| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 39.2 | Very low | 40.8 | Very low | 236 Ų | 236 | 171.7 Ų | 171.7 | 100% | 1.163 | 87% | 0.871 | S | S | * | * | 0 | 72.1 | 0 | -121.1 | -178.2 | -76.4 | 0 | 0 | 106 | |||||
| 2 | W | 40.9 | Very low | 40.1 | Very low | 240 Ų | 240 | 163.9 Ų | 163.9 | 91% | 0.909 | 87% | 0.866 | S | S | * | * | 55.9 | 89.4 | 80 | -78.3 | 82.5 | 0 | 0 | 0 | 114 | |||||
| 3 | L | 45.2 | Very low | 39.6 | Very low | 151 Ų | 151 | 159.2 Ų | 159.2 | 79% | 0.791 | 86% | 0.864 | S | S | * | * | trans | 54.5 | 99.5 | 144.4 | -75.5 | 153.6 | 0 | 0 | 0 | 120.5 | ||||
| 4 | L | 48.2 | Very low | 39.1 | Very low | 162 Ų | 162 | 155.3 Ų | 155.3 | 85% | 0.848 | 86% | 0.864 | S | S | * | * | trans | -84.3 | 165.1 | 148.9 | -93.2 | 124.7 | 0 | 0 | 0 | 110.8 | ||||
| 5 | E | 40.9 | Very low | 39 | Very low | 157 Ų | 157 | 156.5 Ų | 156.5 | 73% | 0.734 | 86% | 0.86 | S | S | * | * | trans | 75.8 | 126.7 | 169.2 | -81.3 | -169.9 | 117.4 | 0 | 0 | 116.4 | ||||
| 6 | K | 42.2 | Very low | 39.2 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 78% | 0.778 | 85% | 0.853 | S | S | * | * | cis | -150.2 | 138.2 | 16.6 | -76.7 | -146 | 166.1 | -174.2 | 0 | 111.9 | ||||
| 7 | A | 44.2 | Very low | 38.8 | Very low | 105 Ų | 105 | 149.9 Ų | 149.9 | 87% | 0.868 | 85% | 0.845 | S | S | * | * | trans | -90.8 | 153.8 | 154.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 8 | G | 38.2 | Very low | 38.6 | Very low | 78 Ų | 78 | 147.3 Ų | 147.3 | 80% | 0.804 | 85% | 0.846 | S | S | * | * | trans | -179.3 | 71.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 9 | Y | 33.4 | Very low | 38.4 | Very low | 229 Ų | 229 | 152.2 Ų | 152.2 | 90% | 0.898 | 85% | 0.849 | S | S | * | * | trans | -66.3 | 140.8 | 161.2 | -95.2 | -101.7 | 0 | 0 | 0 | 110.9 | ||||
| 10 | K | 37.6 | Very low | 38 | Very low | 200 Ų | 200 | 157.9 Ų | 157.9 | 87% | 0.87 | 86% | 0.857 | S | S | * | * | 163.2 | 154.8 | 108.8 | -83.7 | -156 | 179.7 | -176 | 0 | 114.9 | |||||
| 11 | V | 38.8 | Very low | 38 | Very low | 152 Ų | 152 | 154.5 Ų | 154.5 | 92% | 0.921 | 85% | 0.851 | S | S | * | * | trans | -55.2 | 149 | 178.1 | 166.9 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 12 | G | 31.9 | Very low | 37.9 | Very low | 78 Ų | 78 | 149.5 Ų | 149.5 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -175.1 | 136.4 | 161.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 13 | A | 34.3 | Very low | 37.7 | Very low | 103 Ų | 103 | 144 Ų | 144 | 85% | 0.851 | 83% | 0.834 | S | S | * | * | trans | -98.6 | 172.5 | -164.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 14 | A | 32.1 | Very low | 37.1 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 86% | 0.86 | 83% | 0.825 | S | S | * | * | trans | 95.5 | 120.7 | 153 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 15 | E | 37.9 | Very low | 36.7 | Very low | 173 Ų | 173 | 139.8 Ų | 139.8 | 81% | 0.808 | 83% | 0.826 | S | S | * | * | trans | -43 | 166.4 | 160.6 | -80.9 | -79.1 | 139.8 | 0 | 0 | 115 | ||||
| 16 | P | 42.3 | Very low | 36.5 | Very low | 114 Ų | 114 | 142.1 Ų | 142.1 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | cis | -148 | 166.5 | 37.7 | 39 | -16.4 | 0 | 0 | 0 | 120.2 | ||||
| 17 | A | 32.3 | Very low | 36.3 | Very low | 87 Ų | 87 | 139.5 Ų | 139.5 | 72% | 0.719 | 84% | 0.838 | S | S | * | * | trans | 58.3 | 107.8 | 143.2 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 18 | A | 34.6 | Very low | 36.1 | Very low | 104 Ų | 104 | 144 Ų | 144 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | trans | -145.2 | 121.5 | 138.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 19 | R | 35.3 | Very low | 36.1 | Very low | 239 Ų | 239 | 152 Ų | 152 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | trans | -56 | 141.9 | 178.7 | -60.7 | 165.5 | -177.7 | -176.9 | -1.5 | 110.8 | ||||
| 20 | W | 31.6 | Very low | 36.2 | Very low | 266 Ų | 266 | 152.8 Ų | 152.8 | 100% | 1.008 | 85% | 0.845 | S | S | * | * | trans | -148.1 | 138.7 | 138 | -92.6 | -0.5 | 0 | 0 | 0 | 110.9 | ||||
| 21 | A | 37.1 | Very low | 36.7 | Very low | 88 Ų | 88 | 147.4 Ų | 147.4 | 73% | 0.727 | 84% | 0.838 | S | S | * | * | trans | -83.7 | 161.3 | -162.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | P | 36.7 | Very low | 37 | Very low | 131 Ų | 131 | 146.6 Ų | 146.6 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | trans | -84.9 | 120.1 | 173.2 | 32.2 | -29.2 | 0 | 0 | 0 | 111.1 | G24 | P22-G24 PolarHBondContact O-N 3.24Š| ||
| 23 | S | 37.5 | Very low | 37.5 | Very low | 124 Ų | 124 | 145.8 Ų | 145.8 | 87% | 0.867 | 83% | 0.827 | S | S | * | * | trans | -79.6 | 103.1 | 171 | -20.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 24 | G | 33.2 | Very low | 38.3 | Very low | 58 Ų | 58 | 146.8 Ų | 146.8 | 60% | 0.598 | 83% | 0.825 | S | S | * | * | trans | -75.7 | 129.8 | 163 | 0 | 0 | 0 | 0 | 0 | 110.6 | P22 | P22-G24 PolarHBondContact O-N 3.24Š| ||
| 25 | L | 37.8 | Very low | 39.3 | Very low | 167 Ų | 167 | 147.8 Ų | 147.8 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | trans | -130.9 | 92.5 | 154.3 | -74.1 | 177.9 | 0 | 0 | 0 | 108.1 | S27 | L25-S27 PolarHBondContact O-N 3.23Š| ||
| 26 | F | 38 | Very low | 39.8 | Very low | 206 Ų | 206 | 145.1 Ų | 145.1 | 90% | 0.904 | 82% | 0.824 | S | S | * | * | trans | -56.3 | 117.2 | 168 | -71.7 | -88.3 | 0 | 0 | 0 | 109.9 | K28 | F26-K28 PolarHBondContact O-N 3.16Š| ||
| 27 | S | 37.4 | Very low | 40.4 | Very low | 123 Ų | 123 | 143 Ų | 143 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -82.4 | 114.5 | 162.1 | -70.4 | 0 | 0 | 0 | 0 | 109.2 | L25 | L25-S27 PolarHBondContact O-N 3.23Š| ||
| 28 | K | 39.7 | Very low | 41.7 | Very low | 201 Ų | 201 | 143.6 Ų | 143.6 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -49.1 | 127.3 | 179.8 | -163.2 | 168.9 | -177.4 | 174.7 | 0 | 112.3 | F26 R30 | F26-K28 PolarHBondContact O-N 3.16Å; K28-R30 PolarHBondContact O-N 3.4Å | ||
| 29 | R | 38.8 | Very low | 42.5 | Very low | 245 Ų | 245 | 141.9 Ų | 141.9 | 93% | 0.925 | 80% | 0.797 | S | S | * | * | trans | -55.3 | 118.9 | 169 | -166.7 | -174 | -65.2 | -106.2 | 3.2 | 109.3 | ||||
| 30 | R | 36.5 | Very low | 43.6 | Very low | 245 Ų | 245 | 135.6 Ų | 135.6 | 93% | 0.925 | 79% | 0.788 | S | S | * | * | trans | -117.5 | 131.8 | 169.8 | -159.5 | 176 | -172.8 | -170.4 | 1.3 | 109.1 | K28 | K28-R30 PolarHBondContact O-N 3.4Š| ||
| 31 | A | 46.5 | Very low | 45 | Very low | 88 Ų | 88 | 130.2 Ų | 130.2 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 161.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 32 | P | 44.7 | Very low | 46.5 | Very low | 135 Ų | 135 | 130 Ų | 130 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 126.8 | -162.5 | 31 | -32.9 | 0 | 0 | 0 | 112.7 | ||
| 33 | G | 42.4 | Very low | 47.4 | Very low | 60 Ų | 60 | 130.2 Ų | 130.2 | 62% | 0.619 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 159.9 | 162.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 34 | P | 52.6 | Low | 48.5 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 81% | 0.805 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -68 | 142.6 | -171.6 | 28 | -33.4 | 0 | 0 | 0 | 111.7 | S36 | P34-S36 PolarHBondContact O-N 3.1Š|
| 35 | P | 51.8 | Low | 49.7 | Very low | 126 Ų | 126 | 129.6 Ų | 129.6 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | trans | -75.2 | 115.1 | -179.4 | 29 | -32.3 | 0 | 0 | 0 | 110.9 | S37 | P35-S37 PolarHBondContact O-N 2.75Š| ||
| 36 | S | 49.3 | Very low | 50.7 | Low | 117 Ų | 117 | 128.7 Ų | 128.7 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -66.3 | 107.4 | 159.4 | 49.3 | 0 | 0 | 0 | 0 | 108.6 | P34 A38 | P34-S36 PolarHBondContact O-N 3.1Å; S36-A38 PolarHBondContact O-N 2.95Å | ||
| 37 | S | 53.8 | Low | 51.9 | Low | 69 Ų | 69 | 124.7 Ų | 124.7 | 48% | 0.483 | 72% | 0.717 | S | S | . | * | trans | -71.7 | 113.5 | -179.5 | 82 | 0 | 0 | 0 | 0 | 110.3 | P35 C39 R47 | P35-S37 PolarHBondContact O-N 2.75Å; S37-C39 PolarHBondContact O-N 2.91Å; S37-C39 VanDerWaalsContact O-N 3.07Å; S37-R47 PolarHBondContact OG-NH2 3.35Å | ||
| 38 | A | 60 | Low | 53.3 | Low | 100 Ų | 100 | 122.4 Ų | 122.4 | 83% | 0.826 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -79.6 | 35.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | S36 | S36-A38 PolarHBondContact O-N 2.95Š|
| 39 | C | 52 | Low | 54.6 | Low | 67 Ų | 67 | 116.5 Ų | 116.5 | 45% | 0.453 | 68% | 0.677 | S | S | . | * | trans | -146.9 | 104.3 | 174.3 | -54 | 0 | 0 | 0 | 0 | 109.5 | S37 N41 V42 R47 | S37-C39 PolarHBondContact O-N 2.91Å; S37-C39 VanDerWaalsContact O-N 3.07Å; C39-N41 PolarHBondContact O-N 3.3Å; C39-V42 HydrophobicContact CB-CB 4.36Å; C39-V42 HydrophobicContact CB-CG2 3.68Å; C39-R47 PolarHBondContact O-NH1 2.95Å | ||
| 40 | P | 59 | Low | 55.7 | Low | 108 Ų | 108 | 113.5 Ų | 113.5 | 70% | 0.701 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -13.8 | 178 | 26 | -32.1 | 0 | 0 | 0 | 113.6 | ||
| 41 | N | 60.7 | Low | 57.2 | Low | 153 Ų | 153 | 110.8 Ų | 110.8 | 82% | 0.818 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.1 | 14.5 | -170.8 | -61.4 | -20.1 | 0 | 0 | 0 | 114.7 | C39 | C39-N41 PolarHBondContact O-N 3.3Š|
| 42 | V | 68.2 | Low | 57.7 | Low | 83 Ų | 83 | 114 Ų | 114 | 50% | 0.503 | 67% | 0.667 | S | S | . | * | trans | -100.4 | 112.2 | 173.6 | -178.7 | 0 | 0 | 0 | 0 | 107.9 | C39 T44 | C39-V42 HydrophobicContact CB-CB 4.36Å; C39-V42 HydrophobicContact CB-CG2 3.68Å; V42-T44 PolarHBondContact O-N 3.25Å | ||
| 43 | L | 56.4 | Low | 58.9 | Low | 135 Ų | 135 | 112 Ų | 112 | 71% | 0.707 | 65% | 0.648 | S | S | * | * | trans | -73.6 | 94.6 | 174.2 | -67.7 | 172.3 | 0 | 0 | 0 | 108.8 | ||||
| 44 | T | 59.4 | Low | 60 | Low | 60 Ų | 60 | 114.2 Ų | 114.2 | 37% | 0.368 | 65% | 0.651 | S | S | . | * | trans | -74.6 | 157.1 | 160.2 | 52 | 0 | 0 | 0 | 0 | 109.2 | V42 D46 R47 | V42-T44 PolarHBondContact O-N 3.25Å; T44-D46 PolarHBondContact O-N 3.41Å; T44-R47 PolarHBondContact O-N 3.37Å | ||
| 45 | P | 59 | Low | 60.6 | Low | 109 Ų | 109 | 114.1 Ų | 114.1 | 71% | 0.708 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -51.2 | -26.8 | -179.8 | -26.3 | 34.3 | 0 | 0 | 0 | 113.8 | ||
| 46 | D | 59.3 | Low | 60.9 | Low | 149 Ų | 149 | 119.4 Ų | 119.4 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -85.9 | -1 | -176.2 | -44.4 | -54.7 | 0 | 0 | 0 | 114.7 | T44 | T44-D46 PolarHBondContact O-N 3.41Š|
| 47 | R | 62.1 | Low | 61.4 | Low | 121 Ų | 121 | 121.4 Ų | 121.4 | 46% | 0.457 | 66% | 0.655 | S | S | . | * | G | 310 helix | trans | -116 | 9.2 | -179.6 | -77.5 | -170.2 | -178 | 161 | 9.2 | 114.5 | S37 C39 T44 P49 | S37-R47 PolarHBondContact OG-NH2 3.35Å; C39-R47 PolarHBondContact O-NH1 2.95Å; T44-R47 PolarHBondContact O-N 3.37Å; R47-P49 WeakPolarHBondContact O-CD 3.33Å |
| 48 | I | 67.1 | Low | 61.5 | Low | 75 Ų | 75 | 123.8 Ų | 123.8 | 39% | 0.385 | 67% | 0.669 | S | S | . | * | trans | -75.2 | 120.7 | 176.9 | -59 | 174.9 | 0 | 0 | 0 | 108.4 | Q50 F52 I53 | I48-Q50 PolarHBondContact O-N 3.48Å; I48-F52 HydrophobicContact CG2-CB 3.62Å; I48-I53 HydrophobicContact CG2-CG1 4.07Å | ||
| 49 | P | 67.8 | Low | 61.1 | Low | 78 Ų | 78 | 126.4 Ų | 126.4 | 51% | 0.506 | 67% | 0.669 | S | S | . | * | trans | -58 | 137.8 | 172.4 | -20.4 | 32 | 0 | 0 | 0 | 109.8 | R47 F51 F52 | R47-P49 WeakPolarHBondContact O-CD 3.33Å; P49-F51 PolarHBondContact O-N 3.29Å; P49-F52 PolarHBondContact O-N 2.78Å | ||
| 50 | Q | 60.9 | Low | 60.7 | Low | 181 Ų | 181 | 129.6 Ų | 129.6 | 85% | 0.846 | 69% | 0.689 | S | S | * | * | G | 310 helix | trans | -52.3 | -22.8 | -176 | -78.3 | 179.3 | -18 | 0 | 0 | 114.3 | I48 F52 I53 | I48-Q50 PolarHBondContact O-N 3.48Å; Q50-F52 PolarHBondContact O-N 2.75Å; Q50-I53 PolarHBondContact O-N 2.77Å |
| 51 | F | 69.3 | Low | 59.8 | Low | 188 Ų | 188 | 127.8 Ų | 127.8 | 83% | 0.825 | 69% | 0.69 | S | S | * | * | G | 310 helix | trans | -62.3 | -25.5 | 175 | -170.9 | -100.2 | 0 | 0 | 0 | 114.3 | P49 | P49-F51 PolarHBondContact O-N 3.29Š|
| 52 | F | 56.4 | Low | 58.6 | Low | 157 Ų | 157 | 124.5 Ų | 124.5 | 69% | 0.689 | 69% | 0.692 | S | S | * | * | G | 310 helix | trans | -93.8 | 1.1 | 179.2 | -76.9 | -85.5 | 0 | 0 | 0 | 113.8 | I48 P49 Q50 | I48-F52 HydrophobicContact CG2-CB 3.62Å; P49-F52 PolarHBondContact O-N 2.78Å; Q50-F52 PolarHBondContact O-N 2.75Å |
| 53 | I | 70.1 | Confident | 57.1 | Low | 92 Ų | 92 | 125.2 Ų | 125.2 | 47% | 0.472 | 71% | 0.707 | S | S | . | * | S | Bend | trans | -101.8 | 113.5 | 174.7 | -56.8 | 175.2 | 0 | 0 | 0 | 106.9 | I48 Q50 | I48-I53 HydrophobicContact CG2-CG1 4.07Å; Q50-I53 PolarHBondContact O-N 2.77Å |
| 54 | P | 65 | Low | 56.4 | Low | 106 Ų | 106 | 127.7 Ų | 127.7 | 69% | 0.688 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 137.3 | 175.2 | -21.7 | 31.4 | 0 | 0 | 0 | 110.1 | R56 | P54-R56 PolarHBondContact O-N 3.3Š|
| 55 | P | 64.3 | Low | 55.7 | Low | 122 Ų | 122 | 130 Ų | 130 | 79% | 0.792 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 131.2 | 176.3 | 25.3 | -32.6 | 0 | 0 | 0 | 109 | L57 | P55-L57 PolarHBondContact O-N 2.86Š|
| 56 | R | 59.6 | Low | 54.6 | Low | 237 Ų | 237 | 129.1 Ų | 129.1 | 89% | 0.894 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 123.9 | 174 | -66.8 | -159.1 | 177.5 | -173.9 | 1.5 | 108.6 | P54 | P54-R56 PolarHBondContact O-N 3.3Š|
| 57 | L | 58.8 | Low | 53.4 | Low | 160 Ų | 160 | 128.4 Ų | 128.4 | 84% | 0.838 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 134.5 | 169.2 | -68.1 | 165.7 | 0 | 0 | 0 | 108.3 | P55 D59 | P55-L57 PolarHBondContact O-N 2.86Å; L57-D59 PolarHBondContact O-N 3Å |
| 58 | P | 55.8 | Low | 52.1 | Low | 119 Ų | 119 | 133.8 Ų | 133.8 | 77% | 0.773 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 125.1 | 173.5 | 24.9 | -30 | 0 | 0 | 0 | 109.8 | ||
| 59 | D | 51.4 | Low | 50.5 | Low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 128 | 164.5 | -79.6 | -38.6 | 0 | 0 | 0 | 108.8 | L57 G61 | L57-D59 PolarHBondContact O-N 3Å; D59-G61 PolarHBondContact O-N 3.12Å |
| 60 | P | 45.1 | Very low | 48.9 | Very low | 134 Ų | 134 | 144.9 Ų | 144.9 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -78.5 | 92.6 | 172.3 | 31.7 | -29.1 | 0 | 0 | 0 | 107.9 | ||
| 61 | G | 39.5 | Very low | 47.7 | Very low | 70 Ų | 70 | 143.4 Ų | 143.4 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | 175.8 | 50.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | D59 A63 | D59-G61 PolarHBondContact O-N 3.12Å; G61-A63 PolarHBondContact O-N 2.97Å | ||
| 62 | G | 35.5 | Very low | 46.1 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -72.6 | 121 | 167.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 63 | A | 37 | Very low | 45 | Very low | 99 Ų | 99 | 135.2 Ų | 135.2 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -149.6 | 101.8 | 151.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | G61 | G61-A63 PolarHBondContact O-N 2.97Š| ||
| 64 | E | 41.8 | Very low | 43.6 | Very low | 186 Ų | 186 | 143.2 Ų | 143.2 | 87% | 0.869 | 82% | 0.822 | S | S | * | * | trans | -77.9 | 168.4 | 171 | -91.9 | -71.9 | 107.6 | 0 | 0 | 111 | ||||
| 65 | P | 43.7 | Very low | 42.1 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 70% | 0.701 | 83% | 0.826 | S | S | * | * | trans | -99.7 | 157.2 | -138.4 | 37.7 | -37.8 | 0 | 0 | 0 | 114.3 | ||||
| 66 | A | 36.4 | Very low | 41.2 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 75% | 0.752 | 83% | 0.832 | S | S | * | * | trans | -119.6 | 111.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | T | 34.2 | Very low | 40.8 | Very low | 135 Ų | 135 | 139 Ų | 139 | 83% | 0.828 | 83% | 0.828 | S | S | * | * | trans | 45.8 | 114.7 | 142.5 | 46.1 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 68 | R | 34.1 | Very low | 40 | Very low | 234 Ų | 234 | 135.9 Ų | 135.9 | 88% | 0.883 | 83% | 0.826 | S | S | * | * | trans | -37.6 | 135.2 | 154.5 | -92.7 | 179.2 | 160.2 | -178.8 | -5.6 | 114.1 | ||||
| 69 | R | 33 | Very low | 39.1 | Very low | 245 Ų | 245 | 134.9 Ų | 134.9 | 93% | 0.925 | 83% | 0.827 | S | S | * | * | -159.1 | 136.2 | 123.1 | -114.9 | 174.7 | -177.6 | 164.3 | 0.8 | 111.2 | |||||
| 70 | D | 34.7 | Very low | 38.8 | Very low | 141 Ų | 141 | 133.8 Ų | 133.8 | 75% | 0.754 | 83% | 0.83 | S | S | * | * | trans | -61.4 | 152 | -178.7 | -55.3 | -69.5 | 0 | 0 | 0 | 113.4 | ||||
| 71 | V | 35.6 | Very low | 38.5 | Very low | 149 Ų | 149 | 133 Ų | 133 | 90% | 0.903 | 83% | 0.828 | S | S | * | * | -175.8 | 142.7 | 127.7 | 151.9 | 0 | 0 | 0 | 0 | 109.6 | |||||
