| 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 | Very low | 43.6 | Very low | 250 Ų | 250 | 151.3 Ų | 151.3 | 100% | 1.232 | 81% | 0.81 | S | S | * | * | 0 | 114.2 | 0 | -93.2 | 171.2 | 171.1 | 0 | 0 | 106.7 | |||||
| 2 | A | 43.8 | Very low | 44.1 | Very low | 91 Ų | 91 | 144.1 Ų | 144.1 | 75% | 0.752 | 80% | 0.798 | S | S | * | * | cis | -161.4 | 129.4 | -1.6 | 0 | 0 | 0 | 0 | 0 | 103.3 | ||||
| 3 | E | 43.7 | Very low | 44.1 | Very low | 174 Ų | 174 | 140.8 Ų | 140.8 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | 53.1 | 108.6 | 80.4 | -65.4 | -157.4 | 145.6 | 0 | 0 | 115.1 | |||||
| 4 | D | 42.3 | Very low | 44.2 | Very low | 120 Ų | 120 | 148.3 Ų | 148.3 | 64% | 0.642 | 80% | 0.801 | S | S | * | * | 80.9 | 118.5 | 128.6 | -58.5 | -29.5 | 0 | 0 | 0 | 123.8 | |||||
| 5 | F | 51.1 | Low | 44.3 | Very low | 176 Ų | 176 | 149.7 Ų | 149.7 | 77% | 0.772 | 80% | 0.8 | S | S | * | * | 44.2 | 116.9 | 128.7 | -86 | -94 | 0 | 0 | 0 | 121.3 | |||||
| 6 | Y | 41.7 | Very low | 44.7 | Very low | 227 Ų | 227 | 154.3 Ų | 154.3 | 89% | 0.89 | 80% | 0.803 | S | S | * | * | trans | -135.4 | 108.3 | 134.7 | -64.7 | -78.9 | 0 | 0 | 0 | 107.4 | ||||
| 7 | T | 43.2 | Very low | 45 | Very low | 104 Ų | 104 | 149.5 Ų | 149.5 | 64% | 0.638 | 79% | 0.791 | S | S | * | * | 72.6 | 96.7 | 79 | -42.7 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 8 | L | 49.1 | Very low | 45.4 | Very low | 167 Ų | 167 | 148.3 Ų | 148.3 | 87% | 0.874 | 79% | 0.793 | S | S | * | * | 56 | 119.1 | 120.7 | -130.1 | 157.1 | 0 | 0 | 0 | 118.8 | |||||
| 9 | G | 35.7 | Very low | 45.8 | Very low | 64 Ų | 64 | 150.4 Ų | 150.4 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | 163 | 82.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 10 | T | 46.7 | Very low | 45.9 | Very low | 122 Ų | 122 | 147.5 Ų | 147.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | 42.1 | 113.3 | 129.5 | -38 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 11 | L | 42.9 | Very low | 46.3 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 89% | 0.885 | 77% | 0.773 | S | S | * | * | -166.7 | 139.6 | 108.4 | -127.7 | 98.5 | 0 | 0 | 0 | 111 | |||||
| 12 | G | 49.6 | Very low | 47 | Very low | 65 Ų | 65 | 142.6 Ų | 142.6 | 67% | 0.67 | 75% | 0.751 | S | S | * | * | trans | -60.6 | 152.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 13 | S | 45.1 | Very low | 47.6 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | -153.1 | 84 | 146.6 | -78.5 | 0 | 0 | 0 | 0 | 106.9 | Q15 | S13-Q15 PolarHBondContact O-N 2.79Š| ||
| 14 | R | 45.5 | Very low | 47.6 | Very low | 245 Ų | 245 | 146.7 Ų | 146.7 | 93% | 0.925 | 75% | 0.746 | S | S | * | * | trans | -56.2 | 94.8 | 153.1 | -83.9 | -179.1 | 168.9 | -110.4 | 2.1 | 105.6 | R16 | R14-R16 PolarHBondContact O-N 3.06Š| ||
| 15 | Q | 44.9 | Very low | 47.8 | Very low | 169 Ų | 169 | 145 Ų | 145 | 79% | 0.79 | 74% | 0.743 | S | S | * | * | trans | -61.8 | 96.4 | 162.9 | -72.7 | -70.2 | -42.3 | 0 | 0 | 105 | S13 A17 | S13-Q15 PolarHBondContact O-N 2.79Å; Q15-A17 VanDerWaalsContact C-N 3.3Å; Q15-A17 PolarHBondContact O-N 3.17Å | ||
| 16 | R | 50.4 | Low | 47.6 | Very low | 224 Ų | 224 | 141.9 Ų | 141.9 | 85% | 0.845 | 74% | 0.741 | S | S | * | * | trans | -55.4 | 106 | 163.1 | -76 | -178.8 | 174.5 | 125 | -3.8 | 104.2 | R14 | R14-R16 PolarHBondContact O-N 3.06Š| ||
| 17 | A | 50.9 | Low | 48.1 | Very low | 73 Ų | 73 | 136.2 Ų | 136.2 | 60% | 0.603 | 73% | 0.734 | S | S | * | * | trans | -43.2 | 139.2 | 159.2 | 0 | 0 | 0 | 0 | 0 | 107.3 | Q15 R19 | Q15-A17 VanDerWaalsContact C-N 3.3Å; Q15-A17 PolarHBondContact O-N 3.17Å; A17-R19 PolarHBondContact O-N 3.31Å | ||
| 18 | P | 51.1 | Low | 48.3 | Very low | 127 Ų | 127 | 136.6 Ų | 136.6 | 83% | 0.825 | 73% | 0.732 | S | S | * | * | trans | -54.1 | 109.9 | 176.1 | 23 | -30.9 | 0 | 0 | 0 | 106.4 | D20 | P18-D20 PolarHBondContact O-N 2.85Š| ||
| 19 | R | 52.8 | Low | 48.1 | Very low | 189 Ų | 189 | 133.9 Ų | 133.9 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | -61.3 | 113.9 | 171.6 | -84.1 | -164.8 | -179.8 | -174.8 | 2.9 | 104.3 | A17 P21 E24 | A17-R19 PolarHBondContact O-N 3.31Å; R19-P21 WeakPolarHBondContact O-CD 3.44Å; R19-P21 VanDerWaalsContact O-N 3.12Å; R19-E24 IonicContact CZ-OE2 3.5Å; R19-E24 IonicContact NE-OE2 3.98Å; R19-E24 IonicContact NH1-OE1 3.88Å; R19-E24 IonicContact NH1-OE2 2.7Å; R19-E24 PolarHBondContact NH1-OE2 3.33Å | ||
| 20 | D | 49.3 | Very low | 48.8 | Very low | 91 Ų | 91 | 135.8 Ų | 135.8 | 49% | 0.487 | 74% | 0.737 | S | S | . | * | trans | -50.7 | 115.9 | 165.7 | -177.6 | -13.8 | 0 | 0 | 0 | 107.5 | P18 F22 R23 | P18-D20 PolarHBondContact O-N 2.85Å; D20-F22 PolarHBondContact O-N 2.82Å; D20-F22 WeakPolarHBondContact OD1-CB 3.32Å; D20-F22 PolarHBondContact OD1-N 3.34Å; D20-R23 HydrophobicContact CB-CB 4.18Å; D20-R23 PolarHBondContact O-N 2.87Å; D20-R23 VanDerWaalsContact O-N 3.15Å | ||
| 21 | P | 53.8 | Low | 49.2 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 75% | 0.747 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | -6.9 | -177.6 | 27.2 | -32.8 | 0 | 0 | 0 | 112.4 | R19 | R19-P21 WeakPolarHBondContact O-CD 3.44Å; R19-P21 VanDerWaalsContact O-N 3.12Å |
| 22 | F | 54 | Low | 49.4 | Very low | 180 Ų | 180 | 139.9 Ų | 139.9 | 79% | 0.789 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.6 | -2.6 | 177.3 | -67.2 | -79.1 | 0 | 0 | 0 | 114.6 | D20 | D20-F22 PolarHBondContact O-N 2.82Å; D20-F22 WeakPolarHBondContact OD1-CB 3.32Å; D20-F22 PolarHBondContact OD1-N 3.34Å |
| 23 | R | 54.9 | Low | 49.4 | Very low | 215 Ų | 215 | 144.4 Ų | 144.4 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -96.6 | -0.2 | -172.1 | -160.4 | 163 | -176 | 179.9 | 2.6 | 116.2 | D20 | D20-R23 HydrophobicContact CB-CB 4.18Å; D20-R23 PolarHBondContact O-N 2.87Å; D20-R23 VanDerWaalsContact O-N 3.15Å |
| 24 | E | 45.5 | Very low | 49.2 | Very low | 136 Ų | 136 | 144.9 Ų | 144.9 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -129.8 | 83.6 | 174.4 | -64.7 | -172.9 | 132.8 | 0 | 0 | 111.4 | R19 | R19-E24 IonicContact CZ-OE2 3.5Å; R19-E24 IonicContact NE-OE2 3.98Å; R19-E24 IonicContact NH1-OE1 3.88Å; R19-E24 IonicContact NH1-OE2 2.7Å; R19-E24 PolarHBondContact NH1-OE2 3.33Å | ||
| 25 | S | 46.7 | Very low | 49.6 | Very low | 84 Ų | 84 | 140 Ų | 140 | 59% | 0.587 | 73% | 0.725 | S | S | * | * | trans | -124.6 | 96.6 | 148.5 | 46 | 0 | 0 | 0 | 0 | 108.7 | S27 | S25-S27 PolarHBondContact O-N 2.98Š| ||
| 26 | P | 45.6 | Very low | 49.8 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 72% | 0.724 | S | S | * | * | trans | -65.4 | 129.2 | 160 | -2.3 | 19.2 | 0 | 0 | 0 | 107 | ||||
| 27 | S | 52.9 | Low | 49.6 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 76% | 0.755 | 72% | 0.72 | S | S | * | * | trans | 58 | 66.3 | 163.5 | 61.1 | 0 | 0 | 0 | 0 | 117.6 | S25 | S25-S27 PolarHBondContact O-N 2.98Š| ||
| 28 | L | 46.3 | Very low | 49.5 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 59% | 0.592 | 73% | 0.727 | S | S | * | * | trans | -116.4 | 30.1 | 157 | -70.6 | -179.6 | 0 | 0 | 0 | 113.2 | S30 R31 | L28-S30 PolarHBondContact O-N 3.21Å; L28-R31 HydrophobicContact CD2-CG 4.25Å | ||
| 29 | A | 44.7 | Very low | 49.4 | Very low | 109 Ų | 109 | 136.6 Ų | 136.6 | 90% | 0.901 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 29.2 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||
| 30 | S | 51.6 | Low | 49.1 | Very low | 105 Ų | 105 | 132.3 Ų | 132.3 | 73% | 0.734 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153 | 33.6 | -173.7 | -151.8 | 0 | 0 | 0 | 0 | 113.6 | L28 | L28-S30 PolarHBondContact O-N 3.21Š|
| 31 | R | 54.2 | Low | 49.3 | Very low | 178 Ų | 178 | 133.6 Ų | 133.6 | 67% | 0.672 | 73% | 0.731 | S | S | * | * | trans | -139.3 | 23.6 | 165.6 | -65.9 | -165 | -179.9 | -154.5 | -2.8 | 113.1 | L28 | L28-R31 HydrophobicContact CD2-CG 4.25Š| ||
| 32 | F | 47.7 | Very low | 48.8 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.873 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -83.7 | -1.8 | 169.4 | -177.4 | -109.7 | 0 | 0 | 0 | 112.1 | ||
| 33 | M | 50.1 | Low | 48.5 | Very low | 160 Ų | 160 | 132.8 Ų | 132.8 | 79% | 0.788 | 73% | 0.727 | S | S | * | * | trans | -143.9 | 73.8 | 166.7 | -67.4 | 173 | 91 | 0 | 0 | 107.5 | D35 | M33-D35 PolarHBondContact O-N 2.79Š| ||
| 34 | D | 39.9 | Very low | 48.3 | Very low | 111 Ų | 111 | 130.9 Ų | 130.9 | 59% | 0.594 | 73% | 0.727 | S | S | * | * | trans | -79.2 | 90 | 151.6 | -101.9 | -86.5 | 0 | 0 | 0 | 105.5 | D36 | D34-D36 PolarHBondContact O-N 2.89Š| ||
| 35 | D | 55.3 | Low | 48.5 | Very low | 144 Ų | 144 | 131.7 Ų | 131.7 | 77% | 0.77 | 74% | 0.736 | S | S | * | * | trans | -74.9 | 62.6 | 172.5 | -156.9 | -95.3 | 0 | 0 | 0 | 108.5 | M33 | M33-D35 PolarHBondContact O-N 2.79Š| ||
| 36 | D | 47.6 | Very low | 48.7 | Very low | 144 Ų | 144 | 136 Ų | 136 | 77% | 0.77 | 75% | 0.749 | S | S | * | * | trans | -162.4 | 35.4 | 171.5 | -133.6 | -56.2 | 0 | 0 | 0 | 113 | D34 G38 | D34-D36 PolarHBondContact O-N 2.89Å; D36-G38 PolarHBondContact O-N 3.31Å | ||
| 37 | F | 46.4 | Very low | 49 | Very low | 173 Ų | 173 | 134.6 Ų | 134.6 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | trans | -87.1 | 93.2 | 155.3 | -150.1 | -92.4 | 0 | 0 | 0 | 106 | M39 | F37-M39 HydrophobicContact CD1-CE 3.68Å; F37-M39 HydrophobicContact CD1-CG 3.93Å; F37-M39 HydrophobicContact CE1-CE 3.97Å; F37-M39 PolarHBondContact O-N 2.88Å | ||
| 38 | G | 50 | Low | 48.7 | Very low | 73 Ų | 73 | 136.9 Ų | 136.9 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | -58.3 | 67 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D36 S40 | D36-G38 PolarHBondContact O-N 3.31Å; G38-S40 PolarHBondContact O-N 3.03Å | ||
| 39 | M | 48.1 | Very low | 48.9 | Very low | 131 Ų | 131 | 139 Ų | 139 | 65% | 0.645 | 75% | 0.754 | S | S | * | * | trans | -73.7 | 111.5 | 154.5 | -58.9 | -166.7 | -176.8 | 0 | 0 | 104.5 | F37 | F37-M39 HydrophobicContact CD1-CE 3.68Å; F37-M39 HydrophobicContact CD1-CG 3.93Å; F37-M39 HydrophobicContact CE1-CE 3.97Å; F37-M39 PolarHBondContact O-N 2.88Å | ||
