| 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 | 40.5 | Very low | 40.7 | Very low | 247 Ų | 247 | 138.8 Ų | 138.8 | 100% | 1.217 | 80% | 0.803 | S | S | * | * | 0 | 133.4 | 0 | -61.5 | 167.9 | 174.5 | 0 | 0 | 107.3 | |||||
| 2 | A | 37.2 | Very low | 40.3 | Very low | 99 Ų | 99 | 138.8 Ų | 138.8 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -156.9 | 142.8 | -25.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 3 | S | 40.3 | Very low | 40.2 | Very low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 80% | 0.802 | S | S | * | * | trans | -85.3 | -168.6 | 167.1 | -35.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | P | 55.6 | Low | 39.9 | Very low | 106 Ų | 106 | 136.4 Ų | 136.4 | 69% | 0.688 | 81% | 0.809 | S | S | * | * | cis | -112 | -125.5 | -8.3 | 14.1 | 13.9 | 0 | 0 | 0 | 111 | ||||
| 5 | D | 43.2 | Very low | 39.6 | Very low | 134 Ų | 134 | 139.4 Ų | 139.4 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | cis | -161.7 | 162.8 | 7.2 | -101.6 | -40.9 | 0 | 0 | 0 | 107.3 | ||||
| 6 | V | 44.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 141.3 Ų | 141.3 | 71% | 0.709 | 82% | 0.815 | S | S | * | * | cis | -171.2 | 150 | -32.2 | 119.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 7 | G | 39.8 | Very low | 39 | Very low | 72 Ų | 72 | 139.4 Ų | 139.4 | 74% | 0.742 | 81% | 0.812 | S | S | * | * | trans | -179.3 | 73.8 | -177.9 | 0 | 0 | 0 | 0 | 0 | 117.3 | A9 | G7-A9 PolarHBondContact O-N 3.5Š| ||
| 8 | M | 38.8 | Very low | 39.2 | Very low | 150 Ų | 150 | 137.3 Ų | 137.3 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -25.9 | 124.6 | 171.7 | -46.2 | -55.1 | -176.4 | 0 | 0 | 114.6 | ||||
| 9 | A | 33.3 | Very low | 39.1 | Very low | 86 Ų | 86 | 139.4 Ų | 139.4 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | cis | 62.5 | 101.2 | 41.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | G7 | G7-A9 PolarHBondContact O-N 3.5Š| ||
| 10 | Y | 37.1 | Very low | 39.1 | Very low | 225 Ų | 225 | 138.2 Ų | 138.2 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -144 | 126.4 | 156.9 | -88.9 | -73.4 | 0 | 0 | 0 | 110.7 | ||||
| 11 | H | 38.2 | Very low | 38.9 | Very low | 180 Ų | 180 | 135.1 Ų | 135.1 | 83% | 0.833 | 80% | 0.803 | S | S | * | * | trans | -90.7 | 151.4 | 166.3 | -62.6 | -61.9 | 0 | 0 | 0 | 110.2 | ||||
| 12 | T | 36 | Very low | 38.7 | Very low | 139 Ų | 139 | 130 Ų | 130 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | -179.1 | 153.7 | 109.9 | 25.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 13 | P | 37.8 | Very low | 38.5 | Very low | 115 Ų | 115 | 134.1 Ų | 134.1 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -99.8 | 164.3 | -180 | 38.3 | -33.8 | 0 | 0 | 0 | 113.1 | ||||
| 14 | S | 37.1 | Very low | 38.5 | Very low | 128 Ų | 128 | 133.9 Ų | 133.9 | 90% | 0.895 | 78% | 0.779 | S | S | * | * | trans | -154.3 | 140.1 | 156.4 | -86.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 15 | Q | 34.7 | Very low | 37.5 | Very low | 182 Ų | 182 | 135.5 Ų | 135.5 | 85% | 0.85 | 79% | 0.787 | S | S | * | * | trans | -74.4 | 155.1 | 173.4 | -57.3 | 167.7 | -3.5 | 0 | 0 | 110.1 | ||||
| 16 | I | 35.9 | Very low | 37 | Very low | 169 Ų | 169 | 133 Ų | 133 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -170.8 | 141.2 | 138.8 | -99.6 | 150.6 | 0 | 0 | 0 | 109.7 | ||||
| 17 | S | 32.8 | Very low | 36.5 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | trans | -134.8 | -177.7 | 170.8 | -48.4 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 18 | P | 43.7 | Very low | 36.2 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | cis | -138.9 | -157.1 | 2 | 36.2 | -12.3 | 0 | 0 | 0 | 113.5 | ||||
| 19 | Q | 36.8 | Very low | 35.9 | Very low | 178 Ų | 178 | 137 Ų | 137 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | 72.6 | 147 | 161.1 | -67.2 | 168.8 | 13.2 | 0 | 0 | 117.5 | ||||
| 20 | S | 40 | Very low | 35.9 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | -172.1 | 150.7 | -16.1 | 51.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 21 | G | 33.9 | Very low | 35.6 | Very low | 73 Ų | 73 | 134.9 Ų | 134.9 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | trans | 154 | 106.3 | 162.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 22 | N | 37.4 | Very low | 35.5 | Very low | 141 Ų | 141 | 131.6 Ų | 131.6 | 75% | 0.754 | 76% | 0.763 | S | S | * | * | trans | -90.4 | 152.6 | 178.5 | -58.2 | -6.3 | 0 | 0 | 0 | 112 | ||||
| 23 | M | 33 | Very low | 35.4 | Very low | 184 Ų | 184 | 129.8 Ų | 129.8 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | -136.8 | 149.7 | 110.2 | -75.8 | -154.1 | 177.2 | 0 | 0 | 109.1 | |||||
| 24 | T | 38.4 | Very low | 35.1 | Very low | 107 Ų | 107 | 134.8 Ų | 134.8 | 66% | 0.656 | 76% | 0.76 | S | S | * | * | trans | -156.1 | 128.9 | -169 | -45.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 25 | T | 35.4 | Very low | 34.9 | Very low | 139 Ų | 139 | 133 Ų | 133 | 85% | 0.853 | 75% | 0.754 | S | S | * | * | trans | -110.8 | 134.3 | 155.1 | 37.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 26 | S | 31.9 | Very low | 34.8 | Very low | 83 Ų | 83 | 130.8 Ų | 130.8 | 58% | 0.58 | 74% | 0.743 | S | S | * | * | trans | -146 | 86.4 | -161.6 | 159.3 | 0 | 0 | 0 | 0 | 111.7 | K28 | S26-K28 PolarHBondContact O-N 3.27Š| ||
| 27 | T | 34 | Very low | 34.7 | Very low | 121 Ų | 121 | 128.4 Ų | 128.4 | 74% | 0.742 | 74% | 0.737 | S | S | * | * | trans | -75.9 | 111.3 | 165.1 | -49.9 | 0 | 0 | 0 | 0 | 108.7 | I526 | T27-I526 HydrophobicContact CG2-CD1 3.7Š| ||
| 28 | K | 34.3 | Very low | 34.6 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 77% | 0.765 | 74% | 0.735 | S | S | * | * | trans | -77.4 | 137.3 | -175.3 | -77.3 | -178.8 | 176.8 | 174.6 | 0 | 112.2 | S26 L30 | S26-K28 PolarHBondContact O-N 3.27Å; K28-L30 PolarHBondContact O-N 2.82Å | ||
| 29 | V | 32.2 | Very low | 34 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | -62.2 | 129.9 | 163.4 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 30 | L | 32.8 | Very low | 33.8 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 61% | 0.613 | 74% | 0.737 | S | S | * | * | trans | -107.4 | 115.9 | 161 | -95.6 | 167.3 | 0 | 0 | 0 | 109.2 | K28 A530 | K28-L30 PolarHBondContact O-N 2.82Å; L30-A530 HydrophobicContact CD1-CB 3.63Å | ||
| 31 | N | 32.1 | Very low | 33.5 | Very low | 151 Ų | 151 | 131.6 Ų | 131.6 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | trans | -81.6 | 119.1 | 170.6 | -102.5 | -62.4 | 0 | 0 | 0 | 108.9 | ||||
| 32 | L | 34.7 | Very low | 33.7 | Very low | 110 Ų | 110 | 133.6 Ų | 133.6 | 58% | 0.576 | 74% | 0.741 | S | S | * | * | trans | -120.6 | 105.4 | 166.5 | -87.1 | 167.3 | 0 | 0 | 0 | 111 | ||||
| 33 | S | 35 | Very low | 33.4 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | trans | 31.6 | 107.7 | 154.3 | 52.5 | 0 | 0 | 0 | 0 | 119.3 | A35 | S33-A35 PolarHBondContact O-N 3.04Š| ||
| 34 | R | 31.7 | Very low | 33.5 | Very low | 219 Ų | 219 | 133.3 Ų | 133.3 | 83% | 0.826 | 74% | 0.74 | S | S | * | * | trans | -49.2 | 123.4 | 145.2 | -85.5 | 177.1 | 165.9 | 160.6 | -3.6 | 110.4 | ||||
| 35 | A | 32.2 | Very low | 33.3 | Very low | 92 Ų | 92 | 131 Ų | 131 | 76% | 0.76 | 74% | 0.738 | S | S | * | * | trans | -98.6 | 91.7 | 153.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | S33 V37 | S33-A35 PolarHBondContact O-N 3.04Å; A35-V37 PolarHBondContact O-N 3.5Å; A35-V37 VanDerWaalsContact O-N 3.14Å | ||
| 36 | Q | 33.3 | Very low | 33.1 | Very low | 134 Ų | 134 | 129.3 Ų | 129.3 | 63% | 0.626 | 74% | 0.737 | S | S | * | * | trans | -78.4 | 93.2 | 171.2 | -77.8 | -175.1 | -107.8 | 0 | 0 | 109.6 | N38 | Q36-N38 PolarHBondContact O-N 3.05Š| ||
| 37 | V | 32.5 | Very low | 33.2 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -72.7 | 96.2 | 165.1 | -178.9 | 0 | 0 | 0 | 0 | 108.1 | A35 L39 | A35-V37 PolarHBondContact O-N 3.5Å; A35-V37 VanDerWaalsContact O-N 3.14Å; V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 HydrophobicContact CG1-CD1 4.48Å; V37-L39 HydrophobicContact CG1-CG 4.3Å; V37-L39 PolarHBondContact O-N 2.9Å | ||
| 38 | N | 30.3 | Very low | 33.3 | Very low | 137 Ų | 137 | 135.5 Ų | 135.5 | 73% | 0.733 | 75% | 0.75 | S | S | * | * | trans | -69.4 | 89.3 | 169.5 | -83 | -20.9 | 0 | 0 | 0 | 109.6 | Q36 A40 | Q36-N38 PolarHBondContact O-N 3.05Å; N38-A40 PolarHBondContact O-N 3.49Å | ||
| 39 | L | 31.9 | Very low | 33.4 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 85% | 0.848 | 75% | 0.752 | S | S | * | * | trans | -75.3 | 72 | 161.7 | -91.7 | 159.1 | 0 | 0 | 0 | 109.5 | V37 | V37-L39 VanDerWaalsContact C-N 3.33Å; V37-L39 HydrophobicContact CG1-CD1 4.48Å; V37-L39 HydrophobicContact CG1-CG 4.3Å; V37-L39 PolarHBondContact O-N 2.9Å | ||
| 40 | A | 33.1 | Very low | 33.4 | Very low | 83 Ų | 83 | 132.3 Ų | 132.3 | 69% | 0.686 | 75% | 0.75 | S | S | * | * | trans | -69.4 | 131.6 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | N38 P42 | N38-A40 PolarHBondContact O-N 3.49Å; A40-P42 WeakPolarHBondContact O-CD 3.41Å | ||
| 41 | Q | 33.7 | Very low | 33.6 | Very low | 188 Ų | 188 | 134 Ų | 134 | 88% | 0.879 | 76% | 0.764 | S | S | * | * | trans | -67.6 | 126.9 | 176.3 | -67.3 | 175.3 | -24.7 | 0 | 0 | 111.1 | A43 | Q41-A43 PolarHBondContact O-N 2.83Š| ||
| 42 | P | 38.2 | Very low | 33.6 | Very low | 115 Ų | 115 | 132 Ų | 132 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -89.1 | 97.7 | 166.4 | 33 | -28.9 | 0 | 0 | 0 | 110.2 | A40 Y44 | A40-P42 WeakPolarHBondContact O-CD 3.41Å; P42-Y44 VanDerWaalsContact C-N 3.32Å; P42-Y44 PolarHBondContact O-N 2.85Å | ||
| 43 | A | 29.8 | Very low | 33.8 | Very low | 90 Ų | 90 | 132.8 Ų | 132.8 | 74% | 0.744 | 77% | 0.774 | S | S | * | * | trans | -80.9 | 69.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Q41 | Q41-A43 PolarHBondContact O-N 2.83Š| ||
| 44 | Y | 35.5 | Very low | 33.9 | Very low | 229 Ų | 229 | 137.4 Ų | 137.4 | 90% | 0.898 | 78% | 0.784 | S | S | * | * | trans | -147.1 | 149.3 | 170.1 | -65.6 | -79.5 | 0 | 0 | 0 | 109.2 | P42 | P42-Y44 VanDerWaalsContact C-N 3.32Å; P42-Y44 PolarHBondContact O-N 2.85Å | ||
| 45 | G | 34.1 | Very low | 34.1 | Very low | 60 Ų | 60 | 135.5 Ų | 135.5 | 62% | 0.619 | 79% | 0.785 | S | S | * | * | cis | 179.5 | 151.2 | -2.8 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 46 | A | 31.3 | Very low | 34.3 | Very low | 102 Ų | 102 | 136.6 Ų | 136.6 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -75.2 | 136.7 | -169.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 47 | Y | 35.2 | Very low | 34.4 | Very low | 229 Ų | 229 | 136 Ų | 136 | 90% | 0.898 | 79% | 0.793 | S | S | * | * | trans | -137.5 | 120.7 | 169.9 | -79.3 | -79.7 | 0 | 0 | 0 | 111.2 | ||||
| 48 | P | 34.5 | Very low | 34.9 | Very low | 105 Ų | 105 | 135.3 Ų | 135.3 | 68% | 0.682 | 79% | 0.79 | S | S | * | * | trans | -109.1 | 149.1 | 175.6 | 37 | -29.8 | 0 | 0 | 0 | 113.6 | ||||
| 49 | T | 36.6 | Very low | 35.1 | Very low | 133 Ų | 133 | 134.7 Ų | 134.7 | 82% | 0.816 | 79% | 0.792 | S | S | * | * | trans | 61.6 | 158.9 | 153.1 | 51.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 50 | S | 33.1 | Very low | 35.3 | Very low | 100 Ų | 100 | 134.7 Ų | 134.7 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | cis | -177.6 | 135.9 | -35.7 | 55.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 51 | V | 36.6 | Very low | 35.2 | Very low | 152 Ų | 152 | 134.8 Ų | 134.8 | 92% | 0.921 | 79% | 0.794 | S | S | * | * | trans | -139.3 | 133.2 | 167.2 | -172.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 52 | S | 32.4 | Very low | 35.3 | Very low | 109 Ų | 109 | 137.1 Ų | 137.1 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | trans | -52.4 | 150.4 | -170.5 | -43.3 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 53 | P | 39.3 | Very low | 34.9 | Very low | 127 Ų | 127 | 138.7 Ų | 138.7 | 83% | 0.825 | 80% | 0.798 | S | S | * | * | trans | -91.9 | 173.6 | 157 | 38.2 | -33.5 | 0 | 0 | 0 | 112.8 | ||||
| 54 | Q | 37 | Very low | 35.1 | Very low | 199 Ų | 199 | 145.1 Ų | 145.1 | 93% | 0.93 | 81% | 0.805 | S | S | * | * | trans | -124.1 | 170.6 | 169.8 | -111.8 | -176.1 | -2.8 | 0 | 0 | 112.8 | ||||
