| 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 | 34.9 | Very low | 34.6 | Very low | 243 Ų | 243 | 137.3 Ų | 137.3 | 100% | 1.197 | 81% | 0.811 | S | S | * | * | 0 | 154.2 | 0 | -67.4 | -179.3 | 175.8 | 0 | 0 | 108.3 | |||||
| 2 | A | 34.8 | Very low | 34.4 | Very low | 90 Ų | 90 | 138.9 Ų | 138.9 | 74% | 0.744 | 81% | 0.805 | S | S | * | * | trans | 38.4 | 113.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 3 | T | 37.3 | Very low | 34.1 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | cis | 73.6 | 94.1 | 35.7 | -41.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 4 | V | 37.2 | Very low | 33.9 | Very low | 138 Ų | 138 | 135.1 Ų | 135.1 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -149.8 | 110.9 | 145 | -172.6 | 0 | 0 | 0 | 0 | 104 | ||||
| 5 | T | 37.3 | Very low | 33.7 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 74% | 0.736 | 80% | 0.8 | S | S | * | * | 75.4 | 133.3 | 60.4 | -53.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 6 | A | 39.4 | Very low | 33.6 | Very low | 70 Ų | 70 | 135.8 Ų | 135.8 | 58% | 0.579 | 79% | 0.788 | S | S | * | * | cis | -170 | 169.1 | -28.1 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 7 | N | 31.8 | Very low | 33.4 | Very low | 160 Ų | 160 | 134.4 Ų | 134.4 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | 70.1 | 144.4 | 165.6 | -48.3 | -27.2 | 0 | 0 | 0 | 117.1 | ||||
| 8 | G | 32.4 | Very low | 33.3 | Very low | 70 Ų | 70 | 134.5 Ų | 134.5 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | cis | 109.9 | 145.1 | 2.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 9 | V | 34.1 | Very low | 33.1 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 78% | 0.782 | 79% | 0.788 | S | S | * | * | cis | -147.6 | 163 | 4.9 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 10 | Q | 31.4 | Very low | 33.2 | Very low | 164 Ų | 164 | 134.2 Ų | 134.2 | 77% | 0.766 | 79% | 0.786 | S | S | * | * | trans | -60.4 | 172.2 | 178.9 | -41.8 | 112.5 | -24.4 | 0 | 0 | 115.1 | ||||
| 11 | Q | 30.1 | Very low | 33.3 | Very low | 200 Ų | 200 | 133 Ų | 133 | 94% | 0.935 | 79% | 0.792 | S | S | * | * | -144.6 | 151.6 | 119.7 | -151.2 | 158.5 | 45.4 | 0 | 0 | 112.3 | |||||
| 12 | E | 32.7 | Very low | 33 | Very low | 157 Ų | 157 | 125.3 Ų | 125.3 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | trans | -143.3 | 153.6 | -169.7 | -175.3 | -171.6 | 148.3 | 0 | 0 | 109.2 | ||||
| 13 | N | 29.4 | Very low | 33.4 | Very low | 165 Ų | 165 | 132.9 Ų | 132.9 | 88% | 0.882 | 78% | 0.784 | S | S | * | * | trans | 168.3 | 139.7 | 152.8 | -87.5 | -34 | 0 | 0 | 0 | 110 | ||||
| 14 | G | 31.9 | Very low | 33.3 | Very low | 59 Ų | 59 | 136 Ų | 136 | 61% | 0.608 | 79% | 0.792 | S | S | * | * | cis | 137.8 | 99.2 | -14.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 15 | F | 30.4 | Very low | 33.2 | Very low | 193 Ų | 193 | 137.4 Ų | 137.4 | 85% | 0.846 | 80% | 0.795 | S | S | * | * | trans | 171.6 | 141.6 | 150.4 | -115 | -119.1 | 0 | 0 | 0 | 108.9 | ||||
| 16 | S | 31.7 | Very low | 33.1 | Very low | 88 Ų | 88 | 135 Ų | 135 | 62% | 0.615 | 79% | 0.794 | S | S | * | * | cis | 85.2 | 134.7 | 27.8 | -55.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 17 | T | 30.7 | Very low | 32.7 | Very low | 113 Ų | 113 | 138.9 Ų | 138.9 | 69% | 0.693 | 80% | 0.804 | S | S | * | * | cis | -168.8 | 157.8 | -5.7 | 14.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 18 | T | 32.6 | Very low | 33.1 | Very low | 136 Ų | 136 | 138.4 Ų | 138.4 | 83% | 0.834 | 81% | 0.807 | S | S | * | * | trans | 63 | 152.8 | 160.4 | 53.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 19 | N | 29.5 | Very low | 33.3 | Very low | 156 Ų | 156 | 141.4 Ų | 141.4 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | cis | -152.7 | -178 | 40.3 | -163.9 | 7.5 | 0 | 0 | 0 | 113.1 | ||||
| 20 | S | 34.4 | Very low | 33.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -126.2 | 162 | -161.7 | -64.2 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 21 | A | 34.3 | Very low | 33.5 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 79.2 | 135.8 | 159 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 22 | G | 30.4 | Very low | 33.9 | Very low | 81 Ų | 81 | 136.9 Ų | 136.9 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | 160.8 | 74.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 23 | R | 42.8 | Very low | 34.4 | Very low | 249 Ų | 249 | 134.2 Ų | 134.2 | 94% | 0.94 | 80% | 0.797 | S | S | * | * | trans | -86.8 | 129.5 | 173.6 | -78.6 | -175.8 | 174 | -177.8 | -1.6 | 110.8 | ||||
| 24 | M | 35.6 | Very low | 35.5 | Very low | 191 Ų | 191 | 132.8 Ų | 132.8 | 94% | 0.941 | 79% | 0.788 | S | S | * | * | trans | -154.8 | 166.8 | 145.9 | -116.3 | 175.6 | -171.5 | 0 | 0 | 112.2 | ||||
| 25 | N | 34.1 | Very low | 36.7 | Very low | 167 Ų | 167 | 131.5 Ų | 131.5 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -77 | 144.3 | -162.3 | -73.8 | -26.1 | 0 | 0 | 0 | 114.8 | ||||
| 26 | G | 35.3 | Very low | 38.1 | Very low | 70 Ų | 70 | 130.9 Ų | 130.9 | 72% | 0.722 | 77% | 0.77 | S | S | * | * | 77.9 | 106.5 | 122.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | |||||
| 27 | L | 30.3 | Very low | 39.6 | Very low | 152 Ų | 152 | 130.5 Ų | 130.5 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | -166.7 | 114.2 | 123.5 | -105 | 164.6 | 0 | 0 | 0 | 109.8 | I29 | L27-I29 HydrophobicContact CB-CG1 4.44Å; L27-I29 PolarHBondContact O-N 3.06Å | |||
| 28 | T | 41 | Very low | 41.4 | Very low | 149 Ų | 149 | 129.4 Ų | 129.4 | 91% | 0.914 | 75% | 0.748 | S | S | * | * | trans | -77.8 | 86.7 | 173.8 | 47.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 29 | I | 35.8 | Very low | 42.6 | Very low | 133 Ų | 133 | 130.7 Ų | 130.7 | 68% | 0.682 | 74% | 0.744 | S | S | * | * | trans | -98.8 | 110.9 | 170.6 | -61.1 | 178.8 | 0 | 0 | 0 | 108.2 | L27 Q31 | L27-I29 HydrophobicContact CB-CG1 4.44Å; L27-I29 PolarHBondContact O-N 3.06Å; I29-Q31 PolarHBondContact O-N 3.46Å | ||
| 30 | G | 38.4 | Very low | 44.4 | Very low | 80 Ų | 80 | 127 Ų | 127 | 83% | 0.825 | 72% | 0.724 | S | S | * | * | trans | -70.2 | 87.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | N32 | G30-N32 PolarHBondContact O-N 3.4Å; G30-N32 VanDerWaalsContact O-N 3.07Å | ||
| 31 | Q | 32.7 | Very low | 46.4 | Very low | 167 Ų | 167 | 122.3 Ų | 122.3 | 78% | 0.78 | 69% | 0.692 | S | S | * | * | trans | -73.7 | 101.8 | 177.7 | -136.4 | 177.2 | 9.6 | 0 | 0 | 109.7 | I29 T33 | I29-Q31 PolarHBondContact O-N 3.46Å; Q31-T33 VanDerWaalsContact C-N 3.26Å; Q31-T33 PolarHBondContact O-N 2.84Å | ||
| 32 | N | 37.3 | Very low | 48.7 | Very low | 151 Ų | 151 | 119.1 Ų | 119.1 | 81% | 0.807 | 66% | 0.659 | S | S | * | * | trans | -68.6 | 82.5 | 177.9 | -170.9 | 23.4 | 0 | 0 | 0 | 110 | G30 I34 | G30-N32 PolarHBondContact O-N 3.4Å; G30-N32 VanDerWaalsContact O-N 3.07Å; N32-I34 PolarHBondContact O-N 3.19Å | ||
| 33 | T | 43 | Very low | 51.4 | Low | 102 Ų | 102 | 118 Ų | 118 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | trans | -69.6 | 97.3 | -177.9 | 38.3 | 0 | 0 | 0 | 0 | 109.9 | Q31 P35 | Q31-T33 VanDerWaalsContact C-N 3.26Å; Q31-T33 PolarHBondContact O-N 2.84Å; T33-P35 WeakPolarHBondContact O-CD 3.43Å; T33-P35 VanDerWaalsContact O-N 3.08Å | ||
| 34 | I | 52.7 | Low | 53.8 | Low | 134 Ų | 134 | 106.1 Ų | 106.1 | 69% | 0.687 | 59% | 0.586 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 117.1 | 174.1 | -56.6 | 174.5 | 0 | 0 | 0 | 107.5 | N32 M36 | N32-I34 PolarHBondContact O-N 3.19Å; I34-M36 PolarHBondContact O-N 3.15Å |
| 35 | P | 58.4 | Low | 56.6 | Low | 33 Ų | 33 | 100.4 Ų | 100.4 | 21% | 0.214 | 56% | 0.556 | C | S | . | * | P | Polyproline II helix | trans | -65.6 | 127.3 | -177.7 | 25.4 | -31.9 | 0 | 0 | 0 | 109.2 | T33 K37 K67 Y69 | T33-P35 WeakPolarHBondContact O-CD 3.43Å; T33-P35 VanDerWaalsContact O-N 3.08Å; P35-K37 PolarHBondContact O-N 2.79Å; P35-K67 HydrophobicContact CB-CD 4.13Å; P35-Y69 HydrophobicContact CG-CD2 4.25Å; P35-Y69 VanDerWaalsContact O-CD2 3.22Å; P35-Y69 WeakPolarHBondContact O-CD2 2.96Å; P35-Y69 VanDerWaalsContact O-CE2 3.26Å; P35-Y69 WeakPolarHBondContact O-CE2 3.43Å |
| 36 | M | 59.3 | Low | 59.5 | Low | 179 Ų | 179 | 92.4 Ų | 92.4 | 88% | 0.882 | 51% | 0.514 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 131.1 | 175.2 | -61.6 | -177.1 | 78.1 | 0 | 0 | 109 | I34 | I34-M36 PolarHBondContact O-N 3.15Š|
| 37 | K | 62 | Low | 62.3 | Low | 81 Ų | 81 | 89.2 Ų | 89.2 | 35% | 0.352 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 127 | 175.5 | -175.1 | -178.9 | 172.3 | 179.1 | 0 | 108.6 | P35 A41 Y69 T89 | P35-K37 PolarHBondContact O-N 2.79Å; K37-A41 HydrophobicContact CD-CB 4.21Å; K37-A41 WeakPolarHBondContact CE-O 3.38Å; K37-A41 HydrophobicContact CG-CB 3.66Å; K37-A41 PolarHBondContact NZ-O 3.1Å; K37-Y69 HydrophobicContact CB-CD1 4.35Å; K37-Y69 HydrophobicContact CB-CD2 3.72Å; K37-Y69 HydrophobicContact CB-CE1 4.33Å; K37-Y69 HydrophobicContact CB-CE2 3.71Å; K37-Y69 HydrophobicContact CB-CG 4.05Å; K37-Y69 HydrophobicContact CD-CD1 3.95Å; K37-Y69 HydrophobicContact CD-CE1 4Å; K37-Y69 HydrophobicContact CD-CG 4.37Å; K37-Y69 HydrophobicContact CG-CD1 4.33Å; K37-Y69 HydrophobicContact CG-CD2 4.42Å; K37-Y69 HydrophobicContact CG-CG 4.26Å; K37-T89 HydrophobicContact CD-CG2 4.01Å |
| 38 | D | 69.4 | Low | 65.3 | Low | 89 Ų | 89 | 84.7 Ų | 84.7 | 48% | 0.476 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 150.7 | 172.7 | -169.7 | 5.6 | 0 | 0 | 0 | 111.2 | D40 A41 C91 | D38-D40 PolarHBondContact O-N 2.8Å; D38-A41 HydrophobicContact CB-CB 4.19Å; D38-A41 VanDerWaalsContact O-CB 3.24Å; D38-A41 WeakPolarHBondContact O-CB 3.11Å; D38-A41 PolarHBondContact O-N 3.2Å; D38-A41 VanDerWaalsContact O-N 3.11Å; D38-C91 WeakPolarHBondContact CB-O 3.49Å; D38-C91 PolarHBondContact N-O 3.39Å |
| 39 | H | 58.3 | Low | 67.8 | Low | 164 Ų | 164 | 77.7 Ų | 77.7 | 76% | 0.759 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -25.4 | -175.6 | -139.9 | -89.6 | 0 | 0 | 0 | 112.2 | ||
| 40 | D | 67.7 | Low | 70.4 | Confident | 79 Ų | 79 | 71.6 Ų | 71.6 | 42% | 0.422 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | 10.7 | 177.8 | -162.7 | 17.1 | 0 | 0 | 0 | 113.1 | D38 I42 R93 | D38-D40 PolarHBondContact O-N 2.8Å; D40-I42 PolarHBondContact O-N 2.84Å; D40-R93 WeakPolarHBondContact OD1-CD 3.41Å; D40-R93 IonicContact OD1-CZ 2.78Å; D40-R93 IonicContact OD1-NH1 3.6Å; D40-R93 PolarHBondContact OD1-NH1 2.68Å; D40-R93 WeakPolarHBondContact OD2-CD 3.45Å; D40-R93 IonicContact OD2-CZ 2.6Å; D40-R93 IonicContact OD2-NE 2.64Å; D40-R93 IonicContact OD2-NH1 2.67Å; D40-R93 PolarHBondContact OD2-NH1 2.85Å |
| 41 | A | 76.1 | Confident | 72.8 | Confident | 7 Ų | 7 | 76.2 Ų | 76.2 | 6% | 0.058 | 37% | 0.374 | C | S | . | . | trans | -74.3 | 102.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | K37 D38 Y90 | K37-A41 HydrophobicContact CD-CB 4.21Å; K37-A41 WeakPolarHBondContact CE-O 3.38Å; K37-A41 HydrophobicContact CG-CB 3.66Å; K37-A41 PolarHBondContact NZ-O 3.1Å; D38-A41 HydrophobicContact CB-CB 4.19Å; D38-A41 VanDerWaalsContact O-CB 3.24Å; D38-A41 WeakPolarHBondContact O-CB 3.11Å; D38-A41 PolarHBondContact O-N 3.2Å; D38-A41 VanDerWaalsContact O-N 3.11Å; A41-Y90 WeakPolarHBondContact CB-O 3.36Å | ||
| 42 | I | 81.3 | Confident | 75.5 | Confident | 44 Ų | 44 | 74.3 Ų | 74.3 | 23% | 0.226 | 37% | 0.369 | C | S | . | . | trans | -59.6 | 135.4 | 179.1 | -60.4 | -179.5 | 0 | 0 | 0 | 112 | D40 L44 R93 A96 L97 | D40-I42 PolarHBondContact O-N 2.84Å; I42-L44 HydrophobicContact CG2-CD2 4.03Å; I42-L44 HydrophobicContact CG2-CG 4.49Å; I42-R93 HydrophobicContact CD1-CG 3.77Å; I42-R93 HydrophobicContact CG1-CG 4.13Å; I42-A96 HydrophobicContact CB-CB 4.02Å; I42-A96 HydrophobicContact CG2-CB 4.42Å; I42-L97 HydrophobicContact CD1-CD2 4.5Å | ||
| 43 | K | 89 | Confident | 78 | Confident | 56 Ų | 56 | 68.9 Ų | 68.9 | 24% | 0.243 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 130.2 | 163.9 | -171.5 | 159.9 | -171.2 | 152.4 | 0 | 108.9 | E70 F87 A121 | K43-E70 IonicContact NZ-OE1 2.73Å; K43-E70 PolarHBondContact NZ-OE1 3.18Å; K43-E70 IonicContact NZ-OE2 3.7Å; K43-E70 PolarHBondContact NZ-OE2 3.2Å; K43-F87 VanDerWaalsContact CE-CB 3.4Å; K43-F87 HydrophobicContact CG-CD1 4.48Å; K43-A121 HydrophobicContact CB-CB 4.37Å; K43-A121 HydrophobicContact CG-CB 4.16Å; K43-A121 WeakPolarHBondContact O-CB 3.35Å; K43-A121 PolarHBondContact O-N 2.81Å |
| 44 | L | 92.8 | Very high | 80.3 | Confident | 1 Ų | 1 | 67.4 Ų | 67.4 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 141.3 | 179 | -62 | 170.9 | 0 | 0 | 0 | 110.1 | I42 I46 F87 L88 Y90 A96 A99 V118 K119 | I42-L44 HydrophobicContact CG2-CD2 4.03Å; I42-L44 HydrophobicContact CG2-CG 4.49Å; L44-I46 HydrophobicContact CB-CD1 3.96Å; L44-F87 CarbonylContact O-C 3.56Å; L44-F87 WeakPolarHBondContact O-CA 3.21Å; L44-L88 HydrophobicContact CB-CB 4.44Å; L44-L88 WeakPolarHBondContact CB-O 3.19Å; L44-L88 HydrophobicContact CD1-CD2 4.4Å; L44-L88 PolarHBondContact N-O 2.98Å; L44-L88 PolarHBondContact O-N 2.84Å; L44-Y90 HydrophobicContact CD1-CD2 4.08Å; L44-Y90 HydrophobicContact CD1-CE2 3.84Å; L44-A96 HydrophobicContact CD1-CB 3.94Å; L44-A96 HydrophobicContact CD2-CB 4.31Å; L44-A96 HydrophobicContact CG-CB 4.15Å; L44-A99 HydrophobicContact CD1-CB 4.44Å; L44-V118 HydrophobicContact CB-CG1 4.42Å; L44-V118 HydrophobicContact CD1-CG1 3.83Å; L44-V118 HydrophobicContact CD2-CG1 4.29Å; L44-V118 HydrophobicContact CG-CG1 4.42Å; L44-K119 CarbonylContact C-O 3.53Å; L44-K119 WeakPolarHBondContact CA-O 3.36Å |
| 45 | F | 94.6 | Very high | 82.2 | Confident | 70 Ų | 70 | 64.9 Ų | 64.9 | 31% | 0.307 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 132.1 | 161.2 | 177.2 | -96.4 | 0 | 0 | 0 | 109 | C85 F87 V118 K119 A121 | F45-C85 HydrophobicContact CE1-CB 4.35Å; F45-C85 HydrophobicContact CE2-CB 3.56Å; F45-C85 HydrophobicContact CZ-CB 3.44Å; F45-C85 VanDerWaalsContact CZ-CB 3.44Å; F45-F87 HydrophobicContact CB-CD1 4.28Å; F45-F87 HydrophobicContact CB-CE1 4.12Å; F45-F87 HydrophobicContact CD2-CD1 4.22Å; F45-F87 AromaticContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CZ 4.4Å; F45-F87 HydrophobicContact CG-CE1 4.47Å; F45-V118 WeakPolarHBondContact O-CA 3.05Å; F45-K119 PolarHBondContact N-O 2.99Å; F45-K119 PolarHBondContact O-N 3.24Å; F45-A121 HydrophobicContact CB-CB 4.25Å |
| 46 | I | 94.6 | Very high | 83.8 | Confident | 0 Ų | 0 | 69.7 Ų | 69.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 99 | -179.8 | -46.6 | -60.1 | 0 | 0 | 0 | 107.7 | L44 I49 F62 C85 A86 L88 I116 V118 | L44-I46 HydrophobicContact CB-CD1 3.96Å; I46-I49 HydrophobicContact CB-CD1 4.03Å; I46-I49 HydrophobicContact CG2-CD1 3.61Å; I46-I49 HydrophobicContact CG2-CG1 3.95Å; I46-F62 HydrophobicContact CB-CZ 4.45Å; I46-F62 HydrophobicContact CD1-CE1 3.95Å; I46-F62 HydrophobicContact CD1-CZ 4.1Å; I46-F62 HydrophobicContact CG1-CE1 4.47Å; I46-F62 HydrophobicContact CG1-CZ 4.15Å; I46-F62 HydrophobicContact CG2-CE1 4.33Å; I46-F62 HydrophobicContact CG2-CE2 4.15Å; I46-F62 HydrophobicContact CG2-CZ 3.49Å; I46-F62 VanDerWaalsContact CG2-CZ 3.49Å; I46-C85 CarbonylContact O-C 3.56Å; I46-C85 WeakPolarHBondContact O-CA 3.29Å; I46-C85 WeakPolarHBondContact O-CB 3.19Å; I46-A86 HydrophobicContact CB-CB 4.35Å; I46-A86 WeakPolarHBondContact CB-O 3.38Å; I46-A86 PolarHBondContact N-O 3.2Å; I46-A86 PolarHBondContact O-N 2.84Å; I46-L88 HydrophobicContact CD1-CB 4.04Å; I46-L88 HydrophobicContact CD1-CD2 3.98Å; I46-L88 HydrophobicContact CG1-CB 3.83Å; I46-L88 HydrophobicContact CG1-CD2 4.37Å; I46-I116 HydrophobicContact CG2-CD1 3.67Å; I46-I116 HydrophobicContact CG2-CG1 3.86Å; I46-V118 HydrophobicContact CD1-CB 4.18Å; I46-V118 HydrophobicContact CD1-CG1 3.78Å; I46-V118 HydrophobicContact CD1-CG2 3.81Å |
| 47 | G | 93.4 | Very high | 85.4 | Confident | 3 Ų | 3 | 64.7 Ų | 64.7 | 3% | 0.031 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 168.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | I116 Q117 | G47-I116 WeakPolarHBondContact O-CG1 3.48Å; G47-Q117 PolarHBondContact N-O 3.28Å; G47-Q117 PolarHBondContact O-N 3.15Å |
| 48 | Q | 93.1 | Very high | 86.8 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 27% | 0.266 | 29% | 0.289 | S | S | . | . | S | Bend | trans | 61.4 | 48 | 179.8 | -52.3 | -59.9 | -36.7 | 0 | 0 | 113.7 | G84 M112 R114 P115 Q117 | Q48-G84 PolarHBondContact N-O 3.08Å; Q48-M112 HydrophobicContact CB-CE 3.99Å; Q48-M112 VanDerWaalsContact OE1-CE 3.3Å; Q48-R114 HydrophobicContact CG-CB 4.08Å; Q48-P115 WeakPolarHBondContact CB-O 3.4Å; Q48-P115 WeakPolarHBondContact CG-O 3.49Å; Q48-Q117 HydrophobicContact CG-CG 4.03Å |
| 49 | I | 93.1 | Very high | 87.9 | Confident | 1 Ų | 1 | 60.5 Ų | 60.5 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | trans | -99 | 133.8 | 174.2 | -56.3 | -178.9 | 0 | 0 | 0 | 110.4 | I46 L53 L58 G84 A86 L109 | I46-I49 HydrophobicContact CB-CD1 4.03Å; I46-I49 HydrophobicContact CG2-CD1 3.61Å; I46-I49 HydrophobicContact CG2-CG1 3.95Å; I49-L53 HydrophobicContact CG2-CB 4.34Å; I49-L58 HydrophobicContact CD1-CD1 3.98Å; I49-L58 HydrophobicContact CD1-CD2 4.37Å; I49-L58 HydrophobicContact CG2-CD1 4.05Å; I49-L58 HydrophobicContact CG2-CD2 3.87Å; I49-G84 PolarHBondContact N-O 2.99Å; I49-G84 WeakPolarHBondContact O-CA 3.44Å; I49-A86 HydrophobicContact CD1-CB 3.59Å; I49-L109 HydrophobicContact CG2-CD1 4.46Å | ||
| 50 | P | 90.8 | Very high | 89.6 | Confident | 6 Ų | 6 | 56.8 Ų | 56.8 | 4% | 0.039 | 27% | 0.274 | C | S | . | . | trans | -56.8 | 138.2 | 172.8 | -17.8 | 25.2 | 0 | 0 | 0 | 112.3 | N52 L53 L109 P110 M112 | P50-N52 WeakPolarHBondContact CB-OD1 3.28Å; P50-N52 PolarHBondContact O-N 3.31Å; P50-L53 HydrophobicContact CB-CD1 4.48Å; P50-L53 HydrophobicContact CB-CG 4.17Å; P50-L53 HydrophobicContact CG-CD1 3.91Å; P50-L53 HydrophobicContact CG-CG 4.15Å; P50-L53 PolarHBondContact O-N 3.43Å; P50-L109 HydrophobicContact CG-CB 3.81Å; P50-L109 HydrophobicContact CG-CD1 4.42Å; P50-P110 VanDerWaalsContact CG-O 3.27Å; P50-P110 WeakPolarHBondContact CG-O 3.28Å; P50-M112 HydrophobicContact CB-SD 4.36Å; P50-M112 HydrophobicContact CG-CG 3.82Å; P50-M112 HydrophobicContact CG-SD 4.19Å | ||
| 51 | R | 89.9 | Confident | 90.8 | Very high | 177 Ų | 177 | 54.2 Ų | 54.2 | 67% | 0.668 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -8.6 | -175.5 | -63 | -168.9 | -177.6 | 174.3 | 0.9 | 115.1 | H82 | R51-H82 HydrophobicContact CB-CB 4.07Å; R51-H82 WeakPolarHBondContact CD-O 3.21Å; R51-H82 HydrophobicContact CG-CB 4.48Å; R51-H82 WeakPolarHBondContact CG-O 3.19Å; R51-H82 VanDerWaalsContact O-CB 3.3Å; R51-H82 WeakPolarHBondContact O-CB 3.36Å |
| 52 | N | 88.7 | Confident | 91.6 | Very high | 126 Ų | 126 | 53.9 Ų | 53.9 | 67% | 0.674 | 26% | 0.257 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.6 | -1.9 | -179.9 | 64.9 | -73.1 | 0 | 0 | 0 | 113.9 | P50 | P50-N52 WeakPolarHBondContact CB-OD1 3.28Å; P50-N52 PolarHBondContact O-N 3.31Å |
| 53 | L | 89.9 | Confident | 92.2 | Very high | 38 Ų | 38 | 55.5 Ų | 55.5 | 20% | 0.199 | 26% | 0.263 | C | S | . | . | trans | -91.6 | 145.2 | 171.8 | -61.3 | -173.1 | 0 | 0 | 0 | 110.2 | I49 P50 D57 L58 H82 L109 | I49-L53 HydrophobicContact CG2-CB 4.34Å; P50-L53 HydrophobicContact CB-CD1 4.48Å; P50-L53 HydrophobicContact CB-CG 4.17Å; P50-L53 HydrophobicContact CG-CD1 3.91Å; P50-L53 HydrophobicContact CG-CG 4.15Å; P50-L53 PolarHBondContact O-N 3.43Å; L53-D57 HydrophobicContact CB-CB 4.38Å; L53-D57 HydrophobicContact CD2-CB 4.04Å; L53-L58 HydrophobicContact CB-CD2 4.27Å; L53-L58 HydrophobicContact CB-CG 4.29Å; L53-L58 HydrophobicContact CD1-CD2 3.96Å; L53-H82 PolarHBondContact O-CD2 2.77Å; L53-H82 PolarHBondContact O-NE2 2.91Å; L53-L109 HydrophobicContact CD1-CD1 4.32Å | ||
| 54 | E | 91.4 | Very high | 92.4 | Very high | 70 Ų | 70 | 59.5 Ų | 59.5 | 33% | 0.327 | 28% | 0.283 | S | S | . | . | trans | -121.1 | 178 | 174.3 | -59.7 | -164 | 107.9 | 0 | 0 | 111.4 | K56 D57 L58 K75 | E54-K56 HydrophobicContact CB-CD 4.37Å; E54-K56 HydrophobicContact CB-CG 4.33Å; E54-K56 PolarHBondContact O-N 2.93Å; E54-K56 VanDerWaalsContact O-N 3.14Å; E54-K56 IonicContact OE2-NZ 2.62Å; E54-K56 PolarHBondContact OE2-NZ 2.6Å; E54-D57 PolarHBondContact N-OD2 3.09Å; E54-D57 PolarHBondContact O-N 2.86Å; E54-L58 WeakPolarHBondContact O-CG 3.42Å; E54-L58 PolarHBondContact O-N 2.8Å; E54-K75 IonicContact OE1-NZ 2.69Å; E54-K75 PolarHBondContact OE1-NZ 2.97Å | ||
| 55 | E | 92.3 | Very high | 92.5 | Very high | 81 Ų | 81 | 61.2 Ų | 61.2 | 38% | 0.379 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -53.8 | -36.2 | -178.3 | -65.1 | 156.2 | 177.6 | 0 | 0 | 112 | D57 K59 L71 T72 V73 | E55-D57 VanDerWaalsContact C-N 3.34Å; E55-D57 PolarHBondContact O-N 2.91Å; E55-K59 WeakPolarHBondContact O-CB 3.5Å; E55-K59 PolarHBondContact O-N 2.84Å; E55-L71 HydrophobicContact CB-CG 4.45Å; E55-L71 HydrophobicContact CG-CG 4.35Å; E55-T72 WeakPolarHBondContact OE1-CA 3.08Å; E55-V73 HydrophobicContact CG-CB 3.9Å; E55-V73 HydrophobicContact CG-CG2 3.67Å; E55-V73 PolarHBondContact OE1-N 3.41Å |
| 56 | K | 92.8 | Very high | 92.3 | Very high | 135 Ų | 135 | 58.9 Ų | 58.9 | 59% | 0.587 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62 | -34.3 | 175.5 | 73.6 | -158.3 | 179.1 | -157 | 0 | 114.1 | E54 P60 | E54-K56 HydrophobicContact CB-CD 4.37Å; E54-K56 HydrophobicContact CB-CG 4.33Å; E54-K56 PolarHBondContact O-N 2.93Å; E54-K56 VanDerWaalsContact O-N 3.14Å; E54-K56 IonicContact OE2-NZ 2.62Å; E54-K56 PolarHBondContact OE2-NZ 2.6Å; K56-P60 VanDerWaalsContact O-CD 3.26Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å |
| 57 | D | 92.1 | Very high | 92.3 | Very high | 73 Ų | 73 | 64.6 Ų | 64.6 | 39% | 0.39 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -89.6 | -30.5 | -175.9 | -43.8 | -69.9 | 0 | 0 | 0 | 110.5 | L53 E54 E55 | L53-D57 HydrophobicContact CB-CB 4.38Å; L53-D57 HydrophobicContact CD2-CB 4.04Å; E54-D57 PolarHBondContact N-OD2 3.09Å; E54-D57 PolarHBondContact O-N 2.86Å; E55-D57 VanDerWaalsContact C-N 3.34Å; E55-D57 PolarHBondContact O-N 2.91Å |
| 58 | L | 92.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -81.1 | -33.6 | 177 | -63.8 | 168.2 | 0 | 0 | 0 | 112.4 | I49 L53 E54 L61 F62 L71 V73 | I49-L58 HydrophobicContact CD1-CD1 3.98Å; I49-L58 HydrophobicContact CD1-CD2 4.37Å; I49-L58 HydrophobicContact CG2-CD1 4.05Å; I49-L58 HydrophobicContact CG2-CD2 3.87Å; L53-L58 HydrophobicContact CB-CD2 4.27Å; L53-L58 HydrophobicContact CB-CG 4.29Å; L53-L58 HydrophobicContact CD1-CD2 3.96Å; E54-L58 WeakPolarHBondContact O-CG 3.42Å; E54-L58 PolarHBondContact O-N 2.8Å; L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 2.81Å; L58-L61 VanDerWaalsContact O-N 3.15Å; L58-F62 HydrophobicContact CB-CD2 4.3Å; L58-F62 HydrophobicContact CB-CE2 4.3Å; L58-F62 HydrophobicContact CD2-CE2 4.44Å; L58-F62 VanDerWaalsContact O-CD2 3.23Å; L58-F62 WeakPolarHBondContact O-CD2 3.46Å; L58-F62 PolarHBondContact O-N 3.35Å; L58-L71 HydrophobicContact CB-CD2 4.06Å; L58-V73 HydrophobicContact CD1-CG2 3.62Å |
| 59 | K | 92.9 | Very high | 92 | Very high | 83 Ų | 83 | 67.1 Ų | 67.1 | 36% | 0.361 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -54.8 | -49.3 | -175.4 | -167.6 | -172.8 | -177.2 | -127.9 | 0 | 112.8 | E55 L61 F62 E63 I68 L71 | E55-K59 WeakPolarHBondContact O-CB 3.5Å; E55-K59 PolarHBondContact O-N 2.84Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.42Å; K59-F62 PolarHBondContact O-N 3.07Å; K59-F62 VanDerWaalsContact O-N 3.08Å; K59-E63 VanDerWaalsContact CE-OE1 3.27Å; K59-E63 WeakPolarHBondContact CE-OE1 3.25Å; K59-E63 WeakPolarHBondContact CE-OE2 3.39Å; K59-E63 IonicContact NZ-OE1 3.46Å; K59-E63 PolarHBondContact NZ-OE1 3.29Å; K59-E63 IonicContact NZ-OE2 2.71Å; K59-E63 PolarHBondContact NZ-OE2 3.44Å; K59-E63 VanDerWaalsContact O-CB 3.29Å; K59-E63 WeakPolarHBondContact O-CB 3.41Å; K59-E63 PolarHBondContact O-N 2.97Å; K59-I68 HydrophobicContact CG-CD1 3.79Å; K59-L71 HydrophobicContact CB-CD2 4.01Å |
| 60 | P | 93.8 | Very high | 91.8 | Very high | 86 Ų | 86 | 69.8 Ų | 69.8 | 56% | 0.558 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -61.2 | -34.6 | 179.9 | -23.1 | 35 | 0 | 0 | 0 | 113.5 | K56 F62 | K56-P60 VanDerWaalsContact O-CD 3.26Å; K56-P60 WeakPolarHBondContact O-CD 3.45Å; P60-F62 VanDerWaalsContact C-N 3.27Å; P60-F62 PolarHBondContact O-N 2.9Å |
| 61 | L | 91.8 | Very high | 91.9 | Very high | 25 Ų | 25 | 70.7 Ų | 70.7 | 13% | 0.131 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -66.3 | -27.9 | 177.3 | 171.7 | 65.8 | 0 | 0 | 0 | 112.9 | L58 K59 F65 K107 L109 | L58-L61 WeakPolarHBondContact O-CB 3.43Å; L58-L61 PolarHBondContact O-N 2.81Å; L58-L61 VanDerWaalsContact O-N 3.15Å; K59-L61 VanDerWaalsContact C-N 3.28Å; K59-L61 PolarHBondContact O-N 3.42Å; L61-F65 WeakPolarHBondContact O-CE2 3.33Å; L61-K107 HydrophobicContact CD1-CD 4Å; L61-L109 HydrophobicContact CD2-CD2 3.77Å |
| 62 | F | 93.7 | Very high | 92 | Very high | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -100.1 | -28.9 | -179.1 | -73.1 | -67.2 | 0 | 0 | 0 | 113.2 | I46 L58 K59 P60 E64 F65 I68 L88 Y90 L103 I116 V118 | I46-F62 HydrophobicContact CB-CZ 4.45Å; I46-F62 HydrophobicContact CD1-CE1 3.95Å; I46-F62 HydrophobicContact CD1-CZ 4.1Å; I46-F62 HydrophobicContact CG1-CE1 4.47Å; I46-F62 HydrophobicContact CG1-CZ 4.15Å; I46-F62 HydrophobicContact CG2-CE1 4.33Å; I46-F62 HydrophobicContact CG2-CE2 4.15Å; I46-F62 HydrophobicContact CG2-CZ 3.49Å; I46-F62 VanDerWaalsContact CG2-CZ 3.49Å; L58-F62 HydrophobicContact CB-CD2 4.3Å; L58-F62 HydrophobicContact CB-CE2 4.3Å; L58-F62 HydrophobicContact CD2-CE2 4.44Å; L58-F62 VanDerWaalsContact O-CD2 3.23Å; L58-F62 WeakPolarHBondContact O-CD2 3.46Å; L58-F62 PolarHBondContact O-N 3.35Å; K59-F62 PolarHBondContact O-N 3.07Å; K59-F62 VanDerWaalsContact O-N 3.08Å; P60-F62 VanDerWaalsContact C-N 3.27Å; P60-F62 PolarHBondContact O-N 2.9Å; F62-E64 PolarHBondContact O-N 3.02Å; F62-F65 PolarHBondContact O-N 3.35Å; F62-F65 VanDerWaalsContact O-N 3.11Å; F62-I68 HydrophobicContact CB-CD1 3.72Å; F62-L88 HydrophobicContact CB-CD1 4.35Å; F62-L88 HydrophobicContact CB-CD2 3.79Å; F62-L88 HydrophobicContact CD1-CD2 3.28Å; F62-L88 HydrophobicContact CD2-CD2 4.14Å; F62-L88 HydrophobicContact CE1-CD2 3.85Å; F62-L88 HydrophobicContact CG-CD2 3.47Å; F62-L88 VanDerWaalsContact CG-CD2 3.47Å; F62-Y90 WeakPolarHBondContact CB-OH 3.37Å; F62-Y90 VanDerWaalsContact O-CE1 3.31Å; F62-Y90 WeakPolarHBondContact O-CE1 3.22Å; F62-Y90 PolarHBondContact O-OH 3.05Å; F62-L103 HydrophobicContact CD1-CD1 3.66Å; F62-L103 HydrophobicContact CE1-CD1 3.29Å; F62-L103 HydrophobicContact CZ-CD1 4.2Å; F62-I116 HydrophobicContact CZ-CD1 3.73Å; F62-V118 HydrophobicContact CE1-CG2 4.3Å |
| 63 | E | 94.1 | Very high | 92.2 | Very high | 77 Ų | 77 | 59.3 Ų | 59.3 | 36% | 0.36 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -67.3 | -20.4 | -179 | -161.4 | 151.6 | -139.7 | 0 | 0 | 111.9 | K59 F65 G66 I68 | K59-E63 VanDerWaalsContact CE-OE1 3.27Å; K59-E63 WeakPolarHBondContact CE-OE1 3.25Å; K59-E63 WeakPolarHBondContact CE-OE2 3.39Å; K59-E63 IonicContact NZ-OE1 3.46Å; K59-E63 PolarHBondContact NZ-OE1 3.29Å; K59-E63 IonicContact NZ-OE2 2.71Å; K59-E63 PolarHBondContact NZ-OE2 3.44Å; K59-E63 VanDerWaalsContact O-CB 3.29Å; K59-E63 WeakPolarHBondContact O-CB 3.41Å; K59-E63 PolarHBondContact O-N 2.97Å; E63-F65 PolarHBondContact O-N 2.87Å; E63-G66 PolarHBondContact O-N 2.8Å; E63-G66 VanDerWaalsContact O-N 3.08Å; E63-I68 HydrophobicContact CB-CD1 4Å; E63-I68 HydrophobicContact CB-CG1 4.49Å |
| 64 | E | 93.4 | Very high | 92.2 | Very high | 140 Ų | 140 | 59.5 Ų | 59.5 | 65% | 0.654 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -34 | 167.5 | -172.5 | 176.6 | -177.4 | 0 | 0 | 113.5 | F62 | F62-E64 PolarHBondContact O-N 3.02Š|
