| 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 | 31.6 | Very low | 35.2 | Very low | 235 Ų | 235 | 135.7 Ų | 135.7 | 100% | 1.158 | 87% | 0.874 | S | S | * | * | 0 | 133.1 | 0 | -76.5 | 172.8 | 175 | 0 | 0 | 108 | |||||
| 2 | Q | 26.6 | Very low | 35.5 | Very low | 196 Ų | 196 | 132.3 Ų | 132.3 | 92% | 0.916 | 87% | 0.866 | S | S | * | * | trans | 61.5 | 141.2 | 178.9 | -92.2 | 124.8 | 5.9 | 0 | 0 | 118.3 | ||||
| 3 | A | 26.9 | Very low | 36.1 | Very low | 93 Ų | 93 | 134.4 Ų | 134.4 | 77% | 0.769 | 86% | 0.864 | S | S | * | * | cis | -160.8 | 159.2 | -5.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 4 | A | 34.2 | Very low | 36.4 | Very low | 88 Ų | 88 | 136.4 Ų | 136.4 | 73% | 0.727 | 86% | 0.863 | S | S | * | * | trans | -76 | 176.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 5 | P | 34 | Very low | 36.8 | Very low | 134 Ų | 134 | 136.6 Ų | 136.6 | 87% | 0.87 | 85% | 0.854 | S | S | * | * | -123.1 | 144.8 | 115 | 34.5 | -29.1 | 0 | 0 | 0 | 113.6 | |||||
| 6 | R | 36.4 | Very low | 36.8 | Very low | 247 Ų | 247 | 143.8 Ų | 143.8 | 93% | 0.932 | 86% | 0.86 | S | S | * | * | trans | -76.2 | 133 | 175.2 | -69.6 | 174.5 | 167.9 | 179 | -4.5 | 109.9 | ||||
| 7 | A | 41.7 | Very low | 37.5 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 88% | 0.884 | 85% | 0.853 | S | S | * | * | trans | -111 | 110.4 | 156.7 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 8 | G | 38.4 | Very low | 38 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 79% | 0.794 | 85% | 0.85 | S | S | * | * | trans | -80.1 | 138.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 9 | C | 39.4 | Very low | 38.5 | Very low | 138 Ų | 138 | 140.9 Ų | 140.9 | 93% | 0.932 | 84% | 0.843 | S | S | * | * | trans | -137.5 | 99.2 | 156.4 | -112.7 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 10 | G | 38.2 | Very low | 38.9 | Very low | 80 Ų | 80 | 138.8 Ų | 138.8 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -86.8 | 131.5 | 162.7 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 11 | A | 40 | Very low | 39.4 | Very low | 98 Ų | 98 | 138.3 Ų | 138.3 | 81% | 0.81 | 84% | 0.836 | S | S | * | * | trans | -162.1 | 112 | 153.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 12 | A | 38.8 | Very low | 40.3 | Very low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | 43.8 | 110.1 | 141 | 0 | 0 | 0 | 0 | 0 | 119.8 | L14 | A12-L14 PolarHBondContact O-N 3.39Š| ||
| 13 | L | 42.8 | Very low | 41.1 | Very low | 160 Ų | 160 | 130.3 Ų | 130.3 | 84% | 0.838 | 81% | 0.812 | S | S | * | * | trans | -60.8 | 117.9 | 149.8 | -113.8 | 110.2 | 0 | 0 | 0 | 109.5 | ||||
| 14 | L | 40.8 | Very low | 42 | Very low | 163 Ų | 163 | 136.7 Ų | 136.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -143.2 | 110.7 | 148.9 | -84.1 | 174.7 | 0 | 0 | 0 | 108.4 | A12 | A12-L14 PolarHBondContact O-N 3.39Š| ||
| 15 | L | 41.8 | Very low | 42.8 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 73% | 0.728 | 81% | 0.813 | S | S | * | * | trans | -75.3 | 127.4 | 172.3 | -85.7 | 154.4 | 0 | 0 | 0 | 110 | ||||
| 16 | W | 36.6 | Very low | 43.3 | Very low | 252 Ų | 252 | 141.7 Ų | 141.7 | 96% | 0.955 | 82% | 0.816 | S | S | * | * | trans | -146.5 | 125.2 | 143.6 | -80.8 | 90.4 | 0 | 0 | 0 | 110.2 | ||||
| 17 | I | 49.6 | Very low | 44.4 | Very low | 144 Ų | 144 | 136.1 Ų | 136.1 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | trans | -72.8 | 136.5 | 174 | -50.5 | 169.6 | 0 | 0 | 0 | 106 | ||||
| 18 | V | 46.2 | Very low | 45.1 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | 179.3 | 145.4 | 76.8 | 178.2 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 19 | S | 48.3 | Very low | 45.8 | Very low | 103 Ų | 103 | 137.5 Ų | 137.5 | 72% | 0.72 | 80% | 0.804 | S | S | * | * | trans | 131.1 | 119.6 | 140.4 | -158.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 20 | S | 46 | Very low | 46.4 | Very low | 98 Ų | 98 | 135.9 Ų | 135.9 | 69% | 0.685 | 79% | 0.794 | S | S | * | * | trans | 62.4 | 102.6 | 167.2 | 37.9 | 0 | 0 | 0 | 0 | 117.3 | L22 | S20-L22 PolarHBondContact O-N 3.38Š| ||
| 21 | C | 48.4 | Very low | 47.1 | Very low | 128 Ų | 128 | 138.1 Ų | 138.1 | 87% | 0.865 | 79% | 0.791 | S | S | * | * | trans | -45 | 95.2 | 155.5 | -103.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 22 | L | 51.8 | Low | 48 | Very low | 148 Ų | 148 | 138.3 Ų | 138.3 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -121.7 | 73.7 | 151.4 | -76.5 | 164 | 0 | 0 | 0 | 106.3 | S20 R24 | S20-L22 PolarHBondContact O-N 3.38Å; L22-R24 PolarHBondContact O-N 3.26Å | ||
| 23 | C | 42 | Very low | 49.2 | Very low | 116 Ų | 116 | 142 Ų | 142 | 78% | 0.784 | 79% | 0.788 | S | S | * | * | trans | -59.3 | 86.4 | 146.4 | -68.5 | 0 | 0 | 0 | 0 | 105.8 | A25 | C23-A25 PolarHBondContact O-N 2.89Š| ||
| 24 | R | 47.6 | Very low | 50.9 | Low | 227 Ų | 227 | 142.4 Ų | 142.4 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | trans | -64 | 85.8 | 149.8 | -90.6 | -174.9 | 165.2 | -132.8 | -0.8 | 104.4 | L22 W26 | L22-R24 PolarHBondContact O-N 3.26Å; R24-W26 PolarHBondContact O-N 3.13Å | ||
| 25 | A | 50.5 | Low | 52.9 | Low | 81 Ų | 81 | 136.9 Ų | 136.9 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | -46.9 | 112.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 105.4 | C23 T27 | C23-A25 PolarHBondContact O-N 2.89Å; A25-T27 PolarHBondContact O-N 2.99Å | ||
| 26 | W | 44.6 | Very low | 55.1 | Low | 245 Ų | 245 | 136.2 Ų | 136.2 | 93% | 0.928 | 76% | 0.755 | S | S | * | * | trans | -53.9 | 112.9 | 162.4 | -83.8 | 22.8 | 0 | 0 | 0 | 105.5 | R24 A28 | R24-W26 PolarHBondContact O-N 3.13Å; W26-A28 PolarHBondContact O-N 3.18Å | ||
| 27 | T | 58.3 | Low | 57.6 | Low | 131 Ų | 131 | 131.6 Ų | 131.6 | 80% | 0.804 | 74% | 0.744 | S | S | * | * | trans | -54.3 | 110.4 | 168.5 | 45.3 | 0 | 0 | 0 | 0 | 106.4 | A25 P29 | A25-T27 PolarHBondContact O-N 2.99Å; T27-P29 WeakPolarHBondContact O-CD 3.22Å | ||
| 28 | A | 57.8 | Low | 59.7 | Low | 91 Ų | 91 | 128.7 Ų | 128.7 | 75% | 0.752 | 73% | 0.734 | S | S | * | * | trans | -55.3 | 125.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.5 | W26 S30 | W26-A28 PolarHBondContact O-N 3.18Å; A28-S30 PolarHBondContact O-N 3.2Å | ||
| 29 | P | 52.2 | Low | 62 | Low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 71% | 0.712 | S | S | * | * | trans | -67.1 | 127 | 174.4 | -15.2 | 28.7 | 0 | 0 | 0 | 109.6 | T27 | T27-P29 WeakPolarHBondContact O-CD 3.22Š| ||
| 30 | S | 51.3 | Low | 64.1 | Low | 104 Ų | 104 | 122.5 Ų | 122.5 | 73% | 0.727 | 69% | 0.689 | S | S | * | * | trans | 32.1 | 110.8 | 166.6 | 60.9 | 0 | 0 | 0 | 0 | 116.9 | A28 S32 | A28-S30 PolarHBondContact O-N 3.2Å; S30-S32 PolarHBondContact O-N 2.79Å | ||
| 31 | T | 53.8 | Low | 66.2 | Low | 126 Ų | 126 | 121 Ų | 121 | 77% | 0.773 | 68% | 0.679 | S | S | * | * | trans | -42.6 | 115.6 | 151.3 | 50.4 | 0 | 0 | 0 | 0 | 108.9 | Q33 | T31-Q33 PolarHBondContact O-N 2.66Š| ||
| 32 | S | 58.1 | Low | 68.2 | Low | 102 Ų | 102 | 118.5 Ų | 118.5 | 71% | 0.713 | 68% | 0.675 | S | S | * | * | trans | -46.5 | 110.6 | 162.9 | 175.8 | 0 | 0 | 0 | 0 | 107.1 | S30 K34 | S30-S32 PolarHBondContact O-N 2.79Å; S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.96Å | ||
| 33 | Q | 65.2 | Low | 70.3 | Confident | 171 Ų | 171 | 112.9 Ų | 112.9 | 80% | 0.799 | 65% | 0.646 | S | S | * | * | trans | -67.7 | 95.6 | 178.8 | -75.9 | -157 | -46.4 | 0 | 0 | 107.4 | T31 C35 | T31-Q33 PolarHBondContact O-N 2.66Å; Q33-C35 PolarHBondContact O-N 2.95Å; Q33-C35 PolarHBondContact O-SG 3.42Å | ||