| 55 | Q | 35 | Very low | 34.9 | Very low | 180 Ų | 180 | 138.8 Ų | 138.8 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | trans | -114.2 | 152.8 | -152.3 | -55.1 | 165.8 | -24.6 | 0 | 0 | 114.9 | ||||
| 56 | S | 36.7 | Very low | 34.8 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -170.9 | 84 | 136.6 | 61.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 57 | T | 35.4 | Very low | 35.1 | Very low | 123 Ų | 123 | 145.7 Ų | 145.7 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | -7.1 | 169 | 137.8 | 57.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 58 | P | 43.7 | Very low | 34.9 | Very low | 104 Ų | 104 | 143.2 Ų | 143.2 | 68% | 0.675 | 79% | 0.794 | S | S | * | * | cis | -148.3 | -150.6 | -47.4 | 45.5 | -25.4 | 0 | 0 | 0 | 113.5 | ||||
| 59 | T | 34.1 | Very low | 34.9 | Very low | 124 Ų | 124 | 143.9 Ų | 143.9 | 76% | 0.761 | 80% | 0.801 | S | S | * | * | trans | 70.1 | 136.3 | 165.1 | 42.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 60 | N | 35.7 | Very low | 34.7 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | cis | -138.3 | 173.4 | 44.8 | -106.7 | -36.3 | 0 | 0 | 0 | 115 | ||||
| 61 | A | 32.2 | Very low | 34.8 | Very low | 85 Ų | 85 | 147.7 Ų | 147.7 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | trans | -136.9 | 156.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 62 | Y | 34.5 | Very low | 34.9 | Very low | 237 Ų | 237 | 146 Ų | 146 | 93% | 0.929 | 80% | 0.803 | S | S | * | * | trans | -138.6 | 146.4 | 160.1 | -91.5 | -76.7 | 0 | 0 | 0 | 110 | ||||
| 63 | N | 30.2 | Very low | 35 | Very low | 148 Ų | 148 | 145.6 Ų | 145.6 | 79% | 0.791 | 80% | 0.8 | S | S | * | * | trans | -152 | 145.2 | -169.8 | -167 | -1.2 | 0 | 0 | 0 | 108.9 | ||||
| 64 | Y | 33.9 | Very low | 34.6 | Very low | 224 Ų | 224 | 147.6 Ų | 147.6 | 88% | 0.878 | 80% | 0.796 | S | S | * | * | trans | -147.6 | 131.5 | 173.9 | -116.4 | -82.7 | 0 | 0 | 0 | 112.1 | ||||
| 65 | S | 32.1 | Very low | 34.4 | Very low | 97 Ų | 97 | 148.8 Ų | 148.8 | 68% | 0.678 | 79% | 0.793 | S | S | * | * | trans | -94.6 | 179.8 | 176.3 | 61.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 66 | N | 31.7 | Very low | 34.2 | Very low | 138 Ų | 138 | 144.2 Ų | 144.2 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | cis | -166.8 | 170.2 | 15.9 | -150.7 | -12.2 | 0 | 0 | 0 | 111.6 | ||||
| 67 | Q | 36.8 | Very low | 34.2 | Very low | 168 Ų | 168 | 149.7 Ų | 149.7 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | 118.6 | 96 | 153.9 | -65.7 | -178.7 | 91.6 | 0 | 0 | 120.1 | ||||
| 68 | Q | 31.8 | Very low | 34.3 | Very low | 177 Ų | 177 | 149.9 Ų | 149.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | 34.6 | 122.9 | 121.5 | -62.5 | -178.8 | -13.3 | 0 | 0 | 121.9 | |||||
| 69 | S | 34.8 | Very low | 33.8 | Very low | 119 Ų | 119 | 150.4 Ų | 150.4 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | -164.1 | 114 | 114.1 | 8.9 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 70 | Q | 32.3 | Very low | 33.9 | Very low | 204 Ų | 204 | 154 Ų | 154 | 95% | 0.953 | 81% | 0.809 | S | S | * | * | trans | 29.9 | 136.3 | 148.8 | -54.3 | -175.8 | 18.9 | 0 | 0 | 123.1 | ||||
| 71 | S | 33.8 | Very low | 33.7 | Very low | 110 Ų | 110 | 153 Ų | 153 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | -131.1 | 174.6 | 164.7 | 61.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 72 | P | 39.3 | Very low | 33.7 | Very low | 116 Ų | 116 | 152.7 Ų | 152.7 | 75% | 0.753 | 81% | 0.814 | S | S | * | * | trans | -142 | 131.2 | 135.1 | 35.1 | -20.7 | 0 | 0 | 0 | 115.4 | ||||
| 73 | S | 34.5 | Very low | 33.6 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 70% | 0.699 | 81% | 0.811 | S | S | * | * | 30.7 | 144.8 | 107 | -50.3 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 74 | F | 31.5 | Very low | 33.7 | Very low | 169 Ų | 169 | 153.3 Ų | 153.3 | 74% | 0.741 | 82% | 0.818 | S | S | * | * | cis | -168.3 | 168.2 | 6.6 | -138.3 | -124.5 | 0 | 0 | 0 | 109.3 | ||||
| 75 | Y | 33.4 | Very low | 33.7 | Very low | 224 Ų | 224 | 151.4 Ų | 151.4 | 88% | 0.878 | 82% | 0.817 | S | S | * | * | 169.6 | 154.7 | 119.1 | -98.2 | -68.9 | 0 | 0 | 0 | 112.8 | |||||
| 76 | A | 30.8 | Very low | 34 | Very low | 84 Ų | 84 | 152.5 Ų | 152.5 | 69% | 0.694 | 82% | 0.822 | S | S | * | * | trans | -143.2 | 168.6 | -179.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 77 | Y | 35.1 | Very low | 34.2 | Very low | 230 Ų | 230 | 153.6 Ų | 153.6 | 90% | 0.902 | 83% | 0.828 | S | S | * | * | trans | -57.7 | 164.7 | -179.9 | -67 | -91.6 | 0 | 0 | 0 | 114.5 | ||||
| 78 | P | 38.6 | Very low | 33.9 | Very low | 127 Ų | 127 | 149.7 Ų | 149.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | -137.9 | 165.1 | 110.4 | 39.2 | -30 | 0 | 0 | 0 | 114.7 | |||||
| 79 | S | 31.8 | Very low | 33.9 | Very low | 115 Ų | 115 | 147.7 Ų | 147.7 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | trans | -109.1 | 149.8 | 173 | 51.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 80 | Q | 36.7 | Very low | 33.9 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | trans | -144.8 | 158.5 | 161.8 | -75.3 | -160 | 2.1 | 0 | 0 | 110.7 | ||||
| 81 | T | 31.6 | Very low | 34 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 87% | 0.871 | 80% | 0.803 | S | S | * | * | trans | -109.3 | 145.9 | -169.4 | 50.9 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 82 | G | 32.1 | Very low | 34.1 | Very low | 79 Ų | 79 | 151.8 Ų | 151.8 | 81% | 0.814 | 81% | 0.807 | S | S | * | * | trans | -147.5 | 134.9 | 165.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 83 | F | 31.9 | Very low | 34 | Very low | 200 Ų | 200 | 152.4 Ų | 152.4 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | -95.7 | 146.5 | 173.4 | -83.5 | -107.7 | 0 | 0 | 0 | 109.7 | ||||
| 84 | E | 33.9 | Very low | 33.8 | Very low | 198 Ų | 198 | 150.5 Ų | 150.5 | 93% | 0.925 | 81% | 0.807 | S | S | * | * | trans | -158.8 | 169.7 | 131.3 | -117.3 | 166.5 | 178.1 | 0 | 0 | 111.8 | ||||
| 85 | Q | 34.1 | Very low | 34 | Very low | 184 Ų | 184 | 151.7 Ų | 151.7 | 86% | 0.86 | 81% | 0.812 | S | S | * | * | trans | -100 | 162.4 | -163.5 | -91.7 | -174.3 | -11.9 | 0 | 0 | 114.2 | ||||
| 86 | P | 38.1 | Very low | 34 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -85 | 154.8 | -174.8 | 35.2 | -36 | 0 | 0 | 0 | 112.6 | ||||
| 87 | D | 35.6 | Very low | 34.1 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 87% | 0.866 | 81% | 0.812 | S | S | * | * | trans | -138.6 | 167.5 | 162.9 | -143.5 | -26.9 | 0 | 0 | 0 | 111.6 | ||||
| 88 | S | 31 | Very low | 34 | Very low | 86 Ų | 86 | 151.4 Ų | 151.4 | 60% | 0.601 | 82% | 0.815 | S | S | * | * | trans | -128.9 | 152.1 | -155.8 | 59.8 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 89 | N | 31.6 | Very low | 33.9 | Very low | 134 Ų | 134 | 149.9 Ų | 149.9 | 72% | 0.717 | 81% | 0.812 | S | S | * | * | trans | 116.1 | 160.5 | 152.7 | -61.1 | -68.4 | 0 | 0 | 0 | 119.2 | ||||
| 90 | F | 33.5 | Very low | 33.9 | Very low | 178 Ų | 178 | 152.7 Ų | 152.7 | 78% | 0.781 | 81% | 0.813 | S | S | * | * | trans | 86 | 96.3 | 159.9 | -73.8 | -72.5 | 0 | 0 | 0 | 122.3 | ||||
| 91 | N | 35.3 | Very low | 34 | Very low | 147 Ų | 147 | 149.5 Ų | 149.5 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | 79.6 | 119.1 | 131.3 | -76.6 | -2.2 | 0 | 0 | 0 | 123.7 | ||||
| 92 | K | 34.9 | Very low | 34 | Very low | 195 Ų | 195 | 150.5 Ų | 150.5 | 85% | 0.848 | 80% | 0.804 | S | S | * | * | trans | -55.5 | 157.2 | 149 | -80.6 | 178.2 | 178 | 177.5 | 0 | 111.6 | ||||
| 93 | P | 37.5 | Very low | 34 | Very low | 128 Ų | 128 | 153 Ų | 153 | 83% | 0.831 | 80% | 0.803 | S | S | * | * | cis | -125.4 | 173.5 | 45.4 | 39.9 | -26.6 | 0 | 0 | 0 | 114.9 | ||||
| 94 | G | 30.7 | Very low | 33.9 | Very low | 60 Ų | 60 | 152.1 Ų | 152.1 | 62% | 0.619 | 80% | 0.8 | S | S | * | * | cis | 123.2 | 90.9 | -2.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 95 | F | 35.4 | Very low | 33.8 | Very low | 194 Ų | 194 | 148.9 Ų | 148.9 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -165 | 147.6 | 158.4 | -108 | -68.5 | 0 | 0 | 0 | 113.2 | ||||
| 96 | Q | 34.7 | Very low | 33.8 | Very low | 164 Ų | 164 | 147.8 Ų | 147.8 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | trans | 57.1 | 100.6 | 155.8 | -82.2 | 158.9 | 4 | 0 | 0 | 122.7 | ||||
| 97 | N | 31.9 | Very low | 33.5 | Very low | 149 Ų | 149 | 145 Ų | 145 | 80% | 0.797 | 79% | 0.786 | S | S | * | * | trans | 24.9 | 129.4 | 130.5 | -60.5 | -1.5 | 0 | 0 | 0 | 121.4 | ||||
| 98 | F | 34.2 | Very low | 33.4 | Very low | 220 Ų | 220 | 142.8 Ų | 142.8 | 97% | 0.965 | 78% | 0.783 | S | S | * | * | -148.3 | 152.9 | 119.8 | -105.5 | -73.7 | 0 | 0 | 0 | 112.4 | |||||
| 99 | A | 36.1 | Very low | 33.7 | Very low | 94 Ų | 94 | 146.9 Ų | 146.9 | 78% | 0.777 | 80% | 0.798 | S | S | * | * | trans | -23 | 139.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 100 | Q | 32.1 | Very low | 33.6 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 157.7 | 149.5 | -72.3 | 177.9 | -34.3 | 0 | 0 | 110.6 | ||
| 101 | P | 36.9 | Very low | 33.7 | Very low | 132 Ų | 132 | 145.7 Ų | 145.7 | 86% | 0.857 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 138.3 | 169.3 | 29.9 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 102 | Q | 32.9 | Very low | 33.7 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -95.7 | 137.1 | -179.2 | -79.1 | -89.9 | -59.4 | 0 | 0 | 112.1 | F104 | Q102-F104 HydrophobicContact CB-CE2 4.38Š|
| 103 | V | 31.5 | Very low | 33.6 | Very low | 132 Ų | 132 | 142.8 Ų | 142.8 | 80% | 0.8 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 118.9 | 164.7 | 177.3 | 0 | 0 | 0 | 0 | 108.4 | ||
| 104 | F | 29.4 | Very low | 33.3 | Very low | 181 Ų | 181 | 145.7 Ų | 145.7 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -85.8 | 116.1 | -179.8 | -90.4 | -91.4 | 0 | 0 | 0 | 112.4 | Q102 | Q102-F104 HydrophobicContact CB-CE2 4.38Š|
| 105 | T | 32.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 122.8 | 161.6 | -60.1 | 0 | 0 | 0 | 0 | 108.6 | ||
| 106 | I | 33.4 | Very low | 33.6 | Very low | 160 Ų | 160 | 147.6 Ų | 147.6 | 82% | 0.821 | 81% | 0.813 | S | S | * | * | trans | -96.3 | 115.8 | 176.1 | -61.6 | -180 | 0 | 0 | 0 | 109.1 | ||||
| 107 | G | 33.7 | Very low | 33.7 | Very low | 63 Ų | 63 | 146.5 Ų | 146.5 | 65% | 0.649 | 82% | 0.818 | S | S | * | * | trans | -90.6 | 161.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 108 | S | 33.5 | Very low | 33.8 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | -73.4 | 152.7 | 173 | 53 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 109 | N | 35.5 | Very low | 33.8 | Very low | 171 Ų | 171 | 148 Ų | 148 | 91% | 0.914 | 82% | 0.815 | S | S | * | * | trans | -134.3 | 148 | 168.4 | -96.5 | -42.3 | 0 | 0 | 0 | 110.6 | ||||
| 110 | Q | 31.1 | Very low | 33.7 | Very low | 194 Ų | 194 | 152.3 Ų | 152.3 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | trans | -115 | 140.9 | -175 | -60.5 | -179.8 | 8.4 | 0 | 0 | 112.5 | ||||
| 111 | A | 34.9 | Very low | 33.8 | Very low | 94 Ų | 94 | 150.8 Ų | 150.8 | 78% | 0.777 | 80% | 0.804 | S | S | * | * | trans | -168 | 147.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 112 | S | 34.8 | Very low | 33.7 | Very low | 109 Ų | 109 | 153.9 Ų | 153.9 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | cis | -160.5 | 141.6 | -20.3 | -97.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 113 | Q | 32.7 | Very low | 33.8 | Very low | 172 Ų | 172 | 152.7 Ų | 152.7 | 80% | 0.804 | 80% | 0.804 | S | S | * | * | trans | 12.1 | 131 | 160.8 | -52.6 | -179.5 | 17.2 | 0 | 0 | 122 | ||||
| 114 | M | 32.4 | Very low | 33.8 | Very low | 188 Ų | 188 | 154.9 Ų | 154.9 | 93% | 0.926 | 81% | 0.806 | S | S | * | * | -160.5 | 170.7 | 112.5 | -110.1 | -174 | -76.3 | 0 | 0 | 112.2 | |||||
| 115 | Q | 34.9 | Very low | 33.9 | Very low | 179 Ų | 179 | 154.7 Ų | 154.7 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -107.5 | 161.4 | -153 | -66.7 | -171.5 | 10.9 | 0 | 0 | 117.1 | ||||
| 116 | P | 36.7 | Very low | 34.1 | Very low | 115 Ų | 115 | 152.9 Ų | 152.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | trans | -101.2 | 179.7 | 179.4 | 40.5 | -36.5 | 0 | 0 | 0 | 114.7 | ||||