| 65 | F | 93.8 | Very high | 92.1 | Very high | 37 Ų | 37 | 60.8 Ų | 60.8 | 16% | 0.162 | 30% | 0.296 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -4.4 | -179.5 | -54.6 | -75.7 | 0 | 0 | 0 | 113.5 | L61 F62 E63 Y90 S95 K98 A99 A102 L103 | L61-F65 WeakPolarHBondContact O-CE2 3.33Å; F62-F65 PolarHBondContact O-N 3.35Å; F62-F65 VanDerWaalsContact O-N 3.11Å; E63-F65 PolarHBondContact O-N 2.87Å; F65-Y90 HydrophobicContact CB-CE1 4.33Å; F65-S95 WeakPolarHBondContact O-CA 3.27Å; F65-S95 WeakPolarHBondContact O-CB 3.34Å; F65-S95 PolarHBondContact O-OG 2.84Å; F65-K98 HydrophobicContact CD1-CB 4.45Å; F65-A99 HydrophobicContact CB-CB 3.83Å; F65-A99 HydrophobicContact CD2-CB 3.99Å; F65-A99 HydrophobicContact CG-CB 3.85Å; F65-A102 HydrophobicContact CD1-CB 4.13Å; F65-A102 HydrophobicContact CE1-CB 3.32Å; F65-A102 HydrophobicContact CZ-CB 3.8Å; F65-L103 HydrophobicContact CD2-CD1 4.18Å; F65-L103 HydrophobicContact CE2-CD1 3.63Å; F65-L103 HydrophobicContact CE2-CD2 4.05Å; F65-L103 HydrophobicContact CE2-CG 3.83Å; F65-L103 HydrophobicContact CZ-CD1 4.3Å; F65-L103 HydrophobicContact CZ-CD2 4.03Å; F65-L103 HydrophobicContact CZ-CG 3.98Å |
| 66 | G | 91.9 | Very high | 91.7 | Very high | 22 Ų | 22 | 58.7 Ų | 58.7 | 23% | 0.227 | 29% | 0.288 | C | S | . | . | S | Bend | trans | 136.2 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E63 I68 Y90 | E63-G66 PolarHBondContact O-N 2.8Å; E63-G66 VanDerWaalsContact O-N 3.08Å; G66-I68 PolarHBondContact O-N 3.26Å; G66-Y90 WeakPolarHBondContact O-CE1 3.35Å |
| 67 | K | 92.6 | Very high | 91.2 | Very high | 119 Ų | 119 | 63.3 Ų | 63.3 | 52% | 0.517 | 30% | 0.301 | S | S | . | . | trans | -64.5 | 124.3 | -171.8 | -162.3 | 174.1 | -171.6 | 179.9 | 0 | 111.4 | P35 C91 | P35-K67 HydrophobicContact CB-CD 4.13Å; K67-C91 HydrophobicContact CB-CB 4.42Å; K67-C91 PolarHBondContact O-N 2.89Å; K67-C91 PolarHBondContact O-SG 3.09Å; K67-C91 VanDerWaalsContact O-SG 3.35Å | ||
| 68 | I | 92.4 | Very high | 90.4 | Very high | 14 Ų | 14 | 68.8 Ų | 68.8 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 133.7 | 177.1 | -62.4 | 174.1 | 0 | 0 | 0 | 109.1 | K59 F62 E63 G66 L71 L88 Y90 | K59-I68 HydrophobicContact CG-CD1 3.79Å; F62-I68 HydrophobicContact CB-CD1 3.72Å; E63-I68 HydrophobicContact CB-CD1 4Å; E63-I68 HydrophobicContact CB-CG1 4.49Å; G66-I68 PolarHBondContact O-N 3.26Å; I68-L71 HydrophobicContact CG2-CB 4.07Å; I68-L88 HydrophobicContact CB-CD1 4.48Å; I68-L88 HydrophobicContact CD1-CD1 4.01Å; I68-L88 HydrophobicContact CG1-CD1 3.98Å; I68-L88 HydrophobicContact CG2-CD1 3.77Å; I68-Y90 HydrophobicContact CG1-CD1 4.21Å; I68-Y90 HydrophobicContact CG1-CE1 3.96Å |
| 69 | Y | 87.9 | Confident | 90.1 | Very high | 99 Ų | 99 | 73 Ų | 73 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | -46.8 | 171.4 | 175.5 | -100 | 0 | 0 | 0 | 111.2 | P35 K37 T89 | P35-Y69 HydrophobicContact CG-CD2 4.25Å; P35-Y69 VanDerWaalsContact O-CD2 3.22Å; P35-Y69 WeakPolarHBondContact O-CD2 2.96Å; P35-Y69 VanDerWaalsContact O-CE2 3.26Å; P35-Y69 WeakPolarHBondContact O-CE2 3.43Å; K37-Y69 HydrophobicContact CB-CD1 4.35Å; K37-Y69 HydrophobicContact CB-CD2 3.72Å; K37-Y69 HydrophobicContact CB-CE1 4.33Å; K37-Y69 HydrophobicContact CB-CE2 3.71Å; K37-Y69 HydrophobicContact CB-CG 4.05Å; K37-Y69 HydrophobicContact CD-CD1 3.95Å; K37-Y69 HydrophobicContact CD-CE1 4Å; K37-Y69 HydrophobicContact CD-CG 4.37Å; K37-Y69 HydrophobicContact CG-CD1 4.33Å; K37-Y69 HydrophobicContact CG-CD2 4.42Å; K37-Y69 HydrophobicContact CG-CG 4.26Å; Y69-T89 WeakPolarHBondContact CB-O 3.27Å; Y69-T89 HydrophobicContact CD1-CG2 4.03Å; Y69-T89 PolarHBondContact N-O 2.73Å |
| 70 | E | 89.9 | Confident | 89.7 | Confident | 58 Ų | 58 | 71.3 Ų | 71.3 | 27% | 0.271 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.1 | 132 | -176 | 175.5 | -165.3 | -137.1 | 0 | 0 | 108.4 | K43 L88 T89 | K43-E70 IonicContact NZ-OE1 2.73Å; K43-E70 PolarHBondContact NZ-OE1 3.18Å; K43-E70 IonicContact NZ-OE2 3.7Å; K43-E70 PolarHBondContact NZ-OE2 3.2Å; E70-L88 CarbonylContact O-C 3.51Å; E70-T89 PolarHBondContact N-O 2.67Å; E70-T89 VanDerWaalsContact N-O 3.11Å; E70-T89 PolarHBondContact O-N 3.19Å; E70-T89 PolarHBondContact OE2-OG1 2.87Å |
| 71 | L | 93.2 | Very high | 89.2 | Confident | 24 Ų | 24 | 72.5 Ų | 72.5 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 121.9 | 168.2 | 170.3 | 59.3 | 0 | 0 | 0 | 106.7 | E55 L58 K59 I68 A86 F87 L88 | E55-L71 HydrophobicContact CB-CG 4.45Å; E55-L71 HydrophobicContact CG-CG 4.35Å; L58-L71 HydrophobicContact CB-CD2 4.06Å; K59-L71 HydrophobicContact CB-CD2 4.01Å; I68-L71 HydrophobicContact CG2-CB 4.07Å; L71-A86 HydrophobicContact CD1-CB 4.06Å; L71-F87 WeakPolarHBondContact CA-O 3.35Å; L71-L88 HydrophobicContact CB-CD1 4.16Å; L71-L88 HydrophobicContact CD1-CB 4.22Å; L71-L88 HydrophobicContact CD1-CD1 4.17Å |
| 72 | T | 92 | Very high | 89.2 | Confident | 56 Ų | 56 | 71.9 Ų | 71.9 | 34% | 0.344 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 115.8 | -175.7 | -49 | 0 | 0 | 0 | 0 | 109.6 | E55 A86 F87 | E55-T72 WeakPolarHBondContact OE1-CA 3.08Å; T72-A86 CarbonylContact O-C 3.48Å; T72-A86 VanDerWaalsContact O-CA 3.29Å; T72-A86 WeakPolarHBondContact O-CA 3.45Å; T72-A86 WeakPolarHBondContact O-CB 3.41Å; T72-F87 PolarHBondContact N-O 3.04Å; T72-F87 PolarHBondContact O-N 3.04Å |
| 73 | V | 92.8 | Very high | 89.1 | Confident | 8 Ų | 8 | 77 Ų | 77 | 5% | 0.048 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 128 | 173.8 | 156 | 0 | 0 | 0 | 0 | 109.4 | E55 L58 K75 H82 A86 | E55-V73 HydrophobicContact CG-CB 3.9Å; E55-V73 HydrophobicContact CG-CG2 3.67Å; E55-V73 PolarHBondContact OE1-N 3.41Å; L58-V73 HydrophobicContact CD1-CG2 3.62Å; V73-K75 HydrophobicContact CG1-CG 3.92Å; V73-K75 PolarHBondContact O-N 3.15Å; V73-K75 VanDerWaalsContact O-N 3.07Å; V73-H82 WeakPolarHBondContact CG1-CD2 3.43Å; V73-H82 WeakPolarHBondContact CG1-NE2 3.4Å; V73-A86 HydrophobicContact CG2-CB 4.1Å |
| 74 | L | 89.9 | Confident | 89 | Confident | 42 Ų | 42 | 74.1 Ų | 74.1 | 22% | 0.22 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 103 | 178.1 | -76 | 77 | 0 | 0 | 0 | 108.9 | K83 C85 A86 F87 | L74-K83 HydrophobicContact CB-CB 4.29Å; L74-K83 HydrophobicContact CB-CD 4.41Å; L74-K83 VanDerWaalsContact O-CB 3.3Å; L74-K83 WeakPolarHBondContact O-CB 3.5Å; L74-K83 WeakPolarHBondContact O-CG 3.38Å; L74-K83 PolarHBondContact O-N 2.85Å; L74-C85 PolarHBondContact N-O 2.87Å; L74-A86 VanDerWaalsContact CD1-C 3.43Å; L74-A86 VanDerWaalsContact CD1-CA 3.49Å; L74-F87 HydrophobicContact CD1-CB 4.43Å; L74-F87 HydrophobicContact CD1-CD2 3.6Å; L74-F87 HydrophobicContact CD1-CE2 4.03Å; L74-F87 HydrophobicContact CD1-CG 4.02Å; L74-F87 HydrophobicContact CD2-CD2 4.38Å; L74-F87 HydrophobicContact CD2-CE2 3.96Å; L74-F87 HydrophobicContact CD2-CZ 4.48Å; L74-F87 HydrophobicContact CG-CD2 4.26Å; L74-F87 HydrophobicContact CG-CE2 4.31Å |
| 75 | K | 89.8 | Confident | 89 | Confident | 98 Ų | 98 | 68.2 Ų | 68.2 | 43% | 0.426 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 153.2 | 169.2 | -60.9 | -174 | 177.6 | 179.4 | 0 | 110.1 | E54 V73 M81 | E54-K75 IonicContact OE1-NZ 2.69Å; E54-K75 PolarHBondContact OE1-NZ 2.97Å; V73-K75 HydrophobicContact CG1-CG 3.92Å; V73-K75 PolarHBondContact O-N 3.15Å; V73-K75 VanDerWaalsContact O-N 3.07Å; K75-M81 CarbonylContact C-O 3.39Å; K75-M81 WeakPolarHBondContact CA-O 3.3Å |
| 76 | D | 83.9 | Confident | 89 | Confident | 37 Ų | 37 | 66.4 Ų | 66.4 | 20% | 0.198 | 33% | 0.329 | C | S | . | . | trans | -70.6 | 136.7 | 169.1 | -169.6 | -90.5 | 0 | 0 | 0 | 111 | F78 T79 G80 M81 K83 | D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 2.9Å; D76-F78 WeakPolarHBondContact OD1-CA 3.39Å; D76-F78 WeakPolarHBondContact OD1-CB 3.46Å; D76-F78 PolarHBondContact OD1-N 2.99Å; D76-T79 WeakPolarHBondContact CB-OG1 3.34Å; D76-T79 PolarHBondContact OD1-N 2.76Å; D76-G80 WeakPolarHBondContact O-CA 3.48Å; D76-G80 PolarHBondContact O-N 3.05Å; D76-M81 PolarHBondContact N-O 3.17Å; D76-K83 IonicContact OD2-NZ 2.67Å; D76-K83 PolarHBondContact OD2-NZ 3.11Å | ||
| 77 | R | 81.1 | Confident | 89.1 | Confident | 232 Ų | 232 | 68.2 Ų | 68.2 | 88% | 0.875 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -24.6 | -175.7 | -171.6 | 174.2 | -179.8 | -178.5 | 0.6 | 113 | ||
| 78 | F | 75.4 | Confident | 89.2 | Confident | 188 Ų | 188 | 62.6 Ų | 62.6 | 83% | 0.825 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.8 | -40.2 | -176.6 | -56.4 | -78.4 | 0 | 0 | 0 | 112 | D76 | D76-F78 VanDerWaalsContact C-N 3.3Å; D76-F78 PolarHBondContact O-N 2.9Å; D76-F78 WeakPolarHBondContact OD1-CA 3.39Å; D76-F78 WeakPolarHBondContact OD1-CB 3.46Å; D76-F78 PolarHBondContact OD1-N 2.99Å |
| 79 | T | 85.9 | Confident | 89.1 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 55% | 0.546 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.1 | -8.8 | -178.8 | 70.4 | 0 | 0 | 0 | 0 | 114.4 | D76 M81 | D76-T79 WeakPolarHBondContact CB-OG1 3.34Å; D76-T79 PolarHBondContact OD1-N 2.76Å; T79-M81 PolarHBondContact O-N 3.04Å; T79-M81 WeakPolarHBondContact OG1-CG 3.46Å; T79-M81 PolarHBondContact OG1-N 3.07Å |
| 80 | G | 83.6 | Confident | 89.4 | Confident | 46 Ų | 46 | 57.2 Ų | 57.2 | 47% | 0.474 | 28% | 0.284 | S | S | . | . | trans | 68.1 | -3.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | D76 | D76-G80 WeakPolarHBondContact O-CA 3.48Å; D76-G80 PolarHBondContact O-N 3.05Å | ||
| 81 | M | 84.3 | Confident | 89.2 | Confident | 111 Ų | 111 | 55.3 Ų | 55.3 | 55% | 0.547 | 28% | 0.277 | S | S | . | . | trans | -75.5 | 139.9 | -171.2 | -64 | -166.4 | 85 | 0 | 0 | 112.8 | K75 D76 T79 K83 | K75-M81 CarbonylContact C-O 3.39Å; K75-M81 WeakPolarHBondContact CA-O 3.3Å; D76-M81 PolarHBondContact N-O 3.17Å; T79-M81 PolarHBondContact O-N 3.04Å; T79-M81 WeakPolarHBondContact OG1-CG 3.46Å; T79-M81 PolarHBondContact OG1-N 3.07Å; M81-K83 PolarHBondContact O-N 2.95Å | ||
| 82 | H | 92.3 | Very high | 89 | Confident | 12 Ų | 12 | 56 Ų | 56 | 6% | 0.056 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.9 | 119.4 | 175.3 | -172.4 | -69 | 0 | 0 | 0 | 111.6 | R51 L53 V73 G84 | R51-H82 HydrophobicContact CB-CB 4.07Å; R51-H82 WeakPolarHBondContact CD-O 3.21Å; R51-H82 HydrophobicContact CG-CB 4.48Å; R51-H82 WeakPolarHBondContact CG-O 3.19Å; R51-H82 VanDerWaalsContact O-CB 3.3Å; R51-H82 WeakPolarHBondContact O-CB 3.36Å; L53-H82 PolarHBondContact O-CD2 2.77Å; L53-H82 PolarHBondContact O-NE2 2.91Å; V73-H82 WeakPolarHBondContact CG1-CD2 3.43Å; V73-H82 WeakPolarHBondContact CG1-NE2 3.4Å; H82-G84 WeakPolarHBondContact ND1-CA 3.45Å; H82-G84 PolarHBondContact ND1-N 3.22Å; H82-G84 PolarHBondContact O-N 2.94Å |
| 83 | K | 90.1 | Very high | 88.8 | Confident | 109 Ų | 109 | 58.8 Ų | 58.8 | 47% | 0.474 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | -10.8 | -176.2 | -69.7 | -169.9 | 177.1 | -66.7 | 0 | 114.6 | L74 D76 M81 | L74-K83 HydrophobicContact CB-CB 4.29Å; L74-K83 HydrophobicContact CB-CD 4.41Å; L74-K83 VanDerWaalsContact O-CB 3.3Å; L74-K83 WeakPolarHBondContact O-CB 3.5Å; L74-K83 WeakPolarHBondContact O-CG 3.38Å; L74-K83 PolarHBondContact O-N 2.85Å; D76-K83 IonicContact OD2-NZ 2.67Å; D76-K83 PolarHBondContact OD2-NZ 3.11Å; M81-K83 PolarHBondContact O-N 2.95Å |
| 84 | G | 91.9 | Very high | 88.6 | Confident | 16 Ų | 16 | 64 Ų | 64 | 17% | 0.165 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 98.7 | 16 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q48 I49 H82 | Q48-G84 PolarHBondContact N-O 3.08Å; I49-G84 PolarHBondContact N-O 2.99Å; I49-G84 WeakPolarHBondContact O-CA 3.44Å; H82-G84 WeakPolarHBondContact ND1-CA 3.45Å; H82-G84 PolarHBondContact ND1-N 3.22Å; H82-G84 PolarHBondContact O-N 2.94Å |
| 85 | C | 93.6 | Very high | 88.8 | Confident | 15 Ų | 15 | 63 Ų | 63 | 10% | 0.101 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 161.3 | -176.3 | 52.2 | 0 | 0 | 0 | 0 | 112.7 | F45 I46 L74 | F45-C85 HydrophobicContact CE1-CB 4.35Å; F45-C85 HydrophobicContact CE2-CB 3.56Å; F45-C85 HydrophobicContact CZ-CB 3.44Å; F45-C85 VanDerWaalsContact CZ-CB 3.44Å; I46-C85 CarbonylContact O-C 3.56Å; I46-C85 WeakPolarHBondContact O-CA 3.29Å; I46-C85 WeakPolarHBondContact O-CB 3.19Å; L74-C85 PolarHBondContact N-O 2.87Å |
| 86 | A | 94.5 | Very high | 88.9 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 161.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | I46 I49 L71 T72 V73 L74 | I46-A86 HydrophobicContact CB-CB 4.35Å; I46-A86 WeakPolarHBondContact CB-O 3.38Å; I46-A86 PolarHBondContact N-O 3.2Å; I46-A86 PolarHBondContact O-N 2.84Å; I49-A86 HydrophobicContact CD1-CB 3.59Å; L71-A86 HydrophobicContact CD1-CB 4.06Å; T72-A86 CarbonylContact O-C 3.48Å; T72-A86 VanDerWaalsContact O-CA 3.29Å; T72-A86 WeakPolarHBondContact O-CA 3.45Å; T72-A86 WeakPolarHBondContact O-CB 3.41Å; V73-A86 HydrophobicContact CG2-CB 4.1Å; L74-A86 VanDerWaalsContact CD1-C 3.43Å; L74-A86 VanDerWaalsContact CD1-CA 3.49Å |
| 87 | F | 94.5 | Very high | 89.3 | Confident | 60 Ų | 60 | 60 Ų | 60 | 26% | 0.263 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 142 | 160.4 | -74.8 | -57.9 | 0 | 0 | 0 | 109.9 | K43 L44 F45 L71 T72 L74 A121 | K43-F87 VanDerWaalsContact CE-CB 3.4Å; K43-F87 HydrophobicContact CG-CD1 4.48Å; L44-F87 CarbonylContact O-C 3.56Å; L44-F87 WeakPolarHBondContact O-CA 3.21Å; F45-F87 HydrophobicContact CB-CD1 4.28Å; F45-F87 HydrophobicContact CB-CE1 4.12Å; F45-F87 HydrophobicContact CD2-CD1 4.22Å; F45-F87 AromaticContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CE1 3.81Å; F45-F87 HydrophobicContact CD2-CZ 4.4Å; F45-F87 HydrophobicContact CG-CE1 4.47Å; L71-F87 WeakPolarHBondContact CA-O 3.35Å; T72-F87 PolarHBondContact N-O 3.04Å; T72-F87 PolarHBondContact O-N 3.04Å; L74-F87 HydrophobicContact CD1-CB 4.43Å; L74-F87 HydrophobicContact CD1-CD2 3.6Å; L74-F87 HydrophobicContact CD1-CE2 4.03Å; L74-F87 HydrophobicContact CD1-CG 4.02Å; L74-F87 HydrophobicContact CD2-CD2 4.38Å; L74-F87 HydrophobicContact CD2-CE2 3.96Å; L74-F87 HydrophobicContact CD2-CZ 4.48Å; L74-F87 HydrophobicContact CG-CD2 4.26Å; L74-F87 HydrophobicContact CG-CE2 4.31Å; F87-A121 HydrophobicContact CD1-CB 3.9Å; F87-A121 HydrophobicContact CE1-CB 3.67Å |
| 88 | L | 94.1 | Very high | 90 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 124.6 | -178.2 | 172 | 64.5 | 0 | 0 | 0 | 110.1 | L44 I46 F62 I68 E70 L71 Y90 | L44-L88 HydrophobicContact CB-CB 4.44Å; L44-L88 WeakPolarHBondContact CB-O 3.19Å; L44-L88 HydrophobicContact CD1-CD2 4.4Å; L44-L88 PolarHBondContact N-O 2.98Å; L44-L88 PolarHBondContact O-N 2.84Å; I46-L88 HydrophobicContact CD1-CB 4.04Å; I46-L88 HydrophobicContact CD1-CD2 3.98Å; I46-L88 HydrophobicContact CG1-CB 3.83Å; I46-L88 HydrophobicContact CG1-CD2 4.37Å; F62-L88 HydrophobicContact CB-CD1 4.35Å; F62-L88 HydrophobicContact CB-CD2 3.79Å; F62-L88 HydrophobicContact CD1-CD2 3.28Å; F62-L88 HydrophobicContact CD2-CD2 4.14Å; F62-L88 HydrophobicContact CE1-CD2 3.85Å; F62-L88 HydrophobicContact CG-CD2 3.47Å; F62-L88 VanDerWaalsContact CG-CD2 3.47Å; I68-L88 HydrophobicContact CB-CD1 4.48Å; I68-L88 HydrophobicContact CD1-CD1 4.01Å; I68-L88 HydrophobicContact CG1-CD1 3.98Å; I68-L88 HydrophobicContact CG2-CD1 3.77Å; E70-L88 CarbonylContact O-C 3.51Å; L71-L88 HydrophobicContact CB-CD1 4.16Å; L71-L88 HydrophobicContact CD1-CB 4.22Å; L71-L88 HydrophobicContact CD1-CD1 4.17Å; L88-Y90 HydrophobicContact CD2-CD2 4.36Å; L88-Y90 HydrophobicContact CD2-CE2 3.52Å; L88-Y90 HydrophobicContact CG-CD2 4.29Å; L88-Y90 HydrophobicContact CG-CE2 3.92Å |
| 89 | T | 90.9 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 119.6 | 173.5 | -51.5 | 0 | 0 | 0 | 0 | 108 | K37 Y69 E70 | K37-T89 HydrophobicContact CD-CG2 4.01Å; Y69-T89 WeakPolarHBondContact CB-O 3.27Å; Y69-T89 HydrophobicContact CD1-CG2 4.03Å; Y69-T89 PolarHBondContact N-O 2.73Å; E70-T89 PolarHBondContact N-O 2.67Å; E70-T89 VanDerWaalsContact N-O 3.11Å; E70-T89 PolarHBondContact O-N 3.19Å; E70-T89 PolarHBondContact OE2-OG1 2.87Å |
| 90 | Y | 92.8 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 161.3 | 169.4 | -74.4 | -81.6 | 0 | 0 | 0 | 110.9 | A41 L44 F62 F65 G66 I68 L88 A92 A96 A99 | A41-Y90 WeakPolarHBondContact CB-O 3.36Å; L44-Y90 HydrophobicContact CD1-CD2 4.08Å; L44-Y90 HydrophobicContact CD1-CE2 3.84Å; F62-Y90 WeakPolarHBondContact CB-OH 3.37Å; F62-Y90 VanDerWaalsContact O-CE1 3.31Å; F62-Y90 WeakPolarHBondContact O-CE1 3.22Å; F62-Y90 PolarHBondContact O-OH 3.05Å; F65-Y90 HydrophobicContact CB-CE1 4.33Å; G66-Y90 WeakPolarHBondContact O-CE1 3.35Å; I68-Y90 HydrophobicContact CG1-CD1 4.21Å; I68-Y90 HydrophobicContact CG1-CE1 3.96Å; L88-Y90 HydrophobicContact CD2-CD2 4.36Å; L88-Y90 HydrophobicContact CD2-CE2 3.52Å; L88-Y90 HydrophobicContact CG-CD2 4.29Å; L88-Y90 HydrophobicContact CG-CE2 3.92Å; Y90-A92 VanDerWaalsContact C-N 3.26Å; Y90-A92 WeakPolarHBondContact CB-O 3.44Å; Y90-A92 PolarHBondContact O-N 2.88Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; Y90-A99 HydrophobicContact CE2-CB 3.56Å; Y90-A99 VanDerWaalsContact OH-CB 3.29Å; Y90-A99 WeakPolarHBondContact OH-CB 3.27Å |
| 91 | C | 86.9 | Confident | 91.8 | Very high | 18 Ų | 18 | 46 Ų | 46 | 12% | 0.122 | 24% | 0.237 | C | C | . | . | S | Bend | trans | -68.7 | -26.4 | 173.4 | -59.7 | 0 | 0 | 0 | 0 | 112.9 | D38 K67 | D38-C91 WeakPolarHBondContact CB-O 3.49Å; D38-C91 PolarHBondContact N-O 3.39Å; K67-C91 HydrophobicContact CB-CB 4.42Å; K67-C91 PolarHBondContact O-N 2.89Å; K67-C91 PolarHBondContact O-SG 3.09Å; K67-C91 VanDerWaalsContact O-SG 3.35Å |
| 92 | A | 88.1 | Confident | 92.2 | Very high | 40 Ų | 40 | 43 Ų | 43 | 33% | 0.331 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -133.8 | 148.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | Y90 E94 S95 | Y90-A92 VanDerWaalsContact C-N 3.26Å; Y90-A92 WeakPolarHBondContact CB-O 3.44Å; Y90-A92 PolarHBondContact O-N 2.88Å; A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 3.19Å; A92-S95 PolarHBondContact O-N 2.9Å |
| 93 | R | 87.5 | Confident | 92.3 | Very high | 113 Ų | 113 | 42.5 Ų | 42.5 | 43% | 0.426 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.5 | -40.9 | -179.8 | 178.1 | 166.7 | 172.6 | -176.6 | 1.2 | 113.8 | D40 I42 S95 A96 L97 | D40-R93 WeakPolarHBondContact OD1-CD 3.41Å; D40-R93 IonicContact OD1-CZ 2.78Å; D40-R93 IonicContact OD1-NH1 3.6Å; D40-R93 PolarHBondContact OD1-NH1 2.68Å; D40-R93 WeakPolarHBondContact OD2-CD 3.45Å; D40-R93 IonicContact OD2-CZ 2.6Å; D40-R93 IonicContact OD2-NE 2.64Å; D40-R93 IonicContact OD2-NH1 2.67Å; D40-R93 PolarHBondContact OD2-NH1 2.85Å; I42-R93 HydrophobicContact CD1-CG 3.77Å; I42-R93 HydrophobicContact CG1-CG 4.13Å; R93-S95 VanDerWaalsContact C-N 3.3Å; R93-S95 PolarHBondContact O-N 3.15Å; R93-A96 WeakPolarHBondContact O-CB 3.43Å; R93-A96 PolarHBondContact O-N 2.86Å; R93-L97 HydrophobicContact CG-CD1 4.1Å; R93-L97 HydrophobicContact CG-CG 4.36Å; R93-L97 PolarHBondContact O-N 2.76Å; R93-L97 VanDerWaalsContact O-N 3.09Å |
| 94 | E | 89.9 | Confident | 92.5 | Very high | 119 Ų | 119 | 39.3 Ų | 39.3 | 56% | 0.556 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -64.5 | -35.5 | -172.9 | -154.7 | -167.8 | 135.6 | 0 | 0 | 112.2 | A92 A96 L97 K98 | A92-E94 VanDerWaalsContact C-N 3.34Å; A92-E94 PolarHBondContact O-N 3.19Å; E94-A96 VanDerWaalsContact C-N 3.35Å; E94-L97 PolarHBondContact O-N 3.44Å; E94-K98 HydrophobicContact CG-CD 4.5Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.19Å; E94-K98 WeakPolarHBondContact OE1-CE 3.44Å; E94-K98 IonicContact OE1-NZ 2.6Å; E94-K98 PolarHBondContact OE1-NZ 2.91Å |
| 95 | S | 94.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 43.1 Ų | 43.1 | 13% | 0.133 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -38.5 | 172 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | F65 A92 R93 K98 A99 | F65-S95 WeakPolarHBondContact O-CA 3.27Å; F65-S95 WeakPolarHBondContact O-CB 3.34Å; F65-S95 PolarHBondContact O-OG 2.84Å; A92-S95 PolarHBondContact O-N 2.9Å; R93-S95 VanDerWaalsContact C-N 3.3Å; R93-S95 PolarHBondContact O-N 3.15Å; S95-K98 PolarHBondContact O-N 3.02Å; S95-A99 VanDerWaalsContact O-CB 3.3Å; S95-A99 WeakPolarHBondContact O-CB 3.14Å; S95-A99 PolarHBondContact O-N 3.27Å |
| 96 | A | 91.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | I42 L44 Y90 R93 E94 Q100 | I42-A96 HydrophobicContact CB-CB 4.02Å; I42-A96 HydrophobicContact CG2-CB 4.42Å; L44-A96 HydrophobicContact CD1-CB 3.94Å; L44-A96 HydrophobicContact CD2-CB 4.31Å; L44-A96 HydrophobicContact CG-CB 4.15Å; Y90-A96 HydrophobicContact CD2-CB 3.85Å; R93-A96 WeakPolarHBondContact O-CB 3.43Å; R93-A96 PolarHBondContact O-N 2.86Å; E94-A96 VanDerWaalsContact C-N 3.35Å; A96-Q100 WeakPolarHBondContact O-CB 3.24Å; A96-Q100 PolarHBondContact O-N 2.93Å |
| 97 | L | 92 | Very high | 92.1 | Very high | 73 Ų | 73 | 53.3 Ų | 53.3 | 38% | 0.382 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.1 | -40.2 | 175.6 | -63.8 | 175 | 0 | 0 | 0 | 112.2 | I42 R93 E94 Q100 S101 | I42-L97 HydrophobicContact CD1-CD2 4.5Å; R93-L97 HydrophobicContact CG-CD1 4.1Å; R93-L97 HydrophobicContact CG-CG 4.36Å; R93-L97 PolarHBondContact O-N 2.76Å; R93-L97 VanDerWaalsContact O-N 3.09Å; E94-L97 PolarHBondContact O-N 3.44Å; L97-Q100 PolarHBondContact O-N 3.42Å; L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 2.97Å; L97-S101 VanDerWaalsContact O-OG 3.11Å |
| 98 | K | 94.9 | Very high | 91.9 | Very high | 107 Ų | 107 | 54.1 Ų | 54.1 | 47% | 0.465 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -62 | -48.7 | 174 | -77 | 165.6 | 170.5 | 169 | 0 | 111.5 | F65 E94 S95 Q100 S101 A102 | F65-K98 HydrophobicContact CD1-CB 4.45Å; E94-K98 HydrophobicContact CG-CD 4.5Å; E94-K98 WeakPolarHBondContact O-CB 3.3Å; E94-K98 WeakPolarHBondContact O-CG 3.34Å; E94-K98 PolarHBondContact O-N 3.19Å; E94-K98 WeakPolarHBondContact OE1-CE 3.44Å; E94-K98 IonicContact OE1-NZ 2.6Å; E94-K98 PolarHBondContact OE1-NZ 2.91Å; S95-K98 PolarHBondContact O-N 3.02Å; K98-Q100 VanDerWaalsContact C-N 3.34Å; K98-Q100 PolarHBondContact O-N 3.34Å; K98-S101 PolarHBondContact O-N 3.36Å; K98-A102 VanDerWaalsContact O-CB 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.31Å; K98-A102 PolarHBondContact O-N 2.88Å |
| 99 | A | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L44 F65 Y90 S95 L103 | L44-A99 HydrophobicContact CD1-CB 4.44Å; F65-A99 HydrophobicContact CB-CB 3.83Å; F65-A99 HydrophobicContact CD2-CB 3.99Å; F65-A99 HydrophobicContact CG-CB 3.85Å; Y90-A99 HydrophobicContact CE2-CB 3.56Å; Y90-A99 VanDerWaalsContact OH-CB 3.29Å; Y90-A99 WeakPolarHBondContact OH-CB 3.27Å; S95-A99 VanDerWaalsContact O-CB 3.3Å; S95-A99 WeakPolarHBondContact O-CB 3.14Å; S95-A99 PolarHBondContact O-N 3.27Å; A99-L103 VanDerWaalsContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 PolarHBondContact O-N 3.46Å |
| 100 | Q | 93.8 | Very high | 91.5 | Very high | 55 Ų | 55 | 60 Ų | 60 | 26% | 0.257 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61 | -54 | 174.3 | -176.1 | 177.1 | -5.3 | 0 | 0 | 111 | A96 L97 K98 A102 L103 H104 V118 | A96-Q100 WeakPolarHBondContact O-CB 3.24Å; A96-Q100 PolarHBondContact O-N 2.93Å; L97-Q100 PolarHBondContact O-N 3.42Å; K98-Q100 VanDerWaalsContact C-N 3.34Å; K98-Q100 PolarHBondContact O-N 3.34Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-A102 PolarHBondContact O-N 3.5Å; Q100-L103 PolarHBondContact O-N 3.11Å; Q100-H104 HydrophobicContact CG-CB 4.34Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.38Å; Q100-V118 HydrophobicContact CB-CG1 4.1Å; Q100-V118 HydrophobicContact CG-CG1 4.47Å |
| 101 | S | 93.4 | Very high | 91.1 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 70% | 0.699 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -63.4 | -35.8 | -177.7 | -62 | 0 | 0 | 0 | 0 | 113.6 | L97 K98 | L97-S101 WeakPolarHBondContact O-CB 3.35Å; L97-S101 PolarHBondContact O-N 2.95Å; L97-S101 PolarHBondContact O-OG 2.97Å; L97-S101 VanDerWaalsContact O-OG 3.11Å; K98-S101 PolarHBondContact O-N 3.36Å |
| 102 | A | 93.9 | Very high | 91.1 | Very high | 46 Ų | 46 | 65 Ų | 65 | 38% | 0.38 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -84.7 | -23.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | F65 K98 Q100 Q106 | F65-A102 HydrophobicContact CD1-CB 4.13Å; F65-A102 HydrophobicContact CE1-CB 3.32Å; F65-A102 HydrophobicContact CZ-CB 3.8Å; K98-A102 VanDerWaalsContact O-CB 3.28Å; K98-A102 WeakPolarHBondContact O-CB 3.31Å; K98-A102 PolarHBondContact O-N 2.88Å; Q100-A102 VanDerWaalsContact C-N 3.34Å; Q100-A102 PolarHBondContact O-N 3.5Å; A102-Q106 WeakPolarHBondContact O-CB 3.22Å |
| 103 | L | 94.1 | Very high | 91 | Very high | 3 Ų | 3 | 70.8 Ų | 70.8 | 2% | 0.016 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -114.2 | -30 | -175.5 | -60.7 | 176.4 | 0 | 0 | 0 | 113.9 | F62 F65 A99 Q100 E105 Q106 K107 I116 V118 | F62-L103 HydrophobicContact CD1-CD1 3.66Å; F62-L103 HydrophobicContact CE1-CD1 3.29Å; F62-L103 HydrophobicContact CZ-CD1 4.2Å; F65-L103 HydrophobicContact CD2-CD1 4.18Å; F65-L103 HydrophobicContact CE2-CD1 3.63Å; F65-L103 HydrophobicContact CE2-CD2 4.05Å; F65-L103 HydrophobicContact CE2-CG 3.83Å; F65-L103 HydrophobicContact CZ-CD1 4.3Å; F65-L103 HydrophobicContact CZ-CD2 4.03Å; F65-L103 HydrophobicContact CZ-CG 3.98Å; A99-L103 VanDerWaalsContact O-CB 3.26Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 PolarHBondContact O-N 3.46Å; Q100-L103 PolarHBondContact O-N 3.11Å; L103-E105 PolarHBondContact O-N 2.93Å; L103-Q106 PolarHBondContact O-N 3.28Å; L103-K107 HydrophobicContact CD2-CB 4.16Å; L103-K107 HydrophobicContact CD2-CD 3.74Å; L103-I116 HydrophobicContact CB-CG2 3.92Å; L103-I116 WeakPolarHBondContact O-CG2 3.28Å; L103-V118 HydrophobicContact CB-CG2 3.72Å; L103-V118 HydrophobicContact CD1-CG2 4.33Å |
| 104 | H | 94 | Very high | 91.2 | Very high | 42 Ų | 42 | 72.8 Ų | 72.8 | 19% | 0.194 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | 109.9 | -173.1 | -172.2 | 66.8 | 0 | 0 | 0 | 112 | Q100 Q106 V118 K119 | Q100-H104 HydrophobicContact CG-CB 4.34Å; Q100-H104 WeakPolarHBondContact O-CB 3.46Å; Q100-H104 PolarHBondContact O-N 3.38Å; H104-Q106 WeakPolarHBondContact O-CG 3.5Å; H104-Q106 PolarHBondContact O-N 3.43Å; H104-Q106 PolarHBondContact O-NE2 2.87Å; H104-Q106 VanDerWaalsContact O-NE2 3.15Å; H104-V118 HydrophobicContact CB-CB 4.38Å; H104-V118 VanDerWaalsContact CG-O 3.27Å; H104-V118 PolarHBondContact ND1-N 2.92Å; H104-V118 PolarHBondContact ND1-O 3.01Å; H104-K119 WeakPolarHBondContact CE1-CE 3.04Å |
| 105 | E | 92.2 | Very high | 91.2 | Very high | 96 Ų | 96 | 68.9 Ų | 68.9 | 45% | 0.449 | 38% | 0.38 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.4 | 11 | -176.9 | -57.1 | -170.4 | 160.6 | 0 | 0 | 114.6 | L103 P115 I116 Q117 | L103-E105 PolarHBondContact O-N 2.93Å; E105-P115 HydrophobicContact CB-CG 3.95Å; E105-P115 HydrophobicContact CG-CG 4.3Å; E105-P115 WeakPolarHBondContact O-CB 3.37Å; E105-P115 WeakPolarHBondContact O-CG 3.23Å; E105-I116 PolarHBondContact N-O 2.9Å; E105-Q117 HydrophobicContact CG-CG 4.15Å; E105-Q117 PolarHBondContact OE1-NE2 2.75Å |
| 106 | Q | 91 | Very high | 91.2 | Very high | 140 Ų | 140 | 68 Ų | 68 | 65% | 0.654 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -37.8 | 177.6 | -56.4 | -49.9 | -56.7 | 0 | 0 | 113.6 | A102 L103 H104 | A102-Q106 WeakPolarHBondContact O-CB 3.22Å; L103-Q106 PolarHBondContact O-N 3.28Å; H104-Q106 WeakPolarHBondContact O-CG 3.5Å; H104-Q106 PolarHBondContact O-N 3.43Å; H104-Q106 PolarHBondContact O-NE2 2.87Å; H104-Q106 VanDerWaalsContact O-NE2 3.15Å |
| 107 | K | 88.3 | Confident | 91.2 | Very high | 88 Ų | 88 | 70.3 Ų | 70.3 | 38% | 0.383 | 38% | 0.384 | S | S | . | . | trans | -119.5 | 112.7 | -167.7 | -165.9 | 169.4 | -173.3 | 169.3 | 0 | 112.1 | L61 L103 I116 | L61-K107 HydrophobicContact CD1-CD 4Å; L103-K107 HydrophobicContact CD2-CB 4.16Å; L103-K107 HydrophobicContact CD2-CD 3.74Å; K107-I116 HydrophobicContact CB-CG2 4.19Å; K107-I116 WeakPolarHBondContact O-CB 3.4Å; K107-I116 VanDerWaalsContact O-CG2 3.27Å; K107-I116 WeakPolarHBondContact O-CG2 3.18Å; K107-I116 PolarHBondContact O-N 3.4Å | ||
| 108 | T | 91.2 | Very high | 91.4 | Very high | 78 Ų | 78 | 66.8 Ų | 66.8 | 48% | 0.479 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -84.8 | 126.1 | 171.9 | -58.3 | 0 | 0 | 0 | 0 | 110.4 | M112 P115 | T108-M112 HydrophobicContact CG2-CB 4.2Å; T108-M112 VanDerWaalsContact CG2-O 3.25Å; T108-M112 WeakPolarHBondContact CG2-O 3.04Å; T108-P115 WeakPolarHBondContact OG1-CA 3.26Å |