| 34 | K | 78 | Confident | 72.9 | Confident | 169 Ų | 169 | 111 Ų | 111 | 74% | 0.735 | 63% | 0.632 | S | S | * | * | trans | -64.7 | 120.3 | 174.8 | -72 | -174.6 | 177.4 | -179 | 0 | 108.5 | S32 D36 | S32-K34 VanDerWaalsContact C-N 3.3Å; S32-K34 PolarHBondContact O-N 2.96Å; K34-D36 VanDerWaalsContact C-N 3.32Å; K34-D36 PolarHBondContact O-N 2.83Å | ||
| 35 | C | 83.4 | Confident | 75.2 | Confident | 47 Ų | 47 | 104.4 Ų | 104.4 | 32% | 0.318 | 61% | 0.611 | S | S | . | * | trans | -99 | 52.1 | -179.3 | -64.7 | 0 | 0 | 0 | 0 | 110.2 | Q33 S96 | Q33-C35 PolarHBondContact O-N 2.95Å; Q33-C35 PolarHBondContact O-SG 3.42Å; C35-S96 PolarHBondContact O-OG 3.11Å | ||
| 36 | D | 87.8 | Confident | 77.4 | Confident | 126 Ų | 126 | 107 Ų | 107 | 67% | 0.674 | 62% | 0.618 | S | S | * | * | trans | -109 | -2.2 | -172.8 | -57.3 | -36.8 | 0 | 0 | 0 | 112.8 | K34 | K34-D36 VanDerWaalsContact C-N 3.32Å; K34-D36 PolarHBondContact O-N 2.83Å | ||
| 37 | E | 89.9 | Confident | 79.9 | Confident | 155 Ų | 155 | 96 Ų | 96 | 72% | 0.724 | 58% | 0.58 | S | S | * | * | S | Bend | trans | -72.9 | 133.2 | -177 | -70.5 | -60.3 | 147.3 | 0 | 0 | 112.4 | L39 | E37-L39 PolarHBondContact O-N 3.31Å; E37-L39 VanDerWaalsContact O-N 3.16Å |
| 38 | P | 92.4 | Very high | 81.8 | Confident | 82 Ų | 82 | 90.4 Ų | 90.4 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | trans | -72.7 | 111.5 | -178.5 | 29.5 | -34.4 | 0 | 0 | 0 | 111.4 | V40 S41 | P38-V40 PolarHBondContact O-N 2.79Å; P38-S41 WeakPolarHBondContact CB-OG 3.44Å | ||
| 39 | L | 93.9 | Very high | 83.7 | Confident | 63 Ų | 63 | 88.8 Ų | 88.8 | 33% | 0.33 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -23.5 | -173 | -59.5 | 179.3 | 0 | 0 | 0 | 114.8 | E37 F89 K93 I95 | E37-L39 PolarHBondContact O-N 3.31Å; E37-L39 VanDerWaalsContact O-N 3.16Å; L39-F89 HydrophobicContact CB-CD1 4.18Å; L39-F89 HydrophobicContact CB-CE1 3.61Å; L39-F89 HydrophobicContact CB-CZ 4.33Å; L39-F89 HydrophobicContact CD1-CE1 4.32Å; L39-F89 HydrophobicContact CD1-CZ 4.43Å; L39-K93 HydrophobicContact CD1-CB 4.07Å; L39-K93 HydrophobicContact CD1-CG 4.44Å; L39-I95 HydrophobicContact CD1-CG1 4.24Å |
| 40 | V | 93.7 | Very high | 85.9 | Confident | 40 Ų | 40 | 84 Ų | 84 | 24% | 0.242 | 50% | 0.496 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.1 | -15.5 | -171.1 | -60.3 | 0 | 0 | 0 | 0 | 114.5 | P38 G42 L43 F48 V87 F89 | P38-V40 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact C-N 3.35Å; V40-G42 PolarHBondContact O-N 2.89Å; V40-L43 PolarHBondContact O-N 2.88Å; V40-F48 HydrophobicContact CB-CZ 4.2Å; V40-V87 HydrophobicContact CG1-CG1 4.31Å; V40-F89 HydrophobicContact CG1-CE1 4.18Å |
| 41 | S | 89.9 | Confident | 88.1 | Confident | 66 Ų | 66 | 81.1 Ų | 81.1 | 46% | 0.462 | 48% | 0.476 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -41.4 | -171.8 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | P38 | P38-S41 WeakPolarHBondContact CB-OG 3.44Š|
| 42 | G | 90.9 | Very high | 90.2 | Very high | 76 Ų | 76 | 76.4 Ų | 76.4 | 78% | 0.784 | 45% | 0.448 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -3.2 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | V40 | V40-G42 VanDerWaalsContact C-N 3.35Å; V40-G42 PolarHBondContact O-N 2.89Å |
| 43 | L | 95.2 | Very high | 92.1 | Very high | 31 Ų | 31 | 73.4 Ų | 73.4 | 16% | 0.162 | 43% | 0.427 | C | S | . | . | trans | -76.3 | 142.2 | -175.3 | -63.6 | 179 | 0 | 0 | 0 | 111.9 | V40 A47 F48 K64 V87 F89 | V40-L43 PolarHBondContact O-N 2.88Å; L43-A47 HydrophobicContact CB-CB 3.97Å; L43-A47 HydrophobicContact CD1-CB 4.38Å; L43-F48 HydrophobicContact CB-CE2 3.77Å; L43-F48 HydrophobicContact CB-CZ 4.16Å; L43-F48 HydrophobicContact CD1-CZ 4.32Å; L43-K64 VanDerWaalsContact O-CE 3.24Å; L43-K64 WeakPolarHBondContact O-CE 3.46Å; L43-K64 PolarHBondContact O-NZ 3.09Å; L43-V87 HydrophobicContact CD1-CG1 3.5Å; L43-V87 VanDerWaalsContact CD1-CG1 3.5Å; L43-F89 HydrophobicContact CD1-CD1 3.75Å; L43-F89 HydrophobicContact CD1-CE1 3.9Å | ||
| 44 | P | 96.1 | Very high | 93.5 | Very high | 77 Ų | 77 | 69.9 Ų | 69.9 | 50% | 0.5 | 41% | 0.413 | S | S | . | . | trans | -71.1 | 163.3 | 173.9 | 32.4 | -36.6 | 0 | 0 | 0 | 111.3 | V46 A47 F48 | P44-V46 HydrophobicContact CB-CG2 4.03Å; P44-V46 HydrophobicContact CG-CG2 3.76Å; P44-V46 PolarHBondContact O-N 2.79Å; P44-A47 HydrophobicContact CG-CB 4.31Å; P44-A47 VanDerWaalsContact O-CB 3.28Å; P44-A47 WeakPolarHBondContact O-CB 3.32Å; P44-A47 PolarHBondContact O-N 2.96Å; P44-F48 WeakPolarHBondContact O-CD2 3.28Å; P44-F48 WeakPolarHBondContact O-CE2 3.38Å | ||
| 45 | H | 96.3 | Very high | 94.4 | Very high | 88 Ų | 88 | 64.4 Ų | 64.4 | 41% | 0.407 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -58.1 | -32.8 | 178.8 | -81.8 | -148.8 | 0 | 0 | 0 | 113 | A47 F48 G61 Y62 | H45-A47 PolarHBondContact O-N 3.38Å; H45-F48 PolarHBondContact O-N 3.37Å; H45-G61 PolarHBondContact CD2-O 3.1Å; H45-G61 PolarHBondContact NE2-O 2.86Å; H45-Y62 AromaticContact CE1-CD1 3.7Å; H45-Y62 AromaticContact CE1-CE1 3.47Å; H45-Y62 VanDerWaalsContact CE1-CE1 3.47Å; H45-Y62 WeakPolarHBondContact CE1-CE1 3.19Å; H45-Y62 AromaticContact CE1-CZ 3.95Å |
| 46 | V | 97 | Very high | 95 | Very high | 136 Ų | 136 | 64.9 Ų | 64.9 | 82% | 0.824 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -66.7 | -15 | 179.7 | -58.7 | 0 | 0 | 0 | 0 | 113.7 | P44 F48 | P44-V46 HydrophobicContact CB-CG2 4.03Å; P44-V46 HydrophobicContact CG-CG2 3.76Å; P44-V46 PolarHBondContact O-N 2.79Å; V46-F48 PolarHBondContact O-N 3.35Å |
| 47 | A | 97.7 | Very high | 95.4 | Very high | 14 Ų | 14 | 61.9 Ų | 61.9 | 12% | 0.116 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | -75.6 | -8.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L43 P44 H45 V87 D88 | L43-A47 HydrophobicContact CB-CB 3.97Å; L43-A47 HydrophobicContact CD1-CB 4.38Å; P44-A47 HydrophobicContact CG-CB 4.31Å; P44-A47 VanDerWaalsContact O-CB 3.28Å; P44-A47 WeakPolarHBondContact O-CB 3.32Å; P44-A47 PolarHBondContact O-N 2.96Å; H45-A47 PolarHBondContact O-N 3.38Å; A47-V87 CarbonylContact O-C 3.59Å; A47-V87 WeakPolarHBondContact O-CA 3.49Å; A47-D88 WeakPolarHBondContact CB-O 3.46Å; A47-D88 PolarHBondContact O-N 3.14Å |
| 48 | F | 98.2 | Very high | 95.7 | Very high | 13 Ų | 13 | 56.8 Ų | 56.8 | 6% | 0.057 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.1 | -177.5 | -59.5 | -103 | 0 | 0 | 0 | 109.8 | V40 L43 P44 H45 V46 P60 K64 Q86 V87 | V40-F48 HydrophobicContact CB-CZ 4.2Å; L43-F48 HydrophobicContact CB-CE2 3.77Å; L43-F48 HydrophobicContact CB-CZ 4.16Å; L43-F48 HydrophobicContact CD1-CZ 4.32Å; P44-F48 WeakPolarHBondContact O-CD2 3.28Å; P44-F48 WeakPolarHBondContact O-CE2 3.38Å; H45-F48 PolarHBondContact O-N 3.37Å; V46-F48 PolarHBondContact O-N 3.35Å; F48-P60 HydrophobicContact CB-CB 3.95Å; F48-P60 WeakPolarHBondContact CB-O 3.36Å; F48-K64 HydrophobicContact CZ-CG 4.07Å; F48-Q86 WeakPolarHBondContact CA-O 3.38Å; F48-V87 HydrophobicContact CD1-CG1 4.33Å; F48-V87 HydrophobicContact CD1-CG2 3.71Å; F48-V87 HydrophobicContact CE1-CB 4.48Å; F48-V87 HydrophobicContact CE1-CG1 4Å; F48-V87 HydrophobicContact CE1-CG2 3.7Å; F48-V87 HydrophobicContact CZ-CG1 4.26Å |
| 49 | S | 97.8 | Very high | 96 | Very high | 57 Ų | 57 | 54.2 Ų | 54.2 | 40% | 0.399 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 161.7 | 176 | -169 | 0 | 0 | 0 | 0 | 109.8 | Q86 | S49-Q86 PolarHBondContact N-O 2.87Å; S49-Q86 PolarHBondContact O-N 3.18Å |