| 117 | T | 37.1 | Very low | 34.1 | Very low | 142 Ų | 142 | 153.6 Ų | 153.6 | 87% | 0.871 | 80% | 0.798 | S | S | * | * | trans | -148.6 | 150.8 | 167.9 | -60.1 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 118 | Q | 35 | Very low | 33.9 | Very low | 165 Ų | 165 | 159 Ų | 159 | 77% | 0.771 | 81% | 0.806 | S | S | * | * | trans | -107.3 | 170.4 | -173.9 | -59.6 | -164.1 | -3.4 | 0 | 0 | 113.8 | ||||
| 119 | Y | 32.8 | Very low | 34.1 | Very low | 235 Ų | 235 | 158 Ų | 158 | 92% | 0.922 | 80% | 0.797 | S | S | * | * | -160.5 | -178.2 | 125 | -113.8 | -76.2 | 0 | 0 | 0 | 112 | |||||
| 120 | R | 34.8 | Very low | 34 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 69% | 0.694 | 79% | 0.792 | S | S | * | * | trans | -146.4 | 136.1 | -139.9 | 179 | -176.4 | -178.1 | -174.8 | 6.6 | 115.9 | ||||
| 121 | Q | 34.8 | Very low | 34 | Very low | 143 Ų | 143 | 156.4 Ų | 156.4 | 67% | 0.668 | 78% | 0.784 | S | S | * | * | trans | 56 | 137.2 | 156.1 | -70.2 | 169.8 | -12.1 | 0 | 0 | 121.2 | ||||
| 122 | Q | 34.5 | Very low | 33.7 | Very low | 197 Ų | 197 | 163.4 Ų | 163.4 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | -159.9 | 141.2 | 115 | -109.4 | 169.8 | 53.4 | 0 | 0 | 115.9 | |||||
| 123 | I | 34.2 | Very low | 33.5 | Very low | 136 Ų | 136 | 168.5 Ų | 168.5 | 70% | 0.697 | 80% | 0.795 | S | S | * | * | trans | -60 | 139.5 | -173.7 | -54 | 158.7 | 0 | 0 | 0 | 114.6 | ||||
| 124 | Q | 32.1 | Very low | 33.6 | Very low | 179 Ų | 179 | 166.8 Ų | 166.8 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | 179.3 | 151.3 | 117.2 | -116.5 | 121.8 | 126.8 | 0 | 0 | 116 | |||||
| 125 | Q | 30.5 | Very low | 33.6 | Very low | 176 Ų | 176 | 164.5 Ų | 164.5 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -123.4 | -173.5 | 167.8 | -90.3 | -166.6 | 20.9 | 0 | 0 | 107.4 | ||||
| 126 | P | 37.1 | Very low | 33.5 | Very low | 94 Ų | 94 | 160.7 Ų | 160.7 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | cis | -140.4 | -175.4 | 9.2 | 34 | -9.8 | 0 | 0 | 0 | 116.6 | ||||
| 127 | Q | 32.5 | Very low | 33.6 | Very low | 174 Ų | 174 | 161.3 Ų | 161.3 | 81% | 0.813 | 79% | 0.787 | S | S | * | * | 153.2 | 149.5 | 124.5 | -76.8 | -59.4 | 0.2 | 0 | 0 | 113.8 | |||||
| 128 | Q | 30 | Very low | 33.6 | Very low | 176 Ų | 176 | 160 Ų | 160 | 82% | 0.822 | 78% | 0.781 | S | S | * | * | trans | -117.8 | -156 | 174.8 | -52.5 | -173.9 | -6.5 | 0 | 0 | 109.2 | ||||
| 129 | P | 37.2 | Very low | 33.6 | Very low | 96 Ų | 96 | 160.5 Ų | 160.5 | 62% | 0.623 | 79% | 0.788 | S | S | * | * | cis | -135.7 | -175.2 | -17.4 | 39.5 | -21 | 0 | 0 | 0 | 114.4 | ||||
| 130 | Q | 33.4 | Very low | 33.8 | Very low | 172 Ų | 172 | 158.2 Ų | 158.2 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | 178.3 | 163.7 | 117.4 | -92.7 | -56.4 | -9.5 | 0 | 0 | 113.6 | |||||
| 131 | Q | 30.9 | Very low | 33.7 | Very low | 159 Ų | 159 | 155.8 Ų | 155.8 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | trans | -106.9 | 162.1 | -170.9 | -62.1 | -177 | -10.5 | 0 | 0 | 115.4 | ||||
| 132 | Y | 29.2 | Very low | 33.7 | Very low | 241 Ų | 241 | 156.1 Ų | 156.1 | 95% | 0.945 | 80% | 0.803 | S | S | * | * | trans | -141.3 | 149.9 | 148.6 | -95.4 | -83.9 | 0 | 0 | 0 | 110.8 | ||||
| 133 | R | 31.8 | Very low | 33.5 | Very low | 215 Ų | 215 | 153.8 Ų | 153.8 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -156.6 | 132.9 | -171.5 | -166.3 | -170.3 | -157.1 | -146.2 | 9.3 | 112.3 | ||||
| 134 | V | 33.3 | Very low | 33.4 | Very low | 136 Ų | 136 | 155.8 Ų | 155.8 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -144.1 | 102.5 | 170.2 | -175.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 135 | I | 33.6 | Very low | 33.5 | Very low | 140 Ų | 140 | 150.9 Ų | 150.9 | 72% | 0.718 | 80% | 0.803 | S | S | * | * | 76.1 | 121.7 | 76.9 | -63.1 | 164.3 | 0 | 0 | 0 | 112.7 | |||||
| 136 | A | 33.1 | Very low | 33.6 | Very low | 99 Ų | 99 | 151.3 Ų | 151.3 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | trans | -136.9 | 155.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 137 | T | 38.9 | Very low | 33.4 | Very low | 129 Ų | 129 | 154 Ų | 154 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -143.4 | 129.2 | -171.2 | 47.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 138 | P | 35.3 | Very low | 33.4 | Very low | 115 Ų | 115 | 151.9 Ų | 151.9 | 75% | 0.747 | 81% | 0.808 | S | S | * | * | trans | -94.6 | 163.4 | 174.3 | 37.6 | -34.2 | 0 | 0 | 0 | 112.8 | ||||
| 139 | L | 36.4 | Very low | 33.4 | Very low | 174 Ų | 174 | 147.7 Ų | 147.7 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | trans | -136.2 | 145.9 | 166.5 | -86 | 169.1 | 0 | 0 | 0 | 110.3 | ||||
| 140 | Q | 35.9 | Very low | 33.2 | Very low | 188 Ų | 188 | 153.9 Ų | 153.9 | 88% | 0.879 | 82% | 0.816 | S | S | * | * | trans | -122.4 | 167.9 | 175.1 | -92.5 | -169.2 | -12.1 | 0 | 0 | 111.9 | ||||
| 141 | T | 34 | Very low | 33.4 | Very low | 133 Ų | 133 | 150.9 Ų | 150.9 | 82% | 0.816 | 81% | 0.811 | S | S | * | * | trans | -81.2 | 158.8 | -167.9 | 48.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 142 | T | 33.2 | Very low | 33.3 | Very low | 149 Ų | 149 | 149.4 Ų | 149.4 | 91% | 0.914 | 81% | 0.813 | S | S | * | * | trans | -146.4 | 155.6 | 150 | -37 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 143 | N | 32 | Very low | 33.6 | Very low | 148 Ų | 148 | 143.9 Ų | 143.9 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | trans | -105.8 | 166.9 | -169.1 | -169 | -1 | 0 | 0 | 0 | 111.3 | ||||
| 144 | M | 31.8 | Very low | 33.6 | Very low | 178 Ų | 178 | 142.3 Ų | 142.3 | 88% | 0.877 | 81% | 0.811 | S | S | * | * | trans | 136 | 142.8 | 154.7 | -75.7 | -75.4 | -82.4 | 0 | 0 | 113.7 | ||||
| 145 | G | 33.9 | Very low | 33.6 | Very low | 76 Ų | 76 | 141.6 Ų | 141.6 | 78% | 0.784 | 81% | 0.812 | S | S | * | * | trans | 117.8 | 96.4 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 146 | Q | 32.3 | Very low | 33.4 | Very low | 185 Ų | 185 | 143.1 Ų | 143.1 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | -51.6 | 154.9 | 169.6 | -57.7 | 157.9 | -11 | 0 | 0 | 114.9 | ||||
| 147 | L | 32.5 | Very low | 33.5 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 82% | 0.822 | S | S | * | * | -178.6 | 147.1 | 119.9 | -96.4 | 160.8 | 0 | 0 | 0 | 113.1 | |||||
| 148 | N | 32.6 | Very low | 33.1 | Very low | 131 Ų | 131 | 146.1 Ų | 146.1 | 70% | 0.701 | 82% | 0.823 | S | S | * | * | trans | 37.3 | 118 | 161.2 | -54.8 | -12.9 | 0 | 0 | 0 | 119.3 | ||||
| 149 | A | 30.9 | Very low | 33.2 | Very low | 87 Ų | 87 | 145.3 Ų | 145.3 | 72% | 0.719 | 82% | 0.818 | S | S | * | * | cis | 69.2 | 109.5 | 33.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 150 | Y | 32.7 | Very low | 32.9 | Very low | 227 Ų | 227 | 141 Ų | 141 | 89% | 0.89 | 80% | 0.802 | S | S | * | * | trans | -170.9 | 163.3 | 146.2 | -89.4 | -50.3 | 0 | 0 | 0 | 109.4 | ||||
| 151 | P | 36.5 | Very low | 32.8 | Very low | 109 Ų | 109 | 141.4 Ų | 141.4 | 71% | 0.708 | 80% | 0.797 | S | S | * | * | trans | -132.7 | 166.7 | -138.3 | 39.8 | -21.5 | 0 | 0 | 0 | 118.1 | ||||
| 152 | V | 30.5 | Very low | 32.8 | Very low | 127 Ų | 127 | 141.4 Ų | 141.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 17.7 | 121.7 | 147 | -173.1 | 0 | 0 | 0 | 0 | 118.8 | Q154 | V152-Q154 HydrophobicContact CG1-CG 4.38Š| ||
| 153 | S | 34.8 | Very low | 32.7 | Very low | 126 Ų | 126 | 138.6 Ų | 138.6 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | trans | -134.7 | 141.6 | 145 | 58.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 154 | Q | 30.9 | Very low | 32.5 | Very low | 182 Ų | 182 | 139.1 Ų | 139.1 | 85% | 0.85 | 78% | 0.782 | S | S | * | * | trans | -102.8 | 145.4 | -177 | -62.9 | 172.4 | -9.8 | 0 | 0 | 111 | V152 | V152-Q154 HydrophobicContact CG1-CG 4.38Š| ||
| 155 | S | 33.9 | Very low | 32.4 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 84% | 0.839 | 78% | 0.776 | S | S | * | * | trans | -151.9 | 124.3 | 152.6 | 53.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 156 | N | 29.6 | Very low | 32.4 | Very low | 172 Ų | 172 | 138.1 Ų | 138.1 | 92% | 0.92 | 77% | 0.768 | S | S | * | * | trans | -82.8 | 135.1 | 174.8 | -81.7 | -34 | 0 | 0 | 0 | 110.7 | ||||
| 157 | S | 34.4 | Very low | 32.3 | Very low | 119 Ų | 119 | 134.6 Ų | 134.6 | 83% | 0.832 | 76% | 0.759 | S | S | * | * | trans | -152.1 | 70.2 | 156.3 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 158 | Q | 31.8 | Very low | 32.2 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 81% | 0.808 | 75% | 0.754 | S | S | * | * | trans | -63 | 170.4 | 147.1 | -90.8 | -96.8 | -24.5 | 0 | 0 | 109.9 | ||||
| 159 | P | 37.6 | Very low | 32.2 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -135.6 | -179 | 5.5 | 40.7 | -23.7 | 0 | 0 | 0 | 116 | ||||
| 160 | S | 30.1 | Very low | 32 | Very low | 82 Ų | 82 | 143.4 Ų | 143.4 | 57% | 0.573 | 77% | 0.77 | S | S | * | * | trans | 67 | 163.9 | 142.2 | -87.1 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 161 | Y | 33.6 | Very low | 32 | Very low | 197 Ų | 197 | 136.3 Ų | 136.3 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | cis | -144.3 | 157.5 | -0.3 | -115.6 | -51.2 | 0 | 0 | 0 | 110.6 | ||||
| 162 | N | 32.2 | Very low | 31.8 | Very low | 133 Ų | 133 | 140 Ų | 140 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 36.3 | 121.2 | 155.5 | -61.9 | -10.3 | 0 | 0 | 0 | 119.4 | ||||
| 163 | A | 31.1 | Very low | 31.9 | Very low | 90 Ų | 90 | 140 Ų | 140 | 74% | 0.744 | 78% | 0.779 | S | S | * | * | cis | 65.9 | 107.5 | 37.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 164 | Q | 29.8 | Very low | 31.9 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | -163.2 | 119.4 | 147 | -127.1 | -179 | -0.4 | 0 | 0 | 112.1 | N166 | Q164-N166 PolarHBondContact NE2-ND2 3.15Å; Q164-N166 PolarHBondContact OE1-ND2 3.23Å | ||
| 165 | P | 29.5 | Very low | 32.1 | Very low | 117 Ų | 117 | 137.9 Ų | 137.9 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | -97.1 | 115.8 | 157.3 | 32.8 | -24.4 | 0 | 0 | 0 | 109.6 | ||||
| 166 | N | 32.5 | Very low | 32.1 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 62% | 0.62 | 77% | 0.768 | S | S | * | * | trans | -125.7 | 135 | 170.1 | -67.5 | -38 | 0 | 0 | 0 | 108.3 | Q164 | Q164-N166 PolarHBondContact NE2-ND2 3.15Å; Q164-N166 PolarHBondContact OE1-ND2 3.23Å | ||
| 167 | V | 31.6 | Very low | 32.3 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 67% | 0.673 | 76% | 0.759 | S | S | * | * | cis | 81.1 | 95.2 | 30.4 | -172.2 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 168 | I | 29.9 | Very low | 32.3 | Very low | 132 Ų | 132 | 138 Ų | 138 | 68% | 0.677 | 75% | 0.752 | S | S | * | * | trans | 55.3 | 122.5 | 145.8 | -45.1 | 165.8 | 0 | 0 | 0 | 118.3 | ||||
| 169 | Y | 31.7 | Very low | 32.4 | Very low | 213 Ų | 213 | 137.2 Ų | 137.2 | 84% | 0.835 | 75% | 0.748 | S | S | * | * | 177.4 | 140.8 | 111 | -105.5 | -73.9 | 0 | 0 | 0 | 114.6 | |||||
| 170 | F | 27.9 | Very low | 32.2 | Very low | 208 Ų | 208 | 139.7 Ų | 139.7 | 91% | 0.912 | 76% | 0.755 | S | S | * | * | trans | -71.5 | 136.2 | 152.7 | -94.6 | -104.1 | 0 | 0 | 0 | 109.1 | ||||
| 171 | G | 32.9 | Very low | 32.5 | Very low | 78 Ų | 78 | 140.7 Ų | 140.7 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -163.7 | 132.2 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 172 | Q | 32.1 | Very low | 32.3 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 86% | 0.864 | 76% | 0.76 | S | S | * | * | trans | -100.7 | 159.6 | -177.5 | -67.5 | -174.9 | -4.3 | 0 | 0 | 112.9 | ||||
| 173 | S | 31.8 | Very low | 32.4 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 90% | 0.895 | 76% | 0.764 | S | S | * | * | trans | 69.7 | 143.6 | 161.8 | 76.8 | 0 | 0 | 0 | 0 | 117 | ||||
| 174 | G | 35.4 | Very low | 32.6 | Very low | 76 Ų | 76 | 144.6 Ų | 144.6 | 78% | 0.784 | 77% | 0.769 | S | S | * | * | trans | 173.5 | 28.4 | -174.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 175 | Q | 34.6 | Very low | 33.3 | Very low | 188 Ų | 188 | 142 Ų | 142 | 88% | 0.879 | 77% | 0.767 | S | S | * | * | trans | -138.4 | 134.6 | 156 | -67.2 | -163.9 | 9.8 | 0 | 0 | 107.5 | ||||