| 109 | L | 90 | Very high | 91.3 | Very high | 13 Ų | 13 | 66.5 Ų | 66.5 | 7% | 0.068 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -80.2 | 148.1 | 176 | -66.8 | 177.8 | 0 | 0 | 0 | 111.1 | I49 P50 L53 L61 G111 M112 I116 | I49-L109 HydrophobicContact CG2-CD1 4.46Å; P50-L109 HydrophobicContact CG-CB 3.81Å; P50-L109 HydrophobicContact CG-CD1 4.42Å; L53-L109 HydrophobicContact CD1-CD1 4.32Å; L61-L109 HydrophobicContact CD2-CD2 3.77Å; L109-G111 PolarHBondContact O-N 3.28Å; L109-M112 HydrophobicContact CB-CG 4.19Å; L109-M112 WeakPolarHBondContact O-CB 3.45Å; L109-M112 PolarHBondContact O-N 3.08Å; L109-I116 HydrophobicContact CD1-CD1 3.85Å; L109-I116 HydrophobicContact CD1-CG1 4.38Å; L109-I116 HydrophobicContact CG-CD1 4.36Å |
| 110 | P | 86.4 | Confident | 90.9 | Very high | 111 Ų | 111 | 69.9 Ų | 69.9 | 72% | 0.721 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.4 | 129.7 | 179.5 | -27.2 | 35.4 | 0 | 0 | 0 | 112.5 | P50 | P50-P110 VanDerWaalsContact CG-O 3.27Å; P50-P110 WeakPolarHBondContact CG-O 3.28Å |
| 111 | G | 83.7 | Confident | 90.4 | Very high | 76 Ų | 76 | 68 Ų | 68 | 78% | 0.784 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 85.2 | -5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | L109 | L109-G111 PolarHBondContact O-N 3.28Š|
| 112 | M | 88.4 | Confident | 89.2 | Confident | 45 Ų | 45 | 70.1 Ų | 70.1 | 22% | 0.222 | 38% | 0.384 | C | S | . | . | trans | -92.4 | 143.1 | 174.3 | -62.2 | -57 | -60.4 | 0 | 0 | 112.4 | Q48 P50 T108 L109 | Q48-M112 HydrophobicContact CB-CE 3.99Å; Q48-M112 VanDerWaalsContact OE1-CE 3.3Å; P50-M112 HydrophobicContact CB-SD 4.36Å; P50-M112 HydrophobicContact CG-CG 3.82Å; P50-M112 HydrophobicContact CG-SD 4.19Å; T108-M112 HydrophobicContact CG2-CB 4.2Å; T108-M112 VanDerWaalsContact CG2-O 3.25Å; T108-M112 WeakPolarHBondContact CG2-O 3.04Å; L109-M112 HydrophobicContact CB-CG 4.19Å; L109-M112 WeakPolarHBondContact O-CB 3.45Å; L109-M112 PolarHBondContact O-N 3.08Å | ||
| 113 | N | 85.7 | Confident | 87.5 | Confident | 162 Ų | 162 | 71.3 Ų | 71.3 | 87% | 0.866 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -94.6 | 9.1 | 174.8 | -68.3 | -84.6 | 0 | 0 | 0 | 112.9 | ||
| 114 | R | 90.2 | Very high | 85.5 | Confident | 156 Ų | 156 | 78.9 Ų | 78.9 | 59% | 0.589 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -148 | 149.4 | 179.5 | -69.5 | -169 | 175.6 | -148.2 | -4.4 | 109.9 | Q48 | Q48-R114 HydrophobicContact CG-CB 4.08Š|
| 115 | P | 90.8 | Very high | 83.5 | Confident | 37 Ų | 37 | 79.4 Ų | 79.4 | 24% | 0.24 | 44% | 0.441 | C | S | . | . | trans | -69.8 | 159.2 | 176.1 | 32.3 | -37.5 | 0 | 0 | 0 | 112.1 | Q48 E105 T108 | Q48-P115 WeakPolarHBondContact CB-O 3.4Å; Q48-P115 WeakPolarHBondContact CG-O 3.49Å; E105-P115 HydrophobicContact CB-CG 3.95Å; E105-P115 HydrophobicContact CG-CG 4.3Å; E105-P115 WeakPolarHBondContact O-CB 3.37Å; E105-P115 WeakPolarHBondContact O-CG 3.23Å; T108-P115 WeakPolarHBondContact OG1-CA 3.26Å | ||
| 116 | I | 93.9 | Very high | 81.6 | Confident | 0 Ų | 0 | 82.2 Ų | 82.2 | 0% | 0 | 45% | 0.448 | C | S | . | . | trans | -63.7 | 134.5 | -177.9 | -158.7 | 176 | 0 | 0 | 0 | 111.1 | I46 G47 F62 L103 E105 K107 L109 V118 | I46-I116 HydrophobicContact CG2-CD1 3.67Å; I46-I116 HydrophobicContact CG2-CG1 3.86Å; G47-I116 WeakPolarHBondContact O-CG1 3.48Å; F62-I116 HydrophobicContact CZ-CD1 3.73Å; L103-I116 HydrophobicContact CB-CG2 3.92Å; L103-I116 WeakPolarHBondContact O-CG2 3.28Å; E105-I116 PolarHBondContact N-O 2.9Å; K107-I116 HydrophobicContact CB-CG2 4.19Å; K107-I116 WeakPolarHBondContact O-CB 3.4Å; K107-I116 VanDerWaalsContact O-CG2 3.27Å; K107-I116 WeakPolarHBondContact O-CG2 3.18Å; K107-I116 PolarHBondContact O-N 3.4Å; L109-I116 HydrophobicContact CD1-CD1 3.85Å; L109-I116 HydrophobicContact CD1-CG1 4.38Å; L109-I116 HydrophobicContact CG-CD1 4.36Å; I116-V118 HydrophobicContact CG2-CG2 4.46Å | ||
| 117 | Q | 93.2 | Very high | 79.9 | Confident | 48 Ų | 48 | 76.4 Ų | 76.4 | 22% | 0.224 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 85.2 | -174.6 | -73.1 | -172.6 | -41.8 | 0 | 0 | 111 | G47 Q48 E105 | G47-Q117 PolarHBondContact N-O 3.28Å; G47-Q117 PolarHBondContact O-N 3.15Å; Q48-Q117 HydrophobicContact CG-CG 4.03Å; E105-Q117 HydrophobicContact CG-CG 4.15Å; E105-Q117 PolarHBondContact OE1-NE2 2.75Å |
| 118 | V | 95.1 | Very high | 78.6 | Confident | 0 Ų | 0 | 75.1 Ų | 75.1 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 115.2 | 173.4 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | L44 F45 I46 F62 Q100 L103 H104 I116 | L44-V118 HydrophobicContact CB-CG1 4.42Å; L44-V118 HydrophobicContact CD1-CG1 3.83Å; L44-V118 HydrophobicContact CD2-CG1 4.29Å; L44-V118 HydrophobicContact CG-CG1 4.42Å; F45-V118 WeakPolarHBondContact O-CA 3.05Å; I46-V118 HydrophobicContact CD1-CB 4.18Å; I46-V118 HydrophobicContact CD1-CG1 3.78Å; I46-V118 HydrophobicContact CD1-CG2 3.81Å; F62-V118 HydrophobicContact CE1-CG2 4.3Å; Q100-V118 HydrophobicContact CB-CG1 4.1Å; Q100-V118 HydrophobicContact CG-CG1 4.47Å; L103-V118 HydrophobicContact CB-CG2 3.72Å; L103-V118 HydrophobicContact CD1-CG2 4.33Å; H104-V118 HydrophobicContact CB-CB 4.38Å; H104-V118 VanDerWaalsContact CG-O 3.27Å; H104-V118 PolarHBondContact ND1-N 2.92Å; H104-V118 PolarHBondContact ND1-O 3.01Å; I116-V118 HydrophobicContact CG2-CG2 4.46Å |
| 119 | K | 92.4 | Very high | 77.7 | Confident | 101 Ų | 101 | 75 Ų | 75 | 44% | 0.439 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 158.7 | 175.3 | -65.2 | -166.9 | 178.4 | -168.8 | 0 | 110.2 | L44 F45 H104 A121 | L44-K119 CarbonylContact C-O 3.53Å; L44-K119 WeakPolarHBondContact CA-O 3.36Å; F45-K119 PolarHBondContact N-O 2.99Å; F45-K119 PolarHBondContact O-N 3.24Å; H104-K119 WeakPolarHBondContact CE1-CE 3.04Å; K119-A121 PolarHBondContact O-N 3.28Å |
| 120 | P | 88.4 | Confident | 77.6 | Confident | 71 Ų | 71 | 76.1 Ų | 76.1 | 46% | 0.461 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -51.7 | 135.1 | 161.9 | -23.6 | 34.8 | 0 | 0 | 0 | 109.8 | ||
| 121 | A | 83.3 | Confident | 77.9 | Confident | 14 Ų | 14 | 73.2 Ų | 73.2 | 12% | 0.116 | 40% | 0.397 | C | S | . | . | P | Polyproline II helix | trans | -79.4 | 125.8 | 174 | 0 | 0 | 0 | 0 | 0 | 109.5 | K43 F45 F87 K119 S123 | K43-A121 HydrophobicContact CB-CB 4.37Å; K43-A121 HydrophobicContact CG-CB 4.16Å; K43-A121 WeakPolarHBondContact O-CB 3.35Å; K43-A121 PolarHBondContact O-N 2.81Å; F45-A121 HydrophobicContact CB-CB 4.25Å; F87-A121 HydrophobicContact CD1-CB 3.9Å; F87-A121 HydrophobicContact CE1-CB 3.67Å; K119-A121 PolarHBondContact O-N 3.28Å; A121-S123 PolarHBondContact O-N 3.41Å |
| 122 | D | 66.8 | Low | 78.4 | Confident | 146 Ų | 146 | 69.6 Ų | 69.6 | 78% | 0.781 | 36% | 0.359 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 127.4 | 161.4 | -77.4 | -58.6 | 0 | 0 | 0 | 108.9 | E124 | D122-E124 HydrophobicContact CB-CG 4.26Å; D122-E124 PolarHBondContact O-N 2.94Å |
| 123 | S | 59.3 | Low | 78.7 | Confident | 70 Ų | 70 | 70 Ų | 70 | 49% | 0.49 | 36% | 0.36 | S | S | . | . | trans | -82.6 | 49 | -173.4 | -67.9 | 0 | 0 | 0 | 0 | 111.9 | A121 G125 R126 G127 | A121-S123 PolarHBondContact O-N 3.41Å; S123-G125 PolarHBondContact O-N 3.14Å; S123-R126 PolarHBondContact O-N 3.14Å; S123-G127 PolarHBondContact O-N 2.8Å | ||
| 124 | E | 50.7 | Low | 79.1 | Confident | 163 Ų | 163 | 62.3 Ų | 62.3 | 76% | 0.762 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -0.3 | -177.1 | -80.5 | -154.5 | 121.7 | 0 | 0 | 115.8 | D122 | D122-E124 HydrophobicContact CB-CG 4.26Å; D122-E124 PolarHBondContact O-N 2.94Å |
| 125 | G | 52 | Low | 79.2 | Confident | 52 Ų | 52 | 55 Ų | 55 | 54% | 0.536 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142 | 25.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | S123 | S123-G125 PolarHBondContact O-N 3.14Š|
| 126 | R | 53.7 | Low | 79.3 | Confident | 155 Ų | 155 | 58.3 Ų | 58.3 | 59% | 0.585 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -146.8 | 9.6 | 168.7 | -67.8 | -163 | -172.9 | -156.7 | 4.2 | 114 | S123 R130 | S123-R126 PolarHBondContact O-N 3.14Å; R126-R130 PolarHBondContact O-NE 3.24Å |
| 127 | G | 54 | Low | 79.1 | Confident | 19 Ų | 19 | 58.7 Ų | 58.7 | 20% | 0.196 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -82.7 | -25.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | S123 K131 | S123-G127 PolarHBondContact O-N 2.8Å; G127-K131 PolarHBondContact O-N 3.49Å |
| 128 | E | 61.8 | Low | 78.8 | Confident | 61 Ų | 61 | 56.5 Ų | 56.5 | 29% | 0.285 | 30% | 0.298 | S | S | . | . | G | 310 helix | trans | -77.5 | -47.6 | -173.7 | -65 | 163.3 | 141.9 | 0 | 0 | 110.3 | R130 K131 T210 K212 | E128-R130 PolarHBondContact O-N 2.82Å; E128-K131 PolarHBondContact O-N 2.8Å; E128-T210 HydrophobicContact CB-CG2 3.95Å; E128-T210 HydrophobicContact CG-CG2 3.76Å; E128-T210 WeakPolarHBondContact OE1-CB 3.26Å; E128-T210 WeakPolarHBondContact OE1-CG2 3.39Å; E128-K212 IonicContact OE1-NZ 3.39Å |
| 129 | D | 72.6 | Confident | 78.5 | Confident | 75 Ų | 75 | 64 Ų | 64 | 40% | 0.401 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -61.8 | -2.5 | 173.9 | -35.4 | -47.6 | 0 | 0 | 0 | 115 | H180 F207 | D129-H180 PolarHBondContact O-ND1 2.69Å; D129-F207 WeakPolarHBondContact O-CE1 3.38Å |
| 130 | R | 87.9 | Confident | 78.3 | Confident | 37 Ų | 37 | 66 Ų | 66 | 14% | 0.14 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -119.2 | -7.2 | -179.6 | -59.3 | -168.1 | -70.5 | 131.4 | -19.3 | 113.3 | R126 E128 E157 K176 F177 S178 H180 | R126-R130 PolarHBondContact O-NE 3.24Å; E128-R130 PolarHBondContact O-N 2.82Å; R130-E157 IonicContact CZ-OE1 3.84Å; R130-E157 VanDerWaalsContact NH1-CD 3.28Å; R130-E157 IonicContact NH1-OE1 2.64Å; R130-E157 PolarHBondContact NH1-OE1 2.85Å; R130-E157 IonicContact NH1-OE2 2.65Å; R130-E157 PolarHBondContact NH1-OE2 3.39Å; R130-E157 IonicContact NH2-OE1 3.1Å; R130-K176 WeakPolarHBondContact O-CA 3.29Å; R130-F177 PolarHBondContact NH1-O 2.74Å; R130-F177 PolarHBondContact O-N 2.9Å; R130-S178 WeakPolarHBondContact CD-O 3.48Å; R130-S178 PolarHBondContact NH1-O 2.89Å; R130-H180 HydrophobicContact CG-CB 4.37Å |
| 131 | K | 91.9 | Very high | 78.4 | Confident | 50 Ų | 50 | 63.3 Ų | 63.3 | 22% | 0.217 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 118.3 | -179.1 | -165.3 | 160.4 | -171.4 | 159.8 | 0 | 109.4 | G127 E128 E158 V175 K176 A208 | G127-K131 PolarHBondContact O-N 3.49Å; E128-K131 PolarHBondContact O-N 2.8Å; K131-E158 WeakPolarHBondContact CE-OE1 3.47Å; K131-E158 IonicContact NZ-OE1 3.75Å; K131-E158 PolarHBondContact NZ-OE1 3.11Å; K131-E158 IonicContact NZ-OE2 3.66Å; K131-E158 PolarHBondContact NZ-OE2 3.27Å; K131-V175 CarbonylContact C-O 3.52Å; K131-V175 WeakPolarHBondContact CA-O 3.17Å; K131-K176 HydrophobicContact CB-CG 4.35Å; K131-K176 HydrophobicContact CG-CB 4.39Å; K131-A208 HydrophobicContact CB-CB 4.32Å; K131-A208 HydrophobicContact CG-CB 4.15Å; K131-A208 WeakPolarHBondContact O-CB 3.01Å; K131-A208 PolarHBondContact O-N 2.99Å |
| 132 | L | 94.1 | Very high | 78.9 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 138.1 | 177.5 | -56.4 | -174.9 | 0 | 0 | 0 | 110.5 | F150 F174 V175 F177 A183 A186 I187 V205 K206 F207 | L132-F150 HydrophobicContact CD1-CD1 4.4Å; L132-F150 HydrophobicContact CD1-CE1 4.01Å; L132-F174 VanDerWaalsContact O-CA 3.28Å; L132-F174 WeakPolarHBondContact O-CA 3.34Å; L132-V175 PolarHBondContact N-O 3.12Å; L132-V175 PolarHBondContact O-N 3.08Å; L132-F177 HydrophobicContact CD1-CD2 4.19Å; L132-F177 HydrophobicContact CD1-CE2 3.76Å; L132-A183 HydrophobicContact CD1-CB 4.43Å; L132-A183 HydrophobicContact CD2-CB 4.04Å; L132-A183 HydrophobicContact CG-CB 4.24Å; L132-A186 HydrophobicContact CD1-CB 3.9Å; L132-I187 HydrophobicContact CD1-CG1 4.24Å; L132-I187 HydrophobicContact CD2-CD1 3.59Å; L132-I187 HydrophobicContact CD2-CG1 3.7Å; L132-V205 HydrophobicContact CB-CG1 4.48Å; L132-V205 HydrophobicContact CD1-CG1 3.79Å; L132-K206 CarbonylContact C-O 3.45Å; L132-K206 WeakPolarHBondContact CA-O 3.3Å; L132-F207 HydrophobicContact CD2-CD1 3.69Å; L132-F207 HydrophobicContact CD2-CE1 3.87Å; L132-F207 HydrophobicContact CD2-CG 4.43Å |
| 133 | F | 95 | Very high | 80.1 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.6 | 157.2 | 174.1 | -94.5 | 0 | 0 | 0 | 108.6 | C172 F174 V205 K206 A208 | F133-C172 HydrophobicContact CE2-CB 3.59Å; F133-C172 HydrophobicContact CZ-CB 3.56Å; F133-F174 HydrophobicContact CB-CD1 4.28Å; F133-F174 HydrophobicContact CB-CE1 4.04Å; F133-F174 HydrophobicContact CD2-CD1 4.41Å; F133-F174 AromaticContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CZ 4.28Å; F133-F174 HydrophobicContact CG-CE1 4.45Å; F133-V205 WeakPolarHBondContact O-CA 3.47Å; F133-K206 HydrophobicContact CB-CG 4.27Å; F133-K206 HydrophobicContact CD1-CG 4.22Å; F133-K206 PolarHBondContact N-O 2.87Å; F133-K206 PolarHBondContact O-N 3.41Å; F133-A208 HydrophobicContact CB-CB 4.36Å |
| 134 | V | 94.4 | Very high | 81.8 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 99.9 | 178.5 | -175.8 | 0 | 0 | 0 | 0 | 107.6 | L137 F150 C172 A173 V175 V205 | V134-L137 HydrophobicContact CG1-CD1 4.15Å; V134-L137 HydrophobicContact CG1-CD2 3.97Å; V134-L137 HydrophobicContact CG1-CG 4.03Å; V134-F150 HydrophobicContact CB-CZ 4.21Å; V134-F150 HydrophobicContact CG1-CE2 3.9Å; V134-F150 HydrophobicContact CG1-CZ 3.76Å; V134-F150 HydrophobicContact CG2-CE1 3.78Å; V134-F150 HydrophobicContact CG2-CE2 3.95Å; V134-F150 HydrophobicContact CG2-CZ 3.34Å; V134-C172 CarbonylContact O-C 3.51Å; V134-C172 WeakPolarHBondContact O-CA 3.29Å; V134-C172 WeakPolarHBondContact O-CB 3.49Å; V134-A173 HydrophobicContact CB-CB 4.44Å; V134-A173 PolarHBondContact N-O 3.02Å; V134-A173 PolarHBondContact O-N 3.41Å; V134-V175 HydrophobicContact CG2-CB 4.46Å; V134-V175 HydrophobicContact CG2-CG2 3.85Å; V134-V205 HydrophobicContact CG1-CG2 4.38Å |
| 135 | G | 92.4 | Very high | 83.8 | Confident | 3 Ų | 3 | 54.6 Ų | 54.6 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 166.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | L137 L203 V204 | G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.74Å; G135-L203 WeakPolarHBondContact O-CA 3.39Å; G135-V204 PolarHBondContact N-O 3.4Å; G135-V204 PolarHBondContact O-N 2.9Å |
| 136 | M | 91.7 | Very high | 85.8 | Confident | 105 Ų | 105 | 52.1 Ų | 52.1 | 52% | 0.517 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 62.5 | 31.1 | 179.8 | -51.3 | -52.8 | 172.3 | 0 | 0 | 114.7 | G171 A199 S202 V204 | M136-G171 PolarHBondContact N-O 3.16Å; M136-A199 WeakPolarHBondContact O-CB 3.24Å; M136-S202 WeakPolarHBondContact CB-O 3.18Å; M136-V204 HydrophobicContact CB-CG2 4.5Å; M136-V204 HydrophobicContact CG-CG2 3.71Å |
| 137 | L | 90.2 | Very high | 87.8 | Confident | 8 Ų | 8 | 49 Ų | 49 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | trans | -68.8 | 143.1 | 166.5 | -67.1 | 169.3 | 0 | 0 | 0 | 110.4 | V134 G135 V146 G171 A173 M196 L203 | V134-L137 HydrophobicContact CG1-CD1 4.15Å; V134-L137 HydrophobicContact CG1-CD2 3.97Å; V134-L137 HydrophobicContact CG1-CG 4.03Å; G135-L137 VanDerWaalsContact C-N 3.31Å; G135-L137 PolarHBondContact O-N 2.74Å; L137-V146 HydrophobicContact CD1-CG2 3.69Å; L137-V146 HydrophobicContact CD2-CG2 3.9Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; L137-G171 PolarHBondContact N-O 2.8Å; L137-G171 WeakPolarHBondContact O-CA 3.5Å; L137-A173 HydrophobicContact CD1-CB 3.51Å; L137-M196 HydrophobicContact CD2-CE 3.75Å; L137-M196 HydrophobicContact CD2-CG 4.29Å; L137-L203 HydrophobicContact CD2-CD2 3.7Å; L137-L203 HydrophobicContact CG-CD2 4.31Å | ||
| 138 | G | 88.1 | Confident | 89.7 | Confident | 2 Ų | 2 | 54.5 Ų | 54.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | trans | -61 | 140.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | Q140 Q141 G198 | G138-Q140 PolarHBondContact O-N 3.47Å; G138-Q141 VanDerWaalsContact O-CB 3.27Å; G138-Q141 WeakPolarHBondContact O-CB 3.4Å; G138-Q141 VanDerWaalsContact O-CG 3.31Å; G138-Q141 WeakPolarHBondContact O-CG 3.4Å; G138-Q141 PolarHBondContact O-N 2.99Å; G138-G198 WeakPolarHBondContact CA-O 3.39Å | ||
| 139 | K | 88.4 | Confident | 91.1 | Very high | 158 Ų | 158 | 52.9 Ų | 52.9 | 69% | 0.687 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -65.1 | -15.3 | -173.8 | -66.2 | -173 | 178.4 | -178.8 | 0 | 114.5 | S169 | K139-S169 WeakPolarHBondContact O-CB 3.5Š|
| 140 | Q | 88.7 | Confident | 92.2 | Very high | 142 Ų | 142 | 49.3 Ų | 49.3 | 66% | 0.664 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -86 | -9.9 | 174.6 | 66.4 | -152.5 | 68.2 | 0 | 0 | 114.3 | G138 | G138-Q140 PolarHBondContact O-N 3.47Š|
| 141 | Q | 89.3 | Confident | 92.5 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 7% | 0.07 | 24% | 0.243 | C | C | . | . | trans | -73.2 | 133.1 | -175.6 | -64.1 | -67.4 | -26.3 | 0 | 0 | 111.3 | G138 M196 P197 | G138-Q141 VanDerWaalsContact O-CB 3.27Å; G138-Q141 WeakPolarHBondContact O-CB 3.4Å; G138-Q141 VanDerWaalsContact O-CG 3.31Å; G138-Q141 WeakPolarHBondContact O-CG 3.4Å; G138-Q141 PolarHBondContact O-N 2.99Å; Q141-M196 HydrophobicContact CB-CE 4.31Å; Q141-M196 HydrophobicContact CG-CB 4.4Å; Q141-M196 HydrophobicContact CG-CE 4Å; Q141-M196 VanDerWaalsContact OE1-CE 3.24Å; Q141-P197 PolarHBondContact NE2-O 3.44Å | ||
| 142 | S | 93.1 | Very high | 92.6 | Very high | 33 Ų | 33 | 55.6 Ų | 55.6 | 23% | 0.231 | 27% | 0.266 | C | S | . | . | trans | -95.4 | 166.5 | 178.9 | 71.5 | 0 | 0 | 0 | 0 | 113 | D144 D145 V146 | S142-D144 PolarHBondContact O-N 3Å; S142-D144 PolarHBondContact OG-N 3.36Å; S142-D145 VanDerWaalsContact CB-OD2 3.32Å; S142-D145 WeakPolarHBondContact CB-OD2 3.19Å; S142-D145 PolarHBondContact N-OD2 3.21Å; S142-D145 PolarHBondContact O-N 2.94Å; S142-D145 VanDerWaalsContact O-N 3.17Å; S142-D145 VanDerWaalsContact OG-CG 3.3Å; S142-D145 PolarHBondContact OG-N 2.98Å; S142-D145 PolarHBondContact OG-OD2 3.01Å; S142-V146 WeakPolarHBondContact O-CG2 3.35Å; S142-V146 PolarHBondContact O-N 3.06Å | ||
| 143 | E | 93.9 | Very high | 92.6 | Very high | 50 Ų | 50 | 57.9 Ų | 57.9 | 23% | 0.234 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.8 | -36 | 169.8 | -72 | 74.2 | -176 | 0 | 0 | 111.9 | R147 C159 V161 R163 | E143-R147 WeakPolarHBondContact O-CB 3.45Å; E143-R147 PolarHBondContact O-N 3.31Å; E143-C159 PolarHBondContact O-SG 3.46Å; E143-V161 HydrophobicContact CG-CB 4.34Å; E143-V161 HydrophobicContact CG-CG2 3.94Å; E143-V161 VanDerWaalsContact OE1-CB 3.31Å; E143-V161 WeakPolarHBondContact OE1-CB 3.12Å; E143-V161 PolarHBondContact OE1-N 3.27Å; E143-R163 IonicContact OE1-CZ 2.64Å; E143-R163 IonicContact OE1-NE 3.57Å; E143-R163 PolarHBondContact OE1-NE 2.78Å; E143-R163 VanDerWaalsContact OE1-NE 3.1Å; E143-R163 IonicContact OE1-NH2 3.99Å; E143-R163 PolarHBondContact OE1-NH2 2.86Å; E143-R163 IonicContact OE2-CZ 3.19Å; E143-R163 IonicContact OE2-NE 2.82Å; E143-R163 IonicContact OE2-NH2 3.25Å; E143-R163 PolarHBondContact OE2-NH2 2.81Å |
| 144 | D | 94.1 | Very high | 92.5 | Very high | 79 Ų | 79 | 56.1 Ų | 56.1 | 42% | 0.422 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -81.1 | -26.3 | 179.6 | -65.8 | -56.5 | 0 | 0 | 0 | 113.5 | S142 R147 R148 | S142-D144 PolarHBondContact O-N 3Å; S142-D144 PolarHBondContact OG-N 3.36Å; D144-R147 IonicContact OD1-NH1 2.72Å; D144-R147 PolarHBondContact OD1-NH1 3.44Å; D144-R148 WeakPolarHBondContact O-CB 3.3Å; D144-R148 WeakPolarHBondContact O-CG 3.31Å; D144-R148 VanDerWaalsContact O-CZ 3.31Å; D144-R148 PolarHBondContact O-N 3.03Å; D144-R148 PolarHBondContact O-NE 3.4Å; D144-R148 PolarHBondContact O-NH1 3.48Å |
| 145 | D | 92.8 | Very high | 92.3 | Very high | 49 Ų | 49 | 62.9 Ų | 62.9 | 26% | 0.262 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -43.9 | 168.9 | -60.3 | -58.9 | 0 | 0 | 0 | 110.9 | S142 R148 L149 M196 | S142-D145 VanDerWaalsContact CB-OD2 3.32Å; S142-D145 WeakPolarHBondContact CB-OD2 3.19Å; S142-D145 PolarHBondContact N-OD2 3.21Å; S142-D145 PolarHBondContact O-N 2.94Å; S142-D145 VanDerWaalsContact O-N 3.17Å; S142-D145 VanDerWaalsContact OG-CG 3.3Å; S142-D145 PolarHBondContact OG-N 2.98Å; S142-D145 PolarHBondContact OG-OD2 3.01Å; D145-R148 PolarHBondContact O-N 3.5Å; D145-R148 IonicContact OD1-CZ 3.43Å; D145-R148 IonicContact OD1-NH2 3.65Å; D145-R148 PolarHBondContact OD1-NH2 2.94Å; D145-L149 PolarHBondContact O-N 3.2Å; D145-L149 VanDerWaalsContact O-N 3.09Å; D145-M196 HydrophobicContact CB-CE 4.31Å |
| 146 | V | 93.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65 | -40.8 | 175.4 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | L137 S142 L149 F150 V161 A173 V175 M196 | L137-V146 HydrophobicContact CD1-CG2 3.69Å; L137-V146 HydrophobicContact CD2-CG2 3.9Å; L137-V146 HydrophobicContact CG-CG2 4.48Å; S142-V146 WeakPolarHBondContact O-CG2 3.35Å; S142-V146 PolarHBondContact O-N 3.06Å; V146-L149 PolarHBondContact O-N 3.28Å; V146-F150 HydrophobicContact CG1-CD2 4Å; V146-F150 HydrophobicContact CG1-CE2 4.25Å; V146-F150 VanDerWaalsContact O-CD2 3.3Å; V146-F150 WeakPolarHBondContact O-CD2 3.37Å; V146-F150 PolarHBondContact O-N 2.98Å; V146-V161 HydrophobicContact CG2-CG2 4.4Å; V146-A173 HydrophobicContact CG1-CB 4.3Å; V146-A173 HydrophobicContact CG2-CB 4.43Å; V146-V175 HydrophobicContact CG1-CG2 3.53Å; V146-M196 HydrophobicContact CG2-CE 4.2Å |
| 147 | R | 95.4 | Very high | 92.2 | Very high | 89 Ų | 89 | 63.4 Ų | 63.4 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.8 | -52.8 | 173.5 | 177.4 | 177.2 | -80.3 | 125.9 | -5.7 | 111.6 | E143 D144 L149 F150 E151 I156 | E143-R147 WeakPolarHBondContact O-CB 3.45Å; E143-R147 PolarHBondContact O-N 3.31Å; D144-R147 IonicContact OD1-NH1 2.72Å; D144-R147 PolarHBondContact OD1-NH1 3.44Å; R147-L149 PolarHBondContact O-N 3.26Å; R147-F150 PolarHBondContact O-N 2.9Å; R147-F150 VanDerWaalsContact O-N 3.08Å; R147-E151 WeakPolarHBondContact O-CB 3.48Å; R147-E151 WeakPolarHBondContact O-CG 3.5Å; R147-E151 PolarHBondContact O-N 2.6Å; R147-I156 HydrophobicContact CG-CD1 4.16Å |
| 148 | R | 93.9 | Very high | 92.2 | Very high | 134 Ų | 134 | 66 Ų | 66 | 51% | 0.506 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -55.3 | -37.4 | 178.3 | -80.5 | -174.7 | -69.7 | -86.6 | 3.7 | 113.5 | D144 D145 | D144-R148 WeakPolarHBondContact O-CB 3.3Å; D144-R148 WeakPolarHBondContact O-CG 3.31Å; D144-R148 VanDerWaalsContact O-CZ 3.31Å; D144-R148 PolarHBondContact O-N 3.03Å; D144-R148 PolarHBondContact O-NE 3.4Å; D144-R148 PolarHBondContact O-NH1 3.48Å; D145-R148 PolarHBondContact O-N 3.5Å; D145-R148 IonicContact OD1-CZ 3.43Å; D145-R148 IonicContact OD1-NH2 3.65Å; D145-R148 PolarHBondContact OD1-NH2 2.94Å |
| 149 | L | 92.1 | Very high | 92.5 | Very high | 27 Ų | 27 | 66.6 Ų | 66.6 | 14% | 0.141 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -69.9 | -43.3 | 176.6 | 174.3 | 59.6 | 0 | 0 | 0 | 112.3 | D145 V146 R147 L190 Q194 M196 L203 | D145-L149 PolarHBondContact O-N 3.2Å; D145-L149 VanDerWaalsContact O-N 3.09Å; V146-L149 PolarHBondContact O-N 3.28Å; R147-L149 PolarHBondContact O-N 3.26Å; L149-L190 HydrophobicContact CD1-CD1 4.32Å; L149-L190 HydrophobicContact CD1-CD2 3.87Å; L149-L190 HydrophobicContact CD2-CD1 4.32Å; L149-L190 HydrophobicContact CG-CD1 4.01Å; L149-L190 HydrophobicContact CG-CD2 4.42Å; L149-Q194 VanDerWaalsContact CD1-NE2 3.27Å; L149-Q194 VanDerWaalsContact CD1-OE1 3.24Å; L149-Q194 VanDerWaalsContact CD2-OE1 3.29Å; L149-M196 HydrophobicContact CD2-CE 4.11Å; L149-M196 HydrophobicContact CD2-CG 4.17Å; L149-M196 HydrophobicContact CD2-SD 3.89Å; L149-L203 HydrophobicContact CD2-CD1 3.55Å |
| 150 | F | 94.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -87.4 | -23.3 | -171.8 | -81.6 | -105.9 | 0 | 0 | 0 | 113.9 | L132 V134 V146 R147 T152 F153 I156 V175 F177 A186 L190 V205 | L132-F150 HydrophobicContact CD1-CD1 4.4Å; L132-F150 HydrophobicContact CD1-CE1 4.01Å; V134-F150 HydrophobicContact CB-CZ 4.21Å; V134-F150 HydrophobicContact CG1-CE2 3.9Å; V134-F150 HydrophobicContact CG1-CZ 3.76Å; V134-F150 HydrophobicContact CG2-CE1 3.78Å; V134-F150 HydrophobicContact CG2-CE2 3.95Å; V134-F150 HydrophobicContact CG2-CZ 3.34Å; V146-F150 HydrophobicContact CG1-CD2 4Å; V146-F150 HydrophobicContact CG1-CE2 4.25Å; V146-F150 VanDerWaalsContact O-CD2 3.3Å; V146-F150 WeakPolarHBondContact O-CD2 3.37Å; V146-F150 PolarHBondContact O-N 2.98Å; R147-F150 PolarHBondContact O-N 2.9Å; R147-F150 VanDerWaalsContact O-N 3.08Å; F150-T152 PolarHBondContact O-N 3.42Å; F150-F153 PolarHBondContact O-N 3.33Å; F150-I156 HydrophobicContact CB-CD1 3.62Å; F150-V175 HydrophobicContact CB-CG1 4.04Å; F150-V175 HydrophobicContact CD1-CB 4.29Å; F150-V175 HydrophobicContact CD1-CG1 4.03Å; F150-V175 HydrophobicContact CD1-CG2 4.22Å; F150-V175 HydrophobicContact CD2-CG2 4.36Å; F150-V175 HydrophobicContact CG-CG1 4.17Å; F150-V175 HydrophobicContact CG-CG2 4.14Å; F150-F177 HydrophobicContact CB-CZ 3.99Å; F150-F177 AromaticContact CD1-CE2 3.94Å; F150-F177 HydrophobicContact CD1-CE2 3.94Å; F150-F177 AromaticContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CG-CZ 4.47Å; F150-F177 WeakPolarHBondContact O-CE1 3.41Å; F150-F177 WeakPolarHBondContact O-CZ 3.49Å; F150-A186 HydrophobicContact CD1-CB 4.03Å; F150-A186 HydrophobicContact CE1-CB 4.16Å; F150-L190 HydrophobicContact CD1-CD1 4.03Å; F150-L190 HydrophobicContact CD2-CD1 3.97Å; F150-L190 HydrophobicContact CE1-CD1 3.71Å; F150-L190 HydrophobicContact CE2-CD1 3.65Å; F150-L190 HydrophobicContact CG-CD1 4.15Å; F150-L190 HydrophobicContact CZ-CD1 3.5Å; F150-V205 HydrophobicContact CE1-CG1 3.84Å; F150-V205 HydrophobicContact CE1-CG2 4.42Å; F150-V205 HydrophobicContact CZ-CG1 4.06Å; F150-V205 HydrophobicContact CZ-CG2 3.83Å |
| 151 | E | 95.2 | Very high | 93.1 | Very high | 105 Ų | 105 | 55.5 Ų | 55.5 | 49% | 0.491 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -66.4 | -20 | -177.6 | 69.2 | -167.6 | -177.1 | 0 | 0 | 113.5 | R147 F153 G154 I156 | R147-E151 WeakPolarHBondContact O-CB 3.48Å; R147-E151 WeakPolarHBondContact O-CG 3.5Å; R147-E151 PolarHBondContact O-N 2.6Å; E151-F153 PolarHBondContact O-N 2.9Å; E151-G154 PolarHBondContact O-N 2.9Å; E151-I156 HydrophobicContact CB-CD1 4.12Å |
| 152 | T | 94.1 | Very high | 93.2 | Very high | 115 Ų | 115 | 57.1 Ų | 57.1 | 71% | 0.706 | 29% | 0.286 | S | S | * | . | G | 310 helix | trans | -60.1 | -22.4 | 170.6 | -57.1 | 0 | 0 | 0 | 0 | 112.6 | F150 | F150-T152 PolarHBondContact O-N 3.42Š|
| 153 | F | 94.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 60.9 Ų | 60.9 | 21% | 0.211 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -101.2 | -7.2 | -177 | -58.5 | -82.5 | 0 | 0 | 0 | 114.1 | F150 E151 F177 E182 A185 A186 L190 | F150-F153 PolarHBondContact O-N 3.33Å; E151-F153 PolarHBondContact O-N 2.9Å; F153-F177 HydrophobicContact CB-CE1 4.23Å; F153-F177 HydrophobicContact CB-CZ 4.1Å; F153-E182 WeakPolarHBondContact O-CA 3.46Å; F153-E182 WeakPolarHBondContact O-CB 3.45Å; F153-E182 WeakPolarHBondContact O-CG 3.37Å; F153-A185 HydrophobicContact CD1-CB 4.45Å; F153-A186 HydrophobicContact CB-CB 3.87Å; F153-A186 HydrophobicContact CD1-CB 4.49Å; F153-A186 HydrophobicContact CD2-CB 4.2Å; F153-A186 HydrophobicContact CG-CB 3.91Å; F153-L190 HydrophobicContact CD2-CD1 4.15Å; F153-L190 HydrophobicContact CE2-CD1 3.66Å; F153-L190 HydrophobicContact CE2-CD2 3.9Å; F153-L190 HydrophobicContact CE2-CG 3.76Å; F153-L190 HydrophobicContact CZ-CD1 4.33Å; F153-L190 HydrophobicContact CZ-CD2 3.94Å; F153-L190 HydrophobicContact CZ-CG 3.92Å |
| 154 | G | 91.6 | Very high | 93.1 | Very high | 17 Ų | 17 | 59.4 Ų | 59.4 | 18% | 0.175 | 29% | 0.293 | C | S | . | . | S | Bend | trans | 152.8 | 175.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | E151 E182 | E151-G154 PolarHBondContact O-N 2.9Å; G154-E182 WeakPolarHBondContact CA-OE1 3.04Å |
| 155 | Q | 90.9 | Very high | 92.9 | Very high | 142 Ų | 142 | 62.8 Ų | 62.8 | 66% | 0.664 | 32% | 0.319 | S | S | * | . | trans | -75.7 | 128.4 | 179.3 | 177.9 | 179.5 | 107.6 | 0 | 0 | 111.3 | F177 S178 E182 | Q155-F177 CarbonylContact O-C 3.55Å; Q155-F177 VanDerWaalsContact O-CA 3.31Å; Q155-F177 WeakPolarHBondContact O-CA 3.2Å; Q155-S178 WeakPolarHBondContact CB-OG 3.41Å; Q155-S178 PolarHBondContact O-N 2.91Å; Q155-S178 PolarHBondContact O-OG 3.09Å; Q155-E182 PolarHBondContact N-OE1 3.35Å | ||