| 72 | A | 37 | Very low | 39.1 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 84% | 0.843 | 83% | 0.833 | S | S | * | * | trans | -55.2 | 156.5 | -167.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 73 | G | 33.2 | Very low | 40 | Very low | 72 Ų | 72 | 139 Ų | 139 | 74% | 0.742 | 83% | 0.83 | S | S | * | * | trans | 148.3 | 106.6 | 146.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 74 | R | 39.3 | Very low | 40.1 | Very low | 260 Ų | 260 | 143.2 Ų | 143.2 | 98% | 0.981 | 83% | 0.832 | S | S | * | * | trans | 53.2 | 126.1 | 142.6 | -94.2 | 176.2 | -174.1 | -107.9 | 0.5 | 121.3 | ||||
| 75 | G | 34.4 | Very low | 40.4 | Very low | 74 Ų | 74 | 143 Ų | 143 | 76% | 0.763 | 84% | 0.836 | S | S | * | * | 120.1 | 107.8 | 128.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 76 | L | 44.9 | Very low | 40.1 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 85% | 0.845 | S | S | * | * | trans | -71.6 | 150.9 | 153 | -67.6 | 167.8 | 0 | 0 | 0 | 108.7 | ||||
| 77 | P | 51.5 | Low | 40 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 81% | 0.812 | 85% | 0.848 | S | S | * | * | -143.1 | 147.9 | 108.7 | 34.8 | -19.6 | 0 | 0 | 0 | 114.9 | |||||
| 78 | A | 43 | Very low | 40.4 | Very low | 96 Ų | 96 | 145.8 Ų | 145.8 | 79% | 0.793 | 85% | 0.845 | S | S | * | * | trans | -81 | 144 | 150.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 79 | A | 35.8 | Very low | 40.9 | Very low | 98 Ų | 98 | 141.7 Ų | 141.7 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | 172.9 | 148 | 136 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 80 | C | 44.7 | Very low | 41.4 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 89% | 0.885 | 82% | 0.824 | S | S | * | * | trans | -61.5 | 150.8 | 172.5 | -42.6 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 81 | S | 40.3 | Very low | 41.5 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 83% | 0.825 | 83% | 0.834 | S | S | * | * | trans | -158.2 | 99.8 | 153.4 | 37.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 82 | L | 51.8 | Low | 42 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 83% | 0.827 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 135.8 | 155.7 | -76.8 | 165.4 | 0 | 0 | 0 | 107.7 | ||
| 83 | P | 53.8 | Low | 42.2 | Very low | 122 Ų | 122 | 139.9 Ų | 139.9 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 129.2 | 177.1 | 29.9 | -30.4 | 0 | 0 | 0 | 111.2 | ||
| 84 | H | 39.8 | Very low | 43.5 | Very low | 187 Ų | 187 | 143.8 Ų | 143.8 | 87% | 0.866 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 130.9 | 168.4 | -65 | -78.5 | 0 | 0 | 0 | 110.5 | ||
| 85 | L | 46.4 | Very low | 43.8 | Very low | 181 Ų | 181 | 137.5 Ų | 137.5 | 95% | 0.948 | 82% | 0.819 | S | S | * | * | trans | -109.1 | 104.5 | 159.2 | -76 | 174.9 | 0 | 0 | 0 | 108.4 | ||||
| 86 | A | 37.5 | Very low | 44.4 | Very low | 107 Ų | 107 | 142 Ų | 142 | 88% | 0.884 | 82% | 0.821 | S | S | * | * | trans | -100.2 | 116.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 87 | G | 36 | Very low | 44.6 | Very low | 79 Ų | 79 | 138.2 Ų | 138.2 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | -127.9 | 128.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 88 | R | 41.1 | Very low | 44.9 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 78% | 0.777 | 81% | 0.812 | S | S | * | * | trans | -93.3 | 154.1 | -168.4 | -161.7 | 170.6 | 159.3 | -102.8 | 7.9 | 109.4 | ||||
| 89 | E | 45.2 | Very low | 45.1 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 69% | 0.692 | 81% | 0.814 | S | S | * | * | S | Bend | trans | 59.5 | 106.2 | 172.5 | 47.6 | -105.3 | 142.1 | 0 | 0 | 121.5 | ||
| 90 | G | 42.7 | Very low | 46 | Very low | 65 Ų | 65 | 144.5 Ų | 144.5 | 67% | 0.67 | 82% | 0.815 | S | S | * | * | trans | 98.1 | 101.2 | 130 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 91 | W | 37.7 | Very low | 46.2 | Very low | 257 Ų | 257 | 148.7 Ų | 148.7 | 97% | 0.973 | 81% | 0.812 | S | S | * | * | trans | 74.1 | 120.8 | 152.9 | -58 | 80.8 | 0 | 0 | 0 | 120.6 | ||||
| 92 | A | 45.7 | Very low | 47 | Very low | 77 Ų | 77 | 154.8 Ų | 154.8 | 64% | 0.636 | 82% | 0.817 | S | S | * | * | trans | 44.3 | 121.6 | 151.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 93 | F | 42.4 | Very low | 46.9 | Very low | 200 Ų | 200 | 156.7 Ų | 156.7 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | 177.5 | 112.5 | 116.1 | -92.4 | -71.4 | 0 | 0 | 0 | 108.3 | P95 | F93-P95 WeakPolarHBondContact O-CD 3.48Š| |||
| 94 | L | 59.3 | Low | 46.9 | Very low | 155 Ų | 155 | 159.2 Ų | 159.2 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -71.9 | 126.9 | 160.1 | -66.6 | 168 | 0 | 0 | 0 | 107.3 | E96 | L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.22Å; L94-E96 VanDerWaalsContact O-N 3.1Å | ||
| 95 | P | 46.2 | Very low | 47.6 | Very low | 127 Ų | 127 | 155.5 Ų | 155.5 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -78.8 | 89.2 | 157.2 | 28.4 | -26.7 | 0 | 0 | 0 | 108.1 | F93 | F93-P95 WeakPolarHBondContact O-CD 3.48Š| ||
| 96 | E | 46.3 | Very low | 48.1 | Very low | 170 Ų | 170 | 153.2 Ų | 153.2 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -46.4 | 141.7 | 157.7 | -164.6 | 92.9 | -158.5 | 0 | 0 | 110.1 | L94 | L94-E96 VanDerWaalsContact C-N 3.27Å; L94-E96 PolarHBondContact O-N 3.22Å; L94-E96 VanDerWaalsContact O-N 3.1Å | ||
| 97 | S | 48.6 | Very low | 48.8 | Very low | 95 Ų | 95 | 157.7 Ų | 157.7 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | trans | -66.5 | 149.7 | -170.1 | -43.8 | 0 | 0 | 0 | 0 | 114.5 | H99 | S97-H99 PolarHBondContact O-N 3.24Š| ||
| 98 | P | 59.6 | Low | 49.2 | Very low | 137 Ų | 137 | 162.2 Ų | 162.2 | 89% | 0.89 | 80% | 0.797 | S | S | * | * | trans | -76.9 | 88.8 | 164.6 | -5.9 | 23.2 | 0 | 0 | 0 | 110.2 | ||||
| 99 | H | 46.6 | Very low | 49.4 | Very low | 179 Ų | 179 | 156.7 Ų | 156.7 | 83% | 0.829 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -83 | 123.3 | 162.6 | -138.1 | 78.9 | 0 | 0 | 0 | 108.4 | S97 R101 | S97-H99 PolarHBondContact O-N 3.24Å; H99-R101 PolarHBondContact O-N 2.73Å |
| 100 | T | 54.4 | Low | 49.6 | Very low | 136 Ų | 136 | 155.4 Ų | 155.4 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 127.9 | 170.2 | 49.2 | 0 | 0 | 0 | 0 | 109.8 | ||
| 101 | R | 49.5 | Very low | 49.9 | Very low | 219 Ų | 219 | 158 Ų | 158 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 119.7 | -173 | 178.8 | -172.4 | -174.8 | -154.8 | 3.7 | 112.5 | H99 | H99-R101 PolarHBondContact O-N 2.73Š|
| 102 | R | 56.8 | Low | 50.4 | Low | 246 Ų | 246 | 151.7 Ų | 151.7 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -146.8 | 106.7 | 135.7 | -129.7 | 179 | -172.6 | -176.5 | 1.6 | 110.2 | ||||
| 103 | R | 49 | Very low | 50.2 | Low | 198 Ų | 198 | 152.9 Ų | 152.9 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -58.8 | 142.4 | 162.5 | -53.5 | 171.5 | 90.8 | -168.3 | 6.7 | 106 | ||||
| 104 | E | 55.2 | Low | 50.3 | Low | 175 Ų | 175 | 149.4 Ų | 149.4 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | -150.2 | 154 | 62.5 | 47 | -93.5 | 157.9 | 0 | 0 | 115 | |||||
| 105 | S | 54.1 | Low | 49.4 | Very low | 108 Ų | 108 | 147 Ų | 147 | 76% | 0.755 | 81% | 0.806 | S | S | * | * | trans | -84.3 | 124.7 | 175 | 147.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 106 | L | 57.2 | Low | 48.8 | Very low | 133 Ų | 133 | 145 Ų | 145 | 70% | 0.696 | 81% | 0.809 | S | S | * | * | trans | -138.3 | 61.7 | 168 | -92 | 169.4 | 0 | 0 | 0 | 111 | ||||
| 107 | F | 52 | Low | 48 | Very low | 202 Ų | 202 | 140.8 Ų | 140.8 | 89% | 0.886 | 81% | 0.811 | S | S | * | * | trans | -110.7 | 109 | 153.7 | -70.9 | -72.6 | 0 | 0 | 0 | 108 | ||||
| 108 | H | 43 | Very low | 47.6 | Very low | 174 Ų | 174 | 144.3 Ų | 144.3 | 81% | 0.806 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 125.3 | 169.1 | -75.5 | -77.2 | 0 | 0 | 0 | 109.7 | ||
| 109 | A | 47 | Very low | 47.1 | Very low | 89 Ų | 89 | 143.4 Ų | 143.4 | 74% | 0.736 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 157.5 | 157.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 110 | P | 49 | Very low | 46.4 | Very low | 122 Ų | 122 | 139.6 Ų | 139.6 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -86.8 | 157 | -163.6 | 35.5 | -33.9 | 0 | 0 | 0 | 113.2 | ||
| 111 | P | 49 | Very low | 45.4 | Very low | 120 Ų | 120 | 137.3 Ų | 137.3 | 78% | 0.779 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 160.9 | 171.9 | 34.9 | -30.7 | 0 | 0 | 0 | 112.8 | ||
| 112 | P | 48.1 | Very low | 45.1 | Very low | 124 Ų | 124 | 136 Ų | 136 | 81% | 0.805 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 162.4 | -173.8 | 34.3 | -34.6 | 0 | 0 | 0 | 113.2 | ||
| 113 | A | 41.3 | Very low | 44 | Very low | 101 Ų | 101 | 129.9 Ų | 129.9 | 84% | 0.835 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 147.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 114 | P | 44.6 | Very low | 43.5 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | trans | -117.4 | 149.7 | 153.2 | 34.7 | -23.1 | 0 | 0 | 0 | 112.7 | ||||
| 115 | A | 38.9 | Very low | 42.5 | Very low | 103 Ų | 103 | 131.5 Ų | 131.5 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | trans | -78.4 | 148.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 116 | G | 34.2 | Very low | 41.6 | Very low | 85 Ų | 85 | 134.7 Ų | 134.7 | 88% | 0.876 | 82% | 0.821 | S | S | * | * | trans | 82.9 | 123.6 | 145.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 117 | G | 30.5 | Very low | 40.6 | Very low | 83 Ų | 83 | 134.9 Ų | 134.9 | 86% | 0.856 | 83% | 0.828 | S | S | * | * | trans | 126.3 | 103.2 | 153.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 118 | L | 39 | Very low | 39.8 | Very low | 169 Ų | 169 | 130.3 Ų | 130.3 | 89% | 0.885 | 82% | 0.821 | S | S | * | * | trans | -73.5 | -178.1 | 170.2 | -67.3 | 164.1 | 0 | 0 | 0 | 112.1 | ||||
| 119 | P | 49 | Very low | 39.7 | Very low | 117 Ų | 117 | 126 Ų | 126 | 76% | 0.76 | 82% | 0.816 | S | S | * | * | -132.3 | 166.5 | -53.1 | 36.9 | -21.4 | 0 | 0 | 0 | 112.5 | |||||
| 120 | A | 32.3 | Very low | 39.4 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 82% | 0.819 | S | S | * | * | trans | 147.2 | 150.9 | 139.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 121 | A | 33.2 | Very low | 38.8 | Very low | 88 Ų | 88 | 128 Ų | 128 | 73% | 0.727 | 81% | 0.814 | S | S | * | * | trans | 81.7 | 91.9 | 158.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 122 | Q | 42.8 | Very low | 38.5 | Very low | 191 Ų | 191 | 130.4 Ų | 130.4 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | 39.6 | 112.1 | 128.1 | -56.8 | -178.1 | 10.6 | 0 | 0 | 118.8 | |||||
| 123 | S | 35.7 | Very low | 38.2 | Very low | 117 Ų | 117 | 134.6 Ų | 134.6 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -150.6 | 88.7 | 154.7 | -63.6 | 0 | 0 | 0 | 0 | 109.7 | L125 | S123-L125 PolarHBondContact O-N 3.06Š| ||
| 124 | R | 37 | Very low | 38 | Very low | 239 Ų | 239 | 137.6 Ų | 137.6 | 90% | 0.902 | 82% | 0.821 | S | S | * | * | trans | -70.6 | 117.6 | 167.2 | -72.1 | 178.5 | 172.9 | -177.7 | -1.8 | 107.9 | H126 | R124-H126 PolarHBondContact O-N 3.14Š| ||
| 125 | L | 35.5 | Very low | 37.5 | Very low | 169 Ų | 169 | 137.6 Ų | 137.6 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | trans | -78.3 | 108.7 | 169.2 | -72.7 | 171.7 | 0 | 0 | 0 | 109 | S123 V127 | S123-L125 PolarHBondContact O-N 3.06Å; L125-V127 PolarHBondContact O-N 3.49Å | ||
| 126 | H | 34.7 | Very low | 37.4 | Very low | 174 Ų | 174 | 144.5 Ų | 144.5 | 81% | 0.806 | 83% | 0.826 | S | S | * | * | trans | -66.2 | 110.9 | 173.5 | -122.8 | -102.9 | 0 | 0 | 0 | 109.2 | R124 | R124-H126 PolarHBondContact O-N 3.14Š| ||
| 127 | V | 35.4 | Very low | 37.4 | Very low | 137 Ų | 137 | 145 Ų | 145 | 83% | 0.83 | 82% | 0.822 | S | S | * | * | trans | -92.8 | 112.8 | 160.3 | 176.3 | 0 | 0 | 0 | 0 | 106.1 | L125 A129 | L125-V127 PolarHBondContact O-N 3.49Å; V127-A129 PolarHBondContact O-N 2.99Å | ||
| 128 | S | 35.1 | Very low | 38.3 | Very low | 106 Ų | 106 | 146.7 Ų | 146.7 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | trans | -63.3 | 112.9 | -179.9 | -54.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 129 | A | 41.9 | Very low | 38.5 | Very low | 84 Ų | 84 | 146.3 Ų | 146.3 | 69% | 0.694 | 82% | 0.817 | S | S | * | * | trans | -71.9 | 151 | 162.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | V127 D131 | V127-A129 PolarHBondContact O-N 2.99Å; A129-D131 PolarHBondContact O-N 2.74Å | ||
| 130 | P | 39.5 | Very low | 38 | Very low | 124 Ų | 124 | 145.7 Ų | 145.7 | 81% | 0.805 | 82% | 0.815 | S | S | * | * | trans | -71.5 | 117.5 | 165.4 | 29.1 | -29.5 | 0 | 0 | 0 | 109.1 | L132 | P130-L132 PolarHBondContact O-N 3.35Š| ||
| 131 | D | 36 | Very low | 38.5 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 69% | 0.69 | 81% | 0.81 | S | S | * | * | trans | -69.2 | 111.8 | 173.8 | -118.4 | -21.9 | 0 | 0 | 0 | 109.5 | A129 | A129-D131 PolarHBondContact O-N 2.74Š| ||
| 132 | L | 43 | Very low | 39 | Very low | 171 Ų | 171 | 149.2 Ų | 149.2 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -100.7 | 83.6 | 165 | -71.7 | 177.3 | 0 | 0 | 0 | 108.6 | P130 | P130-L132 PolarHBondContact O-N 3.35Š| ||
| 133 | R | 41.7 | Very low | 38.6 | Very low | 211 Ų | 211 | 144.4 Ų | 144.4 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -113.9 | 75.6 | 171.5 | -75.7 | -173.1 | 173.9 | 159.9 | -0.1 | 111.8 | ||||
| 134 | L | 37.6 | Very low | 38.6 | Very low | 165 Ų | 165 | 144.3 Ų | 144.3 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | trans | -154.5 | 108.1 | 152 | -78.1 | 171.8 | 0 | 0 | 0 | 102.6 | ||||
| 135 | C | 35.4 | Very low | 38.7 | Very low | 128 Ų | 128 | 138.4 Ų | 138.4 | 87% | 0.865 | 80% | 0.8 | S | S | * | * | cis | -152.7 | 140.6 | 39.9 | -59.9 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 136 | R | 35 | Very low | 39.2 | Very low | 248 Ų | 248 | 135.7 Ų | 135.7 | 94% | 0.936 | 79% | 0.792 | S | S | * | * | trans | -120.6 | 117.9 | 156.8 | -175.4 | 174.8 | -172.4 | 159.1 | 2 | 107.6 | ||||
| 137 | A | 35.4 | Very low | 39.1 | Very low | 95 Ų | 95 | 134.3 Ų | 134.3 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -153.2 | 149.6 | 154.1 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 138 | P | 48.6 | Very low | 39.1 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | trans | -106.8 | 158 | -134.2 | 30.1 | -17.6 | 0 | 0 | 0 | 114.7 | ||||
| 139 | D | 44.7 | Very low | 39.2 | Very low | 162 Ų | 162 | 133 Ų | 133 | 87% | 0.866 | 79% | 0.788 | S | S | * | * | trans | -70.1 | 139.1 | 164.8 | -57.1 | -53.3 | 0 | 0 | 0 | 111.2 | ||||
| 140 | S | 37.4 | Very low | 39.6 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 79% | 0.79 | S | S | * | * | trans | 148 | 134.5 | 160.6 | -89.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 141 | D | 41.9 | Very low | 39.4 | Very low | 135 Ų | 135 | 138.3 Ų | 138.3 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | cis | -167.9 | 148.8 | -1.7 | -103.2 | -47.7 | 0 | 0 | 0 | 107.5 | ||||
| 142 | T | 44.4 | Very low | 39.2 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | trans | 44.9 | 145.6 | 142.3 | -23.2 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 143 | A | 34.9 | Very low | 38.9 | Very low | 90 Ų | 90 | 133.2 Ų | 133.2 | 74% | 0.744 | 80% | 0.795 | S | S | * | * | trans | 84.3 | 127.4 | 163.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 144 | S | 34.5 | Very low | 39 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | cis | -171.6 | 140.6 | 22.2 | 31.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 145 | S | 39.5 | Very low | 38.9 | Very low | 115 Ų | 115 | 132.6 Ų | 132.6 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -72.1 | 165.2 | 153.3 | -56.5 | 0 | 0 | 0 | 0 | 109 | ||||
| 146 | P | 46.5 | Very low | 38.8 | Very low | 111 Ų | 111 | 135.1 Ų | 135.1 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | cis | -150.3 | -174.2 | 41.8 | 38.3 | -13.9 | 0 | 0 | 0 | 117.5 | ||||
| 147 | D | 32.5 | Very low | 38.6 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | trans | 62.8 | 123.9 | 159.9 | -75 | -35.4 | 0 | 0 | 0 | 118.7 | ||||
| 148 | S | 35.5 | Very low | 38.6 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | -167.2 | 137.9 | 64.6 | -56 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 149 | S | 37.3 | Very low | 37.8 | Very low | 105 Ų | 105 | 129.5 Ų | 129.5 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -72.6 | 151.9 | 155.1 | -166.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 150 | P | 50.1 | Low | 37.2 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | -148.8 | 145.1 | 105.4 | 32.7 | -13.6 | 0 | 0 | 0 | 116.3 | |||||