| 50 | S | 97.9 | Very high | 96.1 | Very high | 20 Ų | 20 | 52 Ų | 52 | 14% | 0.14 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 166.1 | 178.9 | 57.1 | 0 | 0 | 0 | 0 | 112 | S52 P60 W74 W84 | S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact OG-O 2.99Å; S50-P60 WeakPolarHBondContact OG-CG 3.47Å; S50-W74 VanDerWaalsContact CB-NE1 3.27Å; S50-W74 PolarHBondContact OG-NE1 2.92Å; S50-W84 VanDerWaalsContact C-CZ3 3.46Å; S50-W84 CarbonylContact C-O 3.55Å; S50-W84 WeakPolarHBondContact CA-O 3.5Å; S50-W84 WeakPolarHBondContact CB-O 3.24Å; S50-W84 WeakPolarHBondContact O-CH2 3.45Å |
| 51 | S | 97.6 | Very high | 96.3 | Very high | 44 Ų | 44 | 50.3 Ų | 50.3 | 31% | 0.308 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -58.2 | -45 | 170.3 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | Q83 W84 | S51-Q83 WeakPolarHBondContact OG-CA 3.5Å; S51-Q83 PolarHBondContact OG-OE1 3.07Å; S51-W84 PolarHBondContact N-O 3.19Å; S51-W84 PolarHBondContact OG-N 3.19Å; S51-W84 VanDerWaalsContact OG-N 3.11Å |
| 52 | S | 97.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 50.3 Ų | 50.3 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | trans | -159.1 | 174.7 | -176.2 | 66.5 | 0 | 0 | 0 | 0 | 110.6 | S50 W74 P76 S77 Q83 | S50-S52 VanDerWaalsContact C-N 3.31Å; S50-S52 PolarHBondContact OG-O 2.99Å; S52-W74 PolarHBondContact O-NE1 3.39Å; S52-P76 WeakPolarHBondContact OG-CA 3.39Å; S52-P76 WeakPolarHBondContact OG-CB 3.42Å; S52-S77 PolarHBondContact OG-N 3.44Å; S52-Q83 PolarHBondContact OG-OE1 3.13Å | ||
| 53 | S | 97.3 | Very high | 96.8 | Very high | 39 Ų | 39 | 48.2 Ų | 48.2 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | trans | -154 | 137.5 | 171 | 58.7 | 0 | 0 | 0 | 0 | 109.9 | S55 S75 S77 | S53-S55 PolarHBondContact O-N 3.05Å; S53-S75 VanDerWaalsContact CA-O 3.26Å; S53-S75 WeakPolarHBondContact CA-O 3.35Å; S53-S77 VanDerWaalsContact C-OG 3.25Å; S53-S77 PolarHBondContact O-OG 2.66Å; S53-S77 VanDerWaalsContact O-OG 3.08Å | ||
| 54 | I | 95.6 | Very high | 96.7 | Very high | 97 Ų | 97 | 48.7 Ų | 48.7 | 50% | 0.497 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -50.6 | -45.8 | 179.9 | -61.7 | 177.6 | 0 | 0 | 0 | 111.8 | Y58 S75 P76 | I54-Y58 HydrophobicContact CB-CD2 3.85Å; I54-Y58 HydrophobicContact CB-CE2 4.32Å; I54-Y58 HydrophobicContact CB-CG 3.97Å; I54-Y58 HydrophobicContact CD1-CD1 4.23Å; I54-Y58 HydrophobicContact CD1-CE1 4.23Å; I54-Y58 HydrophobicContact CG2-CD2 4.11Å; I54-Y58 HydrophobicContact CG2-CE2 4.13Å; I54-S75 PolarHBondContact N-O 3.45Å; I54-P76 WeakPolarHBondContact CG1-O 3.37Å |
| 55 | S | 96.3 | Very high | 96.5 | Very high | 54 Ų | 54 | 48.1 Ų | 48.1 | 38% | 0.378 | 30% | 0.295 | S | S | . | . | S | Bend | trans | -159 | 178.4 | 172.3 | 77.2 | 0 | 0 | 0 | 0 | 110.2 | S53 S57 Y58 S59 | S53-S55 PolarHBondContact O-N 3.05Å; S55-S57 PolarHBondContact O-N 3.27Å; S55-S57 VanDerWaalsContact O-N 3.14Å; S55-Y58 CarbonylContact O-C 3.53Å; S55-Y58 WeakPolarHBondContact O-CA 3.45Å; S55-Y58 PolarHBondContact O-N 2.85Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.22Å; S55-S59 PolarHBondContact O-N 2.98Å |
| 56 | G | 96.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 50 Ų | 50 | 60% | 0.598 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -55.8 | -32.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114 | Y58 S59 | G56-Y58 PolarHBondContact O-N 3.19Å; G56-S59 WeakPolarHBondContact O-CB 3.16Å; G56-S59 PolarHBondContact O-N 2.83Å; G56-S59 PolarHBondContact O-OG 2.77Å; G56-S59 VanDerWaalsContact O-OG 3.13Å |
| 57 | S | 96.1 | Very high | 96 | Very high | 62 Ų | 62 | 49.5 Ų | 49.5 | 43% | 0.434 | 29% | 0.294 | S | S | . | . | G | 310 helix | trans | -69.7 | -17.2 | 175.9 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | S55 Y62 G70 A71 | S55-S57 PolarHBondContact O-N 3.27Å; S55-S57 VanDerWaalsContact O-N 3.14Å; S57-Y62 VanDerWaalsContact O-CD2 3.32Å; S57-Y62 WeakPolarHBondContact O-CD2 3.17Å; S57-G70 CarbonylContact O-C 3.53Å; S57-G70 WeakPolarHBondContact O-CA 3.18Å; S57-A71 PolarHBondContact O-N 2.7Å |
| 58 | Y | 96 | Very high | 95.8 | Very high | 48 Ų | 48 | 57 Ų | 57 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | G | 310 helix | trans | -103.6 | 16.9 | 175.5 | -62.1 | -96.7 | 0 | 0 | 0 | 112.1 | I54 S55 G56 A71 W74 S75 R103 | I54-Y58 HydrophobicContact CB-CD2 3.85Å; I54-Y58 HydrophobicContact CB-CE2 4.32Å; I54-Y58 HydrophobicContact CB-CG 3.97Å; I54-Y58 HydrophobicContact CD1-CD1 4.23Å; I54-Y58 HydrophobicContact CD1-CE1 4.23Å; I54-Y58 HydrophobicContact CG2-CD2 4.11Å; I54-Y58 HydrophobicContact CG2-CE2 4.13Å; S55-Y58 CarbonylContact O-C 3.53Å; S55-Y58 WeakPolarHBondContact O-CA 3.45Å; S55-Y58 PolarHBondContact O-N 2.85Å; S55-Y58 WeakPolarHBondContact OG-CD2 3.22Å; G56-Y58 PolarHBondContact O-N 3.19Å; Y58-A71 HydrophobicContact CD1-CB 3.78Å; Y58-A71 HydrophobicContact CD2-CB 3.99Å; Y58-A71 HydrophobicContact CE1-CB 3.52Å; Y58-A71 HydrophobicContact CE2-CB 3.71Å; Y58-A71 HydrophobicContact CG-CB 4.01Å; Y58-A71 VanDerWaalsContact CZ-CB 3.46Å; Y58-W74 WeakPolarHBondContact O-CA 3.33Å; Y58-S75 PolarHBondContact O-N 3.11Å; Y58-R103 VanDerWaalsContact CE1-CZ 3.43Å |
| 59 | S | 97.3 | Very high | 95.5 | Very high | 28 Ų | 28 | 58 Ų | 58 | 20% | 0.196 | 33% | 0.333 | C | S | . | . | trans | -59.7 | 152.2 | -177.2 | 65.3 | 0 | 0 | 0 | 0 | 112.6 | S55 G56 G61 Y62 | S55-S59 PolarHBondContact O-N 2.98Å; G56-S59 WeakPolarHBondContact O-CB 3.16Å; G56-S59 PolarHBondContact O-N 2.83Å; G56-S59 PolarHBondContact O-OG 2.77Å; G56-S59 VanDerWaalsContact O-OG 3.13Å; S59-G61 PolarHBondContact O-N 3.08Å; S59-G61 VanDerWaalsContact O-N 3.1Å; S59-Y62 PolarHBondContact O-N 2.97Å; S59-Y62 WeakPolarHBondContact OG-CD2 3.47Å; S59-Y62 VanDerWaalsContact OG-CE2 3.23Å; S59-Y62 WeakPolarHBondContact OG-CE2 3.47Å | ||
| 60 | P | 97.6 | Very high | 95.3 | Very high | 18 Ų | 18 | 57.1 Ų | 57.1 | 12% | 0.117 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -58.9 | -25.6 | -177.5 | 23.5 | -36.1 | 0 | 0 | 0 | 113.8 | F48 S50 Y62 A63 L85 | F48-P60 HydrophobicContact CB-CB 3.95Å; F48-P60 WeakPolarHBondContact CB-O 3.36Å; S50-P60 WeakPolarHBondContact OG-CG 3.47Å; P60-Y62 PolarHBondContact O-N 2.9Å; P60-Y62 VanDerWaalsContact O-N 3.11Å; P60-A63 WeakPolarHBondContact O-CB 3.49Å; P60-A63 PolarHBondContact O-N 2.82Å; P60-L85 HydrophobicContact CB-CD1 3.46Å; P60-L85 VanDerWaalsContact CB-CD1 3.46Å |
| 61 | G | 97.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 57.3 Ų | 57.3 | 3% | 0.031 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -60.5 | -19.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | H45 S59 | H45-G61 PolarHBondContact CD2-O 3.1Å; H45-G61 PolarHBondContact NE2-O 2.86Å; S59-G61 PolarHBondContact O-N 3.08Å; S59-G61 VanDerWaalsContact O-N 3.1Å |
| 62 | Y | 96.2 | Very high | 94.9 | Very high | 67 Ų | 67 | 55.6 Ų | 55.6 | 26% | 0.263 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -86.4 | -0.8 | 175.2 | -62.8 | -62.5 | 0 | 0 | 0 | 114 | H45 S57 S59 P60 K64 G69 | H45-Y62 AromaticContact CE1-CD1 3.7Å; H45-Y62 AromaticContact CE1-CE1 3.47Å; H45-Y62 VanDerWaalsContact CE1-CE1 3.47Å; H45-Y62 WeakPolarHBondContact CE1-CE1 3.19Å; H45-Y62 AromaticContact CE1-CZ 3.95Å; S57-Y62 VanDerWaalsContact O-CD2 3.32Å; S57-Y62 WeakPolarHBondContact O-CD2 3.17Å; S59-Y62 PolarHBondContact O-N 2.97Å; S59-Y62 WeakPolarHBondContact OG-CD2 3.47Å; S59-Y62 VanDerWaalsContact OG-CE2 3.23Å; S59-Y62 WeakPolarHBondContact OG-CE2 3.47Å; P60-Y62 PolarHBondContact O-N 2.9Å; P60-Y62 VanDerWaalsContact O-N 3.11Å; Y62-K64 PolarHBondContact O-N 2.99Å; Y62-G69 WeakPolarHBondContact CD1-O 3.22Å; Y62-G69 VanDerWaalsContact CE1-C 3.5Å |