| 156 | I | 92.9 | Very high | 92.8 | Very high | 25 Ų | 25 | 66.3 Ų | 66.3 | 13% | 0.128 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 114.3 | -179.1 | -63.4 | 171.3 | 0 | 0 | 0 | 110.2 | R147 F150 E151 E158 C159 V175 K176 F177 | R147-I156 HydrophobicContact CG-CD1 4.16Å; F150-I156 HydrophobicContact CB-CD1 3.62Å; E151-I156 HydrophobicContact CB-CD1 4.12Å; I156-E158 VanDerWaalsContact CG2-O 3.23Å; I156-E158 WeakPolarHBondContact CG2-O 3.25Å; I156-C159 HydrophobicContact CG2-CB 4.16Å; I156-V175 HydrophobicContact CD1-CG1 4.08Å; I156-V175 HydrophobicContact CG1-CG1 4.06Å; I156-V175 HydrophobicContact CG2-CG1 4.1Å; I156-K176 CarbonylContact C-O 3.55Å; I156-K176 WeakPolarHBondContact CA-O 3.46Å; I156-F177 HydrophobicContact CG1-CD1 4.25Å; I156-F177 HydrophobicContact CG1-CE1 3.95Å; I156-F177 HydrophobicContact CG1-CZ 4.46Å |
| 157 | E | 89.6 | Confident | 92.5 | Very high | 93 Ų | 93 | 68.3 Ų | 68.3 | 44% | 0.435 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | -36.5 | 171.1 | -68.4 | -176 | -171.4 | 0 | 0 | 112.3 | R130 K176 | R130-E157 IonicContact CZ-OE1 3.84Å; R130-E157 VanDerWaalsContact NH1-CD 3.28Å; R130-E157 IonicContact NH1-OE1 2.64Å; R130-E157 PolarHBondContact NH1-OE1 2.85Å; R130-E157 IonicContact NH1-OE2 2.65Å; R130-E157 PolarHBondContact NH1-OE2 3.39Å; R130-E157 IonicContact NH2-OE1 3.1Å; E157-K176 HydrophobicContact CB-CD 4.23Å; E157-K176 PolarHBondContact N-O 2.82Å; E157-K176 WeakPolarHBondContact OE2-CD 3.29Å; E157-K176 WeakPolarHBondContact OE2-CE 3.18Å; E157-K176 IonicContact OE2-NZ 3.92Å; E157-K176 PolarHBondContact OE2-NZ 3.18Å |
| 158 | E | 89.6 | Confident | 92.2 | Very high | 62 Ų | 62 | 66.2 Ų | 66.2 | 29% | 0.29 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 135.2 | -171.9 | -163.2 | -163 | 143 | 0 | 0 | 110.4 | K131 I156 V175 K176 | K131-E158 WeakPolarHBondContact CE-OE1 3.47Å; K131-E158 IonicContact NZ-OE1 3.75Å; K131-E158 PolarHBondContact NZ-OE1 3.11Å; K131-E158 IonicContact NZ-OE2 3.66Å; K131-E158 PolarHBondContact NZ-OE2 3.27Å; I156-E158 VanDerWaalsContact CG2-O 3.23Å; I156-E158 WeakPolarHBondContact CG2-O 3.25Å; E158-V175 CarbonylContact O-C 3.58Å; E158-V175 WeakPolarHBondContact O-CA 3.38Å; E158-K176 HydrophobicContact CB-CB 3.63Å; E158-K176 HydrophobicContact CB-CD 4.2Å; E158-K176 PolarHBondContact N-O 2.77Å; E158-K176 PolarHBondContact O-N 2.71Å |
| 159 | C | 94.4 | Very high | 92.1 | Very high | 16 Ų | 16 | 60.2 Ų | 60.2 | 11% | 0.108 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 135.2 | 167.5 | -172.6 | 0 | 0 | 0 | 0 | 109.4 | E143 I156 F174 | E143-C159 PolarHBondContact O-SG 3.46Å; I156-C159 HydrophobicContact CG2-CB 4.16Å; C159-F174 WeakPolarHBondContact CA-O 3.34Å |
| 160 | T | 94.3 | Very high | 92.2 | Very high | 62 Ų | 62 | 65.5 Ų | 65.5 | 38% | 0.38 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 121.7 | -177 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | A173 F174 | T160-A173 CarbonylContact O-C 3.45Å; T160-A173 WeakPolarHBondContact O-CA 3.31Å; T160-A173 WeakPolarHBondContact O-CB 3.35Å; T160-F174 PolarHBondContact N-O 3.08Å; T160-F174 PolarHBondContact O-N 2.92Å |
| 161 | V | 94.6 | Very high | 92 | Very high | 5 Ų | 5 | 66 Ų | 66 | 3% | 0.03 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 131.9 | 173 | -179 | 0 | 0 | 0 | 0 | 108.6 | E143 V146 R163 S169 A173 | E143-V161 HydrophobicContact CG-CB 4.34Å; E143-V161 HydrophobicContact CG-CG2 3.94Å; E143-V161 VanDerWaalsContact OE1-CB 3.31Å; E143-V161 WeakPolarHBondContact OE1-CB 3.12Å; E143-V161 PolarHBondContact OE1-N 3.27Å; V146-V161 HydrophobicContact CG2-CG2 4.4Å; V161-R163 PolarHBondContact O-N 2.89Å; V161-S169 WeakPolarHBondContact CG1-OG 3.34Å; V161-A173 HydrophobicContact CG2-CB 4.18Å |
| 162 | L | 92.5 | Very high | 91.9 | Very high | 48 Ų | 48 | 61.9 Ų | 61.9 | 25% | 0.251 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 119.8 | 177.4 | -73 | 75.6 | 0 | 0 | 0 | 108.7 | K170 C172 F174 | L162-K170 HydrophobicContact CB-CB 4.42Å; L162-K170 HydrophobicContact CB-CD 4.39Å; L162-K170 VanDerWaalsContact O-CB 3.31Å; L162-K170 WeakPolarHBondContact O-CB 3.45Å; L162-K170 WeakPolarHBondContact O-CG 3.3Å; L162-K170 PolarHBondContact O-N 2.81Å; L162-C172 PolarHBondContact N-O 2.83Å; L162-F174 HydrophobicContact CD1-CD2 3.66Å; L162-F174 HydrophobicContact CD1-CE2 3.79Å; L162-F174 HydrophobicContact CD1-CG 4.35Å; L162-F174 HydrophobicContact CD2-CE2 4Å; L162-F174 HydrophobicContact CG-CD2 4.47Å; L162-F174 HydrophobicContact CG-CE2 4.25Å |
| 163 | R | 93.9 | Very high | 92 | Very high | 112 Ų | 112 | 56.4 Ų | 56.4 | 42% | 0.423 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 154.2 | -179.5 | -65.7 | 165.2 | -173.4 | -79.5 | 0.1 | 110.5 | E143 V161 A168 | E143-R163 IonicContact OE1-CZ 2.64Å; E143-R163 IonicContact OE1-NE 3.57Å; E143-R163 PolarHBondContact OE1-NE 2.78Å; E143-R163 VanDerWaalsContact OE1-NE 3.1Å; E143-R163 IonicContact OE1-NH2 3.99Å; E143-R163 PolarHBondContact OE1-NH2 2.86Å; E143-R163 IonicContact OE2-CZ 3.19Å; E143-R163 IonicContact OE2-NE 2.82Å; E143-R163 IonicContact OE2-NH2 3.25Å; E143-R163 PolarHBondContact OE2-NH2 2.81Å; V161-R163 PolarHBondContact O-N 2.89Å; R163-A168 CarbonylContact C-O 3.48Å; R163-A168 VanDerWaalsContact CA-O 3.25Å; R163-A168 WeakPolarHBondContact CA-O 3.21Å |
| 164 | G | 91 | Very high | 92 | Very high | 19 Ų | 19 | 55.6 Ų | 55.6 | 20% | 0.196 | 31% | 0.312 | C | S | . | . | trans | -79.2 | 176.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D166 G167 A168 | G164-D166 VanDerWaalsContact C-OD1 3.28Å; G164-D166 WeakPolarHBondContact CA-OD1 3.13Å; G164-D166 PolarHBondContact O-N 3.43Å; G164-G167 PolarHBondContact O-N 2.98Å; G164-A168 PolarHBondContact N-O 2.81Å | ||
| 165 | P | 89.1 | Confident | 92.2 | Very high | 150 Ų | 150 | 54.8 Ų | 54.8 | 97% | 0.974 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -15.7 | 173.2 | 31 | -35.8 | 0 | 0 | 0 | 112.8 | G167 | P165-G167 VanDerWaalsContact C-N 3.32Š|
| 166 | D | 90.8 | Very high | 92.3 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 66% | 0.663 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -0.7 | 169.7 | 60.2 | -12.8 | 0 | 0 | 0 | 113.4 | G164 A168 | G164-D166 VanDerWaalsContact C-OD1 3.28Å; G164-D166 WeakPolarHBondContact CA-OD1 3.13Å; G164-D166 PolarHBondContact O-N 3.43Å; D166-A168 PolarHBondContact O-N 2.83Å; D166-A168 PolarHBondContact OD1-N 3.07Å; D166-A168 WeakPolarHBondContact OD2-CB 3.42Å |
| 167 | G | 87.4 | Confident | 92.2 | Very high | 41 Ų | 41 | 48.9 Ų | 48.9 | 42% | 0.423 | 28% | 0.275 | S | S | . | . | S | Bend | trans | 76.3 | -7.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115 | G164 P165 | G164-G167 PolarHBondContact O-N 2.98Å; P165-G167 VanDerWaalsContact C-N 3.32Å |
| 168 | A | 90.2 | Very high | 91.9 | Very high | 46 Ų | 46 | 46.4 Ų | 46.4 | 38% | 0.38 | 27% | 0.268 | S | S | . | . | trans | -70.7 | 141.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R163 G164 D166 K170 | R163-A168 CarbonylContact C-O 3.48Å; R163-A168 VanDerWaalsContact CA-O 3.25Å; R163-A168 WeakPolarHBondContact CA-O 3.21Å; G164-A168 PolarHBondContact N-O 2.81Å; D166-A168 PolarHBondContact O-N 2.83Å; D166-A168 PolarHBondContact OD1-N 3.07Å; D166-A168 WeakPolarHBondContact OD2-CB 3.42Å; A168-K170 PolarHBondContact O-N 2.64Å | ||
| 169 | S | 91.9 | Very high | 91.5 | Very high | 8 Ų | 8 | 44.3 Ų | 44.3 | 6% | 0.056 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.2 | 133.4 | 176.2 | 178.3 | 0 | 0 | 0 | 0 | 111.2 | K139 V161 G171 | K139-S169 WeakPolarHBondContact O-CB 3.5Å; V161-S169 WeakPolarHBondContact CG1-OG 3.34Å; S169-G171 PolarHBondContact O-N 2.67Å; S169-G171 PolarHBondContact OG-N 3.3Å |
| 170 | K | 92.3 | Very high | 91 | Very high | 137 Ų | 137 | 48 Ų | 48 | 60% | 0.596 | 28% | 0.275 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81 | 4.5 | 175.2 | -58.5 | -176.1 | 68.9 | 173.8 | 0 | 112.8 | L162 A168 C172 | L162-K170 HydrophobicContact CB-CB 4.42Å; L162-K170 HydrophobicContact CB-CD 4.39Å; L162-K170 VanDerWaalsContact O-CB 3.31Å; L162-K170 WeakPolarHBondContact O-CB 3.45Å; L162-K170 WeakPolarHBondContact O-CG 3.3Å; L162-K170 PolarHBondContact O-N 2.81Å; A168-K170 PolarHBondContact O-N 2.64Å; K170-C172 VanDerWaalsContact C-N 3.35Å |
| 171 | G | 91.4 | Very high | 90.6 | Very high | 12 Ų | 12 | 48.2 Ų | 48.2 | 12% | 0.124 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.5 | 25.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | M136 L137 S169 | M136-G171 PolarHBondContact N-O 3.16Å; L137-G171 PolarHBondContact N-O 2.8Å; L137-G171 WeakPolarHBondContact O-CA 3.5Å; S169-G171 PolarHBondContact O-N 2.67Å; S169-G171 PolarHBondContact OG-N 3.3Å |
| 172 | C | 93.5 | Very high | 90.6 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 12% | 0.115 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 157.8 | 175.5 | 58.7 | 0 | 0 | 0 | 0 | 112.9 | F133 V134 L162 K170 | F133-C172 HydrophobicContact CE2-CB 3.59Å; F133-C172 HydrophobicContact CZ-CB 3.56Å; V134-C172 CarbonylContact O-C 3.51Å; V134-C172 WeakPolarHBondContact O-CA 3.29Å; V134-C172 WeakPolarHBondContact O-CB 3.49Å; L162-C172 PolarHBondContact N-O 2.83Å; K170-C172 VanDerWaalsContact C-N 3.35Å |
| 173 | A | 95.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 165.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V134 L137 V146 T160 V161 | V134-A173 HydrophobicContact CB-CB 4.44Å; V134-A173 PolarHBondContact N-O 3.02Å; V134-A173 PolarHBondContact O-N 3.41Å; L137-A173 HydrophobicContact CD1-CB 3.51Å; V146-A173 HydrophobicContact CG1-CB 4.3Å; V146-A173 HydrophobicContact CG2-CB 4.43Å; T160-A173 CarbonylContact O-C 3.45Å; T160-A173 WeakPolarHBondContact O-CA 3.31Å; T160-A173 WeakPolarHBondContact O-CB 3.35Å; V161-A173 HydrophobicContact CG2-CB 4.18Å |
| 174 | F | 95.4 | Very high | 90.5 | Very high | 31 Ų | 31 | 45.1 Ų | 45.1 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 142.6 | 158.2 | -66.5 | -65.7 | 0 | 0 | 0 | 110.3 | L132 F133 C159 T160 L162 A208 | L132-F174 VanDerWaalsContact O-CA 3.28Å; L132-F174 WeakPolarHBondContact O-CA 3.34Å; F133-F174 HydrophobicContact CB-CD1 4.28Å; F133-F174 HydrophobicContact CB-CE1 4.04Å; F133-F174 HydrophobicContact CD2-CD1 4.41Å; F133-F174 AromaticContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CE1 3.84Å; F133-F174 HydrophobicContact CD2-CZ 4.28Å; F133-F174 HydrophobicContact CG-CE1 4.45Å; C159-F174 WeakPolarHBondContact CA-O 3.34Å; T160-F174 PolarHBondContact N-O 3.08Å; T160-F174 PolarHBondContact O-N 2.92Å; L162-F174 HydrophobicContact CD1-CD2 3.66Å; L162-F174 HydrophobicContact CD1-CE2 3.79Å; L162-F174 HydrophobicContact CD1-CG 4.35Å; L162-F174 HydrophobicContact CD2-CE2 4Å; L162-F174 HydrophobicContact CG-CD2 4.47Å; L162-F174 HydrophobicContact CG-CE2 4.25Å; F174-A208 HydrophobicContact CD1-CB 3.88Å; F174-A208 HydrophobicContact CE1-CB 3.69Å |
| 175 | V | 95.3 | Very high | 90.7 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 136 | 171.7 | -179.4 | 0 | 0 | 0 | 0 | 107.8 | K131 L132 V134 V146 F150 I156 E158 F177 | K131-V175 CarbonylContact C-O 3.52Å; K131-V175 WeakPolarHBondContact CA-O 3.17Å; L132-V175 PolarHBondContact N-O 3.12Å; L132-V175 PolarHBondContact O-N 3.08Å; V134-V175 HydrophobicContact CG2-CB 4.46Å; V134-V175 HydrophobicContact CG2-CG2 3.85Å; V146-V175 HydrophobicContact CG1-CG2 3.53Å; F150-V175 HydrophobicContact CB-CG1 4.04Å; F150-V175 HydrophobicContact CD1-CB 4.29Å; F150-V175 HydrophobicContact CD1-CG1 4.03Å; F150-V175 HydrophobicContact CD1-CG2 4.22Å; F150-V175 HydrophobicContact CD2-CG2 4.36Å; F150-V175 HydrophobicContact CG-CG1 4.17Å; F150-V175 HydrophobicContact CG-CG2 4.14Å; I156-V175 HydrophobicContact CD1-CG1 4.08Å; I156-V175 HydrophobicContact CG1-CG1 4.06Å; I156-V175 HydrophobicContact CG2-CG1 4.1Å; E158-V175 CarbonylContact O-C 3.58Å; E158-V175 WeakPolarHBondContact O-CA 3.38Å; V175-F177 HydrophobicContact CG1-CD2 4.41Å; V175-F177 HydrophobicContact CG1-CE2 4.02Å; V175-F177 HydrophobicContact CG1-CZ 4.35Å |
| 176 | K | 92.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 39 Ų | 39 | 19% | 0.191 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 123.7 | 178.2 | -169 | -167 | 178.6 | -156.3 | 0 | 110.1 | R130 K131 I156 E157 E158 | R130-K176 WeakPolarHBondContact O-CA 3.29Å; K131-K176 HydrophobicContact CB-CG 4.35Å; K131-K176 HydrophobicContact CG-CB 4.39Å; I156-K176 CarbonylContact C-O 3.55Å; I156-K176 WeakPolarHBondContact CA-O 3.46Å; E157-K176 HydrophobicContact CB-CD 4.23Å; E157-K176 PolarHBondContact N-O 2.82Å; E157-K176 WeakPolarHBondContact OE2-CD 3.29Å; E157-K176 WeakPolarHBondContact OE2-CE 3.18Å; E157-K176 IonicContact OE2-NZ 3.92Å; E157-K176 PolarHBondContact OE2-NZ 3.18Å; E158-K176 HydrophobicContact CB-CB 3.63Å; E158-K176 HydrophobicContact CB-CD 4.2Å; E158-K176 PolarHBondContact N-O 2.77Å; E158-K176 PolarHBondContact O-N 2.71Å |
| 177 | F | 91.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 158.2 | 178 | -74.5 | -82.6 | 0 | 0 | 0 | 112.6 | R130 L132 F150 F153 Q155 I156 V175 S179 E182 A183 A186 | R130-F177 PolarHBondContact NH1-O 2.74Å; R130-F177 PolarHBondContact O-N 2.9Å; L132-F177 HydrophobicContact CD1-CD2 4.19Å; L132-F177 HydrophobicContact CD1-CE2 3.76Å; F150-F177 HydrophobicContact CB-CZ 3.99Å; F150-F177 AromaticContact CD1-CE2 3.94Å; F150-F177 HydrophobicContact CD1-CE2 3.94Å; F150-F177 AromaticContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CD1-CZ 3.91Å; F150-F177 HydrophobicContact CG-CZ 4.47Å; F150-F177 WeakPolarHBondContact O-CE1 3.41Å; F150-F177 WeakPolarHBondContact O-CZ 3.49Å; F153-F177 HydrophobicContact CB-CE1 4.23Å; F153-F177 HydrophobicContact CB-CZ 4.1Å; Q155-F177 CarbonylContact O-C 3.55Å; Q155-F177 VanDerWaalsContact O-CA 3.31Å; Q155-F177 WeakPolarHBondContact O-CA 3.2Å; I156-F177 HydrophobicContact CG1-CD1 4.25Å; I156-F177 HydrophobicContact CG1-CE1 3.95Å; I156-F177 HydrophobicContact CG1-CZ 4.46Å; V175-F177 HydrophobicContact CG1-CD2 4.41Å; V175-F177 HydrophobicContact CG1-CE2 4.02Å; V175-F177 HydrophobicContact CG1-CZ 4.35Å; F177-S179 VanDerWaalsContact C-N 3.26Å; F177-S179 WeakPolarHBondContact CB-O 3.48Å; F177-S179 PolarHBondContact O-N 3.42Å; F177-E182 HydrophobicContact CB-CB 3.94Å; F177-E182 HydrophobicContact CD1-CB 3.7Å; F177-E182 HydrophobicContact CE1-CB 4.35Å; F177-E182 HydrophobicContact CG-CB 3.88Å; F177-A183 HydrophobicContact CB-CB 4.29Å; F177-A183 HydrophobicContact CD2-CB 3.83Å; F177-A183 HydrophobicContact CG-CB 4.41Å; F177-A186 HydrophobicContact CE2-CB 3.69Å; F177-A186 HydrophobicContact CZ-CB 3.79Å |
| 178 | S | 83.4 | Confident | 91.4 | Very high | 41 Ų | 41 | 37.7 Ų | 37.7 | 29% | 0.287 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -56.2 | -35.6 | 169.4 | 31.2 | 0 | 0 | 0 | 0 | 113.5 | R130 Q155 E182 | R130-S178 WeakPolarHBondContact CD-O 3.48Å; R130-S178 PolarHBondContact NH1-O 2.89Å; Q155-S178 WeakPolarHBondContact CB-OG 3.41Å; Q155-S178 PolarHBondContact O-N 2.91Å; Q155-S178 PolarHBondContact O-OG 3.09Å; S178-E182 VanDerWaalsContact OG-CD 3.23Å; S178-E182 PolarHBondContact OG-OE1 2.89Å; S178-E182 VanDerWaalsContact OG-OE1 3.04Å; S178-E182 PolarHBondContact OG-OE2 3.27Å |
| 179 | S | 81.2 | Confident | 91.6 | Very high | 17 Ų | 17 | 39 Ų | 39 | 12% | 0.119 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -132.9 | 163.1 | -179.4 | 77.8 | 0 | 0 | 0 | 0 | 113.8 | F177 A181 E182 A183 | F177-S179 VanDerWaalsContact C-N 3.26Å; F177-S179 WeakPolarHBondContact CB-O 3.48Å; F177-S179 PolarHBondContact O-N 3.42Å; S179-A181 VanDerWaalsContact C-N 3.34Å; S179-E182 WeakPolarHBondContact CA-OE2 3.34Å; S179-E182 WeakPolarHBondContact CB-OE2 3.48Å; S179-E182 PolarHBondContact N-OE2 2.89Å; S179-E182 VanDerWaalsContact OG-CD 3.3Å; S179-E182 VanDerWaalsContact OG-CG 3.29Å; S179-E182 WeakPolarHBondContact OG-CG 3.38Å; S179-E182 PolarHBondContact OG-N 3.04Å; S179-E182 PolarHBondContact OG-OE2 3.24Å; S179-A183 PolarHBondContact O-N 3.11Å |
| 180 | H | 84.3 | Confident | 91.6 | Very high | 93 Ų | 93 | 38.8 Ų | 38.8 | 43% | 0.431 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -70.4 | -30.6 | 174.6 | 174.1 | 69.4 | 0 | 0 | 0 | 112.2 | D129 R130 A183 Q184 F207 | D129-H180 PolarHBondContact O-ND1 2.69Å; R130-H180 HydrophobicContact CG-CB 4.37Å; H180-A183 PolarHBondContact O-N 2.74Å; H180-Q184 WeakPolarHBondContact O-CB 3.5Å; H180-Q184 PolarHBondContact O-N 2.84Å; H180-F207 AromaticContact CE1-CZ 3.46Å; H180-F207 VanDerWaalsContact CE1-CZ 3.46Å; H180-F207 WeakPolarHBondContact CE1-CZ 3.17Å; H180-F207 AromaticContact ND1-CE1 3.85Å; H180-F207 AromaticContact ND1-CZ 3.76Å |
| 181 | A | 86.1 | Confident | 91.6 | Very high | 67 Ų | 67 | 37.1 Ų | 37.1 | 55% | 0.554 | 21% | 0.214 | S | C | * | . | H | α-helix | trans | -66.9 | -44.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | S179 Q184 A185 | S179-A181 VanDerWaalsContact C-N 3.34Å; A181-Q184 PolarHBondContact O-N 3.38Å; A181-A185 WeakPolarHBondContact O-CB 3.43Å; A181-A185 PolarHBondContact O-N 3.11Å |
| 182 | E | 93.2 | Very high | 91.3 | Very high | 40 Ų | 40 | 38.5 Ų | 38.5 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.4 | -45.4 | 173.4 | -65.5 | 162.7 | 116.2 | 0 | 0 | 111 | F153 G154 Q155 F177 S178 S179 Q184 A185 A186 | F153-E182 WeakPolarHBondContact O-CA 3.46Å; F153-E182 WeakPolarHBondContact O-CB 3.45Å; F153-E182 WeakPolarHBondContact O-CG 3.37Å; G154-E182 WeakPolarHBondContact CA-OE1 3.04Å; Q155-E182 PolarHBondContact N-OE1 3.35Å; F177-E182 HydrophobicContact CB-CB 3.94Å; F177-E182 HydrophobicContact CD1-CB 3.7Å; F177-E182 HydrophobicContact CE1-CB 4.35Å; F177-E182 HydrophobicContact CG-CB 3.88Å; S178-E182 VanDerWaalsContact OG-CD 3.23Å; S178-E182 PolarHBondContact OG-OE1 2.89Å; S178-E182 VanDerWaalsContact OG-OE1 3.04Å; S178-E182 PolarHBondContact OG-OE2 3.27Å; S179-E182 WeakPolarHBondContact CA-OE2 3.34Å; S179-E182 WeakPolarHBondContact CB-OE2 3.48Å; S179-E182 PolarHBondContact N-OE2 2.89Å; S179-E182 VanDerWaalsContact OG-CD 3.3Å; S179-E182 VanDerWaalsContact OG-CG 3.29Å; S179-E182 WeakPolarHBondContact OG-CG 3.38Å; S179-E182 PolarHBondContact OG-N 3.04Å; S179-E182 PolarHBondContact OG-OE2 3.24Å; E182-Q184 PolarHBondContact O-N 3.34Å; E182-A185 PolarHBondContact O-N 2.73Å; E182-A186 PolarHBondContact O-N 3.47Å |
| 183 | A | 92.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | L132 F177 S179 H180 A186 I187 F207 | L132-A183 HydrophobicContact CD1-CB 4.43Å; L132-A183 HydrophobicContact CD2-CB 4.04Å; L132-A183 HydrophobicContact CG-CB 4.24Å; F177-A183 HydrophobicContact CB-CB 4.29Å; F177-A183 HydrophobicContact CD2-CB 3.83Å; F177-A183 HydrophobicContact CG-CB 4.41Å; S179-A183 PolarHBondContact O-N 3.11Å; H180-A183 PolarHBondContact O-N 2.74Å; A183-A186 PolarHBondContact O-N 2.92Å; A183-I187 WeakPolarHBondContact O-CG1 3.33Å; A183-I187 PolarHBondContact O-N 2.77Å; A183-F207 HydrophobicContact CB-CE1 4.12Å |
| 184 | Q | 91.9 | Very high | 89.8 | Confident | 60 Ų | 60 | 44.3 Ų | 44.3 | 28% | 0.28 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -69.7 | -37.1 | 176.9 | -171.4 | 62.8 | 65.6 | 0 | 0 | 112.2 | H180 A181 E182 I187 N188 | H180-Q184 WeakPolarHBondContact O-CB 3.5Å; H180-Q184 PolarHBondContact O-N 2.84Å; A181-Q184 PolarHBondContact O-N 3.38Å; E182-Q184 PolarHBondContact O-N 3.34Å; Q184-I187 PolarHBondContact O-N 2.72Å; Q184-N188 PolarHBondContact NE2-OD1 2.64Å; Q184-N188 WeakPolarHBondContact O-CB 3.37Å; Q184-N188 PolarHBondContact O-N 3.03Å; Q184-N188 PolarHBondContact O-OD1 3.11Å |
| 185 | A | 94.4 | Very high | 89.2 | Confident | 40 Ų | 40 | 46.4 Ų | 46.4 | 33% | 0.331 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | F153 A181 E182 I187 N188 S189 | F153-A185 HydrophobicContact CD1-CB 4.45Å; A181-A185 WeakPolarHBondContact O-CB 3.43Å; A181-A185 PolarHBondContact O-N 3.11Å; E182-A185 PolarHBondContact O-N 2.73Å; A185-I187 PolarHBondContact O-N 3.19Å; A185-N188 PolarHBondContact O-N 2.87Å; A185-S189 PolarHBondContact O-N 3.46Å; A185-S189 PolarHBondContact O-OG 2.79Å |
| 186 | A | 95.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.1 Ų | 47.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61 | -40 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L132 F150 F153 F177 E182 A183 L190 | L132-A186 HydrophobicContact CD1-CB 3.9Å; F150-A186 HydrophobicContact CD1-CB 4.03Å; F150-A186 HydrophobicContact CE1-CB 4.16Å; F153-A186 HydrophobicContact CB-CB 3.87Å; F153-A186 HydrophobicContact CD1-CB 4.49Å; F153-A186 HydrophobicContact CD2-CB 4.2Å; F153-A186 HydrophobicContact CG-CB 3.91Å; F177-A186 HydrophobicContact CE2-CB 3.69Å; F177-A186 HydrophobicContact CZ-CB 3.79Å; E182-A186 PolarHBondContact O-N 3.47Å; A183-A186 PolarHBondContact O-N 2.92Å; A186-L190 VanDerWaalsContact O-CB 3.27Å; A186-L190 WeakPolarHBondContact O-CB 3.48Å; A186-L190 PolarHBondContact O-N 3.02Å |
| 187 | I | 94.3 | Very high | 87.5 | Confident | 21 Ų | 21 | 49.4 Ų | 49.4 | 11% | 0.108 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.7 | -54.3 | 170.7 | -68.5 | 165.5 | 0 | 0 | 0 | 110.1 | L132 A183 Q184 A185 S189 L190 H191 V205 F207 | L132-I187 HydrophobicContact CD1-CG1 4.24Å; L132-I187 HydrophobicContact CD2-CD1 3.59Å; L132-I187 HydrophobicContact CD2-CG1 3.7Å; A183-I187 WeakPolarHBondContact O-CG1 3.33Å; A183-I187 PolarHBondContact O-N 2.77Å; Q184-I187 PolarHBondContact O-N 2.72Å; A185-I187 PolarHBondContact O-N 3.19Å; I187-S189 PolarHBondContact O-N 2.86Å; I187-L190 PolarHBondContact O-N 3.07Å; I187-H191 HydrophobicContact CG2-CB 4.39Å; I187-H191 WeakPolarHBondContact O-CB 3.37Å; I187-H191 PolarHBondContact O-N 2.95Å; I187-V205 HydrophobicContact CG1-CG1 4.02Å; I187-F207 HydrophobicContact CD1-CD1 4.09Å; I187-F207 HydrophobicContact CD1-CD2 3.75Å; I187-F207 HydrophobicContact CD1-CE1 3.79Å; I187-F207 HydrophobicContact CD1-CE2 3.44Å; I187-F207 VanDerWaalsContact CD1-CE2 3.44Å; I187-F207 HydrophobicContact CD1-CG 4.06Å; I187-F207 HydrophobicContact CD1-CZ 3.45Å; I187-F207 VanDerWaalsContact CD1-CZ 3.45Å |
| 188 | N | 94.1 | Very high | 86.4 | Confident | 117 Ų | 117 | 51.9 Ų | 51.9 | 63% | 0.626 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -61.8 | -28.4 | -171.9 | -68.4 | -1.6 | 0 | 0 | 0 | 113.5 | Q184 A185 | Q184-N188 PolarHBondContact NE2-OD1 2.64Å; Q184-N188 WeakPolarHBondContact O-CB 3.37Å; Q184-N188 PolarHBondContact O-N 3.03Å; Q184-N188 PolarHBondContact O-OD1 3.11Å; A185-N188 PolarHBondContact O-N 2.87Å |
| 189 | S | 93 | Very high | 86.1 | Confident | 73 Ų | 73 | 50.9 Ų | 50.9 | 51% | 0.51 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -99.4 | -28.8 | -179 | -62.5 | 0 | 0 | 0 | 0 | 115 | A185 I187 | A185-S189 PolarHBondContact O-N 3.46Å; A185-S189 PolarHBondContact O-OG 2.79Å; I187-S189 PolarHBondContact O-N 2.86Å |
| 190 | L | 92.6 | Very high | 85.7 | Confident | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -104.2 | -21.7 | -174.9 | -60.4 | 179.4 | 0 | 0 | 0 | 114.1 | L149 F150 F153 A186 I187 G192 Q194 V205 | L149-L190 HydrophobicContact CD1-CD1 4.32Å; L149-L190 HydrophobicContact CD1-CD2 3.87Å; L149-L190 HydrophobicContact CD2-CD1 4.32Å; L149-L190 HydrophobicContact CG-CD1 4.01Å; L149-L190 HydrophobicContact CG-CD2 4.42Å; F150-L190 HydrophobicContact CD1-CD1 4.03Å; F150-L190 HydrophobicContact CD2-CD1 3.97Å; F150-L190 HydrophobicContact CE1-CD1 3.71Å; F150-L190 HydrophobicContact CE2-CD1 3.65Å; F150-L190 HydrophobicContact CG-CD1 4.15Å; F150-L190 HydrophobicContact CZ-CD1 3.5Å; F153-L190 HydrophobicContact CD2-CD1 4.15Å; F153-L190 HydrophobicContact CE2-CD1 3.66Å; F153-L190 HydrophobicContact CE2-CD2 3.9Å; F153-L190 HydrophobicContact CE2-CG 3.76Å; F153-L190 HydrophobicContact CZ-CD1 4.33Å; F153-L190 HydrophobicContact CZ-CD2 3.94Å; F153-L190 HydrophobicContact CZ-CG 3.92Å; A186-L190 VanDerWaalsContact O-CB 3.27Å; A186-L190 WeakPolarHBondContact O-CB 3.48Å; A186-L190 PolarHBondContact O-N 3.02Å; I187-L190 PolarHBondContact O-N 3.07Å; L190-G192 PolarHBondContact O-N 2.87Å; L190-Q194 HydrophobicContact CD2-CB 4.32Å; L190-V205 HydrophobicContact CB-CG2 3.75Å |
| 191 | H | 91.3 | Very high | 85.6 | Confident | 102 Ų | 102 | 54.8 Ų | 54.8 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 118.6 | 178.9 | -174.3 | 102.3 | 0 | 0 | 0 | 111.2 | I187 G193 V205 | I187-H191 HydrophobicContact CG2-CB 4.39Å; I187-H191 WeakPolarHBondContact O-CB 3.37Å; I187-H191 PolarHBondContact O-N 2.95Å; H191-G193 PolarHBondContact O-N 2.82Å; H191-V205 HydrophobicContact CB-CB 4.29Å; H191-V205 PolarHBondContact ND1-N 3.32Å; H191-V205 PolarHBondContact ND1-O 3.49Å |
| 192 | G | 85.5 | Confident | 85.8 | Confident | 41 Ų | 41 | 53.8 Ų | 53.8 | 42% | 0.423 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | -25.7 | 177 | 0 | 0 | 0 | 0 | 0 | 115.6 | L190 S202 L203 | L190-G192 PolarHBondContact O-N 2.87Å; G192-S202 WeakPolarHBondContact O-CB 3.35Å; G192-S202 PolarHBondContact O-OG 2.96Å; G192-L203 PolarHBondContact N-O 3.16Å |
| 193 | G | 79.1 | Confident | 85.8 | Confident | 68 Ų | 68 | 51.9 Ų | 51.9 | 70% | 0.701 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -18.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | H191 | H191-G193 PolarHBondContact O-N 2.82Š|
| 194 | Q | 79.2 | Confident | 85.8 | Confident | 70 Ų | 70 | 54.5 Ų | 54.5 | 33% | 0.327 | 36% | 0.363 | S | S | . | . | trans | -127.2 | 141.6 | -176.7 | -154.5 | -158.8 | 66 | 0 | 0 | 112.6 | L149 L190 S202 L203 | L149-Q194 VanDerWaalsContact CD1-NE2 3.27Å; L149-Q194 VanDerWaalsContact CD1-OE1 3.24Å; L149-Q194 VanDerWaalsContact CD2-OE1 3.29Å; L190-Q194 HydrophobicContact CD2-CB 4.32Å; Q194-S202 CarbonylContact O-C 3.53Å; Q194-S202 VanDerWaalsContact O-CA 3.25Å; Q194-S202 WeakPolarHBondContact O-CA 3.44Å; Q194-L203 WeakPolarHBondContact O-CG 2.91Å; Q194-L203 PolarHBondContact O-N 3.01Å | ||
| 195 | T | 81.4 | Confident | 85.9 | Confident | 75 Ų | 75 | 51.6 Ų | 51.6 | 46% | 0.46 | 35% | 0.35 | S | S | . | . | trans | -119.3 | 124.2 | 174.3 | -60 | 0 | 0 | 0 | 0 | 109.5 | A199 S202 | T195-A199 HydrophobicContact CG2-CB 4.1Å; T195-S202 WeakPolarHBondContact OG1-CA 3.27Å; T195-S202 PolarHBondContact OG1-N 2.78Å | ||
| 196 | M | 78.3 | Confident | 85.9 | Confident | 16 Ų | 16 | 53.3 Ų | 53.3 | 8% | 0.079 | 35% | 0.35 | C | S | . | . | trans | -76.3 | 152.1 | 178 | -81.4 | -94.2 | -105.8 | 0 | 0 | 112.1 | L137 Q141 D145 V146 L149 G198 A199 L203 | L137-M196 HydrophobicContact CD2-CE 3.75Å; L137-M196 HydrophobicContact CD2-CG 4.29Å; Q141-M196 HydrophobicContact CB-CE 4.31Å; Q141-M196 HydrophobicContact CG-CB 4.4Å; Q141-M196 HydrophobicContact CG-CE 4Å; Q141-M196 VanDerWaalsContact OE1-CE 3.24Å; D145-M196 HydrophobicContact CB-CE 4.31Å; V146-M196 HydrophobicContact CG2-CE 4.2Å; L149-M196 HydrophobicContact CD2-CE 4.11Å; L149-M196 HydrophobicContact CD2-CG 4.17Å; L149-M196 HydrophobicContact CD2-SD 3.89Å; M196-G198 PolarHBondContact O-N 3.33Å; M196-A199 HydrophobicContact CB-CB 4.28Å; M196-A199 WeakPolarHBondContact O-CB 3.47Å; M196-A199 PolarHBondContact O-N 3.43Å; M196-L203 HydrophobicContact CB-CD2 4.42Å; M196-L203 HydrophobicContact CG-CD1 3.97Å; M196-L203 HydrophobicContact CG-CD2 3.98Å; M196-L203 HydrophobicContact CG-CG 4.33Å | ||
| 197 | P | 73.7 | Confident | 85.8 | Confident | 92 Ų | 92 | 56.6 Ų | 56.6 | 60% | 0.597 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 127.1 | 174 | -26.6 | 35.1 | 0 | 0 | 0 | 112.4 | Q141 A199 | Q141-P197 PolarHBondContact NE2-O 3.44Å; P197-A199 VanDerWaalsContact C-N 3.3Å; P197-A199 PolarHBondContact O-N 2.7Å |
| 198 | G | 70.1 | Confident | 85.5 | Confident | 52 Ų | 52 | 56.2 Ų | 56.2 | 54% | 0.536 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 75.6 | 10.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | G138 M196 | G138-G198 WeakPolarHBondContact CA-O 3.39Å; M196-G198 PolarHBondContact O-N 3.33Å |
| 199 | A | 76.3 | Confident | 85 | Confident | 20 Ų | 20 | 52.7 Ų | 52.7 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | trans | -89.6 | 142.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | M136 T195 M196 P197 S201 | M136-A199 WeakPolarHBondContact O-CB 3.24Å; T195-A199 HydrophobicContact CG2-CB 4.1Å; M196-A199 HydrophobicContact CB-CB 4.28Å; M196-A199 WeakPolarHBondContact O-CB 3.47Å; M196-A199 PolarHBondContact O-N 3.43Å; P197-A199 VanDerWaalsContact C-N 3.3Å; P197-A199 PolarHBondContact O-N 2.7Å; A199-S201 VanDerWaalsContact C-N 3.34Å | ||
| 200 | S | 72.4 | Confident | 84.2 | Confident | 128 Ų | 128 | 50.3 Ų | 50.3 | 90% | 0.895 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -86.5 | -1.4 | 178.1 | -48 | 0 | 0 | 0 | 0 | 113.8 | ||