| 40 | S | 47.2 | Very low | 49.4 | Very low | 99 Ų | 99 | 138.2 Ų | 138.2 | 69% | 0.692 | 73% | 0.728 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 141.3 | 166.4 | -54.8 | 0 | 0 | 0 | 0 | 108.5 | G38 F42 | G38-S40 PolarHBondContact O-N 3.03Å; S40-F42 PolarHBondContact O-N 2.77Å |
| 41 | P | 52.8 | Low | 49.8 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 77% | 0.766 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -49.3 | 126.9 | 171.7 | 22.7 | -32.3 | 0 | 0 | 0 | 106.7 | ||
| 42 | F | 44 | Very low | 49.9 | Very low | 171 Ų | 171 | 132.3 Ų | 132.3 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -46.2 | 129.9 | 177.8 | -78.6 | -90.2 | 0 | 0 | 0 | 107.7 | S40 E44 | S40-F42 PolarHBondContact O-N 2.77Å; F42-E44 PolarHBondContact O-N 2.94Å; F42-E44 VanDerWaalsContact O-N 3.11Å |
| 43 | P | 47.8 | Very low | 50.6 | Low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 126.5 | 174.3 | -21 | 29.4 | 0 | 0 | 0 | 108 | D45 M46 | P43-D45 PolarHBondContact O-N 2.83Å; P43-M46 PolarHBondContact O-N 3.21Å |
| 44 | E | 50.2 | Low | 50.8 | Low | 174 Ų | 174 | 126.7 Ų | 126.7 | 81% | 0.813 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -59.4 | 3.1 | -175.7 | -149.3 | 79.6 | -158.9 | 0 | 0 | 113.8 | F42 S47 | F42-E44 PolarHBondContact O-N 2.94Å; F42-E44 VanDerWaalsContact O-N 3.11Å; E44-S47 PolarHBondContact O-OG 2.91Å |
| 45 | D | 50.1 | Low | 51.8 | Low | 154 Ų | 154 | 129.8 Ų | 129.8 | 82% | 0.824 | 70% | 0.701 | S | S | * | * | G | 310 helix | trans | -98.9 | 9.5 | -173.8 | -154.6 | 39.9 | 0 | 0 | 0 | 114 | P43 | P43-D45 PolarHBondContact O-N 2.83Š|
| 46 | M | 49.2 | Very low | 51.3 | Low | 175 Ų | 175 | 127.3 Ų | 127.3 | 86% | 0.862 | 69% | 0.693 | S | S | * | * | G | 310 helix | trans | -105.6 | 25 | 161.2 | -102.2 | -172.1 | -178.6 | 0 | 0 | 111.9 | P43 M48 | P43-M46 PolarHBondContact O-N 3.21Å; M46-M48 PolarHBondContact O-N 3.14Å |
| 47 | S | 53.5 | Low | 51.2 | Low | 80 Ų | 80 | 126.1 Ų | 126.1 | 56% | 0.559 | 70% | 0.696 | S | S | * | * | trans | -72.1 | 74.9 | 159.7 | 48.6 | 0 | 0 | 0 | 0 | 108.4 | E44 D49 | E44-S47 PolarHBondContact O-OG 2.91Å; S47-D49 PolarHBondContact O-N 2.88Å; S47-D49 VanDerWaalsContact O-N 3.08Å | ||
| 48 | M | 46.6 | Very low | 51.3 | Low | 157 Ų | 157 | 127.9 Ų | 127.9 | 77% | 0.773 | 70% | 0.697 | S | S | * | * | trans | -41.4 | 123 | 155.8 | -83.9 | 163 | 161.8 | 0 | 0 | 106.8 | M46 W50 | M46-M48 PolarHBondContact O-N 3.14Å; M48-W50 PolarHBondContact O-N 2.77Å | ||
| 49 | D | 50.8 | Low | 51.3 | Low | 158 Ų | 158 | 133 Ų | 133 | 85% | 0.845 | 71% | 0.707 | S | S | * | * | trans | -68.1 | 58.3 | 177.7 | -49.4 | -73.7 | 0 | 0 | 0 | 109.6 | S47 P51 | S47-D49 PolarHBondContact O-N 2.88Å; S47-D49 VanDerWaalsContact O-N 3.08Å; D49-P51 WeakPolarHBondContact O-CD 3.49Å | ||
| 50 | W | 54.3 | Low | 50.6 | Low | 91 Ų | 91 | 132.2 Ų | 132.2 | 35% | 0.345 | 71% | 0.714 | S | S | . | * | trans | -61.7 | 128.7 | -174.4 | 64 | -89.7 | 0 | 0 | 0 | 105.8 | M48 G52 A54 R55 | M48-W50 PolarHBondContact O-N 2.77Å; W50-G52 VanDerWaalsContact CZ3-C 3.42Å; W50-G52 VanDerWaalsContact CZ3-CA 3.44Å; W50-A54 HydrophobicContact CD2-CB 4.05Å; W50-A54 HydrophobicContact CE3-CB 3.28Å; W50-A54 HydrophobicContact CZ3-CB 4.1Å; W50-R55 HydrophobicContact CE3-CG 4.49Å; W50-R55 VanDerWaalsContact CE3-N 3.26Å; W50-R55 HydrophobicContact CH2-CB 3.85Å; W50-R55 HydrophobicContact CH2-CG 2.87Å; W50-R55 HydrophobicContact CZ2-CB 4.11Å; W50-R55 HydrophobicContact CZ2-CG 2.92Å; W50-R55 HydrophobicContact CZ3-CB 4.13Å; W50-R55 HydrophobicContact CZ3-CG 3.62Å | ||
| 51 | P | 59.6 | Low | 50.1 | Low | 87 Ų | 87 | 133 Ų | 133 | 57% | 0.565 | 72% | 0.715 | S | S | * | * | trans | -66.2 | 143.2 | -172.6 | -20.4 | 30.7 | 0 | 0 | 0 | 110.9 | D49 W53 A54 | D49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-W53 PolarHBondContact O-N 2.78Å; P51-A54 PolarHBondContact O-N 2.86Å; P51-A54 VanDerWaalsContact O-N 3.14Å | ||
| 52 | G | 56.1 | Low | 49.4 | Very low | 73 Ų | 73 | 139 Ų | 139 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -30.8 | -18.4 | -171.3 | 0 | 0 | 0 | 0 | 0 | 121.3 | W50 | W50-G52 VanDerWaalsContact CZ3-C 3.42Å; W50-G52 VanDerWaalsContact CZ3-CA 3.44Å |
| 53 | W | 63 | Low | 49.3 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 73% | 0.731 | 73% | 0.73 | S | S | * | * | G | 310 helix | trans | -81.4 | -17.1 | 177.1 | 70.9 | -84.5 | 0 | 0 | 0 | 115.7 | P51 | P51-W53 PolarHBondContact O-N 2.78Š|
| 54 | A | 53.5 | Low | 49 | Very low | 47 Ų | 47 | 139.4 Ų | 139.4 | 39% | 0.388 | 73% | 0.734 | S | S | . | * | G | 310 helix | trans | -103.3 | 14.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | W50 P51 P56 | W50-A54 HydrophobicContact CD2-CB 4.05Å; W50-A54 HydrophobicContact CE3-CB 3.28Å; W50-A54 HydrophobicContact CZ3-CB 4.1Å; P51-A54 PolarHBondContact O-N 2.86Å; P51-A54 VanDerWaalsContact O-N 3.14Å; A54-P56 WeakPolarHBondContact O-CD 3.26Å |
| 55 | R | 62 | Low | 48.5 | Very low | 177 Ų | 177 | 135.5 Ų | 135.5 | 67% | 0.668 | 73% | 0.732 | S | S | * | * | trans | -74.3 | 129.4 | 165.7 | -71.4 | -154.3 | 152.4 | 158.7 | -7.5 | 107.6 | W50 S57 | W50-R55 HydrophobicContact CE3-CG 4.49Å; W50-R55 VanDerWaalsContact CE3-N 3.26Å; W50-R55 HydrophobicContact CH2-CB 3.85Å; W50-R55 HydrophobicContact CH2-CG 2.87Å; W50-R55 HydrophobicContact CZ2-CB 4.11Å; W50-R55 HydrophobicContact CZ2-CG 2.92Å; W50-R55 HydrophobicContact CZ3-CB 4.13Å; W50-R55 HydrophobicContact CZ3-CG 3.62Å; R55-S57 PolarHBondContact O-N 2.96Å; R55-S57 VanDerWaalsContact O-N 3.12Å | ||
| 56 | P | 45 | Very low | 48.2 | Very low | 91 Ų | 91 | 132.9 Ų | 132.9 | 59% | 0.591 | 72% | 0.723 | S | S | * | * | trans | -62.9 | 115.6 | 150.6 | 27.1 | -28.2 | 0 | 0 | 0 | 107.1 | A54 R58 | A54-P56 WeakPolarHBondContact O-CD 3.26Å; P56-R58 HydrophobicContact CB-CG 4.42Å; P56-R58 PolarHBondContact O-N 2.9Å | ||
| 57 | S | 45.8 | Very low | 47.8 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 84% | 0.839 | 73% | 0.727 | S | S | * | * | trans | -62.3 | 82.8 | 169.8 | -57.1 | 0 | 0 | 0 | 0 | 109.4 | R55 | R55-S57 PolarHBondContact O-N 2.96Å; R55-S57 VanDerWaalsContact O-N 3.12Å | ||
| 58 | R | 47.8 | Very low | 47.3 | Very low | 209 Ų | 209 | 136.9 Ų | 136.9 | 79% | 0.789 | 74% | 0.737 | S | S | * | * | trans | -88.3 | 122.3 | 167.9 | -66.6 | -70.1 | -168.7 | -117.8 | 0.5 | 107 | P56 S60 | P56-R58 HydrophobicContact CB-CG 4.42Å; P56-R58 PolarHBondContact O-N 2.9Å; R58-S60 PolarHBondContact O-N 3.49Å | ||
| 59 | L | 49.4 | Very low | 46.9 | Very low | 182 Ų | 182 | 132.2 Ų | 132.2 | 95% | 0.953 | 73% | 0.729 | S | S | * | * | trans | -45.5 | 118 | 176.8 | -71.3 | 101.7 | 0 | 0 | 0 | 111.3 | ||||
| 60 | S | 34.8 | Very low | 46.2 | Very low | 113 Ų | 113 | 131.4 Ų | 131.4 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | -116.8 | 135.1 | 162 | -102 | 0 | 0 | 0 | 0 | 106.2 | R58 | R58-S60 PolarHBondContact O-N 3.49Š| ||
| 61 | T | 34.9 | Very low | 46 | Very low | 117 Ų | 117 | 135 Ų | 135 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | cis | -165.8 | 141.8 | -0.4 | -48.7 | 0 | 0 | 0 | 0 | 104.3 | ||||
| 62 | R | 39 | Very low | 45.2 | Very low | 243 Ų | 243 | 142.1 Ų | 142.1 | 92% | 0.917 | 77% | 0.771 | S | S | * | * | trans | 162.8 | 81.5 | 139.9 | -88.2 | 171 | -165.3 | -137.6 | 5.4 | 110 | ||||
| 63 | L | 42.5 | Very low | 44.7 | Very low | 174 Ų | 174 | 145.3 Ų | 145.3 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -127.1 | 94.4 | 148.3 | -87.4 | 158.1 | 0 | 0 | 0 | 106.5 | A65 | L63-A65 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact O-N 3.15Å | ||
| 64 | S | 40.6 | Very low | 43.4 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -62.8 | 104.9 | 157.3 | 165 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 65 | A | 39.3 | Very low | 42.9 | Very low | 92 Ų | 92 | 147.4 Ų | 147.4 | 76% | 0.76 | 80% | 0.802 | S | S | * | * | trans | -86.6 | 129.8 | 161.3 | 0 | 0 | 0 | 0 | 0 | 108.3 | L63 | L63-A65 PolarHBondContact O-N 2.83Å; L63-A65 VanDerWaalsContact O-N 3.15Å | ||
| 66 | P | 43.5 | Very low | 42.3 | Very low | 99 Ų | 99 | 144.6 Ų | 144.6 | 64% | 0.643 | 81% | 0.807 | S | S | * | * | -129.8 | 100.2 | 128.4 | 33.2 | -22.9 | 0 | 0 | 0 | 109.2 | T68 | P66-T68 VanDerWaalsContact C-N 3.33Å; P66-T68 PolarHBondContact O-N 2.77Å | |||
| 67 | F | 42.4 | Very low | 42.8 | Very low | 214 Ų | 214 | 145.6 Ų | 145.6 | 94% | 0.939 | 81% | 0.813 | S | S | * | * | trans | -85.8 | 86.5 | 159.6 | -120.3 | -86.2 | 0 | 0 | 0 | 107.8 | ||||
| 68 | T | 43.2 | Very low | 43.1 | Very low | 125 Ų | 125 | 146.3 Ų | 146.3 | 77% | 0.767 | 81% | 0.813 | S | S | * | * | trans | -86.3 | 113.1 | 157.7 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | P66 | P66-T68 VanDerWaalsContact C-N 3.33Å; P66-T68 PolarHBondContact O-N 2.77Å | ||
| 69 | G | 37.3 | Very low | 42.6 | Very low | 59 Ų | 59 | 148.1 Ų | 148.1 | 61% | 0.608 | 82% | 0.82 | S | S | * | * | trans | 71.5 | 131.9 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 70 | T | 36.7 | Very low | 42.5 | Very low | 141 Ų | 141 | 143.9 Ų | 143.9 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | 99.5 | 112.9 | 137.7 | -41.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 71 | L | 49.4 | Very low | 42.9 | Very low | 166 Ų | 166 | 143.6 Ų | 143.6 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | trans | -57.6 | 124.2 | 163.9 | -64.9 | 158.7 | 0 | 0 | 0 | 111.2 | ||||
| 72 | R | 42.9 | Very low | 43.3 | Very low | 237 Ų | 237 | 144.3 Ų | 144.3 | 89% | 0.894 | 81% | 0.814 | S | S | * | * | trans | -154.6 | 142.3 | 141.2 | -74.2 | -155 | 179.4 | -92.9 | -4.1 | 111.9 | ||||
| 73 | T | 44.9 | Very low | 43.9 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 81% | 0.805 | S | S | * | * | trans | -53 | 146 | 171.8 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 74 | G | 36.6 | Very low | 43.9 | Very low | 73 Ų | 73 | 136.6 Ų | 136.6 | 75% | 0.753 | 80% | 0.802 | S | S | * | * | trans | 144.2 | 105.2 | 156.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 75 | F | 42.8 | Very low | 44.4 | Very low | 211 Ų | 211 | 136.6 Ų | 136.6 | 93% | 0.925 | 80% | 0.799 | S | S | * | * | trans | -65.2 | 143.6 | 150.9 | -75.4 | -87.6 | 0 | 0 | 0 | 108.1 | ||||