| 151 | F | 35.4 | Very low | 36.9 | Very low | 206 Ų | 206 | 135.1 Ų | 135.1 | 90% | 0.904 | 80% | 0.8 | S | S | * | * | trans | 28.1 | 134.5 | 137.4 | -76.2 | -92.5 | 0 | 0 | 0 | 122 | ||||
| 152 | G | 32.2 | Very low | 36.4 | Very low | 73 Ų | 73 | 137.5 Ų | 137.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | 147.2 | 82.6 | 141.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 153 | S | 36.3 | Very low | 35.8 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -72.4 | 153.9 | 153 | -60.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 154 | P | 44.2 | Very low | 35.6 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 84% | 0.838 | 81% | 0.806 | S | S | * | * | -143.9 | 160.4 | 100.3 | 33.2 | -15.7 | 0 | 0 | 0 | 115.2 | |||||
| 155 | R | 34.1 | Very low | 35.6 | Very low | 233 Ų | 233 | 143.6 Ų | 143.6 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -90.2 | 175.6 | 171 | -76.9 | -173.2 | 165.1 | -167.1 | -2.4 | 111.6 | ||||
| 156 | L | 34.3 | Very low | 35.7 | Very low | 182 Ų | 182 | 143.4 Ų | 143.4 | 95% | 0.953 | 80% | 0.8 | S | S | * | * | trans | 102.4 | 129.2 | 170.4 | -54.2 | 176.1 | 0 | 0 | 0 | 112.2 | ||||
| 157 | G | 30.8 | Very low | 34.9 | Very low | 73 Ų | 73 | 144.5 Ų | 144.5 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | cis | -176.7 | 170.8 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 158 | L | 35.5 | Very low | 34.8 | Very low | 186 Ų | 186 | 142.3 Ų | 142.3 | 97% | 0.974 | 79% | 0.791 | S | S | * | * | trans | -8.1 | 137.2 | 169.1 | -96.7 | 67.4 | 0 | 0 | 0 | 119.9 | ||||
| 159 | G | 30.7 | Very low | 34.8 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | 177.7 | 121.8 | 156.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 160 | R | 32.7 | Very low | 34.5 | Very low | 216 Ų | 216 | 145 Ų | 145 | 82% | 0.815 | 80% | 0.797 | S | S | * | * | trans | -111.8 | 143.9 | -163.1 | -169.4 | -177.7 | 167.2 | -152.2 | 1.7 | 109.4 | ||||
| 161 | R | 31.4 | Very low | 34.3 | Very low | 167 Ų | 167 | 145.3 Ų | 145.3 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | trans | 82.9 | 137.1 | 143.4 | -104.5 | 177.5 | 148.8 | -171.8 | -2.2 | 122.3 | ||||
| 162 | R | 31.5 | Very low | 34.2 | Very low | 185 Ų | 185 | 142.6 Ų | 142.6 | 70% | 0.698 | 79% | 0.789 | S | S | * | * | trans | 82.2 | 110.1 | 148.2 | -67.1 | -176.8 | -161.6 | -110.8 | 14 | 117.3 | ||||
| 163 | V | 32.5 | Very low | 34.3 | Very low | 135 Ų | 135 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | 60.7 | 115.7 | 90.8 | 177.2 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 164 | S | 30.5 | Very low | 34 | Very low | 120 Ų | 120 | 146.2 Ų | 146.2 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | trans | -178.1 | 108.7 | 137.2 | -73.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 165 | R | 35 | Very low | 33.7 | Very low | 205 Ų | 205 | 145.6 Ų | 145.6 | 77% | 0.774 | 79% | 0.785 | S | S | * | * | trans | -83 | 145.3 | 157.9 | -172.7 | -177.1 | -179.5 | 150.9 | 2.6 | 107.3 | H167 | R165-H167 PolarHBondContact NE-NE2 2.99Š| ||
| 166 | P | 41.7 | Very low | 33.9 | Very low | 112 Ų | 112 | 140.5 Ų | 140.5 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -140.3 | 138.1 | 109.3 | 20.3 | 1.4 | 0 | 0 | 0 | 111.5 | |||||
| 167 | H | 28.1 | Very low | 34.1 | Very low | 133 Ų | 133 | 135.9 Ų | 135.9 | 62% | 0.616 | 77% | 0.773 | S | S | * | * | 46.3 | 115.1 | 93.1 | -59.1 | -71.7 | 0 | 0 | 0 | 111.7 | R165 | R165-H167 PolarHBondContact NE-NE2 2.99Š| |||
| 168 | S | 31.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 139.6 Ų | 139.6 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 172.9 | 141.8 | 80.9 | -85.1 | 0 | 0 | 0 | 0 | 113 | |||||
| 169 | L | 35.4 | Very low | 34.5 | Very low | 165 Ų | 165 | 137.7 Ų | 137.7 | 86% | 0.864 | 77% | 0.772 | S | S | * | * | trans | 76.5 | 112 | 135.9 | -59.9 | 167.9 | 0 | 0 | 0 | 121.7 | ||||
| 170 | S | 30.2 | Very low | 34.8 | Very low | 108 Ų | 108 | 138.1 Ų | 138.1 | 76% | 0.755 | 76% | 0.762 | S | S | * | * | trans | -52.4 | 161.9 | 145.9 | -26.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 171 | P | 46.1 | Very low | 35.5 | Very low | 119 Ų | 119 | 133.6 Ų | 133.6 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | -149.8 | 155.7 | 86.2 | 35.9 | -16 | 0 | 0 | 0 | 117.7 | |||||
| 172 | E | 33.8 | Very low | 35.8 | Very low | 149 Ų | 149 | 133.8 Ų | 133.8 | 70% | 0.696 | 77% | 0.768 | S | S | * | * | trans | 35 | 134.3 | 145.7 | -83.7 | -162.4 | 112.5 | 0 | 0 | 125.6 | ||||
| 173 | K | 33.7 | Very low | 36.3 | Very low | 177 Ų | 177 | 131 Ų | 131 | 77% | 0.77 | 77% | 0.774 | S | S | * | * | trans | 77.6 | 109.9 | 133 | -80.3 | 178.1 | 167.6 | 141.7 | 0 | 120.6 | ||||
| 174 | A | 31.2 | Very low | 36.6 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | 156.5 | 110.8 | 110.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 175 | S | 36.8 | Very low | 37.4 | Very low | 116 Ų | 116 | 139.3 Ų | 139.3 | 81% | 0.811 | 78% | 0.78 | S | S | * | * | 65.3 | 103.1 | 105.2 | -174.2 | 0 | 0 | 0 | 0 | 115.5 | |||||
| 176 | S | 39.3 | Very low | 37.9 | Very low | 125 Ų | 125 | 141 Ų | 141 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | 178.9 | 157.4 | 120.8 | 42.8 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 177 | A | 37.9 | Very low | 38 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -86.7 | 173.2 | -156.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 178 | D | 37 | Very low | 39.3 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 81% | 0.807 | 79% | 0.789 | S | S | * | * | trans | 65.3 | 109.2 | 158.4 | -71.5 | -27.1 | 0 | 0 | 0 | 118.4 | ||||
| 179 | T | 36.4 | Very low | 40.4 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 90% | 0.896 | 79% | 0.793 | S | S | * | * | -165.6 | 123.6 | 106.4 | -31.7 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 180 | S | 37.8 | Very low | 41.4 | Very low | 93 Ų | 93 | 135.6 Ų | 135.6 | 65% | 0.65 | 79% | 0.789 | S | S | * | * | trans | -56.1 | 154.3 | 160.1 | -160.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 181 | P | 47 | Very low | 42.7 | Very low | 121 Ų | 121 | 136.7 Ų | 136.7 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | -146.7 | 166.1 | 59.4 | 32.7 | -7.8 | 0 | 0 | 0 | 117.4 | |||||
| 182 | H | 37.9 | Very low | 43.1 | Very low | 170 Ų | 170 | 135.8 Ų | 135.8 | 79% | 0.787 | 79% | 0.786 | S | S | * | * | trans | -54 | 135.4 | -175.9 | -71.4 | 32.5 | 0 | 0 | 0 | 115.2 | ||||
| 183 | P | 41.6 | Very low | 44.2 | Very low | 127 Ų | 127 | 132.9 Ų | 132.9 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | -82.8 | 114.3 | 156.3 | 29.9 | -26.3 | 0 | 0 | 0 | 109.8 | R185 | P183-R185 PolarHBondContact O-N 3.02Š| ||
| 184 | Q | 40.3 | Very low | 45.1 | Very low | 192 Ų | 192 | 131.2 Ų | 131.2 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | -54.7 | 110.4 | 164.6 | -88.8 | 179.9 | -27.7 | 0 | 0 | 109.4 | R186 | Q184-R186 PolarHBondContact O-N 3.25Š| ||
| 185 | R | 45.6 | Very low | 46.1 | Very low | 237 Ų | 237 | 134.8 Ų | 134.8 | 89% | 0.894 | 78% | 0.777 | S | S | * | * | trans | -65.3 | 98.9 | 167.8 | -168.1 | -174.2 | -69.8 | -145.3 | 1.2 | 107.5 | P183 A187 | P183-R185 PolarHBondContact O-N 3.02Å; R185-A187 PolarHBondContact O-N 3.48Å | ||
| 186 | R | 46.1 | Very low | 46.7 | Very low | 242 Ų | 242 | 134.5 Ų | 134.5 | 91% | 0.913 | 76% | 0.762 | S | S | * | * | trans | -56.1 | 104.5 | 163.9 | -94.6 | -174.7 | -171.8 | -172.2 | 2.4 | 107.5 | Q184 G188 | Q184-R186 PolarHBondContact O-N 3.25Å; R186-G188 VanDerWaalsContact C-N 3.32Å; R186-G188 PolarHBondContact O-N 3.33Å | ||
| 187 | A | 44.4 | Very low | 47.2 | Very low | 98 Ų | 98 | 133.2 Ų | 133.2 | 81% | 0.81 | 75% | 0.745 | S | S | * | * | trans | -69.2 | 92.7 | 167.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | R185 | R185-A187 PolarHBondContact O-N 3.48Š| ||
| 188 | G | 55.1 | Low | 47.7 | Very low | 56 Ų | 56 | 134 Ų | 134 | 58% | 0.577 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 147.4 | 158.2 | 0 | 0 | 0 | 0 | 0 | 109 | R186 | R186-G188 VanDerWaalsContact C-N 3.32Å; R186-G188 PolarHBondContact O-N 3.33Å |
| 189 | P | 55 | Low | 48.2 | Very low | 120 Ų | 120 | 133 Ų | 133 | 78% | 0.779 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 140.9 | -178.6 | 23.4 | -31.7 | 0 | 0 | 0 | 110 | T191 | P189-T191 PolarHBondContact O-N 2.91Å; P189-T191 VanDerWaalsContact O-N 3.11Å |
| 190 | P | 56 | Low | 48.9 | Very low | 121 Ų | 121 | 130.1 Ų | 130.1 | 79% | 0.786 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 119 | -179.9 | 25.8 | -32.1 | 0 | 0 | 0 | 108.5 | P192 | P190-P192 WeakPolarHBondContact O-CD 3.32Å; P190-P192 VanDerWaalsContact O-N 3.17Å |
| 191 | T | 57.3 | Low | 49.4 | Very low | 132 Ų | 132 | 128.3 Ų | 128.3 | 81% | 0.81 | 69% | 0.692 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 119.4 | 164 | 27.1 | 0 | 0 | 0 | 0 | 107.4 | P189 | P189-T191 PolarHBondContact O-N 2.91Å; P189-T191 VanDerWaalsContact O-N 3.11Å |
| 192 | P | 55.8 | Low | 49.4 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 65% | 0.649 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 143.4 | 179.6 | 25 | -31.7 | 0 | 0 | 0 | 108.9 | P190 L194 | P190-P192 WeakPolarHBondContact O-CD 3.32Å; P190-P192 VanDerWaalsContact O-N 3.17Å; P192-L194 PolarHBondContact O-N 2.78Å |
| 193 | P | 55.2 | Low | 49.8 | Very low | 88 Ų | 88 | 125 Ų | 125 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 130.9 | 179.3 | 23.4 | -32.1 | 0 | 0 | 0 | 109.7 | F195 H196 | P193-F195 HydrophobicContact CB-CD2 4.17Å; P193-F195 PolarHBondContact O-N 2.91Å; P193-H196 PolarHBondContact O-N 3Å |
| 194 | L | 54 | Low | 50.4 | Low | 141 Ų | 141 | 125.6 Ų | 125.6 | 74% | 0.738 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -18.9 | -178.1 | -82.6 | 162 | 0 | 0 | 0 | 114.4 | P192 H196 L197 | P192-L194 PolarHBondContact O-N 2.78Å; L194-H196 VanDerWaalsContact C-N 3.25Å; L194-H196 PolarHBondContact O-N 2.68Å; L194-L197 HydrophobicContact CD2-CD1 4.43Å; L194-L197 PolarHBondContact O-N 2.92Å |
| 195 | F | 51.1 | Low | 51.5 | Low | 168 Ų | 168 | 121.6 Ų | 121.6 | 74% | 0.737 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.9 | -18.9 | 176.1 | -54.1 | -67.4 | 0 | 0 | 0 | 114.2 | P193 L197 | P193-F195 HydrophobicContact CB-CD2 4.17Å; P193-F195 PolarHBondContact O-N 2.91Å; F195-L197 VanDerWaalsContact C-N 3.34Å |
| 196 | H | 50.3 | Low | 52.9 | Low | 110 Ų | 110 | 114.3 Ų | 114.3 | 51% | 0.509 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -77.5 | -23.8 | -180 | -147.3 | -41.9 | 0 | 0 | 0 | 112.5 | P193 L194 L200 | P193-H196 PolarHBondContact O-N 3Å; L194-H196 VanDerWaalsContact C-N 3.25Å; L194-H196 PolarHBondContact O-N 2.68Å; H196-L200 WeakPolarHBondContact O-CG 3.32Å; H196-L200 PolarHBondContact O-N 2.62Å |
| 197 | L | 49.1 | Very low | 55 | Low | 99 Ų | 99 | 106.6 Ų | 106.6 | 52% | 0.518 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -72.9 | -31.5 | 174 | -73.3 | 170.8 | 0 | 0 | 0 | 111.7 | L194 F195 F199 L200 C201 | L194-L197 HydrophobicContact CD2-CD1 4.43Å; L194-L197 PolarHBondContact O-N 2.92Å; F195-L197 VanDerWaalsContact C-N 3.34Å; L197-F199 VanDerWaalsContact C-N 3.33Å; L197-F199 PolarHBondContact O-N 2.79Å; L197-L200 PolarHBondContact O-N 3.26Å; L197-C201 WeakPolarHBondContact O-CA 3.39Å; L197-C201 WeakPolarHBondContact O-CB 3.46Å; L197-C201 PolarHBondContact O-N 2.95Å; L197-C201 PolarHBondContact O-SG 2.84Å |
| 198 | D | 49.6 | Very low | 57.3 | Low | 101 Ų | 101 | 106.3 Ų | 106.3 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64 | -41 | 176.1 | -68.6 | -38.3 | 0 | 0 | 0 | 111.1 | C201 C202 | D198-C201 PolarHBondContact O-N 3.27Å; D198-C202 VanDerWaalsContact O-CB 3.3Å; D198-C202 WeakPolarHBondContact O-CB 3.18Å; D198-C202 PolarHBondContact O-N 3.36Å; D198-C202 PolarHBondContact O-SG 3.18Å |
| 199 | F | 46.6 | Very low | 59.2 | Low | 132 Ų | 132 | 111.4 Ų | 111.4 | 58% | 0.579 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -64.2 | -42.8 | 174.5 | -170.4 | -97.4 | 0 | 0 | 0 | 111.7 | L197 C202 Q203 | L197-F199 VanDerWaalsContact C-N 3.33Å; L197-F199 PolarHBondContact O-N 2.79Å; F199-C202 PolarHBondContact O-N 3.02Å; F199-Q203 HydrophobicContact CE1-CG 4.41Å; F199-Q203 WeakPolarHBondContact O-CG 3.09Å; F199-Q203 PolarHBondContact O-N 2.79Å |
| 200 | L | 50.8 | Low | 61.2 | Low | 84 Ų | 84 | 106.2 Ų | 106.2 | 44% | 0.44 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -70.7 | -37.4 | 177.4 | -66.5 | 170.3 | 0 | 0 | 0 | 112.4 | H196 L197 Q203 L204 | H196-L200 WeakPolarHBondContact O-CG 3.32Å; H196-L200 PolarHBondContact O-N 2.62Å; L197-L200 PolarHBondContact O-N 3.26Å; L200-Q203 CarbonylContact O-C 3.52Å; L200-Q203 PolarHBondContact O-N 2.92Å; L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 WeakPolarHBondContact O-CD1 3.05Å; L200-L204 VanDerWaalsContact O-CG 3.23Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.48Å |
| 201 | C | 49.6 | Very low | 63.1 | Low | 56 Ų | 56 | 103.9 Ų | 103.9 | 38% | 0.378 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -70 | -34.1 | 175.9 | -70.2 | 0 | 0 | 0 | 0 | 111.5 | L197 D198 Q203 L204 R205 | L197-C201 WeakPolarHBondContact O-CA 3.39Å; L197-C201 WeakPolarHBondContact O-CB 3.46Å; L197-C201 PolarHBondContact O-N 2.95Å; L197-C201 PolarHBondContact O-SG 2.84Å; D198-C201 PolarHBondContact O-N 3.27Å; C201-Q203 VanDerWaalsContact C-N 3.28Å; C201-L204 PolarHBondContact O-N 3.29Å; C201-R205 WeakPolarHBondContact O-CG 3.32Å; C201-R205 PolarHBondContact O-N 2.88Å |
| 202 | C | 46.9 | Very low | 65 | Low | 83 Ų | 83 | 98.4 Ų | 98.4 | 56% | 0.561 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.2 | -32.6 | 170.8 | -70.7 | 0 | 0 | 0 | 0 | 112 | D198 F199 | D198-C202 VanDerWaalsContact O-CB 3.3Å; D198-C202 WeakPolarHBondContact O-CB 3.18Å; D198-C202 PolarHBondContact O-N 3.36Å; D198-C202 PolarHBondContact O-SG 3.18Å; F199-C202 PolarHBondContact O-N 3.02Å |
| 203 | Q | 46.3 | Very low | 67 | Low | 139 Ų | 139 | 104 Ų | 104 | 65% | 0.65 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -83.6 | -17.2 | 177.6 | -63.8 | -72.5 | 30.6 | 0 | 0 | 113.8 | F199 L200 C201 | F199-Q203 HydrophobicContact CE1-CG 4.41Å; F199-Q203 WeakPolarHBondContact O-CG 3.09Å; F199-Q203 PolarHBondContact O-N 2.79Å; L200-Q203 CarbonylContact O-C 3.52Å; L200-Q203 PolarHBondContact O-N 2.92Å; C201-Q203 VanDerWaalsContact C-N 3.28Å |
| 204 | L | 52.7 | Low | 69 | Low | 138 Ų | 138 | 100.1 Ų | 100.1 | 72% | 0.723 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -96.2 | -4.8 | 177.9 | -72.6 | 165.6 | 0 | 0 | 0 | 113.5 | L200 C201 P206 | L200-L204 WeakPolarHBondContact O-CB 3.25Å; L200-L204 WeakPolarHBondContact O-CD1 3.05Å; L200-L204 VanDerWaalsContact O-CG 3.23Å; L200-L204 WeakPolarHBondContact O-CG 3.47Å; L200-L204 PolarHBondContact O-N 3.48Å; C201-L204 PolarHBondContact O-N 3.29Å; L204-P206 WeakPolarHBondContact O-CD 3.36Å |
| 205 | R | 63.2 | Low | 70.8 | Confident | 109 Ų | 109 | 94.9 Ų | 94.9 | 41% | 0.411 | 47% | 0.474 | S | S | . | . | S | Bend | trans | -85 | 105.4 | 169 | -71.1 | -176.5 | -156.6 | 170.7 | 2.6 | 107.7 | C201 T207 E226 | C201-R205 WeakPolarHBondContact O-CG 3.32Å; C201-R205 PolarHBondContact O-N 2.88Å; R205-T207 PolarHBondContact O-N 2.78Å; R205-E226 HydrophobicContact CB-CG 4.22Å; R205-E226 WeakPolarHBondContact CD-OE1 3.48Å; R205-E226 IonicContact NE-OE1 3.59Å; R205-E226 IonicContact NH1-OE1 3.13Å; R205-E226 PolarHBondContact NH1-OE1 3.49Å |
| 206 | P | 75.9 | Confident | 72.5 | Confident | 84 Ų | 84 | 92.4 Ų | 92.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | trans | -68 | 113.5 | -174.7 | 32.2 | -36.2 | 0 | 0 | 0 | 107.4 | L204 P334 | L204-P206 WeakPolarHBondContact O-CD 3.36Å; P206-P334 HydrophobicContact CB-CB 4.02Å; P206-P334 HydrophobicContact CB-CG 3.67Å; P206-P334 HydrophobicContact CG-CG 4.2Å; P206-P334 VanDerWaalsContact O-CG 3.28Å; P206-P334 WeakPolarHBondContact O-CG 3.35Å | ||
| 207 | T | 89.2 | Confident | 74.1 | Confident | 79 Ų | 79 | 94.1 Ų | 94.1 | 49% | 0.485 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 145.4 | 173.1 | 61.1 | 0 | 0 | 0 | 0 | 108.6 | R205 T225 E226 | R205-T207 PolarHBondContact O-N 2.78Å; T207-T225 WeakPolarHBondContact CA-O 3.43Å; T207-E226 HydrophobicContact CG2-CB 4.06Å; T207-E226 HydrophobicContact CG2-CG 4.11Å |