| 176 | T | 34.2 | Very low | 33.6 | Very low | 112 Ų | 112 | 147 Ų | 147 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | -156.5 | 132.8 | 61.3 | -59.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 177 | Q | 32.9 | Very low | 34.2 | Very low | 153 Ų | 153 | 149 Ų | 149 | 72% | 0.715 | 78% | 0.777 | S | S | * | * | trans | 69.1 | 142.7 | 155.1 | -79 | -177.4 | 51.4 | 0 | 0 | 123.5 | ||||
| 178 | Q | 35 | Very low | 34.6 | Very low | 149 Ų | 149 | 148.2 Ų | 148.2 | 70% | 0.696 | 77% | 0.774 | S | S | * | * | trans | 68.5 | 141.9 | 150 | -71.7 | 177 | 59.3 | 0 | 0 | 119.8 | ||||
| 179 | Q | 33.1 | Very low | 34.9 | Very low | 155 Ų | 155 | 149.6 Ų | 149.6 | 72% | 0.724 | 78% | 0.778 | S | S | * | * | cis | -167.1 | 154.3 | -29 | -129.3 | -179.3 | 32.5 | 0 | 0 | 110.4 | ||||
| 180 | L | 34 | Very low | 35 | Very low | 150 Ų | 150 | 144 Ų | 144 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | 71.3 | 157.7 | 158.2 | -64.7 | 165.5 | 0 | 0 | 0 | 119.2 | ||||
| 181 | P | 36.2 | Very low | 35.3 | Very low | 103 Ų | 103 | 141 Ų | 141 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | -144 | -165.9 | -143.9 | 43.7 | -22.8 | 0 | 0 | 0 | 117.6 | ||||
| 182 | L | 30.6 | Very low | 35.4 | Very low | 149 Ų | 149 | 144 Ų | 144 | 78% | 0.78 | 75% | 0.748 | S | S | * | * | trans | 70.9 | 107.1 | 151 | -79.9 | 170.8 | 0 | 0 | 0 | 121.3 | ||||
| 183 | Q | 34.7 | Very low | 35.4 | Very low | 170 Ų | 170 | 143 Ų | 143 | 79% | 0.794 | 74% | 0.743 | S | S | * | * | 170.6 | 128.7 | 106.3 | -96.6 | 165.9 | 107 | 0 | 0 | 117.6 | |||||
| 184 | Q | 35 | Very low | 35.6 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 86% | 0.855 | 74% | 0.739 | S | S | * | * | trans | 51.1 | 160.6 | 131.9 | -71.6 | -156.1 | -2.8 | 0 | 0 | 125.6 | ||||
| 185 | P | 44.7 | Very low | 35.6 | Very low | 106 Ų | 106 | 142.6 Ų | 142.6 | 69% | 0.688 | 73% | 0.732 | S | S | * | * | trans | -126.9 | -176.9 | -159.4 | 45 | -30.2 | 0 | 0 | 0 | 116.1 | ||||
| 186 | Y | 35.9 | Very low | 35.6 | Very low | 221 Ų | 221 | 142.6 Ų | 142.6 | 87% | 0.867 | 73% | 0.732 | S | S | * | * | trans | -146.5 | 125.6 | 165.2 | -100.8 | -92.4 | 0 | 0 | 0 | 114 | ||||
| 187 | H | 44 | Very low | 35.6 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | 19.9 | 167.9 | 127.4 | -86.4 | -84.1 | 0 | 0 | 0 | 123.1 | |||||
| 188 | P | 41 | Very low | 35.8 | Very low | 93 Ų | 93 | 141.3 Ų | 141.3 | 60% | 0.604 | 73% | 0.728 | S | S | * | * | cis | -142.2 | 171.6 | -15.4 | 40.7 | -22.6 | 0 | 0 | 0 | 116.9 | ||||
| 189 | E | 35.1 | Very low | 35.5 | Very low | 162 Ų | 162 | 144.8 Ų | 144.8 | 76% | 0.757 | 74% | 0.736 | S | S | * | * | trans | 44 | 163.5 | 130.8 | -64.6 | 179.3 | 102.5 | 0 | 0 | 123.9 | ||||
| 190 | T | 33.5 | Very low | 35.5 | Very low | 95 Ų | 95 | 142 Ų | 142 | 58% | 0.583 | 74% | 0.739 | S | S | * | * | cis | -162.3 | 171 | 2.6 | 6.6 | 0 | 0 | 0 | 0 | 113 | ||||
| 191 | Q | 34.8 | Very low | 35.4 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | trans | 71 | 150.9 | 144.8 | -74.2 | 167.7 | 85.2 | 0 | 0 | 118.8 | ||||
| 192 | Q | 35.9 | Very low | 35.6 | Very low | 142 Ų | 142 | 147.4 Ų | 147.4 | 66% | 0.664 | 75% | 0.752 | S | S | * | * | cis | -154.8 | -178.1 | -7.9 | -131.7 | 164.5 | 32.6 | 0 | 0 | 114 | ||||
| 193 | Q | 32 | Very low | 35.7 | Very low | 164 Ų | 164 | 144.9 Ų | 144.9 | 77% | 0.766 | 75% | 0.752 | S | S | * | * | trans | -44.4 | 166.6 | 173.3 | -54.5 | 145.6 | 8 | 0 | 0 | 114.7 | ||||
| 194 | V | 35.3 | Very low | 35.6 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | cis | -154.7 | 154.5 | 37.2 | 177.9 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 195 | G | 34.6 | Very low | 35.5 | Very low | 61 Ų | 61 | 141.5 Ų | 141.5 | 63% | 0.629 | 75% | 0.749 | S | S | * | * | cis | 140.1 | 159.1 | 1.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 196 | Q | 35.6 | Very low | 34.7 | Very low | 187 Ų | 187 | 141.7 Ų | 141.7 | 87% | 0.874 | 75% | 0.752 | S | S | * | * | trans | 73.2 | 148.8 | 168.2 | -58.3 | -161.9 | 6.8 | 0 | 0 | 117.9 | ||||
| 197 | V | 34.5 | Very low | 34.6 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 64% | 0.642 | 75% | 0.752 | S | S | * | * | cis | -161.4 | 141.7 | -8.1 | 121.2 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 198 | I | 35.5 | Very low | 34.2 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 68% | 0.677 | 75% | 0.749 | S | S | * | * | trans | 46.4 | 104.6 | 146 | -57 | 176.2 | 0 | 0 | 0 | 118.4 | ||||
| 199 | Y | 30.1 | Very low | 34.2 | Very low | 223 Ų | 223 | 138.8 Ų | 138.8 | 88% | 0.875 | 76% | 0.755 | S | S | * | * | 57.7 | 112.7 | 90.6 | -61.3 | -65.3 | 0 | 0 | 0 | 118.1 | |||||
| 200 | A | 33.1 | Very low | 34.4 | Very low | 95 Ų | 95 | 137.2 Ų | 137.2 | 79% | 0.785 | 76% | 0.759 | S | S | * | * | 173.1 | 105 | 128.7 | 0 | 0 | 0 | 0 | 0 | 108.3 | |||||
| 201 | R | 31.9 | Very low | 34.4 | Very low | 245 Ų | 245 | 135.1 Ų | 135.1 | 93% | 0.925 | 76% | 0.756 | S | S | * | * | 75.8 | 146.8 | 84.3 | -92.9 | -156.1 | 166.8 | -168.8 | -2.7 | 114.8 | |||||
| 202 | P | 40.4 | Very low | 34.4 | Very low | 122 Ų | 122 | 135.1 Ų | 135.1 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | trans | -109.1 | 159.2 | -149.5 | 40.1 | -34.2 | 0 | 0 | 0 | 114.7 | ||||
| 203 | A | 31.9 | Very low | 34.3 | Very low | 96 Ų | 96 | 131.5 Ų | 131.5 | 79% | 0.793 | 76% | 0.761 | S | S | * | * | trans | -151.4 | 134.7 | 153.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 204 | S | 32 | Very low | 34.3 | Very low | 106 Ų | 106 | 134.5 Ų | 134.5 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | trans | -4.4 | 121.4 | 149.7 | -44 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 205 | Q | 33.9 | Very low | 34.3 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | -166.1 | 154.2 | 123.2 | -108.4 | 149.1 | 108.1 | 0 | 0 | 113.5 | |||||
| 206 | S | 28.6 | Very low | 34.1 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -75.9 | 121.1 | 173.2 | 49.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 207 | Y | 33.9 | Very low | 33.9 | Very low | 218 Ų | 218 | 136.8 Ų | 136.8 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -146.1 | 141.4 | 164.8 | -97.4 | -78.4 | 0 | 0 | 0 | 112.7 | ||||
| 208 | A | 33.9 | Very low | 33.8 | Very low | 83 Ų | 83 | 135.5 Ų | 135.5 | 69% | 0.686 | 77% | 0.772 | S | S | * | * | trans | -138.8 | 176.8 | 160.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 209 | P | 42.7 | Very low | 33.7 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -112.6 | -137.3 | -12.7 | 28.1 | -4.7 | 0 | 0 | 0 | 109.3 | ||||
| 210 | P | 39.1 | Very low | 33.7 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 84% | 0.844 | 78% | 0.775 | S | S | * | * | -123.9 | 164.1 | 60.5 | 40 | -31.9 | 0 | 0 | 0 | 114.4 | |||||
| 211 | G | 33.2 | Very low | 33.8 | Very low | 51 Ų | 51 | 136.5 Ų | 136.5 | 53% | 0.526 | 77% | 0.77 | S | S | . | * | cis | 137.5 | 23.8 | -1.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | A213 | G211-A213 WeakPolarHBondContact O-CB 3.37Š| ||
| 212 | T | 34.9 | Very low | 33.9 | Very low | 144 Ų | 144 | 132.3 Ų | 132.3 | 88% | 0.883 | 76% | 0.761 | S | S | * | * | trans | -133.3 | 90.6 | 173.6 | 31.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 213 | A | 32.7 | Very low | 33.7 | Very low | 66 Ų | 66 | 135 Ų | 135 | 55% | 0.545 | 76% | 0.763 | S | S | . | * | cis | 79.2 | 96.2 | 22.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | G211 | G211-A213 WeakPolarHBondContact O-CB 3.37Š| ||
| 214 | Y | 31.6 | Very low | 34.2 | Very low | 226 Ų | 226 | 135.8 Ų | 135.8 | 89% | 0.886 | 76% | 0.761 | S | S | * | * | trans | 73 | 158.2 | 156 | -56.9 | -69.5 | 0 | 0 | 0 | 119.9 | ||||
| 215 | P | 36.9 | Very low | 34.4 | Very low | 119 Ų | 119 | 137.9 Ų | 137.9 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | cis | -125.6 | 165 | -18.7 | 28.4 | -9 | 0 | 0 | 0 | 114.6 | ||||
| 216 | T | 30.5 | Very low | 34.4 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -75.5 | 162.1 | 160.1 | -40.7 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 217 | Q | 31.1 | Very low | 34.8 | Very low | 183 Ų | 183 | 134.3 Ų | 134.3 | 86% | 0.855 | 77% | 0.765 | S | S | * | * | trans | 97.8 | 136.3 | 158.5 | -57.3 | -168.6 | -12 | 0 | 0 | 119.7 | ||||
| 218 | A | 32.4 | Very low | 34.8 | Very low | 79 Ų | 79 | 130 Ų | 130 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | 86.4 | 98.7 | 139.7 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 219 | Q | 32.6 | Very low | 34.8 | Very low | 170 Ų | 170 | 134 Ų | 134 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | 79.2 | 134.4 | 122.4 | -68.3 | 177.3 | -4.4 | 0 | 0 | 120.1 | |||||
| 220 | F | 31.3 | Very low | 34.2 | Very low | 189 Ų | 189 | 132.7 Ų | 132.7 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | 22.9 | 129.3 | 143.8 | -60.9 | -97.1 | 0 | 0 | 0 | 117.6 | ||||
| 221 | T | 33.3 | Very low | 34.1 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 68% | 0.681 | 77% | 0.768 | S | S | * | * | -171 | 137 | 61.2 | -54.7 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 222 | Q | 36 | Very low | 34.2 | Very low | 158 Ų | 158 | 142 Ų | 142 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | trans | 26.6 | 133.1 | 152.6 | -56.6 | 177.6 | 87.5 | 0 | 0 | 123.5 | ||||
| 223 | Q | 36.2 | Very low | 34.2 | Very low | 177 Ų | 177 | 141.2 Ų | 141.2 | 83% | 0.827 | 78% | 0.778 | S | S | * | * | trans | 82.2 | 154.8 | 136.4 | -78.2 | -174.1 | 2.5 | 0 | 0 | 120.6 | ||||
| 224 | P | 41.1 | Very low | 34.3 | Very low | 114 Ų | 114 | 142.9 Ų | 142.9 | 74% | 0.74 | 78% | 0.781 | S | S | * | * | trans | -112.9 | 173.4 | -157.7 | 42.6 | -33.5 | 0 | 0 | 0 | 113.9 | ||||
| 225 | D | 36.3 | Very low | 34.5 | Very low | 150 Ų | 150 | 138.3 Ų | 138.3 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | trans | -149.2 | 174 | 142.3 | -138.8 | -39.7 | 0 | 0 | 0 | 112.4 | ||||
| 226 | T | 34.7 | Very low | 34.3 | Very low | 128 Ų | 128 | 140.1 Ų | 140.1 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -74.2 | 156.7 | -164.1 | 48.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 227 | G | 36.3 | Very low | 34.5 | Very low | 82 Ų | 82 | 142 Ų | 142 | 85% | 0.845 | 77% | 0.774 | S | S | * | * | trans | -168.3 | 70.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 228 | T | 33 | Very low | 34.7 | Very low | 128 Ų | 128 | 139.3 Ų | 139.3 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | -70.3 | 137.9 | -174.7 | -51.5 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 229 | L | 34.3 | Very low | 35 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -152.2 | 143 | 142.5 | -109.9 | 174.4 | 0 | 0 | 0 | 110.6 | ||||
| 230 | S | 31.2 | Very low | 35 | Very low | 86 Ų | 86 | 139.1 Ų | 139.1 | 60% | 0.601 | 78% | 0.78 | S | S | * | * | trans | -146.3 | 144.4 | -166.9 | 59.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 231 | F | 36.4 | Very low | 35.3 | Very low | 206 Ų | 206 | 135.4 Ų | 135.4 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -131.7 | 144.8 | 164.3 | -85.3 | -82.8 | 0 | 0 | 0 | 111.5 | ||||
| 232 | Q | 34.6 | Very low | 35.4 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -102.4 | 157.3 | -169.7 | -55.7 | 168.8 | -70.8 | 0 | 0 | 112 | ||||
| 233 | P | 35.7 | Very low | 35.3 | Very low | 127 Ų | 127 | 136.5 Ų | 136.5 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | trans | -111.6 | 145.2 | 141.6 | 35.4 | -28.2 | 0 | 0 | 0 | 110.5 | ||||
| 234 | T | 34.2 | Very low | 35.2 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 63% | 0.626 | 78% | 0.781 | S | S | * | * | trans | -156 | 146.7 | 172.6 | -46.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 235 | N | 36.7 | Very low | 34.9 | Very low | 129 Ų | 129 | 135.5 Ų | 135.5 | 69% | 0.69 | 78% | 0.783 | S | S | * | * | trans | 69.6 | 147.7 | 173.9 | -64.4 | -34.1 | 0 | 0 | 0 | 117.5 | ||||
| 236 | Q | 32.1 | Very low | 34.8 | Very low | 158 Ų | 158 | 135.8 Ų | 135.8 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | cis | -171.9 | 141.1 | -35.2 | -127.5 | -172.9 | 96.9 | 0 | 0 | 107.7 | ||||
| 237 | L | 34.6 | Very low | 34.7 | Very low | 168 Ų | 168 | 137.2 Ų | 137.2 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | 160.6 | 158.8 | 138.8 | -87.4 | 161.4 | 0 | 0 | 0 | 111.7 | ||||