| 63 | A | 95.3 | Very high | 94.7 | Very high | 32 Ų | 32 | 54.7 Ų | 54.7 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | trans | -75.2 | 30.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 115 | P60 W74 L85 | P60-A63 WeakPolarHBondContact O-CB 3.49Å; P60-A63 PolarHBondContact O-N 2.82Å; A63-W74 HydrophobicContact CB-CB 3.85Å; A63-L85 HydrophobicContact CB-CD1 4.01Å; A63-L85 HydrophobicContact CB-CD2 3.46Å; A63-L85 VanDerWaalsContact CB-CD2 3.46Å; A63-L85 HydrophobicContact CB-CG 4.38Å | ||
| 64 | K | 93.9 | Very high | 94.6 | Very high | 41 Ų | 41 | 55.2 Ų | 55.2 | 18% | 0.178 | 32% | 0.316 | C | S | . | . | trans | -90.9 | 133.7 | 178.1 | -65.4 | 179.3 | -177.3 | -179.2 | 0 | 110.3 | L43 F48 Y62 K67 | L43-K64 VanDerWaalsContact O-CE 3.24Å; L43-K64 WeakPolarHBondContact O-CE 3.46Å; L43-K64 PolarHBondContact O-NZ 3.09Å; F48-K64 HydrophobicContact CZ-CG 4.07Å; Y62-K64 PolarHBondContact O-N 2.99Å; K64-K67 HydrophobicContact CB-CB 4.31Å; K64-K67 HydrophobicContact CB-CG 3.73Å; K64-K67 PolarHBondContact O-N 3.18Å | ||
| 65 | I | 91.8 | Very high | 94.7 | Very high | 65 Ų | 65 | 51.4 Ų | 51.4 | 33% | 0.333 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.9 | 144.5 | 179.3 | -150.4 | 170.9 | 0 | 0 | 0 | 111.3 | K67 A99 Q101 | I65-K67 PolarHBondContact O-N 3.39Å; I65-A99 HydrophobicContact CD1-CB 3.61Å; I65-Q101 HydrophobicContact CD1-CB 4.4Å; I65-Q101 HydrophobicContact CG1-CB 3.91Å |
| 66 | N | 90.9 | Very high | 94.7 | Very high | 127 Ų | 127 | 50.3 Ų | 50.3 | 68% | 0.679 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.9 | 29.4 | 179.3 | -61 | -45.7 | 0 | 0 | 0 | 114.4 | ||
| 67 | K | 91.1 | Very high | 94.7 | Very high | 125 Ų | 125 | 50.7 Ų | 50.7 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | trans | -113.7 | 155.1 | 173.2 | -60 | -58.7 | -179.6 | -177.5 | 0 | 111 | K64 I65 | K64-K67 HydrophobicContact CB-CB 4.31Å; K64-K67 HydrophobicContact CB-CG 3.73Å; K64-K67 PolarHBondContact O-N 3.18Å; I65-K67 PolarHBondContact O-N 3.39Å | ||
| 68 | R | 92.5 | Very high | 94.6 | Very high | 173 Ų | 173 | 52.2 Ų | 52.2 | 65% | 0.653 | 29% | 0.287 | S | S | * | . | trans | -119.8 | 17 | 178.8 | -57 | -175.9 | -176.6 | -176.3 | 0.2 | 112.5 | Y104 | R68-Y104 HydrophobicContact CB-CD1 4.41Å; R68-Y104 HydrophobicContact CG-CD1 4.06Å; R68-Y104 HydrophobicContact CG-CD2 4.06Å; R68-Y104 HydrophobicContact CG-CE1 4.41Å; R68-Y104 HydrophobicContact CG-CE2 4.43Å; R68-Y104 HydrophobicContact CG-CG 3.87Å; R68-Y104 VanDerWaalsContact CZ-CE2 3.44Å; R68-Y104 VanDerWaalsContact CZ-CZ 3.46Å; R68-Y104 VanDerWaalsContact NE-CE2 3.34Å; R68-Y104 PolarHBondContact NH1-OH 3.25Å; R68-Y104 VanDerWaalsContact NH1-OH 3.12Å | ||
| 69 | G | 92.3 | Very high | 94.4 | Very high | 33 Ų | 33 | 56.3 Ų | 56.3 | 34% | 0.34 | 32% | 0.323 | S | S | . | . | trans | -67.2 | 153.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y62 G72 | Y62-G69 WeakPolarHBondContact CD1-O 3.22Å; Y62-G69 VanDerWaalsContact CE1-C 3.5Å; G69-G72 WeakPolarHBondContact O-CA 3.45Å; G69-G72 PolarHBondContact O-N 3.4Å | ||
| 70 | G | 93.4 | Very high | 94.3 | Very high | 39 Ų | 39 | 58.4 Ų | 58.4 | 40% | 0.402 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -137.7 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111 | S57 G72 | S57-G70 CarbonylContact O-C 3.53Å; S57-G70 WeakPolarHBondContact O-CA 3.18Å; G70-G72 PolarHBondContact O-N 3.35Å |
| 71 | A | 93.8 | Very high | 94 | Very high | 24 Ų | 24 | 66.6 Ų | 66.6 | 20% | 0.198 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | 19 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | S57 Y58 R103 | S57-A71 PolarHBondContact O-N 2.7Å; Y58-A71 HydrophobicContact CD1-CB 3.78Å; Y58-A71 HydrophobicContact CD2-CB 3.99Å; Y58-A71 HydrophobicContact CE1-CB 3.52Å; Y58-A71 HydrophobicContact CE2-CB 3.71Å; Y58-A71 HydrophobicContact CG-CB 4.01Å; Y58-A71 VanDerWaalsContact CZ-CB 3.46Å; A71-R103 WeakPolarHBondContact O-CD 3.2Å; A71-R103 WeakPolarHBondContact O-CG 3.23Å; A71-R103 PolarHBondContact O-NH1 2.99Å |
| 72 | G | 93.3 | Very high | 93.9 | Very high | 8 Ų | 8 | 75.5 Ų | 75.5 | 8% | 0.082 | 40% | 0.402 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 8.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | G69 G70 R103 Y104 | G69-G72 WeakPolarHBondContact O-CA 3.45Å; G69-G72 PolarHBondContact O-N 3.4Å; G70-G72 PolarHBondContact O-N 3.35Å; G72-R103 WeakPolarHBondContact O-CG 3.36Å; G72-Y104 PolarHBondContact O-N 2.8Å |
| 73 | G | 94.6 | Very high | 94 | Very high | 8 Ų | 8 | 74.5 Ų | 74.5 | 8% | 0.082 | 40% | 0.4 | C | S | . | . | S | Bend | trans | 155.3 | -178.5 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||
| 74 | W | 95.9 | Very high | 94.1 | Very high | 49 Ų | 49 | 78.4 Ų | 78.4 | 19% | 0.186 | 41% | 0.408 | C | S | . | . | trans | -84.4 | 146.2 | 172.7 | 168.9 | 73 | 0 | 0 | 0 | 111.5 | S50 S52 Y58 A63 P76 W84 L85 | S50-W74 VanDerWaalsContact CB-NE1 3.27Å; S50-W74 PolarHBondContact OG-NE1 2.92Å; S52-W74 PolarHBondContact O-NE1 3.39Å; Y58-W74 WeakPolarHBondContact O-CA 3.33Å; A63-W74 HydrophobicContact CB-CB 3.85Å; W74-P76 HydrophobicContact CH2-CB 4.25Å; W74-P76 HydrophobicContact CH2-CG 4.08Å; W74-P76 HydrophobicContact CZ2-CB 3.79Å; W74-P76 HydrophobicContact CZ2-CG 4.08Å; W74-W84 WeakPolarHBondContact CZ2-O 3.26Å; W74-L85 HydrophobicContact CD2-CB 4.29Å; W74-L85 HydrophobicContact CD2-CD1 4.07Å; W74-L85 HydrophobicContact CE3-CB 3.95Å; W74-L85 HydrophobicContact CE3-CD1 4.39Å; W74-L85 HydrophobicContact CE3-CD2 4.11Å; W74-L85 HydrophobicContact CE3-CG 4.38Å; W74-L85 HydrophobicContact CG-CD1 4.15Å; W74-L85 HydrophobicContact CH2-CB 3.96Å; W74-L85 HydrophobicContact CZ2-CB 4.3Å; W74-L85 HydrophobicContact CZ3-CB 3.79Å | ||
| 75 | S | 96 | Very high | 94.3 | Very high | 17 Ų | 17 | 79.7 Ų | 79.7 | 12% | 0.119 | 42% | 0.416 | C | S | . | . | trans | -148.8 | 128.5 | 167.4 | -57.1 | 0 | 0 | 0 | 0 | 109.8 | S53 I54 Y58 | S53-S75 VanDerWaalsContact CA-O 3.26Å; S53-S75 WeakPolarHBondContact CA-O 3.35Å; I54-S75 PolarHBondContact N-O 3.45Å; Y58-S75 PolarHBondContact O-N 3.11Å | ||
| 76 | P | 96.4 | Very high | 94.5 | Very high | 31 Ų | 31 | 79.1 Ų | 79.1 | 20% | 0.201 | 41% | 0.412 | C | S | . | . | trans | -68.9 | 162.4 | 175.6 | 30.6 | -34.8 | 0 | 0 | 0 | 111.4 | S52 I54 W74 D78 Q83 | S52-P76 WeakPolarHBondContact OG-CA 3.39Å; S52-P76 WeakPolarHBondContact OG-CB 3.42Å; I54-P76 WeakPolarHBondContact CG1-O 3.37Å; W74-P76 HydrophobicContact CH2-CB 4.25Å; W74-P76 HydrophobicContact CH2-CG 4.08Å; W74-P76 HydrophobicContact CZ2-CB 3.79Å; W74-P76 HydrophobicContact CZ2-CG 4.08Å; P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 VanDerWaalsContact CG-O 3.31Å; P76-D78 WeakPolarHBondContact CG-O 3.5Å; P76-Q83 HydrophobicContact CB-CB 3.84Å; P76-Q83 HydrophobicContact CB-CG 3.67Å; P76-Q83 HydrophobicContact CG-CB 3.98Å; P76-Q83 HydrophobicContact CG-CG 3.92Å | ||
| 77 | S | 96.4 | Very high | 94.9 | Very high | 67 Ų | 67 | 75.1 Ų | 75.1 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -70.8 | -31 | 177.6 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | S52 S53 | S52-S77 PolarHBondContact OG-N 3.44Å; S53-S77 VanDerWaalsContact C-OG 3.25Å; S53-S77 PolarHBondContact O-OG 2.66Å; S53-S77 VanDerWaalsContact O-OG 3.08Å |