| 208 | R | 93 | Very high | 75.9 | Confident | 92 Ų | 92 | 90.8 Ų | 90.8 | 35% | 0.347 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 122.5 | 173.8 | 176.9 | 170.8 | 178.9 | 176.1 | 0.9 | 109.7 | S224 T225 A331 L332 L333 P334 | R208-S224 WeakPolarHBondContact O-CA 3.36Å; R208-T225 PolarHBondContact N-O 2.84Å; R208-T225 PolarHBondContact O-N 2.86Å; R208-T225 PolarHBondContact O-OG1 2.87Å; R208-T225 VanDerWaalsContact O-OG1 3.09Å; R208-A331 PolarHBondContact NE-O 3.09Å; R208-A331 PolarHBondContact NH1-O 2.54Å; R208-A331 PolarHBondContact NH2-O 2.9Å; R208-A331 VanDerWaalsContact NH2-O 3.14Å; R208-L332 WeakPolarHBondContact CB-O 3.3Å; R208-L332 WeakPolarHBondContact CD-O 3.2Å; R208-L333 WeakPolarHBondContact CD-O 3.41Å; R208-L333 PolarHBondContact NH1-O 2.94Å; R208-P334 HydrophobicContact CB-CG 3.92Å |
| 209 | E | 95.6 | Very high | 78 | Confident | 163 Ų | 163 | 86.9 Ų | 86.9 | 76% | 0.762 | 45% | 0.451 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80 | 131.8 | 167.2 | -60.7 | -172.8 | 173.7 | 0 | 0 | 109.2 | L223 | E209-L223 WeakPolarHBondContact CA-O 3.35Å |
| 210 | S | 96.3 | Very high | 80.4 | Confident | 11 Ų | 11 | 84.8 Ų | 84.8 | 8% | 0.077 | 44% | 0.442 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 135.7 | -176 | -61.5 | 0 | 0 | 0 | 0 | 110.1 | L223 | S210-L223 PolarHBondContact N-O 2.76Å; S210-L223 PolarHBondContact O-N 2.99Å |
| 211 | V | 97.5 | Very high | 82.6 | Confident | 73 Ų | 73 | 80.8 Ų | 80.8 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 110 | 174.7 | -172.8 | 0 | 0 | 0 | 0 | 108.6 | Q220 L221 R222 | V211-Q220 HydrophobicContact CG1-CB 3.87Å; V211-Q220 HydrophobicContact CG1-CG 4.26Å; V211-L221 WeakPolarHBondContact CA-O 3.29Å; V211-R222 HydrophobicContact CG1-CG 4.5Å; V211-R222 HydrophobicContact CG2-CG 4.26Å |
| 212 | L | 97.1 | Very high | 84.9 | Confident | 16 Ų | 16 | 83.1 Ų | 83.1 | 8% | 0.084 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 129.5 | -175.7 | -51.2 | -174.3 | 0 | 0 | 0 | 110.3 | Q220 L221 L223 C325 T327 L332 | L212-Q220 CarbonylContact O-C 3.55Å; L212-Q220 VanDerWaalsContact O-CA 3.29Å; L212-Q220 WeakPolarHBondContact O-CA 3.48Å; L212-L221 HydrophobicContact CB-CB 4.35Å; L212-L221 PolarHBondContact N-O 2.87Å; L212-L221 PolarHBondContact O-N 2.81Å; L212-L223 HydrophobicContact CD1-CD1 3.53Å; L212-L223 HydrophobicContact CG-CD1 4.21Å; L212-C325 HydrophobicContact CB-CB 4.34Å; L212-T327 HydrophobicContact CD2-CG2 3.98Å; L212-L332 HydrophobicContact CD1-CD2 4.17Å; L212-L332 HydrophobicContact CD2-CD2 3.81Å; L212-L332 HydrophobicContact CG-CD2 4.44Å |
| 213 | R | 96.9 | Very high | 87.3 | Confident | 218 Ų | 218 | 79.3 Ų | 79.3 | 82% | 0.823 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 132.3 | 176.5 | -60.3 | -173.2 | -171.3 | -169.2 | 3.3 | 110 | C325 | R213-C325 WeakPolarHBondContact O-CB 3.4Å |
| 214 | L | 96.4 | Very high | 89.7 | Confident | 7 Ų | 7 | 73.9 Ų | 73.9 | 4% | 0.037 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 126.7 | 179.1 | -63.1 | 172.4 | 0 | 0 | 0 | 110.2 | G218 G219 L221 L244 V309 C325 | L214-G218 CarbonylContact O-C 3.56Å; L214-G218 WeakPolarHBondContact O-CA 3.28Å; L214-G218 PolarHBondContact O-N 3.48Å; L214-G219 PolarHBondContact N-O 3.06Å; L214-L221 HydrophobicContact CD1-CB 4.36Å; L214-L221 HydrophobicContact CD2-CB 4.06Å; L214-L221 HydrophobicContact CG-CB 4.26Å; L214-L244 HydrophobicContact CD1-CD2 3.51Å; L214-V309 HydrophobicContact CD1-CG2 3.76Å; L214-V309 HydrophobicContact CD2-CG2 4.07Å; L214-C325 HydrophobicContact CD2-CB 4.08Å |
| 215 | G | 92.5 | Very high | 91.8 | Very high | 30 Ų | 30 | 67.3 Ų | 67.3 | 31% | 0.309 | 34% | 0.339 | S | S | . | . | B | Isolated β-bridge | trans | -110 | 160.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | G323 E324 | G215-G323 CarbonylContact O-C 3.54Å; G215-G323 WeakPolarHBondContact O-CA 3.29Å; G215-E324 PolarHBondContact N-O 3.27Å; G215-E324 PolarHBondContact O-N 3.25Å |
| 216 | P | 87.4 | Confident | 93.2 | Very high | 116 Ų | 116 | 62.6 Ų | 62.6 | 75% | 0.753 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -87.4 | -12.6 | -3.9 | 33 | -33.6 | 0 | 0 | 0 | 113.9 | G218 | P216-G218 PolarHBondContact O-N 3.02Š|
| 217 | R | 83.8 | Confident | 94 | Very high | 146 Ų | 146 | 60.5 Ų | 60.5 | 55% | 0.551 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | 1.4 | -169.7 | -60 | -178.4 | 171 | 178.3 | -1.7 | 114.8 | P245 L321 L322 | R217-P245 HydrophobicContact CB-CB 4.2Å; R217-P245 HydrophobicContact CB-CG 3.71Å; R217-L321 PolarHBondContact NH1-O 2.98Å; R217-L322 WeakPolarHBondContact CB-O 3.4Å |
| 218 | G | 85.9 | Confident | 94 | Very high | 30 Ų | 30 | 59.1 Ų | 59.1 | 31% | 0.309 | 29% | 0.292 | S | S | . | . | trans | 83.5 | 178.3 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | L214 P216 | L214-G218 CarbonylContact O-C 3.56Å; L214-G218 WeakPolarHBondContact O-CA 3.28Å; L214-G218 PolarHBondContact O-N 3.48Å; P216-G218 PolarHBondContact O-N 3.02Å | ||
| 219 | G | 93.9 | Very high | 93.7 | Very high | 19 Ų | 19 | 58.3 Ų | 58.3 | 20% | 0.196 | 31% | 0.305 | C | S | . | . | trans | 105.3 | 174.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L214 E242 G243 | L214-G219 PolarHBondContact N-O 3.06Å; G219-E242 CarbonylContact C-O 3.55Å; G219-E242 VanDerWaalsContact CA-O 3.23Å; G219-E242 WeakPolarHBondContact CA-O 3.37Å; G219-G243 WeakPolarHBondContact CA-O 3.42Å | ||
| 220 | Q | 97.1 | Very high | 93.3 | Very high | 87 Ų | 87 | 54.4 Ų | 54.4 | 41% | 0.407 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 148.3 | -175 | -63 | 179 | 67.3 | 0 | 0 | 109.9 | V211 L212 A241 E242 | V211-Q220 HydrophobicContact CG1-CB 3.87Å; V211-Q220 HydrophobicContact CG1-CG 4.26Å; L212-Q220 CarbonylContact O-C 3.55Å; L212-Q220 VanDerWaalsContact O-CA 3.29Å; L212-Q220 WeakPolarHBondContact O-CA 3.48Å; Q220-A241 CarbonylContact O-C 3.48Å; Q220-A241 VanDerWaalsContact O-CA 3.23Å; Q220-A241 WeakPolarHBondContact O-CA 3.2Å; Q220-E242 HydrophobicContact CB-CB 4.45Å; Q220-E242 PolarHBondContact N-O 2.88Å; Q220-E242 PolarHBondContact O-N 2.74Å |
| 221 | L | 97.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 118.4 | 176.2 | -169.3 | 70 | 0 | 0 | 0 | 108.7 | V211 L212 L214 L223 L238 A241 V260 A307 V309 | V211-L221 WeakPolarHBondContact CA-O 3.29Å; L212-L221 HydrophobicContact CB-CB 4.35Å; L212-L221 PolarHBondContact N-O 2.87Å; L212-L221 PolarHBondContact O-N 2.81Å; L214-L221 HydrophobicContact CD1-CB 4.36Å; L214-L221 HydrophobicContact CD2-CB 4.06Å; L214-L221 HydrophobicContact CG-CB 4.26Å; L221-L223 HydrophobicContact CD2-CD1 4.3Å; L221-L223 HydrophobicContact CD2-CD2 4.11Å; L221-L223 HydrophobicContact CD2-CG 4.35Å; L221-L223 HydrophobicContact CG-CD2 4.08Å; L221-L223 HydrophobicContact CG-CG 4.29Å; L221-L238 HydrophobicContact CD1-CD1 3.57Å; L221-L238 HydrophobicContact CD2-CD1 4.4Å; L221-L238 HydrophobicContact CG-CD1 4.06Å; L221-A241 HydrophobicContact CD1-CB 3.9Å; L221-V260 HydrophobicContact CD1-CG2 4.28Å; L221-V260 HydrophobicContact CD2-CG1 4.42Å; L221-A307 HydrophobicContact CD2-CB 3.53Å; L221-V309 HydrophobicContact CD1-CG2 4.24Å |
| 222 | R | 98.1 | Very high | 92.5 | Very high | 106 Ų | 106 | 54.5 Ų | 54.5 | 40% | 0.4 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 123.1 | 177.6 | -63.6 | -160.1 | -179.9 | -151.4 | 11.6 | 110.6 | V211 V239 S240 E242 | V211-R222 HydrophobicContact CG1-CG 4.5Å; V211-R222 HydrophobicContact CG2-CG 4.26Å; R222-V239 HydrophobicContact CB-CB 4.06Å; R222-V239 WeakPolarHBondContact O-CB 3.2Å; R222-V239 PolarHBondContact O-N 2.78Å; R222-S240 PolarHBondContact N-O 2.83Å; R222-E242 VanDerWaalsContact CD-OE1 3.23Å; R222-E242 WeakPolarHBondContact CD-OE1 3.29Å; R222-E242 IonicContact CZ-OE1 2.68Å; R222-E242 IonicContact CZ-OE2 3.92Å; R222-E242 VanDerWaalsContact CZ-OE2 3.31Å; R222-E242 IonicContact NE-OE1 3.54Å; R222-E242 PolarHBondContact NE-OE1 3.37Å; R222-E242 IonicContact NE-OE2 3.33Å; R222-E242 PolarHBondContact NE-OE2 3.43Å; R222-E242 IonicContact NH2-OE1 3.49Å; R222-E242 PolarHBondContact NH2-OE1 2.83Å; R222-E242 IonicContact NH2-OE2 3.87Å; R222-E242 PolarHBondContact NH2-OE2 2.78Å |
| 223 | L | 97.5 | Very high | 92.2 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 148.8 | -179.9 | -56.6 | 178.3 | 0 | 0 | 0 | 109.7 | E209 S210 L212 L221 L236 R237 L238 L305 | E209-L223 WeakPolarHBondContact CA-O 3.35Å; S210-L223 PolarHBondContact N-O 2.76Å; S210-L223 PolarHBondContact O-N 2.99Å; L212-L223 HydrophobicContact CD1-CD1 3.53Å; L212-L223 HydrophobicContact CG-CD1 4.21Å; L221-L223 HydrophobicContact CD2-CD1 4.3Å; L221-L223 HydrophobicContact CD2-CD2 4.11Å; L221-L223 HydrophobicContact CD2-CG 4.35Å; L221-L223 HydrophobicContact CG-CD2 4.08Å; L221-L223 HydrophobicContact CG-CG 4.29Å; L223-L236 HydrophobicContact CD1-CD1 4.33Å; L223-L236 HydrophobicContact CD1-CD2 4.49Å; L223-L236 HydrophobicContact CD2-CD2 3.89Å; L223-R237 CarbonylContact C-O 3.56Å; L223-R237 WeakPolarHBondContact CA-O 3.43Å; L223-L238 HydrophobicContact CD2-CB 4.24Å; L223-L238 HydrophobicContact CD2-CD1 3.53Å; L223-L238 HydrophobicContact CD2-CG 4.49Å; L223-L305 HydrophobicContact CD1-CD2 3.82Å |
| 224 | S | 96.8 | Very high | 92 | Very high | 24 Ų | 24 | 48.1 Ų | 48.1 | 17% | 0.168 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 131.1 | 165.1 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | R208 L236 R237 | R208-S224 WeakPolarHBondContact O-CA 3.36Å; S224-L236 CarbonylContact O-C 3.38Å; S224-R237 PolarHBondContact N-O 2.96Å; S224-R237 PolarHBondContact O-N 2.87Å |
| 225 | T | 95.4 | Very high | 91.9 | Very high | 1 Ų | 1 | 51.2 Ų | 51.2 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 135.1 | -168.8 | 25 | 0 | 0 | 0 | 0 | 111.3 | T207 R208 R235 L236 L332 | T207-T225 WeakPolarHBondContact CA-O 3.43Å; R208-T225 PolarHBondContact N-O 2.84Å; R208-T225 PolarHBondContact O-N 2.86Å; R208-T225 PolarHBondContact O-OG1 2.87Å; R208-T225 VanDerWaalsContact O-OG1 3.09Å; T225-R235 WeakPolarHBondContact CA-O 3.39Å; T225-L236 HydrophobicContact CG2-CB 4Å; T225-L236 HydrophobicContact CG2-CD1 3.65Å; T225-L236 HydrophobicContact CG2-CG 3.68Å; T225-L332 WeakPolarHBondContact CB-O 3.45Å; T225-L332 HydrophobicContact CG2-CB 4.14Å; T225-L332 PolarHBondContact OG1-O 3.48Å |
| 226 | E | 93.6 | Very high | 92.1 | Very high | 10 Ų | 10 | 49.8 Ų | 49.8 | 5% | 0.047 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 129 | -176.6 | -174.7 | -163.8 | 145.6 | 0 | 0 | 108.1 | R205 T207 Q228 R235 | R205-E226 HydrophobicContact CB-CG 4.22Å; R205-E226 WeakPolarHBondContact CD-OE1 3.48Å; R205-E226 IonicContact NE-OE1 3.59Å; R205-E226 IonicContact NH1-OE1 3.13Å; R205-E226 PolarHBondContact NH1-OE1 3.49Å; T207-E226 HydrophobicContact CG2-CB 4.06Å; T207-E226 HydrophobicContact CG2-CG 4.11Å; E226-Q228 PolarHBondContact OE1-NE2 3.43Å; E226-R235 HydrophobicContact CB-CB 4.3Å; E226-R235 PolarHBondContact N-O 3.07Å; E226-R235 PolarHBondContact O-N 2.85Å; E226-R235 IonicContact OE2-CZ 3.7Å; E226-R235 IonicContact OE2-NH1 2.63Å; E226-R235 PolarHBondContact OE2-NH1 2.83Å |
| 227 | Y | 92.1 | Very high | 92.5 | Very high | 39 Ų | 39 | 49 Ų | 49 | 15% | 0.153 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 130 | 176.1 | 177.7 | -106.6 | 0 | 0 | 0 | 111.2 | A229 R233 L234 L295 L300 L333 | Y227-A229 HydrophobicContact CD1-CB 4.47Å; Y227-A229 HydrophobicContact CE1-CB 3.88Å; Y227-R233 WeakPolarHBondContact CD2-O 3.48Å; Y227-L234 HydrophobicContact CD2-CB 4.31Å; Y227-L295 HydrophobicContact CE2-CB 4.25Å; Y227-L295 WeakPolarHBondContact CE2-O 3.48Å; Y227-L295 PolarHBondContact OH-O 3Å; Y227-L300 HydrophobicContact CD1-CD1 3.73Å; Y227-L300 HydrophobicContact CD2-CD1 3.96Å; Y227-L300 HydrophobicContact CD2-CD2 4.04Å; Y227-L300 HydrophobicContact CD2-CG 4.5Å; Y227-L300 HydrophobicContact CE1-CD1 3.57Å; Y227-L300 HydrophobicContact CE2-CD1 3.82Å; Y227-L300 HydrophobicContact CE2-CD2 4.06Å; Y227-L300 HydrophobicContact CE2-CG 4.22Å; Y227-L300 HydrophobicContact CG-CD1 3.9Å; Y227-L333 HydrophobicContact CG-CD1 4.29Å |
| 228 | Q | 90.3 | Very high | 93.2 | Very high | 51 Ų | 51 | 42.1 Ų | 42.1 | 24% | 0.238 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 106.1 | 176.7 | -63.3 | 177.6 | 22.9 | 0 | 0 | 108.8 | E226 G230 P231 G232 R233 | E226-Q228 PolarHBondContact OE1-NE2 3.43Å; Q228-G230 PolarHBondContact O-N 3.33Å; Q228-P231 HydrophobicContact CB-CG 3.62Å; Q228-P231 WeakPolarHBondContact O-CD 3.48Å; Q228-G232 WeakPolarHBondContact O-CA 3.39Å; Q228-G232 PolarHBondContact O-N 2.98Å; Q228-R233 PolarHBondContact N-O 2.98Å; Q228-R233 PolarHBondContact O-N 3.03Å |
| 229 | A | 86.8 | Confident | 93.8 | Very high | 75 Ų | 75 | 42.7 Ų | 42.7 | 62% | 0.62 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -37.5 | -175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y227 G232 | Y227-A229 HydrophobicContact CD1-CB 4.47Å; Y227-A229 HydrophobicContact CE1-CB 3.88Å; A229-G232 PolarHBondContact O-N 3.31Å |
| 230 | G | 86.3 | Confident | 93.9 | Very high | 80 Ų | 80 | 42.1 Ų | 42.1 | 83% | 0.825 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -59.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | Q228 G232 | Q228-G230 PolarHBondContact O-N 3.33Å; G230-G232 VanDerWaalsContact C-N 3.3Å; G230-G232 PolarHBondContact O-N 2.84Å |
| 231 | P | 87.2 | Confident | 93.9 | Very high | 77 Ų | 77 | 38 Ų | 38 | 50% | 0.5 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -6.2 | 176.1 | 31.6 | -36.2 | 0 | 0 | 0 | 114.1 | Q228 R233 | Q228-P231 HydrophobicContact CB-CG 3.62Å; Q228-P231 WeakPolarHBondContact O-CD 3.48Å; P231-R233 VanDerWaalsContact C-N 3.33Å; P231-R233 HydrophobicContact CB-CB 4.25Å; P231-R233 HydrophobicContact CG-CB 3.98Å; P231-R233 PolarHBondContact O-N 2.75Å |
| 232 | G | 89.4 | Confident | 93.8 | Very high | 10 Ų | 10 | 40.2 Ų | 40.2 | 10% | 0.103 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 43.1 | -171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q228 A229 G230 G294 L295 | Q228-G232 WeakPolarHBondContact O-CA 3.39Å; Q228-G232 PolarHBondContact O-N 2.98Å; A229-G232 PolarHBondContact O-N 3.31Å; G230-G232 VanDerWaalsContact C-N 3.3Å; G230-G232 PolarHBondContact O-N 2.84Å; G232-G294 PolarHBondContact O-N 2.9Å; G232-L295 CarbonylContact C-O 3.57Å; G232-L295 VanDerWaalsContact CA-O 3.29Å; G232-L295 WeakPolarHBondContact CA-O 3.16Å; G232-L295 PolarHBondContact O-N 3.47Å |
| 233 | R | 91.6 | Very high | 93.6 | Very high | 98 Ų | 98 | 37.5 Ų | 37.5 | 37% | 0.37 | 23% | 0.225 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 124.6 | -174 | 177.6 | 176.8 | -73.5 | -176.2 | -6.8 | 110.7 | Y227 Q228 P231 F291 F292 D293 | Y227-R233 WeakPolarHBondContact CD2-O 3.48Å; Q228-R233 PolarHBondContact N-O 2.98Å; Q228-R233 PolarHBondContact O-N 3.03Å; P231-R233 VanDerWaalsContact C-N 3.33Å; P231-R233 HydrophobicContact CB-CB 4.25Å; P231-R233 HydrophobicContact CG-CB 3.98Å; P231-R233 PolarHBondContact O-N 2.75Å; R233-F291 HydrophobicContact CG-CD1 4.42Å; R233-F292 WeakPolarHBondContact CA-O 3.3Å; R233-D293 IonicContact CZ-OD1 3.25Å; R233-D293 IonicContact NE-OD1 3.99Å; R233-D293 PolarHBondContact NE-OD1 3.27Å; R233-D293 IonicContact NH2-OD1 2.71Å; R233-D293 PolarHBondContact NH2-OD1 3.17Å; R233-D293 IonicContact NH2-OD2 2.8Å |
| 234 | L | 92.3 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.005 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 121.7 | 167.5 | 179.6 | 74.3 | 0 | 0 | 0 | 109 | Y227 F291 F292 L295 L329 L333 | Y227-L234 HydrophobicContact CD2-CB 4.31Å; L234-F291 WeakPolarHBondContact O-CA 3.4Å; L234-F292 HydrophobicContact CB-CB 4.3Å; L234-F292 HydrophobicContact CD2-CD2 4.15Å; L234-F292 PolarHBondContact N-O 2.93Å; L234-F292 PolarHBondContact O-N 2.71Å; L234-L295 HydrophobicContact CB-CD1 3.51Å; L234-L295 HydrophobicContact CD2-CD1 4.13Å; L234-L295 HydrophobicContact CG-CD1 4.48Å; L234-L329 HydrophobicContact CD2-CD1 4.25Å; L234-L329 HydrophobicContact CD2-CD2 3.72Å; L234-L333 HydrophobicContact CD1-CD2 3.72Å |
| 235 | R | 94.7 | Very high | 92.8 | Very high | 73 Ų | 73 | 38.1 Ų | 38.1 | 28% | 0.275 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 129.9 | 166.4 | 175.7 | -174.4 | 175.2 | -153 | 4.5 | 108.6 | T225 E226 D289 F290 F291 | T225-R235 WeakPolarHBondContact CA-O 3.39Å; E226-R235 HydrophobicContact CB-CB 4.3Å; E226-R235 PolarHBondContact N-O 3.07Å; E226-R235 PolarHBondContact O-N 2.85Å; E226-R235 IonicContact OE2-CZ 3.7Å; E226-R235 IonicContact OE2-NH1 2.63Å; E226-R235 PolarHBondContact OE2-NH1 2.83Å; R235-D289 IonicContact CZ-OD2 2.93Å; R235-D289 VanDerWaalsContact CZ-OD2 3.25Å; R235-D289 IonicContact NE-OD2 3.43Å; R235-D289 PolarHBondContact NE-OD2 2.97Å; R235-D289 IonicContact NH2-OD1 3.73Å; R235-D289 IonicContact NH2-OD2 3.93Å; R235-D289 PolarHBondContact NH2-OD2 2.79Å; R235-F290 CarbonylContact C-O 3.59Å; R235-F290 WeakPolarHBondContact CA-O 3.43Å; R235-F291 HydrophobicContact CB-CD1 4.01Å; R235-F291 HydrophobicContact CB-CE1 3.92Å; R235-F291 HydrophobicContact CG-CD1 4.14Å; R235-F291 HydrophobicContact CG-CE1 3.65Å; R235-F291 HydrophobicContact CG-CZ 4.3Å |