| 238 | T | 36.3 | Very low | 34.6 | Very low | 128 Ų | 128 | 139.4 Ų | 139.4 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | trans | -103.6 | 158.3 | -162.4 | 42.7 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 239 | P | 37.4 | Very low | 34.6 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | trans | -92.8 | 171.8 | -170.6 | 38.1 | -38.1 | 0 | 0 | 0 | 114.7 | ||||
| 240 | S | 33.9 | Very low | 35 | Very low | 119 Ų | 119 | 140.3 Ų | 140.3 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -137.6 | 136.2 | 162 | 59.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 241 | S | 36.8 | Very low | 35.3 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -96.4 | 144 | -170 | -36.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 242 | Q | 35.3 | Very low | 35.2 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -156.2 | 130.2 | 142.2 | -75.2 | -153.8 | 5.6 | 0 | 0 | 111.7 | ||||
| 243 | P | 34.5 | Very low | 35.1 | Very low | 121 Ų | 121 | 137.8 Ų | 137.8 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -100.4 | 134.4 | 156.7 | 34.5 | -26.6 | 0 | 0 | 0 | 110.6 | ||||
| 244 | I | 34 | Very low | 35.2 | Very low | 141 Ų | 141 | 139.2 Ų | 139.2 | 72% | 0.723 | 77% | 0.765 | S | S | * | * | trans | -110.1 | 108.8 | 174.9 | -63.3 | 179.1 | 0 | 0 | 0 | 109.7 | ||||
| 245 | T | 33.9 | Very low | 35.3 | Very low | 128 Ų | 128 | 139.7 Ų | 139.7 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 128.6 | 168.4 | -57.6 | 0 | 0 | 0 | 0 | 109.6 | ||
| 246 | I | 35.6 | Very low | 35.2 | Very low | 156 Ų | 156 | 138.5 Ų | 138.5 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -85 | 125.2 | 173.7 | -62.6 | 178.2 | 0 | 0 | 0 | 109 | ||
| 247 | Q | 32.6 | Very low | 35.3 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -80.7 | 168.3 | 174.7 | -59.7 | -175.9 | -6.2 | 0 | 0 | 111.2 | ||
| 248 | P | 32.8 | Very low | 35.4 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | -137.1 | 144.3 | 94.9 | 37 | -27.4 | 0 | 0 | 0 | 113.7 | |||||
| 249 | N | 34.4 | Very low | 35.4 | Very low | 148 Ų | 148 | 137.4 Ų | 137.4 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -152.5 | 169 | 150.2 | -139.5 | -23.2 | 0 | 0 | 0 | 112.7 | ||||
| 250 | H | 41.7 | Very low | 35.3 | Very low | 164 Ų | 164 | 140.7 Ų | 140.7 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | -99 | 147.8 | -166.1 | -98.4 | 6.7 | 0 | 0 | 0 | 115.7 | ||||
| 251 | Q | 37 | Very low | 35.4 | Very low | 165 Ų | 165 | 141.2 Ų | 141.2 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | trans | 68.8 | 110.8 | 142.5 | -70.6 | -174.3 | -9.1 | 0 | 0 | 122.9 | ||||
| 252 | V | 34.8 | Very low | 35.4 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 72% | 0.721 | 75% | 0.746 | S | S | * | * | 71 | 97.6 | 117.3 | -179.5 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 253 | N | 33.3 | Very low | 35.5 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | 71.3 | 126.5 | 130.1 | -77.1 | -9.4 | 0 | 0 | 0 | 123.9 | ||||
| 254 | Q | 37.1 | Very low | 35.5 | Very low | 156 Ų | 156 | 139.6 Ų | 139.6 | 73% | 0.729 | 74% | 0.743 | S | S | * | * | trans | 75.4 | 138.1 | 134.2 | -65.7 | 178.7 | 56.9 | 0 | 0 | 117.4 | ||||
| 255 | T | 35.6 | Very low | 35.5 | Very low | 113 Ų | 113 | 142.6 Ų | 142.6 | 69% | 0.693 | 75% | 0.746 | S | S | * | * | cis | -157.2 | 157.5 | 5.8 | -4.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 256 | T | 35.2 | Very low | 35.5 | Very low | 103 Ų | 103 | 143.3 Ų | 143.3 | 63% | 0.632 | 74% | 0.738 | S | S | * | * | trans | 73.3 | 101.6 | 138.5 | -62.9 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 257 | Q | 34.7 | Very low | 35.5 | Very low | 155 Ų | 155 | 143.5 Ų | 143.5 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | 64.9 | 155.5 | 126.9 | -60.7 | 178.6 | 42.9 | 0 | 0 | 120.1 | |||||
| 258 | Q | 37.1 | Very low | 35.5 | Very low | 149 Ų | 149 | 143.9 Ų | 143.9 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | cis | -148 | 168.8 | 0.7 | -135.8 | -178.3 | 79.5 | 0 | 0 | 113 | ||||
| 259 | N | 35.1 | Very low | 35.5 | Very low | 127 Ų | 127 | 144.9 Ų | 144.9 | 68% | 0.679 | 74% | 0.741 | S | S | * | * | trans | -50.2 | 156.4 | 176.4 | -63.2 | -52 | 0 | 0 | 0 | 116.2 | ||||
| 260 | F | 36.4 | Very low | 35.5 | Very low | 194 Ų | 194 | 142 Ų | 142 | 85% | 0.851 | 73% | 0.732 | S | S | * | * | -153.7 | 174.5 | 98.8 | -112.5 | -81.1 | 0 | 0 | 0 | 111.7 | |||||
| 261 | N | 35.7 | Very low | 35 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 70% | 0.695 | 74% | 0.736 | S | S | * | * | trans | -151.8 | 171.1 | -144.6 | -162.1 | -5.1 | 0 | 0 | 0 | 112.5 | ||||
| 262 | Q | 37.4 | Very low | 35.1 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 79% | 0.79 | 74% | 0.735 | S | S | * | * | trans | 77.6 | 154.1 | 171.5 | -60.9 | 175 | 86.7 | 0 | 0 | 117.8 | ||||
| 263 | A | 36.2 | Very low | 35.1 | Very low | 88 Ų | 88 | 141.2 Ų | 141.2 | 73% | 0.727 | 74% | 0.739 | S | S | * | * | cis | -166.3 | 162.8 | -24 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 264 | S | 35.3 | Very low | 35.3 | Very low | 114 Ų | 114 | 141 Ų | 141 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | trans | -50.5 | 158.2 | 175.6 | -28.8 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 265 | R | 33.7 | Very low | 35 | Very low | 203 Ų | 203 | 139 Ų | 139 | 77% | 0.766 | 75% | 0.748 | S | S | * | * | 178.2 | 153.9 | 113.4 | -108.8 | 168.7 | 162.6 | -167.1 | -4.8 | 117.9 | |||||
| 266 | F | 33.4 | Very low | 35 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 63% | 0.627 | 75% | 0.75 | S | S | * | * | trans | 66.6 | 153.5 | 149 | -64.9 | -38 | 0 | 0 | 0 | 120.6 | ||||
| 267 | Q | 35.5 | Very low | 34.9 | Very low | 160 Ų | 160 | 143 Ų | 143 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | cis | -162.7 | 173.5 | -36.8 | -138.8 | 174.2 | 8.3 | 0 | 0 | 111.5 | ||||
| 268 | H | 32.2 | Very low | 34.6 | Very low | 168 Ų | 168 | 141.7 Ų | 141.7 | 78% | 0.778 | 77% | 0.766 | S | S | * | * | trans | -56.4 | 147.7 | 179.7 | -67.1 | -111.8 | 0 | 0 | 0 | 116.9 | ||||
| 269 | V | 33.8 | Very low | 34.7 | Very low | 149 Ų | 149 | 140.1 Ų | 140.1 | 90% | 0.903 | 77% | 0.769 | S | S | * | * | trans | -145.5 | 162.3 | 132.7 | -175.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 270 | S | 34.2 | Very low | 34.5 | Very low | 87 Ų | 87 | 142 Ų | 142 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | -130.7 | 158.1 | -169.6 | -46.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 271 | N | 31 | Very low | 34.4 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | trans | 66.8 | 165.8 | 157.6 | -69.9 | 3.7 | 0 | 0 | 0 | 118.6 | ||||
| 272 | P | 39 | Very low | 34.2 | Very low | 117 Ų | 117 | 144 Ų | 144 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | cis | -132.1 | -170.1 | -36.1 | 36.4 | -18.2 | 0 | 0 | 0 | 113.6 | ||||
| 273 | I | 35.3 | Very low | 34.1 | Very low | 157 Ų | 157 | 141.7 Ų | 141.7 | 81% | 0.805 | 78% | 0.776 | S | S | * | * | trans | -66.3 | 145.5 | -179.2 | -56.2 | 157.5 | 0 | 0 | 0 | 113.4 | ||||
| 274 | P | 37.4 | Very low | 33.9 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | trans | -130.8 | 157 | 131.3 | 38 | -29.7 | 0 | 0 | 0 | 113.5 | ||||
| 275 | S | 30.4 | Very low | 33.8 | Very low | 115 Ų | 115 | 144.9 Ų | 144.9 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -108 | 131.3 | -179.9 | 51.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 276 | S | 35.1 | Very low | 33.8 | Very low | 105 Ų | 105 | 141.7 Ų | 141.7 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -163.7 | 120.5 | 167.4 | 59.3 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 277 | Q | 33.4 | Very low | 33.7 | Very low | 193 Ų | 193 | 143.1 Ų | 143.1 | 90% | 0.902 | 77% | 0.769 | S | S | * | * | trans | 69.1 | 144.7 | 133.2 | -60.4 | -179.2 | 13.1 | 0 | 0 | 122.3 | ||||
| 278 | T | 29.3 | Very low | 33.6 | Very low | 129 Ų | 129 | 139.3 Ų | 139.3 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | -83.9 | 150.1 | -178.3 | -32.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 279 | P | 38.4 | Very low | 33.6 | Very low | 115 Ų | 115 | 142 Ų | 142 | 75% | 0.747 | 77% | 0.77 | S | S | * | * | trans | -88 | 108.9 | 156.1 | 32.5 | -28.2 | 0 | 0 | 0 | 110.8 | ||||
| 280 | Q | 31.3 | Very low | 33.6 | Very low | 166 Ų | 166 | 140.4 Ų | 140.4 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | -94.5 | 135.6 | 154.1 | -124.4 | -166.9 | 2.2 | 0 | 0 | 107.7 | ||||
| 281 | F | 35.2 | Very low | 33.4 | Very low | 204 Ų | 204 | 145 Ų | 145 | 90% | 0.895 | 78% | 0.777 | S | S | * | * | trans | -122.5 | 128.8 | 163.9 | -100.1 | -84.5 | 0 | 0 | 0 | 110.6 | ||||
| 282 | Q | 30.4 | Very low | 33.5 | Very low | 163 Ų | 163 | 145.5 Ų | 145.5 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | -98.3 | 158.8 | 177.4 | -60.2 | 172 | -27.5 | 0 | 0 | 110 | ||||
| 283 | V | 35.9 | Very low | 33 | Very low | 121 Ų | 121 | 149.1 Ų | 149.1 | 73% | 0.733 | 79% | 0.785 | S | S | * | * | trans | 170.5 | 110.1 | 142.3 | 145.9 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 284 | Q | 32.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 146.8 Ų | 146.8 | 75% | 0.748 | 78% | 0.782 | S | S | * | * | 56.7 | 135.5 | 90 | -78.6 | -178.5 | -15.4 | 0 | 0 | 112.8 | |||||
| 285 | N | 32 | Very low | 32.5 | Very low | 109 Ų | 109 | 150.6 Ų | 150.6 | 58% | 0.583 | 79% | 0.787 | S | S | * | * | cis | -163.2 | 161.2 | 26.2 | -132.5 | -18.4 | 0 | 0 | 0 | 113.7 | ||||
| 286 | Q | 34.8 | Very low | 32.5 | Very low | 135 Ų | 135 | 150.8 Ų | 150.8 | 63% | 0.631 | 79% | 0.785 | S | S | * | * | trans | 61.9 | 119.5 | 151.1 | -72.1 | 169.9 | 79.1 | 0 | 0 | 119 | ||||
| 287 | Q | 31.4 | Very low | 32.2 | Very low | 173 Ų | 173 | 154.8 Ų | 154.8 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | 64.7 | 134.7 | 93.8 | -61.6 | 172 | 23.5 | 0 | 0 | 113.3 | |||||
| 288 | A | 32.9 | Very low | 32.3 | Very low | 80 Ų | 80 | 150.2 Ų | 150.2 | 66% | 0.661 | 78% | 0.779 | S | S | * | * | cis | -160.3 | -179.7 | 35.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 289 | Y | 31.8 | Very low | 32.3 | Very low | 226 Ų | 226 | 152.4 Ų | 152.4 | 89% | 0.886 | 78% | 0.784 | S | S | * | * | trans | -0.4 | 150.3 | 160.2 | -56.1 | -73.8 | 0 | 0 | 0 | 120.8 | ||||
| 290 | S | 34.4 | Very low | 32 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | cis | -158.5 | 172.7 | 20.8 | 29.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 291 | Q | 30.5 | Very low | 32 | Very low | 184 Ų | 184 | 151.3 Ų | 151.3 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -64.4 | 155.8 | 175.7 | -54.4 | 165 | 4.7 | 0 | 0 | 114.3 | ||||
| 292 | I | 32.6 | Very low | 32.2 | Very low | 166 Ų | 166 | 146.3 Ų | 146.3 | 85% | 0.851 | 77% | 0.772 | S | S | * | * | trans | -164.9 | 150.7 | 130.9 | -101.4 | 154.8 | 0 | 0 | 0 | 109.8 | ||||
| 293 | Q | 29.5 | Very low | 32.3 | Very low | 194 Ų | 194 | 148.5 Ų | 148.5 | 91% | 0.907 | 78% | 0.775 | S | S | * | * | trans | -101.8 | 126.4 | -179.7 | -61.2 | 169.7 | -14.8 | 0 | 0 | 111.5 | ||||
| 294 | S | 32.3 | Very low | 32.2 | Very low | 108 Ų | 108 | 148 Ų | 148 | 76% | 0.755 | 77% | 0.773 | S | S | * | * | trans | -162.3 | 111.8 | 156.8 | 56.6 | 0 | 0 | 0 | 0 | 115 | ||||
| 295 | K | 29.1 | Very low | 32.3 | Very low | 202 Ų | 202 | 145.8 Ų | 145.8 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | 15.9 | 133.6 | 136.6 | -149.3 | 170.9 | -174 | 177.5 | 0 | 119.5 | ||||
| 296 | P | 29.8 | Very low | 32.2 | Very low | 118 Ų | 118 | 149.1 Ų | 149.1 | 77% | 0.766 | 79% | 0.787 | S | S | * | * | trans | -84 | 149.8 | -176.6 | 34.7 | -36.8 | 0 | 0 | 0 | 114.8 | ||||
| 297 | Q | 28.6 | Very low | 32.1 | Very low | 190 Ų | 190 | 148.6 Ų | 148.6 | 89% | 0.888 | 79% | 0.793 | S | S | * | * | trans | -173.4 | 166.7 | 156.6 | -97 | -88 | -54.9 | 0 | 0 | 109.9 | ||||
| 298 | P | 36.8 | Very low | 32 | Very low | 97 Ų | 97 | 145.9 Ų | 145.9 | 63% | 0.63 | 78% | 0.784 | S | S | * | * | trans | -105 | -177.2 | -166.7 | 41.7 | -35.5 | 0 | 0 | 0 | 114.6 | ||||
| 299 | I | 27.9 | Very low | 32 | Very low | 175 Ų | 175 | 151 Ų | 151 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | 162.3 | 151.8 | 163 | -91 | 154.8 | 0 | 0 | 0 | 106.9 | ||||