| 201 | S | 83.7 | Confident | 83 | Confident | 64 Ų | 64 | 55 Ų | 55 | 45% | 0.448 | 35% | 0.353 | S | S | . | . | S | Bend | trans | -162.1 | 161.2 | -172.1 | -61.9 | 0 | 0 | 0 | 0 | 110.4 | A199 | A199-S201 VanDerWaalsContact C-N 3.34Š|
| 202 | S | 89.8 | Confident | 81.8 | Confident | 46 Ų | 46 | 56.7 Ų | 56.7 | 32% | 0.322 | 36% | 0.359 | S | S | . | . | trans | -61 | 153.1 | 172.1 | -51.7 | 0 | 0 | 0 | 0 | 112.6 | M136 G192 Q194 T195 | M136-S202 WeakPolarHBondContact CB-O 3.18Å; G192-S202 WeakPolarHBondContact O-CB 3.35Å; G192-S202 PolarHBondContact O-OG 2.96Å; Q194-S202 CarbonylContact O-C 3.53Å; Q194-S202 VanDerWaalsContact O-CA 3.25Å; Q194-S202 WeakPolarHBondContact O-CA 3.44Å; T195-S202 WeakPolarHBondContact OG1-CA 3.27Å; T195-S202 PolarHBondContact OG1-N 2.78Å | ||
| 203 | L | 92.6 | Very high | 81.3 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 36% | 0.357 | C | S | . | . | trans | -64.6 | 136.6 | 179.7 | -62.1 | -179.4 | 0 | 0 | 0 | 112.4 | G135 L137 L149 G192 Q194 M196 V205 | G135-L203 WeakPolarHBondContact O-CA 3.39Å; L137-L203 HydrophobicContact CD2-CD2 3.7Å; L137-L203 HydrophobicContact CG-CD2 4.31Å; L149-L203 HydrophobicContact CD2-CD1 3.55Å; G192-L203 PolarHBondContact N-O 3.16Å; Q194-L203 WeakPolarHBondContact O-CG 2.91Å; Q194-L203 PolarHBondContact O-N 3.01Å; M196-L203 HydrophobicContact CB-CD2 4.42Å; M196-L203 HydrophobicContact CG-CD1 3.97Å; M196-L203 HydrophobicContact CG-CD2 3.98Å; M196-L203 HydrophobicContact CG-CG 4.33Å; L203-V205 HydrophobicContact CB-CG2 4.02Å | ||
| 204 | V | 92.9 | Very high | 81.1 | Confident | 54 Ų | 54 | 60.3 Ų | 60.3 | 33% | 0.327 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 86.5 | 175.2 | -179 | 0 | 0 | 0 | 0 | 108.3 | G135 M136 | G135-V204 PolarHBondContact N-O 3.4Å; G135-V204 PolarHBondContact O-N 2.9Å; M136-V204 HydrophobicContact CB-CG2 4.5Å; M136-V204 HydrophobicContact CG-CG2 3.71Å |
| 205 | V | 94.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 36% | 0.355 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 120.6 | -179.1 | -171.2 | 0 | 0 | 0 | 0 | 109.8 | L132 F133 V134 F150 I187 L190 H191 L203 | L132-V205 HydrophobicContact CB-CG1 4.48Å; L132-V205 HydrophobicContact CD1-CG1 3.79Å; F133-V205 WeakPolarHBondContact O-CA 3.47Å; V134-V205 HydrophobicContact CG1-CG2 4.38Å; F150-V205 HydrophobicContact CE1-CG1 3.84Å; F150-V205 HydrophobicContact CE1-CG2 4.42Å; F150-V205 HydrophobicContact CZ-CG1 4.06Å; F150-V205 HydrophobicContact CZ-CG2 3.83Å; I187-V205 HydrophobicContact CG1-CG1 4.02Å; L190-V205 HydrophobicContact CB-CG2 3.75Å; H191-V205 HydrophobicContact CB-CB 4.29Å; H191-V205 PolarHBondContact ND1-N 3.32Å; H191-V205 PolarHBondContact ND1-O 3.49Å; L203-V205 HydrophobicContact CB-CG2 4.02Å |
| 206 | K | 93.6 | Very high | 80.4 | Confident | 76 Ų | 76 | 62.4 Ų | 62.4 | 33% | 0.33 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 167.6 | 178.3 | 59.1 | 152.7 | -171.1 | 160.7 | 0 | 110.6 | L132 F133 D209 | L132-K206 CarbonylContact C-O 3.45Å; L132-K206 WeakPolarHBondContact CA-O 3.3Å; F133-K206 HydrophobicContact CB-CG 4.27Å; F133-K206 HydrophobicContact CD1-CG 4.22Å; F133-K206 PolarHBondContact N-O 2.87Å; F133-K206 PolarHBondContact O-N 3.41Å; K206-D209 IonicContact NZ-OD1 3.73Å; K206-D209 PolarHBondContact NZ-OD1 2.69Å |
| 207 | F | 92.8 | Very high | 80.4 | Confident | 68 Ų | 68 | 68 Ų | 68 | 30% | 0.298 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58.5 | 144.9 | 165.9 | -62.8 | -66.1 | 0 | 0 | 0 | 111.3 | D129 L132 H180 A183 I187 | D129-F207 WeakPolarHBondContact O-CE1 3.38Å; L132-F207 HydrophobicContact CD2-CD1 3.69Å; L132-F207 HydrophobicContact CD2-CE1 3.87Å; L132-F207 HydrophobicContact CD2-CG 4.43Å; H180-F207 AromaticContact CE1-CZ 3.46Å; H180-F207 VanDerWaalsContact CE1-CZ 3.46Å; H180-F207 WeakPolarHBondContact CE1-CZ 3.17Å; H180-F207 AromaticContact ND1-CE1 3.85Å; H180-F207 AromaticContact ND1-CZ 3.76Å; A183-F207 HydrophobicContact CB-CE1 4.12Å; I187-F207 HydrophobicContact CD1-CD1 4.09Å; I187-F207 HydrophobicContact CD1-CD2 3.75Å; I187-F207 HydrophobicContact CD1-CE1 3.79Å; I187-F207 HydrophobicContact CD1-CE2 3.44Å; I187-F207 VanDerWaalsContact CD1-CE2 3.44Å; I187-F207 HydrophobicContact CD1-CG 4.06Å; I187-F207 HydrophobicContact CD1-CZ 3.45Å; I187-F207 VanDerWaalsContact CD1-CZ 3.45Å |
| 208 | A | 89.5 | Confident | 80.6 | Confident | 14 Ų | 14 | 71.4 Ų | 71.4 | 12% | 0.116 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -81.3 | 128.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111 | K131 F133 F174 T210 | K131-A208 HydrophobicContact CB-CB 4.32Å; K131-A208 HydrophobicContact CG-CB 4.15Å; K131-A208 WeakPolarHBondContact O-CB 3.01Å; K131-A208 PolarHBondContact O-N 2.99Å; F133-A208 HydrophobicContact CB-CB 4.36Å; F174-A208 HydrophobicContact CD1-CB 3.88Å; F174-A208 HydrophobicContact CE1-CB 3.69Å; A208-T210 PolarHBondContact O-N 2.8Å |
| 209 | D | 82.8 | Confident | 80.7 | Confident | 42 Ų | 42 | 74.6 Ų | 74.6 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -50.5 | 126 | 170.2 | -57.7 | 25.3 | 0 | 0 | 0 | 110.2 | K206 R217 | K206-D209 IonicContact NZ-OD1 3.73Å; K206-D209 PolarHBondContact NZ-OD1 2.69Å; D209-R217 IonicContact OD1-NH1 2.69Å; D209-R217 IonicContact OD2-CZ 3.96Å; D209-R217 IonicContact OD2-NH1 2.78Å; D209-R217 PolarHBondContact OD2-NH1 2.97Å |
| 210 | T | 75.8 | Confident | 80.7 | Confident | 24 Ų | 24 | 79.7 Ų | 79.7 | 15% | 0.147 | 40% | 0.4 | C | S | . | . | P | Polyproline II helix | trans | -60.7 | 154.5 | 178.2 | 62.9 | 0 | 0 | 0 | 0 | 111.1 | E128 A208 K212 E213 R214 | E128-T210 HydrophobicContact CB-CG2 3.95Å; E128-T210 HydrophobicContact CG-CG2 3.76Å; E128-T210 WeakPolarHBondContact OE1-CB 3.26Å; E128-T210 WeakPolarHBondContact OE1-CG2 3.39Å; A208-T210 PolarHBondContact O-N 2.8Å; T210-K212 PolarHBondContact O-N 2.71Å; T210-K212 VanDerWaalsContact O-N 3.16Å; T210-E213 WeakPolarHBondContact CB-OE2 3.24Å; T210-E213 VanDerWaalsContact CG2-OE2 3.3Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.22Å; T210-E213 PolarHBondContact N-OE2 3.25Å; T210-E213 PolarHBondContact O-N 2.96Å; T210-E213 VanDerWaalsContact O-N 3.12Å; T210-E213 WeakPolarHBondContact OG1-CB 3.2Å; T210-E213 VanDerWaalsContact OG1-CG 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.47Å; T210-E213 PolarHBondContact OG1-N 3.46Å; T210-E213 VanDerWaalsContact OG1-N 3.1Å; T210-E213 PolarHBondContact OG1-OE2 3.35Å; T210-R214 WeakPolarHBondContact O-CB 3.44Å; T210-R214 PolarHBondContact O-N 3.26Å |
| 211 | D | 68.4 | Low | 80.6 | Confident | 102 Ų | 102 | 80.8 Ų | 80.8 | 55% | 0.545 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.4 | -21.7 | 177.4 | -77.1 | -68.1 | 0 | 0 | 0 | 112.7 | R214 T215 | D211-R214 IonicContact OD1-CZ 3.05Å; D211-R214 VanDerWaalsContact OD1-CZ 3.25Å; D211-R214 IonicContact OD1-NE 2.71Å; D211-R214 IonicContact OD1-NH1 3.69Å; D211-R214 PolarHBondContact OD1-NH1 2.62Å; D211-R214 IonicContact OD1-NH2 3.68Å; D211-T215 VanDerWaalsContact O-CB 3.3Å; D211-T215 WeakPolarHBondContact O-CB 3.11Å; D211-T215 PolarHBondContact O-N 3.27Å; D211-T215 PolarHBondContact O-OG1 2.82Å |
| 212 | K | 66.4 | Low | 79.6 | Confident | 139 Ų | 139 | 83 Ų | 83 | 60% | 0.604 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -67 | -52.8 | 170 | -62.9 | 161.3 | -168.3 | 139.7 | 0 | 110.8 | E128 T210 T215 L216 | E128-K212 IonicContact OE1-NZ 3.39Å; T210-K212 PolarHBondContact O-N 2.71Å; T210-K212 VanDerWaalsContact O-N 3.16Å; K212-T215 PolarHBondContact O-N 3.36Å; K212-L216 WeakPolarHBondContact O-CB 3.44Å; K212-L216 PolarHBondContact O-N 2.72Å |
| 213 | E | 73.3 | Confident | 78.1 | Confident | 82 Ų | 82 | 83.9 Ų | 83.9 | 38% | 0.383 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64 | -39.9 | 175.5 | -72.4 | 166.7 | 100.4 | 0 | 0 | 112.6 | T210 T215 L216 R217 | T210-E213 WeakPolarHBondContact CB-OE2 3.24Å; T210-E213 VanDerWaalsContact CG2-OE2 3.3Å; T210-E213 WeakPolarHBondContact CG2-OE2 3.22Å; T210-E213 PolarHBondContact N-OE2 3.25Å; T210-E213 PolarHBondContact O-N 2.96Å; T210-E213 VanDerWaalsContact O-N 3.12Å; T210-E213 WeakPolarHBondContact OG1-CB 3.2Å; T210-E213 VanDerWaalsContact OG1-CG 3.27Å; T210-E213 WeakPolarHBondContact OG1-CG 3.47Å; T210-E213 PolarHBondContact OG1-N 3.46Å; T210-E213 VanDerWaalsContact OG1-N 3.1Å; T210-E213 PolarHBondContact OG1-OE2 3.35Å; E213-T215 VanDerWaalsContact C-N 3.3Å; E213-T215 PolarHBondContact O-N 2.89Å; E213-L216 PolarHBondContact O-N 3.04Å; E213-R217 VanDerWaalsContact O-CB 3.3Å; E213-R217 WeakPolarHBondContact O-CB 3.35Å; E213-R217 WeakPolarHBondContact O-CG 3.3Å; E213-R217 PolarHBondContact O-N 2.89Å |
| 214 | R | 75 | Confident | 76.3 | Confident | 103 Ų | 103 | 87 Ų | 87 | 39% | 0.389 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.2 | -43.8 | 175.9 | -173.8 | -175.5 | -60.6 | 173.5 | -1.7 | 110.9 | T210 D211 R218 | T210-R214 WeakPolarHBondContact O-CB 3.44Å; T210-R214 PolarHBondContact O-N 3.26Å; D211-R214 IonicContact OD1-CZ 3.05Å; D211-R214 VanDerWaalsContact OD1-CZ 3.25Å; D211-R214 IonicContact OD1-NE 2.71Å; D211-R214 IonicContact OD1-NH1 3.69Å; D211-R214 PolarHBondContact OD1-NH1 2.62Å; D211-R214 IonicContact OD1-NH2 3.68Å; R214-R218 VanDerWaalsContact O-CB 3.27Å; R214-R218 WeakPolarHBondContact O-CB 3.08Å; R214-R218 PolarHBondContact O-N 3.04Å |
| 215 | T | 71.2 | Confident | 74.2 | Confident | 95 Ų | 95 | 92.4 Ų | 92.4 | 58% | 0.583 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 175.4 | -58.7 | 0 | 0 | 0 | 0 | 111 | D211 K212 E213 R218 M219 | D211-T215 VanDerWaalsContact O-CB 3.3Å; D211-T215 WeakPolarHBondContact O-CB 3.11Å; D211-T215 PolarHBondContact O-N 3.27Å; D211-T215 PolarHBondContact O-OG1 2.82Å; K212-T215 PolarHBondContact O-N 3.36Å; E213-T215 VanDerWaalsContact C-N 3.3Å; E213-T215 PolarHBondContact O-N 2.89Å; T215-R218 PolarHBondContact O-N 3.45Å; T215-M219 WeakPolarHBondContact O-CB 3.45Å; T215-M219 PolarHBondContact O-N 2.98Å |
| 216 | L | 76.2 | Confident | 72 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -38.6 | 178.4 | -175 | 62.5 | 0 | 0 | 0 | 113.2 | K212 E213 M219 H220 | K212-L216 WeakPolarHBondContact O-CB 3.44Å; K212-L216 PolarHBondContact O-N 2.72Å; E213-L216 PolarHBondContact O-N 3.04Å; L216-M219 HydrophobicContact CD1-CE 4.01Å; L216-M219 PolarHBondContact O-N 3.07Å; L216-H220 PolarHBondContact O-N 2.92Å; L216-H220 PolarHBondContact O-ND1 3.27Å |
| 217 | R | 77.3 | Confident | 69.8 | Low | 132 Ų | 132 | 98.8 Ų | 98.8 | 50% | 0.498 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -41.1 | 173.7 | -77.3 | -179.1 | 168.9 | -178.8 | -2.7 | 111.6 | D209 E213 M219 H220 Q221 | D209-R217 IonicContact OD1-NH1 2.69Å; D209-R217 IonicContact OD2-CZ 3.96Å; D209-R217 IonicContact OD2-NH1 2.78Å; D209-R217 PolarHBondContact OD2-NH1 2.97Å; E213-R217 VanDerWaalsContact O-CB 3.3Å; E213-R217 WeakPolarHBondContact O-CB 3.35Å; E213-R217 WeakPolarHBondContact O-CG 3.3Å; E213-R217 PolarHBondContact O-N 2.89Å; R217-M219 VanDerWaalsContact C-N 3.34Å; R217-H220 PolarHBondContact O-N 2.91Å; R217-Q221 WeakPolarHBondContact O-CG 3.47Å; R217-Q221 PolarHBondContact O-N 3.44Å |
| 218 | R | 77.8 | Confident | 67.5 | Low | 164 Ų | 164 | 103.1 Ų | 103.1 | 62% | 0.619 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -62.5 | -42 | 174 | -165.7 | 179.3 | -163.2 | -179.9 | 3.6 | 111.3 | R214 T215 Q221 M222 | R214-R218 VanDerWaalsContact O-CB 3.27Å; R214-R218 WeakPolarHBondContact O-CB 3.08Å; R214-R218 PolarHBondContact O-N 3.04Å; T215-R218 PolarHBondContact O-N 3.45Å; R218-Q221 PolarHBondContact O-N 2.8Å; R218-M222 HydrophobicContact CG-CE 3.97Å; R218-M222 HydrophobicContact CG-SD 4.19Å; R218-M222 WeakPolarHBondContact O-CB 3.32Å; R218-M222 VanDerWaalsContact O-CG 3.3Å; R218-M222 WeakPolarHBondContact O-CG 3.26Å; R218-M222 PolarHBondContact O-N 2.76Å |
| 219 | M | 72 | Confident | 65 | Low | 119 Ų | 119 | 111.3 Ų | 111.3 | 59% | 0.586 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.6 | -43.9 | 174.5 | -166.2 | -178.1 | 84.8 | 0 | 0 | 111.9 | T215 L216 R217 M222 A223 | T215-M219 WeakPolarHBondContact O-CB 3.45Å; T215-M219 PolarHBondContact O-N 2.98Å; L216-M219 HydrophobicContact CD1-CE 4.01Å; L216-M219 PolarHBondContact O-N 3.07Å; R217-M219 VanDerWaalsContact C-N 3.34Å; M219-M222 PolarHBondContact O-N 3.22Å; M219-A223 WeakPolarHBondContact O-CB 3.3Å; M219-A223 PolarHBondContact O-N 2.7Å |
| 220 | H | 75.8 | Confident | 62.9 | Low | 127 Ų | 127 | 114.2 Ų | 114.2 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -62.3 | -41.8 | 173.7 | -92.4 | 80 | 0 | 0 | 0 | 113.1 | L216 R217 M222 A223 G224 | L216-H220 PolarHBondContact O-N 2.92Å; L216-H220 PolarHBondContact O-ND1 3.27Å; R217-H220 PolarHBondContact O-N 2.91Å; H220-M222 VanDerWaalsContact C-N 3.35Å; H220-A223 PolarHBondContact O-N 3.1Å; H220-G224 PolarHBondContact O-N 3.36Å |
| 221 | Q | 72.2 | Confident | 61.2 | Low | 151 Ų | 151 | 118.6 Ų | 118.6 | 71% | 0.706 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.9 | -35.8 | 177.2 | -74.7 | 177.9 | -11 | 0 | 0 | 112.4 | R217 R218 G224 Q225 | R217-Q221 WeakPolarHBondContact O-CG 3.47Å; R217-Q221 PolarHBondContact O-N 3.44Å; R218-Q221 PolarHBondContact O-N 2.8Å; Q221-G224 PolarHBondContact O-N 2.95Å; Q221-Q225 PolarHBondContact O-N 2.9Å |
| 222 | M | 61.2 | Low | 59.4 | Low | 110 Ų | 110 | 122.2 Ų | 122.2 | 54% | 0.542 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -68.4 | -40.5 | 173 | -72.6 | 168.7 | 168.3 | 0 | 0 | 112 | R218 M219 H220 G224 Q225 | R218-M222 HydrophobicContact CG-CE 3.97Å; R218-M222 HydrophobicContact CG-SD 4.19Å; R218-M222 WeakPolarHBondContact O-CB 3.32Å; R218-M222 VanDerWaalsContact O-CG 3.3Å; R218-M222 WeakPolarHBondContact O-CG 3.26Å; R218-M222 PolarHBondContact O-N 2.76Å; M219-M222 PolarHBondContact O-N 3.22Å; H220-M222 VanDerWaalsContact C-N 3.35Å; M222-G224 VanDerWaalsContact C-N 3.3Å; M222-G224 PolarHBondContact O-N 3.34Å; M222-Q225 PolarHBondContact O-N 3.12Å |
| 223 | A | 59.1 | Low | 57.9 | Low | 65 Ų | 65 | 122 Ų | 122 | 54% | 0.537 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -61.3 | -38.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M219 H220 Q225 L226 | M219-A223 WeakPolarHBondContact O-CB 3.3Å; M219-A223 PolarHBondContact O-N 2.7Å; H220-A223 PolarHBondContact O-N 3.1Å; A223-Q225 PolarHBondContact O-N 3.31Å; A223-L226 PolarHBondContact O-N 3.49Å |
| 224 | G | 54.3 | Low | 56.1 | Low | 65 Ų | 65 | 125.3 Ų | 125.3 | 67% | 0.67 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.3 | -10.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | H220 Q221 M222 | H220-G224 PolarHBondContact O-N 3.36Å; Q221-G224 PolarHBondContact O-N 2.95Å; M222-G224 VanDerWaalsContact C-N 3.3Å; M222-G224 PolarHBondContact O-N 3.34Å |
| 225 | Q | 48.2 | Very low | 54 | Low | 168 Ų | 168 | 129.2 Ų | 129.2 | 79% | 0.785 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.2 | -16.3 | 178.1 | -159.6 | 172.5 | 16.1 | 0 | 0 | 113.1 | Q221 M222 A223 G227 | Q221-Q225 PolarHBondContact O-N 2.9Å; M222-Q225 PolarHBondContact O-N 3.12Å; A223-Q225 PolarHBondContact O-N 3.31Å; Q225-G227 PolarHBondContact O-N 2.98Å |
| 226 | L | 48.5 | Very low | 52 | Low | 141 Ų | 141 | 134 Ų | 134 | 74% | 0.738 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -90.8 | 91.9 | 169.4 | -70.3 | 172.7 | 0 | 0 | 0 | 108.8 | A223 I228 | A223-L226 PolarHBondContact O-N 3.49Å; L226-I228 PolarHBondContact O-N 3.22Å |
| 227 | G | 47.8 | Very low | 49.9 | Very low | 70 Ų | 70 | 132.5 Ų | 132.5 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | trans | -65.1 | 85.2 | -167.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | Q225 | Q225-G227 PolarHBondContact O-N 2.98Š| ||
| 228 | I | 44.1 | Very low | 47.6 | Very low | 158 Ų | 158 | 131.1 Ų | 131.1 | 81% | 0.81 | 73% | 0.729 | S | S | * | * | trans | -108.8 | 103.9 | 167.2 | -58.4 | 179.2 | 0 | 0 | 0 | 108.4 | L226 | L226-I228 PolarHBondContact O-N 3.22Š| ||
| 229 | F | 38.1 | Very low | 45.4 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 82% | 0.82 | 74% | 0.744 | S | S | * | * | trans | -61.5 | 152.6 | 165.8 | -70.7 | -100.6 | 0 | 0 | 0 | 109.6 | ||||
| 230 | S | 38.2 | Very low | 43.5 | Very low | 102 Ų | 102 | 132.7 Ų | 132.7 | 71% | 0.713 | 75% | 0.753 | S | S | * | * | cis | -155.2 | 175.3 | 10.7 | -125.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 231 | P | 40.7 | Very low | 41.3 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 77% | 0.768 | S | S | * | * | trans | -77.9 | 136.3 | -169.2 | 30.8 | -35 | 0 | 0 | 0 | 114.4 | ||||
| 232 | M | 30.3 | Very low | 39.4 | Very low | 178 Ų | 178 | 135.9 Ų | 135.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -96.9 | 130.4 | 146.3 | -88.6 | -161.5 | 177.6 | 0 | 0 | 109.4 | I234 | M232-I234 PolarHBondContact O-N 3.38Å; M232-I234 VanDerWaalsContact O-N 3.1Å | ||
| 233 | T | 34.2 | Very low | 38 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | -77.6 | 87.8 | 174 | 49.6 | 0 | 0 | 0 | 0 | 110.6 | Q235 | T233-Q235 PolarHBondContact O-N 3.41Š| ||
| 234 | I | 36.2 | Very low | 36.8 | Very low | 150 Ų | 150 | 142.1 Ų | 142.1 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | -79.8 | 100.6 | 165.1 | -64 | -172.9 | 0 | 0 | 0 | 108.6 | M232 F236 | M232-I234 PolarHBondContact O-N 3.38Å; M232-I234 VanDerWaalsContact O-N 3.1Å; I234-F236 PolarHBondContact O-N 3.43Å | ||
| 235 | Q | 30.1 | Very low | 35.7 | Very low | 186 Ų | 186 | 142.8 Ų | 142.8 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -71.5 | 88.6 | -178.8 | -177.2 | 175.9 | -10 | 0 | 0 | 110.6 | T233 G237 | T233-Q235 PolarHBondContact O-N 3.41Å; Q235-G237 PolarHBondContact O-N 2.97Å | ||
| 236 | F | 30 | Very low | 34.9 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.8 | 122.7 | 174.8 | -151 | -90.9 | 0 | 0 | 0 | 110 | I234 A238 | I234-F236 PolarHBondContact O-N 3.43Å; F236-A238 PolarHBondContact O-N 3.43Å |
| 237 | G | 32.3 | Very low | 34 | Very low | 63 Ų | 63 | 140 Ų | 140 | 65% | 0.649 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -66 | 124.4 | -171.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q235 | Q235-G237 PolarHBondContact O-N 2.97Š|
| 238 | A | 28.7 | Very low | 33.2 | Very low | 104 Ų | 104 | 144.5 Ų | 144.5 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 128.7 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | F236 | F236-A238 PolarHBondContact O-N 3.43Š|
| 239 | Y | 31.7 | Very low | 32.6 | Very low | 238 Ų | 238 | 142.4 Ų | 142.4 | 93% | 0.933 | 82% | 0.816 | S | S | * | * | trans | -130 | 122.8 | 172.7 | -124.3 | -87.4 | 0 | 0 | 0 | 109.6 | ||||
| 240 | G | 31.3 | Very low | 33.1 | Very low | 77 Ų | 77 | 139.3 Ų | 139.3 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | 85.4 | 88.9 | 167 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 241 | A | 29.6 | Very low | 32.7 | Very low | 107 Ų | 107 | 139.5 Ų | 139.5 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | trans | -148.8 | 62.6 | 161.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 242 | Y | 32.4 | Very low | 32.3 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 93% | 0.933 | 82% | 0.823 | S | S | * | * | trans | -85.3 | 109.6 | 168.9 | -96.8 | -90 | 0 | 0 | 0 | 109.8 | ||||
| 243 | S | 31.3 | Very low | 32.6 | Very low | 110 Ų | 110 | 138.4 Ų | 138.4 | 77% | 0.769 | 83% | 0.825 | S | S | * | * | trans | 167.2 | 99.4 | 139.6 | 42.3 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 244 | H | 34.4 | Very low | 32.5 | Very low | 197 Ų | 197 | 140.8 Ų | 140.8 | 91% | 0.912 | 83% | 0.827 | S | S | * | * | trans | 178.6 | 151.2 | 145.9 | -118 | -122.6 | 0 | 0 | 0 | 108.6 | ||||
| 245 | A | 32.5 | Very low | 32.4 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 65% | 0.645 | 82% | 0.824 | S | S | * | * | cis | -163.4 | 166.7 | -29.4 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 246 | V | 30.7 | Very low | 32.9 | Very low | 150 Ų | 150 | 139.5 Ų | 139.5 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -77.8 | 127.9 | -175.4 | 175.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 247 | S | 29.9 | Very low | 33.2 | Very low | 100 Ų | 100 | 137.5 Ų | 137.5 | 70% | 0.699 | 82% | 0.821 | S | S | * | * | trans | -159.7 | 105.3 | 156.7 | 179.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 248 | L | 30.8 | Very low | 33.9 | Very low | 165 Ų | 165 | 142.3 Ų | 142.3 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | 43.6 | 119.4 | 140.9 | -62.7 | 161.8 | 0 | 0 | 0 | 121.1 | ||||
| 249 | S | 31.3 | Very low | 34.9 | Very low | 115 Ų | 115 | 146.4 Ų | 146.4 | 80% | 0.804 | 83% | 0.83 | S | S | * | * | trans | -77.9 | -172.7 | 172 | -31.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 250 | P | 48.3 | Very low | 35.6 | Very low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 83% | 0.829 | S | S | * | * | cis | -141.2 | -174 | 1.4 | 42.3 | -23 | 0 | 0 | 0 | 117.8 | ||||
| 251 | A | 30.3 | Very low | 36.2 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 88% | 0.876 | 84% | 0.836 | S | S | * | * | trans | 84.5 | 129.5 | 156.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 252 | G | 32.9 | Very low | 36.9 | Very low | 74 Ų | 74 | 150.2 Ų | 150.2 | 76% | 0.763 | 84% | 0.835 | S | S | * | * | trans | 145.4 | 64.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 253 | E | 35.9 | Very low | 37.2 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 93% | 0.925 | 83% | 0.829 | S | S | * | * | trans | 38.2 | 90.3 | 150.9 | -65.6 | 171.5 | 125.8 | 0 | 0 | 121.6 | ||||
| 254 | E | 31 | Very low | 37.8 | Very low | 185 Ų | 185 | 146.3 Ų | 146.3 | 86% | 0.864 | 83% | 0.834 | S | S | * | * | 16.8 | 122.5 | 126.2 | -161 | 176.7 | 148.5 | 0 | 0 | 121.5 | |||||
| 255 | T | 35 | Very low | 38.2 | Very low | 118 Ų | 118 | 146 Ų | 146 | 72% | 0.724 | 84% | 0.836 | S | S | * | * | trans | 148.5 | 109.5 | 130.1 | -64.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 256 | Q | 41.3 | Very low | 38.5 | Very low | 192 Ų | 192 | 147.4 Ų | 147.4 | 90% | 0.897 | 85% | 0.847 | S | S | * | * | -174.4 | 154.5 | 110.2 | -161.4 | 149 | 107 | 0 | 0 | 111.7 | |||||
| 257 | M | 36.3 | Very low | 38.5 | Very low | 152 Ų | 152 | 144.4 Ų | 144.4 | 75% | 0.749 | 84% | 0.838 | S | S | * | * | trans | -99.3 | 135.1 | -162.3 | -101.7 | 175.2 | 66.4 | 0 | 0 | 116.1 | ||||
| 258 | M | 46.9 | Very low | 38.5 | Very low | 163 Ų | 163 | 145.8 Ų | 145.8 | 80% | 0.803 | 84% | 0.843 | S | S | * | * | 42.4 | 88.3 | 118.2 | -165.4 | -174.3 | 89 | 0 | 0 | 119.1 | |||||
| 259 | Q | 49.2 | Very low | 38.6 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 89% | 0.893 | 84% | 0.844 | S | S | * | * | trans | -156.4 | 80.6 | 154.2 | -168.6 | 175.3 | 91 | 0 | 0 | 114.6 | ||||
| 260 | Q | 46.9 | Very low | 38.5 | Very low | 196 Ų | 196 | 144.5 Ų | 144.5 | 92% | 0.916 | 84% | 0.835 | S | S | * | * | trans | -163.9 | 67.7 | 152.5 | -164.2 | 147.4 | 83 | 0 | 0 | 114.9 | ||||
| 261 | Q | 43.2 | Very low | 37.5 | Very low | 200 Ų | 200 | 143.9 Ų | 143.9 | 94% | 0.935 | 83% | 0.834 | S | S | * | * | trans | -153.8 | 77.3 | 163.4 | -164 | 154.2 | 59.2 | 0 | 0 | 114 | ||||
| 262 | A | 45 | Very low | 37.9 | Very low | 106 Ų | 106 | 149.2 Ų | 149.2 | 88% | 0.876 | 83% | 0.833 | S | S | * | * | trans | -157.1 | 59.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 263 | A | 37.6 | Very low | 37.7 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 79% | 0.793 | 84% | 0.836 | S | S | * | * | trans | -146.1 | 8.6 | -179.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 264 | L | 45.2 | Very low | 37.6 | Very low | 169 Ų | 169 | 151 Ų | 151 | 89% | 0.885 | 83% | 0.831 | S | S | * | * | trans | -115.6 | 66.2 | 174.2 | -88.9 | 83.5 | 0 | 0 | 0 | 111.4 | ||||
| 265 | M | 42.4 | Very low | 38 | Very low | 191 Ų | 191 | 148.6 Ų | 148.6 | 94% | 0.941 | 83% | 0.831 | S | S | * | * | trans | -163.9 | 78.2 | 158 | -118.7 | -174.9 | -65.8 | 0 | 0 | 112.6 | ||||
| 266 | A | 38.6 | Very low | 38.2 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 89% | 0.893 | 84% | 0.839 | S | S | * | * | trans | -151.6 | 105.6 | 160.4 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 267 | A | 31.1 | Very low | 38.2 | Very low | 87 Ų | 87 | 146.9 Ų | 146.9 | 72% | 0.719 | 83% | 0.833 | S | S | * | * | trans | -97.2 | 165.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 268 | T | 29.3 | Very low | 38.1 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 79% | 0.791 | 84% | 0.84 | S | S | * | * | trans | 54.2 | 114.4 | 159.2 | 56.7 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 269 | Q | 32.3 | Very low | 37.8 | Very low | 192 Ų | 192 | 145 Ų | 145 | 90% | 0.897 | 84% | 0.843 | S | S | * | * | -164.2 | 163.4 | 110 | -98.9 | -55.7 | -6.3 | 0 | 0 | 111.1 | |||||
| 270 | G | 29.1 | Very low | 37.1 | Very low | 60 Ų | 60 | 140.7 Ų | 140.7 | 62% | 0.619 | 84% | 0.839 | S | S | * | * | trans | -79.3 | -174.5 | -161.2 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 271 | S | 29 | Very low | 36.5 | Very low | 108 Ų | 108 | 136.5 Ų | 136.5 | 76% | 0.755 | 84% | 0.838 | S | S | * | * | trans | 88 | 107.3 | 153.9 | -62.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 272 | Y | 36.8 | Very low | 36.1 | Very low | 219 Ų | 219 | 132 Ų | 132 | 86% | 0.859 | 84% | 0.835 | S | S | * | * | 70 | 138.4 | 128.1 | -80.2 | -80.7 | 0 | 0 | 0 | 123.4 | |||||
| 273 | L | 29.7 | Very low | 35.5 | Very low | 159 Ų | 159 | 135.9 Ų | 135.9 | 83% | 0.832 | 84% | 0.835 | S | S | * | * | trans | 92.5 | 156.5 | 157.6 | -66.5 | 164.6 | 0 | 0 | 0 | 120.4 | ||||
| 274 | N | 33 | Very low | 35.5 | Very low | 151 Ų | 151 | 139.1 Ų | 139.1 | 81% | 0.807 | 84% | 0.836 | S | S | * | * | trans | -78.9 | 148.2 | -162.6 | -67.2 | -5.3 | 0 | 0 | 0 | 114.3 | M276 | N274-M276 PolarHBondContact O-N 3.35Š| ||
| 275 | P | 39.5 | Very low | 35.2 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 87% | 0.87 | 83% | 0.833 | S | S | * | * | trans | -85.7 | 106.9 | 164.5 | 33.3 | -30.6 | 0 | 0 | 0 | 111.8 | ||||
| 276 | M | 39 | Very low | 34.9 | Very low | 179 Ų | 179 | 139 Ų | 139 | 88% | 0.882 | 83% | 0.829 | S | S | * | * | trans | -144.7 | 139.8 | 158.3 | -173.2 | 59.2 | 141.8 | 0 | 0 | 107.9 | N274 | N274-M276 PolarHBondContact O-N 3.35Š| ||
| 277 | A | 41 | Very low | 34.7 | Very low | 95 Ų | 95 | 142 Ų | 142 | 79% | 0.785 | 83% | 0.826 | S | S | * | * | trans | 67.7 | 95.6 | -170.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 278 | A | 35.2 | Very low | 34.6 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 88% | 0.884 | 83% | 0.832 | S | S | * | * | trans | -150.1 | 48.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 279 | I | 39.8 | Very low | 34.6 | Very low | 168 Ų | 168 | 141.2 Ų | 141.2 | 86% | 0.862 | 83% | 0.833 | S | S | * | * | trans | -110.2 | 147.5 | 175.1 | -65.3 | 175.5 | 0 | 0 | 0 | 108.1 | ||||
| 280 | A | 36 | Very low | 34.4 | Very low | 100 Ų | 100 | 141 Ų | 141 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | 75 | 81.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 281 | A | 33.2 | Very low | 34.6 | Very low | 108 Ų | 108 | 144.5 Ų | 144.5 | 89% | 0.893 | 83% | 0.834 | S | S | * | * | trans | -158.9 | 56.9 | 158.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 282 | A | 34.7 | Very low | 34.7 | Very low | 105 Ų | 105 | 144.8 Ų | 144.8 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | -163.8 | 75.1 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 283 | Q | 32.3 | Very low | 34.3 | Very low | 188 Ų | 188 | 141.1 Ų | 141.1 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -140.9 | 141.8 | 167.3 | -165.7 | -178.7 | 16.5 | 0 | 0 | 110.1 | ||||
| 284 | M | 37.3 | Very low | 34.3 | Very low | 164 Ų | 164 | 136 Ų | 136 | 81% | 0.808 | 81% | 0.811 | S | S | * | * | trans | 68.7 | 90.9 | 165.8 | -169.4 | 174.8 | -68.3 | 0 | 0 | 118.6 | ||||
| 285 | Q | 40.5 | Very low | 34.1 | Very low | 175 Ų | 175 | 136.6 Ų | 136.6 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -175.7 | 144.7 | 143.1 | -103.3 | 162.2 | -45.5 | 0 | 0 | 108.9 | ||||
| 286 | Q | 35.2 | Very low | 33.7 | Very low | 183 Ų | 183 | 136.4 Ų | 136.4 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | cis | -154 | 171.1 | -20.5 | -138.1 | 174.8 | 8.3 | 0 | 0 | 109.9 | ||||