| 76 | P | 50.1 | Low | 45.1 | Very low | 118 Ų | 118 | 138.1 Ų | 138.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -157 | -156.3 | 88.4 | 39.3 | -15.5 | 0 | 0 | 0 | 113.1 | |||||
| 77 | P | 54.2 | Low | 45.2 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | -116.3 | -178.4 | -86.1 | 36.9 | -19.6 | 0 | 0 | 0 | 113 | |||||
| 78 | T | 51.8 | Low | 45.3 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 83% | 0.828 | 80% | 0.802 | S | S | * | * | trans | -42.2 | 142 | 174.2 | 60.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 79 | R | 37.7 | Very low | 45.5 | Very low | 246 Ų | 246 | 137.1 Ų | 137.1 | 93% | 0.928 | 79% | 0.793 | S | S | * | * | trans | -153.2 | 111.9 | 140.8 | -167.2 | 168.6 | 169.9 | -171.9 | -3.9 | 111.3 | ||||
| 80 | A | 47.2 | Very low | 46 | Very low | 94 Ų | 94 | 138.7 Ų | 138.7 | 78% | 0.777 | 79% | 0.791 | S | S | * | * | trans | -69.4 | 145.9 | 166 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 81 | S | 43.1 | Very low | 46.5 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 177.4 | 143.9 | 137.1 | 180 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 82 | T | 44.3 | Very low | 46.3 | Very low | 132 Ų | 132 | 144 Ų | 144 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | 90.6 | 96.1 | 159.2 | -21.4 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 83 | G | 50.6 | Low | 46.7 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | -68.5 | 147.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 84 | Q | 44.2 | Very low | 46.6 | Very low | 183 Ų | 183 | 138.4 Ų | 138.4 | 86% | 0.855 | 77% | 0.77 | S | S | * | * | trans | -146.7 | 126.9 | 134.1 | -71.1 | -157.7 | -37.2 | 0 | 0 | 106.7 | ||||
| 85 | P | 51 | Low | 47.1 | Very low | 113 Ų | 113 | 139.2 Ų | 139.2 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -65.7 | 136.8 | 162.8 | 27.8 | -29.4 | 0 | 0 | 0 | 107.4 | V87 | P85-V87 PolarHBondContact O-N 3.47Š| ||
| 86 | P | 54 | Low | 47.5 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 81% | 0.812 | 76% | 0.756 | S | S | * | * | trans | -61 | 114.6 | 172.6 | 25.7 | -31.3 | 0 | 0 | 0 | 107.2 | Y88 | P86-Y88 PolarHBondContact O-N 3.18Š| ||
| 87 | V | 45.6 | Very low | 47.8 | Very low | 132 Ų | 132 | 140.3 Ų | 140.3 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | -52.4 | 115.1 | 165.9 | -74.3 | 0 | 0 | 0 | 0 | 106.7 | P85 S89 | P85-V87 PolarHBondContact O-N 3.47Å; V87-S89 PolarHBondContact O-N 2.94Å | ||
| 88 | Y | 42.8 | Very low | 47.6 | Very low | 202 Ų | 202 | 140.3 Ų | 140.3 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | trans | -66.7 | 82.4 | 164.3 | -169.5 | -92 | 0 | 0 | 0 | 105.4 | P86 T90 | P86-Y88 PolarHBondContact O-N 3.18Å; Y88-T90 VanDerWaalsContact C-N 3.26Å; Y88-T90 PolarHBondContact O-N 2.81Å | ||
| 89 | S | 47.9 | Very low | 47.8 | Very low | 82 Ų | 82 | 137.5 Ų | 137.5 | 57% | 0.573 | 75% | 0.751 | S | S | * | * | trans | -64.4 | 101.8 | 166.4 | 179.9 | 0 | 0 | 0 | 0 | 104.7 | V87 R91 | V87-S89 PolarHBondContact O-N 2.94Å; S89-R91 PolarHBondContact O-N 2.79Å | ||
| 90 | T | 48 | Very low | 48.7 | Very low | 93 Ų | 93 | 129.8 Ų | 129.8 | 57% | 0.571 | 73% | 0.732 | S | S | * | * | trans | -54.2 | 84.5 | 168.6 | -46 | 0 | 0 | 0 | 0 | 107.8 | Y88 Y92 | Y88-T90 VanDerWaalsContact C-N 3.26Å; Y88-T90 PolarHBondContact O-N 2.81Å; T90-Y92 HydrophobicContact CG2-CD2 3.66Å; T90-Y92 HydrophobicContact CG2-CG 4.49Å; T90-Y92 PolarHBondContact O-N 3.2Å | ||
| 91 | R | 47.9 | Very low | 48.9 | Very low | 224 Ų | 224 | 132 Ų | 132 | 85% | 0.845 | 74% | 0.736 | S | S | * | * | trans | -77.3 | 57.2 | 167.5 | -57.1 | -166.9 | -163.8 | -176.1 | 5.5 | 108.7 | S89 S93 | S89-R91 PolarHBondContact O-N 2.79Å; R91-S93 PolarHBondContact O-N 3.39Å | ||
| 92 | Y | 45.6 | Very low | 49.8 | Very low | 193 Ų | 193 | 129.7 Ų | 129.7 | 76% | 0.757 | 71% | 0.714 | S | S | * | * | trans | -81.8 | 59.2 | 148.7 | -83.4 | -89.6 | 0 | 0 | 0 | 107 | T90 E94 | T90-Y92 HydrophobicContact CG2-CD2 3.66Å; T90-Y92 HydrophobicContact CG2-CG 4.49Å; T90-Y92 PolarHBondContact O-N 3.2Å; Y92-E94 PolarHBondContact O-N 2.81Å | ||
| 93 | S | 50 | Low | 50.8 | Low | 96 Ų | 96 | 126.7 Ų | 126.7 | 67% | 0.671 | 70% | 0.695 | S | S | * | * | trans | -85 | 86.4 | 148.6 | -172.5 | 0 | 0 | 0 | 0 | 103.1 | R91 S95 | R91-S93 PolarHBondContact O-N 3.39Å; S93-S95 PolarHBondContact O-N 3.49Å | ||
| 94 | E | 44.1 | Very low | 51.7 | Low | 164 Ų | 164 | 129.7 Ų | 129.7 | 77% | 0.766 | 70% | 0.702 | S | S | * | * | trans | -61.7 | 87.3 | 166.6 | -168.3 | 168.3 | 114.9 | 0 | 0 | 105.6 | Y92 P96 | Y92-E94 PolarHBondContact O-N 2.81Å; E94-P96 WeakPolarHBondContact O-CD 3.08Å; E94-P96 VanDerWaalsContact O-N 3.1Å | ||
| 95 | S | 46.7 | Very low | 53.2 | Low | 89 Ų | 89 | 124.8 Ų | 124.8 | 62% | 0.622 | 70% | 0.7 | S | S | * | * | trans | -55.2 | 118.7 | 166.4 | -61.9 | 0 | 0 | 0 | 0 | 104.7 | S93 R97 | S93-S95 PolarHBondContact O-N 3.49Å; S95-R97 PolarHBondContact O-N 2.84Å | ||
| 96 | P | 51.4 | Low | 54.8 | Low | 115 Ų | 115 | 124.7 Ų | 124.7 | 75% | 0.747 | 69% | 0.69 | S | S | * | * | trans | -54.9 | 116.3 | 178.5 | 19.9 | -28.3 | 0 | 0 | 0 | 105.3 | E94 S98 | E94-P96 WeakPolarHBondContact O-CD 3.08Å; E94-P96 VanDerWaalsContact O-N 3.1Å; P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 2.8Å | ||
| 97 | R | 55.2 | Low | 56.4 | Low | 238 Ų | 238 | 121.8 Ų | 121.8 | 90% | 0.898 | 67% | 0.671 | S | S | * | * | trans | -55.6 | 102 | 178.3 | -73.1 | 179.4 | 173.5 | -160.4 | -1.7 | 105.2 | S95 S99 | S95-R97 PolarHBondContact O-N 2.84Å; R97-S99 PolarHBondContact O-N 3.11Å | ||
| 98 | S | 50.6 | Low | 58.7 | Low | 112 Ų | 112 | 115.9 Ų | 115.9 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | trans | -54.3 | 110.4 | 177.4 | 51.1 | 0 | 0 | 0 | 0 | 106.1 | P96 | P96-S98 VanDerWaalsContact C-N 3.27Å; P96-S98 PolarHBondContact O-N 2.8Å | ||
| 99 | S | 55 | Low | 61.2 | Low | 77 Ų | 77 | 110.6 Ų | 110.6 | 54% | 0.538 | 62% | 0.615 | S | S | . | * | trans | -51.7 | 143.3 | 168.2 | 42.9 | 0 | 0 | 0 | 0 | 107.7 | R97 T101 | R97-S99 PolarHBondContact O-N 3.11Å; S99-T101 PolarHBondContact O-N 3.4Å | ||
| 100 | P | 57.3 | Low | 63.5 | Low | 84 Ų | 84 | 108 Ų | 108 | 55% | 0.545 | 60% | 0.596 | S | S | . | * | trans | -49.2 | 130 | 176.7 | 21.9 | -32.6 | 0 | 0 | 0 | 109.1 | Q102 | P100-Q102 PolarHBondContact O-N 2.79Š| ||
| 101 | T | 52 | Low | 65.8 | Low | 139 Ų | 139 | 105.9 Ų | 105.9 | 85% | 0.853 | 58% | 0.584 | S | S | * | * | trans | -55 | 106.9 | 177.3 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | S99 T103 | S99-T101 PolarHBondContact O-N 3.4Å; T101-T103 PolarHBondContact O-N 2.99Å | ||
| 102 | Q | 61.9 | Low | 68.2 | Low | 60 Ų | 60 | 95.3 Ų | 95.3 | 28% | 0.28 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 122.8 | -179.5 | -62.3 | -172.6 | 100.5 | 0 | 0 | 108.4 | P100 D160 | P100-Q102 PolarHBondContact O-N 2.79Å; Q102-D160 PolarHBondContact NE2-OD2 3Å |
| 103 | T | 64.1 | Low | 70.6 | Confident | 69 Ų | 69 | 91.1 Ų | 91.1 | 42% | 0.423 | 54% | 0.535 | S | S | . | . | P | Polyproline II helix | trans | -72.8 | 139.4 | 169.5 | 47.1 | 0 | 0 | 0 | 0 | 108.6 | T101 G105 E106 | T101-T103 PolarHBondContact O-N 2.99Å; T103-G105 PolarHBondContact O-N 2.85Å; T103-G105 VanDerWaalsContact O-N 3.15Å; T103-E106 PolarHBondContact O-N 2.83Å; T103-E106 VanDerWaalsContact OG1-CB 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.48Å; T103-E106 PolarHBondContact OG1-OE2 2.92Å |
| 104 | P | 69.9 | Low | 72.8 | Confident | 134 Ų | 134 | 86.7 Ų | 86.7 | 87% | 0.87 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | 120.8 | 177.8 | 23.4 | -30.9 | 0 | 0 | 0 | 109.8 | ||
| 105 | G | 75.7 | Confident | 75.3 | Confident | 79 Ų | 79 | 84.8 Ų | 84.8 | 81% | 0.814 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 101.5 | -9.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116 | T103 | T103-G105 PolarHBondContact O-N 2.85Å; T103-G105 VanDerWaalsContact O-N 3.15Å |
| 106 | E | 84.4 | Confident | 77.6 | Confident | 112 Ų | 112 | 82.6 Ų | 82.6 | 52% | 0.523 | 48% | 0.479 | S | S | . | . | S | Bend | trans | -87.9 | 139.3 | 174 | -161.7 | 171.6 | 169.3 | 0 | 0 | 110.7 | T103 Q182 | T103-E106 PolarHBondContact O-N 2.83Å; T103-E106 VanDerWaalsContact OG1-CB 3.28Å; T103-E106 WeakPolarHBondContact OG1-CB 3.48Å; T103-E106 PolarHBondContact OG1-OE2 2.92Å; E106-Q182 PolarHBondContact O-NE2 3.01Å |
| 107 | P | 88.6 | Confident | 79.8 | Confident | 63 Ų | 63 | 78.4 Ų | 78.4 | 41% | 0.409 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -59.5 | 146.6 | 174.1 | 25.4 | -35 | 0 | 0 | 0 | 111 | K109 A180 | P107-K109 PolarHBondContact O-N 3.34Å; P107-A180 CarbonylContact C-O 3.56Å; P107-A180 WeakPolarHBondContact CA-O 3.28Å; P107-A180 WeakPolarHBondContact CB-O 3.5Å |
| 108 | W | 93.5 | Very high | 81.7 | Confident | 9 Ų | 9 | 72.1 Ų | 72.1 | 3% | 0.034 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 130.6 | 169.5 | 172.5 | 76.2 | 0 | 0 | 0 | 108.9 | V110 V131 I155 I157 V161 I178 E179 A180 | W108-V110 HydrophobicContact CD2-CG2 4.49Å; W108-V110 HydrophobicContact CH2-CG2 4.18Å; W108-V110 HydrophobicContact CZ2-CG2 3.51Å; W108-V131 HydrophobicContact CH2-CG2 4.03Å; W108-V131 HydrophobicContact CZ3-CG2 4.33Å; W108-I155 HydrophobicContact CH2-CG2 4.08Å; W108-I155 HydrophobicContact CZ2-CG2 3.75Å; W108-I157 HydrophobicContact CH2-CG1 4.2Å; W108-V161 HydrophobicContact CB-CG1 4.13Å; W108-V161 HydrophobicContact CB-CG2 3.55Å; W108-V161 HydrophobicContact CD2-CG1 4.31Å; W108-V161 HydrophobicContact CD2-CG2 4.49Å; W108-V161 HydrophobicContact CE3-CG1 4.18Å; W108-V161 HydrophobicContact CG-CG1 4.34Å; W108-V161 HydrophobicContact CG-CG2 3.82Å; W108-I178 HydrophobicContact CH2-CG2 4.16Å; W108-I178 HydrophobicContact CZ3-CG2 3.73Å; W108-E179 CarbonylContact O-C 3.47Å; W108-E179 WeakPolarHBondContact O-CA 3.45Å; W108-A180 HydrophobicContact CE3-CB 3.65Å; W108-A180 HydrophobicContact CZ3-CB 4.25Å; W108-A180 PolarHBondContact N-O 3.27Å; W108-A180 PolarHBondContact O-N 2.66Å |