| 78 | D | 95.3 | Very high | 95.1 | Very high | 94 Ų | 94 | 73.7 Ų | 73.7 | 50% | 0.503 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -115.7 | 155.9 | 179.7 | -57.7 | -61 | 0 | 0 | 0 | 110.9 | P76 Q83 | P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 VanDerWaalsContact CG-O 3.31Å; P76-D78 WeakPolarHBondContact CG-O 3.5Å; D78-Q83 WeakPolarHBondContact O-CG 3.39Å |
| 79 | S | 91.8 | Very high | 95.3 | Very high | 134 Ų | 134 | 67.6 Ų | 67.6 | 94% | 0.937 | 37% | 0.369 | S | S | * | . | trans | -103.3 | 25.4 | -178.8 | -59.9 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 80 | D | 93.8 | Very high | 95.4 | Very high | 72 Ų | 72 | 68.9 Ų | 68.9 | 39% | 0.385 | 38% | 0.382 | S | S | . | . | S | Bend | trans | -85.7 | 178.1 | -179.5 | 72.9 | 23.5 | 0 | 0 | 0 | 113.4 | Y82 Q83 | D80-Y82 VanDerWaalsContact C-N 3.29Å; D80-Y82 HydrophobicContact CB-CD2 4.42Å; D80-Y82 PolarHBondContact O-N 3.42Å; D80-Y82 WeakPolarHBondContact OD1-CA 3.41Å; D80-Y82 WeakPolarHBondContact OD1-CB 3.5Å; D80-Y82 PolarHBondContact OD1-N 3.37Å; D80-Q83 WeakPolarHBondContact OD1-CG 3.33Å; D80-Q83 PolarHBondContact OD1-N 3.16Å; D80-Q83 PolarHBondContact OD1-NE2 3.31Å |
| 81 | H | 92.9 | Very high | 95.4 | Very high | 190 Ų | 190 | 73.1 Ų | 73.1 | 88% | 0.88 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | 1.7 | -179.2 | -58.4 | -55.1 | 0 | 0 | 0 | 114.3 | ||
| 82 | Y | 94.9 | Very high | 95.4 | Very high | 190 Ų | 190 | 82 Ų | 82 | 75% | 0.745 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.3 | -7.5 | -178.2 | -58.7 | -68.3 | 0 | 0 | 0 | 112.7 | D80 | D80-Y82 VanDerWaalsContact C-N 3.29Å; D80-Y82 HydrophobicContact CB-CD2 4.42Å; D80-Y82 PolarHBondContact O-N 3.42Å; D80-Y82 WeakPolarHBondContact OD1-CA 3.41Å; D80-Y82 WeakPolarHBondContact OD1-CB 3.5Å; D80-Y82 PolarHBondContact OD1-N 3.37Å |
| 83 | Q | 97.4 | Very high | 95.4 | Very high | 45 Ų | 45 | 86.6 Ų | 86.6 | 21% | 0.21 | 44% | 0.441 | C | S | . | . | trans | -70.3 | 142.2 | 177.3 | -52.5 | -50.7 | -54.2 | 0 | 0 | 111.9 | S51 S52 P76 D78 D80 | S51-Q83 WeakPolarHBondContact OG-CA 3.5Å; S51-Q83 PolarHBondContact OG-OE1 3.07Å; S52-Q83 PolarHBondContact OG-OE1 3.13Å; P76-Q83 HydrophobicContact CB-CB 3.84Å; P76-Q83 HydrophobicContact CB-CG 3.67Å; P76-Q83 HydrophobicContact CG-CB 3.98Å; P76-Q83 HydrophobicContact CG-CG 3.92Å; D78-Q83 WeakPolarHBondContact O-CG 3.39Å; D80-Q83 WeakPolarHBondContact OD1-CG 3.33Å; D80-Q83 PolarHBondContact OD1-N 3.16Å; D80-Q83 PolarHBondContact OD1-NE2 3.31Å | ||
| 84 | W | 97.3 | Very high | 95.4 | Very high | 114 Ų | 114 | 93.4 Ų | 93.4 | 43% | 0.432 | 47% | 0.471 | S | S | . | . | trans | -140.8 | 151.2 | -178.7 | 58.2 | -96.8 | 0 | 0 | 0 | 111.9 | S50 S51 W74 Q86 | S50-W84 VanDerWaalsContact C-CZ3 3.46Å; S50-W84 CarbonylContact C-O 3.55Å; S50-W84 WeakPolarHBondContact CA-O 3.5Å; S50-W84 WeakPolarHBondContact CB-O 3.24Å; S50-W84 WeakPolarHBondContact O-CH2 3.45Å; S51-W84 PolarHBondContact N-O 3.19Å; S51-W84 PolarHBondContact OG-N 3.19Å; S51-W84 VanDerWaalsContact OG-N 3.11Å; W74-W84 WeakPolarHBondContact CZ2-O 3.26Å; W84-Q86 HydrophobicContact CE3-CB 3.77Å; W84-Q86 HydrophobicContact CZ3-CB 3.54Å | ||
| 85 | L | 97.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 94.5 Ų | 94.5 | 36% | 0.361 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 127.7 | 169.4 | 174.6 | 72.2 | 0 | 0 | 0 | 107.4 | P60 A63 W74 | P60-L85 HydrophobicContact CB-CD1 3.46Å; P60-L85 VanDerWaalsContact CB-CD1 3.46Å; A63-L85 HydrophobicContact CB-CD1 4.01Å; A63-L85 HydrophobicContact CB-CD2 3.46Å; A63-L85 VanDerWaalsContact CB-CD2 3.46Å; A63-L85 HydrophobicContact CB-CG 4.38Å; W74-L85 HydrophobicContact CD2-CB 4.29Å; W74-L85 HydrophobicContact CD2-CD1 4.07Å; W74-L85 HydrophobicContact CE3-CB 3.95Å; W74-L85 HydrophobicContact CE3-CD1 4.39Å; W74-L85 HydrophobicContact CE3-CD2 4.11Å; W74-L85 HydrophobicContact CE3-CG 4.38Å; W74-L85 HydrophobicContact CG-CD1 4.15Å; W74-L85 HydrophobicContact CH2-CB 3.96Å; W74-L85 HydrophobicContact CZ2-CB 4.3Å; W74-L85 HydrophobicContact CZ3-CB 3.79Å |
| 86 | Q | 97.5 | Very high | 95.1 | Very high | 53 Ų | 53 | 97.6 Ų | 97.6 | 25% | 0.248 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 141.3 | -178.9 | 179.3 | -178.7 | -22.8 | 0 | 0 | 110 | F48 S49 W84 W124 | F48-Q86 WeakPolarHBondContact CA-O 3.38Å; S49-Q86 PolarHBondContact N-O 2.87Å; S49-Q86 PolarHBondContact O-N 3.18Å; W84-Q86 HydrophobicContact CE3-CB 3.77Å; W84-Q86 HydrophobicContact CZ3-CB 3.54Å; Q86-W124 HydrophobicContact CG-CH2 3.8Å; Q86-W124 HydrophobicContact CG-CZ2 4.15Å |
| 87 | V | 97.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 100 Ų | 100 | 26% | 0.255 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 124.2 | 170.2 | -171.6 | 0 | 0 | 0 | 0 | 108.8 | V40 L43 A47 F48 F89 | V40-V87 HydrophobicContact CG1-CG1 4.31Å; L43-V87 HydrophobicContact CD1-CG1 3.5Å; L43-V87 VanDerWaalsContact CD1-CG1 3.5Å; A47-V87 CarbonylContact O-C 3.59Å; A47-V87 WeakPolarHBondContact O-CA 3.49Å; F48-V87 HydrophobicContact CD1-CG1 4.33Å; F48-V87 HydrophobicContact CD1-CG2 3.71Å; F48-V87 HydrophobicContact CE1-CB 4.48Å; F48-V87 HydrophobicContact CE1-CG1 4Å; F48-V87 HydrophobicContact CE1-CG2 3.7Å; F48-V87 HydrophobicContact CZ-CG1 4.26Å; V87-F89 HydrophobicContact CB-CZ 4.28Å; V87-F89 HydrophobicContact CG1-CD1 4.32Å; V87-F89 HydrophobicContact CG1-CE1 3.86Å; V87-F89 HydrophobicContact CG1-CE2 4.48Å; V87-F89 HydrophobicContact CG1-CZ 3.95Å |
| 88 | D | 97.1 | Very high | 94.7 | Very high | 95 Ų | 95 | 100.2 Ų | 100.2 | 51% | 0.508 | 52% | 0.519 | S | S | . | . | trans | -96.8 | 117.5 | 171.6 | -173.4 | -1.3 | 0 | 0 | 0 | 110 | A47 G90 | A47-D88 WeakPolarHBondContact CB-O 3.46Å; A47-D88 PolarHBondContact O-N 3.14Å; D88-G90 VanDerWaalsContact C-N 3.33Å; D88-G90 PolarHBondContact OD1-N 3.49Å | ||
| 89 | F | 95.6 | Very high | 94.6 | Very high | 46 Ų | 46 | 99.5 Ų | 99.5 | 20% | 0.202 | 53% | 0.526 | C | S | . | . | trans | -86.5 | -4.4 | 178.7 | -63.1 | -69.9 | 0 | 0 | 0 | 113.2 | L39 V40 L43 V87 N91 K93 I95 | L39-F89 HydrophobicContact CB-CD1 4.18Å; L39-F89 HydrophobicContact CB-CE1 3.61Å; L39-F89 HydrophobicContact CB-CZ 4.33Å; L39-F89 HydrophobicContact CD1-CE1 4.32Å; L39-F89 HydrophobicContact CD1-CZ 4.43Å; V40-F89 HydrophobicContact CG1-CE1 4.18Å; L43-F89 HydrophobicContact CD1-CD1 3.75Å; L43-F89 HydrophobicContact CD1-CE1 3.9Å; V87-F89 HydrophobicContact CB-CZ 4.28Å; V87-F89 HydrophobicContact CG1-CD1 4.32Å; V87-F89 HydrophobicContact CG1-CE1 3.86Å; V87-F89 HydrophobicContact CG1-CE2 4.48Å; V87-F89 HydrophobicContact CG1-CZ 3.95Å; F89-N91 PolarHBondContact O-N 3.1Å; F89-K93 HydrophobicContact CB-CG 3.6Å; F89-K93 HydrophobicContact CD1-CG 4.27Å; F89-K93 HydrophobicContact CD2-CB 4.47Å; F89-K93 HydrophobicContact CD2-CG 4.27Å; F89-K93 HydrophobicContact CG-CB 4.46Å; F89-K93 HydrophobicContact CG-CG 3.8Å; F89-I95 HydrophobicContact CE2-CD1 3.92Å; F89-I95 HydrophobicContact CZ-CD1 4.49Å | ||
| 90 | G | 94.7 | Very high | 94.6 | Very high | 59 Ų | 59 | 96.4 Ų | 96.4 | 61% | 0.608 | 50% | 0.502 | S | S | * | . | S | Bend | trans | 70.1 | -24.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | D88 | D88-G90 VanDerWaalsContact C-N 3.33Å; D88-G90 PolarHBondContact OD1-N 3.49Å |
| 91 | N | 92.8 | Very high | 94.5 | Very high | 129 Ų | 129 | 98.2 Ų | 98.2 | 69% | 0.69 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -139.1 | 158.7 | 174.8 | -65.2 | -76.3 | 0 | 0 | 0 | 109.5 | F89 K93 | F89-N91 PolarHBondContact O-N 3.1Å; N91-K93 PolarHBondContact O-N 3.04Å |