| 287 | M | 34.9 | Very low | 33.2 | Very low | 170 Ų | 170 | 132.2 Ų | 132.2 | 84% | 0.837 | 80% | 0.804 | S | S | * | * | trans | -117.3 | 115.2 | -171.1 | 175.2 | -173.2 | -173.7 | 0 | 0 | 111.4 | ||||
| 288 | A | 29 | Very low | 32.7 | Very low | 102 Ų | 102 | 134 Ų | 134 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | -164.9 | 98.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 289 | A | 29.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -164.6 | 108.2 | 155.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 290 | F | 28.1 | Very low | 32.4 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 82% | 0.82 | 80% | 0.797 | S | S | * | * | trans | -130.6 | 161.8 | 168.8 | -80.6 | -89.2 | 0 | 0 | 0 | 107.3 | ||||
| 291 | N | 32.3 | Very low | 32.3 | Very low | 134 Ų | 134 | 135.9 Ų | 135.9 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | cis | -142.6 | -177.4 | 9.5 | -152.5 | 8.7 | 0 | 0 | 0 | 106.5 | ||||
| 292 | V | 31.2 | Very low | 32.4 | Very low | 114 Ų | 114 | 136.3 Ų | 136.3 | 69% | 0.691 | 79% | 0.789 | S | S | * | * | cis | -149.1 | -172.4 | 17.7 | -143.8 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 293 | N | 29.3 | Very low | 32.3 | Very low | 142 Ų | 142 | 136.4 Ų | 136.4 | 76% | 0.759 | 78% | 0.783 | S | S | * | * | cis | -160.4 | 152 | 1 | -171.4 | 55.7 | 0 | 0 | 0 | 108 | ||||
| 294 | G | 28.8 | Very low | 32.2 | Very low | 50 Ų | 50 | 133.7 Ų | 133.7 | 52% | 0.515 | 79% | 0.785 | S | S | . | * | cis | 165.7 | 148 | -15 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 295 | L | 30.2 | Very low | 31.7 | Very low | 164 Ų | 164 | 129.6 Ų | 129.6 | 86% | 0.859 | 79% | 0.785 | S | S | * | * | trans | 71.1 | 140.6 | 169.3 | -49.4 | 174.7 | 0 | 0 | 0 | 115.9 | ||||
| 296 | V | 30.5 | Very low | 31.2 | Very low | 131 Ų | 131 | 128 Ų | 128 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | cis | -157.5 | 156.2 | -6.8 | 102.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 297 | A | 28.2 | Very low | 30.9 | Very low | 91 Ų | 91 | 125 Ų | 125 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 63.8 | 136.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 298 | T | 30.5 | Very low | 31.2 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | trans | -104 | -172 | 163.3 | 56.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 299 | P | 40.1 | Very low | 31.9 | Very low | 105 Ų | 105 | 124.2 Ų | 124.2 | 68% | 0.682 | 78% | 0.783 | S | S | * | * | cis | -143.7 | -178.2 | 4 | 47.1 | -29.2 | 0 | 0 | 0 | 117.6 | ||||
| 300 | M | 28.4 | Very low | 32.9 | Very low | 181 Ų | 181 | 125.6 Ų | 125.6 | 89% | 0.892 | 78% | 0.784 | S | S | * | * | trans | 74.5 | 160.4 | 153.5 | -64.5 | -89.2 | 179 | 0 | 0 | 120.9 | ||||
| 301 | T | 33.2 | Very low | 33.1 | Very low | 129 Ų | 129 | 119.9 Ų | 119.9 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -87.9 | 173.6 | -179.7 | 46.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 302 | P | 36.9 | Very low | 33.2 | Very low | 116 Ų | 116 | 121.3 Ų | 121.3 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -147.2 | -171.5 | 26.6 | 44.5 | -22.4 | 0 | 0 | 0 | 118.9 | ||||
| 303 | S | 31.6 | Very low | 33.2 | Very low | 107 Ų | 107 | 121.6 Ų | 121.6 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | trans | 7.6 | 141.3 | 161.3 | -53.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 304 | S | 30.3 | Very low | 33.2 | Very low | 131 Ų | 131 | 118.7 Ų | 118.7 | 92% | 0.916 | 79% | 0.786 | S | S | * | * | trans | 76.3 | 122.6 | 146.6 | -59.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 305 | G | 26.9 | Very low | 33.3 | Very low | 79 Ų | 79 | 122.8 Ų | 122.8 | 81% | 0.814 | 80% | 0.801 | S | S | * | * | trans | 174.5 | 95.2 | 170.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 306 | T | 30.2 | Very low | 33.3 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | trans | -41.3 | 151.5 | 171.4 | 49.5 | 0 | 0 | 0 | 0 | 119 | ||||
| 307 | S | 29.8 | Very low | 33.5 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | trans | -154.2 | 131.4 | 138.7 | 56 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 308 | T | 40 | Very low | 34 | Very low | 135 Ų | 135 | 120.9 Ų | 120.9 | 83% | 0.828 | 80% | 0.798 | S | S | * | * | trans | -147.7 | 149.7 | 168.5 | 49.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 309 | P | 44.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 120.4 Ų | 120.4 | 79% | 0.786 | 80% | 0.8 | S | S | * | * | trans | -147.2 | 175.6 | 143.3 | 39.4 | -24.9 | 0 | 0 | 0 | 113.2 | ||||
| 310 | P | 49.5 | Very low | 33.9 | Very low | 128 Ų | 128 | 124 Ų | 124 | 83% | 0.831 | 81% | 0.812 | S | S | * | * | cis | -131.7 | 165.8 | -44.9 | 37.5 | -23.4 | 0 | 0 | 0 | 112.5 | ||||
| 311 | G | 31.6 | Very low | 33.9 | Very low | 67 Ų | 67 | 119.6 Ų | 119.6 | 69% | 0.691 | 81% | 0.805 | S | S | * | * | trans | -176.6 | 72.5 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 312 | I | 35.7 | Very low | 34 | Very low | 164 Ų | 164 | 119.9 Ų | 119.9 | 84% | 0.841 | 81% | 0.806 | S | S | * | * | trans | 37.1 | 114.1 | 158.1 | 56.6 | 172.2 | 0 | 0 | 0 | 121.5 | ||||
| 313 | S | 30.2 | Very low | 34.4 | Very low | 121 Ų | 121 | 120.1 Ų | 120.1 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | trans | 25.4 | 139.5 | 133.1 | -55.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 314 | A | 30.6 | Very low | 34.8 | Very low | 80 Ų | 80 | 123 Ų | 123 | 66% | 0.661 | 81% | 0.813 | S | S | * | * | cis | -169.7 | 171.3 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 315 | T | 30.9 | Very low | 34.8 | Very low | 136 Ų | 136 | 120.3 Ų | 120.3 | 83% | 0.834 | 81% | 0.806 | S | S | * | * | trans | 60.8 | 120.5 | 168.4 | 49.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 316 | A | 29.4 | Very low | 34.9 | Very low | 87 Ų | 87 | 122.9 Ų | 122.9 | 72% | 0.719 | 81% | 0.806 | S | S | * | * | cis | 80 | 131 | 49.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 317 | V | 35.2 | Very low | 35.2 | Very low | 141 Ų | 141 | 122.5 Ų | 122.5 | 86% | 0.855 | 80% | 0.799 | S | S | * | * | cis | -139 | -133.3 | 0.5 | -88.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 318 | P | 38.9 | Very low | 35.1 | Very low | 118 Ų | 118 | 120.3 Ų | 120.3 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | -120.7 | 170.9 | -125.1 | 39.2 | -19.7 | 0 | 0 | 0 | 117 | |||||
| 319 | S | 37.7 | Very low | 34.8 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -76.6 | 141.7 | 175.1 | -47.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 320 | I | 30.5 | Very low | 34.2 | Very low | 180 Ų | 180 | 121.4 Ų | 121.4 | 92% | 0.923 | 79% | 0.788 | S | S | * | * | trans | -152.7 | 176.4 | 157.9 | -124.2 | 168.1 | 0 | 0 | 0 | 111.7 | ||||
| 321 | A | 27 | Very low | 33.2 | Very low | 90 Ų | 90 | 120.1 Ų | 120.1 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | -67.1 | 176.8 | -157.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 322 | T | 36.7 | Very low | 33.4 | Very low | 135 Ų | 135 | 125 Ų | 125 | 83% | 0.828 | 80% | 0.797 | S | S | * | * | trans | -60.7 | 158.5 | 176.3 | 53.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 323 | P | 45.1 | Very low | 34.6 | Very low | 120 Ų | 120 | 122.8 Ų | 122.8 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | -151.7 | 178 | 96.2 | 40.5 | -22.5 | 0 | 0 | 0 | 117.5 | |||||
| 324 | I | 39.4 | Very low | 35.7 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 86% | 0.856 | 79% | 0.792 | S | S | * | * | trans | -18.8 | 143.1 | 165.7 | -62.9 | 163.4 | 0 | 0 | 0 | 118.7 | ||||
| 325 | G | 30.3 | Very low | 35.9 | Very low | 75 Ų | 75 | 128 Ų | 128 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | trans | -155.6 | 128.1 | 160.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 326 | V | 29.8 | Very low | 35.7 | Very low | 133 Ų | 133 | 127.4 Ų | 127.4 | 81% | 0.806 | 80% | 0.803 | S | S | * | * | trans | -98.7 | 174.5 | 166.6 | -69.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 327 | N | 35.8 | Very low | 35.9 | Very low | 135 Ų | 135 | 131 Ų | 131 | 72% | 0.722 | 81% | 0.811 | S | S | * | * | cis | -165.6 | 171.4 | 27.6 | -152.4 | -4.2 | 0 | 0 | 0 | 111.1 | ||||
| 328 | G | 27.8 | Very low | 35.5 | Very low | 71 Ų | 71 | 127.6 Ų | 127.6 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | trans | -165.9 | 117.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 329 | F | 33.7 | Very low | 35 | Very low | 179 Ų | 179 | 131 Ų | 131 | 79% | 0.785 | 81% | 0.809 | S | S | * | * | trans | -95.2 | 172.8 | -175.4 | -83.8 | -120.6 | 0 | 0 | 0 | 112.6 | ||||
| 330 | S | 33 | Very low | 35.8 | Very low | 101 Ų | 101 | 129.6 Ų | 129.6 | 71% | 0.706 | 80% | 0.797 | S | S | * | * | cis | 175.8 | 148.5 | -29.9 | -84.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 331 | A | 28.1 | Very low | 35.6 | Very low | 100 Ų | 100 | 127.1 Ų | 127.1 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | trans | -164.3 | 138.6 | 157.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 332 | L | 35.3 | Very low | 35.7 | Very low | 169 Ų | 169 | 128.7 Ų | 128.7 | 89% | 0.885 | 80% | 0.796 | S | S | * | * | trans | -149.9 | -177.4 | 167 | -75.8 | -179.4 | 0 | 0 | 0 | 105.7 | ||||
| 333 | P | 61.9 | Low | 35.1 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 80% | 0.797 | S | S | * | * | cis | -132.2 | -146.6 | 8.9 | 45.2 | -22.9 | 0 | 0 | 0 | 110.1 | ||||
| 334 | P | 52.9 | Low | 35.7 | Very low | 124 Ų | 124 | 130.2 Ų | 130.2 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | cis | -130.6 | -178 | 4.5 | 40.1 | -18.9 | 0 | 0 | 0 | 118.1 | ||||
| 335 | Q | 33.6 | Very low | 35.2 | Very low | 187 Ų | 187 | 128.8 Ų | 128.8 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -97 | 174.9 | -175 | -62 | -178.1 | -45.2 | 0 | 0 | 114.8 | ||||
| 336 | S | 27.9 | Very low | 35.2 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -139.5 | 170.8 | 139.2 | 63.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 337 | N | 32.4 | Very low | 35 | Very low | 163 Ų | 163 | 134.6 Ų | 134.6 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | trans | -143.5 | 154.8 | -162.4 | 176.6 | 39.9 | 0 | 0 | 0 | 112.1 | ||||
| 338 | G | 27.9 | Very low | 34.6 | Very low | 68 Ų | 68 | 135.4 Ų | 135.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | trans | 178.3 | 143.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 339 | Q | 27.2 | Very low | 34.6 | Very low | 189 Ų | 189 | 135 Ų | 135 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | trans | -159.6 | 176.2 | 178.1 | -128 | -172 | -34.2 | 0 | 0 | 107 | ||||
| 340 | P | 55.3 | Low | 34.3 | Very low | 94 Ų | 94 | 134.7 Ų | 134.7 | 61% | 0.61 | 79% | 0.789 | S | S | * | * | cis | -141.1 | -157.4 | -8.8 | 39.8 | -17 | 0 | 0 | 0 | 115 | ||||
| 341 | T | 27.2 | Very low | 34.5 | Very low | 128 Ų | 128 | 138 Ų | 138 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | 70.5 | 122.2 | 148.8 | 45.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 342 | S | 28.1 | Very low | 35.1 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | -175.5 | 152.3 | 110.4 | 57.9 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 343 | E | 25.3 | Very low | 34.9 | Very low | 182 Ų | 182 | 141.1 Ų | 141.1 | 85% | 0.85 | 79% | 0.789 | S | S | * | * | trans | -125.9 | -163.4 | 169 | -68.4 | -167.1 | 102.3 | 0 | 0 | 109 | ||||
| 344 | P | 57.4 | Low | 34.6 | Very low | 105 Ų | 105 | 141 Ų | 141 | 68% | 0.682 | 79% | 0.788 | S | S | * | * | -116.9 | -159.2 | -73.8 | 33.5 | -15.8 | 0 | 0 | 0 | 111.4 | |||||
| 345 | I | 27.3 | Very low | 33.4 | Very low | 138 Ų | 138 | 139.2 Ų | 139.2 | 71% | 0.708 | 78% | 0.784 | S | S | * | * | trans | 138 | 113.4 | 145.3 | -75.3 | 173.5 | 0 | 0 | 0 | 117.9 | ||||
| 346 | Y | 30.1 | Very low | 33.1 | Very low | 213 Ų | 213 | 139.7 Ų | 139.7 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 59.2 | 161.9 | 145.8 | -71 | -115.5 | 0 | 0 | 0 | 120.2 | ||||
| 347 | T | 25.8 | Very low | 32.9 | Very low | 116 Ų | 116 | 139 Ų | 139 | 71% | 0.712 | 78% | 0.782 | S | S | * | * | cis | -149.2 | 178.3 | 16.4 | -159.6 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 348 | N | 28.5 | Very low | 33.5 | Very low | 153 Ų | 153 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | -32.3 | 160.6 | 177.8 | -72.3 | -58.9 | 0 | 0 | 0 | 120.4 | ||||
| 349 | G | 28 | Very low | 33.5 | Very low | 62 Ų | 62 | 140.5 Ų | 140.5 | 64% | 0.639 | 79% | 0.785 | S | S | * | * | cis | 153.7 | -175.7 | -2.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 350 | I | 27.5 | Very low | 33.6 | Very low | 172 Ų | 172 | 137.6 Ų | 137.6 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | 126.3 | 137.4 | 163.5 | -66.7 | 169.1 | 0 | 0 | 0 | 116.1 | ||||
| 351 | H | 37.4 | Very low | 32.3 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -126.6 | 158 | 177.8 | -81.4 | -75.9 | 0 | 0 | 0 | 108.8 | ||||
| 352 | P | 40.1 | Very low | 32.4 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | -154.9 | -179.2 | 69 | 41 | -17.9 | 0 | 0 | 0 | 119.7 | |||||
| 353 | Y | 30.1 | Very low | 33.2 | Very low | 211 Ų | 211 | 139.5 Ų | 139.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | -60.2 | -175.5 | 172.2 | -86.3 | -81.9 | 0 | 0 | 0 | 117 | ||||
| 354 | P | 55.7 | Low | 33.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 78% | 0.78 | S | S | * | * | cis | -135.6 | 175.6 | -14.7 | 28.2 | -6.9 | 0 | 0 | 0 | 115.8 | ||||
| 355 | A | 27.7 | Very low | 32.3 | Very low | 88 Ų | 88 | 141.7 Ų | 141.7 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | 173.7 | 120.8 | 120.4 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 356 | Q | 27.8 | Very low | 32.8 | Very low | 196 Ų | 196 | 144.2 Ų | 144.2 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 65.4 | 156.1 | 142.8 | -58.9 | -176.4 | 12.7 | 0 | 0 | 122.3 | ||||
| 357 | S | 24.2 | Very low | 32.8 | Very low | 111 Ų | 111 | 138.1 Ų | 138.1 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -145.4 | -167.7 | -168.8 | 60.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 358 | P | 44 | Very low | 33 | Very low | 112 Ų | 112 | 143.4 Ų | 143.4 | 73% | 0.727 | 80% | 0.797 | S | S | * | * | cis | -135.5 | 169.8 | -5.6 | 41.9 | -25.7 | 0 | 0 | 0 | 116.1 | ||||
| 359 | T | 28.9 | Very low | 33.1 | Very low | 149 Ų | 149 | 140.4 Ų | 140.4 | 91% | 0.914 | 79% | 0.793 | S | S | * | * | trans | -140.1 | 146.1 | 153.7 | -44.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 360 | V | 28.7 | Very low | 33.2 | Very low | 129 Ų | 129 | 141 Ų | 141 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -77 | 139.9 | -169.8 | 178.1 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 361 | T | 28.6 | Very low | 33.6 | Very low | 139 Ų | 139 | 139.7 Ų | 139.7 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | 178.1 | 136 | 129.9 | 32.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 362 | D | 29.4 | Very low | 33.4 | Very low | 151 Ų | 151 | 138.9 Ų | 138.9 | 81% | 0.807 | 80% | 0.796 | S | S | * | * | trans | -173.5 | 171.7 | 162.1 | -162.3 | -128.7 | 0 | 0 | 0 | 109.1 | ||||
| 363 | P | 44.2 | Very low | 33.1 | Very low | 93 Ų | 93 | 142.1 Ų | 142.1 | 60% | 0.604 | 80% | 0.8 | S | S | * | * | -111.4 | 165.1 | -51.9 | 33 | -23.1 | 0 | 0 | 0 | 112.9 | |||||
| 364 | L | 30.6 | Very low | 33.1 | Very low | 160 Ų | 160 | 142.5 Ų | 142.5 | 84% | 0.838 | 80% | 0.801 | S | S | * | * | 159 | 111.3 | 128.6 | -91.5 | 160.5 | 0 | 0 | 0 | 112.2 | |||||
| 365 | Q | 33.9 | Very low | 31.8 | Very low | 173 Ų | 173 | 141.7 Ų | 141.7 | 81% | 0.808 | 80% | 0.804 | S | S | * | * | -167.8 | 113.7 | 127 | -167 | 60.8 | 31.9 | 0 | 0 | 109.7 | |||||
| 366 | Q | 37.3 | Very low | 32 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -140.6 | 92.4 | 179.6 | -168.7 | 177.3 | 6.2 | 0 | 0 | 110.6 | ||||
| 367 | A | 30.4 | Very low | 32 | Very low | 84 Ų | 84 | 137.6 Ų | 137.6 | 69% | 0.694 | 80% | 0.804 | S | S | * | * | trans | -154.7 | 143.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 368 | Y | 30.9 | Very low | 32.4 | Very low | 228 Ų | 228 | 142.9 Ų | 142.9 | 89% | 0.894 | 81% | 0.809 | S | S | * | * | trans | -15.3 | 134.2 | 173.1 | -89.1 | -124.6 | 0 | 0 | 0 | 118.5 | ||||
| 369 | A | 30.8 | Very low | 32.3 | Very low | 89 Ų | 89 | 143.5 Ų | 143.5 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | cis | 93.2 | 130.3 | 37.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 370 | G | 30 | Very low | 32.6 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | 99.1 | 139.3 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 371 | V | 34.8 | Very low | 32.8 | Very low | 144 Ų | 144 | 139.4 Ų | 139.4 | 87% | 0.873 | 81% | 0.807 | S | S | * | * | cis | -136.9 | 152.7 | 7 | 173.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 372 | Q | 33.6 | Very low | 33 | Very low | 155 Ų | 155 | 144 Ų | 144 | 72% | 0.724 | 81% | 0.811 | S | S | * | * | trans | -66.8 | 148.6 | -179 | -62.5 | -168.1 | 3.2 | 0 | 0 | 113.9 | ||||
| 373 | H | 32.6 | Very low | 33.2 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 88% | 0.884 | 81% | 0.81 | S | S | * | * | trans | -131.6 | 145.2 | 148.3 | -89.4 | 44.1 | 0 | 0 | 0 | 108.6 | ||||
| 374 | Y | 31.2 | Very low | 32.9 | Very low | 219 Ų | 219 | 142.7 Ų | 142.7 | 86% | 0.859 | 82% | 0.819 | S | S | * | * | trans | -82.4 | 157.7 | -171.8 | -123.4 | -106.5 | 0 | 0 | 0 | 112.9 | ||||
| 375 | A | 29.2 | Very low | 32.9 | Very low | 97 Ų | 97 | 143 Ų | 143 | 80% | 0.802 | 82% | 0.819 | S | S | * | * | trans | -136.6 | 127.4 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 376 | A | 30.5 | Very low | 33.1 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | trans | 178.9 | 145.4 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 377 | A | 28.9 | Very low | 32.9 | Very low | 97 Ų | 97 | 140.6 Ų | 140.6 | 80% | 0.802 | 82% | 0.821 | S | S | * | * | cis | -156.1 | 163.7 | -11.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 378 | Y | 32.1 | Very low | 33.1 | Very low | 222 Ų | 222 | 141 Ų | 141 | 87% | 0.871 | 83% | 0.825 | S | S | * | * | trans | -97.1 | 157.6 | 167.3 | -84 | -79.2 | 0 | 0 | 0 | 109.5 | ||||
| 379 | P | 42.8 | Very low | 33.2 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 82% | 0.824 | S | S | * | * | -128.5 | 155 | 60.4 | 23.5 | -1.5 | 0 | 0 | 0 | 114.3 | |||||
| 380 | A | 34.8 | Very low | 33.3 | Very low | 88 Ų | 88 | 141.3 Ų | 141.3 | 73% | 0.727 | 83% | 0.828 | S | S | * | * | cis | 85.1 | 107.5 | 34 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 381 | A | 32.1 | Very low | 33.5 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | trans | -143.3 | 152 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 382 | Y | 33.4 | Very low | 33.4 | Very low | 237 Ų | 237 | 147.6 Ų | 147.6 | 93% | 0.929 | 83% | 0.828 | S | S | * | * | trans | -92 | 139.1 | -162.8 | -92.8 | -116 | 0 | 0 | 0 | 115.5 | ||||
| 383 | A | 34.2 | Very low | 33.3 | Very low | 95 Ų | 95 | 146 Ų | 146 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -168.8 | 135.5 | 135.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 384 | P | 35.9 | Very low | 33.2 | Very low | 121 Ų | 121 | 142.4 Ų | 142.4 | 79% | 0.786 | 82% | 0.822 | S | S | * | * | trans | -103 | 128.7 | 178.5 | 35.6 | -29.7 | 0 | 0 | 0 | 113.6 | ||||
| 385 | I | 32.3 | Very low | 33.3 | Very low | 166 Ų | 166 | 139.5 Ų | 139.5 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -134.4 | 135.3 | 159.1 | -65.5 | -176.5 | 0 | 0 | 0 | 108.3 | Q387 | I385-Q387 PolarHBondContact O-N 2.91Š| ||
| 386 | S | 37 | Very low | 33.5 | Very low | 123 Ų | 123 | 141.3 Ų | 141.3 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 121 | -172.7 | -50.9 | 0 | 0 | 0 | 0 | 113.2 | ||
| 387 | Q | 33.8 | Very low | 33.8 | Very low | 191 Ų | 191 | 141.4 Ų | 141.4 | 89% | 0.893 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.6 | 128.7 | 164.9 | -71.1 | -165.4 | -27.4 | 0 | 0 | 110.5 | I385 | I385-Q387 PolarHBondContact O-N 2.91Š|
| 388 | A | 34.1 | Very low | 34.3 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 148.8 | 166.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 389 | F | 33.7 | Very low | 34.9 | Very low | 197 Ų | 197 | 143.7 Ų | 143.7 | 86% | 0.864 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 129.8 | 179.1 | -68.2 | -95.9 | 0 | 0 | 0 | 111.6 | Q391 | F389-Q391 PolarHBondContact O-N 3.18Å; F389-Q391 VanDerWaalsContact O-N 3.09Å |
| 390 | P | 33.3 | Very low | 35.6 | Very low | 127 Ų | 127 | 140.3 Ų | 140.3 | 83% | 0.825 | 78% | 0.782 | S | S | * | * | trans | -65.5 | 111.5 | 163.9 | 27.9 | -31.8 | 0 | 0 | 0 | 108 | Q392 | P390-Q392 PolarHBondContact O-N 2.84Š| ||
| 391 | Q | 33.3 | Very low | 37.3 | Very low | 176 Ų | 176 | 145.5 Ų | 145.5 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -61.1 | 135 | 174.3 | -73.4 | -171.4 | -14.5 | 0 | 0 | 109.7 | F389 | F389-Q391 PolarHBondContact O-N 3.18Å; F389-Q391 VanDerWaalsContact O-N 3.09Å | ||
| 392 | Q | 32.9 | Very low | 39.6 | Very low | 175 Ų | 175 | 144.7 Ų | 144.7 | 82% | 0.818 | 76% | 0.761 | S | S | * | * | trans | -56.1 | 138.2 | 167.6 | -67 | 174.2 | -22.5 | 0 | 0 | 108.8 | P390 T394 | P390-Q392 PolarHBondContact O-N 2.84Å; Q392-T394 PolarHBondContact O-N 3.05Å | ||
| 393 | P | 31.1 | Very low | 41.8 | Very low | 122 Ų | 122 | 134 Ų | 134 | 79% | 0.792 | 72% | 0.724 | S | S | * | * | trans | -62.8 | 110.6 | 179.2 | 25.3 | -33.3 | 0 | 0 | 0 | 109.7 | I395 | P393-I395 PolarHBondContact O-N 3.27Š| ||
| 394 | T | 30.2 | Very low | 44.1 | Very low | 114 Ų | 114 | 132.5 Ų | 132.5 | 70% | 0.699 | 71% | 0.705 | S | S | * | * | trans | -50.9 | 122.6 | 175.9 | -57.8 | 0 | 0 | 0 | 0 | 109.5 | Q392 I396 | Q392-T394 PolarHBondContact O-N 3.05Å; T394-I396 PolarHBondContact O-N 3.38Å | ||
| 395 | I | 34.4 | Very low | 46.3 | Very low | 158 Ų | 158 | 134.6 Ų | 134.6 | 81% | 0.81 | 71% | 0.705 | S | S | * | * | trans | -70 | 86 | 176.6 | -55.5 | 176.5 | 0 | 0 | 0 | 108.2 | P393 P397 | P393-I395 PolarHBondContact O-N 3.27Å; I395-P397 WeakPolarHBondContact O-CD 3.36Å | ||
| 396 | I | 33.3 | Very low | 48.9 | Very low | 135 Ų | 135 | 128.2 Ų | 128.2 | 69% | 0.692 | 68% | 0.68 | S | S | * | * | trans | -58.6 | 121.7 | 162.1 | -54.4 | 174.1 | 0 | 0 | 0 | 105.4 | T394 Q398 | T394-I396 PolarHBondContact O-N 3.38Å; I396-Q398 PolarHBondContact O-N 3.45Å | ||
| 397 | P | 36.7 | Very low | 51.5 | Low | 105 Ų | 105 | 122.4 Ų | 122.4 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | trans | -61.1 | 113 | 174.6 | 25.2 | -32.4 | 0 | 0 | 0 | 107.3 | I395 Q399 | I395-P397 WeakPolarHBondContact O-CD 3.36Å; P397-Q399 PolarHBondContact O-N 2.89Å; P397-Q399 VanDerWaalsContact O-N 3.11Å | ||
| 398 | Q | 38.3 | Very low | 54.4 | Low | 180 Ų | 180 | 114.2 Ų | 114.2 | 84% | 0.841 | 60% | 0.601 | S | S | * | * | trans | -48.9 | 124.1 | 179.8 | -73.8 | -178 | -12.1 | 0 | 0 | 108.5 | I396 Q400 | I396-Q398 PolarHBondContact O-N 3.45Å; Q398-Q400 PolarHBondContact O-N 2.71Å | ||
| 399 | Q | 45.7 | Very low | 57.3 | Low | 186 Ų | 186 | 109.8 Ų | 109.8 | 87% | 0.869 | 57% | 0.565 | S | S | * | * | trans | -62.4 | 105.8 | 173.1 | -73.3 | -173.5 | 3.1 | 0 | 0 | 106.9 | P397 R401 | P397-Q399 PolarHBondContact O-N 2.89Å; P397-Q399 VanDerWaalsContact O-N 3.11Å; Q399-R401 PolarHBondContact O-N 3.26Å | ||
| 400 | Q | 58.2 | Low | 60.2 | Low | 54 Ų | 54 | 102.4 Ų | 102.4 | 25% | 0.252 | 53% | 0.532 | S | S | . | . | trans | -58 | 114.4 | -173.9 | -166.1 | 173.8 | -25.6 | 0 | 0 | 107.4 | Q398 E402 | Q398-Q400 PolarHBondContact O-N 2.71Å; Q400-E402 VanDerWaalsContact C-N 3.33Å; Q400-E402 WeakPolarHBondContact O-CG 3.27Å; Q400-E402 PolarHBondContact O-N 3.39Å | ||
| 401 | R | 69.5 | Low | 63.2 | Low | 197 Ų | 197 | 96.3 Ų | 96.3 | 74% | 0.743 | 49% | 0.493 | S | S | * | . | trans | -69.5 | 96 | -177.3 | -75.8 | -177 | 172.8 | 170.8 | -2.8 | 108.1 | Q399 I434 S435 | Q399-R401 PolarHBondContact O-N 3.26Å; R401-I434 HydrophobicContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact O-CG2 3.24Å; R401-I434 WeakPolarHBondContact O-CG2 3.25Å; R401-S435 PolarHBondContact O-OG 3.25Å | ||
| 402 | E | 79.9 | Confident | 66.1 | Low | 87 Ų | 87 | 91.7 Ų | 91.7 | 41% | 0.407 | 47% | 0.469 | S | S | . | . | trans | -77.2 | 142 | 171.7 | -51.7 | -145.3 | 113.4 | 0 | 0 | 108.7 | Q400 K483 | Q400-E402 VanDerWaalsContact C-N 3.33Å; Q400-E402 WeakPolarHBondContact O-CG 3.27Å; Q400-E402 PolarHBondContact O-N 3.39Å; E402-K483 IonicContact OE1-NZ 3.19Å; E402-K483 PolarHBondContact OE1-NZ 3.24Å; E402-K483 IonicContact OE2-NZ 2.69Å; E402-K483 PolarHBondContact OE2-NZ 3.1Å | ||
| 403 | G | 79.6 | Confident | 69 | Low | 13 Ų | 13 | 87.4 Ų | 87.4 | 13% | 0.134 | 45% | 0.449 | C | S | . | . | trans | -74.7 | -177 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | N408 F455 | G403-N408 PolarHBondContact N-OD1 2.6Å; G403-N408 PolarHBondContact O-ND2 3.24Å; G403-F455 WeakPolarHBondContact CA-O 3.4Å | ||
| 404 | P | 83.1 | Confident | 72 | Confident | 62 Ų | 62 | 81.6 Ų | 81.6 | 40% | 0.403 | 41% | 0.411 | S | S | . | . | S | Bend | trans | -57.3 | 166.6 | 172.9 | -17.2 | 27.4 | 0 | 0 | 0 | 112.7 | C407 N408 | P404-C407 VanDerWaalsContact CB-SG 3.59Å; P404-C407 WeakPolarHBondContact O-CB 3.33Å; P404-C407 PolarHBondContact O-N 3.2Å; P404-C407 PolarHBondContact O-SG 3Å; P404-N408 PolarHBondContact O-ND2 2.69Å |
| 405 | E | 82.6 | Confident | 74.8 | Confident | 166 Ų | 166 | 77.1 Ų | 77.1 | 78% | 0.776 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58 | 144.6 | 171.9 | -64.3 | -170.8 | 177.2 | 0 | 0 | 110.7 | C407 | E405-C407 PolarHBondContact O-N 2.82Å; E405-C407 PolarHBondContact O-SG 2.95Å |
| 406 | G | 85.7 | Confident | 77.3 | Confident | 32 Ų | 32 | 74.6 Ų | 74.6 | 33% | 0.33 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | -6.7 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | A461 L482 | G406-A461 WeakPolarHBondContact O-CB 3.35Å; G406-L482 WeakPolarHBondContact O-CD2 3.3Å |
| 407 | C | 92.1 | Very high | 79.9 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 37% | 0.37 | C | S | . | . | trans | -100.3 | -10.7 | -179 | -47.4 | 0 | 0 | 0 | 0 | 113.5 | P404 E405 F455 P458 | P404-C407 VanDerWaalsContact CB-SG 3.59Å; P404-C407 WeakPolarHBondContact O-CB 3.33Å; P404-C407 PolarHBondContact O-N 3.2Å; P404-C407 PolarHBondContact O-SG 3Å; E405-C407 PolarHBondContact O-N 2.82Å; E405-C407 PolarHBondContact O-SG 2.95Å; C407-F455 VanDerWaalsContact CB-O 3.3Å; C407-F455 WeakPolarHBondContact CB-O 3.32Å; C407-F455 PolarHBondContact O-N 3.31Å; C407-P458 VanDerWaalsContact SG-CA 3.59Å; C407-P458 VanDerWaalsContact SG-CD 3.56Å | ||
| 408 | N | 93.9 | Very high | 82.3 | Confident | 19 Ų | 19 | 72.6 Ų | 72.6 | 10% | 0.102 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 124.7 | -177.7 | -62.1 | -63.3 | 0 | 0 | 0 | 110.7 | G403 P404 S454 K483 | G403-N408 PolarHBondContact N-OD1 2.6Å; G403-N408 PolarHBondContact O-ND2 3.24Å; P404-N408 PolarHBondContact O-ND2 2.69Å; N408-S454 VanDerWaalsContact OD1-CB 3.24Å; N408-S454 WeakPolarHBondContact OD1-CB 3.27Å; N408-S454 PolarHBondContact OD1-OG 3.48Å; N408-K483 HydrophobicContact CB-CB 3.93Å; N408-K483 HydrophobicContact CB-CD 4.18Å; N408-K483 WeakPolarHBondContact O-CB 3.04Å; N408-K483 PolarHBondContact O-N 2.95Å |
| 409 | L | 95.6 | Very high | 84.8 | Confident | 0 Ų | 0 | 65.1 Ų | 65.1 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 149.9 | 178.9 | -57.8 | -171.8 | 0 | 0 | 0 | 111.7 | I411 F427 F452 V453 F455 A461 A464 I465 V480 Q481 L482 | L409-I411 HydrophobicContact CB-CD1 3.96Å; L409-F427 HydrophobicContact CD1-CD1 4.27Å; L409-F427 HydrophobicContact CD1-CE1 3.9Å; L409-F452 VanDerWaalsContact O-CA 3.27Å; L409-F452 WeakPolarHBondContact O-CA 3.14Å; L409-F452 WeakPolarHBondContact O-CD1 3.44Å; L409-V453 HydrophobicContact CB-CB 4.49Å; L409-V453 WeakPolarHBondContact CB-O 3.3Å; L409-V453 PolarHBondContact N-O 3.2Å; L409-V453 PolarHBondContact O-N 3.01Å; L409-V453 VanDerWaalsContact O-N 3.15Å; L409-F455 HydrophobicContact CD1-CD2 4.22Å; L409-F455 HydrophobicContact CD1-CE2 3.73Å; L409-F455 HydrophobicContact CG-CD2 4.44Å; L409-F455 HydrophobicContact CG-CE2 4.41Å; L409-A461 HydrophobicContact CD2-CB 3.96Å; L409-A461 HydrophobicContact CG-CB 4.33Å; L409-A464 HydrophobicContact CD1-CB 3.78Å; L409-I465 HydrophobicContact CD1-CG1 4.45Å; L409-I465 HydrophobicContact CD2-CD1 3.58Å; L409-I465 HydrophobicContact CD2-CG1 3.66Å; L409-V480 HydrophobicContact CD1-CG1 3.81Å; L409-Q481 CarbonylContact C-O 3.51Å; L409-Q481 WeakPolarHBondContact CA-O 3.44Å; L409-L482 HydrophobicContact CD2-CD2 4Å |