| 109 | K | 95.1 | Very high | 83.9 | Confident | 90 Ų | 90 | 71 Ų | 71 | 39% | 0.391 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 134.4 | -174.9 | -176.3 | 168.8 | -179.6 | 146.2 | 0 | 112.4 | P107 I177 I178 E179 | P107-K109 PolarHBondContact O-N 3.34Å; K109-I177 HydrophobicContact CD-CG2 4.36Å; K109-I177 HydrophobicContact CG-CG2 4.25Å; K109-I178 CarbonylContact C-O 3.49Å; K109-I178 VanDerWaalsContact CA-O 3.32Å; K109-I178 WeakPolarHBondContact CA-O 3.4Å; K109-E179 HydrophobicContact CB-CG 4.16Å; K109-E179 HydrophobicContact CD-CG 4.1Å; K109-E179 WeakPolarHBondContact CD-OE1 3.23Å; K109-E179 VanDerWaalsContact CE-OE1 3.23Å; K109-E179 WeakPolarHBondContact CE-OE1 3.44Å; K109-E179 HydrophobicContact CG-CG 3.86Å; K109-E179 IonicContact NZ-OE1 2.71Å; K109-E179 PolarHBondContact NZ-OE1 2.97Å |
| 110 | V | 95.9 | Very high | 85.8 | Confident | 29 Ų | 29 | 74.1 Ų | 74.1 | 18% | 0.176 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 134.5 | 175.7 | -179.1 | 0 | 0 | 0 | 0 | 110.5 | W108 V112 I155 I178 | W108-V110 HydrophobicContact CD2-CG2 4.49Å; W108-V110 HydrophobicContact CH2-CG2 4.18Å; W108-V110 HydrophobicContact CZ2-CG2 3.51Å; V110-V112 HydrophobicContact CG1-CG2 4.42Å; V110-I155 HydrophobicContact CG1-CD1 3.82Å; V110-I155 HydrophobicContact CG1-CG1 4.47Å; V110-I155 HydrophobicContact CG1-CG2 4.4Å; V110-I155 HydrophobicContact CG2-CG2 4.18Å; V110-I178 PolarHBondContact N-O 3.11Å; V110-I178 PolarHBondContact O-N 3.15Å |
| 111 | C | 96.8 | Very high | 87.7 | Confident | 47 Ų | 47 | 72 Ų | 72 | 32% | 0.318 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 137.7 | 176.2 | -59.2 | 0 | 0 | 0 | 0 | 111.2 | V175 L176 | C111-V175 HydrophobicContact CB-CG1 3.97Å; C111-L176 CarbonylContact C-O 3.57Å; C111-L176 WeakPolarHBondContact CA-O 3.3Å |
| 112 | V | 97.3 | Very high | 89.9 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 120.7 | 178.9 | -172.9 | 0 | 0 | 0 | 0 | 109.2 | V110 V114 F151 K153 I155 L176 I178 | V110-V112 HydrophobicContact CG1-CG2 4.42Å; V112-V114 HydrophobicContact CG1-CG1 3.95Å; V112-V114 PolarHBondContact O-N 2.91Å; V112-F151 HydrophobicContact CG1-CE1 4.07Å; V112-F151 HydrophobicContact CG1-CZ 3.64Å; V112-K153 HydrophobicContact CB-CD 4.48Å; V112-K153 HydrophobicContact CG1-CD 3.63Å; V112-K153 HydrophobicContact CG2-CD 4.04Å; V112-I155 HydrophobicContact CG2-CD1 3.83Å; V112-L176 HydrophobicContact CB-CB 4.3Å; V112-L176 PolarHBondContact N-O 2.73Å; V112-L176 PolarHBondContact O-N 3.2Å; V112-I178 HydrophobicContact CG2-CD1 4.28Å |
| 113 | N | 96.9 | Very high | 91.6 | Very high | 105 Ų | 105 | 67.2 Ų | 67.2 | 56% | 0.561 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -72.7 | 122.2 | 172.1 | -174.3 | -3.4 | 0 | 0 | 0 | 109.8 | H115 G174 | N113-H115 WeakPolarHBondContact OD1-CB 3.07Å; N113-H115 PolarHBondContact OD1-CD2 2.92Å; N113-H115 PolarHBondContact OD1-N 3.01Å; N113-H115 VanDerWaalsContact OD1-N 3.11Å; N113-G174 PolarHBondContact OD1-O 3.33Å |
| 114 | V | 97.3 | Very high | 93.2 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.018 | 37% | 0.373 | C | S | . | . | trans | -131.8 | 19.7 | -179.3 | -64.3 | 0 | 0 | 0 | 0 | 112 | V112 S116 F117 L122 F151 L170 G174 L176 | V112-V114 HydrophobicContact CG1-CG1 3.95Å; V112-V114 PolarHBondContact O-N 2.91Å; V114-S116 PolarHBondContact O-N 2.75Å; V114-F117 PolarHBondContact O-N 2.75Å; V114-L122 HydrophobicContact CB-CD1 4.11Å; V114-L122 HydrophobicContact CB-CD2 4.22Å; V114-L122 HydrophobicContact CG1-CD2 4.28Å; V114-L122 HydrophobicContact CG2-CD1 3.77Å; V114-F151 HydrophobicContact CG1-CE1 4.1Å; V114-L170 HydrophobicContact CG2-CD1 3.53Å; V114-G174 CarbonylContact C-O 3.54Å; V114-G174 VanDerWaalsContact CG2-O 3.3Å; V114-G174 WeakPolarHBondContact CG2-O 3.43Å; V114-G174 PolarHBondContact N-O 2.93Å; V114-L176 HydrophobicContact CG1-CB 4.28Å; V114-L176 HydrophobicContact CG2-CB 3.88Å | ||
| 115 | H | 96.5 | Very high | 94.5 | Very high | 125 Ų | 125 | 66 Ų | 66 | 58% | 0.579 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -19.9 | -172.8 | 88 | 89.7 | 0 | 0 | 0 | 115.7 | N113 F117 G174 | N113-H115 WeakPolarHBondContact OD1-CB 3.07Å; N113-H115 PolarHBondContact OD1-CD2 2.92Å; N113-H115 PolarHBondContact OD1-N 3.01Å; N113-H115 VanDerWaalsContact OD1-N 3.11Å; H115-F117 VanDerWaalsContact C-N 3.26Å; H115-F117 PolarHBondContact O-N 2.97Å; H115-G174 PolarHBondContact N-O 3.43Å |
| 116 | S | 94.6 | Very high | 95.5 | Very high | 42 Ų | 42 | 65.2 Ų | 65.2 | 29% | 0.294 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | -0.8 | 179 | -73.6 | 0 | 0 | 0 | 0 | 113.8 | V114 | V114-S116 PolarHBondContact O-N 2.75Š|
| 117 | F | 96.9 | Very high | 95.9 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 12% | 0.118 | 34% | 0.34 | C | S | . | . | S | Bend | trans | -127.1 | 145.5 | -175.3 | -62.5 | -89.6 | 0 | 0 | 0 | 110.4 | V114 H115 L122 H137 K149 F151 | V114-F117 PolarHBondContact O-N 2.75Å; H115-F117 VanDerWaalsContact C-N 3.26Å; H115-F117 PolarHBondContact O-N 2.97Å; F117-L122 HydrophobicContact CB-CD2 3.75Å; F117-L122 HydrophobicContact CB-CG 4.19Å; F117-L122 HydrophobicContact CG-CD2 4.15Å; F117-H137 HydrophobicContact CD1-CB 3.76Å; F117-H137 HydrophobicContact CE1-CB 3.86Å; F117-K149 HydrophobicContact CE1-CB 4.1Å; F117-K149 HydrophobicContact CZ-CB 3.96Å; F117-F151 HydrophobicContact CD2-CB 4.44Å; F117-F151 HydrophobicContact CE1-CB 4.23Å; F117-F151 HydrophobicContact CE2-CB 3.54Å; F117-F151 HydrophobicContact CE2-CG 4.23Å; F117-F151 HydrophobicContact CZ-CB 3.42Å; F117-F151 VanDerWaalsContact CZ-CB 3.42Å |
| 118 | K | 95.4 | Very high | 96.2 | Very high | 107 Ų | 107 | 69.1 Ų | 69.1 | 47% | 0.465 | 35% | 0.35 | S | S | . | . | trans | -78.2 | 155.2 | 171.9 | -59.8 | -177.4 | -173.7 | 170.1 | 0 | 110.7 | E120 E121 | K118-E120 HydrophobicContact CB-CG 4.23Å; K118-E120 WeakPolarHBondContact CB-OE1 3.44Å; K118-E120 WeakPolarHBondContact CD-OE1 3.34Å; K118-E120 PolarHBondContact O-N 2.78Å; K118-E121 HydrophobicContact CB-CG 4.12Å; K118-E121 PolarHBondContact N-OE2 2.92Å; K118-E121 WeakPolarHBondContact O-CB 3.49Å; K118-E121 PolarHBondContact O-N 2.89Å | ||
| 119 | P | 96 | Very high | 96.2 | Very high | 87 Ų | 87 | 70.5 Ų | 70.5 | 57% | 0.565 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -54 | -39.4 | 178.1 | -21.8 | 30.5 | 0 | 0 | 0 | 113 | E121 L122 L170 | P119-E121 VanDerWaalsContact C-N 3.25Å; P119-E121 PolarHBondContact O-N 3.09Å; P119-L122 PolarHBondContact O-N 2.82Å; P119-L170 HydrophobicContact CB-CD2 3.88Å; P119-L170 HydrophobicContact CG-CD2 3.7Å |
| 120 | E | 96.3 | Very high | 96.3 | Very high | 143 Ų | 143 | 68.9 Ų | 68.9 | 67% | 0.668 | 36% | 0.36 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.4 | 178.6 | 62.7 | -91.2 | -162.7 | 0 | 0 | 114.7 | K118 | K118-E120 HydrophobicContact CB-CG 4.23Å; K118-E120 WeakPolarHBondContact CB-OE1 3.44Å; K118-E120 WeakPolarHBondContact CD-OE1 3.34Å; K118-E120 PolarHBondContact O-N 2.78Å |
| 121 | E | 96.8 | Very high | 96.3 | Very high | 41 Ų | 41 | 67.5 Ų | 67.5 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | G | 310 helix | trans | -89.3 | -10.3 | 179.9 | -65.6 | 171.8 | 166.5 | 0 | 0 | 112.5 | K118 P119 G135 K136 H137 | K118-E121 HydrophobicContact CB-CG 4.12Å; K118-E121 PolarHBondContact N-OE2 2.92Å; K118-E121 WeakPolarHBondContact O-CB 3.49Å; K118-E121 PolarHBondContact O-N 2.89Å; P119-E121 VanDerWaalsContact C-N 3.25Å; P119-E121 PolarHBondContact O-N 3.09Å; E121-G135 WeakPolarHBondContact O-CA 3.28Å; E121-K136 WeakPolarHBondContact CB-O 3.28Å; E121-K136 PolarHBondContact O-N 3.03Å; E121-H137 VanDerWaalsContact CD-ND1 3.26Å; E121-H137 IonicContact OE1-CE1 3.68Å; E121-H137 IonicContact OE1-CG 3.75Å; E121-H137 IonicContact OE1-ND1 2.77Å; E121-H137 PolarHBondContact OE1-ND1 2.86Å; E121-H137 WeakPolarHBondContact OE2-CB 3.29Å; E121-H137 IonicContact OE2-CG 3.57Å; E121-H137 IonicContact OE2-ND1 3.03Å; E121-H137 PolarHBondContact OE2-ND1 2.85Å |
| 122 | L | 97.8 | Very high | 96.4 | Very high | 28 Ų | 28 | 68.6 Ų | 68.6 | 15% | 0.147 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 141 | -177.2 | -64.3 | 175.1 | 0 | 0 | 0 | 111.5 | V114 F117 P119 S134 L170 | V114-L122 HydrophobicContact CB-CD1 4.11Å; V114-L122 HydrophobicContact CB-CD2 4.22Å; V114-L122 HydrophobicContact CG1-CD2 4.28Å; V114-L122 HydrophobicContact CG2-CD1 3.77Å; F117-L122 HydrophobicContact CB-CD2 3.75Å; F117-L122 HydrophobicContact CB-CG 4.19Å; F117-L122 HydrophobicContact CG-CD2 4.15Å; P119-L122 PolarHBondContact O-N 2.82Å; L122-S134 CarbonylContact C-O 3.6Å; L122-S134 WeakPolarHBondContact CA-O 3.44Å; L122-L170 HydrophobicContact CD1-CD2 4.27Å |
| 123 | N | 97.8 | Very high | 96.4 | Very high | 70 Ų | 70 | 68.5 Ų | 68.5 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 126.8 | 175.1 | -176.3 | -91.6 | 0 | 0 | 0 | 110.3 | K125 S134 | N123-K125 WeakPolarHBondContact OD1-CD 3.48Å; N123-K125 WeakPolarHBondContact OD1-CE 3.45Å; N123-K125 WeakPolarHBondContact OD1-CG 3.17Å; N123-S134 PolarHBondContact N-O 3.43Å; N123-S134 PolarHBondContact O-N 2.9Å; N123-S134 PolarHBondContact O-OG 3.24Å |
| 124 | I | 97.2 | Very high | 96.5 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 31% | 0.313 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 129.6 | -177.7 | -55.1 | 169.7 | 0 | 0 | 0 | 108.2 | V131 E132 V133 A168 L176 | I124-V131 HydrophobicContact CG2-CG1 3.73Å; I124-E132 CarbonylContact C-O 3.47Å; I124-E132 WeakPolarHBondContact CA-O 3.32Å; I124-V133 HydrophobicContact CG1-CG1 4.42Å; I124-A168 HydrophobicContact CD1-CB 3.5Å; I124-A168 VanDerWaalsContact CD1-CB 3.5Å; I124-L176 HydrophobicContact CD1-CD1 3.76Å; I124-L176 HydrophobicContact CD1-CD2 3.7Å; I124-L176 HydrophobicContact CD1-CG 4.29Å; I124-L176 HydrophobicContact CG1-CD2 4.21Å |
| 125 | K | 96.9 | Very high | 96.5 | Very high | 117 Ų | 117 | 65 Ų | 65 | 51% | 0.509 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 131.7 | 179.8 | -71.7 | 171.6 | 177.2 | 159.6 | 0 | 110.2 | N123 V131 E132 | N123-K125 WeakPolarHBondContact OD1-CD 3.48Å; N123-K125 WeakPolarHBondContact OD1-CE 3.45Å; N123-K125 WeakPolarHBondContact OD1-CG 3.17Å; K125-V131 CarbonylContact O-C 3.56Å; K125-V131 WeakPolarHBondContact O-CA 3.37Å; K125-E132 PolarHBondContact N-O 3.19Å; K125-E132 PolarHBondContact O-N 3Å |