| 236 | L | 95.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 113.2 | 179.3 | -175.4 | 149.6 | 0 | 0 | 0 | 109 | L223 S224 T225 L262 F290 F292 L305 | L223-L236 HydrophobicContact CD1-CD1 4.33Å; L223-L236 HydrophobicContact CD1-CD2 4.49Å; L223-L236 HydrophobicContact CD2-CD2 3.89Å; S224-L236 CarbonylContact O-C 3.38Å; T225-L236 HydrophobicContact CG2-CB 4Å; T225-L236 HydrophobicContact CG2-CD1 3.65Å; T225-L236 HydrophobicContact CG2-CG 3.68Å; L236-L262 HydrophobicContact CD2-CD1 3.62Å; L236-F290 HydrophobicContact CB-CB 4.44Å; L236-F290 HydrophobicContact CD2-CD2 4.27Å; L236-F290 PolarHBondContact N-O 2.95Å; L236-F290 WeakPolarHBondContact O-CB 3.5Å; L236-F290 PolarHBondContact O-N 3.4Å; L236-F292 HydrophobicContact CB-CE2 4.47Å; L236-L305 HydrophobicContact CD1-CD1 4.15Å; L236-L305 HydrophobicContact CD1-CD2 3.39Å; L236-L305 HydrophobicContact CD1-CG 4.39Å |
| 237 | R | 97.3 | Very high | 90.3 | Very high | 100 Ų | 100 | 49.6 Ų | 49.6 | 38% | 0.377 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 113.4 | 175.1 | -177.5 | 165.6 | 178.1 | 172.6 | 0.4 | 109.7 | L223 S224 V239 E288 D289 | L223-R237 CarbonylContact C-O 3.56Å; L223-R237 WeakPolarHBondContact CA-O 3.43Å; S224-R237 PolarHBondContact N-O 2.96Å; S224-R237 PolarHBondContact O-N 2.87Å; R237-V239 HydrophobicContact CG-CG2 4.29Å; R237-V239 PolarHBondContact O-N 3.24Å; R237-E288 CarbonylContact C-O 3.35Å; R237-E288 WeakPolarHBondContact CA-O 3.24Å; R237-D289 WeakPolarHBondContact CB-OD1 3.41Å; R237-D289 WeakPolarHBondContact CD-OD1 3.47Å; R237-D289 WeakPolarHBondContact CG-OD1 3.29Å |
| 238 | L | 97.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 59.8 Ų | 59.8 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.2 | 111.2 | 168.9 | 176.3 | 65.3 | 0 | 0 | 0 | 108.8 | L221 L223 V260 F286 N287 E288 F290 | L221-L238 HydrophobicContact CD1-CD1 3.57Å; L221-L238 HydrophobicContact CD2-CD1 4.4Å; L221-L238 HydrophobicContact CG-CD1 4.06Å; L223-L238 HydrophobicContact CD2-CB 4.24Å; L223-L238 HydrophobicContact CD2-CD1 3.53Å; L223-L238 HydrophobicContact CD2-CG 4.49Å; L238-V260 HydrophobicContact CD1-CB 4.47Å; L238-V260 HydrophobicContact CD1-CG1 4.37Å; L238-V260 HydrophobicContact CD1-CG2 4.26Å; L238-V260 HydrophobicContact CD2-CB 3.62Å; L238-V260 HydrophobicContact CD2-CG1 4.22Å; L238-V260 HydrophobicContact CD2-CG2 3.79Å; L238-F286 HydrophobicContact CB-CB 4.47Å; L238-F286 HydrophobicContact CD1-CD2 4.32Å; L238-F286 HydrophobicContact CD2-CB 3.64Å; L238-F286 HydrophobicContact CD2-CD1 4.07Å; L238-F286 HydrophobicContact CD2-CD2 3.79Å; L238-F286 HydrophobicContact CD2-CG 3.55Å; L238-F286 HydrophobicContact CG-CB 3.73Å; L238-F286 HydrophobicContact CG-CD2 3.91Å; L238-F286 HydrophobicContact CG-CG 3.95Å; L238-N287 CarbonylContact O-C 3.5Å; L238-N287 WeakPolarHBondContact O-CA 3.43Å; L238-N287 PolarHBondContact O-N 2.9Å; L238-E288 PolarHBondContact N-O 2.7Å; L238-E288 PolarHBondContact O-N 2.94Å; L238-F290 HydrophobicContact CB-CD2 4.15Å; L238-F290 HydrophobicContact CB-CE2 3.68Å; L238-F290 HydrophobicContact CD2-CE2 4.01Å |
| 239 | V | 97.9 | Very high | 87.2 | Confident | 43 Ų | 43 | 61.4 Ų | 61.4 | 26% | 0.261 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | -66.7 | -175.8 | -178.9 | 0 | 0 | 0 | 0 | 110 | R222 R237 F286 N287 | R222-V239 HydrophobicContact CB-CB 4.06Å; R222-V239 WeakPolarHBondContact O-CB 3.2Å; R222-V239 PolarHBondContact O-N 2.78Å; R237-V239 HydrophobicContact CG-CG2 4.29Å; R237-V239 PolarHBondContact O-N 3.24Å; V239-F286 PolarHBondContact O-N 3.03Å; V239-N287 PolarHBondContact O-N 2.78Å; V239-N287 VanDerWaalsContact O-N 3.1Å; V239-N287 PolarHBondContact O-OD1 2.78Å |
| 240 | S | 97.4 | Very high | 85.8 | Confident | 7 Ų | 7 | 67.8 Ų | 67.8 | 5% | 0.049 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 161.2 | -175.5 | 58.4 | 0 | 0 | 0 | 0 | 110.9 | R222 E242 P284 | R222-S240 PolarHBondContact N-O 2.83Å; S240-E242 PolarHBondContact OG-OE1 2.88Å; S240-P284 CarbonylContact C-O 3.32Å; S240-P284 VanDerWaalsContact CA-O 3.29Å; S240-P284 WeakPolarHBondContact CA-O 2.92Å; S240-P284 WeakPolarHBondContact CB-O 3.23Å |
| 241 | A | 96.8 | Very high | 84.1 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 145.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Q220 L221 L244 N283 P284 F286 | Q220-A241 CarbonylContact O-C 3.48Å; Q220-A241 VanDerWaalsContact O-CA 3.23Å; Q220-A241 WeakPolarHBondContact O-CA 3.2Å; L221-A241 HydrophobicContact CD1-CB 3.9Å; A241-L244 HydrophobicContact CB-CD1 3.78Å; A241-L244 HydrophobicContact CB-CD2 4.03Å; A241-L244 HydrophobicContact CB-CG 3.92Å; A241-N283 CarbonylContact O-C 3.53Å; A241-N283 WeakPolarHBondContact O-CA 3.44Å; A241-P284 HydrophobicContact CB-CG 4Å; A241-P284 PolarHBondContact N-O 2.96Å; A241-P284 VanDerWaalsContact O-CD 3.23Å; A241-P284 WeakPolarHBondContact O-CD 3.49Å; A241-F286 HydrophobicContact CB-CE2 4.31Å |
| 242 | E | 95.9 | Very high | 82.5 | Confident | 46 Ų | 46 | 71 Ų | 71 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.7 | -171.8 | -70.3 | 175.7 | -169.9 | 0 | 0 | 111 | G219 Q220 R222 S240 L244 A282 N283 | G219-E242 CarbonylContact C-O 3.55Å; G219-E242 VanDerWaalsContact CA-O 3.23Å; G219-E242 WeakPolarHBondContact CA-O 3.37Å; Q220-E242 HydrophobicContact CB-CB 4.45Å; Q220-E242 PolarHBondContact N-O 2.88Å; Q220-E242 PolarHBondContact O-N 2.74Å; R222-E242 VanDerWaalsContact CD-OE1 3.23Å; R222-E242 WeakPolarHBondContact CD-OE1 3.29Å; R222-E242 IonicContact CZ-OE1 2.68Å; R222-E242 IonicContact CZ-OE2 3.92Å; R222-E242 VanDerWaalsContact CZ-OE2 3.31Å; R222-E242 IonicContact NE-OE1 3.54Å; R222-E242 PolarHBondContact NE-OE1 3.37Å; R222-E242 IonicContact NE-OE2 3.33Å; R222-E242 PolarHBondContact NE-OE2 3.43Å; R222-E242 IonicContact NH2-OE1 3.49Å; R222-E242 PolarHBondContact NH2-OE1 2.83Å; R222-E242 IonicContact NH2-OE2 3.87Å; R222-E242 PolarHBondContact NH2-OE2 2.78Å; S240-E242 PolarHBondContact OG-OE1 2.88Å; E242-L244 PolarHBondContact O-N 2.97Å; E242-A282 CarbonylContact C-O 3.6Å; E242-N283 VanDerWaalsContact CA-OD1 3.3Å; E242-N283 WeakPolarHBondContact CA-OD1 3.29Å |
| 243 | G | 93 | Very high | 81 | Confident | 49 Ų | 49 | 72.5 Ų | 72.5 | 51% | 0.505 | 37% | 0.372 | S | S | . | . | S | Bend | trans | 59.9 | 30.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | G219 A282 N283 | G219-G243 WeakPolarHBondContact CA-O 3.42Å; G243-A282 PolarHBondContact N-O 2.82Å; G243-N283 PolarHBondContact N-OD1 3.33Å |
| 244 | L | 91.6 | Very high | 79.5 | Confident | 6 Ų | 6 | 70.4 Ų | 70.4 | 3% | 0.031 | 38% | 0.381 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 143.4 | 176.8 | -68.1 | -177.6 | 0 | 0 | 0 | 110.6 | L214 A241 E242 R246 A282 P284 V309 L322 | L214-L244 HydrophobicContact CD1-CD2 3.51Å; A241-L244 HydrophobicContact CB-CD1 3.78Å; A241-L244 HydrophobicContact CB-CD2 4.03Å; A241-L244 HydrophobicContact CB-CG 3.92Å; E242-L244 PolarHBondContact O-N 2.97Å; L244-R246 PolarHBondContact O-N 2.84Å; L244-A282 PolarHBondContact N-O 3.25Å; L244-P284 HydrophobicContact CD1-CG 3.56Å; L244-V309 HydrophobicContact CD1-CG1 3.79Å; L244-V309 HydrophobicContact CD2-CG1 4.18Å; L244-L322 HydrophobicContact CD1-CD1 4.06Å |
| 245 | P | 85.7 | Confident | 78.4 | Confident | 34 Ų | 34 | 72.5 Ų | 72.5 | 22% | 0.221 | 40% | 0.403 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 125.3 | 175.1 | 28 | -36.6 | 0 | 0 | 0 | 108.8 | R217 P247 L322 | R217-P245 HydrophobicContact CB-CB 4.2Å; R217-P245 HydrophobicContact CB-CG 3.71Å; P245-P247 WeakPolarHBondContact O-CD 3.23Å; P245-L322 HydrophobicContact CG-CB 4.44Å; P245-L322 HydrophobicContact CG-CD2 4.46Å |
| 246 | R | 73.8 | Confident | 77.9 | Confident | 207 Ų | 207 | 70.6 Ų | 70.6 | 78% | 0.781 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -61.2 | 124.6 | 174 | -77.1 | -177.8 | 179 | 159.7 | 0.3 | 108.4 | L244 R248 | L244-R246 PolarHBondContact O-N 2.84Å; R246-R248 PolarHBondContact O-N 2.83Å |
| 247 | P | 63.2 | Low | 77.6 | Confident | 46 Ų | 46 | 70.8 Ų | 70.8 | 30% | 0.299 | 41% | 0.408 | S | S | . | . | P | Polyproline II helix | trans | -55.5 | 130.2 | 165 | -16.8 | 28.7 | 0 | 0 | 0 | 106.6 | P245 S249 D311 L322 | P245-P247 WeakPolarHBondContact O-CD 3.23Å; P247-S249 PolarHBondContact O-N 3.22Å; P247-D311 WeakPolarHBondContact CB-OD2 3.45Å; P247-D311 WeakPolarHBondContact CG-OD2 3.43Å; P247-L322 HydrophobicContact CG-CD2 4.39Å |
| 248 | R | 59.1 | Low | 77.4 | Confident | 252 Ų | 252 | 66.1 Ų | 66.1 | 95% | 0.951 | 39% | 0.391 | S | S | * | . | trans | -65.7 | 80 | 170.1 | -71 | -177 | 176.4 | 177.2 | -1.7 | 107.4 | R246 R250 | R246-R248 PolarHBondContact O-N 2.83Å; R248-R250 PolarHBondContact O-N 2.83Å; R248-R250 VanDerWaalsContact O-N 3.17Å | ||
| 249 | S | 58.8 | Low | 77.3 | Confident | 86 Ų | 86 | 66.1 Ų | 66.1 | 60% | 0.601 | 39% | 0.391 | S | S | * | . | trans | -71.5 | 109.8 | 176.9 | 61.3 | 0 | 0 | 0 | 0 | 106.8 | P247 | P247-S249 PolarHBondContact O-N 3.22Š| ||
| 250 | R | 57 | Low | 77.3 | Confident | 209 Ų | 209 | 64 Ų | 64 | 79% | 0.789 | 38% | 0.378 | S | S | * | . | trans | -55.6 | 137.7 | 159.9 | -82.6 | -178.9 | 162.6 | 115.1 | -4.4 | 107.6 | R248 G252 S253 | R248-R250 PolarHBondContact O-N 2.83Å; R248-R250 VanDerWaalsContact O-N 3.17Å; R250-G252 PolarHBondContact O-N 2.79Å; R250-S253 VanDerWaalsContact O-CB 3.24Å; R250-S253 WeakPolarHBondContact O-CB 3.37Å; R250-S253 PolarHBondContact O-N 2.84Å | ||
| 251 | P | 50.1 | Low | 77.2 | Confident | 136 Ų | 136 | 63.8 Ų | 63.8 | 88% | 0.883 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 129 | 175.3 | 21.4 | -31.4 | 0 | 0 | 0 | 109.2 | ||
| 252 | G | 53.9 | Low | 77.2 | Confident | 89 Ų | 89 | 63.8 Ų | 63.8 | 92% | 0.918 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.8 | -8.1 | -174.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | R250 G254 | R250-G252 PolarHBondContact O-N 2.79Å; G252-G254 PolarHBondContact O-N 2.84Å |
| 253 | S | 58.5 | Low | 77.1 | Confident | 40 Ų | 40 | 62.8 Ų | 62.8 | 28% | 0.28 | 37% | 0.371 | S | S | . | . | trans | -93.2 | 77 | 175.7 | -155.1 | 0 | 0 | 0 | 0 | 110.3 | R250 G255 R317 | R250-S253 VanDerWaalsContact O-CB 3.24Å; R250-S253 WeakPolarHBondContact O-CB 3.37Å; R250-S253 PolarHBondContact O-N 2.84Å; S253-G255 PolarHBondContact O-N 2.63Å; S253-G255 VanDerWaalsContact O-N 3.16Å; S253-R317 PolarHBondContact OG-NH1 3.11Å | ||
| 254 | G | 59.3 | Low | 77.1 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 57% | 0.567 | 35% | 0.352 | S | S | * | . | trans | -56.5 | 119 | 168.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | G252 A314 | G252-G254 PolarHBondContact O-N 2.84Å; G254-A314 VanDerWaalsContact O-CB 3.26Å; G254-A314 WeakPolarHBondContact O-CB 3.25Å | ||
| 255 | G | 69.9 | Low | 77.2 | Confident | 44 Ų | 44 | 65 Ų | 65 | 45% | 0.454 | 37% | 0.365 | S | S | . | . | trans | -68.4 | 141.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | S253 G257 | S253-G255 PolarHBondContact O-N 2.63Å; S253-G255 VanDerWaalsContact O-N 3.16Å; G255-G257 PolarHBondContact O-N 2.77Å; G255-G257 VanDerWaalsContact O-N 3.11Å | ||
| 256 | G | 82.9 | Confident | 77.2 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 35% | 0.351 | 38% | 0.381 | S | S | . | . | trans | -67.9 | -4.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.5 | V277 R312 | G256-V277 VanDerWaalsContact O-CG1 3.28Å; G256-V277 WeakPolarHBondContact O-CG1 3.23Å; G256-R312 WeakPolarHBondContact CA-O 3.49Å; G256-R312 PolarHBondContact N-O 3.23Å | ||
| 257 | G | 90.3 | Very high | 77.3 | Confident | 4 Ų | 4 | 64.2 Ų | 64.2 | 4% | 0.041 | 37% | 0.369 | C | S | . | . | trans | 107.4 | 164 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G255 V278 C280 R312 | G255-G257 PolarHBondContact O-N 2.77Å; G255-G257 VanDerWaalsContact O-N 3.11Å; G257-V278 CarbonylContact C-O 3.54Å; G257-V278 WeakPolarHBondContact CA-O 3.4Å; G257-C280 VanDerWaalsContact CA-SG 3.59Å; G257-C280 PolarHBondContact O-SG 2.84Å; G257-R312 VanDerWaalsContact O-CB 3.24Å; G257-R312 WeakPolarHBondContact O-CB 3.23Å; G257-R312 WeakPolarHBondContact O-CG 3.47Å; G257-R312 PolarHBondContact O-N 2.8Å | ||
| 258 | C | 92.9 | Very high | 77.3 | Confident | 1 Ų | 1 | 67 Ų | 67 | 1% | 0.007 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 136.9 | -177.3 | -170.1 | 0 | 0 | 0 | 0 | 109.4 | V277 V278 C280 P284 F286 V309 L310 | C258-V277 WeakPolarHBondContact O-CA 3.33Å; C258-V278 HydrophobicContact CB-CG2 4.15Å; C258-V278 PolarHBondContact N-O 3.2Å; C258-V278 PolarHBondContact O-N 3.21Å; C258-C280 PolarHBondContact N-SG 3.44Å; C258-P284 HydrophobicContact CB-CB 4.38Å; C258-P284 HydrophobicContact CB-CG 4.43Å; C258-F286 HydrophobicContact CB-CZ 4.47Å; C258-V309 VanDerWaalsContact SG-CG1 3.54Å; C258-L310 CarbonylContact C-O 3.59Å; C258-L310 VanDerWaalsContact CA-O 3.3Å; C258-L310 WeakPolarHBondContact CA-O 3.3Å |
| 259 | C | 95.5 | Very high | 77.5 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 158.2 | 168 | 68.3 | 0 | 0 | 0 | 0 | 111.2 | Q274 S275 V277 L310 R312 | C259-Q274 HydrophobicContact CB-CG 4.49Å; C259-S275 WeakPolarHBondContact CA-OG 2.93Å; C259-V277 HydrophobicContact CB-CG2 4.17Å; C259-L310 PolarHBondContact N-O 2.71Å; C259-L310 PolarHBondContact O-N 3.23Å; C259-R312 PolarHBondContact SG-NE 2.93Å; C259-R312 PolarHBondContact SG-NH2 3.16Å; C259-R312 VanDerWaalsContact SG-NH2 3.41Å |
| 260 | V | 97 | Very high | 77.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 135 | 174.5 | -173.7 | 0 | 0 | 0 | 0 | 109.4 | L221 L238 L262 Q274 S275 F286 A307 K308 V309 | L221-V260 HydrophobicContact CD1-CG2 4.28Å; L221-V260 HydrophobicContact CD2-CG1 4.42Å; L238-V260 HydrophobicContact CD1-CB 4.47Å; L238-V260 HydrophobicContact CD1-CG1 4.37Å; L238-V260 HydrophobicContact CD1-CG2 4.26Å; L238-V260 HydrophobicContact CD2-CB 3.62Å; L238-V260 HydrophobicContact CD2-CG1 4.22Å; L238-V260 HydrophobicContact CD2-CG2 3.79Å; V260-L262 HydrophobicContact CG1-CD2 3.83Å; V260-L262 HydrophobicContact CG1-CG 4.22Å; V260-Q274 WeakPolarHBondContact O-CA 3.38Å; V260-S275 PolarHBondContact N-OG 3.2Å; V260-S275 PolarHBondContact O-N 3.18Å; V260-F286 HydrophobicContact CG2-CD2 4.23Å; V260-F286 HydrophobicContact CG2-CE1 4.14Å; V260-F286 HydrophobicContact CG2-CE2 3.64Å; V260-F286 HydrophobicContact CG2-CZ 3.6Å; V260-A307 HydrophobicContact CG1-CB 4.39Å; V260-K308 CarbonylContact C-O 3.47Å; V260-K308 VanDerWaalsContact CA-O 3.29Å; V260-K308 WeakPolarHBondContact CA-O 3.15Å; V260-V309 HydrophobicContact CG2-CG1 4.34Å; V260-V309 HydrophobicContact CG2-CG2 4.09Å |
| 261 | V | 96.6 | Very high | 78.4 | Confident | 2 Ų | 2 | 64.7 Ų | 64.7 | 1% | 0.012 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 124.9 | 176 | 165 | 0 | 0 | 0 | 0 | 108.3 | R263 E272 Q273 Q274 A307 K308 L310 | V261-R263 HydrophobicContact CG1-CG 3.98Å; V261-E272 HydrophobicContact CG1-CG 3.53Å; V261-E272 WeakPolarHBondContact CG1-OE1 3.42Å; V261-Q273 CarbonylContact C-O 3.53Å; V261-Q274 HydrophobicContact CG2-CG 3.99Å; V261-A307 CarbonylContact O-C 3.58Å; V261-A307 VanDerWaalsContact O-CA 3.29Å; V261-A307 WeakPolarHBondContact O-CA 3.38Å; V261-K308 HydrophobicContact CB-CB 4.24Å; V261-K308 PolarHBondContact N-O 3.36Å; V261-K308 PolarHBondContact O-N 3.29Å; V261-L310 HydrophobicContact CG2-CD1 3.85Å |
| 262 | L | 95.9 | Very high | 80.2 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 131.8 | -176.4 | -60.9 | 176.8 | 0 | 0 | 0 | 111.2 | L236 V260 Q273 F290 F292 L305 A307 | L236-L262 HydrophobicContact CD2-CD1 3.62Å; V260-L262 HydrophobicContact CG1-CD2 3.83Å; V260-L262 HydrophobicContact CG1-CG 4.22Å; L262-Q273 PolarHBondContact N-O 3.06Å; L262-Q273 PolarHBondContact O-N 3.48Å; L262-F290 HydrophobicContact CD1-CB 4.31Å; L262-F290 HydrophobicContact CD1-CD1 4.17Å; L262-F290 HydrophobicContact CD1-CD2 3.33Å; L262-F290 HydrophobicContact CD1-CE1 4.33Å; L262-F290 HydrophobicContact CD1-CE2 3.54Å; L262-F290 HydrophobicContact CD1-CG 3.66Å; L262-F290 HydrophobicContact CD1-CZ 4.03Å; L262-F292 HydrophobicContact CB-CZ 4.44Å; L262-L305 HydrophobicContact CB-CD1 4.4Å; L262-L305 HydrophobicContact CD2-CD1 4.48Å; L262-A307 HydrophobicContact CD2-CB 3.49Å; L262-A307 VanDerWaalsContact CD2-CB 3.49Å |