| 410 | F | 95.9 | Very high | 87.1 | Confident | 42 Ų | 42 | 60 Ų | 60 | 18% | 0.184 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 127.6 | 167.5 | -166.8 | -150.5 | 0 | 0 | 0 | 109.2 | Y412 F450 G451 F452 Q481 | F410-Y412 HydrophobicContact CD1-CE1 4.32Å; F410-Y412 AromaticContact CD1-CE2 3.64Å; F410-Y412 HydrophobicContact CD1-CE2 3.64Å; F410-Y412 AromaticContact CD1-CZ 3.55Å; F410-Y412 WeakPolarHBondContact CD1-OH 3.49Å; F410-Y412 AromaticContact CE1-CE1 3.72Å; F410-Y412 HydrophobicContact CE1-CE1 3.72Å; F410-Y412 AromaticContact CE1-CE2 3.9Å; F410-Y412 HydrophobicContact CE1-CE2 3.9Å; F410-Y412 AromaticContact CE1-CZ 3.32Å; F410-Y412 WeakPolarHBondContact CE1-OH 3.41Å; F410-Y412 HydrophobicContact CG-CE2 4.33Å; F410-Y412 HydrophobicContact CZ-CE1 4.12Å; F410-F450 HydrophobicContact CE2-CB 4.49Å; F410-F450 AromaticContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CE2 4.06Å; F410-F450 HydrophobicContact CE2-CG 4.31Å; F410-F450 AromaticContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CE2 4.26Å; F410-F450 HydrophobicContact CZ-CG 4.49Å; F410-G451 WeakPolarHBondContact CD2-O 3.38Å; F410-F452 HydrophobicContact CB-CD1 4.04Å; F410-F452 HydrophobicContact CB-CE1 3.94Å; F410-F452 HydrophobicContact CD1-CE1 4.38Å; F410-F452 AromaticContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD2 4.09Å; F410-F452 AromaticContact CD2-CE1 3.18Å; F410-F452 HydrophobicContact CD2-CE1 3.18Å; F410-F452 AromaticContact CD2-CE2 3.8Å; F410-F452 HydrophobicContact CD2-CE2 3.8Å; F410-F452 AromaticContact CD2-CG 3.98Å; F410-F452 HydrophobicContact CD2-CG 3.98Å; F410-F452 AromaticContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CE2-CD1 4.28Å; F410-F452 HydrophobicContact CE2-CD2 4.17Å; F410-F452 AromaticContact CE2-CE1 3.66Å; F410-F452 HydrophobicContact CE2-CE1 3.66Å; F410-F452 AromaticContact CE2-CE2 3.54Å; F410-F452 HydrophobicContact CE2-CE2 3.54Å; F410-F452 AromaticContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CG-CD1 4.07Å; F410-F452 AromaticContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CZ 4.09Å; F410-F452 HydrophobicContact CZ-CE1 4.43Å; F410-F452 HydrophobicContact CZ-CE2 4.46Å; F410-F452 AromaticContact CZ-CZ 3.93Å; F410-F452 HydrophobicContact CZ-CZ 3.93Å; F410-Q481 PolarHBondContact N-O 2.76Å; F410-Q481 PolarHBondContact O-N 3.27Å |
| 411 | I | 95.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 124 | -171.5 | -53.8 | 83.6 | 0 | 0 | 0 | 108.8 | L409 L414 F427 F450 G451 V453 L478 K479 V480 | L409-I411 HydrophobicContact CB-CD1 3.96Å; I411-L414 HydrophobicContact CB-CD2 4.46Å; I411-L414 HydrophobicContact CG2-CD2 3.6Å; I411-L414 HydrophobicContact CG2-CG 4.09Å; I411-F427 HydrophobicContact CD1-CZ 4.36Å; I411-F427 HydrophobicContact CG1-CE2 3.96Å; I411-F427 HydrophobicContact CG1-CZ 3.66Å; I411-F450 CarbonylContact O-C 3.59Å; I411-F450 WeakPolarHBondContact O-CA 3.37Å; I411-F450 WeakPolarHBondContact O-CB 3.32Å; I411-G451 PolarHBondContact N-O 3.05Å; I411-G451 PolarHBondContact O-N 3.05Å; I411-V453 HydrophobicContact CD1-CB 3.92Å; I411-V453 HydrophobicContact CD1-CG2 3.71Å; I411-L478 HydrophobicContact CG2-CD2 4.33Å; I411-K479 WeakPolarHBondContact CA-O 3.3Å; I411-V480 HydrophobicContact CG1-CG1 4.35Å; I411-V480 HydrophobicContact CG1-CG2 4.26Å; I411-V480 HydrophobicContact CG2-CG2 4.12Å |
| 412 | Y | 94.5 | Very high | 89.8 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 31% | 0.306 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 161.5 | 172.8 | -52.3 | -105.2 | 0 | 0 | 0 | 111.5 | F410 L414 C449 F450 K479 | F410-Y412 HydrophobicContact CD1-CE1 4.32Å; F410-Y412 AromaticContact CD1-CE2 3.64Å; F410-Y412 HydrophobicContact CD1-CE2 3.64Å; F410-Y412 AromaticContact CD1-CZ 3.55Å; F410-Y412 WeakPolarHBondContact CD1-OH 3.49Å; F410-Y412 AromaticContact CE1-CE1 3.72Å; F410-Y412 HydrophobicContact CE1-CE1 3.72Å; F410-Y412 AromaticContact CE1-CE2 3.9Å; F410-Y412 HydrophobicContact CE1-CE2 3.9Å; F410-Y412 AromaticContact CE1-CZ 3.32Å; F410-Y412 WeakPolarHBondContact CE1-OH 3.41Å; F410-Y412 HydrophobicContact CG-CE2 4.33Å; F410-Y412 HydrophobicContact CZ-CE1 4.12Å; Y412-L414 VanDerWaalsContact C-N 3.32Å; Y412-C449 CarbonylContact C-O 3.58Å; Y412-F450 HydrophobicContact CD1-CB 4.49Å; Y412-K479 HydrophobicContact CD2-CB 4.32Å; Y412-K479 HydrophobicContact CD2-CD 4.03Å; Y412-K479 HydrophobicContact CD2-CG 4.14Å; Y412-K479 HydrophobicContact CE2-CD 4.41Å; Y412-K479 PolarHBondContact N-O 3.04Å; Y412-K479 PolarHBondContact O-N 2.97Å; Y412-K479 VanDerWaalsContact O-N 3.07Å |
| 413 | H | 93.1 | Very high | 90.5 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 40% | 0.398 | 27% | 0.271 | S | S | . | . | S | Bend | trans | 65.8 | 30 | 178.3 | -43.1 | 149.2 | 0 | 0 | 0 | 114.1 | C449 K476 R477 | H413-C449 WeakPolarHBondContact CA-O 3.46Å; H413-C449 PolarHBondContact N-O 3.19Å; H413-K476 HydrophobicContact CB-CB 4.22Å; H413-K476 HydrophobicContact CB-CD 4.3Å; H413-R477 WeakPolarHBondContact CB-O 3.47Å; H413-R477 PolarHBondContact ND1-O 2.84Å |
| 414 | L | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -55.8 | 149.3 | 165.8 | -62.6 | 177.1 | 0 | 0 | 0 | 109.9 | I411 Y412 L423 M426 V438 C449 L478 | I411-L414 HydrophobicContact CB-CD2 4.46Å; I411-L414 HydrophobicContact CG2-CD2 3.6Å; I411-L414 HydrophobicContact CG2-CG 4.09Å; Y412-L414 VanDerWaalsContact C-N 3.32Å; L414-L423 HydrophobicContact CD1-CD1 4.13Å; L414-L423 HydrophobicContact CD1-CD2 4.17Å; L414-L423 HydrophobicContact CD2-CD1 3.8Å; L414-M426 HydrophobicContact CD2-CE 4.2Å; L414-V438 HydrophobicContact CD1-CG1 4.37Å; L414-V438 HydrophobicContact CD1-CG2 3.81Å; L414-C449 PolarHBondContact N-O 3.3Å; L414-C449 VanDerWaalsContact O-CB 3.28Å; L414-C449 WeakPolarHBondContact O-CB 3.15Å; L414-L478 HydrophobicContact CD2-CD2 3.91Å | ||
| 415 | P | 89.2 | Confident | 91.7 | Very high | 20 Ų | 20 | 58 Ų | 58 | 13% | 0.13 | 30% | 0.297 | C | S | . | . | trans | -56 | 158.1 | 165.8 | -22.2 | 34.4 | 0 | 0 | 0 | 111.4 | E417 F418 I473 | P415-E417 VanDerWaalsContact C-N 3.28Å; P415-E417 VanDerWaalsContact CB-CD 3.5Å; P415-E417 HydrophobicContact CB-CG 4Å; P415-E417 WeakPolarHBondContact CB-OE2 3.35Å; P415-F418 HydrophobicContact CB-CB 4.47Å; P415-F418 HydrophobicContact CB-CD2 3.7Å; P415-F418 HydrophobicContact CB-CE2 4.28Å; P415-F418 HydrophobicContact CB-CG 4.27Å; P415-F418 HydrophobicContact CG-CD2 3.57Å; P415-F418 HydrophobicContact CG-CE2 3.77Å; P415-F418 HydrophobicContact CG-CG 4.06Å; P415-F418 HydrophobicContact CG-CZ 4.41Å; P415-F418 PolarHBondContact O-N 3.42Å; P415-I473 HydrophobicContact CG-CD1 3.52Å; P415-I473 HydrophobicContact CG-CG1 3.73Å; P415-I473 HydrophobicContact CG-CG2 4.04Å | ||
| 416 | Q | 86.9 | Confident | 92.3 | Very high | 105 Ų | 105 | 51.7 Ų | 51.7 | 49% | 0.491 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -25.7 | -177.8 | -174.7 | 170.9 | -29 | 0 | 0 | 111.7 | S447 | Q416-S447 WeakPolarHBondContact O-CB 3.38Š|
| 417 | E | 88.3 | Confident | 92.7 | Very high | 154 Ų | 154 | 50.1 Ų | 50.1 | 72% | 0.72 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -6.3 | 176.2 | 61.5 | -91.1 | -126.1 | 0 | 0 | 114.3 | P415 | P415-E417 VanDerWaalsContact C-N 3.28Å; P415-E417 VanDerWaalsContact CB-CD 3.5Å; P415-E417 HydrophobicContact CB-CG 4Å; P415-E417 WeakPolarHBondContact CB-OE2 3.35Å |
| 418 | F | 88 | Confident | 92.8 | Very high | 43 Ų | 43 | 54.1 Ų | 54.1 | 19% | 0.189 | 27% | 0.273 | C | S | . | . | trans | -81.6 | 124.9 | 176.7 | -94.7 | -131.3 | 0 | 0 | 0 | 111.3 | P415 E422 M426 I473 | P415-F418 HydrophobicContact CB-CB 4.47Å; P415-F418 HydrophobicContact CB-CD2 3.7Å; P415-F418 HydrophobicContact CB-CE2 4.28Å; P415-F418 HydrophobicContact CB-CG 4.27Å; P415-F418 HydrophobicContact CG-CD2 3.57Å; P415-F418 HydrophobicContact CG-CE2 3.77Å; P415-F418 HydrophobicContact CG-CG 4.06Å; P415-F418 HydrophobicContact CG-CZ 4.41Å; P415-F418 PolarHBondContact O-N 3.42Å; F418-E422 HydrophobicContact CD1-CB 3.87Å; F418-E422 HydrophobicContact CD2-CB 4.38Å; F418-E422 HydrophobicContact CE1-CB 4.11Å; F418-E422 HydrophobicContact CG-CB 4.02Å; F418-E422 HydrophobicContact CZ-CB 4.48Å; F418-M426 HydrophobicContact CD1-CE 4.49Å; F418-M426 HydrophobicContact CE1-CB 4.47Å; F418-M426 HydrophobicContact CE1-CE 3.98Å; F418-M426 HydrophobicContact CE1-SD 3.73Å; F418-M426 HydrophobicContact CZ-SD 4.3Å; F418-I473 HydrophobicContact CE1-CD1 4.25Å; F418-I473 HydrophobicContact CE2-CD1 4.01Å; F418-I473 HydrophobicContact CZ-CD1 3.65Å | ||
| 419 | G | 90.9 | Very high | 92.9 | Very high | 24 Ų | 24 | 58.2 Ų | 58.2 | 25% | 0.247 | 30% | 0.301 | C | S | . | . | trans | -105.5 | -168.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 113 | A421 E422 L423 V438 | G419-A421 VanDerWaalsContact C-N 3.3Å; G419-A421 PolarHBondContact O-N 2.81Å; G419-E422 VanDerWaalsContact C-OE2 3.25Å; G419-E422 WeakPolarHBondContact CA-OE2 3.38Å; G419-E422 PolarHBondContact N-OE2 2.85Å; G419-L423 VanDerWaalsContact O-CB 3.31Å; G419-L423 WeakPolarHBondContact O-CB 3.41Å; G419-L423 PolarHBondContact O-N 2.84Å; G419-V438 VanDerWaalsContact C-CG2 3.45Å; G419-V438 WeakPolarHBondContact O-CG2 3.31Å | ||
| 420 | D | 93.1 | Very high | 92.8 | Very high | 79 Ų | 79 | 60.6 Ų | 60.6 | 42% | 0.422 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.3 | -36.1 | -176.2 | -66.2 | -0.6 | 0 | 0 | 0 | 112.3 | M424 K437 V438 | D420-M424 WeakPolarHBondContact O-CB 3.48Å; D420-M424 PolarHBondContact O-N 2.87Å; D420-K437 WeakPolarHBondContact OD1-CA 3.31Å; D420-V438 PolarHBondContact OD1-N 3.18Å |
| 421 | A | 91.8 | Very high | 92.6 | Very high | 55 Ų | 55 | 59.5 Ų | 59.5 | 46% | 0.455 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -73.7 | -44.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112 | G419 L423 M424 Q425 | G419-A421 VanDerWaalsContact C-N 3.3Å; G419-A421 PolarHBondContact O-N 2.81Å; A421-L423 VanDerWaalsContact C-N 3.35Å; A421-M424 WeakPolarHBondContact O-CB 3.38Å; A421-M424 PolarHBondContact O-N 2.87Å; A421-Q425 WeakPolarHBondContact O-CB 3.23Å; A421-Q425 PolarHBondContact O-N 3.34Å |
| 422 | E | 93.6 | Very high | 92.5 | Very high | 88 Ų | 88 | 64 Ų | 64 | 41% | 0.411 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.8 | -40.6 | 178.5 | -60.3 | 65.8 | -138.7 | 0 | 0 | 110.1 | F418 G419 Q425 M426 | F418-E422 HydrophobicContact CD1-CB 3.87Å; F418-E422 HydrophobicContact CD2-CB 4.38Å; F418-E422 HydrophobicContact CE1-CB 4.11Å; F418-E422 HydrophobicContact CG-CB 4.02Å; F418-E422 HydrophobicContact CZ-CB 4.48Å; G419-E422 VanDerWaalsContact C-OE2 3.25Å; G419-E422 WeakPolarHBondContact CA-OE2 3.38Å; G419-E422 PolarHBondContact N-OE2 2.85Å; E422-Q425 PolarHBondContact O-N 3Å; E422-M426 VanDerWaalsContact O-CB 3.31Å; E422-M426 WeakPolarHBondContact O-CB 3.18Å; E422-M426 PolarHBondContact O-N 3.03Å |
| 423 | L | 94.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -62.4 | -42.1 | 172.6 | -179 | 61.8 | 0 | 0 | 0 | 111.8 | L414 G419 A421 M426 F427 A436 V438 V453 | L414-L423 HydrophobicContact CD1-CD1 4.13Å; L414-L423 HydrophobicContact CD1-CD2 4.17Å; L414-L423 HydrophobicContact CD2-CD1 3.8Å; G419-L423 VanDerWaalsContact O-CB 3.31Å; G419-L423 WeakPolarHBondContact O-CB 3.41Å; G419-L423 PolarHBondContact O-N 2.84Å; A421-L423 VanDerWaalsContact C-N 3.35Å; L423-M426 HydrophobicContact CD1-CE 4.28Å; L423-F427 HydrophobicContact CD1-CD2 3.9Å; L423-F427 HydrophobicContact CD1-CE2 3.75Å; L423-F427 WeakPolarHBondContact O-CD2 3.02Å; L423-A436 HydrophobicContact CB-CB 4.41Å; L423-A436 HydrophobicContact CD2-CB 4.29Å; L423-A436 HydrophobicContact CG-CB 4.13Å; L423-V438 HydrophobicContact CB-CG2 4.02Å; L423-V438 HydrophobicContact CD2-CG2 3.79Å; L423-V453 HydrophobicContact CD1-CG2 3.86Å; L423-V453 HydrophobicContact CD2-CG2 3.99Å; L423-V453 HydrophobicContact CG-CG2 3.66Å |
| 424 | M | 94.3 | Very high | 92.4 | Very high | 80 Ų | 80 | 60 Ų | 60 | 39% | 0.394 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -52.9 | 175 | -172.4 | 169.3 | 64 | 0 | 0 | 111 | D420 A421 M426 F427 L428 V433 A436 | D420-M424 WeakPolarHBondContact O-CB 3.48Å; D420-M424 PolarHBondContact O-N 2.87Å; A421-M424 WeakPolarHBondContact O-CB 3.38Å; A421-M424 PolarHBondContact O-N 2.87Å; M424-M426 VanDerWaalsContact C-N 3.29Å; M424-M426 PolarHBondContact O-N 3.34Å; M424-F427 PolarHBondContact O-N 3.39Å; M424-L428 HydrophobicContact CG-CG 4.44Å; M424-L428 WeakPolarHBondContact O-CG 3.31Å; M424-L428 PolarHBondContact O-N 2.74Å; M424-V433 HydrophobicContact CG-CB 4.24Å; M424-V433 HydrophobicContact CG-CG1 3.99Å; M424-A436 HydrophobicContact CB-CB 3.73Å; M424-A436 HydrophobicContact CG-CB 4.4Å |
| 425 | Q | 93.3 | Very high | 92.4 | Very high | 146 Ų | 146 | 60.9 Ų | 60.9 | 68% | 0.682 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -61.1 | -36.3 | -175.9 | -175.8 | 172.9 | -16.6 | 0 | 0 | 112.6 | A421 E422 F427 | A421-Q425 WeakPolarHBondContact O-CB 3.23Å; A421-Q425 PolarHBondContact O-N 3.34Å; E422-Q425 PolarHBondContact O-N 3Å; Q425-F427 VanDerWaalsContact C-N 3.25Å; Q425-F427 PolarHBondContact O-N 2.78Å |
| 426 | M | 93.7 | Very high | 92.6 | Very high | 34 Ų | 34 | 60.7 Ų | 60.7 | 17% | 0.167 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.9 | -24.8 | 175.5 | -174.2 | 172.2 | 69 | 0 | 0 | 113.4 | L414 F418 E422 L423 M424 M468 I473 L478 | L414-M426 HydrophobicContact CD2-CE 4.2Å; F418-M426 HydrophobicContact CD1-CE 4.49Å; F418-M426 HydrophobicContact CE1-CB 4.47Å; F418-M426 HydrophobicContact CE1-CE 3.98Å; F418-M426 HydrophobicContact CE1-SD 3.73Å; F418-M426 HydrophobicContact CZ-SD 4.3Å; E422-M426 VanDerWaalsContact O-CB 3.31Å; E422-M426 WeakPolarHBondContact O-CB 3.18Å; E422-M426 PolarHBondContact O-N 3.03Å; L423-M426 HydrophobicContact CD1-CE 4.28Å; M424-M426 VanDerWaalsContact C-N 3.29Å; M424-M426 PolarHBondContact O-N 3.34Å; M426-M468 HydrophobicContact CE-CE 4.2Å; M426-M468 HydrophobicContact CG-CE 3.65Å; M426-M468 HydrophobicContact SD-CE 3.69Å; M426-I473 HydrophobicContact SD-CD1 4.45Å; M426-L478 HydrophobicContact CE-CD1 3.62Å; M426-L478 HydrophobicContact SD-CD1 4.02Å |
| 427 | F | 95.1 | Very high | 93 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -103.6 | -15.6 | -177.3 | -83.9 | -91.7 | 0 | 0 | 0 | 114.9 | L409 I411 L423 M424 Q425 P429 F430 V433 V453 F455 A464 M468 V480 | L409-F427 HydrophobicContact CD1-CD1 4.27Å; L409-F427 HydrophobicContact CD1-CE1 3.9Å; I411-F427 HydrophobicContact CD1-CZ 4.36Å; I411-F427 HydrophobicContact CG1-CE2 3.96Å; I411-F427 HydrophobicContact CG1-CZ 3.66Å; L423-F427 HydrophobicContact CD1-CD2 3.9Å; L423-F427 HydrophobicContact CD1-CE2 3.75Å; L423-F427 WeakPolarHBondContact O-CD2 3.02Å; M424-F427 PolarHBondContact O-N 3.39Å; Q425-F427 VanDerWaalsContact C-N 3.25Å; Q425-F427 PolarHBondContact O-N 2.78Å; F427-P429 VanDerWaalsContact C-N 3.32Å; F427-F430 HydrophobicContact CD1-CD2 4.24Å; F427-F430 WeakPolarHBondContact O-CD2 3.44Å; F427-F430 PolarHBondContact O-N 2.82Å; F427-V433 HydrophobicContact CB-CG2 4.21Å; F427-V453 HydrophobicContact CB-CG1 3.91Å; F427-V453 HydrophobicContact CB-CG2 4.37Å; F427-V453 HydrophobicContact CD1-CG1 4.34Å; F427-V453 HydrophobicContact CD2-CG2 3.87Å; F427-V453 HydrophobicContact CE2-CG2 4.28Å; F427-V453 HydrophobicContact CG-CB 4.45Å; F427-V453 HydrophobicContact CG-CG1 4.1Å; F427-V453 HydrophobicContact CG-CG2 4.04Å; F427-F455 HydrophobicContact CB-CZ 4Å; F427-F455 HydrophobicContact CD1-CE2 4.1Å; F427-F455 HydrophobicContact CD1-CZ 4.01Å; F427-F455 WeakPolarHBondContact O-CZ 3.5Å; F427-A464 HydrophobicContact CD1-CB 3.82Å; F427-A464 HydrophobicContact CE1-CB 3.94Å; F427-M468 HydrophobicContact CE1-CB 4.2Å; F427-M468 HydrophobicContact CE1-CG 4.11Å; F427-M468 HydrophobicContact CZ-CB 4.15Å; F427-M468 HydrophobicContact CZ-CG 4.3Å; F427-V480 HydrophobicContact CE1-CG1 4.11Å; F427-V480 HydrophobicContact CZ-CG1 4.21Å; F427-V480 HydrophobicContact CZ-CG2 4Å |
| 428 | L | 94.4 | Very high | 93.3 | Very high | 84 Ų | 84 | 52.2 Ų | 52.2 | 44% | 0.44 | 29% | 0.288 | S | S | . | . | G | 310 helix | trans | -50.6 | -36.2 | 173.8 | -75.8 | 176.5 | 0 | 0 | 0 | 115.4 | M424 F430 G431 V433 | M424-L428 HydrophobicContact CG-CG 4.44Å; M424-L428 WeakPolarHBondContact O-CG 3.31Å; M424-L428 PolarHBondContact O-N 2.74Å; L428-F430 PolarHBondContact O-N 2.83Å; L428-F430 VanDerWaalsContact O-N 3.08Å; L428-G431 PolarHBondContact O-N 2.64Å; L428-G431 VanDerWaalsContact O-N 3.12Å; L428-G431 VanDerWaalsContact O-O 3.1Å; L428-V433 HydrophobicContact CD2-CB 4.2Å; L428-V433 HydrophobicContact CD2-CG2 4.17Å |
| 429 | P | 95.9 | Very high | 93.5 | Very high | 104 Ų | 104 | 53.7 Ų | 53.7 | 68% | 0.675 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -61.3 | -18.4 | 180 | -26.8 | 36.8 | 0 | 0 | 0 | 115.1 | F427 | F427-P429 VanDerWaalsContact C-N 3.32Š|
| 430 | F | 94.1 | Very high | 93.5 | Very high | 50 Ų | 50 | 56.5 Ų | 56.5 | 22% | 0.219 | 31% | 0.307 | C | S | . | . | G | 310 helix | trans | -94.7 | -12.9 | -179.7 | -49.4 | -67.2 | 0 | 0 | 0 | 112.9 | F427 L428 F455 S460 A464 A467 M468 | F427-F430 HydrophobicContact CD1-CD2 4.24Å; F427-F430 WeakPolarHBondContact O-CD2 3.44Å; F427-F430 PolarHBondContact O-N 2.82Å; L428-F430 PolarHBondContact O-N 2.83Å; L428-F430 VanDerWaalsContact O-N 3.08Å; F430-F455 HydrophobicContact CB-CE1 4.33Å; F430-F455 HydrophobicContact CB-CZ 4.1Å; F430-S460 WeakPolarHBondContact O-CA 3.42Å; F430-S460 WeakPolarHBondContact O-CB 3.29Å; F430-S460 PolarHBondContact O-OG 3.05Å; F430-A464 HydrophobicContact CB-CB 3.77Å; F430-A464 HydrophobicContact CD2-CB 3.87Å; F430-A464 HydrophobicContact CG-CB 3.83Å; F430-A467 HydrophobicContact CD1-CB 4.16Å; F430-A467 HydrophobicContact CE1-CB 3.34Å; F430-A467 HydrophobicContact CZ-CB 3.73Å; F430-M468 HydrophobicContact CD2-CG 4.26Å; F430-M468 HydrophobicContact CE2-CG 3.4Å; F430-M468 HydrophobicContact CE2-SD 3.66Å; F430-M468 HydrophobicContact CZ-CG 3.65Å; F430-M468 HydrophobicContact CZ-SD 3.57Å; F430-M468 VanDerWaalsContact CZ-SD 3.57Å |
| 431 | G | 90.9 | Very high | 93.3 | Very high | 20 Ų | 20 | 54.9 Ų | 54.9 | 21% | 0.206 | 30% | 0.298 | C | S | . | . | S | Bend | trans | 155.9 | -176.8 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L428 V433 S460 | L428-G431 PolarHBondContact O-N 2.64Å; L428-G431 VanDerWaalsContact O-N 3.12Å; L428-G431 VanDerWaalsContact O-O 3.1Å; G431-V433 PolarHBondContact O-N 3.47Å; G431-S460 WeakPolarHBondContact CA-OG 3.37Å |
| 432 | N | 92.9 | Very high | 93 | Very high | 93 Ų | 93 | 63.4 Ų | 63.4 | 50% | 0.497 | 32% | 0.319 | S | S | . | . | trans | -72.4 | 114.3 | 179.2 | 177.9 | 36.2 | 0 | 0 | 0 | 111.2 | F455 D456 | N432-F455 WeakPolarHBondContact O-CA 3.4Å; N432-D456 WeakPolarHBondContact CB-OD2 3.2Å; N432-D456 PolarHBondContact ND2-OD2 2.65Å; N432-D456 PolarHBondContact O-N 2.9Å; N432-D456 VanDerWaalsContact O-N 3.16Å | ||
| 433 | V | 94.3 | Very high | 92.7 | Very high | 13 Ų | 13 | 63.5 Ų | 63.5 | 8% | 0.079 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 114.1 | 179.7 | 176.2 | 0 | 0 | 0 | 0 | 109.6 | M424 F427 L428 G431 S435 A436 V453 S454 F455 | M424-V433 HydrophobicContact CG-CB 4.24Å; M424-V433 HydrophobicContact CG-CG1 3.99Å; F427-V433 HydrophobicContact CB-CG2 4.21Å; L428-V433 HydrophobicContact CD2-CB 4.2Å; L428-V433 HydrophobicContact CD2-CG2 4.17Å; G431-V433 PolarHBondContact O-N 3.47Å; V433-S435 WeakPolarHBondContact CG1-O 3.21Å; V433-A436 HydrophobicContact CG1-CB 4.36Å; V433-V453 HydrophobicContact CG1-CG1 3.91Å; V433-V453 HydrophobicContact CG2-CG1 4.01Å; V433-S454 CarbonylContact C-O 3.54Å; V433-F455 HydrophobicContact CG2-CD1 4.06Å; V433-F455 HydrophobicContact CG2-CE1 3.61Å; V433-F455 HydrophobicContact CG2-CZ 4.07Å |
| 434 | I | 91.9 | Very high | 92.4 | Very high | 68 Ų | 68 | 67.1 Ų | 67.1 | 35% | 0.349 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.1 | -39.9 | 174.4 | -65.2 | -176.2 | 0 | 0 | 0 | 111.2 | R401 S454 D456 | R401-I434 HydrophobicContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact CB-CG2 3.47Å; R401-I434 VanDerWaalsContact O-CG2 3.24Å; R401-I434 WeakPolarHBondContact O-CG2 3.25Å; I434-S454 PolarHBondContact N-O 2.86Å; I434-D456 HydrophobicContact CD1-CB 3.7Å; I434-D456 HydrophobicContact CG1-CB 3.87Å |
| 435 | S | 92.4 | Very high | 91.9 | Very high | 18 Ų | 18 | 69.5 Ų | 69.5 | 13% | 0.126 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.2 | 149.3 | 172.7 | 67.4 | 0 | 0 | 0 | 0 | 112.2 | R401 V433 V453 S454 | R401-S435 PolarHBondContact O-OG 3.25Å; V433-S435 WeakPolarHBondContact CG1-O 3.21Å; S435-V453 CarbonylContact O-C 3.52Å; S435-V453 WeakPolarHBondContact O-CA 3.27Å; S435-S454 PolarHBondContact N-O 3.07Å; S435-S454 PolarHBondContact O-N 3.35Å; S435-S454 PolarHBondContact OG-OG 2.69Å |
| 436 | A | 94.9 | Very high | 91.6 | Very high | 16 Ų | 16 | 67.3 Ų | 67.3 | 13% | 0.132 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 148.1 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | L423 M424 V433 F452 V453 | L423-A436 HydrophobicContact CB-CB 4.41Å; L423-A436 HydrophobicContact CD2-CB 4.29Å; L423-A436 HydrophobicContact CG-CB 4.13Å; M424-A436 HydrophobicContact CB-CB 3.73Å; M424-A436 HydrophobicContact CG-CB 4.4Å; V433-A436 HydrophobicContact CG1-CB 4.36Å; A436-F452 CarbonylContact C-O 3.59Å; A436-F452 WeakPolarHBondContact CA-O 3.4Å; A436-V453 HydrophobicContact CB-CG2 4.12Å |
| 437 | K | 94.5 | Very high | 91.4 | Very high | 76 Ų | 76 | 66.4 Ų | 66.4 | 33% | 0.33 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 124.5 | 175 | -168 | 174.5 | -169.9 | 166.9 | 0 | 113.3 | D420 F439 G451 F452 | D420-K437 WeakPolarHBondContact OD1-CA 3.31Å; K437-F439 HydrophobicContact CD-CE2 4.12Å; K437-F439 HydrophobicContact CG-CE2 4.27Å; K437-G451 CarbonylContact O-C 3.45Å; K437-G451 WeakPolarHBondContact O-CA 3.4Å; K437-F452 PolarHBondContact N-O 3.48Å; K437-F452 PolarHBondContact O-N 3.49Å |
| 438 | V | 94.1 | Very high | 91.2 | Very high | 6 Ų | 6 | 71.2 Ų | 71.2 | 4% | 0.036 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 141.2 | 167.8 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | L414 G419 D420 L423 S447 | L414-V438 HydrophobicContact CD1-CG1 4.37Å; L414-V438 HydrophobicContact CD1-CG2 3.81Å; G419-V438 VanDerWaalsContact C-CG2 3.45Å; G419-V438 WeakPolarHBondContact O-CG2 3.31Å; D420-V438 PolarHBondContact OD1-N 3.18Å; L423-V438 HydrophobicContact CB-CG2 4.02Å; L423-V438 HydrophobicContact CD2-CG2 3.79Å; V438-S447 WeakPolarHBondContact CG1-OG 3.44Å |
| 439 | F | 91.9 | Very high | 91.1 | Very high | 74 Ų | 74 | 68.5 Ų | 68.5 | 33% | 0.325 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 111.6 | 176.7 | -84.8 | -116.5 | 0 | 0 | 0 | 109.5 | K437 K448 F450 F452 | K437-F439 HydrophobicContact CD-CE2 4.12Å; K437-F439 HydrophobicContact CG-CE2 4.27Å; F439-K448 WeakPolarHBondContact O-CB 3.48Å; F439-K448 WeakPolarHBondContact O-CG 3.32Å; F439-K448 PolarHBondContact O-N 3.08Å; F439-F450 HydrophobicContact CB-CD2 3.87Å; F439-F450 HydrophobicContact CB-CE1 4.4Å; F439-F450 HydrophobicContact CB-CE2 3.36Å; F439-F450 HydrophobicContact CB-CZ 3.66Å; F439-F450 AromaticContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CZ 4.24Å; F439-F450 HydrophobicContact CD2-CD2 4.41Å; F439-F450 HydrophobicContact CD2-CE2 4Å; F439-F450 HydrophobicContact CG-CD2 4.2Å; F439-F450 AromaticContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CE2 3.48Å; F439-F450 VanDerWaalsContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CZ 4.06Å; F439-F450 PolarHBondContact N-O 2.96Å; F439-F452 HydrophobicContact CD2-CD2 4.13Å; F439-F452 HydrophobicContact CD2-CE2 4.23Å; F439-F452 AromaticContact CE2-CD2 3.59Å; F439-F452 HydrophobicContact CE2-CD2 3.59Å; F439-F452 AromaticContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CZ-CD2 4.3Å; F439-F452 HydrophobicContact CZ-CE2 4.07Å |
| 440 | V | 91.3 | Very high | 91 | Very high | 83 Ų | 83 | 66 Ų | 66 | 50% | 0.503 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 159.8 | 172.1 | -62.2 | 0 | 0 | 0 | 0 | 111.7 | Q446 K448 | V440-Q446 CarbonylContact C-O 3.55Å; V440-Q446 WeakPolarHBondContact CA-O 3.2Å; V440-K448 WeakPolarHBondContact O-CE 3.18Å |
| 441 | D | 88.9 | Confident | 91 | Very high | 45 Ų | 45 | 63.6 Ų | 63.6 | 24% | 0.241 | 33% | 0.334 | C | S | . | . | trans | -82.8 | 129 | 165.9 | -175.9 | 48.3 | 0 | 0 | 0 | 111.7 | A443 T444 N445 Q446 K448 | D441-A443 VanDerWaalsContact C-N 3.33Å; D441-A443 PolarHBondContact O-N 2.9Å; D441-A443 PolarHBondContact OD2-N 3.18Å; D441-T444 WeakPolarHBondContact CB-OG1 3.28Å; D441-T444 PolarHBondContact OD2-N 3.09Å; D441-T444 PolarHBondContact OD2-OG1 3.44Å; D441-N445 WeakPolarHBondContact O-CA 3.33Å; D441-N445 PolarHBondContact O-N 3.17Å; D441-Q446 PolarHBondContact N-O 2.85Å; D441-K448 VanDerWaalsContact CB-CE 3.43Å; D441-K448 HydrophobicContact CB-CG 4.39Å; D441-K448 WeakPolarHBondContact OD1-CE 3.34Å; D441-K448 IonicContact OD1-NZ 3.67Å; D441-K448 PolarHBondContact OD1-NZ 2.57Å | ||
| 442 | R | 85.8 | Confident | 91.3 | Very high | 234 Ų | 234 | 64.2 Ų | 64.2 | 88% | 0.883 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.6 | -19.7 | -175.6 | -167.3 | 175.2 | -179.3 | -170.6 | 0.2 | 113.3 | ||
| 443 | A | 86.7 | Confident | 91.4 | Very high | 89 Ų | 89 | 59.8 Ų | 59.8 | 74% | 0.736 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.4 | -38 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D441 | D441-A443 VanDerWaalsContact C-N 3.33Å; D441-A443 PolarHBondContact O-N 2.9Å; D441-A443 PolarHBondContact OD2-N 3.18Å |
| 444 | T | 88.8 | Confident | 91.5 | Very high | 76 Ų | 76 | 59.2 Ų | 59.2 | 47% | 0.466 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | -9.9 | -175.9 | 58.5 | 0 | 0 | 0 | 0 | 115 | D441 Q446 | D441-T444 WeakPolarHBondContact CB-OG1 3.28Å; D441-T444 PolarHBondContact OD2-N 3.09Å; D441-T444 PolarHBondContact OD2-OG1 3.44Å; T444-Q446 PolarHBondContact O-N 2.99Å; T444-Q446 VanDerWaalsContact O-N 3.15Å |
| 445 | N | 84.6 | Confident | 91.6 | Very high | 130 Ų | 130 | 56 Ų | 56 | 70% | 0.695 | 29% | 0.288 | S | S | * | . | trans | 57.1 | 12.7 | -169.7 | -65.4 | -75.6 | 0 | 0 | 0 | 115.4 | D441 | D441-N445 WeakPolarHBondContact O-CA 3.33Å; D441-N445 PolarHBondContact O-N 3.17Å | ||
| 446 | Q | 85.7 | Confident | 91.6 | Very high | 100 Ų | 100 | 58.1 Ų | 58.1 | 47% | 0.467 | 30% | 0.298 | S | S | . | . | trans | -87.8 | 146.5 | 179 | -62.6 | -176.7 | 108.3 | 0 | 0 | 111.7 | V440 D441 T444 | V440-Q446 CarbonylContact C-O 3.55Å; V440-Q446 WeakPolarHBondContact CA-O 3.2Å; D441-Q446 PolarHBondContact N-O 2.85Å; T444-Q446 PolarHBondContact O-N 2.99Å; T444-Q446 VanDerWaalsContact O-N 3.15Å | ||
| 447 | S | 90.3 | Very high | 91.4 | Very high | 15 Ų | 15 | 59.6 Ų | 59.6 | 11% | 0.105 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.8 | 134.3 | 174.9 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | Q416 V438 C449 | Q416-S447 WeakPolarHBondContact O-CB 3.38Å; V438-S447 WeakPolarHBondContact CG1-OG 3.44Å; S447-C449 PolarHBondContact O-N 3.24Å; S447-C449 PolarHBondContact OG-N 3.39Å; S447-C449 VanDerWaalsContact OG-N 3.09Å |
| 448 | K | 91.3 | Very high | 91.3 | Very high | 102 Ų | 102 | 59.1 Ų | 59.1 | 44% | 0.443 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 12.3 | 170.4 | -57.6 | -168.8 | 179.6 | -163.3 | 0 | 112.7 | F439 V440 D441 F450 | F439-K448 WeakPolarHBondContact O-CB 3.48Å; F439-K448 WeakPolarHBondContact O-CG 3.32Å; F439-K448 PolarHBondContact O-N 3.08Å; V440-K448 WeakPolarHBondContact O-CE 3.18Å; D441-K448 VanDerWaalsContact CB-CE 3.43Å; D441-K448 HydrophobicContact CB-CG 4.39Å; D441-K448 WeakPolarHBondContact OD1-CE 3.34Å; D441-K448 IonicContact OD1-NZ 3.67Å; D441-K448 PolarHBondContact OD1-NZ 2.57Å; K448-F450 HydrophobicContact CB-CD1 3.7Å; K448-F450 HydrophobicContact CB-CE1 3.56Å; K448-F450 HydrophobicContact CB-CZ 4.43Å; K448-F450 HydrophobicContact CD-CE1 4.14Å; K448-F450 HydrophobicContact CG-CE1 4.44Å; K448-F450 WeakPolarHBondContact O-CD1 3.44Å; K448-F450 PolarHBondContact O-N 3.19Å |