| 126 | T | 97 | Very high | 96.5 | Very high | 61 Ų | 61 | 65.7 Ų | 65.7 | 37% | 0.374 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 116.3 | 169.4 | -56.3 | 0 | 0 | 0 | 0 | 108.5 | F130 I157 P163 V166 | T126-F130 CarbonylContact C-O 3.5Å; T126-F130 WeakPolarHBondContact CA-O 3.44Å; T126-I157 HydrophobicContact CG2-CD1 3.66Å; T126-P163 HydrophobicContact CG2-CB 3.96Å; T126-V166 HydrophobicContact CG2-CG2 4.47Å |
| 127 | K | 94.2 | Very high | 96.6 | Very high | 141 Ų | 141 | 64.7 Ų | 64.7 | 61% | 0.613 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 143.9 | -179.6 | -160.1 | -161.1 | 169.3 | -152.9 | 0 | 111.1 | G129 F130 | K127-G129 PolarHBondContact O-N 2.87Å; K127-G129 VanDerWaalsContact O-N 3.14Å; K127-F130 PolarHBondContact N-O 3.29Å; K127-F130 PolarHBondContact O-N 2.87Å |
| 128 | D | 93.8 | Very high | 96.6 | Very high | 116 Ų | 116 | 68.4 Ų | 68.4 | 62% | 0.62 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.1 | 32 | 170.8 | -52.3 | -36.3 | 0 | 0 | 0 | 113.5 | F130 | D128-F130 WeakPolarHBondContact O-CD2 3.32Å; D128-F130 WeakPolarHBondContact O-CE2 3.45Å |
| 129 | G | 93.8 | Very high | 96.5 | Very high | 39 Ų | 39 | 68.3 Ų | 68.3 | 40% | 0.402 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.7 | 16.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | K127 I157 | K127-G129 PolarHBondContact O-N 2.87Å; K127-G129 VanDerWaalsContact O-N 3.14Å; G129-I157 WeakPolarHBondContact O-CB 3.41Å; G129-I157 PolarHBondContact O-N 2.88Å |
| 130 | F | 96.6 | Very high | 96.4 | Very high | 56 Ų | 56 | 71.9 Ų | 71.9 | 25% | 0.246 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 149.6 | 177.1 | -61.4 | -96.3 | 0 | 0 | 0 | 112.1 | T126 K127 D128 K154 I155 Q156 | T126-F130 CarbonylContact C-O 3.5Å; T126-F130 WeakPolarHBondContact CA-O 3.44Å; K127-F130 PolarHBondContact N-O 3.29Å; K127-F130 PolarHBondContact O-N 2.87Å; D128-F130 WeakPolarHBondContact O-CD2 3.32Å; D128-F130 WeakPolarHBondContact O-CE2 3.45Å; F130-K154 HydrophobicContact CB-CD 4.27Å; F130-K154 VanDerWaalsContact CB-CE 3.46Å; F130-K154 HydrophobicContact CB-CG 3.77Å; F130-K154 HydrophobicContact CD1-CD 3.99Å; F130-K154 HydrophobicContact CD1-CG 3.59Å; F130-K154 HydrophobicContact CE1-CD 4.48Å; F130-K154 HydrophobicContact CE1-CG 4.4Å; F130-K154 HydrophobicContact CG-CD 4.06Å; F130-K154 HydrophobicContact CG-CG 3.85Å; F130-I155 CarbonylContact C-O 3.53Å; F130-I155 WeakPolarHBondContact CA-O 3.43Å; F130-I155 WeakPolarHBondContact CB-O 3.39Å; F130-Q156 VanDerWaalsContact CD1-CA 3.46Å; F130-Q156 HydrophobicContact CD1-CB 3.82Å; F130-Q156 HydrophobicContact CD1-CG 4.24Å; F130-Q156 HydrophobicContact CE1-CB 3.63Å; F130-Q156 HydrophobicContact CE1-CG 3.84Å; F130-Q156 HydrophobicContact CZ-CG 4.24Å |
| 131 | V | 97.8 | Very high | 96.3 | Very high | 0 Ų | 0 | 69.8 Ų | 69.8 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 118.1 | 160.2 | -173.8 | 0 | 0 | 0 | 0 | 108.2 | W108 I124 K125 V133 I155 I157 V166 I178 | W108-V131 HydrophobicContact CH2-CG2 4.03Å; W108-V131 HydrophobicContact CZ3-CG2 4.33Å; I124-V131 HydrophobicContact CG2-CG1 3.73Å; K125-V131 CarbonylContact O-C 3.56Å; K125-V131 WeakPolarHBondContact O-CA 3.37Å; V131-V133 HydrophobicContact CG1-CG2 4.46Å; V131-I155 HydrophobicContact CB-CB 4.49Å; V131-I155 PolarHBondContact N-O 2.77Å; V131-I155 PolarHBondContact O-N 2.76Å; V131-I157 HydrophobicContact CG2-CD1 3.68Å; V131-I157 HydrophobicContact CG2-CG1 3.79Å; V131-V166 HydrophobicContact CG2-CG1 3.99Å; V131-V166 HydrophobicContact CG2-CG2 4.31Å; V131-I178 HydrophobicContact CG1-CD1 3.96Å; V131-I178 HydrophobicContact CG1-CG2 4.35Å; V131-I178 HydrophobicContact CG2-CG2 4.36Å |
| 132 | E | 97.8 | Very high | 95.9 | Very high | 70 Ų | 70 | 77.8 Ų | 77.8 | 33% | 0.327 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 119.9 | 174.1 | -172.8 | 178.8 | 127.1 | 0 | 0 | 109.4 | I124 K125 T152 | I124-E132 CarbonylContact C-O 3.47Å; I124-E132 WeakPolarHBondContact CA-O 3.32Å; K125-E132 PolarHBondContact N-O 3.19Å; K125-E132 PolarHBondContact O-N 3Å; E132-T152 HydrophobicContact CG-CG2 4.04Å |
| 133 | V | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 85.5 Ų | 85.5 | 0% | 0 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 121.5 | 173.1 | -174.6 | 0 | 0 | 0 | 0 | 107.5 | I124 V131 F151 T152 K153 L176 I178 | I124-V133 HydrophobicContact CG1-CG1 4.42Å; V131-V133 HydrophobicContact CG1-CG2 4.46Å; V133-F151 HydrophobicContact CB-CE1 4.17Å; V133-F151 HydrophobicContact CG1-CD1 4.4Å; V133-F151 HydrophobicContact CG1-CE1 3.85Å; V133-T152 CarbonylContact O-C 3.5Å; V133-T152 VanDerWaalsContact O-CA 3.28Å; V133-T152 WeakPolarHBondContact O-CA 3.38Å; V133-K153 PolarHBondContact N-O 3.44Å; V133-K153 PolarHBondContact O-N 2.78Å; V133-L176 HydrophobicContact CB-CD2 4.32Å; V133-L176 HydrophobicContact CG1-CD2 3.53Å; V133-L176 HydrophobicContact CG2-CD2 3.77Å; V133-I178 HydrophobicContact CG2-CD1 3.69Å |
| 134 | S | 97.8 | Very high | 95.2 | Very high | 26 Ų | 26 | 85.5 Ų | 85.5 | 18% | 0.182 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 152.8 | 177.2 | 61 | 0 | 0 | 0 | 0 | 111 | L122 N123 F151 | L122-S134 CarbonylContact C-O 3.6Å; L122-S134 WeakPolarHBondContact CA-O 3.44Å; N123-S134 PolarHBondContact N-O 3.43Å; N123-S134 PolarHBondContact O-N 2.9Å; N123-S134 PolarHBondContact O-OG 3.24Å; S134-F151 CarbonylContact C-O 3.56Å; S134-F151 WeakPolarHBondContact CA-O 3.1Å |
| 135 | G | 97.9 | Very high | 94.9 | Very high | 7 Ų | 7 | 83.9 Ų | 83.9 | 7% | 0.072 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 139.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | E121 N150 F151 | E121-G135 WeakPolarHBondContact O-CA 3.28Å; G135-N150 CarbonylContact O-C 3.59Å; G135-N150 WeakPolarHBondContact O-CA 3.39Å; G135-F151 PolarHBondContact N-O 3.08Å; G135-F151 PolarHBondContact O-N 2.7Å |
| 136 | K | 97.4 | Very high | 94.8 | Very high | 140 Ų | 140 | 83.2 Ų | 83.2 | 61% | 0.609 | 43% | 0.433 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 118.8 | 174.1 | -174.1 | -175.3 | 175.7 | -170.6 | 0 | 109.6 | E121 K149 | E121-K136 WeakPolarHBondContact CB-O 3.28Å; E121-K136 PolarHBondContact O-N 3.03Å; K136-K149 WeakPolarHBondContact CA-O 3.29Å |
| 137 | H | 96.7 | Very high | 94.6 | Very high | 22 Ų | 22 | 82.3 Ų | 82.3 | 10% | 0.102 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 137.8 | 179.5 | 178.1 | 71.4 | 0 | 0 | 0 | 109.9 | F117 E121 E139 T148 K149 | F117-H137 HydrophobicContact CD1-CB 3.76Å; F117-H137 HydrophobicContact CE1-CB 3.86Å; E121-H137 VanDerWaalsContact CD-ND1 3.26Å; E121-H137 IonicContact OE1-CE1 3.68Å; E121-H137 IonicContact OE1-CG 3.75Å; E121-H137 IonicContact OE1-ND1 2.77Å; E121-H137 PolarHBondContact OE1-ND1 2.86Å; E121-H137 WeakPolarHBondContact OE2-CB 3.29Å; E121-H137 IonicContact OE2-CG 3.57Å; E121-H137 IonicContact OE2-ND1 3.03Å; E121-H137 PolarHBondContact OE2-ND1 2.85Å; H137-E139 IonicContact NE2-OE2 3.86Å; H137-T148 CarbonylContact O-C 3.48Å; H137-T148 VanDerWaalsContact O-CA 3.26Å; H137-T148 WeakPolarHBondContact O-CA 3.48Å; H137-T148 WeakPolarHBondContact O-CG2 3.42Å; H137-K149 HydrophobicContact CB-CB 4.28Å; H137-K149 PolarHBondContact N-O 3.23Å; H137-K149 PolarHBondContact O-N 2.87Å |
| 138 | E | 95.4 | Very high | 94.6 | Very high | 104 Ų | 104 | 79.4 Ų | 79.4 | 49% | 0.486 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 119 | 173.6 | -171.4 | 179.5 | 117.5 | 0 | 0 | 109.4 | I146 V147 | E138-I146 HydrophobicContact CG-CG2 3.46Å; E138-I146 VanDerWaalsContact CG-CG2 3.46Å; E138-V147 CarbonylContact C-O 3.57Å; E138-V147 WeakPolarHBondContact CA-O 3.3Å |
| 139 | E | 93.8 | Very high | 94.7 | Very high | 105 Ų | 105 | 78 Ų | 78 | 49% | 0.491 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 128 | 178.7 | -176 | 177.3 | -173.9 | 0 | 0 | 109.9 | H137 I146 V147 | H137-E139 IonicContact NE2-OE2 3.86Å; E139-I146 CarbonylContact O-C 3.56Å; E139-I146 WeakPolarHBondContact O-CA 3.15Å; E139-V147 HydrophobicContact CB-CB 4.46Å; E139-V147 PolarHBondContact N-O 2.78Å; E139-V147 PolarHBondContact O-N 3.15Å |
| 140 | K | 94.1 | Very high | 94.8 | Very high | 163 Ų | 163 | 82.9 Ų | 82.9 | 71% | 0.709 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 121.7 | 171.5 | -68 | -177.5 | 178.8 | 178.8 | 0 | 108.9 | I146 | K140-I146 HydrophobicContact CG-CG1 4.48Å |
| 141 | Q | 92.8 | Very high | 94.8 | Very high | 98 Ų | 98 | 82.6 Ų | 82.6 | 46% | 0.458 | 43% | 0.426 | S | S | . | . | trans | -79.7 | 153.1 | 173.6 | -59.6 | -174 | 16.1 | 0 | 0 | 110.6 | E143 G144 G145 V147 | Q141-E143 VanDerWaalsContact C-N 3.27Å; Q141-E143 PolarHBondContact O-N 3.39Å; Q141-G144 PolarHBondContact O-N 3.06Å; Q141-G145 PolarHBondContact N-O 3.02Å; Q141-V147 HydrophobicContact CG-CG2 4Å | ||
| 142 | E | 89.9 | Confident | 94.8 | Very high | 209 Ų | 209 | 87.3 Ų | 87.3 | 98% | 0.977 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -34.4 | -179.5 | -170.6 | 176 | -179.3 | 0 | 0 | 113 | G144 | E142-G144 PolarHBondContact O-N 2.97Å; E142-G144 VanDerWaalsContact O-N 3.17Å |
| 143 | E | 92.5 | Very high | 94.8 | Very high | 190 Ų | 190 | 87.5 Ų | 87.5 | 89% | 0.888 | 45% | 0.454 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.1 | 6.9 | 177.8 | -153.5 | -179.3 | 165.8 | 0 | 0 | 113.5 | Q141 | Q141-E143 VanDerWaalsContact C-N 3.27Å; Q141-E143 PolarHBondContact O-N 3.39Å |
| 144 | G | 87.1 | Confident | 94.7 | Very high | 70 Ų | 70 | 93.1 Ų | 93.1 | 72% | 0.722 | 48% | 0.479 | S | S | * | . | S | Bend | trans | 86.5 | 10.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q141 E142 | Q141-G144 PolarHBondContact O-N 3.06Å; E142-G144 PolarHBondContact O-N 2.97Å; E142-G144 VanDerWaalsContact O-N 3.17Å |
| 145 | G | 91.6 | Very high | 94.7 | Very high | 28 Ų | 28 | 92.8 Ų | 92.8 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | trans | -80.3 | 158.6 | 171 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q141 | Q141-G145 PolarHBondContact N-O 3.02Š| ||
| 146 | I | 93.8 | Very high | 94.6 | Very high | 102 Ų | 102 | 99.1 Ų | 99.1 | 52% | 0.523 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 128.3 | 172.1 | -57.9 | 175.1 | 0 | 0 | 0 | 108.6 | E138 E139 K140 | E138-I146 HydrophobicContact CG-CG2 3.46Å; E138-I146 VanDerWaalsContact CG-CG2 3.46Å; E139-I146 CarbonylContact O-C 3.56Å; E139-I146 WeakPolarHBondContact O-CA 3.15Å; K140-I146 HydrophobicContact CG-CG1 4.48Å |