| 300 | A | 32.4 | Very low | 32 | Very low | 91 Ų | 91 | 144.9 Ų | 144.9 | 75% | 0.752 | 77% | 0.774 | S | S | * | * | cis | -141.1 | 173.8 | 21.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 301 | Q | 31.6 | Very low | 31.9 | Very low | 166 Ų | 166 | 146.9 Ų | 146.9 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -96.7 | -170.1 | 165.7 | -62.7 | -177.7 | -28.6 | 0 | 0 | 111.5 | ||||
| 302 | P | 38.6 | Very low | 32.1 | Very low | 99 Ų | 99 | 145.3 Ų | 145.3 | 64% | 0.643 | 77% | 0.767 | S | S | * | * | -143.3 | 179.5 | 88.4 | 45.1 | -31.5 | 0 | 0 | 0 | 113.2 | |||||
| 303 | Y | 34.1 | Very low | 31.9 | Very low | 210 Ų | 210 | 144.3 Ų | 144.3 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | cis | -134.9 | -179.3 | 8.1 | -100.6 | -64 | 0 | 0 | 0 | 112.1 | ||||
| 304 | T | 32.3 | Very low | 32.2 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 68% | 0.681 | 75% | 0.749 | S | S | * | * | trans | -121.4 | 140.6 | -155.2 | 53.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 305 | S | 34.1 | Very low | 32.1 | Very low | 113 Ų | 113 | 146.3 Ų | 146.3 | 79% | 0.79 | 75% | 0.753 | S | S | * | * | trans | -171.2 | 110.8 | 138.7 | 40 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 306 | Q | 30.1 | Very low | 32.4 | Very low | 179 Ų | 179 | 142.1 Ų | 142.1 | 84% | 0.836 | 75% | 0.746 | S | S | * | * | 51.1 | 123.4 | 81.6 | -60.1 | -170.7 | 15 | 0 | 0 | 113 | |||||
| 307 | T | 33 | Very low | 32.4 | Very low | 124 Ų | 124 | 139.9 Ų | 139.9 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | cis | -132.4 | 149.8 | 19.2 | 40.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 308 | N | 29.8 | Very low | 32.4 | Very low | 115 Ų | 115 | 139.6 Ų | 139.6 | 62% | 0.615 | 74% | 0.736 | S | S | * | * | cis | 84.9 | 101.1 | 34.7 | -171.9 | 19.3 | 0 | 0 | 0 | 115.4 | N310 | N308-N310 PolarHBondContact OD1-ND2 3.37Š| ||
| 309 | F | 31.7 | Very low | 32 | Very low | 189 Ų | 189 | 141.3 Ų | 141.3 | 83% | 0.829 | 75% | 0.745 | S | S | * | * | trans | -175.9 | 112 | 138.7 | -104.9 | -85.2 | 0 | 0 | 0 | 105.6 | ||||
| 310 | N | 33.7 | Very low | 32.2 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 51% | 0.513 | 73% | 0.732 | S | S | . | * | 62.3 | 136.8 | 77.4 | -66 | -40.1 | 0 | 0 | 0 | 113.2 | N308 | N308-N310 PolarHBondContact OD1-ND2 3.37Š| |||
| 311 | Q | 30.9 | Very low | 32.1 | Very low | 157 Ų | 157 | 141.1 Ų | 141.1 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | cis | -168 | -172.5 | 0.5 | -119.2 | 165 | 31.9 | 0 | 0 | 110.1 | ||||
| 312 | I | 35.2 | Very low | 32 | Very low | 151 Ų | 151 | 138.1 Ų | 138.1 | 77% | 0.774 | 74% | 0.735 | S | S | * | * | trans | 79.3 | 141.6 | 164.6 | -43.5 | 179.4 | 0 | 0 | 0 | 115.9 | ||||
| 313 | E | 29.3 | Very low | 31.4 | Very low | 145 Ų | 145 | 139.2 Ų | 139.2 | 68% | 0.678 | 74% | 0.74 | S | S | * | * | cis | -172.7 | 169.7 | -40.1 | -155 | 173.6 | 133.6 | 0 | 0 | 106.7 | ||||
| 314 | H | 35.4 | Very low | 31.1 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | 67.6 | 126.1 | 171.6 | -42.2 | -52.2 | 0 | 0 | 0 | 115.5 | ||||
| 315 | K | 30.7 | Very low | 30.9 | Very low | 193 Ų | 193 | 139.7 Ų | 139.7 | 84% | 0.839 | 74% | 0.741 | S | S | * | * | cis | 59.5 | 141.1 | 7.1 | -92.1 | -160.9 | 169 | -179.3 | 0 | 117.1 | ||||
| 316 | P | 34 | Very low | 30.8 | Very low | 114 Ų | 114 | 138.9 Ų | 138.9 | 74% | 0.74 | 74% | 0.741 | S | S | * | * | cis | -139.2 | -142 | -25.7 | 41.1 | -20.8 | 0 | 0 | 0 | 111 | ||||
| 317 | A | 29.8 | Very low | 30.7 | Very low | 72 Ų | 72 | 139.3 Ų | 139.3 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | 85.9 | 127.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 318 | Q | 28.2 | Very low | 30.7 | Very low | 184 Ų | 184 | 140 Ų | 140 | 86% | 0.86 | 75% | 0.747 | S | S | * | * | 69.8 | 139.8 | 91.9 | -62 | 169.2 | -9.8 | 0 | 0 | 112.4 | |||||
| 319 | V | 29.8 | Very low | 30.8 | Very low | 132 Ų | 132 | 141 Ų | 141 | 80% | 0.8 | 75% | 0.753 | S | S | * | * | -156.9 | 144.2 | 65.4 | 157.1 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 320 | A | 32.5 | Very low | 30.7 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 63% | 0.628 | 75% | 0.746 | S | S | * | * | trans | 20.8 | 145.5 | 148.2 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 321 | H | 28.9 | Very low | 30.7 | Very low | 186 Ų | 186 | 139.9 Ų | 139.9 | 86% | 0.861 | 76% | 0.755 | S | S | * | * | cis | 61.6 | 85.9 | 46.7 | -72.8 | -79.6 | 0 | 0 | 0 | 116.6 | ||||
| 322 | S | 29.6 | Very low | 30.9 | Very low | 104 Ų | 104 | 139.6 Ų | 139.6 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | -174.1 | 127.5 | 144.2 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 323 | T | 27.1 | Very low | 30.8 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 75% | 0.748 | 75% | 0.754 | S | S | * | * | cis | 79.5 | 90 | 41.6 | -52 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 324 | W | 27.7 | Very low | 31 | Very low | 242 Ų | 242 | 139.1 Ų | 139.1 | 92% | 0.917 | 76% | 0.76 | S | S | * | * | trans | -151.2 | 115.7 | 150.9 | -84.8 | 86.1 | 0 | 0 | 0 | 106.3 | ||||
| 325 | S | 27.2 | Very low | 31.2 | Very low | 89 Ų | 89 | 138 Ų | 138 | 62% | 0.622 | 76% | 0.76 | S | S | * | * | cis | 97.5 | 81 | 25.9 | 84.2 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 326 | A | 32.5 | Very low | 31.4 | Very low | 95 Ų | 95 | 133.6 Ų | 133.6 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -159.5 | 119.4 | 154.2 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 327 | Q | 27.2 | Very low | 31.5 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | cis | 62.1 | 82.2 | 33.8 | -75 | -167.5 | -23 | 0 | 0 | 115.5 | ||||
| 328 | T | 33.5 | Very low | 31.8 | Very low | 139 Ų | 139 | 138.7 Ų | 138.7 | 85% | 0.853 | 76% | 0.755 | S | S | * | * | -172.1 | 114 | 126.8 | 35.8 | 0 | 0 | 0 | 0 | 106.5 | |||||
| 329 | N | 31.9 | Very low | 32.4 | Very low | 135 Ų | 135 | 139.4 Ų | 139.4 | 72% | 0.722 | 76% | 0.755 | S | S | * | * | 79.8 | 96.5 | 52.1 | -159.5 | 17.4 | 0 | 0 | 0 | 113.9 | |||||
| 330 | N | 30.7 | Very low | 32.6 | Very low | 129 Ų | 129 | 140.2 Ų | 140.2 | 69% | 0.69 | 75% | 0.75 | S | S | * | * | trans | 53.9 | 147.1 | 150 | -68 | -14.7 | 0 | 0 | 0 | 123.2 | ||||
| 331 | N | 32.8 | Very low | 32.7 | Very low | 133 Ų | 133 | 144 Ų | 144 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | trans | 71.2 | 150.7 | 154 | -64.8 | -22.4 | 0 | 0 | 0 | 117.3 | ||||
| 332 | Q | 34.5 | Very low | 33.1 | Very low | 151 Ų | 151 | 140.8 Ų | 140.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | cis | -163.2 | 139.2 | -8.4 | -114.1 | 167.7 | 27.9 | 0 | 0 | 110.9 | ||||
| 333 | V | 33.2 | Very low | 33.2 | Very low | 126 Ų | 126 | 144.9 Ų | 144.9 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | 66.5 | 165.1 | 136.9 | -176.7 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 334 | I | 34.5 | Very low | 33.4 | Very low | 160 Ų | 160 | 145.9 Ų | 145.9 | 82% | 0.821 | 74% | 0.737 | S | S | * | * | trans | 73 | 132.2 | 174.9 | -41.6 | -174.5 | 0 | 0 | 0 | 115.9 | ||||
| 335 | D | 39.8 | Very low | 33.7 | Very low | 128 Ų | 128 | 142.4 Ų | 142.4 | 68% | 0.684 | 73% | 0.731 | S | S | * | * | cis | 167.3 | 143.8 | -30.6 | 176.5 | 40.2 | 0 | 0 | 0 | 107.2 | ||||
| 336 | N | 35 | Very low | 34 | Very low | 101 Ų | 101 | 146.1 Ų | 146.1 | 54% | 0.54 | 74% | 0.739 | S | S | . | * | trans | 59.4 | 136.5 | 153.1 | -92.2 | -49.5 | 0 | 0 | 0 | 126.1 | ||||
| 337 | R | 34.7 | Very low | 34.1 | Very low | 225 Ų | 225 | 150.3 Ų | 150.3 | 85% | 0.849 | 74% | 0.742 | S | S | * | * | trans | 77.7 | 113.8 | 135.7 | -68.8 | 162.3 | -165.9 | -166.3 | 0.5 | 122.9 | ||||
| 338 | G | 37.4 | Very low | 34.3 | Very low | 67 Ų | 67 | 150.1 Ų | 150.1 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | trans | 168.9 | 104.3 | 151.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 339 | K | 40.5 | Very low | 34.3 | Very low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 74% | 0.736 | S | S | * | * | 53.9 | 137.6 | 84.2 | -72.6 | -170.6 | 177.4 | -175.1 | 0 | 114.3 | |||||
| 340 | Q | 33.3 | Very low | 34.3 | Very low | 149 Ų | 149 | 148.3 Ų | 148.3 | 70% | 0.696 | 74% | 0.737 | S | S | * | * | cis | 175.4 | 157.1 | -21.6 | -130.3 | -175.5 | 15.9 | 0 | 0 | 107.5 | ||||
| 341 | Q | 35.6 | Very low | 34.1 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 73% | 0.729 | 74% | 0.744 | S | S | * | * | trans | 67.6 | 160.6 | 161.7 | -58.8 | 168.4 | 41.4 | 0 | 0 | 116 | ||||
| 342 | H | 37 | Very low | 33.9 | Very low | 119 Ų | 119 | 149.8 Ų | 149.8 | 55% | 0.551 | 74% | 0.743 | S | S | * | * | cis | -159 | 157.6 | -14.6 | -130.6 | -80.5 | 0 | 0 | 0 | 105.4 | ||||
| 343 | Y | 31 | Very low | 33.7 | Very low | 190 Ų | 190 | 152.7 Ų | 152.7 | 75% | 0.745 | 75% | 0.749 | S | S | * | * | cis | -127.4 | 172 | 6.1 | -78 | -101.4 | 0 | 0 | 0 | 108.7 | ||||
| 344 | Q | 31.9 | Very low | 33.3 | Very low | 143 Ų | 143 | 154.9 Ų | 154.9 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | 88.6 | 87.8 | 15.5 | -167.6 | -166.7 | 41.4 | 0 | 0 | 117.9 | ||||
| 345 | Q | 33.9 | Very low | 33 | Very low | 168 Ų | 168 | 155.8 Ų | 155.8 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 176.8 | 138.1 | 141.7 | -104.9 | -171 | 74 | 0 | 0 | 109 | ||||
| 346 | Q | 33.7 | Very low | 32.5 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | cis | -134.3 | 158.9 | -1.2 | -66.6 | 175.2 | 0.5 | 0 | 0 | 110.9 | ||||
| 347 | Q | 33.3 | Very low | 32.2 | Very low | 182 Ų | 182 | 160 Ų | 160 | 85% | 0.85 | 77% | 0.774 | S | S | * | * | trans | -142.1 | 151.7 | 164.6 | -61.4 | 177.3 | 12.6 | 0 | 0 | 108.1 | ||||
| 348 | Q | 32.1 | Very low | 31.8 | Very low | 185 Ų | 185 | 155 Ų | 155 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -163 | 132.2 | 144.3 | -78.8 | -143.8 | 39.3 | 0 | 0 | 111.5 | ||||
| 349 | P | 32.8 | Very low | 31.5 | Very low | 115 Ų | 115 | 158.4 Ų | 158.4 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | trans | -120.1 | 146.7 | 169.8 | 38.4 | -27.8 | 0 | 0 | 0 | 114.2 | ||||
| 350 | V | 32.3 | Very low | 31 | Very low | 120 Ų | 120 | 156.5 Ų | 156.5 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -148.4 | 118.6 | 170.6 | -163.9 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 351 | Q | 26.9 | Very low | 30.8 | Very low | 183 Ų | 183 | 156 Ų | 156 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | 66.3 | 151.4 | 65.4 | -71.5 | -157.5 | 1.2 | 0 | 0 | 115.8 | |||||
| 352 | T | 29.3 | Very low | 30.4 | Very low | 111 Ų | 111 | 154.6 Ų | 154.6 | 68% | 0.681 | 76% | 0.764 | S | S | * | * | trans | 68.3 | 135.1 | -171.1 | 3.3 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 353 | Y | 28.9 | Very low | 30.2 | Very low | 211 Ų | 211 | 155.9 Ų | 155.9 | 83% | 0.827 | 78% | 0.78 | S | S | * | * | cis | -130.2 | 149.1 | 14.7 | -79.3 | -98.5 | 0 | 0 | 0 | 114.1 | ||||
| 354 | Q | 25.6 | Very low | 30.1 | Very low | 173 Ų | 173 | 154.3 Ų | 154.3 | 81% | 0.808 | 78% | 0.78 | S | S | * | * | trans | -110.8 | 171.1 | 148 | -79.6 | -171.8 | -12 | 0 | 0 | 108.7 | ||||
| 355 | Q | 27.6 | Very low | 30.1 | Very low | 178 Ų | 178 | 154.1 Ų | 154.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | 70.6 | 95.6 | 171.6 | -51.6 | -177.5 | 14.3 | 0 | 0 | 117 | ||||
| 356 | V | 30.2 | Very low | 29.9 | Very low | 149 Ų | 149 | 152 Ų | 152 | 90% | 0.903 | 78% | 0.782 | S | S | * | * | trans | -131.6 | 123.8 | 130.8 | -179.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 357 | Q | 28.5 | Very low | 29.9 | Very low | 168 Ų | 168 | 152 Ų | 152 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -96 | 150.4 | 171.8 | -72.5 | 178 | -26.9 | 0 | 0 | 110.3 | ||||
| 358 | T | 25.5 | Very low | 30.2 | Very low | 122 Ų | 122 | 149 Ų | 149 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 44.8 | 94.6 | 150.9 | 55.8 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 359 | N | 31.5 | Very low | 30.2 | Very low | 138 Ų | 138 | 145.4 Ų | 145.4 | 74% | 0.738 | 78% | 0.776 | S | S | * | * | -168.3 | 114.9 | 129 | -91.3 | -33.6 | 0 | 0 | 0 | 108 | |||||
| 360 | Q | 30.9 | Very low | 30 | Very low | 159 Ų | 159 | 147.1 Ų | 147.1 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 86.4 | 124.5 | 68.7 | -81.6 | -162.6 | 93.9 | 0 | 0 | 114.4 | |||||
| 361 | L | 28.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 147.9 Ų | 147.9 | 73% | 0.728 | 78% | 0.782 | S | S | * | * | trans | 73.4 | 111.5 | 155.7 | -73.5 | 158 | 0 | 0 | 0 | 121 | ||||