| 263 | R | 93.8 | Very high | 82.1 | Confident | 25 Ų | 25 | 59.4 Ų | 59.4 | 9% | 0.094 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 143.3 | -172.9 | -44.8 | -171.3 | -62.8 | -141.7 | -3.4 | 111.1 | V261 E272 R306 K308 | V261-R263 HydrophobicContact CG1-CG 3.98Å; R263-E272 WeakPolarHBondContact CD-OE2 3.43Å; R263-E272 HydrophobicContact CG-CB 4.22Å; R263-E272 HydrophobicContact CG-CG 3.85Å; R263-E272 IonicContact CZ-OE2 3.67Å; R263-E272 IonicContact NE-OE2 3.56Å; R263-E272 IonicContact NH1-OE1 3.06Å; R263-E272 PolarHBondContact NH1-OE1 2.7Å; R263-E272 IonicContact NH1-OE2 3.25Å; R263-E272 PolarHBondContact NH1-OE2 3.47Å; R263-R306 PolarHBondContact N-O 2.88Å; R263-R306 PolarHBondContact O-N 2.98Å; R263-K308 VanDerWaalsContact NH2-CE 3.27Å |
| 264 | L | 93.8 | Very high | 83.9 | Confident | 21 Ų | 21 | 61.7 Ų | 61.7 | 11% | 0.11 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 142.7 | 170.2 | -58.9 | -176.7 | 0 | 0 | 0 | 111.3 | F292 L295 T304 L305 L329 | L264-F292 HydrophobicContact CD1-CB 3.89Å; L264-F292 HydrophobicContact CD1-CD1 3.55Å; L264-F292 HydrophobicContact CD1-CE1 4.22Å; L264-F292 HydrophobicContact CD1-CG 3.75Å; L264-F292 HydrophobicContact CD2-CD1 4.49Å; L264-F292 HydrophobicContact CD2-CE1 4.47Å; L264-F292 HydrophobicContact CG-CD1 3.72Å; L264-F292 HydrophobicContact CG-CE1 3.85Å; L264-F292 HydrophobicContact CG-CG 4.21Å; L264-F292 HydrophobicContact CG-CZ 4.45Å; L264-L295 HydrophobicContact CD1-CD1 4.02Å; L264-L295 HydrophobicContact CD1-CD2 3.88Å; L264-L295 HydrophobicContact CD1-CG 4.5Å; L264-T304 CarbonylContact C-O 3.57Å; L264-T304 WeakPolarHBondContact CA-O 3.1Å; L264-L305 HydrophobicContact CD2-CB 4.39Å; L264-L305 HydrophobicContact CD2-CD1 4.03Å; L264-L329 HydrophobicContact CD1-CD1 4.44Å; L264-L329 HydrophobicContact CD2-CD1 4.06Å; L264-L329 HydrophobicContact CD2-CD2 3.82Å; L264-L329 HydrophobicContact CD2-CG 4.3Å |
| 265 | R | 92.6 | Very high | 85.7 | Confident | 79 Ų | 79 | 59.2 Ų | 59.2 | 30% | 0.298 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.7 | 174.9 | -72 | 176.1 | 153.8 | -159.9 | -23.5 | 109.4 | R303 T304 R306 E326 | R265-R303 CarbonylContact O-C 3.46Å; R265-R303 WeakPolarHBondContact O-CA 3.32Å; R265-R303 WeakPolarHBondContact O-CB 3.3Å; R265-T304 WeakPolarHBondContact CB-OG1 3.14Å; R265-T304 PolarHBondContact N-O 3.34Å; R265-T304 PolarHBondContact O-N 3.43Å; R265-R306 VanDerWaalsContact CZ-CD 3.45Å; R265-E326 VanDerWaalsContact CD-OE1 3.32Å; R265-E326 WeakPolarHBondContact CD-OE1 3.1Å; R265-E326 IonicContact CZ-OE2 2.83Å; R265-E326 IonicContact NH1-OE1 2.84Å; R265-E326 IonicContact NH1-OE2 3.71Å; R265-E326 PolarHBondContact NH1-OE2 3.07Å |
| 266 | P | 86.9 | Confident | 86.9 | Confident | 87 Ų | 87 | 63.7 Ų | 63.7 | 57% | 0.565 | 30% | 0.301 | S | S | * | . | S | Bend | cis | -63.1 | 151.2 | -9.6 | 27.7 | -34.5 | 0 | 0 | 0 | 111.9 | V268 | P266-V268 PolarHBondContact O-N 3.28Š|
| 267 | R | 74.8 | Confident | 87.5 | Confident | 138 Ų | 138 | 65.6 Ų | 65.6 | 52% | 0.521 | 31% | 0.306 | S | S | . | . | trans | -79.8 | 106.5 | -175.5 | -70.4 | 179.3 | 175.3 | -174.4 | -5.8 | 109.6 | E272 | R267-E272 IonicContact NH2-OE2 2.73Š| ||
| 268 | V | 62.9 | Low | 87.6 | Confident | 104 Ų | 104 | 66.7 Ų | 66.7 | 63% | 0.63 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -83 | -30.7 | 164.8 | -173.4 | 0 | 0 | 0 | 0 | 110.3 | P266 | P266-V268 PolarHBondContact O-N 3.28Š|
| 269 | R | 64.1 | Low | 87.5 | Confident | 212 Ų | 212 | 75.5 Ų | 75.5 | 80% | 0.8 | 35% | 0.35 | S | S | * | . | S | Bend | trans | -141.8 | 145.5 | 174.2 | -63.9 | -174.9 | -178.5 | -178.3 | 0.5 | 110.8 | R271 | R269-R271 PolarHBondContact O-N 3.23Š|
| 270 | P | 59.8 | Low | 87.2 | Confident | 118 Ų | 118 | 77.1 Ų | 77.1 | 77% | 0.766 | 36% | 0.36 | S | S | * | . | trans | -79.8 | 36.8 | -173.7 | 33.3 | -36.6 | 0 | 0 | 0 | 114.2 | E272 | P270-E272 PolarHBondContact O-N 3.48Š| ||
| 271 | R | 74.9 | Confident | 86.8 | Confident | 170 Ų | 170 | 79.7 Ų | 79.7 | 64% | 0.642 | 38% | 0.378 | S | S | * | . | trans | -82.4 | 91.1 | -179.3 | -160.9 | 173.8 | -177.9 | -164.1 | 1 | 110.5 | R269 | R269-R271 PolarHBondContact O-N 3.23Š| ||
| 272 | E | 87.9 | Confident | 86.6 | Confident | 91 Ų | 91 | 80.6 Ų | 80.6 | 43% | 0.425 | 39% | 0.387 | S | S | . | . | trans | -79 | 126.9 | 165.5 | -178.7 | 157.6 | 157 | 0 | 0 | 108.7 | V261 R263 R267 P270 | V261-E272 HydrophobicContact CG1-CG 3.53Å; V261-E272 WeakPolarHBondContact CG1-OE1 3.42Å; R263-E272 WeakPolarHBondContact CD-OE2 3.43Å; R263-E272 HydrophobicContact CG-CB 4.22Å; R263-E272 HydrophobicContact CG-CG 3.85Å; R263-E272 IonicContact CZ-OE2 3.67Å; R263-E272 IonicContact NE-OE2 3.56Å; R263-E272 IonicContact NH1-OE1 3.06Å; R263-E272 PolarHBondContact NH1-OE1 2.7Å; R263-E272 IonicContact NH1-OE2 3.25Å; R263-E272 PolarHBondContact NH1-OE2 3.47Å; R267-E272 IonicContact NH2-OE2 2.73Å; P270-E272 PolarHBondContact O-N 3.48Å | ||
| 273 | Q | 94.2 | Very high | 86.5 | Confident | 23 Ų | 23 | 85 Ų | 85 | 11% | 0.107 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 137.3 | 174.6 | -65.1 | -174.6 | -6.8 | 0 | 0 | 108.6 | V261 L262 F290 F291 F292 | V261-Q273 CarbonylContact C-O 3.53Å; L262-Q273 PolarHBondContact N-O 3.06Å; L262-Q273 PolarHBondContact O-N 3.48Å; Q273-F290 HydrophobicContact CB-CD1 3.67Å; Q273-F290 HydrophobicContact CB-CE1 4.02Å; Q273-F290 VanDerWaalsContact OE1-CB 3.3Å; Q273-F291 PolarHBondContact NE2-O 3.33Å; Q273-F292 HydrophobicContact CG-CE1 4.44Å |
| 274 | Q | 95.5 | Very high | 86.6 | Confident | 87 Ų | 87 | 83.9 Ų | 83.9 | 41% | 0.407 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 138 | -175.4 | -170.5 | -164.3 | -55.3 | 0 | 0 | 109.3 | C259 V260 V261 | C259-Q274 HydrophobicContact CB-CG 4.49Å; V260-Q274 WeakPolarHBondContact O-CA 3.38Å; V261-Q274 HydrophobicContact CG2-CG 3.99Å |
| 275 | S | 96.9 | Very high | 86.7 | Confident | 4 Ų | 4 | 87.8 Ų | 87.8 | 3% | 0.028 | 43% | 0.426 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 163.7 | 172.6 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | C259 V260 F286 E288 | C259-S275 WeakPolarHBondContact CA-OG 2.93Å; V260-S275 PolarHBondContact N-OG 3.2Å; V260-S275 PolarHBondContact O-N 3.18Å; S275-F286 WeakPolarHBondContact OG-CD1 3.32Å; S275-F286 WeakPolarHBondContact OG-CE1 2.9Å; S275-E288 WeakPolarHBondContact CA-OE2 3.22Å; S275-E288 VanDerWaalsContact CB-OE2 3.25Å; S275-E288 WeakPolarHBondContact CB-OE2 3.13Å |
| 276 | R | 95.3 | Very high | 86.9 | Confident | 138 Ų | 138 | 84 Ų | 84 | 52% | 0.521 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -52.9 | 149.6 | 159.1 | 68.6 | -172.7 | 178.7 | 163.6 | 0.3 | 111 | V278 F286 E288 | R276-V278 HydrophobicContact CG-CG1 3.98Å; R276-F286 PolarHBondContact NE-O 3.04Å; R276-F286 PolarHBondContact NH2-O 2.84Å; R276-E288 WeakPolarHBondContact CG-OE2 3.49Å; R276-E288 PolarHBondContact N-OE2 2.89Å |
| 277 | V | 95 | Very high | 87.4 | Confident | 74 Ų | 74 | 83.5 Ų | 83.5 | 45% | 0.448 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 122.4 | 174.2 | -176 | 0 | 0 | 0 | 0 | 108 | G256 C258 C259 R312 | G256-V277 VanDerWaalsContact O-CG1 3.28Å; G256-V277 WeakPolarHBondContact O-CG1 3.23Å; C258-V277 WeakPolarHBondContact O-CA 3.33Å; C259-V277 HydrophobicContact CB-CG2 4.17Å; V277-R312 HydrophobicContact CG1-CG 4.29Å; V277-R312 HydrophobicContact CG2-CG 4.37Å |
| 278 | V | 93.8 | Very high | 88.4 | Confident | 27 Ų | 27 | 79.3 Ų | 79.3 | 16% | 0.164 | 39% | 0.391 | C | S | . | . | B | Isolated β-bridge | trans | -113.1 | 167.4 | 177.8 | -56.6 | 0 | 0 | 0 | 0 | 110.2 | G257 C258 R276 C280 P284 F286 | G257-V278 CarbonylContact C-O 3.54Å; G257-V278 WeakPolarHBondContact CA-O 3.4Å; C258-V278 HydrophobicContact CB-CG2 4.15Å; C258-V278 PolarHBondContact N-O 3.2Å; C258-V278 PolarHBondContact O-N 3.21Å; R276-V278 HydrophobicContact CG-CG1 3.98Å; V278-C280 PolarHBondContact O-N 3.13Å; V278-P284 HydrophobicContact CG2-CB 3.58Å; V278-F286 HydrophobicContact CB-CE1 4.46Å; V278-F286 HydrophobicContact CG1-CD1 3.99Å; V278-F286 HydrophobicContact CG1-CE1 4.17Å; V278-F286 HydrophobicContact CG2-CD1 4.09Å; V278-F286 HydrophobicContact CG2-CE1 3.51Å; V278-F286 HydrophobicContact CG2-CZ 3.85Å |
| 279 | K | 90.6 | Very high | 90 | Very high | 186 Ų | 186 | 77 Ų | 77 | 81% | 0.809 | 37% | 0.374 | S | S | * | . | trans | -60.1 | 129.7 | 175.9 | -176 | 176.1 | 178.6 | 177.2 | 0 | 110.5 | S281 | K279-S281 PolarHBondContact O-N 2.94Š| ||
| 280 | C | 88.1 | Confident | 91.5 | Very high | 33 Ų | 33 | 67.3 Ų | 67.3 | 22% | 0.223 | 34% | 0.338 | C | S | . | . | trans | -60.6 | 122.3 | 173 | -81.9 | 0 | 0 | 0 | 0 | 110.7 | G257 C258 V278 D311 | G257-C280 VanDerWaalsContact CA-SG 3.59Å; G257-C280 PolarHBondContact O-SG 2.84Å; C258-C280 PolarHBondContact N-SG 3.44Å; V278-C280 PolarHBondContact O-N 3.13Å; C280-D311 PolarHBondContact SG-OD1 3.03Å | ||
| 281 | S | 89.9 | Confident | 93.2 | Very high | 54 Ų | 54 | 65.6 Ų | 65.6 | 38% | 0.378 | 32% | 0.319 | S | S | . | . | trans | -147.1 | 175.8 | 174.6 | 78 | 0 | 0 | 0 | 0 | 109.1 | K279 N283 P284 | K279-S281 PolarHBondContact O-N 2.94Å; S281-N283 PolarHBondContact O-N 2.86Å; S281-N283 PolarHBondContact OG-N 3.49Å; S281-N283 VanDerWaalsContact OG-N 3.13Å; S281-N283 PolarHBondContact OG-O 3.1Å; S281-P284 WeakPolarHBondContact O-CD 3.46Å | ||
| 282 | A | 91.4 | Very high | 94 | Very high | 22 Ų | 22 | 58.3 Ų | 58.3 | 18% | 0.182 | 29% | 0.292 | C | S | . | . | S | Bend | trans | -68.1 | -23.9 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E242 G243 L244 | E242-A282 CarbonylContact C-O 3.6Å; G243-A282 PolarHBondContact N-O 2.82Å; L244-A282 PolarHBondContact N-O 3.25Å |
| 283 | N | 94.4 | Very high | 94.2 | Very high | 91 Ų | 91 | 57.6 Ų | 57.6 | 49% | 0.487 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -135.8 | 66.3 | -174.7 | -55 | -52.8 | 0 | 0 | 0 | 111.6 | A241 E242 G243 S281 | A241-N283 CarbonylContact O-C 3.53Å; A241-N283 WeakPolarHBondContact O-CA 3.44Å; E242-N283 VanDerWaalsContact CA-OD1 3.3Å; E242-N283 WeakPolarHBondContact CA-OD1 3.29Å; G243-N283 PolarHBondContact N-OD1 3.33Å; S281-N283 PolarHBondContact O-N 2.86Å; S281-N283 PolarHBondContact OG-N 3.49Å; S281-N283 VanDerWaalsContact OG-N 3.13Å; S281-N283 PolarHBondContact OG-O 3.1Å |
| 284 | P | 94.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.019 | 31% | 0.313 | C | S | . | . | trans | -70.9 | 138.5 | 178.8 | 28.5 | -34.7 | 0 | 0 | 0 | 111.4 | S240 A241 L244 C258 V278 S281 F286 | S240-P284 CarbonylContact C-O 3.32Å; S240-P284 VanDerWaalsContact CA-O 3.29Å; S240-P284 WeakPolarHBondContact CA-O 2.92Å; S240-P284 WeakPolarHBondContact CB-O 3.23Å; A241-P284 HydrophobicContact CB-CG 4Å; A241-P284 PolarHBondContact N-O 2.96Å; A241-P284 VanDerWaalsContact O-CD 3.23Å; A241-P284 WeakPolarHBondContact O-CD 3.49Å; L244-P284 HydrophobicContact CD1-CG 3.56Å; C258-P284 HydrophobicContact CB-CB 4.38Å; C258-P284 HydrophobicContact CB-CG 4.43Å; V278-P284 HydrophobicContact CG2-CB 3.58Å; S281-P284 WeakPolarHBondContact O-CD 3.46Å; P284-F286 HydrophobicContact CB-CE2 4Å; P284-F286 HydrophobicContact CB-CZ 3.97Å; P284-F286 HydrophobicContact CG-CE2 3.91Å; P284-F286 HydrophobicContact CG-CZ 4.05Å | ||
| 285 | I | 96.8 | Very high | 93.6 | Very high | 102 Ų | 102 | 55.1 Ų | 55.1 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 125.6 | 179.3 | -58.3 | 173.8 | 0 | 0 | 0 | 108.8 | N287 | I285-N287 VanDerWaalsContact CG2-ND2 3.34Å; I285-N287 WeakPolarHBondContact CG2-ND2 3.34Å |
| 286 | F | 97.1 | Very high | 93.2 | Very high | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | -47.3 | -176.6 | -61.5 | -83.1 | 0 | 0 | 0 | 111.7 | L238 V239 A241 C258 V260 S275 R276 V278 P284 E288 | L238-F286 HydrophobicContact CB-CB 4.47Å; L238-F286 HydrophobicContact CD1-CD2 4.32Å; L238-F286 HydrophobicContact CD2-CB 3.64Å; L238-F286 HydrophobicContact CD2-CD1 4.07Å; L238-F286 HydrophobicContact CD2-CD2 3.79Å; L238-F286 HydrophobicContact CD2-CG 3.55Å; L238-F286 HydrophobicContact CG-CB 3.73Å; L238-F286 HydrophobicContact CG-CD2 3.91Å; L238-F286 HydrophobicContact CG-CG 3.95Å; V239-F286 PolarHBondContact O-N 3.03Å; A241-F286 HydrophobicContact CB-CE2 4.31Å; C258-F286 HydrophobicContact CB-CZ 4.47Å; V260-F286 HydrophobicContact CG2-CD2 4.23Å; V260-F286 HydrophobicContact CG2-CE1 4.14Å; V260-F286 HydrophobicContact CG2-CE2 3.64Å; V260-F286 HydrophobicContact CG2-CZ 3.6Å; S275-F286 WeakPolarHBondContact OG-CD1 3.32Å; S275-F286 WeakPolarHBondContact OG-CE1 2.9Å; R276-F286 PolarHBondContact NE-O 3.04Å; R276-F286 PolarHBondContact NH2-O 2.84Å; V278-F286 HydrophobicContact CB-CE1 4.46Å; V278-F286 HydrophobicContact CG1-CD1 3.99Å; V278-F286 HydrophobicContact CG1-CE1 4.17Å; V278-F286 HydrophobicContact CG2-CD1 4.09Å; V278-F286 HydrophobicContact CG2-CE1 3.51Å; V278-F286 HydrophobicContact CG2-CZ 3.85Å; P284-F286 HydrophobicContact CB-CE2 4Å; P284-F286 HydrophobicContact CB-CZ 3.97Å; P284-F286 HydrophobicContact CG-CE2 3.91Å; P284-F286 HydrophobicContact CG-CZ 4.05Å; F286-E288 VanDerWaalsContact C-N 3.28Å; F286-E288 PolarHBondContact O-N 3.24Å |
| 287 | N | 96.8 | Very high | 92.8 | Very high | 76 Ų | 76 | 54.3 Ų | 54.3 | 41% | 0.406 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 44.4 | 51.4 | -176.2 | -69.7 | -28.8 | 0 | 0 | 0 | 113.2 | L238 V239 I285 | L238-N287 CarbonylContact O-C 3.5Å; L238-N287 WeakPolarHBondContact O-CA 3.43Å; L238-N287 PolarHBondContact O-N 2.9Å; V239-N287 PolarHBondContact O-N 2.78Å; V239-N287 VanDerWaalsContact O-N 3.1Å; V239-N287 PolarHBondContact O-OD1 2.78Å; I285-N287 VanDerWaalsContact CG2-ND2 3.34Å; I285-N287 WeakPolarHBondContact CG2-ND2 3.34Å |
| 288 | E | 97.1 | Very high | 92.5 | Very high | 51 Ų | 51 | 61.4 Ų | 61.4 | 24% | 0.238 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 136.6 | -173.6 | -172.7 | 172.6 | 176.7 | 0 | 0 | 111.1 | R237 L238 S275 R276 F286 F290 | R237-E288 CarbonylContact C-O 3.35Å; R237-E288 WeakPolarHBondContact CA-O 3.24Å; L238-E288 PolarHBondContact N-O 2.7Å; L238-E288 PolarHBondContact O-N 2.94Å; S275-E288 WeakPolarHBondContact CA-OE2 3.22Å; S275-E288 VanDerWaalsContact CB-OE2 3.25Å; S275-E288 WeakPolarHBondContact CB-OE2 3.13Å; R276-E288 WeakPolarHBondContact CG-OE2 3.49Å; R276-E288 PolarHBondContact N-OE2 2.89Å; F286-E288 VanDerWaalsContact C-N 3.28Å; F286-E288 PolarHBondContact O-N 3.24Å; E288-F290 HydrophobicContact CB-CE2 4.1Å; E288-F290 HydrophobicContact CB-CZ 4.42Å; E288-F290 HydrophobicContact CG-CE2 4.03Å; E288-F290 HydrophobicContact CG-CZ 3.98Å |
| 289 | D | 96.3 | Very high | 92.4 | Very high | 54 Ų | 54 | 62.2 Ų | 62.2 | 29% | 0.289 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 134.1 | -178.1 | -74.8 | -4.9 | 0 | 0 | 0 | 111.5 | R235 R237 F291 | R235-D289 IonicContact CZ-OD2 2.93Å; R235-D289 VanDerWaalsContact CZ-OD2 3.25Å; R235-D289 IonicContact NE-OD2 3.43Å; R235-D289 PolarHBondContact NE-OD2 2.97Å; R235-D289 IonicContact NH2-OD1 3.73Å; R235-D289 IonicContact NH2-OD2 3.93Å; R235-D289 PolarHBondContact NH2-OD2 2.79Å; R237-D289 WeakPolarHBondContact CB-OD1 3.41Å; R237-D289 WeakPolarHBondContact CD-OD1 3.47Å; R237-D289 WeakPolarHBondContact CG-OD1 3.29Å; D289-F291 HydrophobicContact CB-CE2 4.09Å; D289-F291 HydrophobicContact CB-CZ 4.12Å |
| 290 | F | 95.9 | Very high | 92.3 | Very high | 9 Ų | 9 | 53.6 Ų | 53.6 | 4% | 0.039 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 139 | 178.8 | -65.9 | -80.7 | 0 | 0 | 0 | 109.9 | R235 L236 L238 L262 Q273 E288 F292 | R235-F290 CarbonylContact C-O 3.59Å; R235-F290 WeakPolarHBondContact CA-O 3.43Å; L236-F290 HydrophobicContact CB-CB 4.44Å; L236-F290 HydrophobicContact CD2-CD2 4.27Å; L236-F290 PolarHBondContact N-O 2.95Å; L236-F290 WeakPolarHBondContact O-CB 3.5Å; L236-F290 PolarHBondContact O-N 3.4Å; L238-F290 HydrophobicContact CB-CD2 4.15Å; L238-F290 HydrophobicContact CB-CE2 3.68Å; L238-F290 HydrophobicContact CD2-CE2 4.01Å; L262-F290 HydrophobicContact CD1-CB 4.31Å; L262-F290 HydrophobicContact CD1-CD1 4.17Å; L262-F290 HydrophobicContact CD1-CD2 3.33Å; L262-F290 HydrophobicContact CD1-CE1 4.33Å; L262-F290 HydrophobicContact CD1-CE2 3.54Å; L262-F290 HydrophobicContact CD1-CG 3.66Å; L262-F290 HydrophobicContact CD1-CZ 4.03Å; Q273-F290 HydrophobicContact CB-CD1 3.67Å; Q273-F290 HydrophobicContact CB-CE1 4.02Å; Q273-F290 VanDerWaalsContact OE1-CB 3.3Å; E288-F290 HydrophobicContact CB-CE2 4.1Å; E288-F290 HydrophobicContact CB-CZ 4.42Å; E288-F290 HydrophobicContact CG-CE2 4.03Å; E288-F290 HydrophobicContact CG-CZ 3.98Å; F290-F292 HydrophobicContact CB-CE2 4.21Å |