| 147 | V | 93.4 | Very high | 94.5 | Very high | 43 Ų | 43 | 93 Ų | 93 | 26% | 0.261 | 48% | 0.476 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 121.3 | 169.7 | -175 | 0 | 0 | 0 | 0 | 108.5 | E138 E139 Q141 K149 | E138-V147 CarbonylContact C-O 3.57Å; E138-V147 WeakPolarHBondContact CA-O 3.3Å; E139-V147 HydrophobicContact CB-CB 4.46Å; E139-V147 PolarHBondContact N-O 2.78Å; E139-V147 PolarHBondContact O-N 3.15Å; Q141-V147 HydrophobicContact CG-CG2 4Å; V147-K149 HydrophobicContact CG1-CG 4.42Å |
| 148 | T | 95.2 | Very high | 94.4 | Very high | 80 Ų | 80 | 93.2 Ų | 93.2 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 128.1 | 171.6 | -49 | 0 | 0 | 0 | 0 | 109.6 | H137 | H137-T148 CarbonylContact O-C 3.48Å; H137-T148 VanDerWaalsContact O-CA 3.26Å; H137-T148 WeakPolarHBondContact O-CA 3.48Å; H137-T148 WeakPolarHBondContact O-CG2 3.42Å |
| 149 | K | 95.6 | Very high | 94.2 | Very high | 87 Ų | 87 | 95.6 Ų | 95.6 | 38% | 0.378 | 50% | 0.501 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 135.5 | 170.1 | -62.5 | 176.9 | -179 | 168.9 | 0 | 109.2 | F117 K136 H137 V147 | F117-K149 HydrophobicContact CE1-CB 4.1Å; F117-K149 HydrophobicContact CZ-CB 3.96Å; K136-K149 WeakPolarHBondContact CA-O 3.29Å; H137-K149 HydrophobicContact CB-CB 4.28Å; H137-K149 PolarHBondContact N-O 3.23Å; H137-K149 PolarHBondContact O-N 2.87Å; V147-K149 HydrophobicContact CG1-CG 4.42Å |
| 150 | N | 96.4 | Very high | 94 | Very high | 141 Ų | 141 | 93.3 Ų | 93.3 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 139.9 | 172.9 | 53.8 | 11.5 | 0 | 0 | 0 | 109.8 | G135 | G135-N150 CarbonylContact O-C 3.59Å; G135-N150 WeakPolarHBondContact O-CA 3.39Å |
| 151 | F | 96.6 | Very high | 93.9 | Very high | 50 Ų | 50 | 85.9 Ų | 85.9 | 22% | 0.219 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 137.9 | 178 | 175 | -105.4 | 0 | 0 | 0 | 109.1 | V112 V114 F117 V133 S134 G135 K153 | V112-F151 HydrophobicContact CG1-CE1 4.07Å; V112-F151 HydrophobicContact CG1-CZ 3.64Å; V114-F151 HydrophobicContact CG1-CE1 4.1Å; F117-F151 HydrophobicContact CD2-CB 4.44Å; F117-F151 HydrophobicContact CE1-CB 4.23Å; F117-F151 HydrophobicContact CE2-CB 3.54Å; F117-F151 HydrophobicContact CE2-CG 4.23Å; F117-F151 HydrophobicContact CZ-CB 3.42Å; F117-F151 VanDerWaalsContact CZ-CB 3.42Å; V133-F151 HydrophobicContact CB-CE1 4.17Å; V133-F151 HydrophobicContact CG1-CD1 4.4Å; V133-F151 HydrophobicContact CG1-CE1 3.85Å; S134-F151 CarbonylContact C-O 3.56Å; S134-F151 WeakPolarHBondContact CA-O 3.1Å; G135-F151 PolarHBondContact N-O 3.08Å; G135-F151 PolarHBondContact O-N 2.7Å; F151-K153 HydrophobicContact CE1-CB 3.81Å; F151-K153 HydrophobicContact CE2-CB 4.04Å; F151-K153 HydrophobicContact CZ-CB 3.36Å; F151-K153 HydrophobicContact CZ-CD 3.97Å; F151-K153 HydrophobicContact CZ-CG 4.29Å |
| 152 | T | 96.9 | Very high | 93.8 | Very high | 98 Ų | 98 | 84.1 Ų | 84.1 | 60% | 0.601 | 45% | 0.454 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 122.4 | 169.6 | -53.9 | 0 | 0 | 0 | 0 | 108.4 | E132 V133 | E132-T152 HydrophobicContact CG-CG2 4.04Å; V133-T152 CarbonylContact O-C 3.5Å; V133-T152 VanDerWaalsContact O-CA 3.28Å; V133-T152 WeakPolarHBondContact O-CA 3.38Å |
| 153 | K | 96.8 | Very high | 94 | Very high | 75 Ų | 75 | 77.1 Ų | 77.1 | 33% | 0.326 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 120.7 | 176.8 | -173.8 | 177.1 | -176.3 | -173.7 | 0 | 109.2 | V112 V133 F151 I155 | V112-K153 HydrophobicContact CB-CD 4.48Å; V112-K153 HydrophobicContact CG1-CD 3.63Å; V112-K153 HydrophobicContact CG2-CD 4.04Å; V133-K153 PolarHBondContact N-O 3.44Å; V133-K153 PolarHBondContact O-N 2.78Å; F151-K153 HydrophobicContact CE1-CB 3.81Å; F151-K153 HydrophobicContact CE2-CB 4.04Å; F151-K153 HydrophobicContact CZ-CB 3.36Å; F151-K153 HydrophobicContact CZ-CD 3.97Å; F151-K153 HydrophobicContact CZ-CG 4.29Å; K153-I155 HydrophobicContact CG-CG1 4.39Å |
| 154 | K | 97.3 | Very high | 94 | Very high | 118 Ų | 118 | 74.1 Ų | 74.1 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 127.5 | 178.3 | -170.1 | 171.3 | 175.4 | 173.2 | 0 | 109.3 | F130 | F130-K154 HydrophobicContact CB-CD 4.27Å; F130-K154 VanDerWaalsContact CB-CE 3.46Å; F130-K154 HydrophobicContact CB-CG 3.77Å; F130-K154 HydrophobicContact CD1-CD 3.99Å; F130-K154 HydrophobicContact CD1-CG 3.59Å; F130-K154 HydrophobicContact CE1-CD 4.48Å; F130-K154 HydrophobicContact CE1-CG 4.4Å; F130-K154 HydrophobicContact CG-CD 4.06Å; F130-K154 HydrophobicContact CG-CG 3.85Å |
| 155 | I | 97.1 | Very high | 94.3 | Very high | 19 Ų | 19 | 73 Ų | 73 | 10% | 0.097 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124 | -176.5 | -61.8 | 158.4 | 0 | 0 | 0 | 107.2 | W108 V110 V112 F130 V131 K153 I178 | W108-I155 HydrophobicContact CH2-CG2 4.08Å; W108-I155 HydrophobicContact CZ2-CG2 3.75Å; V110-I155 HydrophobicContact CG1-CD1 3.82Å; V110-I155 HydrophobicContact CG1-CG1 4.47Å; V110-I155 HydrophobicContact CG1-CG2 4.4Å; V110-I155 HydrophobicContact CG2-CG2 4.18Å; V112-I155 HydrophobicContact CG2-CD1 3.83Å; F130-I155 CarbonylContact C-O 3.53Å; F130-I155 WeakPolarHBondContact CA-O 3.43Å; F130-I155 WeakPolarHBondContact CB-O 3.39Å; V131-I155 HydrophobicContact CB-CB 4.49Å; V131-I155 PolarHBondContact N-O 2.77Å; V131-I155 PolarHBondContact O-N 2.76Å; K153-I155 HydrophobicContact CG-CG1 4.39Å; I155-I178 HydrophobicContact CD1-CD1 3.75Å |
| 156 | Q | 96.5 | Very high | 94.5 | Very high | 140 Ų | 140 | 73 Ų | 73 | 65% | 0.654 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 131.3 | 176.1 | -169.7 | 173.2 | -16.5 | 0 | 0 | 109.9 | F130 | F130-Q156 VanDerWaalsContact CD1-CA 3.46Å; F130-Q156 HydrophobicContact CD1-CB 3.82Å; F130-Q156 HydrophobicContact CD1-CG 4.24Å; F130-Q156 HydrophobicContact CE1-CB 3.63Å; F130-Q156 HydrophobicContact CE1-CG 3.84Å; F130-Q156 HydrophobicContact CZ-CG 4.24Å |
| 157 | I | 95.4 | Very high | 94.6 | Very high | 11 Ų | 11 | 74.6 Ų | 74.6 | 6% | 0.056 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -83.1 | 127.3 | 173.4 | -57.5 | 173.2 | 0 | 0 | 0 | 107.1 | W108 T126 G129 V131 V161 P163 V166 | W108-I157 HydrophobicContact CH2-CG1 4.2Å; T126-I157 HydrophobicContact CG2-CD1 3.66Å; G129-I157 WeakPolarHBondContact O-CB 3.41Å; G129-I157 PolarHBondContact O-N 2.88Å; V131-I157 HydrophobicContact CG2-CD1 3.68Å; V131-I157 HydrophobicContact CG2-CG1 3.79Å; I157-V161 HydrophobicContact CG2-CB 3.68Å; I157-V161 HydrophobicContact CG2-CG1 3.65Å; I157-P163 HydrophobicContact CD1-CB 4Å; I157-V166 HydrophobicContact CD1-CG2 4.15Å |
| 158 | P | 94.2 | Very high | 94.7 | Very high | 26 Ų | 26 | 74 Ų | 74 | 17% | 0.169 | 40% | 0.398 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 150.6 | 172.3 | -23.2 | 34 | 0 | 0 | 0 | 112 | D160 V161 | P158-D160 WeakPolarHBondContact CB-OD1 3.2Å; P158-D160 PolarHBondContact O-N 2.71Å; P158-V161 HydrophobicContact CB-CG2 3.97Å; P158-V161 HydrophobicContact CG-CG2 4.04Å; P158-V161 PolarHBondContact O-N 3.35Å; P158-V161 VanDerWaalsContact O-N 3.08Å |
| 159 | T | 90.5 | Very high | 94.8 | Very high | 154 Ų | 154 | 72.4 Ų | 72.4 | 95% | 0.945 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.9 | -178.9 | 33.8 | 0 | 0 | 0 | 0 | 114.2 | V161 | T159-V161 VanDerWaalsContact C-N 3.3Š|
| 160 | D | 90 | Very high | 94.9 | Very high | 58 Ų | 58 | 71.4 Ų | 71.4 | 31% | 0.31 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.9 | -2.7 | 176.6 | 52.7 | -54.7 | 0 | 0 | 0 | 113.2 | Q102 P158 Q182 S183 | Q102-D160 PolarHBondContact NE2-OD2 3Å; P158-D160 WeakPolarHBondContact CB-OD1 3.2Å; P158-D160 PolarHBondContact O-N 2.71Å; D160-Q182 CarbonylContact O-C 3.57Å; D160-Q182 VanDerWaalsContact O-CA 3.3Å; D160-Q182 WeakPolarHBondContact O-CA 3.42Å; D160-S183 PolarHBondContact O-N 3.27Å |
| 161 | V | 92.2 | Very high | 95 | Very high | 6 Ų | 6 | 66.1 Ų | 66.1 | 4% | 0.036 | 36% | 0.362 | C | S | . | . | B | Isolated β-bridge | trans | -106.5 | 132.3 | -178.5 | 174.4 | 0 | 0 | 0 | 0 | 110.3 | W108 I157 P158 T159 P163 A180 Q182 | W108-V161 HydrophobicContact CB-CG1 4.13Å; W108-V161 HydrophobicContact CB-CG2 3.55Å; W108-V161 HydrophobicContact CD2-CG1 4.31Å; W108-V161 HydrophobicContact CD2-CG2 4.49Å; W108-V161 HydrophobicContact CE3-CG1 4.18Å; W108-V161 HydrophobicContact CG-CG1 4.34Å; W108-V161 HydrophobicContact CG-CG2 3.82Å; I157-V161 HydrophobicContact CG2-CB 3.68Å; I157-V161 HydrophobicContact CG2-CG1 3.65Å; P158-V161 HydrophobicContact CB-CG2 3.97Å; P158-V161 HydrophobicContact CG-CG2 4.04Å; P158-V161 PolarHBondContact O-N 3.35Å; P158-V161 VanDerWaalsContact O-N 3.08Å; T159-V161 VanDerWaalsContact C-N 3.3Å; V161-P163 VanDerWaalsContact O-CD 3.29Å; V161-P163 WeakPolarHBondContact O-CD 3.49Å; V161-A180 HydrophobicContact CG1-CB 3.45Å; V161-A180 VanDerWaalsContact CG1-CB 3.45Å; V161-Q182 HydrophobicContact CG2-CG 4.2Å |
| 162 | D | 91.1 | Very high | 94.9 | Very high | 61 Ų | 61 | 70.1 Ų | 70.1 | 33% | 0.326 | 39% | 0.394 | S | S | . | . | trans | -78.5 | 112.9 | 177.4 | -178.8 | -1.8 | 0 | 0 | 0 | 110.5 | V164 T165 R181 | D162-V164 PolarHBondContact O-N 2.91Å; D162-V164 WeakPolarHBondContact OD1-CB 3.43Å; D162-V164 PolarHBondContact OD1-N 2.74Å; D162-T165 HydrophobicContact CB-CG2 3.95Å; D162-T165 PolarHBondContact O-N 2.92Å; D162-T165 VanDerWaalsContact O-N 3.09Å; D162-T165 PolarHBondContact O-OG1 2.94Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.32Å; D162-R181 PolarHBondContact N-O 3.18Å | ||
| 163 | P | 92.6 | Very high | 94.9 | Very high | 62 Ų | 62 | 73 Ų | 73 | 40% | 0.403 | 40% | 0.4 | S | S | . | . | G | 310 helix | trans | -64.3 | -20.8 | -178.3 | 28.4 | -36.5 | 0 | 0 | 0 | 113.5 | T126 I157 V161 T165 V166 | T126-P163 HydrophobicContact CG2-CB 3.96Å; I157-P163 HydrophobicContact CD1-CB 4Å; V161-P163 VanDerWaalsContact O-CD 3.29Å; V161-P163 WeakPolarHBondContact O-CD 3.49Å; P163-T165 VanDerWaalsContact C-N 3.28Å; P163-V166 VanDerWaalsContact O-CG2 3.28Å; P163-V166 WeakPolarHBondContact O-CG2 3.44Å |