| 449 | C | 91.4 | Very high | 91.3 | Very high | 26 Ų | 26 | 63 Ų | 63 | 18% | 0.176 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 57.8 | 25.8 | -179 | -58.5 | 0 | 0 | 0 | 0 | 113.8 | Y412 H413 L414 S447 | Y412-C449 CarbonylContact C-O 3.58Å; H413-C449 WeakPolarHBondContact CA-O 3.46Å; H413-C449 PolarHBondContact N-O 3.19Å; L414-C449 PolarHBondContact N-O 3.3Å; L414-C449 VanDerWaalsContact O-CB 3.28Å; L414-C449 WeakPolarHBondContact O-CB 3.15Å; S447-C449 PolarHBondContact O-N 3.24Å; S447-C449 PolarHBondContact OG-N 3.39Å; S447-C449 VanDerWaalsContact OG-N 3.09Å |
| 450 | F | 94.8 | Very high | 91.5 | Very high | 52 Ų | 52 | 60.2 Ų | 60.2 | 23% | 0.228 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 155.8 | 175.3 | 75.2 | -106.2 | 0 | 0 | 0 | 112.6 | F410 I411 Y412 F439 K448 | F410-F450 HydrophobicContact CE2-CB 4.49Å; F410-F450 AromaticContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CD2 3.56Å; F410-F450 HydrophobicContact CE2-CE2 4.06Å; F410-F450 HydrophobicContact CE2-CG 4.31Å; F410-F450 AromaticContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CD2 3.97Å; F410-F450 HydrophobicContact CZ-CE2 4.26Å; F410-F450 HydrophobicContact CZ-CG 4.49Å; I411-F450 CarbonylContact O-C 3.59Å; I411-F450 WeakPolarHBondContact O-CA 3.37Å; I411-F450 WeakPolarHBondContact O-CB 3.32Å; Y412-F450 HydrophobicContact CD1-CB 4.49Å; F439-F450 HydrophobicContact CB-CD2 3.87Å; F439-F450 HydrophobicContact CB-CE1 4.4Å; F439-F450 HydrophobicContact CB-CE2 3.36Å; F439-F450 HydrophobicContact CB-CZ 3.66Å; F439-F450 AromaticContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CE2 3.95Å; F439-F450 HydrophobicContact CD1-CZ 4.24Å; F439-F450 HydrophobicContact CD2-CD2 4.41Å; F439-F450 HydrophobicContact CD2-CE2 4Å; F439-F450 HydrophobicContact CG-CD2 4.2Å; F439-F450 AromaticContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CE2 3.48Å; F439-F450 VanDerWaalsContact CG-CE2 3.48Å; F439-F450 HydrophobicContact CG-CZ 4.06Å; F439-F450 PolarHBondContact N-O 2.96Å; K448-F450 HydrophobicContact CB-CD1 3.7Å; K448-F450 HydrophobicContact CB-CE1 3.56Å; K448-F450 HydrophobicContact CB-CZ 4.43Å; K448-F450 HydrophobicContact CD-CE1 4.14Å; K448-F450 HydrophobicContact CG-CE1 4.44Å; K448-F450 WeakPolarHBondContact O-CD1 3.44Å; K448-F450 PolarHBondContact O-N 3.19Å |
| 451 | G | 94.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.1 | 175.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | F410 I411 K437 | F410-G451 WeakPolarHBondContact CD2-O 3.38Å; I411-G451 PolarHBondContact N-O 3.05Å; I411-G451 PolarHBondContact O-N 3.05Å; K437-G451 CarbonylContact O-C 3.45Å; K437-G451 WeakPolarHBondContact O-CA 3.4Å |
| 452 | F | 95.8 | Very high | 92 | Very high | 32 Ų | 32 | 57.8 Ų | 57.8 | 14% | 0.14 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 148.5 | 174.9 | -62.4 | -93.6 | 0 | 0 | 0 | 110.3 | L409 F410 A436 K437 F439 K483 | L409-F452 VanDerWaalsContact O-CA 3.27Å; L409-F452 WeakPolarHBondContact O-CA 3.14Å; L409-F452 WeakPolarHBondContact O-CD1 3.44Å; F410-F452 HydrophobicContact CB-CD1 4.04Å; F410-F452 HydrophobicContact CB-CE1 3.94Å; F410-F452 HydrophobicContact CD1-CE1 4.38Å; F410-F452 AromaticContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD1 3.53Å; F410-F452 HydrophobicContact CD2-CD2 4.09Å; F410-F452 AromaticContact CD2-CE1 3.18Å; F410-F452 HydrophobicContact CD2-CE1 3.18Å; F410-F452 AromaticContact CD2-CE2 3.8Å; F410-F452 HydrophobicContact CD2-CE2 3.8Å; F410-F452 AromaticContact CD2-CG 3.98Å; F410-F452 HydrophobicContact CD2-CG 3.98Å; F410-F452 AromaticContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CD2-CZ 3.34Å; F410-F452 HydrophobicContact CE2-CD1 4.28Å; F410-F452 HydrophobicContact CE2-CD2 4.17Å; F410-F452 AromaticContact CE2-CE1 3.66Å; F410-F452 HydrophobicContact CE2-CE1 3.66Å; F410-F452 AromaticContact CE2-CE2 3.54Å; F410-F452 HydrophobicContact CE2-CE2 3.54Å; F410-F452 AromaticContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CE2-CZ 3.25Å; F410-F452 HydrophobicContact CG-CD1 4.07Å; F410-F452 AromaticContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CE1 3.61Å; F410-F452 HydrophobicContact CG-CZ 4.09Å; F410-F452 HydrophobicContact CZ-CE1 4.43Å; F410-F452 HydrophobicContact CZ-CE2 4.46Å; F410-F452 AromaticContact CZ-CZ 3.93Å; F410-F452 HydrophobicContact CZ-CZ 3.93Å; A436-F452 CarbonylContact C-O 3.59Å; A436-F452 WeakPolarHBondContact CA-O 3.4Å; K437-F452 PolarHBondContact N-O 3.48Å; K437-F452 PolarHBondContact O-N 3.49Å; F439-F452 HydrophobicContact CD2-CD2 4.13Å; F439-F452 HydrophobicContact CD2-CE2 4.23Å; F439-F452 AromaticContact CE2-CD2 3.59Å; F439-F452 HydrophobicContact CE2-CD2 3.59Å; F439-F452 AromaticContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CE2-CE2 3.72Å; F439-F452 HydrophobicContact CZ-CD2 4.3Å; F439-F452 HydrophobicContact CZ-CE2 4.07Å; F452-K483 HydrophobicContact CD1-CB 4.46Å; F452-K483 HydrophobicContact CD1-CD 3.9Å; F452-K483 HydrophobicContact CD1-CG 4.21Å; F452-K483 HydrophobicContact CE1-CB 4.5Å; F452-K483 HydrophobicContact CE1-CD 3.84Å; F452-K483 HydrophobicContact CE1-CG 3.91Å |
| 453 | V | 96 | Very high | 92.5 | Very high | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 128.9 | 170.7 | 173.7 | 0 | 0 | 0 | 0 | 108.2 | L409 I411 L423 F427 V433 S435 A436 F455 | L409-V453 HydrophobicContact CB-CB 4.49Å; L409-V453 WeakPolarHBondContact CB-O 3.3Å; L409-V453 PolarHBondContact N-O 3.2Å; L409-V453 PolarHBondContact O-N 3.01Å; L409-V453 VanDerWaalsContact O-N 3.15Å; I411-V453 HydrophobicContact CD1-CB 3.92Å; I411-V453 HydrophobicContact CD1-CG2 3.71Å; L423-V453 HydrophobicContact CD1-CG2 3.86Å; L423-V453 HydrophobicContact CD2-CG2 3.99Å; L423-V453 HydrophobicContact CG-CG2 3.66Å; F427-V453 HydrophobicContact CB-CG1 3.91Å; F427-V453 HydrophobicContact CB-CG2 4.37Å; F427-V453 HydrophobicContact CD1-CG1 4.34Å; F427-V453 HydrophobicContact CD2-CG2 3.87Å; F427-V453 HydrophobicContact CE2-CG2 4.28Å; F427-V453 HydrophobicContact CG-CB 4.45Å; F427-V453 HydrophobicContact CG-CG1 4.1Å; F427-V453 HydrophobicContact CG-CG2 4.04Å; V433-V453 HydrophobicContact CG1-CG1 3.91Å; V433-V453 HydrophobicContact CG2-CG1 4.01Å; S435-V453 CarbonylContact O-C 3.52Å; S435-V453 WeakPolarHBondContact O-CA 3.27Å; A436-V453 HydrophobicContact CB-CG2 4.12Å; V453-F455 HydrophobicContact CG1-CD2 4.22Å; V453-F455 HydrophobicContact CG1-CE2 3.8Å; V453-F455 HydrophobicContact CG1-CZ 4.17Å |
| 454 | S | 95.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 115.7 | -179.7 | -65.6 | 0 | 0 | 0 | 0 | 109.5 | N408 V433 I434 S435 | N408-S454 VanDerWaalsContact OD1-CB 3.24Å; N408-S454 WeakPolarHBondContact OD1-CB 3.27Å; N408-S454 PolarHBondContact OD1-OG 3.48Å; V433-S454 CarbonylContact C-O 3.54Å; I434-S454 PolarHBondContact N-O 2.86Å; S435-S454 PolarHBondContact N-O 3.07Å; S435-S454 PolarHBondContact O-N 3.35Å; S435-S454 PolarHBondContact OG-OG 2.69Å |
| 455 | F | 95.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 162.1 | 170.5 | -72.2 | -82.4 | 0 | 0 | 0 | 111.4 | G403 C407 L409 F427 F430 N432 V433 V453 A461 A464 | G403-F455 WeakPolarHBondContact CA-O 3.4Å; C407-F455 VanDerWaalsContact CB-O 3.3Å; C407-F455 WeakPolarHBondContact CB-O 3.32Å; C407-F455 PolarHBondContact O-N 3.31Å; L409-F455 HydrophobicContact CD1-CD2 4.22Å; L409-F455 HydrophobicContact CD1-CE2 3.73Å; L409-F455 HydrophobicContact CG-CD2 4.44Å; L409-F455 HydrophobicContact CG-CE2 4.41Å; F427-F455 HydrophobicContact CB-CZ 4Å; F427-F455 HydrophobicContact CD1-CE2 4.1Å; F427-F455 HydrophobicContact CD1-CZ 4.01Å; F427-F455 WeakPolarHBondContact O-CZ 3.5Å; F430-F455 HydrophobicContact CB-CE1 4.33Å; F430-F455 HydrophobicContact CB-CZ 4.1Å; N432-F455 WeakPolarHBondContact O-CA 3.4Å; V433-F455 HydrophobicContact CG2-CD1 4.06Å; V433-F455 HydrophobicContact CG2-CE1 3.61Å; V433-F455 HydrophobicContact CG2-CZ 4.07Å; V453-F455 HydrophobicContact CG1-CD2 4.22Å; V453-F455 HydrophobicContact CG1-CE2 3.8Å; V453-F455 HydrophobicContact CG1-CZ 4.17Å; F455-A461 HydrophobicContact CB-CB 4.45Å; F455-A461 HydrophobicContact CD2-CB 3.93Å; F455-A464 HydrophobicContact CE2-CB 3.71Å; F455-A464 HydrophobicContact CZ-CB 3.87Å |
| 456 | D | 91.6 | Very high | 93.8 | Very high | 63 Ų | 63 | 43.4 Ų | 43.4 | 34% | 0.337 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -77.9 | -19 | 171.9 | 67.2 | -6.7 | 0 | 0 | 0 | 114.3 | N432 I434 | N432-D456 WeakPolarHBondContact CB-OD2 3.2Å; N432-D456 PolarHBondContact ND2-OD2 2.65Å; N432-D456 PolarHBondContact O-N 2.9Å; N432-D456 VanDerWaalsContact O-N 3.16Å; I434-D456 HydrophobicContact CD1-CB 3.7Å; I434-D456 HydrophobicContact CG1-CB 3.87Å |
| 457 | N | 91.6 | Very high | 94.2 | Very high | 48 Ų | 48 | 41 Ų | 41 | 26% | 0.257 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -139.9 | 152.1 | -176.9 | 80 | 88.3 | 0 | 0 | 0 | 111.9 | S459 S460 | N457-S459 WeakPolarHBondContact OD1-CB 3.43Å; N457-S459 PolarHBondContact OD1-N 3.46Å; N457-S459 VanDerWaalsContact OD1-N 3.11Å; N457-S460 WeakPolarHBondContact ND2-CB 3.08Å; N457-S460 PolarHBondContact ND2-OG 3.38Å; N457-S460 PolarHBondContact OD1-N 3.34Å; N457-S460 PolarHBondContact OD1-OG 3.01Å |
| 458 | P | 92.3 | Very high | 94.4 | Very high | 65 Ų | 65 | 40.9 Ų | 40.9 | 42% | 0.422 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -76.2 | -25.6 | -174.2 | 29.3 | -34.4 | 0 | 0 | 0 | 112.7 | C407 A461 Q462 | C407-P458 VanDerWaalsContact SG-CA 3.59Å; C407-P458 VanDerWaalsContact SG-CD 3.56Å; P458-A461 PolarHBondContact O-N 2.87Å; P458-Q462 WeakPolarHBondContact O-CG 3.41Å; P458-Q462 PolarHBondContact O-N 3.44Å |
| 459 | S | 94.3 | Very high | 94.6 | Very high | 88 Ų | 88 | 39.8 Ų | 39.8 | 62% | 0.615 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -63.9 | -43.6 | 179.4 | -51.5 | 0 | 0 | 0 | 0 | 111.3 | N457 Q462 A463 | N457-S459 WeakPolarHBondContact OD1-CB 3.43Å; N457-S459 PolarHBondContact OD1-N 3.46Å; N457-S459 VanDerWaalsContact OD1-N 3.11Å; S459-Q462 PolarHBondContact O-N 3.37Å; S459-A463 WeakPolarHBondContact O-CB 3.32Å; S459-A463 PolarHBondContact O-N 2.96Å |
| 460 | S | 96 | Very high | 94.6 | Very high | 15 Ų | 15 | 40 Ų | 40 | 11% | 0.105 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -62.4 | -40.7 | 173.1 | -71.4 | 0 | 0 | 0 | 0 | 112.8 | F430 G431 N457 Q462 A463 A464 | F430-S460 WeakPolarHBondContact O-CA 3.42Å; F430-S460 WeakPolarHBondContact O-CB 3.29Å; F430-S460 PolarHBondContact O-OG 3.05Å; G431-S460 WeakPolarHBondContact CA-OG 3.37Å; N457-S460 WeakPolarHBondContact ND2-CB 3.08Å; N457-S460 PolarHBondContact ND2-OG 3.38Å; N457-S460 PolarHBondContact OD1-N 3.34Å; N457-S460 PolarHBondContact OD1-OG 3.01Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; S460-Q462 PolarHBondContact O-N 3.02Å; S460-A463 PolarHBondContact O-N 2.85Å; S460-A464 VanDerWaalsContact O-CB 3.25Å; S460-A464 WeakPolarHBondContact O-CB 3.49Å; S460-A464 PolarHBondContact O-N 3.03Å |
| 461 | A | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | G406 L409 F455 P458 I465 | G406-A461 WeakPolarHBondContact O-CB 3.35Å; L409-A461 HydrophobicContact CD2-CB 3.96Å; L409-A461 HydrophobicContact CG-CB 4.33Å; F455-A461 HydrophobicContact CB-CB 4.45Å; F455-A461 HydrophobicContact CD2-CB 3.93Å; P458-A461 PolarHBondContact O-N 2.87Å; A461-I465 VanDerWaalsContact O-CG1 3.3Å; A461-I465 WeakPolarHBondContact O-CG1 3.39Å; A461-I465 PolarHBondContact O-N 3.21Å |
| 462 | Q | 95.9 | Very high | 94.4 | Very high | 77 Ų | 77 | 47.2 Ų | 47.2 | 36% | 0.36 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.9 | -43 | 174.5 | -67.1 | -61.2 | -24.9 | 0 | 0 | 112.6 | P458 S459 S460 A464 I465 Q466 | P458-Q462 WeakPolarHBondContact O-CG 3.41Å; P458-Q462 PolarHBondContact O-N 3.44Å; S459-Q462 PolarHBondContact O-N 3.37Å; S460-Q462 VanDerWaalsContact C-N 3.35Å; S460-Q462 PolarHBondContact O-N 3.02Å; Q462-A464 VanDerWaalsContact C-N 3.31Å; Q462-A464 PolarHBondContact O-N 3.1Å; Q462-I465 PolarHBondContact O-N 3.06Å; Q462-Q466 WeakPolarHBondContact O-CG 3.31Å; Q462-Q466 PolarHBondContact O-N 2.92Å |
| 463 | A | 95.4 | Very high | 93.9 | Very high | 40 Ų | 40 | 47.3 Ų | 47.3 | 33% | 0.331 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.6 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.5 | S459 S460 Q466 A467 | S459-A463 WeakPolarHBondContact O-CB 3.32Å; S459-A463 PolarHBondContact O-N 2.96Å; S460-A463 PolarHBondContact O-N 2.85Å; A463-Q466 PolarHBondContact O-N 3.46Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 3.02Å |
| 464 | A | 96 | Very high | 93.4 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.6 | -40.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | L409 F427 F430 F455 S460 Q462 M468 | L409-A464 HydrophobicContact CD1-CB 3.78Å; F427-A464 HydrophobicContact CD1-CB 3.82Å; F427-A464 HydrophobicContact CE1-CB 3.94Å; F430-A464 HydrophobicContact CB-CB 3.77Å; F430-A464 HydrophobicContact CD2-CB 3.87Å; F430-A464 HydrophobicContact CG-CB 3.83Å; F455-A464 HydrophobicContact CE2-CB 3.71Å; F455-A464 HydrophobicContact CZ-CB 3.87Å; S460-A464 VanDerWaalsContact O-CB 3.25Å; S460-A464 WeakPolarHBondContact O-CB 3.49Å; S460-A464 PolarHBondContact O-N 3.03Å; Q462-A464 VanDerWaalsContact C-N 3.31Å; Q462-A464 PolarHBondContact O-N 3.1Å; A464-M468 WeakPolarHBondContact O-CB 3.38Å; A464-M468 PolarHBondContact O-N 3.46Å |
| 465 | I | 96.5 | Very high | 92.9 | Very high | 28 Ų | 28 | 59.7 Ų | 59.7 | 14% | 0.144 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.1 | -48.3 | 172.3 | -71.6 | 161.8 | 0 | 0 | 0 | 110.4 | L409 A461 Q462 A467 N469 V480 L482 | L409-I465 HydrophobicContact CD1-CG1 4.45Å; L409-I465 HydrophobicContact CD2-CD1 3.58Å; L409-I465 HydrophobicContact CD2-CG1 3.66Å; A461-I465 VanDerWaalsContact O-CG1 3.3Å; A461-I465 WeakPolarHBondContact O-CG1 3.39Å; A461-I465 PolarHBondContact O-N 3.21Å; Q462-I465 PolarHBondContact O-N 3.06Å; I465-A467 VanDerWaalsContact C-N 3.35Å; I465-A467 PolarHBondContact O-N 2.81Å; I465-N469 HydrophobicContact CG2-CB 4.43Å; I465-N469 WeakPolarHBondContact O-CB 3.48Å; I465-N469 PolarHBondContact O-N 3.06Å; I465-V480 HydrophobicContact CG1-CG1 3.99Å; I465-L482 HydrophobicContact CD1-CD2 3.82Å; I465-L482 HydrophobicContact CD1-CG 3.86Å |
| 466 | Q | 95.7 | Very high | 92.6 | Very high | 159 Ų | 159 | 65.1 Ų | 65.1 | 74% | 0.743 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | -176.4 | -70.7 | 173.2 | 23.4 | 0 | 0 | 112.9 | Q462 A463 | Q462-Q466 WeakPolarHBondContact O-CG 3.31Å; Q462-Q466 PolarHBondContact O-N 2.92Å; A463-Q466 PolarHBondContact O-N 3.46Å |
| 467 | A | 92.9 | Very high | 92.7 | Very high | 51 Ų | 51 | 68.9 Ų | 68.9 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -85.1 | -38.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F430 A463 I465 | F430-A467 HydrophobicContact CD1-CB 4.16Å; F430-A467 HydrophobicContact CE1-CB 3.34Å; F430-A467 HydrophobicContact CZ-CB 3.73Å; A463-A467 WeakPolarHBondContact O-CB 3.35Å; A463-A467 PolarHBondContact O-N 3.02Å; I465-A467 VanDerWaalsContact C-N 3.35Å; I465-A467 PolarHBondContact O-N 2.81Å |
| 468 | M | 95.5 | Very high | 92.9 | Very high | 12 Ų | 12 | 66.7 Ų | 66.7 | 6% | 0.059 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -101.6 | -17.1 | -169.2 | -57.7 | -59 | -66.3 | 0 | 0 | 114.3 | M426 F427 F430 A464 G470 F471 L478 V480 | M426-M468 HydrophobicContact CE-CE 4.2Å; M426-M468 HydrophobicContact CG-CE 3.65Å; M426-M468 HydrophobicContact SD-CE 3.69Å; F427-M468 HydrophobicContact CE1-CB 4.2Å; F427-M468 HydrophobicContact CE1-CG 4.11Å; F427-M468 HydrophobicContact CZ-CB 4.15Å; F427-M468 HydrophobicContact CZ-CG 4.3Å; F430-M468 HydrophobicContact CD2-CG 4.26Å; F430-M468 HydrophobicContact CE2-CG 3.4Å; F430-M468 HydrophobicContact CE2-SD 3.66Å; F430-M468 HydrophobicContact CZ-CG 3.65Å; F430-M468 HydrophobicContact CZ-SD 3.57Å; F430-M468 VanDerWaalsContact CZ-SD 3.57Å; A464-M468 WeakPolarHBondContact O-CB 3.38Å; A464-M468 PolarHBondContact O-N 3.46Å; M468-G470 PolarHBondContact O-N 3.19Å; M468-F471 HydrophobicContact CE-CB 4.32Å; M468-F471 HydrophobicContact CE-CD1 3.95Å; M468-F471 HydrophobicContact CE-CD2 4.47Å; M468-F471 HydrophobicContact CE-CE1 4.4Å; M468-F471 HydrophobicContact CE-CG 3.99Å; M468-F471 VanDerWaalsContact O-CB 3.28Å; M468-F471 WeakPolarHBondContact O-CB 3.27Å; M468-F471 PolarHBondContact O-N 3.44Å; M468-F471 HydrophobicContact SD-CD2 4.44Å; M468-F471 HydrophobicContact SD-CG 4.4Å; M468-L478 HydrophobicContact CE-CD1 3.88Å; M468-V480 HydrophobicContact CB-CG2 3.87Å |
| 469 | N | 94.5 | Very high | 93.1 | Very high | 79 Ų | 79 | 67.5 Ų | 67.5 | 42% | 0.422 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 115 | 175.3 | -173.8 | 50.8 | 0 | 0 | 0 | 110.7 | I465 K479 V480 | I465-N469 HydrophobicContact CG2-CB 4.43Å; I465-N469 WeakPolarHBondContact O-CB 3.48Å; I465-N469 PolarHBondContact O-N 3.06Å; N469-K479 WeakPolarHBondContact OD1-CA 3.25Å; N469-V480 HydrophobicContact CB-CB 4.05Å; N469-V480 PolarHBondContact OD1-N 2.84Å; N469-V480 PolarHBondContact OD1-O 3.18Å |
| 470 | G | 92.1 | Very high | 93.2 | Very high | 29 Ų | 29 | 63.3 Ų | 63.3 | 30% | 0.299 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.3 | -4.9 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | M468 Q472 R477 L478 | M468-G470 PolarHBondContact O-N 3.19Å; G470-Q472 PolarHBondContact O-N 3.38Å; G470-R477 WeakPolarHBondContact O-CD 3.44Å; G470-R477 WeakPolarHBondContact O-CG 3.13Å; G470-R477 PolarHBondContact O-NH1 2.75Å; G470-L478 WeakPolarHBondContact CA-O 3.22Å; G470-L478 PolarHBondContact N-O 3Å |
| 471 | F | 93.5 | Very high | 93.1 | Very high | 96 Ų | 96 | 66.7 Ų | 66.7 | 42% | 0.421 | 35% | 0.349 | S | S | . | . | trans | -57.9 | 131.9 | 176.1 | -178 | -92.1 | 0 | 0 | 0 | 110.8 | M468 I473 R477 L478 | M468-F471 HydrophobicContact CE-CB 4.32Å; M468-F471 HydrophobicContact CE-CD1 3.95Å; M468-F471 HydrophobicContact CE-CD2 4.47Å; M468-F471 HydrophobicContact CE-CE1 4.4Å; M468-F471 HydrophobicContact CE-CG 3.99Å; M468-F471 VanDerWaalsContact O-CB 3.28Å; M468-F471 WeakPolarHBondContact O-CB 3.27Å; M468-F471 PolarHBondContact O-N 3.44Å; M468-F471 HydrophobicContact SD-CD2 4.44Å; M468-F471 HydrophobicContact SD-CG 4.4Å; F471-I473 HydrophobicContact CE1-CB 4.47Å; F471-R477 CarbonylContact O-C 3.51Å; F471-R477 VanDerWaalsContact O-CA 3.3Å; F471-R477 WeakPolarHBondContact O-CA 3.49Å; F471-L478 HydrophobicContact CB-CD1 4.41Å; F471-L478 HydrophobicContact CD1-CD1 4.02Å; F471-L478 PolarHBondContact O-N 3.5Å | ||
| 472 | Q | 91.8 | Very high | 93 | Very high | 108 Ų | 108 | 70.2 Ų | 70.2 | 51% | 0.505 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 127.2 | -175 | -174.5 | 170.2 | -17.9 | 0 | 0 | 111 | G470 G474 K476 R477 | G470-Q472 PolarHBondContact O-N 3.38Å; Q472-G474 PolarHBondContact NE2-O 3.18Å; Q472-K476 WeakPolarHBondContact CA-O 3.4Å; Q472-R477 HydrophobicContact CB-CG 4.33Å |
| 473 | I | 85.3 | Confident | 92.7 | Very high | 35 Ų | 35 | 69.8 Ų | 69.8 | 18% | 0.179 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 115 | 176.8 | -164.1 | 162.7 | 0 | 0 | 0 | 109 | P415 F418 M426 F471 M475 K476 L478 | P415-I473 HydrophobicContact CG-CD1 3.52Å; P415-I473 HydrophobicContact CG-CG1 3.73Å; P415-I473 HydrophobicContact CG-CG2 4.04Å; F418-I473 HydrophobicContact CE1-CD1 4.25Å; F418-I473 HydrophobicContact CE2-CD1 4.01Å; F418-I473 HydrophobicContact CZ-CD1 3.65Å; M426-I473 HydrophobicContact SD-CD1 4.45Å; F471-I473 HydrophobicContact CE1-CB 4.47Å; I473-M475 PolarHBondContact O-N 2.93Å; I473-K476 PolarHBondContact N-O 3.5Å; I473-K476 PolarHBondContact O-N 2.88Å; I473-K476 VanDerWaalsContact O-N 3.08Å; I473-K476 VanDerWaalsContact O-O 3.13Å; I473-L478 HydrophobicContact CG2-CD2 3.82Å; I473-L478 HydrophobicContact CG2-CG 3.94Å |
| 474 | G | 84.3 | Confident | 92 | Very high | 66 Ų | 66 | 77.1 Ų | 77.1 | 68% | 0.68 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.2 | -125.8 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q472 | Q472-G474 PolarHBondContact NE2-O 3.18Š|
| 475 | M | 85.6 | Confident | 90.8 | Very high | 195 Ų | 195 | 80.5 Ų | 80.5 | 96% | 0.961 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.3 | 1.7 | 179.3 | -64.2 | -176.9 | -76.9 | 0 | 0 | 114.4 | I473 | I473-M475 PolarHBondContact O-N 2.93Š|
| 476 | K | 89.5 | Confident | 89.3 | Confident | 113 Ų | 113 | 88.6 Ų | 88.6 | 49% | 0.491 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 162.8 | -175.8 | -68.1 | 178.2 | -176.6 | 168.8 | 0 | 111.5 | H413 Q472 I473 | H413-K476 HydrophobicContact CB-CB 4.22Å; H413-K476 HydrophobicContact CB-CD 4.3Å; Q472-K476 WeakPolarHBondContact CA-O 3.4Å; I473-K476 PolarHBondContact N-O 3.5Å; I473-K476 PolarHBondContact O-N 2.88Å; I473-K476 VanDerWaalsContact O-N 3.08Å; I473-K476 VanDerWaalsContact O-O 3.13Å |
| 477 | R | 92.7 | Very high | 87.4 | Confident | 142 Ų | 142 | 88.2 Ų | 88.2 | 54% | 0.536 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 128.4 | 168.2 | -69.3 | -176.1 | -178.4 | -74.3 | -11.7 | 109.7 | H413 G470 F471 Q472 | H413-R477 WeakPolarHBondContact CB-O 3.47Å; H413-R477 PolarHBondContact ND1-O 2.84Å; G470-R477 WeakPolarHBondContact O-CD 3.44Å; G470-R477 WeakPolarHBondContact O-CG 3.13Å; G470-R477 PolarHBondContact O-NH1 2.75Å; F471-R477 CarbonylContact O-C 3.51Å; F471-R477 VanDerWaalsContact O-CA 3.3Å; F471-R477 WeakPolarHBondContact O-CA 3.49Å; Q472-R477 HydrophobicContact CB-CG 4.33Å |
| 478 | L | 96.1 | Very high | 85.3 | Confident | 2 Ų | 2 | 88.9 Ų | 88.9 | 1% | 0.01 | 45% | 0.448 | C | S | . | . | trans | -58.5 | 140.7 | 172.5 | -65.2 | -178.3 | 0 | 0 | 0 | 109.8 | I411 L414 M426 M468 G470 F471 I473 V480 | I411-L478 HydrophobicContact CG2-CD2 4.33Å; L414-L478 HydrophobicContact CD2-CD2 3.91Å; M426-L478 HydrophobicContact CE-CD1 3.62Å; M426-L478 HydrophobicContact SD-CD1 4.02Å; M468-L478 HydrophobicContact CE-CD1 3.88Å; G470-L478 WeakPolarHBondContact CA-O 3.22Å; G470-L478 PolarHBondContact N-O 3Å; F471-L478 HydrophobicContact CB-CD1 4.41Å; F471-L478 HydrophobicContact CD1-CD1 4.02Å; F471-L478 PolarHBondContact O-N 3.5Å; I473-L478 HydrophobicContact CG2-CD2 3.82Å; I473-L478 HydrophobicContact CG2-CG 3.94Å; L478-V480 HydrophobicContact CB-CG2 4.36Å | ||
| 479 | K | 95.8 | Very high | 83 | Confident | 82 Ų | 82 | 94.3 Ų | 94.3 | 36% | 0.357 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 113 | 170.8 | 174.9 | -177.3 | 175.3 | -176.3 | 0 | 107.7 | I411 Y412 N469 Q481 | I411-K479 WeakPolarHBondContact CA-O 3.3Å; Y412-K479 HydrophobicContact CD2-CB 4.32Å; Y412-K479 HydrophobicContact CD2-CD 4.03Å; Y412-K479 HydrophobicContact CD2-CG 4.14Å; Y412-K479 HydrophobicContact CE2-CD 4.41Å; Y412-K479 PolarHBondContact N-O 3.04Å; Y412-K479 PolarHBondContact O-N 2.97Å; Y412-K479 VanDerWaalsContact O-N 3.07Å; N469-K479 WeakPolarHBondContact OD1-CA 3.25Å; K479-Q481 VanDerWaalsContact CE-CD 3.43Å; K479-Q481 VanDerWaalsContact CE-OE1 3.25Å; K479-Q481 HydrophobicContact CG-CG 4.26Å |
| 480 | V | 96.3 | Very high | 80.3 | Confident | 1 Ų | 1 | 101.3 Ų | 101.3 | 1% | 0.006 | 50% | 0.498 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 120.6 | -172.8 | -176.3 | 0 | 0 | 0 | 0 | 108.2 | L409 I411 F427 I465 M468 N469 L478 | L409-V480 HydrophobicContact CD1-CG1 3.81Å; I411-V480 HydrophobicContact CG1-CG1 4.35Å; I411-V480 HydrophobicContact CG1-CG2 4.26Å; I411-V480 HydrophobicContact CG2-CG2 4.12Å; F427-V480 HydrophobicContact CE1-CG1 4.11Å; F427-V480 HydrophobicContact CZ-CG1 4.21Å; F427-V480 HydrophobicContact CZ-CG2 4Å; I465-V480 HydrophobicContact CG1-CG1 3.99Å; M468-V480 HydrophobicContact CB-CG2 3.87Å; N469-V480 HydrophobicContact CB-CB 4.05Å; N469-V480 PolarHBondContact OD1-N 2.84Å; N469-V480 PolarHBondContact OD1-O 3.18Å; L478-V480 HydrophobicContact CB-CG2 4.36Å |
| 481 | Q | 94.8 | Very high | 78.3 | Confident | 86 Ų | 86 | 105.4 Ų | 105.4 | 40% | 0.402 | 52% | 0.519 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 159.1 | -176 | -59.1 | -167.4 | -48.7 | 0 | 0 | 110.3 | L409 F410 K479 K483 | L409-Q481 CarbonylContact C-O 3.51Å; L409-Q481 WeakPolarHBondContact CA-O 3.44Å; F410-Q481 PolarHBondContact N-O 2.76Å; F410-Q481 PolarHBondContact O-N 3.27Å; K479-Q481 VanDerWaalsContact CE-CD 3.43Å; K479-Q481 VanDerWaalsContact CE-OE1 3.25Å; K479-Q481 HydrophobicContact CG-CG 4.26Å; Q481-K483 PolarHBondContact O-N 2.81Å |
| 482 | L | 93.3 | Very high | 75.8 | Confident | 73 Ų | 73 | 114.7 Ų | 114.7 | 38% | 0.382 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.6 | 134.8 | 167.4 | -69.8 | 179.3 | 0 | 0 | 0 | 110.1 | G406 L409 I465 R484 | G406-L482 WeakPolarHBondContact O-CD2 3.3Å; L409-L482 HydrophobicContact CD2-CD2 4Å; I465-L482 HydrophobicContact CD1-CD2 3.82Å; I465-L482 HydrophobicContact CD1-CG 3.86Å; L482-R484 PolarHBondContact O-N 3.48Å |
| 483 | K | 88.8 | Confident | 75 | Confident | 68 Ų | 68 | 115.1 Ų | 115.1 | 30% | 0.296 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -61.3 | 125.7 | 166.8 | 179.8 | -176.9 | -178.4 | -174.8 | 0 | 108.3 | E402 N408 F452 Q481 | E402-K483 IonicContact OE1-NZ 3.19Å; E402-K483 PolarHBondContact OE1-NZ 3.24Å; E402-K483 IonicContact OE2-NZ 2.69Å; E402-K483 PolarHBondContact OE2-NZ 3.1Å; N408-K483 HydrophobicContact CB-CB 3.93Å; N408-K483 HydrophobicContact CB-CD 4.18Å; N408-K483 WeakPolarHBondContact O-CB 3.04Å; N408-K483 PolarHBondContact O-N 2.95Å; F452-K483 HydrophobicContact CD1-CB 4.46Å; F452-K483 HydrophobicContact CD1-CD 3.9Å; F452-K483 HydrophobicContact CD1-CG 4.21Å; F452-K483 HydrophobicContact CE1-CB 4.5Å; F452-K483 HydrophobicContact CE1-CD 3.84Å; F452-K483 HydrophobicContact CE1-CG 3.91Å; Q481-K483 PolarHBondContact O-N 2.81Å |
| 484 | R | 82 | Confident | 74.5 | Confident | 195 Ų | 195 | 119.3 Ų | 119.3 | 74% | 0.736 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.5 | 174.3 | -63.8 | -177.2 | -178.9 | -176.1 | -1.4 | 109.8 | L482 | L482-R484 PolarHBondContact O-N 3.48Š|
| 485 | P | 70.3 | Confident | 73.9 | Confident | 71 Ų | 71 | 122.2 Ų | 122.2 | 46% | 0.461 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -60.8 | 147.4 | 173.1 | 26.4 | -33 | 0 | 0 | 0 | 109.7 | D487 A488 | P485-D487 PolarHBondContact O-N 2.87Å; P485-A488 HydrophobicContact CG-CB 4.02Å; P485-A488 WeakPolarHBondContact O-CB 3.43Å; P485-A488 PolarHBondContact O-N 3.49Å; P485-A488 VanDerWaalsContact O-N 3.1Å |
| 486 | K | 63.8 | Low | 73.2 | Confident | 197 Ų | 197 | 117.9 Ų | 117.9 | 86% | 0.857 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -65.3 | -27 | -166.6 | -162 | 173.1 | -179 | -179.3 | 0 | 112.8 | A488 | K486-A488 VanDerWaalsContact C-N 3.33Š|
| 487 | D | 55.9 | Low | 72.2 | Confident | 151 Ų | 151 | 118.3 Ų | 118.3 | 81% | 0.807 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -78.6 | -14 | -179.1 | -48.3 | -85.7 | 0 | 0 | 0 | 113.1 | P485 N489 | P485-D487 PolarHBondContact O-N 2.87Å; D487-N489 PolarHBondContact O-N 2.83Å |
| 488 | A | 50.3 | Low | 70.9 | Confident | 65 Ų | 65 | 116.7 Ų | 116.7 | 54% | 0.537 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -82.4 | 18.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | P485 K486 | P485-A488 HydrophobicContact CG-CB 4.02Å; P485-A488 WeakPolarHBondContact O-CB 3.43Å; P485-A488 PolarHBondContact O-N 3.49Å; P485-A488 VanDerWaalsContact O-N 3.1Å; K486-A488 VanDerWaalsContact C-N 3.33Å |
| 489 | N | 45.8 | Very low | 69 | Low | 126 Ų | 126 | 124.9 Ų | 124.9 | 67% | 0.674 | 59% | 0.59 | S | S | * | * | trans | -127.8 | 53.9 | -171.5 | -160.8 | 61.5 | 0 | 0 | 0 | 114.3 | D487 | D487-N489 PolarHBondContact O-N 2.83Š| ||
| 490 | R | 38.8 | Very low | 67 | Low | 227 Ų | 227 | 128.2 Ų | 128.2 | 86% | 0.857 | 61% | 0.608 | S | S | * | * | trans | -163.1 | 90.4 | 152.5 | -107.1 | 178 | -155.7 | -159.8 | 3.7 | 112.1 | ||||
| 491 | P | 49.2 | Very low | 64.5 | Low | 114 Ų | 114 | 138.8 Ų | 138.8 | 74% | 0.74 | 66% | 0.658 | S | S | * | * | trans | -84.4 | 110.6 | 153 | 31.6 | -25.4 | 0 | 0 | 0 | 108.9 | ||||
| 492 | Y | 41.7 | Very low | 61.8 | Low | 292 Ų | 292 | 143.5 Ų | 143.5 | 100% | 1.145 | 68% | 0.681 | S | S | * | * | trans | 52.5 | 0 | 179.1 | -69.3 | -86.6 | 0 | 0 | 0 | 115.4 |
Retrieved 492 of 492 residues in 1062.7 ms
(Link to these results)