| 92 | R | 94.4 | Very high | 94.5 | Very high | 210 Ų | 210 | 90.7 Ų | 90.7 | 79% | 0.792 | 48% | 0.481 | S | S | * | . | trans | -57.1 | 129.1 | 176.1 | -169 | 175 | -175.9 | -164.8 | -1.8 | 110.7 | D119 | R92-D119 IonicContact NE-OD1 3.87Š| ||
| 93 | K | 94 | Very high | 94.3 | Very high | 105 Ų | 105 | 84 Ų | 84 | 46% | 0.457 | 46% | 0.455 | S | S | . | . | trans | -122.8 | 147.7 | 176.8 | -62.5 | -59.8 | -179.6 | 179.2 | 0 | 110.6 | L39 F89 N91 | L39-K93 HydrophobicContact CD1-CB 4.07Å; L39-K93 HydrophobicContact CD1-CG 4.44Å; F89-K93 HydrophobicContact CB-CG 3.6Å; F89-K93 HydrophobicContact CD1-CG 4.27Å; F89-K93 HydrophobicContact CD2-CB 4.47Å; F89-K93 HydrophobicContact CD2-CG 4.27Å; F89-K93 HydrophobicContact CG-CB 4.46Å; F89-K93 HydrophobicContact CG-CG 3.8Å; N91-K93 PolarHBondContact O-N 3.04Å | ||
| 94 | Q | 93.1 | Very high | 93.8 | Very high | 151 Ų | 151 | 87 Ų | 87 | 71% | 0.706 | 47% | 0.465 | S | S | * | . | trans | -86.4 | 124.1 | 164.8 | -176 | 173.5 | 4.4 | 0 | 0 | 108.3 | ||||
| 95 | I | 92.8 | Very high | 93.2 | Very high | 72 Ų | 72 | 86.9 Ų | 86.9 | 37% | 0.369 | 48% | 0.482 | S | S | . | . | trans | -106.8 | 116.4 | 177.4 | -59.2 | 174.9 | 0 | 0 | 0 | 107.1 | L39 F89 I98 M115 | L39-I95 HydrophobicContact CD1-CG1 4.24Å; F89-I95 HydrophobicContact CE2-CD1 3.92Å; F89-I95 HydrophobicContact CZ-CD1 4.49Å; I95-I98 HydrophobicContact CG2-CG1 4.08Å; I95-M115 HydrophobicContact CD1-CE 3.86Å | ||
| 96 | S | 92.8 | Very high | 92.6 | Very high | 82 Ų | 82 | 85.1 Ų | 85.1 | 57% | 0.573 | 48% | 0.475 | S | S | * | . | trans | -95.2 | -33.3 | 179.5 | 50.4 | 0 | 0 | 0 | 0 | 112.3 | C35 | C35-S96 PolarHBondContact O-OG 3.11Š| ||
| 97 | A | 91.9 | Very high | 92 | Very high | 81 Ų | 81 | 87.4 Ų | 87.4 | 67% | 0.669 | 50% | 0.497 | S | S | * | . | trans | -153.1 | 158.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 98 | I | 93.1 | Very high | 91.2 | Very high | 72 Ų | 72 | 90.4 Ų | 90.4 | 37% | 0.369 | 51% | 0.511 | S | S | . | . | trans | -125.5 | 123.2 | 173.1 | -61.9 | 174.3 | 0 | 0 | 0 | 108 | I95 T100 Y113 M115 | I95-I98 HydrophobicContact CG2-CG1 4.08Å; I98-T100 HydrophobicContact CG2-CG2 4.24Å; I98-Y113 HydrophobicContact CD1-CE2 4.38Å; I98-Y113 HydrophobicContact CG2-CE2 4.46Å; I98-Y113 WeakPolarHBondContact CG2-OH 3.39Å; I98-M115 HydrophobicContact CD1-CE 4.16Å; I98-M115 HydrophobicContact CD1-CG 4.18Å; I98-M115 HydrophobicContact CD1-SD 3.6Å; I98-M115 VanDerWaalsContact CD1-SD 3.6Å | ||
| 99 | A | 92.6 | Very high | 90.7 | Very high | 78 Ų | 78 | 92.6 Ų | 92.6 | 65% | 0.645 | 51% | 0.512 | S | S | * | . | trans | -95.9 | 134.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | I65 | I65-A99 HydrophobicContact CD1-CB 3.61Š| ||
| 100 | T | 92.9 | Very high | 90.4 | Very high | 70 Ų | 70 | 94.6 Ų | 94.6 | 43% | 0.429 | 53% | 0.529 | S | S | . | . | trans | -115.7 | 150.8 | 176.5 | 62.4 | 0 | 0 | 0 | 0 | 110.1 | I98 Y113 | I98-T100 HydrophobicContact CG2-CG2 4.24Å; T100-Y113 HydrophobicContact CG2-CD1 4.2Å; T100-Y113 HydrophobicContact CG2-CE1 3.57Å | ||
| 101 | Q | 91.8 | Very high | 90.2 | Very high | 109 Ų | 109 | 95.9 Ų | 95.9 | 51% | 0.509 | 53% | 0.525 | S | S | . | . | trans | -145.7 | 144.1 | 177.2 | -166.8 | -177 | -0.7 | 0 | 0 | 109.4 | I65 | I65-Q101 HydrophobicContact CD1-CB 4.4Å; I65-Q101 HydrophobicContact CG1-CB 3.91Å | ||
| 102 | G | 91.9 | Very high | 90.3 | Very high | 32 Ų | 32 | 96 Ų | 96 | 33% | 0.33 | 52% | 0.521 | S | S | . | . | P | Polyproline II helix | trans | -71.3 | 170.2 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 103 | R | 91.1 | Very high | 90.3 | Very high | 50 Ų | 50 | 88.6 Ų | 88.6 | 19% | 0.189 | 49% | 0.493 | C | S | . | . | P | Polyproline II helix | trans | -71.8 | 142.5 | 179.1 | -167.3 | 171.8 | 62.1 | 96.9 | -7.2 | 110.7 | Y58 A71 G72 S105 S106 | Y58-R103 VanDerWaalsContact CE1-CZ 3.43Å; A71-R103 WeakPolarHBondContact O-CD 3.2Å; A71-R103 WeakPolarHBondContact O-CG 3.23Å; A71-R103 PolarHBondContact O-NH1 2.99Å; G72-R103 WeakPolarHBondContact O-CG 3.36Å; R103-S105 PolarHBondContact O-N 3.08Å; R103-S106 PolarHBondContact O-N 3.02Å |
| 104 | Y | 86.4 | Confident | 90.4 | Very high | 109 Ų | 109 | 91.7 Ų | 91.7 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | 137.1 | 174.4 | -178.4 | -100.4 | 0 | 0 | 0 | 110.9 | R68 G72 S106 | R68-Y104 HydrophobicContact CB-CD1 4.41Å; R68-Y104 HydrophobicContact CG-CD1 4.06Å; R68-Y104 HydrophobicContact CG-CD2 4.06Å; R68-Y104 HydrophobicContact CG-CE1 4.41Å; R68-Y104 HydrophobicContact CG-CE2 4.43Å; R68-Y104 HydrophobicContact CG-CG 3.87Å; R68-Y104 VanDerWaalsContact CZ-CE2 3.44Å; R68-Y104 VanDerWaalsContact CZ-CZ 3.46Å; R68-Y104 VanDerWaalsContact NE-CE2 3.34Å; R68-Y104 PolarHBondContact NH1-OH 3.25Å; R68-Y104 VanDerWaalsContact NH1-OH 3.12Å; G72-Y104 PolarHBondContact O-N 2.8Å; Y104-S106 VanDerWaalsContact C-N 3.25Å; Y104-S106 PolarHBondContact O-N 3.19Å |
| 105 | S | 84.6 | Confident | 90.5 | Very high | 111 Ų | 111 | 86.1 Ų | 86.1 | 78% | 0.776 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.2 | 26.5 | -179.9 | -166 | 0 | 0 | 0 | 0 | 115 | R103 | R103-S105 PolarHBondContact O-N 3.08Š|
| 106 | S | 85.3 | Confident | 90.7 | Very high | 31 Ų | 31 | 86.9 Ų | 86.9 | 22% | 0.217 | 48% | 0.481 | C | S | . | . | trans | -132.4 | 153.4 | 174.1 | 155.1 | 0 | 0 | 0 | 0 | 110.5 | R103 Y104 D108 | R103-S106 PolarHBondContact O-N 3.02Å; Y104-S106 VanDerWaalsContact C-N 3.25Å; Y104-S106 PolarHBondContact O-N 3.19Å; S106-D108 VanDerWaalsContact C-N 3.32Å; S106-D108 VanDerWaalsContact OG-CB 3.29Å; S106-D108 WeakPolarHBondContact OG-CB 3.32Å; S106-D108 VanDerWaalsContact OG-CG 3.23Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.85Å | ||
| 107 | S | 84.9 | Confident | 90.9 | Very high | 101 Ų | 101 | 88 Ų | 88 | 71% | 0.706 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -94.2 | 10.6 | 172.5 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | W109 | S107-W109 WeakPolarHBondContact O-CZ3 3.13Š|
| 108 | D | 81.9 | Confident | 91.2 | Very high | 106 Ų | 106 | 85.6 Ų | 85.6 | 57% | 0.567 | 45% | 0.452 | S | S | * | . | trans | -91.9 | 127.9 | -179.7 | -49.5 | -51.1 | 0 | 0 | 0 | 109.3 | S106 | S106-D108 VanDerWaalsContact C-N 3.32Å; S106-D108 VanDerWaalsContact OG-CB 3.29Å; S106-D108 WeakPolarHBondContact OG-CB 3.32Å; S106-D108 VanDerWaalsContact OG-CG 3.23Å; S106-D108 PolarHBondContact OG-N 3.37Å; S106-D108 PolarHBondContact OG-OD2 2.85Å | ||
| 109 | W | 85.8 | Confident | 91.3 | Very high | 140 Ų | 140 | 87.9 Ų | 87.9 | 53% | 0.53 | 47% | 0.465 | S | S | . | . | trans | -147 | 150.9 | 174.3 | 61.3 | 78.4 | 0 | 0 | 0 | 111.7 | S107 | S107-W109 WeakPolarHBondContact O-CZ3 3.13Š| ||
| 110 | V | 90.4 | Very high | 91.3 | Very high | 89 Ų | 89 | 88.4 Ų | 88.4 | 54% | 0.539 | 46% | 0.46 | S | S | . | . | trans | -75.4 | 130.4 | 170.4 | 178.1 | 0 | 0 | 0 | 0 | 108.8 | Q112 | V110-Q112 WeakPolarHBondContact CG1-O 3.31Š| ||
| 111 | T | 90.7 | Very high | 91.2 | Very high | 86 Ų | 86 | 87 Ų | 87 | 53% | 0.528 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -96.1 | -29.9 | 179 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | K138 | T111-K138 WeakPolarHBondContact O-CB 2.92Å; T111-K138 PolarHBondContact O-N 3.37Å |
| 112 | Q | 93.4 | Very high | 91.2 | Very high | 131 Ų | 131 | 92.4 Ų | 92.4 | 61% | 0.612 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.4 | 145.9 | 176.9 | -66.8 | -175.6 | -40.5 | 0 | 0 | 110.1 | V110 F136 | V110-Q112 WeakPolarHBondContact CG1-O 3.31Å; Q112-F136 VanDerWaalsContact CA-O 3.27Å; Q112-F136 WeakPolarHBondContact CA-O 3.43Å |