| 164 | V | 92.7 | Very high | 94.9 | Very high | 128 Ų | 128 | 69.9 Ų | 69.9 | 78% | 0.776 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -74.1 | -25.2 | 178.5 | -175.4 | 0 | 0 | 0 | 0 | 111.2 | D162 V166 | D162-V164 PolarHBondContact O-N 2.91Å; D162-V164 WeakPolarHBondContact OD1-CB 3.43Å; D162-V164 PolarHBondContact OD1-N 2.74Å; V164-V166 VanDerWaalsContact C-N 3.28Å; V164-V166 PolarHBondContact O-N 3.12Å |
| 165 | T | 93.8 | Very high | 94.9 | Very high | 45 Ų | 45 | 66.5 Ų | 66.5 | 28% | 0.276 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -87.2 | 3.6 | -179.8 | 68.5 | 0 | 0 | 0 | 0 | 113.6 | D162 P163 F167 R181 | D162-T165 HydrophobicContact CB-CG2 3.95Å; D162-T165 PolarHBondContact O-N 2.92Å; D162-T165 VanDerWaalsContact O-N 3.09Å; D162-T165 PolarHBondContact O-OG1 2.94Å; D162-T165 WeakPolarHBondContact OD2-CG2 3.32Å; P163-T165 VanDerWaalsContact C-N 3.28Å; T165-F167 PolarHBondContact O-N 3.46Å; T165-R181 HydrophobicContact CG2-CB 4.19Å; T165-R181 HydrophobicContact CG2-CG 4.42Å; T165-R181 PolarHBondContact OG1-N 3.37Å |
| 166 | V | 96 | Very high | 94.9 | Very high | 30 Ų | 30 | 65.9 Ų | 65.9 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | trans | -63.9 | 123.6 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 110 | T126 V131 I157 P163 V164 I178 E179 A180 | T126-V166 HydrophobicContact CG2-CG2 4.47Å; V131-V166 HydrophobicContact CG2-CG1 3.99Å; V131-V166 HydrophobicContact CG2-CG2 4.31Å; I157-V166 HydrophobicContact CD1-CG2 4.15Å; P163-V166 VanDerWaalsContact O-CG2 3.28Å; P163-V166 WeakPolarHBondContact O-CG2 3.44Å; V164-V166 VanDerWaalsContact C-N 3.28Å; V164-V166 PolarHBondContact O-N 3.12Å; V166-I178 HydrophobicContact CG1-CG2 3.93Å; V166-E179 CarbonylContact C-O 3.6Å; V166-E179 WeakPolarHBondContact CA-O 3.35Å; V166-A180 HydrophobicContact CB-CB 4.49Å; V166-A180 HydrophobicContact CG2-CB 3.85Å | ||
| 167 | F | 96.2 | Very high | 95 | Very high | 135 Ų | 135 | 60.9 Ų | 60.9 | 59% | 0.592 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 150.9 | 174 | 177.6 | -100.7 | 0 | 0 | 0 | 109.9 | T165 I178 E179 | T165-F167 PolarHBondContact O-N 3.46Å; F167-I178 WeakPolarHBondContact O-CA 3.4Å; F167-E179 PolarHBondContact N-O 3.15Å; F167-E179 PolarHBondContact O-N 2.93Å |
| 168 | A | 96.4 | Very high | 95.1 | Very high | 31 Ų | 31 | 60.3 Ų | 60.3 | 26% | 0.256 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 139.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I124 L176 I177 I178 | I124-A168 HydrophobicContact CD1-CB 3.5Å; I124-A168 VanDerWaalsContact CD1-CB 3.5Å; A168-L176 HydrophobicContact CB-CD1 4.25Å; A168-I177 CarbonylContact C-O 3.55Å; A168-I177 VanDerWaalsContact CA-O 3.29Å; A168-I177 WeakPolarHBondContact CA-O 3.39Å; A168-I178 HydrophobicContact CB-CG1 4.32Å |
| 169 | S | 97.1 | Very high | 95.2 | Very high | 45 Ų | 45 | 61.9 Ų | 61.9 | 32% | 0.315 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149 | 174.4 | 61.1 | 0 | 0 | 0 | 0 | 110.1 | L176 I177 | S169-L176 CarbonylContact O-C 3.55Å; S169-L176 WeakPolarHBondContact O-CA 3.37Å; S169-I177 PolarHBondContact N-O 3.17Å; S169-I177 PolarHBondContact O-N 3.03Å |
| 170 | L | 97.6 | Very high | 95.4 | Very high | 66 Ų | 66 | 54.7 Ų | 54.7 | 35% | 0.346 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 124.2 | 179.9 | 179.8 | 60.7 | 0 | 0 | 0 | 109.3 | V114 P119 L122 L176 | V114-L170 HydrophobicContact CG2-CD1 3.53Å; P119-L170 HydrophobicContact CB-CD2 3.88Å; P119-L170 HydrophobicContact CG-CD2 3.7Å; L122-L170 HydrophobicContact CD1-CD2 4.27Å; L170-L176 HydrophobicContact CB-CD1 4.4Å; L170-L176 HydrophobicContact CD1-CB 4.3Å |
| 171 | S | 97.2 | Very high | 95.5 | Very high | 30 Ų | 30 | 60.5 Ų | 60.5 | 21% | 0.21 | 33% | 0.329 | C | S | . | . | trans | -76 | 156.1 | 174.1 | 81.2 | 0 | 0 | 0 | 0 | 111.4 | E173 G174 V175 | S171-E173 PolarHBondContact O-N 3.21Å; S171-E173 PolarHBondContact OG-N 2.73Å; S171-G174 PolarHBondContact O-N 3.34Å; S171-V175 PolarHBondContact N-O 3.01Å; S171-V175 WeakPolarHBondContact OG-CB 3.35Å; S171-V175 PolarHBondContact OG-N 3.14Å; S171-V175 PolarHBondContact OG-O 2.64Å | ||
| 172 | P | 95.9 | Very high | 95.3 | Very high | 135 Ų | 135 | 62.9 Ų | 62.9 | 88% | 0.877 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -28.6 | 173.7 | -25.2 | 35 | 0 | 0 | 0 | 113.8 | G174 | P172-G174 PolarHBondContact O-N 2.95Š|
| 173 | E | 95.7 | Very high | 94.8 | Very high | 157 Ų | 157 | 63.4 Ų | 63.4 | 73% | 0.734 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 5.1 | 177.6 | -55.9 | -54.4 | 144.1 | 0 | 0 | 113.3 | S171 | S171-E173 PolarHBondContact O-N 3.21Å; S171-E173 PolarHBondContact OG-N 2.73Å |
| 174 | G | 96.5 | Very high | 93.9 | Very high | 11 Ų | 11 | 63 Ų | 63 | 11% | 0.113 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 76.5 | 28.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | N113 V114 H115 S171 P172 | N113-G174 PolarHBondContact OD1-O 3.33Å; V114-G174 CarbonylContact C-O 3.54Å; V114-G174 VanDerWaalsContact CG2-O 3.3Å; V114-G174 WeakPolarHBondContact CG2-O 3.43Å; V114-G174 PolarHBondContact N-O 2.93Å; H115-G174 PolarHBondContact N-O 3.43Å; S171-G174 PolarHBondContact O-N 3.34Å; P172-G174 PolarHBondContact O-N 2.95Å |
| 175 | V | 97.8 | Very high | 92.7 | Very high | 46 Ų | 46 | 60.8 Ų | 60.8 | 28% | 0.279 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 113.5 | 173.6 | -174.8 | 0 | 0 | 0 | 0 | 109.3 | C111 S171 I177 | C111-V175 HydrophobicContact CB-CG1 3.97Å; S171-V175 PolarHBondContact N-O 3.01Å; S171-V175 WeakPolarHBondContact OG-CB 3.35Å; S171-V175 PolarHBondContact OG-N 3.14Å; S171-V175 PolarHBondContact OG-O 2.64Å; V175-I177 HydrophobicContact CG1-CG1 4.41Å |
| 176 | L | 98.2 | Very high | 91.3 | Very high | 6 Ų | 6 | 67.8 Ų | 67.8 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 122.3 | 171.6 | -176.3 | 74.5 | 0 | 0 | 0 | 109.4 | C111 V112 V114 I124 V133 A168 S169 L170 I178 | C111-L176 CarbonylContact C-O 3.57Å; C111-L176 WeakPolarHBondContact CA-O 3.3Å; V112-L176 HydrophobicContact CB-CB 4.3Å; V112-L176 PolarHBondContact N-O 2.73Å; V112-L176 PolarHBondContact O-N 3.2Å; V114-L176 HydrophobicContact CG1-CB 4.28Å; V114-L176 HydrophobicContact CG2-CB 3.88Å; I124-L176 HydrophobicContact CD1-CD1 3.76Å; I124-L176 HydrophobicContact CD1-CD2 3.7Å; I124-L176 HydrophobicContact CD1-CG 4.29Å; I124-L176 HydrophobicContact CG1-CD2 4.21Å; V133-L176 HydrophobicContact CB-CD2 4.32Å; V133-L176 HydrophobicContact CG1-CD2 3.53Å; V133-L176 HydrophobicContact CG2-CD2 3.77Å; A168-L176 HydrophobicContact CB-CD1 4.25Å; S169-L176 CarbonylContact O-C 3.55Å; S169-L176 WeakPolarHBondContact O-CA 3.37Å; L170-L176 HydrophobicContact CB-CD1 4.4Å; L170-L176 HydrophobicContact CD1-CB 4.3Å; L176-I178 HydrophobicContact CD2-CD1 4.21Å; L176-I178 HydrophobicContact CD2-CG1 4.3Å; L176-I178 HydrophobicContact CG-CG1 4.33Å |
| 177 | I | 97.6 | Very high | 89.9 | Confident | 35 Ų | 35 | 76 Ų | 76 | 18% | 0.179 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 120.1 | 179.8 | -60.6 | 163.9 | 0 | 0 | 0 | 107.6 | K109 A168 S169 V175 E179 | K109-I177 HydrophobicContact CD-CG2 4.36Å; K109-I177 HydrophobicContact CG-CG2 4.25Å; A168-I177 CarbonylContact C-O 3.55Å; A168-I177 VanDerWaalsContact CA-O 3.29Å; A168-I177 WeakPolarHBondContact CA-O 3.39Å; S169-I177 PolarHBondContact N-O 3.17Å; S169-I177 PolarHBondContact O-N 3.03Å; V175-I177 HydrophobicContact CG1-CG1 4.41Å; I177-E179 HydrophobicContact CG2-CG 3.93Å; I177-E179 WeakPolarHBondContact CG2-OE1 2.97Å |
| 178 | I | 97.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 76 Ų | 76 | 0% | 0 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 125.5 | 178.1 | -60.1 | 161.4 | 0 | 0 | 0 | 107.4 | W108 K109 V110 V112 V131 V133 I155 V166 F167 A168 L176 | W108-I178 HydrophobicContact CH2-CG2 4.16Å; W108-I178 HydrophobicContact CZ3-CG2 3.73Å; K109-I178 CarbonylContact C-O 3.49Å; K109-I178 VanDerWaalsContact CA-O 3.32Å; K109-I178 WeakPolarHBondContact CA-O 3.4Å; V110-I178 PolarHBondContact N-O 3.11Å; V110-I178 PolarHBondContact O-N 3.15Å; V112-I178 HydrophobicContact CG2-CD1 4.28Å; V131-I178 HydrophobicContact CG1-CD1 3.96Å; V131-I178 HydrophobicContact CG1-CG2 4.35Å; V131-I178 HydrophobicContact CG2-CG2 4.36Å; V133-I178 HydrophobicContact CG2-CD1 3.69Å; I155-I178 HydrophobicContact CD1-CD1 3.75Å; V166-I178 HydrophobicContact CG1-CG2 3.93Å; F167-I178 WeakPolarHBondContact O-CA 3.4Å; A168-I178 HydrophobicContact CB-CG1 4.32Å; L176-I178 HydrophobicContact CD2-CD1 4.21Å; L176-I178 HydrophobicContact CD2-CG1 4.3Å; L176-I178 HydrophobicContact CG-CG1 4.33Å |
| 179 | E | 96.3 | Very high | 86.8 | Confident | 59 Ų | 59 | 81.2 Ų | 81.2 | 28% | 0.276 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 146.3 | -177.1 | -70.3 | 175.3 | 179.9 | 0 | 0 | 110.9 | W108 K109 V166 F167 I177 | W108-E179 CarbonylContact O-C 3.47Å; W108-E179 WeakPolarHBondContact O-CA 3.45Å; K109-E179 HydrophobicContact CB-CG 4.16Å; K109-E179 HydrophobicContact CD-CG 4.1Å; K109-E179 WeakPolarHBondContact CD-OE1 3.23Å; K109-E179 VanDerWaalsContact CE-OE1 3.23Å; K109-E179 WeakPolarHBondContact CE-OE1 3.44Å; K109-E179 HydrophobicContact CG-CG 3.86Å; K109-E179 IonicContact NZ-OE1 2.71Å; K109-E179 PolarHBondContact NZ-OE1 2.97Å; V166-E179 CarbonylContact C-O 3.6Å; V166-E179 WeakPolarHBondContact CA-O 3.35Å; F167-E179 PolarHBondContact N-O 3.15Å; F167-E179 PolarHBondContact O-N 2.93Å; I177-E179 HydrophobicContact CG2-CG 3.93Å; I177-E179 WeakPolarHBondContact CG2-OE1 2.97Å |
| 180 | A | 95 | Very high | 84.9 | Confident | 3 Ų | 3 | 81.4 Ų | 81.4 | 3% | 0.025 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 157 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P107 W108 V161 V166 | P107-A180 CarbonylContact C-O 3.56Å; P107-A180 WeakPolarHBondContact CA-O 3.28Å; P107-A180 WeakPolarHBondContact CB-O 3.5Å; W108-A180 HydrophobicContact CE3-CB 3.65Å; W108-A180 HydrophobicContact CZ3-CB 4.25Å; W108-A180 PolarHBondContact N-O 3.27Å; W108-A180 PolarHBondContact O-N 2.66Å; V161-A180 HydrophobicContact CG1-CB 3.45Å; V161-A180 VanDerWaalsContact CG1-CB 3.45Å; V166-A180 HydrophobicContact CB-CB 4.49Å; V166-A180 HydrophobicContact CG2-CB 3.85Å |