| 291 | F | 94.3 | Very high | 92.4 | Very high | 83 Ų | 83 | 55.4 Ų | 55.4 | 36% | 0.364 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 127.2 | -176.5 | -59.9 | -82.4 | 0 | 0 | 0 | 110.9 | R233 L234 R235 Q273 D289 | R233-F291 HydrophobicContact CG-CD1 4.42Å; L234-F291 WeakPolarHBondContact O-CA 3.4Å; R235-F291 HydrophobicContact CB-CD1 4.01Å; R235-F291 HydrophobicContact CB-CE1 3.92Å; R235-F291 HydrophobicContact CG-CD1 4.14Å; R235-F291 HydrophobicContact CG-CE1 3.65Å; R235-F291 HydrophobicContact CG-CZ 4.3Å; Q273-F291 PolarHBondContact NE2-O 3.33Å; D289-F291 HydrophobicContact CB-CE2 4.09Å; D289-F291 HydrophobicContact CB-CZ 4.12Å |
| 292 | F | 92.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 56 Ų | 56 | 8% | 0.075 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 112.3 | 173.5 | -57.5 | -86 | 0 | 0 | 0 | 109.4 | R233 L234 L236 L262 L264 Q273 F290 L295 | R233-F292 WeakPolarHBondContact CA-O 3.3Å; L234-F292 HydrophobicContact CB-CB 4.3Å; L234-F292 HydrophobicContact CD2-CD2 4.15Å; L234-F292 PolarHBondContact N-O 2.93Å; L234-F292 PolarHBondContact O-N 2.71Å; L236-F292 HydrophobicContact CB-CE2 4.47Å; L262-F292 HydrophobicContact CB-CZ 4.44Å; L264-F292 HydrophobicContact CD1-CB 3.89Å; L264-F292 HydrophobicContact CD1-CD1 3.55Å; L264-F292 HydrophobicContact CD1-CE1 4.22Å; L264-F292 HydrophobicContact CD1-CG 3.75Å; L264-F292 HydrophobicContact CD2-CD1 4.49Å; L264-F292 HydrophobicContact CD2-CE1 4.47Å; L264-F292 HydrophobicContact CG-CD1 3.72Å; L264-F292 HydrophobicContact CG-CE1 3.85Å; L264-F292 HydrophobicContact CG-CG 4.21Å; L264-F292 HydrophobicContact CG-CZ 4.45Å; Q273-F292 HydrophobicContact CG-CE1 4.44Å; F290-F292 HydrophobicContact CB-CE2 4.21Å; F292-L295 HydrophobicContact CB-CD1 3.63Å; F292-L295 HydrophobicContact CB-CG 4.41Å |
| 293 | D | 91.4 | Very high | 92.5 | Very high | 76 Ų | 76 | 56.7 Ų | 56.7 | 41% | 0.406 | 32% | 0.32 | S | S | . | . | trans | -93.4 | 158 | -177.9 | -62.6 | -57.2 | 0 | 0 | 0 | 112.5 | R233 L295 | R233-D293 IonicContact CZ-OD1 3.25Å; R233-D293 IonicContact NE-OD1 3.99Å; R233-D293 PolarHBondContact NE-OD1 3.27Å; R233-D293 IonicContact NH2-OD1 2.71Å; R233-D293 PolarHBondContact NH2-OD1 3.17Å; R233-D293 IonicContact NH2-OD2 2.8Å; D293-L295 VanDerWaalsContact C-N 3.35Å | ||
| 294 | G | 88.6 | Confident | 92.6 | Very high | 56 Ų | 56 | 54.1 Ų | 54.1 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 69.5 | 33 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G232 | G232-G294 PolarHBondContact O-N 2.9Š|
| 295 | L | 89.3 | Confident | 92.6 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.01 | 31% | 0.307 | C | S | . | . | trans | -97.8 | 106.7 | 173.8 | -64.9 | 175.6 | 0 | 0 | 0 | 108.9 | Y227 G232 L234 L264 F292 D293 D299 L300 L329 | Y227-L295 HydrophobicContact CE2-CB 4.25Å; Y227-L295 WeakPolarHBondContact CE2-O 3.48Å; Y227-L295 PolarHBondContact OH-O 3Å; G232-L295 CarbonylContact C-O 3.57Å; G232-L295 VanDerWaalsContact CA-O 3.29Å; G232-L295 WeakPolarHBondContact CA-O 3.16Å; G232-L295 PolarHBondContact O-N 3.47Å; L234-L295 HydrophobicContact CB-CD1 3.51Å; L234-L295 HydrophobicContact CD2-CD1 4.13Å; L234-L295 HydrophobicContact CG-CD1 4.48Å; L264-L295 HydrophobicContact CD1-CD1 4.02Å; L264-L295 HydrophobicContact CD1-CD2 3.88Å; L264-L295 HydrophobicContact CD1-CG 4.5Å; F292-L295 HydrophobicContact CB-CD1 3.63Å; F292-L295 HydrophobicContact CB-CG 4.41Å; D293-L295 VanDerWaalsContact C-N 3.35Å; L295-D299 HydrophobicContact CD2-CB 4.05Å; L295-L300 HydrophobicContact CB-CD2 4.4Å; L295-L329 HydrophobicContact CD1-CD1 4.3Å | ||
| 296 | G | 88.3 | Confident | 92.6 | Very high | 24 Ų | 24 | 50.8 Ų | 50.8 | 25% | 0.247 | 29% | 0.288 | C | S | . | . | trans | -80.3 | 171.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | R298 D299 L300 | G296-R298 PolarHBondContact O-N 2.88Å; G296-D299 PolarHBondContact N-OD2 2.92Å; G296-D299 WeakPolarHBondContact O-CB 3.23Å; G296-D299 PolarHBondContact O-N 2.87Å; G296-L300 PolarHBondContact O-N 2.78Å; G296-L300 VanDerWaalsContact O-N 3.12Å | ||
| 297 | P | 86.9 | Confident | 92.5 | Very high | 101 Ų | 101 | 50.8 Ų | 50.8 | 66% | 0.656 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -55.4 | -37.3 | 176.3 | -27.3 | 35.1 | 0 | 0 | 0 | 113.8 | D299 L300 A301 | P297-D299 VanDerWaalsContact C-N 3.33Å; P297-D299 PolarHBondContact O-N 3.49Å; P297-L300 PolarHBondContact O-N 2.73Å; P297-A301 PolarHBondContact O-N 3.11Å |
| 298 | R | 88.8 | Confident | 92.5 | Very high | 223 Ų | 223 | 49.2 Ų | 49.2 | 84% | 0.842 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.5 | -36.7 | 175.2 | -65.4 | -176.9 | 178.9 | 179.6 | -0.5 | 112.3 | G296 A301 A302 | G296-R298 PolarHBondContact O-N 2.88Å; R298-A301 PolarHBondContact O-N 2.81Å; R298-A302 WeakPolarHBondContact O-CB 3.29Å; R298-A302 PolarHBondContact O-N 3.07Å |
| 299 | D | 90.1 | Very high | 92.5 | Very high | 44 Ų | 44 | 46.8 Ų | 46.8 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.8 | -34.9 | 176.6 | -67.9 | -61.7 | 0 | 0 | 0 | 112 | L295 G296 P297 A301 A302 R303 | L295-D299 HydrophobicContact CD2-CB 4.05Å; G296-D299 PolarHBondContact N-OD2 2.92Å; G296-D299 WeakPolarHBondContact O-CB 3.23Å; G296-D299 PolarHBondContact O-N 2.87Å; P297-D299 VanDerWaalsContact C-N 3.33Å; P297-D299 PolarHBondContact O-N 3.49Å; D299-A301 VanDerWaalsContact C-N 3.26Å; D299-A301 PolarHBondContact O-N 3.41Å; D299-A302 PolarHBondContact O-N 3.46Å; D299-R303 HydrophobicContact CB-CG 4.45Å; D299-R303 VanDerWaalsContact CG-NH2 3.27Å; D299-R303 WeakPolarHBondContact O-CB 3.34Å; D299-R303 VanDerWaalsContact O-CG 3.25Å; D299-R303 WeakPolarHBondContact O-CG 3.15Å; D299-R303 PolarHBondContact O-N 3.31Å; D299-R303 IonicContact OD1-CZ 3.31Å; D299-R303 VanDerWaalsContact OD1-CZ 3.25Å; D299-R303 IonicContact OD1-NE 3.81Å; D299-R303 PolarHBondContact OD1-NE 2.65Å; D299-R303 IonicContact OD1-NH2 3.85Å; D299-R303 PolarHBondContact OD1-NH2 3.11Å; D299-R303 IonicContact OD2-NH2 2.78Å |
| 300 | L | 89.6 | Confident | 92.3 | Very high | 4 Ų | 4 | 45.5 Ų | 45.5 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -33.6 | 176 | -64.3 | 178.3 | 0 | 0 | 0 | 112.3 | Y227 L295 G296 P297 L329 I330 L333 | Y227-L300 HydrophobicContact CD1-CD1 3.73Å; Y227-L300 HydrophobicContact CD2-CD1 3.96Å; Y227-L300 HydrophobicContact CD2-CD2 4.04Å; Y227-L300 HydrophobicContact CD2-CG 4.5Å; Y227-L300 HydrophobicContact CE1-CD1 3.57Å; Y227-L300 HydrophobicContact CE2-CD1 3.82Å; Y227-L300 HydrophobicContact CE2-CD2 4.06Å; Y227-L300 HydrophobicContact CE2-CG 4.22Å; Y227-L300 HydrophobicContact CG-CD1 3.9Å; L295-L300 HydrophobicContact CB-CD2 4.4Å; G296-L300 PolarHBondContact O-N 2.78Å; G296-L300 VanDerWaalsContact O-N 3.12Å; P297-L300 PolarHBondContact O-N 2.73Å; L300-L329 HydrophobicContact CD2-CB 4.28Å; L300-L329 HydrophobicContact CD2-CD1 4.05Å; L300-L329 WeakPolarHBondContact O-CB 3.47Å; L300-I330 PolarHBondContact O-N 3.01Å; L300-L333 HydrophobicContact CD1-CD1 3.65Å; L300-L333 HydrophobicContact CD2-CD1 3.91Å; L300-L333 HydrophobicContact CG-CD1 4.26Å |
| 301 | A | 89.5 | Confident | 92.1 | Very high | 71 Ų | 71 | 45.8 Ų | 45.8 | 59% | 0.587 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -77.8 | -37 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P297 R298 D299 | P297-A301 PolarHBondContact O-N 3.11Å; R298-A301 PolarHBondContact O-N 2.81Å; D299-A301 VanDerWaalsContact C-N 3.26Å; D299-A301 PolarHBondContact O-N 3.41Å |
| 302 | A | 91.4 | Very high | 92 | Very high | 68 Ų | 68 | 44.6 Ų | 44.6 | 56% | 0.562 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -86.5 | -20.1 | -174 | 0 | 0 | 0 | 0 | 0 | 114.5 | R298 D299 | R298-A302 WeakPolarHBondContact O-CB 3.29Å; R298-A302 PolarHBondContact O-N 3.07Å; D299-A302 PolarHBondContact O-N 3.46Å |
| 303 | R | 93.1 | Very high | 91.7 | Very high | 36 Ų | 36 | 44.7 Ų | 44.7 | 14% | 0.136 | 26% | 0.26 | C | S | . | . | trans | -104.7 | 147.3 | -172.5 | -60.6 | -179.1 | -168 | -169.6 | 8.1 | 113.4 | R265 D299 L329 | R265-R303 CarbonylContact O-C 3.46Å; R265-R303 WeakPolarHBondContact O-CA 3.32Å; R265-R303 WeakPolarHBondContact O-CB 3.3Å; D299-R303 HydrophobicContact CB-CG 4.45Å; D299-R303 VanDerWaalsContact CG-NH2 3.27Å; D299-R303 WeakPolarHBondContact O-CB 3.34Å; D299-R303 VanDerWaalsContact O-CG 3.25Å; D299-R303 WeakPolarHBondContact O-CG 3.15Å; D299-R303 PolarHBondContact O-N 3.31Å; D299-R303 IonicContact OD1-CZ 3.31Å; D299-R303 VanDerWaalsContact OD1-CZ 3.25Å; D299-R303 IonicContact OD1-NE 3.81Å; D299-R303 PolarHBondContact OD1-NE 2.65Å; D299-R303 IonicContact OD1-NH2 3.85Å; D299-R303 PolarHBondContact OD1-NH2 3.11Å; D299-R303 IonicContact OD2-NH2 2.78Å; R303-L329 HydrophobicContact CB-CD1 3.89Å; R303-L329 HydrophobicContact CB-CG 4.39Å; R303-L329 WeakPolarHBondContact O-CG 3.48Å; R303-L329 PolarHBondContact O-N 3.05Å | ||
| 304 | T | 95.2 | Very high | 91.3 | Very high | 36 Ų | 36 | 43.1 Ų | 43.1 | 22% | 0.221 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 142.2 | 174.2 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | L264 R265 E326 T327 P328 | L264-T304 CarbonylContact C-O 3.57Å; L264-T304 WeakPolarHBondContact CA-O 3.1Å; R265-T304 WeakPolarHBondContact CB-OG1 3.14Å; R265-T304 PolarHBondContact N-O 3.34Å; R265-T304 PolarHBondContact O-N 3.43Å; T304-E326 PolarHBondContact OG1-OE1 3.45Å; T304-T327 CarbonylContact C-O 3.42Å; T304-T327 WeakPolarHBondContact CA-O 3.26Å; T304-P328 HydrophobicContact CG2-CB 4.35Å |
| 305 | L | 95.9 | Very high | 90.9 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.005 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 124.6 | 166.1 | 178.2 | 73.3 | 0 | 0 | 0 | 108.6 | L223 L236 L262 L264 E326 T327 L329 L332 | L223-L305 HydrophobicContact CD1-CD2 3.82Å; L236-L305 HydrophobicContact CD1-CD1 4.15Å; L236-L305 HydrophobicContact CD1-CD2 3.39Å; L236-L305 HydrophobicContact CD1-CG 4.39Å; L262-L305 HydrophobicContact CB-CD1 4.4Å; L262-L305 HydrophobicContact CD2-CD1 4.48Å; L264-L305 HydrophobicContact CD2-CB 4.39Å; L264-L305 HydrophobicContact CD2-CD1 4.03Å; L305-E326 CarbonylContact O-C 3.59Å; L305-E326 VanDerWaalsContact O-CA 3.3Å; L305-E326 WeakPolarHBondContact O-CA 3.24Å; L305-T327 PolarHBondContact N-O 3.47Å; L305-T327 PolarHBondContact O-N 3.2Å; L305-L329 HydrophobicContact CB-CD2 3.95Å; L305-L332 HydrophobicContact CB-CD1 3.91Å; L305-L332 HydrophobicContact CD2-CD1 3.57Å; L305-L332 HydrophobicContact CG-CD1 4.41Å |
| 306 | R | 95.9 | Very high | 90.4 | Very high | 35 Ų | 35 | 53 Ų | 53 | 13% | 0.132 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 121.9 | 166.1 | -175.9 | 169.8 | -177.1 | -165.1 | 13.1 | 109.6 | R263 R265 K308 E324 C325 E326 | R263-R306 PolarHBondContact N-O 2.88Å; R263-R306 PolarHBondContact O-N 2.98Å; R265-R306 VanDerWaalsContact CZ-CD 3.45Å; R306-K308 VanDerWaalsContact NH2-NZ 3.16Å; R306-E324 IonicContact CZ-OE2 3.47Å; R306-E324 IonicContact NE-OE2 2.75Å; R306-E324 IonicContact NH2-OE1 2.88Å; R306-E324 IonicContact NH2-OE2 3.34Å; R306-E324 PolarHBondContact NH2-OE2 3.1Å; R306-C325 WeakPolarHBondContact CA-O 3.34Å; R306-E326 HydrophobicContact CB-CG 4.44Å |
| 307 | A | 96.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 139 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | L221 V260 V261 L262 E324 C325 | L221-A307 HydrophobicContact CD2-CB 3.53Å; V260-A307 HydrophobicContact CG1-CB 4.39Å; V261-A307 CarbonylContact O-C 3.58Å; V261-A307 VanDerWaalsContact O-CA 3.29Å; V261-A307 WeakPolarHBondContact O-CA 3.38Å; L262-A307 HydrophobicContact CD2-CB 3.49Å; L262-A307 VanDerWaalsContact CD2-CB 3.49Å; A307-E324 VanDerWaalsContact O-CA 3.24Å; A307-E324 WeakPolarHBondContact O-CA 3.31Å; A307-E324 WeakPolarHBondContact O-CB 3.42Å; A307-C325 PolarHBondContact N-O 3.3Å; A307-C325 PolarHBondContact O-N 3Å |
| 308 | K | 96.3 | Very high | 90.3 | Very high | 42 Ų | 42 | 64.8 Ų | 64.8 | 18% | 0.183 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 125.2 | 174.2 | -64.1 | -170.9 | 166.7 | -154.1 | 0 | 110.3 | V260 V261 R263 R306 L321 E324 | V260-K308 CarbonylContact C-O 3.47Å; V260-K308 VanDerWaalsContact CA-O 3.29Å; V260-K308 WeakPolarHBondContact CA-O 3.15Å; V261-K308 HydrophobicContact CB-CB 4.24Å; V261-K308 PolarHBondContact N-O 3.36Å; V261-K308 PolarHBondContact O-N 3.29Å; R263-K308 VanDerWaalsContact NH2-CE 3.27Å; R306-K308 VanDerWaalsContact NH2-NZ 3.16Å; K308-L321 HydrophobicContact CB-CD1 4.04Å; K308-L321 HydrophobicContact CD-CD1 4.39Å; K308-L321 HydrophobicContact CG-CD1 4.35Å; K308-E324 WeakPolarHBondContact CE-OE2 3.39Å; K308-E324 HydrophobicContact CG-CB 4.08Å; K308-E324 IonicContact NZ-OE2 2.9Å |
| 309 | V | 95.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 122.1 | 174.8 | -170.2 | 0 | 0 | 0 | 0 | 108.4 | L214 L221 L244 C258 V260 L322 G323 | L214-V309 HydrophobicContact CD1-CG2 3.76Å; L214-V309 HydrophobicContact CD2-CG2 4.07Å; L221-V309 HydrophobicContact CD1-CG2 4.24Å; L244-V309 HydrophobicContact CD1-CG1 3.79Å; L244-V309 HydrophobicContact CD2-CG1 4.18Å; C258-V309 VanDerWaalsContact SG-CG1 3.54Å; V260-V309 HydrophobicContact CG2-CG1 4.34Å; V260-V309 HydrophobicContact CG2-CG2 4.09Å; V309-L322 HydrophobicContact CB-CB 4.33Å; V309-L322 HydrophobicContact CG1-CB 4.2Å; V309-L322 HydrophobicContact CG1-CD1 4.21Å; V309-L322 PolarHBondContact O-N 3.06Å; V309-G323 PolarHBondContact N-O 3.25Å; V309-G323 PolarHBondContact O-N 3.48Å |
| 310 | L | 93.8 | Very high | 90.5 | Very high | 27 Ų | 27 | 58.2 Ų | 58.2 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 137.6 | -175 | -55.4 | 177 | 0 | 0 | 0 | 110.2 | C258 C259 V261 V320 L321 | C258-L310 CarbonylContact C-O 3.59Å; C258-L310 VanDerWaalsContact CA-O 3.3Å; C258-L310 WeakPolarHBondContact CA-O 3.3Å; C259-L310 PolarHBondContact N-O 2.71Å; C259-L310 PolarHBondContact O-N 3.23Å; V261-L310 HydrophobicContact CG2-CD1 3.85Å; L310-V320 WeakPolarHBondContact CA-O 3.13Å; L310-L321 HydrophobicContact CD2-CB 4.28Å; L310-L321 HydrophobicContact CD2-CD1 3.69Å |
| 311 | D | 91.8 | Very high | 90.6 | Very high | 16 Ų | 16 | 60.8 Ų | 60.8 | 9% | 0.086 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 113.1 | 162.1 | 178.9 | 14 | 0 | 0 | 0 | 108 | P247 C280 D319 V320 L322 | P247-D311 WeakPolarHBondContact CB-OD2 3.45Å; P247-D311 WeakPolarHBondContact CG-OD2 3.43Å; C280-D311 PolarHBondContact SG-OD1 3.03Å; D311-D319 CarbonylContact O-C 3.57Å; D311-D319 WeakPolarHBondContact O-CA 3.44Å; D311-V320 HydrophobicContact CB-CB 4.32Å; D311-V320 PolarHBondContact N-O 2.93Å; D311-V320 PolarHBondContact O-N 3Å; D311-L322 HydrophobicContact CB-CD1 4.01Å; D311-L322 HydrophobicContact CB-CD2 3.88Å; D311-L322 HydrophobicContact CB-CG 3.92Å |
| 312 | R | 90.7 | Very high | 90.7 | Very high | 58 Ų | 58 | 57.6 Ų | 57.6 | 22% | 0.219 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 130.8 | -179.7 | -67.5 | -64.3 | -174 | 168.4 | -2.2 | 109.8 | G256 G257 C259 V277 D319 | G256-R312 WeakPolarHBondContact CA-O 3.49Å; G256-R312 PolarHBondContact N-O 3.23Å; G257-R312 VanDerWaalsContact O-CB 3.24Å; G257-R312 WeakPolarHBondContact O-CB 3.23Å; G257-R312 WeakPolarHBondContact O-CG 3.47Å; G257-R312 PolarHBondContact O-N 2.8Å; C259-R312 PolarHBondContact SG-NE 2.93Å; C259-R312 PolarHBondContact SG-NH2 3.16Å; C259-R312 VanDerWaalsContact SG-NH2 3.41Å; V277-R312 HydrophobicContact CG1-CG 4.29Å; V277-R312 HydrophobicContact CG2-CG 4.37Å; R312-D319 WeakPolarHBondContact CA-OD1 3.24Å; R312-D319 VanDerWaalsContact CD-OD1 3.29Å; R312-D319 WeakPolarHBondContact CD-OD1 3.47Å; R312-D319 WeakPolarHBondContact CD-OD2 3.48Å; R312-D319 IonicContact CZ-OD2 3.65Å; R312-D319 IonicContact NE-OD2 3.43Å; R312-D319 IonicContact NH1-OD2 2.65Å; R312-D319 PolarHBondContact NH1-OD2 3.41Å |
| 313 | G | 85.9 | Confident | 90.9 | Very high | 19 Ų | 19 | 54.4 Ų | 54.4 | 20% | 0.196 | 28% | 0.282 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 138.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | R317 D319 | G313-R317 WeakPolarHBondContact CA-O 3.43Å; G313-D319 PolarHBondContact N-OD1 3.16Å; G313-D319 VanDerWaalsContact N-OD1 3.11Å |
| 314 | A | 82.9 | Confident | 91 | Very high | 42 Ų | 42 | 55.6 Ų | 55.6 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -76 | 131.6 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | G254 L316 R317 | G254-A314 VanDerWaalsContact O-CB 3.26Å; G254-A314 WeakPolarHBondContact O-CB 3.25Å; A314-L316 PolarHBondContact O-N 3.28Å; A314-R317 WeakPolarHBondContact O-CB 3.14Å; A314-R317 VanDerWaalsContact O-CG 3.31Å; A314-R317 WeakPolarHBondContact O-CG 3.45Å; A314-R317 PolarHBondContact O-N 2.69Å |