| 113 | Y | 95.2 | Very high | 91.3 | Very high | 54 Ų | 54 | 96.6 Ų | 96.6 | 21% | 0.212 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 158.2 | 174.1 | 68.1 | -82.3 | 0 | 0 | 0 | 111.7 | I98 T100 A135 F136 | I98-Y113 HydrophobicContact CD1-CE2 4.38Å; I98-Y113 HydrophobicContact CG2-CE2 4.46Å; I98-Y113 WeakPolarHBondContact CG2-OH 3.39Å; T100-Y113 HydrophobicContact CG2-CD1 4.2Å; T100-Y113 HydrophobicContact CG2-CE1 3.57Å; Y113-A135 CarbonylContact O-C 3.57Å; Y113-A135 WeakPolarHBondContact O-CA 3.21Å; Y113-F136 HydrophobicContact CD1-CB 3.87Å; Y113-F136 HydrophobicContact CD2-CB 4.3Å; Y113-F136 HydrophobicContact CD2-CD2 4.18Å; Y113-F136 HydrophobicContact CE1-CB 3.39Å; Y113-F136 HydrophobicContact CE1-CG 4.23Å; Y113-F136 HydrophobicContact CE2-CB 3.87Å; Y113-F136 AromaticContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CE2 4.47Å; Y113-F136 AromaticContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CG-CB 4.3Å; Y113-F136 AromaticContact CZ-CG 3.7Å; Y113-F136 PolarHBondContact N-O 2.74Å; Y113-F136 VanDerWaalsContact N-O 3.07Å; Y113-F136 PolarHBondContact O-N 3.45Å |
| 114 | R | 95.9 | Very high | 91.5 | Very high | 170 Ų | 170 | 98.9 Ų | 98.9 | 64% | 0.642 | 50% | 0.499 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -110 | 143.6 | 169.9 | -67.2 | 177.2 | 179.5 | 171.8 | 1.7 | 108.7 | I133 A135 | R114-I133 HydrophobicContact CG-CG2 4.38Å; R114-A135 HydrophobicContact CG-CB 4.39Å |
| 115 | M | 95.8 | Very high | 92 | Very high | 34 Ų | 34 | 99.7 Ų | 99.7 | 17% | 0.167 | 50% | 0.504 | C | S | . | . | trans | -102.3 | 132.9 | 177.1 | -176.7 | -168.7 | 177.6 | 0 | 0 | 109.7 | I95 I98 Y127 F136 | I95-M115 HydrophobicContact CD1-CE 3.86Å; I98-M115 HydrophobicContact CD1-CE 4.16Å; I98-M115 HydrophobicContact CD1-CG 4.18Å; I98-M115 HydrophobicContact CD1-SD 3.6Å; I98-M115 VanDerWaalsContact CD1-SD 3.6Å; M115-Y127 PolarHBondContact O-N 2.93Å; M115-F136 HydrophobicContact CB-CD2 4.44Å; M115-F136 HydrophobicContact CB-CE2 3.83Å | ||
| 116 | L | 97.1 | Very high | 92.6 | Very high | 89 Ų | 89 | 96.2 Ų | 96.2 | 47% | 0.466 | 48% | 0.479 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 152.1 | 164.6 | -73.9 | 69.4 | 0 | 0 | 0 | 108.7 | W124 K125 P126 | L116-W124 HydrophobicContact CB-CB 4.36Å; L116-W124 HydrophobicContact CB-CE3 3.94Å; L116-W124 HydrophobicContact CD2-CB 3.98Å; L116-K125 CarbonylContact C-O 3.5Å; L116-K125 WeakPolarHBondContact CA-O 3.27Å; L116-P126 HydrophobicContact CG-CB 4.47Å |
| 117 | Y | 97 | Very high | 93.1 | Very high | 105 Ų | 105 | 98.9 Ų | 98.9 | 41% | 0.412 | 49% | 0.485 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 153.7 | 177.3 | 64.1 | -83.8 | 0 | 0 | 0 | 111.5 | K125 | Y117-K125 WeakPolarHBondContact CD1-O 3.36Å; Y117-K125 HydrophobicContact CE1-CB 4.06Å; Y117-K125 HydrophobicContact CE2-CB 4.25Å; Y117-K125 HydrophobicContact CE2-CD 4.31Å; Y117-K125 PolarHBondContact N-O 2.88Å; Y117-K125 PolarHBondContact O-N 2.78Å |
| 118 | S | 97.1 | Very high | 93.7 | Very high | 31 Ų | 31 | 98.7 Ų | 98.7 | 22% | 0.217 | 47% | 0.473 | C | S | . | . | trans | -152.4 | 140.4 | 176.6 | -168.2 | 0 | 0 | 0 | 0 | 110.9 | T120 G121 N123 | S118-T120 VanDerWaalsContact C-N 3.34Å; S118-T120 PolarHBondContact OG-N 3.32Å; S118-T120 PolarHBondContact OG-OG1 2.87Å; S118-G121 PolarHBondContact OG-N 2.92Å; S118-N123 WeakPolarHBondContact CB-O 3.18Å; S118-N123 PolarHBondContact OG-O 2.81Å | ||
| 119 | D | 95.4 | Very high | 94.2 | Very high | 119 Ų | 119 | 96.7 Ų | 96.7 | 64% | 0.636 | 46% | 0.46 | S | S | * | . | S | Bend | trans | -86 | -8.5 | 169.9 | -63.5 | -47.5 | 0 | 0 | 0 | 112.4 | R92 | R92-D119 IonicContact NE-OD1 3.87Š|
| 120 | T | 92.9 | Very high | 94.6 | Very high | 90 Ų | 90 | 96.6 Ų | 96.6 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -121.5 | -9 | -173.1 | 60.7 | 0 | 0 | 0 | 0 | 113.9 | S118 R122 N123 | S118-T120 VanDerWaalsContact C-N 3.34Å; S118-T120 PolarHBondContact OG-N 3.32Å; S118-T120 PolarHBondContact OG-OG1 2.87Å; T120-R122 PolarHBondContact O-N 3.46Å; T120-R122 VanDerWaalsContact O-N 3.13Å; T120-R122 PolarHBondContact OG1-N 3.46Å; T120-N123 PolarHBondContact OG1-N 2.82Å |
| 121 | G | 91.1 | Very high | 94.7 | Very high | 40 Ų | 40 | 95.4 Ų | 95.4 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | S | Bend | trans | 69 | -1.7 | -171.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | S118 W124 | S118-G121 PolarHBondContact OG-N 2.92Å; G121-W124 PolarHBondContact O-NE1 3.22Å |
| 122 | R | 90.8 | Very high | 94.9 | Very high | 222 Ų | 222 | 96.7 Ų | 96.7 | 84% | 0.838 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -111 | -47.9 | -178.4 | -61 | -176.6 | -173.8 | -159 | 0.7 | 112.6 | T120 | T120-R122 PolarHBondContact O-N 3.46Å; T120-R122 VanDerWaalsContact O-N 3.13Å; T120-R122 PolarHBondContact OG1-N 3.46Å |
| 123 | N | 94.5 | Very high | 95 | Very high | 121 Ų | 121 | 94.3 Ų | 94.3 | 65% | 0.647 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -97.4 | 98.2 | -179 | -66.1 | -54.4 | 0 | 0 | 0 | 109.7 | S118 T120 | S118-N123 WeakPolarHBondContact CB-O 3.18Å; S118-N123 PolarHBondContact OG-O 2.81Å; T120-N123 PolarHBondContact OG1-N 2.82Å |
| 124 | W | 95.8 | Very high | 95 | Very high | 98 Ų | 98 | 95.8 Ų | 95.8 | 37% | 0.371 | 48% | 0.475 | S | S | . | . | trans | -92.2 | 133.1 | -178.2 | -68.3 | 87.4 | 0 | 0 | 0 | 111.1 | Q86 L116 G121 | Q86-W124 HydrophobicContact CG-CH2 3.8Å; Q86-W124 HydrophobicContact CG-CZ2 4.15Å; L116-W124 HydrophobicContact CB-CB 4.36Å; L116-W124 HydrophobicContact CB-CE3 3.94Å; L116-W124 HydrophobicContact CD2-CB 3.98Å; G121-W124 PolarHBondContact O-NE1 3.22Å | ||
| 125 | K | 97 | Very high | 95 | Very high | 125 Ų | 125 | 89.5 Ų | 89.5 | 54% | 0.543 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 131.3 | 178.6 | -63.9 | 178 | -177.4 | 177.8 | 0 | 109 | L116 Y117 | L116-K125 CarbonylContact C-O 3.5Å; L116-K125 WeakPolarHBondContact CA-O 3.27Å; Y117-K125 WeakPolarHBondContact CD1-O 3.36Å; Y117-K125 HydrophobicContact CE1-CB 4.06Å; Y117-K125 HydrophobicContact CE2-CB 4.25Å; Y117-K125 HydrophobicContact CE2-CD 4.31Å; Y117-K125 PolarHBondContact N-O 2.88Å; Y117-K125 PolarHBondContact O-N 2.78Å |
| 126 | P | 97 | Very high | 94.9 | Very high | 38 Ų | 38 | 89.8 Ų | 89.8 | 25% | 0.247 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.1 | 149.3 | 170.5 | 27.4 | -32.8 | 0 | 0 | 0 | 110.6 | L116 H128 I133 | L116-P126 HydrophobicContact CG-CB 4.47Å; P126-H128 WeakPolarHBondContact CG-NE2 3.32Å; P126-H128 PolarHBondContact O-CD2 3.04Å; P126-I133 HydrophobicContact CB-CD1 4.16Å; P126-I133 HydrophobicContact CB-CG1 4.02Å; P126-I133 HydrophobicContact CB-CG2 4.03Å; P126-I133 HydrophobicContact CG-CD1 4.1Å; P126-I133 HydrophobicContact CG-CG1 4.13Å |
| 127 | Y | 96.5 | Very high | 94.6 | Very high | 87 Ų | 87 | 88 Ų | 88 | 34% | 0.341 | 45% | 0.454 | S | S | . | . | trans | -74.6 | 127.9 | 166.7 | 179.9 | -99.9 | 0 | 0 | 0 | 109.4 | M115 Q129 W134 F136 | M115-Y127 PolarHBondContact O-N 2.93Å; Y127-Q129 HydrophobicContact CE1-CB 4.08Å; Y127-W134 HydrophobicContact CD1-CB 3.84Å; Y127-W134 HydrophobicContact CD1-CG 4.49Å; Y127-W134 HydrophobicContact CE1-CB 4.12Å; Y127-W134 HydrophobicContact CE1-CG 4.4Å; Y127-W134 PolarHBondContact O-N 3.12Å; Y127-W134 VanDerWaalsContact O-N 3.1Å; Y127-F136 AromaticContact CD1-CE2 3.81Å; Y127-F136 HydrophobicContact CD1-CE2 3.81Å; Y127-F136 AromaticContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CE1-CE1 4.49Å; Y127-F136 HydrophobicContact CE1-CE2 4.36Å; Y127-F136 AromaticContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CG-CE2 4.48Å; Y127-F136 HydrophobicContact CG-CZ 4.35Å | ||