| 181 | R | 91.8 | Very high | 83 | Confident | 180 Ų | 180 | 86.2 Ų | 86.2 | 68% | 0.679 | 44% | 0.436 | S | S | * | . | P | Polyproline II helix | trans | -81.8 | 138.3 | 177.4 | -61.3 | -179 | 67.1 | -179.2 | 0 | 110 | D162 T165 | D162-R181 PolarHBondContact N-O 3.18Å; T165-R181 HydrophobicContact CG2-CB 4.19Å; T165-R181 HydrophobicContact CG2-CG 4.42Å; T165-R181 PolarHBondContact OG1-N 3.37Å |
| 182 | Q | 88.2 | Confident | 81.2 | Confident | 55 Ų | 55 | 93 Ų | 93 | 26% | 0.257 | 46% | 0.464 | S | S | . | . | B | Isolated β-bridge | trans | -71.6 | 133.3 | 165.7 | -63.8 | -177.6 | 45.9 | 0 | 0 | 108.7 | E106 D160 V161 | E106-Q182 PolarHBondContact O-NE2 3.01Å; D160-Q182 CarbonylContact O-C 3.57Å; D160-Q182 VanDerWaalsContact O-CA 3.3Å; D160-Q182 WeakPolarHBondContact O-CA 3.42Å; V161-Q182 HydrophobicContact CG2-CG 4.2Å |
| 183 | S | 81 | Confident | 79.1 | Confident | 73 Ų | 73 | 89 Ų | 89 | 51% | 0.51 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -64 | 126.6 | 169 | 179.1 | 0 | 0 | 0 | 0 | 107.8 | D160 | D160-S183 PolarHBondContact O-N 3.27Š|
| 184 | P | 72.8 | Confident | 77 | Confident | 54 Ų | 54 | 87.8 Ų | 87.8 | 35% | 0.351 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -62.4 | 147 | 178.2 | -18.1 | 31.3 | 0 | 0 | 0 | 109.8 | Y186 L188 F189 | P184-Y186 PolarHBondContact O-N 2.96Å; P184-L188 HydrophobicContact CB-CD1 4.44Å; P184-F189 HydrophobicContact CB-CD2 4.33Å; P184-F189 HydrophobicContact CB-CE2 3.45Å; P184-F189 VanDerWaalsContact CB-CE2 3.45Å; P184-F189 HydrophobicContact CB-CZ 3.91Å; P184-F189 HydrophobicContact CG-CE2 3.51Å; P184-F189 HydrophobicContact CG-CZ 3.6Å |
| 185 | P | 69.1 | Low | 74.5 | Confident | 81 Ų | 81 | 95.9 Ų | 95.9 | 53% | 0.526 | 49% | 0.488 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 133.1 | 175.2 | 22.1 | -31.5 | 0 | 0 | 0 | 109.8 | Y187 L188 | P185-Y187 PolarHBondContact O-N 3.08Å; P185-L188 HydrophobicContact CG-CD1 3.73Å; P185-L188 HydrophobicContact CG-CG 4.04Å; P185-L188 PolarHBondContact O-N 3.07Å |
| 186 | Y | 62.9 | Low | 72 | Confident | 192 Ų | 192 | 97.5 Ų | 97.5 | 75% | 0.753 | 51% | 0.514 | S | S | * | . | G | 310 helix | trans | -50.6 | -33.3 | -171.8 | -165.6 | -95.2 | 0 | 0 | 0 | 113.8 | P184 L188 F189 S190 | P184-Y186 PolarHBondContact O-N 2.96Å; Y186-L188 PolarHBondContact O-N 3.01Å; Y186-F189 PolarHBondContact O-N 2.85Å; Y186-S190 PolarHBondContact O-N 3.06Å |
| 187 | Y | 66.7 | Low | 69.4 | Low | 202 Ų | 202 | 104.9 Ų | 104.9 | 79% | 0.792 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -62.8 | -21.7 | 178 | -57.2 | -72.9 | 0 | 0 | 0 | 115 | P185 F189 | P185-Y187 PolarHBondContact O-N 3.08Å; Y187-F189 PolarHBondContact O-N 2.92Å |
| 188 | L | 66.1 | Low | 67.2 | Low | 134 Ų | 134 | 111.1 Ų | 111.1 | 70% | 0.702 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -74.3 | -17.1 | 175 | -67.1 | 177.4 | 0 | 0 | 0 | 112.6 | P184 P185 Y186 | P184-L188 HydrophobicContact CB-CD1 4.44Å; P185-L188 HydrophobicContact CG-CD1 3.73Å; P185-L188 HydrophobicContact CG-CG 4.04Å; P185-L188 PolarHBondContact O-N 3.07Å; Y186-L188 PolarHBondContact O-N 3.01Å |
| 189 | F | 63 | Low | 64.8 | Low | 142 Ų | 142 | 120.2 Ų | 120.2 | 62% | 0.623 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -4.9 | 178 | -63.3 | -66.8 | 0 | 0 | 0 | 113.4 | P184 Y186 Y187 N191 | P184-F189 HydrophobicContact CB-CD2 4.33Å; P184-F189 HydrophobicContact CB-CE2 3.45Å; P184-F189 VanDerWaalsContact CB-CE2 3.45Å; P184-F189 HydrophobicContact CB-CZ 3.91Å; P184-F189 HydrophobicContact CG-CE2 3.51Å; P184-F189 HydrophobicContact CG-CZ 3.6Å; Y186-F189 PolarHBondContact O-N 2.85Å; Y187-F189 PolarHBondContact O-N 2.92Å; F189-N191 PolarHBondContact O-N 2.64Å |
| 190 | S | 57.2 | Low | 62.4 | Low | 49 Ų | 49 | 125.9 Ų | 125.9 | 34% | 0.343 | 65% | 0.648 | S | S | . | * | trans | -67.3 | 97.5 | 171 | -71.2 | 0 | 0 | 0 | 0 | 108.9 | Y186 E192 | Y186-S190 PolarHBondContact O-N 3.06Å; S190-E192 PolarHBondContact O-N 3.37Å | ||
| 191 | N | 57.6 | Low | 59.9 | Low | 166 Ų | 166 | 129.9 Ų | 129.9 | 89% | 0.888 | 68% | 0.68 | S | S | * | * | trans | -75.1 | 28.8 | 175 | -136.1 | 62.6 | 0 | 0 | 0 | 112.4 | F189 G193 | F189-N191 PolarHBondContact O-N 2.64Å; N191-G193 VanDerWaalsContact C-N 3.27Å; N191-G193 PolarHBondContact O-N 3.32Å; N191-G193 VanDerWaalsContact O-N 3.11Å | ||
| 192 | E | 58.8 | Low | 57.7 | Low | 173 Ų | 173 | 126.3 Ų | 126.3 | 81% | 0.808 | 68% | 0.683 | S | S | * | * | trans | -84.3 | 76 | 172.6 | -51.7 | -172.7 | 143.6 | 0 | 0 | 107.3 | S190 | S190-E192 PolarHBondContact O-N 3.37Š| ||
| 193 | G | 51.4 | Low | 55.4 | Low | 51 Ų | 51 | 131.8 Ų | 131.8 | 53% | 0.526 | 71% | 0.708 | S | S | . | * | trans | -53.6 | 141 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109 | N191 Q195 | N191-G193 VanDerWaalsContact C-N 3.27Å; N191-G193 PolarHBondContact O-N 3.32Å; N191-G193 VanDerWaalsContact O-N 3.11Å; G193-Q195 PolarHBondContact O-N 2.78Å | ||
| 194 | P | 50.8 | Low | 53.7 | Low | 132 Ų | 132 | 133.9 Ų | 133.9 | 86% | 0.857 | 72% | 0.723 | S | S | * | * | trans | -56.5 | 116.7 | 173.5 | 22.3 | -29.4 | 0 | 0 | 0 | 107.7 | G196 | P194-G196 PolarHBondContact O-N 3.47Š| ||
| 195 | Q | 44.2 | Very low | 52.5 | Low | 181 Ų | 181 | 139.2 Ų | 139.2 | 85% | 0.846 | 74% | 0.744 | S | S | * | * | trans | -56.9 | 110.4 | 170 | -71.2 | 177.9 | -26.9 | 0 | 0 | 106.6 | G193 E197 | G193-Q195 PolarHBondContact O-N 2.78Å; Q195-E197 PolarHBondContact O-N 3.11Å; Q195-E197 VanDerWaalsContact O-N 3.07Å | ||
| 196 | G | 45.4 | Very low | 51.3 | Low | 79 Ų | 79 | 144.6 Ų | 144.6 | 81% | 0.814 | 76% | 0.761 | S | S | * | * | trans | -57.8 | 112.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P194 M198 | P194-G196 PolarHBondContact O-N 3.47Å; G196-M198 PolarHBondContact O-N 3.39Å | ||
| 197 | E | 43.8 | Very low | 50.5 | Low | 162 Ų | 162 | 140 Ų | 140 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | trans | -66 | 113.3 | 175.5 | -62 | 174.9 | -171.7 | 0 | 0 | 109.6 | Q195 | Q195-E197 PolarHBondContact O-N 3.11Å; Q195-E197 VanDerWaalsContact O-N 3.07Å | ||
| 198 | M | 51.7 | Low | 49.4 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | 41.1 | 98.4 | 138.1 | 37.3 | 177.4 | 169.4 | 0 | 0 | 118.6 | G196 | G196-M198 PolarHBondContact O-N 3.39Š| ||
| 199 | E | 47.6 | Very low | 48.8 | Very low | 191 Ų | 191 | 140.5 Ų | 140.5 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | -101.3 | 96.9 | 153.4 | -158.5 | 176.5 | 160.2 | 0 | 0 | 108.8 | A201 | E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 3.27Å | ||
| 200 | E | 46.1 | Very low | 47.9 | Very low | 179 Ų | 179 | 142.9 Ų | 142.9 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -69.7 | 84.4 | 172.1 | -174.9 | 176.4 | 113 | 0 | 0 | 109.5 | S202 | E200-S202 PolarHBondContact O-N 3.11Š| ||
| 201 | A | 41.3 | Very low | 47.5 | Very low | 86 Ų | 86 | 149.5 Ų | 149.5 | 71% | 0.711 | 81% | 0.807 | S | S | * | * | trans | -79.3 | 100.4 | 166 | 0 | 0 | 0 | 0 | 0 | 108.9 | E199 Q203 | E199-A201 VanDerWaalsContact C-N 3.31Å; E199-A201 PolarHBondContact O-N 3.27Å; A201-Q203 PolarHBondContact O-N 2.99Å; A201-Q203 VanDerWaalsContact O-N 3.11Å | ||
| 202 | S | 47.1 | Very low | 46.9 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | trans | -46 | 112.9 | 164.9 | -73.1 | 0 | 0 | 0 | 0 | 110.9 | E200 | E200-S202 PolarHBondContact O-N 3.11Š| ||
| 203 | Q | 38.9 | Very low | 46.5 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 79% | 0.794 | 80% | 0.802 | S | S | * | * | trans | -117 | 84 | 164.6 | -158.7 | 166.5 | 60.8 | 0 | 0 | 108.7 | A201 Q205 | A201-Q203 PolarHBondContact O-N 2.99Å; A201-Q203 VanDerWaalsContact O-N 3.11Å; Q203-Q205 PolarHBondContact O-N 3.24Å | ||
| 204 | S | 45.8 | Very low | 46.3 | Very low | 117 Ų | 117 | 148.4 Ų | 148.4 | 82% | 0.818 | 82% | 0.818 | S | S | * | * | trans | -68.4 | 106.8 | 163.2 | -57.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 205 | Q | 46.4 | Very low | 46.2 | Very low | 167 Ų | 167 | 151.9 Ų | 151.9 | 78% | 0.78 | 84% | 0.836 | S | S | * | * | trans | -134.6 | 92.2 | 160.8 | -84.7 | -172.3 | -31.8 | 0 | 0 | 110.4 | Q203 | Q203-Q205 PolarHBondContact O-N 3.24Š| ||
| 206 | E | 45.8 | Very low | 46.3 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 90% | 0.902 | 84% | 0.836 | S | S | * | * | trans | 44.4 | 110.1 | 130.6 | -155.8 | 129.1 | 95.5 | 0 | 0 | 119.1 | ||||
| 207 | A | 44.5 | Very low | 46.3 | Very low | 97 Ų | 97 | 154.2 Ų | 154.2 | 80% | 0.802 | 84% | 0.837 | S | S | * | * | trans | -70.2 | 128.3 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 208 | R | 44 | Very low | 46.5 | Very low | 239 Ų | 239 | 153.7 Ų | 153.7 | 90% | 0.902 | 84% | 0.841 | S | S | * | * | trans | -75.8 | 159.2 | 149.1 | -113.9 | -168.1 | 172.5 | 178.1 | -2 | 108.5 | ||||
| 209 | P | 52.9 | Low | 46.2 | Very low | 106 Ų | 106 | 153.1 Ų | 153.1 | 69% | 0.688 | 84% | 0.843 | S | S | * | * | cis | -126.5 | -177.5 | 30.1 | 29.3 | -5.4 | 0 | 0 | 0 | 110.9 | ||||
| 210 | Q | 44.8 | Very low | 46.1 | Very low | 192 Ų | 192 | 150.7 Ų | 150.7 | 90% | 0.897 | 84% | 0.84 | S | S | * | * | -158.8 | 146.9 | 90.1 | -56.7 | -161.4 | -21.8 | 0 | 0 | 112.9 | |||||
| 211 | E | 48.1 | Very low | 46.1 | Very low | 189 Ų | 189 | 148.8 Ų | 148.8 | 88% | 0.883 | 84% | 0.84 | S | S | * | * | trans | -69.5 | 142.9 | 174.6 | 172.3 | -172.1 | 122.1 | 0 | 0 | 113.3 | ||||
| 212 | A | 45.2 | Very low | 46.4 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 85% | 0.849 | S | S | * | * | 174.8 | 138 | 127.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 213 | A | 51.3 | Low | 46.4 | Very low | 96 Ų | 96 | 157 Ų | 157 | 79% | 0.793 | 86% | 0.858 | S | S | * | * | trans | -66.9 | 169.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 214 | M | 46.8 | Very low | 47 | Very low | 175 Ų | 175 | 155.9 Ų | 155.9 | 86% | 0.862 | 86% | 0.863 | S | S | * | * | 148.4 | 121.1 | 108.2 | -160.1 | 157.1 | -164.1 | 0 | 0 | 112.6 | |||||
| 215 | V | 48.7 | Very low | 47.1 | Very low | 204 Ų | 204 | 159.5 Ų | 159.5 | 100% | 1.236 | 87% | 0.867 | S | S | * | * | trans | 69.5 | 0 | 153.3 | 179.7 | 0 | 0 | 0 | 0 | 118.9 |
Retrieved 215 of 215 residues in 350.7 ms
(Link to these results)