| 362 | N | 27.3 | Very low | 30 | Very low | 125 Ų | 125 | 144.4 Ų | 144.4 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | 52.9 | 106.1 | 136.9 | -67.1 | -4 | 0 | 0 | 0 | 120.9 | ||||
| 363 | T | 33.2 | Very low | 30.3 | Very low | 146 Ų | 146 | 144.6 Ų | 144.6 | 90% | 0.896 | 78% | 0.783 | S | S | * | * | -129.4 | 123.7 | 116 | 47.1 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 364 | Q | 28.4 | Very low | 30.4 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 79% | 0.787 | S | S | * | * | trans | -81.6 | 148.5 | 169 | -62.8 | 163.6 | -44.9 | 0 | 0 | 109.2 | ||||
| 365 | N | 31.5 | Very low | 30.6 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | 179.4 | 119.6 | 113.4 | -91.8 | -29.2 | 0 | 0 | 0 | 115.1 | |||||
| 366 | T | 30.3 | Very low | 31 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 40.6 | 103.7 | 141.4 | 57.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 367 | L | 32.6 | Very low | 31 | Very low | 170 Ų | 170 | 139.8 Ų | 139.8 | 89% | 0.89 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | -86.6 | 149.1 | 128.8 | -76 | 167.2 | 0 | 0 | 0 | 109.1 | |||
| 368 | P | 40.5 | Very low | 31.5 | Very low | 118 Ų | 118 | 140.4 Ų | 140.4 | 77% | 0.766 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -85.1 | 146.8 | -171.8 | 33 | -35.5 | 0 | 0 | 0 | 113.9 | ||
| 369 | P | 31.5 | Very low | 31.7 | Very low | 110 Ų | 110 | 142.6 Ų | 142.6 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -101.3 | 159.4 | 178.6 | 38.6 | -35 | 0 | 0 | 0 | 114.8 | ||
| 370 | I | 28.6 | Very low | 31.6 | Very low | 150 Ų | 150 | 142.2 Ų | 142.2 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 38.9 | 119.8 | 141.3 | -54 | 163.9 | 0 | 0 | 0 | 118.7 | ||||
| 371 | V | 31.8 | Very low | 31.7 | Very low | 137 Ų | 137 | 140.1 Ų | 140.1 | 83% | 0.83 | 79% | 0.785 | S | S | * | * | trans | -136.1 | 116.2 | 130.9 | -179.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 372 | S | 27.6 | Very low | 31.9 | Very low | 110 Ų | 110 | 144.5 Ų | 144.5 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -101.1 | 132.2 | 157.5 | -52 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 373 | S | 36.8 | Very low | 31.9 | Very low | 114 Ų | 114 | 150 Ų | 150 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -121.4 | 116.5 | 177.3 | 58.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 374 | Q | 30.3 | Very low | 31.8 | Very low | 196 Ų | 196 | 152.8 Ų | 152.8 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | trans | -82.5 | 152 | 179.1 | -61 | 170 | -60.8 | 0 | 0 | 111.8 | ||||
| 375 | G | 30.6 | Very low | 31.9 | Very low | 65 Ų | 65 | 150.9 Ų | 150.9 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 74.9 | 123.6 | 140 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 376 | F | 34.4 | Very low | 32 | Very low | 201 Ų | 201 | 150.7 Ų | 150.7 | 88% | 0.882 | 81% | 0.814 | S | S | * | * | -153.1 | 118.1 | 113.3 | -118.8 | -74.6 | 0 | 0 | 0 | 110.3 | |||||
| 377 | D | 31.6 | Very low | 32 | Very low | 149 Ų | 149 | 148.4 Ų | 148.4 | 80% | 0.797 | 82% | 0.815 | S | S | * | * | trans | -71.3 | 140 | 168.1 | -96.1 | -65.6 | 0 | 0 | 0 | 110.6 | ||||
| 378 | Q | 37.8 | Very low | 32.2 | Very low | 180 Ų | 180 | 147.2 Ų | 147.2 | 84% | 0.841 | 81% | 0.81 | S | S | * | * | trans | -155.1 | 130.8 | 141.9 | -126.4 | 156.7 | 110.6 | 0 | 0 | 113.3 | ||||
| 379 | Q | 30 | Very low | 31.7 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 81% | 0.813 | S | S | * | * | trans | -64.7 | 166.7 | 162.4 | -56.3 | 153.1 | 7 | 0 | 0 | 108.2 | ||||
| 380 | V | 30.3 | Very low | 31.7 | Very low | 130 Ų | 130 | 150.3 Ų | 150.3 | 79% | 0.788 | 82% | 0.817 | S | S | * | * | cis | -157.8 | -153.6 | 26.9 | -137.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 381 | P | 32.5 | Very low | 31.9 | Very low | 115 Ų | 115 | 152.3 Ų | 152.3 | 75% | 0.747 | 82% | 0.82 | S | S | * | * | -104.8 | -178.2 | -79.8 | 33.8 | -16.2 | 0 | 0 | 0 | 113.4 | |||||
| 382 | R | 33.2 | Very low | 31.8 | Very low | 231 Ų | 231 | 155.3 Ų | 155.3 | 87% | 0.872 | 83% | 0.825 | S | S | * | * | trans | -61.6 | 142.5 | 166.1 | -51.6 | -175.5 | -162.6 | -167.2 | 5.3 | 111.5 | ||||
| 383 | R | 26.4 | Very low | 32.3 | Very low | 242 Ų | 242 | 157.5 Ų | 157.5 | 91% | 0.913 | 83% | 0.826 | S | S | * | * | trans | -158.7 | 126.5 | 141.3 | -109.1 | 175.4 | -164.1 | -156.5 | 2.9 | 110.7 | ||||
| 384 | F | 31.1 | Very low | 31.9 | Very low | 203 Ų | 203 | 161.6 Ų | 161.6 | 89% | 0.89 | 83% | 0.83 | S | S | * | * | trans | -80.2 | 138.3 | 162.3 | -72.1 | -91.8 | 0 | 0 | 0 | 109.4 | ||||
| 385 | P | 31.6 | Very low | 32.1 | Very low | 119 Ų | 119 | 158.1 Ų | 158.1 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -123.2 | 116.3 | 150.1 | 32.9 | -20.4 | 0 | 0 | 0 | 110.3 | G387 | P385-G387 PolarHBondContact O-N 3.14Š| ||
| 386 | S | 32.5 | Very low | 32.1 | Very low | 133 Ų | 133 | 164.4 Ų | 164.4 | 93% | 0.93 | 83% | 0.831 | S | S | * | * | trans | -64.7 | 124.9 | 165.1 | -54.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 387 | G | 30.5 | Very low | 31.9 | Very low | 75 Ų | 75 | 159.9 Ų | 159.9 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | -168.6 | 98 | -177 | 0 | 0 | 0 | 0 | 0 | 112.2 | P385 Q389 | P385-G387 PolarHBondContact O-N 3.14Å; G387-Q389 PolarHBondContact O-N 3.16Å | ||
| 388 | D | 36 | Very low | 32.1 | Very low | 146 Ų | 146 | 160.2 Ų | 160.2 | 78% | 0.781 | 83% | 0.825 | S | S | * | * | trans | -69.5 | 124.3 | 173.5 | 177.4 | 20.5 | 0 | 0 | 0 | 111 | ||||
| 389 | Q | 31.7 | Very low | 31.7 | Very low | 179 Ų | 179 | 157.4 Ų | 157.4 | 84% | 0.836 | 82% | 0.822 | S | S | * | * | trans | -165.3 | 128.5 | 143.5 | -112.2 | 149.2 | 98.9 | 0 | 0 | 113.1 | G387 | G387-Q389 PolarHBondContact O-N 3.16Š| ||
| 390 | S | 31.2 | Very low | 31.6 | Very low | 114 Ų | 114 | 158.1 Ų | 158.1 | 80% | 0.797 | 83% | 0.827 | S | S | * | * | trans | -69.2 | 125.5 | 179.5 | 48.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 391 | K | 32.5 | Very low | 31.8 | Very low | 192 Ų | 192 | 163 Ų | 163 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | -136.9 | 122.2 | 161.5 | -70.6 | -171.2 | 178.9 | 175 | 0 | 110.6 | I393 | K391-I393 PolarHBondContact O-N 3.15Š| ||
| 392 | Q | 28.7 | Very low | 31.7 | Very low | 200 Ų | 200 | 163.8 Ų | 163.8 | 94% | 0.935 | 83% | 0.83 | S | S | * | * | trans | -70.8 | 118.8 | -179.4 | -65.8 | 175.5 | -10.7 | 0 | 0 | 110.8 | ||||
| 393 | I | 38.3 | Very low | 31.6 | Very low | 155 Ų | 155 | 158.5 Ų | 158.5 | 80% | 0.795 | 83% | 0.828 | S | S | * | * | trans | -95.4 | 112.6 | 167.9 | -63.4 | -178.4 | 0 | 0 | 0 | 108.7 | K391 V395 | K391-I393 PolarHBondContact O-N 3.15Å; I393-V395 PolarHBondContact O-N 2.84Å | ||
| 394 | K | 27.9 | Very low | 32 | Very low | 201 Ų | 201 | 152 Ų | 152 | 87% | 0.874 | 82% | 0.815 | S | S | * | * | trans | -84.1 | 74.5 | -170.2 | -167.9 | 171.9 | -176.2 | 171.4 | 0 | 111.5 | K396 | K394-K396 PolarHBondContact O-N 3.49Š| ||
| 395 | V | 35.9 | Very low | 31.9 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 74% | 0.739 | 80% | 0.804 | S | S | * | * | trans | -58.6 | 127.8 | 170.1 | -178.3 | 0 | 0 | 0 | 0 | 108.6 | I393 S397 | I393-V395 PolarHBondContact O-N 2.84Å; V395-S397 PolarHBondContact O-N 2.76Å | ||
| 396 | K | 30.5 | Very low | 32.4 | Very low | 198 Ų | 198 | 147.9 Ų | 147.9 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -72.5 | 96.8 | 177.5 | -73.6 | 179.4 | 177.9 | 175.2 | 0 | 109.3 | K394 | K394-K396 PolarHBondContact O-N 3.49Š| ||
| 397 | S | 30.1 | Very low | 32.4 | Very low | 105 Ų | 105 | 148.5 Ų | 148.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -59.7 | 136.5 | 167.2 | 42 | 0 | 0 | 0 | 0 | 110.5 | V395 | V395-S397 PolarHBondContact O-N 2.76Š| ||
| 398 | L | 34.5 | Very low | 32.6 | Very low | 157 Ų | 157 | 147.5 Ų | 147.5 | 82% | 0.822 | 78% | 0.784 | S | S | * | * | trans | -57.9 | 142.8 | 162.3 | -73.1 | 154.8 | 0 | 0 | 0 | 108.3 | M400 | L398-M400 PolarHBondContact O-N 3.07Š| ||
| 399 | P | 30.6 | Very low | 32.8 | Very low | 120 Ų | 120 | 147.5 Ų | 147.5 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | -69.4 | 97.4 | -172.4 | 27.5 | -34.5 | 0 | 0 | 0 | 111 | R401 | P399-R401 VanDerWaalsContact C-N 3.3Å; P399-R401 PolarHBondContact O-N 2.99Å | ||
| 400 | M | 28.4 | Very low | 33.9 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | -63.9 | 93.3 | 166.4 | -67.1 | -161.3 | 79.4 | 0 | 0 | 108.6 | L398 N402 | L398-M400 PolarHBondContact O-N 3.07Å; M400-N402 PolarHBondContact O-N 2.7Å | ||
| 401 | R | 33.6 | Very low | 35.1 | Very low | 232 Ų | 232 | 143.6 Ų | 143.6 | 88% | 0.875 | 77% | 0.766 | S | S | * | * | trans | -78.9 | 91.7 | -169.9 | -165.1 | 175 | -168.8 | 166.7 | 2.8 | 110.5 | P399 | P399-R401 VanDerWaalsContact C-N 3.3Å; P399-R401 PolarHBondContact O-N 2.99Å | ||
| 402 | N | 31 | Very low | 36.8 | Very low | 132 Ų | 132 | 139.1 Ų | 139.1 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | 57.8 | 91.4 | 174.5 | -61.9 | 11.3 | 0 | 0 | 0 | 114.5 | M400 V404 | M400-N402 PolarHBondContact O-N 2.7Å; N402-V404 HydrophobicContact CB-CG2 4Å; N402-V404 PolarHBondContact O-N 3.47Å | ||
| 403 | S | 31 | Very low | 39.2 | Very low | 121 Ų | 121 | 130.5 Ų | 130.5 | 85% | 0.846 | 72% | 0.724 | S | S | * | * | trans | -64.8 | 80.4 | 148.3 | 54.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 404 | V | 33.5 | Very low | 41.5 | Very low | 104 Ų | 104 | 127 Ų | 127 | 63% | 0.63 | 71% | 0.711 | S | S | * | * | trans | -69.3 | 126.7 | 164.8 | -175.8 | 0 | 0 | 0 | 0 | 107.1 | N402 I406 | N402-V404 HydrophobicContact CB-CG2 4Å; N402-V404 PolarHBondContact O-N 3.47Å; V404-I406 PolarHBondContact O-N 3.01Å; V404-I406 VanDerWaalsContact O-N 3.14Å | ||
| 405 | S | 29.8 | Very low | 44.5 | Very low | 93 Ų | 93 | 117.7 Ų | 117.7 | 65% | 0.65 | 67% | 0.671 | S | S | * | * | trans | -68 | 106.5 | 169.1 | 45.7 | 0 | 0 | 0 | 0 | 109 | D407 | S405-D407 VanDerWaalsContact C-N 3.28Å; S405-D407 WeakPolarHBondContact CB-OD2 3.36Å; S405-D407 PolarHBondContact O-N 2.65Å | ||
| 406 | I | 42.2 | Very low | 47.1 | Very low | 143 Ų | 143 | 118 Ų | 118 | 73% | 0.733 | 67% | 0.665 | S | S | * | * | trans | -88.3 | 76 | 171.5 | -55.2 | -179.9 | 0 | 0 | 0 | 107.3 | V404 G408 | V404-I406 PolarHBondContact O-N 3.01Å; V404-I406 VanDerWaalsContact O-N 3.14Å; I406-G408 PolarHBondContact O-N 2.92Å | ||
| 407 | D | 31.8 | Very low | 50.1 | Low | 147 Ų | 147 | 109 Ų | 109 | 79% | 0.786 | 63% | 0.626 | S | S | * | * | trans | -82.4 | 102.9 | 169.4 | -69.6 | -62.8 | 0 | 0 | 0 | 109.1 | S405 | S405-D407 VanDerWaalsContact C-N 3.28Å; S405-D407 WeakPolarHBondContact CB-OD2 3.36Å; S405-D407 PolarHBondContact O-N 2.65Å | ||
| 408 | G | 34.4 | Very low | 53 | Low | 54 Ų | 54 | 107 Ų | 107 | 56% | 0.557 | 61% | 0.609 | S | S | * | * | S | Bend | trans | 89.4 | 156.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | I406 | I406-G408 PolarHBondContact O-N 2.92Š|
| 409 | I | 40.5 | Very low | 55.7 | Low | 145 Ų | 145 | 103 Ų | 103 | 74% | 0.744 | 59% | 0.591 | S | S | * | * | S | Bend | trans | 66.4 | 100.8 | 176.9 | -46.1 | 165.2 | 0 | 0 | 0 | 111.2 | ||
| 410 | D | 55.3 | Low | 58.6 | Low | 117 Ų | 117 | 101.5 Ų | 101.5 | 63% | 0.626 | 57% | 0.573 | S | S | * | * | cis | -141 | 106.4 | 27.7 | -62.8 | -66.5 | 0 | 0 | 0 | 112.3 | P441 | D410-P441 WeakPolarHBondContact O-CB 3.25Š| ||
| 411 | S | 56.5 | Low | 61.6 | Low | 94 Ų | 94 | 93.1 Ų | 93.1 | 66% | 0.657 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -94.3 | 4.6 | 171.1 | -50.2 | 0 | 0 | 0 | 0 | 113.5 | ||
| 412 | S | 67.4 | Low | 64.2 | Low | 99 Ų | 99 | 86.6 Ų | 86.6 | 69% | 0.692 | 52% | 0.518 | S | S | * | . | trans | -138.5 | 114.9 | -165.3 | 175 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 413 | G | 79.6 | Confident | 66.8 | Low | 19 Ų | 19 | 82.7 Ų | 82.7 | 20% | 0.196 | 51% | 0.509 | C | S | . | . | S | Bend | trans | 167.1 | 164.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | N494 | G413-N494 PolarHBondContact O-ND2 2.92Š|
| 414 | P | 86.8 | Confident | 69.6 | Low | 80 Ų | 80 | 82.6 Ų | 82.6 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | S | Bend | trans | -58.9 | 159.6 | 164 | 29.7 | -35.7 | 0 | 0 | 0 | 109.9 | ||