| 128 | H | 95.9 | Very high | 93.8 | Very high | 97 Ų | 97 | 87.8 Ų | 87.8 | 45% | 0.449 | 46% | 0.455 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 140.7 | 176.4 | -74.6 | -109.5 | 0 | 0 | 0 | 110.4 | P126 G131 N132 | P126-H128 WeakPolarHBondContact CG-NE2 3.32Å; P126-H128 PolarHBondContact O-CD2 3.04Å; H128-G131 PolarHBondContact ND1-O 3.44Å; H128-G131 VanDerWaalsContact ND1-O 3.09Å; H128-N132 CarbonylContact C-O 3.55Å; H128-N132 WeakPolarHBondContact CA-O 3.4Å |
| 129 | Q | 94.2 | Very high | 92.1 | Very high | 64 Ų | 64 | 97 Ų | 97 | 30% | 0.299 | 49% | 0.494 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.5 | 167.9 | -179.6 | 167.8 | -7.9 | 0 | 0 | 107.9 | Y127 G131 N132 W134 | Y127-Q129 HydrophobicContact CE1-CB 4.08Å; Q129-G131 PolarHBondContact O-N 3.07Å; Q129-N132 PolarHBondContact N-O 3.05Å; Q129-N132 PolarHBondContact O-N 3.24Å; Q129-W134 HydrophobicContact CB-CB 3.85Å; Q129-W134 HydrophobicContact CB-CD2 3.75Å; Q129-W134 HydrophobicContact CB-CE3 3.6Å; Q129-W134 HydrophobicContact CB-CG 3.88Å; Q129-W134 HydrophobicContact CB-CZ3 4.36Å; Q129-W134 HydrophobicContact CG-CD2 4.13Å; Q129-W134 HydrophobicContact CG-CE3 3.84Å; Q129-W134 HydrophobicContact CG-CZ3 4.11Å |
| 130 | D | 93.6 | Very high | 92 | Very high | 139 Ų | 139 | 95.9 Ų | 95.9 | 74% | 0.743 | 49% | 0.487 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.2 | 38.8 | -176.2 | -52.4 | -40 | 0 | 0 | 0 | 113.2 | N132 | D130-N132 PolarHBondContact O-N 2.68Å; D130-N132 PolarHBondContact O-ND2 2.82Å |
| 131 | G | 92.8 | Very high | 91.9 | Very high | 63 Ų | 63 | 96.2 Ų | 96.2 | 65% | 0.649 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -11.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | H128 Q129 | H128-G131 PolarHBondContact ND1-O 3.44Å; H128-G131 VanDerWaalsContact ND1-O 3.09Å; Q129-G131 PolarHBondContact O-N 3.07Å |
| 132 | N | 94.6 | Very high | 91.9 | Very high | 113 Ų | 113 | 99.3 Ų | 99.3 | 60% | 0.604 | 49% | 0.487 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 150.9 | -177 | -64.3 | -57.8 | 0 | 0 | 0 | 112.1 | H128 Q129 D130 W134 | H128-N132 CarbonylContact C-O 3.55Å; H128-N132 WeakPolarHBondContact CA-O 3.4Å; Q129-N132 PolarHBondContact N-O 3.05Å; Q129-N132 PolarHBondContact O-N 3.24Å; D130-N132 PolarHBondContact O-N 2.68Å; D130-N132 PolarHBondContact O-ND2 2.82Å; N132-W134 PolarHBondContact O-N 3.33Å; N132-W134 VanDerWaalsContact O-N 3.08Å |
| 133 | I | 95.1 | Very high | 92 | Very high | 81 Ų | 81 | 92.1 Ų | 92.1 | 42% | 0.415 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 113.2 | 169.5 | -61.7 | 176 | 0 | 0 | 0 | 107.7 | R114 P126 | R114-I133 HydrophobicContact CG-CG2 4.38Å; P126-I133 HydrophobicContact CB-CD1 4.16Å; P126-I133 HydrophobicContact CB-CG1 4.02Å; P126-I133 HydrophobicContact CB-CG2 4.03Å; P126-I133 HydrophobicContact CG-CD1 4.1Å; P126-I133 HydrophobicContact CG-CG1 4.13Å |
| 134 | W | 95.7 | Very high | 91.9 | Very high | 85 Ų | 85 | 90.3 Ų | 90.3 | 32% | 0.322 | 46% | 0.456 | S | S | . | . | trans | -79.5 | 134.8 | -173.1 | -168.7 | -107 | 0 | 0 | 0 | 111.3 | Y127 Q129 N132 F136 | Y127-W134 HydrophobicContact CD1-CB 3.84Å; Y127-W134 HydrophobicContact CD1-CG 4.49Å; Y127-W134 HydrophobicContact CE1-CB 4.12Å; Y127-W134 HydrophobicContact CE1-CG 4.4Å; Y127-W134 PolarHBondContact O-N 3.12Å; Y127-W134 VanDerWaalsContact O-N 3.1Å; Q129-W134 HydrophobicContact CB-CB 3.85Å; Q129-W134 HydrophobicContact CB-CD2 3.75Å; Q129-W134 HydrophobicContact CB-CE3 3.6Å; Q129-W134 HydrophobicContact CB-CG 3.88Å; Q129-W134 HydrophobicContact CB-CZ3 4.36Å; Q129-W134 HydrophobicContact CG-CD2 4.13Å; Q129-W134 HydrophobicContact CG-CE3 3.84Å; Q129-W134 HydrophobicContact CG-CZ3 4.11Å; N132-W134 PolarHBondContact O-N 3.33Å; N132-W134 VanDerWaalsContact O-N 3.08Å; W134-F136 AromaticContact CD1-CD1 3.71Å; W134-F136 AromaticContact CD1-CD2 3.84Å; W134-F136 AromaticContact CD1-CE1 3.66Å; W134-F136 AromaticContact CD1-CE2 3.78Å; W134-F136 AromaticContact CD1-CG 3.8Å; W134-F136 AromaticContact CD1-CZ 3.69Å; W134-F136 AromaticContact NE1-CD1 3.8Å; W134-F136 AromaticContact NE1-CE1 3.96Å | ||
| 135 | A | 94.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 89.8 Ų | 89.8 | 31% | 0.314 | 46% | 0.461 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 112.9 | 169.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | Y113 R114 P137 | Y113-A135 CarbonylContact O-C 3.57Å; Y113-A135 WeakPolarHBondContact O-CA 3.21Å; R114-A135 HydrophobicContact CG-CB 4.39Å; A135-P137 WeakPolarHBondContact O-CD 3.29Å |
| 136 | F | 93.3 | Very high | 91.2 | Very high | 40 Ų | 40 | 87.3 Ų | 87.3 | 18% | 0.175 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.7 | 120.2 | 177.9 | -66.9 | -89.3 | 0 | 0 | 0 | 109.1 | Q112 Y113 M115 Y127 W134 | Q112-F136 VanDerWaalsContact CA-O 3.27Å; Q112-F136 WeakPolarHBondContact CA-O 3.43Å; Y113-F136 HydrophobicContact CD1-CB 3.87Å; Y113-F136 HydrophobicContact CD2-CB 4.3Å; Y113-F136 HydrophobicContact CD2-CD2 4.18Å; Y113-F136 HydrophobicContact CE1-CB 3.39Å; Y113-F136 HydrophobicContact CE1-CG 4.23Å; Y113-F136 HydrophobicContact CE2-CB 3.87Å; Y113-F136 AromaticContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CD2 3.69Å; Y113-F136 HydrophobicContact CE2-CE2 4.47Å; Y113-F136 AromaticContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CE2-CG 3.9Å; Y113-F136 HydrophobicContact CG-CB 4.3Å; Y113-F136 AromaticContact CZ-CG 3.7Å; Y113-F136 PolarHBondContact N-O 2.74Å; Y113-F136 VanDerWaalsContact N-O 3.07Å; Y113-F136 PolarHBondContact O-N 3.45Å; M115-F136 HydrophobicContact CB-CD2 4.44Å; M115-F136 HydrophobicContact CB-CE2 3.83Å; Y127-F136 AromaticContact CD1-CE2 3.81Å; Y127-F136 HydrophobicContact CD1-CE2 3.81Å; Y127-F136 AromaticContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CD1-CZ 3.56Å; Y127-F136 HydrophobicContact CE1-CE1 4.49Å; Y127-F136 HydrophobicContact CE1-CE2 4.36Å; Y127-F136 AromaticContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CE1-CZ 3.68Å; Y127-F136 HydrophobicContact CG-CE2 4.48Å; Y127-F136 HydrophobicContact CG-CZ 4.35Å; W134-F136 AromaticContact CD1-CD1 3.71Å; W134-F136 AromaticContact CD1-CD2 3.84Å; W134-F136 AromaticContact CD1-CE1 3.66Å; W134-F136 AromaticContact CD1-CE2 3.78Å; W134-F136 AromaticContact CD1-CG 3.8Å; W134-F136 AromaticContact CD1-CZ 3.69Å; W134-F136 AromaticContact NE1-CD1 3.8Å; W134-F136 AromaticContact NE1-CE1 3.96Å |
| 137 | P | 91.4 | Very high | 90.8 | Very high | 52 Ų | 52 | 91.1 Ų | 91.1 | 34% | 0.338 | 47% | 0.471 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 157.9 | 169.9 | 32.6 | -34 | 0 | 0 | 0 | 110.4 | A135 H139 | A135-P137 WeakPolarHBondContact O-CD 3.29Å; P137-H139 PolarHBondContact O-N 2.9Å |
| 138 | K | 80.1 | Confident | 90.3 | Very high | 101 Ų | 101 | 91.4 Ų | 91.4 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 129.9 | 162.8 | 179.4 | -169.1 | 172.2 | 83.1 | 0 | 109 | T111 | T111-K138 WeakPolarHBondContact O-CB 2.92Å; T111-K138 PolarHBondContact O-N 3.37Å |
| 139 | H | 62.1 | Low | 89.8 | Confident | 224 Ų | 224 | 90.9 Ų | 90.9 | 100% | 1.037 | 49% | 0.485 | S | S | * | . | trans | -96.7 | 0 | 166.5 | -68.8 | -67.6 | 0 | 0 | 0 | 110.8 | P137 | P137-H139 PolarHBondContact O-N 2.9Š|
Retrieved 139 of 139 residues in 28.2 ms
(Link to these results)