| 315 | G | 80.7 | Confident | 91.1 | Very high | 80 Ų | 80 | 54.5 Ų | 54.5 | 83% | 0.825 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | -123.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R317 | G315-R317 VanDerWaalsContact C-N 3.29Å; G315-R317 PolarHBondContact O-N 2.75Å |
| 316 | L | 79.9 | Confident | 91.1 | Very high | 186 Ų | 186 | 58.7 Ų | 58.7 | 97% | 0.974 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | 2.2 | 179.7 | -111.5 | 77.5 | 0 | 0 | 0 | 114.3 | A314 | A314-L316 PolarHBondContact O-N 3.28Š|
| 317 | R | 84.6 | Confident | 91.1 | Very high | 141 Ų | 141 | 58 Ų | 58 | 53% | 0.532 | 30% | 0.303 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 142.4 | -178.4 | -65.2 | -179.1 | 76.1 | -159.9 | 8.1 | 109.9 | S253 G313 A314 G315 | S253-R317 PolarHBondContact OG-NH1 3.11Å; G313-R317 WeakPolarHBondContact CA-O 3.43Å; A314-R317 WeakPolarHBondContact O-CB 3.14Å; A314-R317 VanDerWaalsContact O-CG 3.31Å; A314-R317 WeakPolarHBondContact O-CG 3.45Å; A314-R317 PolarHBondContact O-N 2.69Å; G315-R317 VanDerWaalsContact C-N 3.29Å; G315-R317 PolarHBondContact O-N 2.75Å |
| 318 | R | 88.6 | Confident | 91.1 | Very high | 231 Ų | 231 | 60.8 Ų | 60.8 | 87% | 0.872 | 32% | 0.32 | S | S | * | . | P | Polyproline II helix | trans | -71.7 | 148.7 | 174.6 | -65 | -178.6 | 179.6 | 166.9 | -0.1 | 110.5 | ||
| 319 | D | 90.4 | Very high | 91 | Very high | 69 Ų | 69 | 58.8 Ų | 58.8 | 37% | 0.369 | 31% | 0.312 | S | S | . | . | P | Polyproline II helix | trans | -66 | 139.6 | 171.3 | -62.3 | -17.8 | 0 | 0 | 0 | 110.8 | D311 R312 G313 | D311-D319 CarbonylContact O-C 3.57Å; D311-D319 WeakPolarHBondContact O-CA 3.44Å; R312-D319 WeakPolarHBondContact CA-OD1 3.24Å; R312-D319 VanDerWaalsContact CD-OD1 3.29Å; R312-D319 WeakPolarHBondContact CD-OD1 3.47Å; R312-D319 WeakPolarHBondContact CD-OD2 3.48Å; R312-D319 IonicContact CZ-OD2 3.65Å; R312-D319 IonicContact NE-OD2 3.43Å; R312-D319 IonicContact NH1-OD2 2.65Å; R312-D319 PolarHBondContact NH1-OD2 3.41Å; G313-D319 PolarHBondContact N-OD1 3.16Å; G313-D319 VanDerWaalsContact N-OD1 3.11Å |
| 320 | V | 90.8 | Very high | 90.8 | Very high | 60 Ų | 60 | 62.5 Ų | 62.5 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 124.3 | 179.8 | 179.7 | 0 | 0 | 0 | 0 | 109.1 | L310 D311 L322 | L310-V320 WeakPolarHBondContact CA-O 3.13Å; D311-V320 HydrophobicContact CB-CB 4.32Å; D311-V320 PolarHBondContact N-O 2.93Å; D311-V320 PolarHBondContact O-N 3Å; V320-L322 PolarHBondContact O-N 3.29Å |
| 321 | L | 92.8 | Very high | 90.8 | Very high | 58 Ų | 58 | 63 Ų | 63 | 30% | 0.304 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 115.9 | 172.2 | -176.8 | 67.5 | 0 | 0 | 0 | 109.8 | R217 K308 L310 G323 E324 | R217-L321 PolarHBondContact NH1-O 2.98Å; K308-L321 HydrophobicContact CB-CD1 4.04Å; K308-L321 HydrophobicContact CD-CD1 4.39Å; K308-L321 HydrophobicContact CG-CD1 4.35Å; L310-L321 HydrophobicContact CD2-CB 4.28Å; L310-L321 HydrophobicContact CD2-CD1 3.69Å; L321-G323 WeakPolarHBondContact CD1-O 3.32Å; L321-E324 HydrophobicContact CD1-CB 4.46Å; L321-E324 HydrophobicContact CD2-CG 4.47Å |
| 322 | L | 92.1 | Very high | 90.9 | Very high | 5 Ų | 5 | 62.3 Ų | 62.3 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | -38.8 | 174.1 | -61.8 | -175.8 | 0 | 0 | 0 | 111 | R217 L244 P245 P247 V309 D311 V320 | R217-L322 WeakPolarHBondContact CB-O 3.4Å; L244-L322 HydrophobicContact CD1-CD1 4.06Å; P245-L322 HydrophobicContact CG-CB 4.44Å; P245-L322 HydrophobicContact CG-CD2 4.46Å; P247-L322 HydrophobicContact CG-CD2 4.39Å; V309-L322 HydrophobicContact CB-CB 4.33Å; V309-L322 HydrophobicContact CG1-CB 4.2Å; V309-L322 HydrophobicContact CG1-CD1 4.21Å; V309-L322 PolarHBondContact O-N 3.06Å; D311-L322 HydrophobicContact CB-CD1 4.01Å; D311-L322 HydrophobicContact CB-CD2 3.88Å; D311-L322 HydrophobicContact CB-CG 3.92Å; V320-L322 PolarHBondContact O-N 3.29Å |
| 323 | G | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.7 | 161 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | G215 V309 L321 | G215-G323 CarbonylContact O-C 3.54Å; G215-G323 WeakPolarHBondContact O-CA 3.29Å; V309-G323 PolarHBondContact N-O 3.25Å; V309-G323 PolarHBondContact O-N 3.48Å; L321-G323 WeakPolarHBondContact CD1-O 3.32Å |
| 324 | E | 96.3 | Very high | 90.9 | Very high | 61 Ų | 61 | 60.2 Ų | 60.2 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 152.9 | 173.9 | 62.8 | 176.1 | -164.6 | 0 | 0 | 111.3 | G215 R306 A307 K308 L321 | G215-E324 PolarHBondContact N-O 3.27Å; G215-E324 PolarHBondContact O-N 3.25Å; R306-E324 IonicContact CZ-OE2 3.47Å; R306-E324 IonicContact NE-OE2 2.75Å; R306-E324 IonicContact NH2-OE1 2.88Å; R306-E324 IonicContact NH2-OE2 3.34Å; R306-E324 PolarHBondContact NH2-OE2 3.1Å; A307-E324 VanDerWaalsContact O-CA 3.24Å; A307-E324 WeakPolarHBondContact O-CA 3.31Å; A307-E324 WeakPolarHBondContact O-CB 3.42Å; K308-E324 WeakPolarHBondContact CE-OE2 3.39Å; K308-E324 HydrophobicContact CG-CB 4.08Å; K308-E324 IonicContact NZ-OE2 2.9Å; L321-E324 HydrophobicContact CD1-CB 4.46Å; L321-E324 HydrophobicContact CD2-CG 4.47Å |
| 325 | C | 96.4 | Very high | 90.6 | Very high | 13 Ų | 13 | 63.8 Ų | 63.8 | 9% | 0.088 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 153.8 | 169.9 | 65.3 | 0 | 0 | 0 | 0 | 110.2 | L212 R213 L214 R306 A307 | L212-C325 HydrophobicContact CB-CB 4.34Å; R213-C325 WeakPolarHBondContact O-CB 3.4Å; L214-C325 HydrophobicContact CD2-CB 4.08Å; R306-C325 WeakPolarHBondContact CA-O 3.34Å; A307-C325 PolarHBondContact N-O 3.3Å; A307-C325 PolarHBondContact O-N 3Å |
| 326 | E | 96.6 | Very high | 89.8 | Confident | 89 Ų | 89 | 65.9 Ų | 65.9 | 42% | 0.416 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 130.7 | 173 | -168.4 | 158.4 | 172.5 | 0 | 0 | 108.5 | R265 T304 L305 R306 | R265-E326 VanDerWaalsContact CD-OE1 3.32Å; R265-E326 WeakPolarHBondContact CD-OE1 3.1Å; R265-E326 IonicContact CZ-OE2 2.83Å; R265-E326 IonicContact NH1-OE1 2.84Å; R265-E326 IonicContact NH1-OE2 3.71Å; R265-E326 PolarHBondContact NH1-OE2 3.07Å; T304-E326 PolarHBondContact OG1-OE1 3.45Å; L305-E326 CarbonylContact O-C 3.59Å; L305-E326 VanDerWaalsContact O-CA 3.3Å; L305-E326 WeakPolarHBondContact O-CA 3.24Å; R306-E326 HydrophobicContact CB-CG 4.44Å |
| 327 | T | 96.4 | Very high | 88.5 | Confident | 22 Ų | 22 | 61.1 Ų | 61.1 | 14% | 0.135 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 132.6 | -173.7 | -55.2 | 0 | 0 | 0 | 0 | 109.7 | L212 T304 L305 A331 L332 | L212-T327 HydrophobicContact CD2-CG2 3.98Å; T304-T327 CarbonylContact C-O 3.42Å; T304-T327 WeakPolarHBondContact CA-O 3.26Å; L305-T327 PolarHBondContact N-O 3.47Å; L305-T327 PolarHBondContact O-N 3.2Å; T327-A331 HydrophobicContact CG2-CB 4.18Å; T327-L332 HydrophobicContact CG2-CD2 3.75Å; T327-L332 HydrophobicContact CG2-CG 4.01Å |
| 328 | P | 95.7 | Very high | 86.9 | Confident | 57 Ų | 57 | 58.2 Ų | 58.2 | 37% | 0.37 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65 | 142.2 | 178.3 | 28.5 | -34.6 | 0 | 0 | 0 | 110.8 | T304 I330 A331 | T304-P328 HydrophobicContact CG2-CB 4.35Å; P328-I330 HydrophobicContact CB-CG2 4.23Å; P328-I330 PolarHBondContact O-N 2.94Å; P328-A331 HydrophobicContact CG-CB 3.82Å; P328-A331 PolarHBondContact O-N 2.98Å |
| 329 | L | 94.1 | Very high | 84.6 | Confident | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -60.5 | -35 | -176.3 | -69.8 | -175.9 | 0 | 0 | 0 | 112.1 | L234 L264 L295 L300 R303 L305 A331 L332 L333 | L234-L329 HydrophobicContact CD2-CD1 4.25Å; L234-L329 HydrophobicContact CD2-CD2 3.72Å; L264-L329 HydrophobicContact CD1-CD1 4.44Å; L264-L329 HydrophobicContact CD2-CD1 4.06Å; L264-L329 HydrophobicContact CD2-CD2 3.82Å; L264-L329 HydrophobicContact CD2-CG 4.3Å; L295-L329 HydrophobicContact CD1-CD1 4.3Å; L300-L329 HydrophobicContact CD2-CB 4.28Å; L300-L329 HydrophobicContact CD2-CD1 4.05Å; L300-L329 WeakPolarHBondContact O-CB 3.47Å; R303-L329 HydrophobicContact CB-CD1 3.89Å; R303-L329 HydrophobicContact CB-CG 4.39Å; R303-L329 WeakPolarHBondContact O-CG 3.48Å; R303-L329 PolarHBondContact O-N 3.05Å; L305-L329 HydrophobicContact CB-CD2 3.95Å; L329-A331 PolarHBondContact O-N 3.19Å; L329-L332 HydrophobicContact CD2-CD1 4.22Å; L329-L332 WeakPolarHBondContact O-CB 3.28Å; L329-L332 PolarHBondContact O-N 3.28Å; L329-L333 PolarHBondContact O-N 3.31Å |
| 330 | I | 92.5 | Very high | 82.5 | Confident | 79 Ų | 79 | 55.7 Ų | 55.7 | 41% | 0.405 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.6 | -31.3 | 176.1 | -161.1 | 64.2 | 0 | 0 | 0 | 113.3 | L300 P328 L332 L333 L336 | L300-I330 PolarHBondContact O-N 3.01Å; P328-I330 HydrophobicContact CB-CG2 4.23Å; P328-I330 PolarHBondContact O-N 2.94Å; I330-L332 VanDerWaalsContact C-N 3.3Å; I330-L333 PolarHBondContact O-N 3.24Å; I330-L336 HydrophobicContact CD1-CD1 3.88Å |
| 331 | A | 93.1 | Very high | 80 | Confident | 37 Ų | 37 | 55.8 Ų | 55.8 | 31% | 0.306 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -80.7 | -12.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R208 T327 P328 L329 | R208-A331 PolarHBondContact NE-O 3.09Å; R208-A331 PolarHBondContact NH1-O 2.54Å; R208-A331 PolarHBondContact NH2-O 2.9Å; R208-A331 VanDerWaalsContact NH2-O 3.14Å; T327-A331 HydrophobicContact CG2-CB 4.18Å; P328-A331 HydrophobicContact CG-CB 3.82Å; P328-A331 PolarHBondContact O-N 2.98Å; L329-A331 PolarHBondContact O-N 3.19Å |
| 332 | L | 93.8 | Very high | 77.8 | Confident | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.005 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -92.4 | -10.8 | 174.2 | -59.9 | 177.4 | 0 | 0 | 0 | 111.9 | R208 L212 T225 L305 T327 L329 I330 | R208-L332 WeakPolarHBondContact CB-O 3.3Å; R208-L332 WeakPolarHBondContact CD-O 3.2Å; L212-L332 HydrophobicContact CD1-CD2 4.17Å; L212-L332 HydrophobicContact CD2-CD2 3.81Å; L212-L332 HydrophobicContact CG-CD2 4.44Å; T225-L332 WeakPolarHBondContact CB-O 3.45Å; T225-L332 HydrophobicContact CG2-CB 4.14Å; T225-L332 PolarHBondContact OG1-O 3.48Å; L305-L332 HydrophobicContact CB-CD1 3.91Å; L305-L332 HydrophobicContact CD2-CD1 3.57Å; L305-L332 HydrophobicContact CG-CD1 4.41Å; T327-L332 HydrophobicContact CG2-CD2 3.75Å; T327-L332 HydrophobicContact CG2-CG 4.01Å; L329-L332 HydrophobicContact CD2-CD1 4.22Å; L329-L332 WeakPolarHBondContact O-CB 3.28Å; L329-L332 PolarHBondContact O-N 3.28Å; I330-L332 VanDerWaalsContact C-N 3.3Å |
| 333 | L | 91.4 | Very high | 75.6 | Confident | 4 Ų | 4 | 62.6 Ų | 62.6 | 2% | 0.021 | 44% | 0.439 | C | S | . | . | S | Bend | trans | -100.2 | 151.8 | -178.8 | -65.8 | 176.1 | 0 | 0 | 0 | 111.5 | R208 Y227 L234 L300 L329 I330 | R208-L333 WeakPolarHBondContact CD-O 3.41Å; R208-L333 PolarHBondContact NH1-O 2.94Å; Y227-L333 HydrophobicContact CG-CD1 4.29Å; L234-L333 HydrophobicContact CD1-CD2 3.72Å; L300-L333 HydrophobicContact CD1-CD1 3.65Å; L300-L333 HydrophobicContact CD2-CD1 3.91Å; L300-L333 HydrophobicContact CG-CD1 4.26Å; L329-L333 PolarHBondContact O-N 3.31Å; I330-L333 PolarHBondContact O-N 3.24Å |
| 334 | P | 86.3 | Confident | 73.3 | Confident | 29 Ų | 29 | 67.5 Ų | 67.5 | 19% | 0.188 | 47% | 0.472 | C | S | . | . | trans | -50.2 | 147.1 | 169.5 | -21.2 | 29.5 | 0 | 0 | 0 | 110.2 | P206 R208 L336 | P206-P334 HydrophobicContact CB-CB 4.02Å; P206-P334 HydrophobicContact CB-CG 3.67Å; P206-P334 HydrophobicContact CG-CG 4.2Å; P206-P334 VanDerWaalsContact O-CG 3.28Å; P206-P334 WeakPolarHBondContact O-CG 3.35Å; R208-P334 HydrophobicContact CB-CG 3.92Å; P334-L336 PolarHBondContact O-N 3.3Å | ||
| 335 | P | 75.4 | Confident | 70.5 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 76% | 0.76 | 50% | 0.503 | S | S | * | . | trans | -55.8 | 115.1 | 175.5 | 23.8 | -31.7 | 0 | 0 | 0 | 108.5 | G337 | P335-G337 VanDerWaalsContact C-N 3.34Å; P335-G337 PolarHBondContact O-N 2.91Å | ||
| 336 | L | 64.5 | Low | 68.1 | Low | 124 Ų | 124 | 77.3 Ų | 77.3 | 65% | 0.649 | 54% | 0.536 | S | S | * | . | trans | -64.8 | 100.2 | 173.2 | -71.3 | 162.5 | 0 | 0 | 0 | 105.6 | I330 P334 G338 | I330-L336 HydrophobicContact CD1-CD1 3.88Å; P334-L336 PolarHBondContact O-N 3.3Å; L336-G338 PolarHBondContact O-N 2.88Å | ||
| 337 | G | 51.8 | Low | 65.6 | Low | 87 Ų | 87 | 77 Ų | 77 | 90% | 0.897 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -52.2 | 108.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | P335 | P335-G337 VanDerWaalsContact C-N 3.34Å; P335-G337 PolarHBondContact O-N 2.91Å |
| 338 | G | 50.6 | Low | 63.2 | Low | 80 Ų | 80 | 81.8 Ų | 81.8 | 83% | 0.825 | 58% | 0.58 | S | S | * | * | trans | 175.9 | 89.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L336 | L336-G338 PolarHBondContact O-N 2.88Š| ||
| 339 | G | 41.3 | Very low | 60.9 | Low | 71 Ų | 71 | 85.1 Ų | 85.1 | 73% | 0.732 | 60% | 0.599 | S | S | * | * | S | Bend | trans | 120 | 101.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 340 | L | 46.5 | Very low | 58.7 | Low | 176 Ų | 176 | 94.2 Ų | 94.2 | 92% | 0.921 | 64% | 0.641 | S | S | * | * | trans | 56.8 | 106.2 | 142.3 | -58.1 | 166.9 | 0 | 0 | 0 | 116.7 | ||||
| 341 | G | 37.6 | Very low | 56.8 | Low | 62 Ų | 62 | 98.2 Ų | 98.2 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | trans | -54.4 | 159.5 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | G343 | G341-G343 PolarHBondContact O-N 3.45Š| ||
| 342 | P | 47.8 | Very low | 54.7 | Low | 146 Ų | 146 | 101.6 Ų | 101.6 | 95% | 0.948 | 68% | 0.684 | S | S | * | * | trans | -68.2 | 84 | 177.1 | 28.3 | -32.7 | 0 | 0 | 0 | 109.8 | ||||
| 343 | G | 45.8 | Very low | 52.5 | Low | 60 Ų | 60 | 113.3 Ų | 113.3 | 62% | 0.619 | 75% | 0.745 | S | S | * | * | trans | -89.6 | 128.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | G341 | G341-G343 PolarHBondContact O-N 3.45Š| ||
| 344 | S | 45.5 | Very low | 50.6 | Low | 102 Ų | 102 | 118.8 Ų | 118.8 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | 57.5 | 84.6 | 164 | 60.9 | 0 | 0 | 0 | 0 | 117.2 | L346 | S344-L346 VanDerWaalsContact C-N 3.28Å; S344-L346 PolarHBondContact O-N 3.33Å; S344-L346 VanDerWaalsContact O-N 3.1Å | ||
| 345 | S | 38.3 | Very low | 48.7 | Very low | 131 Ų | 131 | 123.5 Ų | 123.5 | 92% | 0.916 | 81% | 0.813 | S | S | * | * | trans | -68 | 97.9 | 142.1 | 179.4 | 0 | 0 | 0 | 0 | 106.8 | A347 | S345-A347 PolarHBondContact O-N 3.3Š| ||
| 346 | L | 44.3 | Very low | 47.2 | Very low | 150 Ų | 150 | 123.8 Ų | 123.8 | 79% | 0.785 | 82% | 0.816 | S | S | * | * | trans | -59.4 | 124.4 | 165.2 | -81.7 | 153.7 | 0 | 0 | 0 | 108 | S344 | S344-L346 VanDerWaalsContact C-N 3.28Å; S344-L346 PolarHBondContact O-N 3.33Å; S344-L346 VanDerWaalsContact O-N 3.1Å | ||
| 347 | A | 44.2 | Very low | 46.2 | Very low | 83 Ų | 83 | 123.8 Ų | 123.8 | 69% | 0.686 | 83% | 0.826 | S | S | * | * | trans | -55.8 | 141.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S345 T349 | S345-A347 PolarHBondContact O-N 3.3Å; A347-T349 PolarHBondContact O-N 3.38Å; A347-T349 VanDerWaalsContact O-N 3.16Å | ||
| 348 | P | 46.3 | Very low | 45.9 | Very low | 121 Ų | 121 | 126.1 Ų | 126.1 | 79% | 0.786 | 82% | 0.821 | S | S | * | * | trans | -71 | 112.4 | 171.9 | 27.8 | -29 | 0 | 0 | 0 | 108.5 | H350 | P348-H350 PolarHBondContact O-N 3.05Š| ||
| 349 | T | 47.9 | Very low | 45.6 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 82% | 0.821 | S | S | * | * | trans | -60.7 | 117.4 | 162.6 | 38.6 | 0 | 0 | 0 | 0 | 108.3 | A347 L351 | A347-T349 PolarHBondContact O-N 3.38Å; A347-T349 VanDerWaalsContact O-N 3.16Å; T349-L351 PolarHBondContact O-N 3.48Å | ||
| 350 | H | 47.6 | Very low | 45.9 | Very low | 190 Ų | 190 | 133.4 Ų | 133.4 | 88% | 0.88 | 83% | 0.827 | S | S | * | * | trans | -50.3 | 120.4 | 160.9 | -90.7 | -105.5 | 0 | 0 | 0 | 109.1 | P348 | P348-H350 PolarHBondContact O-N 3.05Š| ||
| 351 | L | 52.2 | Low | 45.8 | Very low | 163 Ų | 163 | 130.1 Ų | 130.1 | 85% | 0.853 | 82% | 0.82 | S | S | * | * | trans | -116.1 | 125 | 158.8 | -101 | 163.8 | 0 | 0 | 0 | 107.5 | T349 | T349-L351 PolarHBondContact O-N 3.48Š| ||
| 352 | S | 50.7 | Low | 46.5 | Very low | 108 Ų | 108 | 135.8 Ų | 135.8 | 76% | 0.755 | 84% | 0.835 | S | S | * | * | trans | -66.1 | 155.1 | -172.1 | -29.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 353 | L | 47.7 | Very low | 46.4 | Very low | 247 Ų | 247 | 134.8 Ų | 134.8 | 100% | 1.293 | 83% | 0.825 | S | S | * | * | -142.1 | 0 | 129.3 | -98.9 | 167.9 | 0 | 0 | 0 | 108.5 |
Retrieved 353 of 353 residues in 126.8 ms
(Link to these results)