| 415 | P | 90.8 | Very high | 72.3 | Confident | 6 Ų | 6 | 79.4 Ų | 79.4 | 4% | 0.039 | 47% | 0.474 | C | S | . | . | trans | -64.3 | 146.8 | 174.5 | 30.5 | -32.5 | 0 | 0 | 0 | 109.3 | V439 R440 L447 A492 N494 G497 D499 | P415-V439 HydrophobicContact CB-CG2 3.92Å; P415-R440 CarbonylContact C-O 3.56Å; P415-R440 VanDerWaalsContact CA-O 3.29Å; P415-R440 WeakPolarHBondContact CA-O 3.35Å; P415-L447 HydrophobicContact CB-CD1 3.91Å; P415-A492 HydrophobicContact CB-CB 3.99Å; P415-A492 WeakPolarHBondContact CG-O 3.28Å; P415-N494 WeakPolarHBondContact CD-OD1 3.3Å; P415-G497 VanDerWaalsContact CD-C 3.42Å; P415-G497 WeakPolarHBondContact CD-O 3.26Å; P415-G497 WeakPolarHBondContact CG-O 3.48Å; P415-D499 HydrophobicContact CB-CB 4.29Å; P415-D499 HydrophobicContact CG-CB 4Å; P415-D499 VanDerWaalsContact O-CB 3.29Å; P415-D499 WeakPolarHBondContact O-CB 3.38Å | ||
| 416 | Q | 91.6 | Very high | 75.1 | Confident | 130 Ų | 130 | 78.5 Ų | 78.5 | 61% | 0.607 | 47% | 0.465 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 121.6 | 174.3 | -174.6 | 177.5 | 39.7 | 0 | 0 | 110 | V418 V439 R440 D499 | Q416-V418 PolarHBondContact O-N 2.89Å; Q416-V439 CarbonylContact O-C 3.55Å; Q416-V439 WeakPolarHBondContact O-CA 3.33Å; Q416-R440 PolarHBondContact N-O 2.85Å; Q416-R440 PolarHBondContact O-N 2.86Å; Q416-D499 VanDerWaalsContact CA-OD2 3.3Å; Q416-D499 WeakPolarHBondContact CA-OD2 3.28Å |
| 417 | F | 91.5 | Very high | 77.4 | Confident | 9 Ų | 9 | 73.2 Ų | 73.2 | 4% | 0.039 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 116.7 | 168.5 | -74.6 | -76.4 | 0 | 0 | 0 | 110.7 | H420 A437 R438 V439 C490 A492 D499 S501 | F417-H420 VanDerWaalsContact CB-CE1 3.45Å; F417-H420 WeakPolarHBondContact CB-CE1 3.46Å; F417-H420 VanDerWaalsContact CB-ND1 3.29Å; F417-H420 WeakPolarHBondContact CB-ND1 3.32Å; F417-A437 HydrophobicContact CD1-CB 4.03Å; F417-A437 HydrophobicContact CE1-CB 3.84Å; F417-R438 CarbonylContact C-O 3.47Å; F417-R438 WeakPolarHBondContact CA-O 3.42Å; F417-V439 HydrophobicContact CD1-CB 4.08Å; F417-V439 HydrophobicContact CE1-CB 4.06Å; F417-C490 WeakPolarHBondContact CE1-SG 3.44Å; F417-C490 WeakPolarHBondContact CE2-O 3.41Å; F417-C490 HydrophobicContact CZ-CB 4.3Å; F417-C490 WeakPolarHBondContact CZ-O 3.23Å; F417-C490 WeakPolarHBondContact CZ-SG 3.28Å; F417-A492 HydrophobicContact CE2-CB 3.79Å; F417-A492 HydrophobicContact CZ-CB 3.66Å; F417-D499 HydrophobicContact CD2-CB 4.38Å; F417-D499 WeakPolarHBondContact CD2-OD2 3.09Å; F417-D499 PolarHBondContact N-OD2 2.85Å; F417-S501 VanDerWaalsContact CE2-N 3.35Å |
| 418 | V | 91.6 | Very high | 80 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 38% | 0.376 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | -25.6 | 175.5 | -176.7 | 0 | 0 | 0 | 0 | 110.9 | Q416 R438 R440 | Q416-V418 PolarHBondContact O-N 2.89Å; V418-R438 PolarHBondContact N-O 2.98Å; V418-R440 HydrophobicContact CG2-CB 4.04Å; V418-R440 HydrophobicContact CG2-CG 3.76Å |
| 419 | V | 91 | Very high | 82.5 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 44% | 0.442 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 123.6 | 166.5 | -175.2 | 0 | 0 | 0 | 0 | 106.6 | A437 R438 | V419-A437 CarbonylContact O-C 3.45Å; V419-A437 WeakPolarHBondContact O-CA 3.3Å; V419-R438 HydrophobicContact CB-CB 3.74Å; V419-R438 HydrophobicContact CG2-CB 3.92Å; V419-R438 PolarHBondContact N-O 3.37Å; V419-R438 PolarHBondContact O-N 2.96Å |
| 420 | H | 92.8 | Very high | 84.6 | Confident | 89 Ų | 89 | 63.5 Ų | 63.5 | 41% | 0.412 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -93.7 | 164.2 | 171.9 | -48.5 | -83.4 | 0 | 0 | 0 | 110.1 | F417 S502 | F417-H420 VanDerWaalsContact CB-CE1 3.45Å; F417-H420 WeakPolarHBondContact CB-CE1 3.46Å; F417-H420 VanDerWaalsContact CB-ND1 3.29Å; F417-H420 WeakPolarHBondContact CB-ND1 3.32Å; H420-S502 WeakPolarHBondContact CB-OG 3.32Å |
| 421 | P | 89.7 | Confident | 86.2 | Confident | 6 Ų | 6 | 63.5 Ų | 63.5 | 4% | 0.039 | 39% | 0.387 | C | S | . | . | P | Polyproline II helix | trans | -50.1 | 154.6 | 167.9 | -30.2 | 39.1 | 0 | 0 | 0 | 114 | G423 I435 T436 A437 W451 S501 C504 | P421-G423 PolarHBondContact O-N 3.05Å; P421-I435 HydrophobicContact CB-CG2 3.69Å; P421-I435 HydrophobicContact CG-CG2 4.09Å; P421-T436 WeakPolarHBondContact CA-O 3.46Å; P421-A437 HydrophobicContact CG-CB 4.2Å; P421-W451 HydrophobicContact CG-CH2 4.42Å; P421-W451 HydrophobicContact CG-CZ3 4.36Å; P421-S501 VanDerWaalsContact CD-CB 3.44Å; P421-S501 WeakPolarHBondContact CD-OG 3.14Å; P421-C504 HydrophobicContact CB-CB 3.71Å |
| 422 | V | 88.5 | Confident | 87.9 | Confident | 96 Ų | 96 | 62.8 Ų | 62.8 | 58% | 0.582 | 38% | 0.38 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 126 | 171.6 | -172.9 | 0 | 0 | 0 | 0 | 108.6 | Q424 C504 | V422-Q424 WeakPolarHBondContact CG1-O 3.09Å; V422-Q424 PolarHBondContact O-N 2.76Å; V422-Q424 VanDerWaalsContact O-N 3.11Å; V422-C504 VanDerWaalsContact O-CA 3.25Å; V422-C504 WeakPolarHBondContact O-CA 3.27Å; V422-C504 WeakPolarHBondContact O-CB 3.09Å; V422-C504 PolarHBondContact O-SG 3.03Å |
| 423 | G | 86.4 | Confident | 89.1 | Confident | 49 Ų | 49 | 58.3 Ų | 58.3 | 51% | 0.505 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -60.9 | -25.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | P421 H505 | P421-G423 PolarHBondContact O-N 3.05Å; G423-H505 PolarHBondContact O-N 2.65Å |
| 424 | Q | 88.9 | Confident | 89.7 | Confident | 119 Ų | 119 | 61.9 Ų | 61.9 | 56% | 0.556 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 140.4 | 172.3 | -173.9 | 176 | 5.2 | 0 | 0 | 109.6 | V422 H505 | V422-Q424 WeakPolarHBondContact CG1-O 3.09Å; V422-Q424 PolarHBondContact O-N 2.76Å; V422-Q424 VanDerWaalsContact O-N 3.11Å; Q424-H505 CarbonylContact C-O 3.48Å; Q424-H505 WeakPolarHBondContact CA-O 3.44Å; Q424-H505 HydrophobicContact CG-CB 4.42Å; Q424-H505 WeakPolarHBondContact CG-O 3.45Å |
| 425 | L | 90.2 | Very high | 90 | Very high | 38 Ų | 38 | 58.3 Ų | 58.3 | 20% | 0.199 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 126.4 | 179.2 | -175.3 | 61.5 | 0 | 0 | 0 | 108.4 | I427 I435 H505 V506 T507 | L425-I427 HydrophobicContact CD1-CD1 3.94Å; L425-I427 HydrophobicContact CD1-CG1 4.22Å; L425-I427 HydrophobicContact CD2-CD1 3.76Å; L425-I427 HydrophobicContact CG-CD1 3.66Å; L425-I427 HydrophobicContact CG-CG1 4.04Å; L425-I435 HydrophobicContact CD2-CG1 4.18Å; L425-H505 PolarHBondContact N-O 2.75Å; L425-V506 HydrophobicContact CB-CG2 4.37Å; L425-V506 HydrophobicContact CD2-CG2 4.43Å; L425-V506 WeakPolarHBondContact O-CA 3.16Å; L425-T507 PolarHBondContact O-N 3.41Å |
| 426 | T | 90.5 | Very high | 90.2 | Very high | 74 Ų | 74 | 61 Ų | 61 | 45% | 0.454 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 120 | -179.2 | -56 | 0 | 0 | 0 | 0 | 110.2 | T507 I509 | T426-T507 VanDerWaalsContact CA-O 3.29Å; T426-T507 WeakPolarHBondContact CA-O 3.45Å; T426-I509 HydrophobicContact CG2-CD1 3.68Å; T426-I509 HydrophobicContact CG2-CG1 3.81Å |
| 427 | I | 89.3 | Confident | 90.3 | Very high | 31 Ų | 31 | 55 Ų | 55 | 16% | 0.159 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 150.3 | -168.7 | -62.7 | 178.4 | 0 | 0 | 0 | 108.6 | L425 E431 A433 M480 T507 I508 I509 | L425-I427 HydrophobicContact CD1-CD1 3.94Å; L425-I427 HydrophobicContact CD1-CG1 4.22Å; L425-I427 HydrophobicContact CD2-CD1 3.76Å; L425-I427 HydrophobicContact CG-CD1 3.66Å; L425-I427 HydrophobicContact CG-CG1 4.04Å; I427-E431 HydrophobicContact CG2-CB 3.6Å; I427-A433 HydrophobicContact CD1-CB 3.33Å; I427-M480 HydrophobicContact CB-CG 4.46Å; I427-M480 HydrophobicContact CG2-CG 3.97Å; I427-T507 PolarHBondContact N-O 3.15Å; I427-I508 WeakPolarHBondContact O-CA 3.38Å; I427-I509 PolarHBondContact O-N 2.82Å |
| 428 | A | 86.7 | Confident | 90.4 | Very high | 50 Ų | 50 | 58.1 Ų | 58.1 | 41% | 0.413 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 151.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | E431 I509 | A428-E431 HydrophobicContact CB-CG 4.3Å; A428-E431 PolarHBondContact O-N 3.06Å; A428-I509 WeakPolarHBondContact CA-O 3.49Å |
| 429 | E | 86.6 | Confident | 90.4 | Very high | 47 Ų | 47 | 55.2 Ų | 55.2 | 22% | 0.22 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | 142.3 | 171.6 | -173 | 156.8 | -138.4 | 0 | 0 | 111.6 | E431 E482 I508 I509 | E429-E431 VanDerWaalsContact C-N 3.28Å; E429-E431 PolarHBondContact O-N 2.94Å; E429-E482 PolarHBondContact OE1-N 3.08Å; E429-I508 HydrophobicContact CB-CG2 4.16Å; E429-I509 PolarHBondContact N-O 2.82Å |
| 430 | G | 84.6 | Confident | 90.4 | Very high | 46 Ų | 46 | 57.7 Ų | 57.7 | 47% | 0.474 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -22.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | Y479 M480 | G430-Y479 VanDerWaalsContact O-CB 3.25Å; G430-Y479 WeakPolarHBondContact O-CB 3.47Å; G430-M480 PolarHBondContact N-O 3.46Å |
| 431 | E | 89.3 | Confident | 90 | Very high | 116 Ų | 116 | 53.8 Ų | 53.8 | 54% | 0.542 | 31% | 0.307 | S | S | . | . | trans | -73.9 | 148.3 | 179.4 | -76.8 | -75.9 | 133.8 | 0 | 0 | 112.4 | I427 A428 E429 M480 | I427-E431 HydrophobicContact CG2-CB 3.6Å; A428-E431 HydrophobicContact CB-CG 4.3Å; A428-E431 PolarHBondContact O-N 3.06Å; E429-E431 VanDerWaalsContact C-N 3.28Å; E429-E431 PolarHBondContact O-N 2.94Å; E431-M480 WeakPolarHBondContact O-CB 3.45Å; E431-M480 VanDerWaalsContact O-CG 3.23Å; E431-M480 WeakPolarHBondContact O-CG 3.04Å; E431-M480 PolarHBondContact O-N 2.94Å | ||
| 432 | P | 91.6 | Very high | 89.4 | Confident | 79 Ų | 79 | 55.1 Ų | 55.1 | 51% | 0.513 | 32% | 0.318 | S | S | . | . | trans | -73.7 | 154.2 | 174.2 | 31.4 | -35.2 | 0 | 0 | 0 | 112 | F477 | P432-F477 WeakPolarHBondContact CA-O 3.21Å; P432-F477 WeakPolarHBondContact CB-O 3.2Å | ||
| 433 | A | 92.3 | Very high | 88.6 | Confident | 6 Ų | 6 | 53.6 Ų | 53.6 | 5% | 0.05 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 146 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112 | I427 F477 M480 | I427-A433 HydrophobicContact CD1-CB 3.33Å; A433-F477 HydrophobicContact CB-CB 4.21Å; A433-F477 HydrophobicContact CB-CD2 4.29Å; A433-F477 PolarHBondContact N-O 2.94Å; A433-F477 VanDerWaalsContact N-O 3.12Å; A433-F477 PolarHBondContact O-N 2.84Å; A433-M480 HydrophobicContact CB-CE 4.1Å; A433-M480 HydrophobicContact CB-CG 3.75Å; A433-M480 HydrophobicContact CB-SD 3.56Å; A433-M480 VanDerWaalsContact CB-SD 3.56Å |
| 434 | N | 92.8 | Very high | 88.3 | Confident | 94 Ų | 94 | 52.6 Ų | 52.6 | 50% | 0.503 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 150.4 | 165.9 | 65.4 | 44 | 0 | 0 | 0 | 114.1 | L475 D476 | N434-L475 CarbonylContact C-O 3.54Å; N434-L475 VanDerWaalsContact CA-O 3.32Å; N434-L475 WeakPolarHBondContact CA-O 3.32Å; N434-D476 HydrophobicContact CB-CB 4.49Å; N434-D476 WeakPolarHBondContact CB-OD1 3.36Å |
| 435 | I | 94.2 | Very high | 88 | Confident | 4 Ų | 4 | 52.4 Ų | 52.4 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 121.2 | -179.3 | -48.9 | -177.2 | 0 | 0 | 0 | 106.3 | P421 L425 W451 V474 L475 F477 Y488 C504 V506 | P421-I435 HydrophobicContact CB-CG2 3.69Å; P421-I435 HydrophobicContact CG-CG2 4.09Å; L425-I435 HydrophobicContact CD2-CG1 4.18Å; I435-W451 HydrophobicContact CB-CH2 4.14Å; I435-W451 HydrophobicContact CB-CZ3 4.18Å; I435-W451 HydrophobicContact CG2-CH2 3.84Å; I435-W451 HydrophobicContact CG2-CZ3 3.73Å; I435-W451 WeakPolarHBondContact O-CH2 3.4Å; I435-V474 WeakPolarHBondContact O-CA 3.2Å; I435-L475 HydrophobicContact CB-CB 4.46Å; I435-L475 HydrophobicContact CD1-CD2 4.31Å; I435-L475 PolarHBondContact N-O 3.45Å; I435-L475 PolarHBondContact O-N 2.79Å; I435-F477 HydrophobicContact CD1-CE2 4.28Å; I435-Y488 HydrophobicContact CD1-CD1 4.29Å; I435-Y488 HydrophobicContact CD1-CD2 4.14Å; I435-Y488 HydrophobicContact CD1-CG 3.83Å; I435-C504 HydrophobicContact CD1-CB 4.48Å; I435-C504 HydrophobicContact CG2-CB 3.98Å; I435-V506 HydrophobicContact CD1-CG2 3.76Å |
| 436 | T | 94.3 | Very high | 87.7 | Confident | 64 Ų | 64 | 52.9 Ų | 52.9 | 39% | 0.393 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 144.5 | -173.5 | 63.1 | 0 | 0 | 0 | 0 | 111.5 | P421 A473 V474 | P421-T436 WeakPolarHBondContact CA-O 3.46Å; T436-A473 WeakPolarHBondContact CA-O 3.29Å; T436-V474 HydrophobicContact CG2-CG1 4.11Å; T436-V474 HydrophobicContact CG2-CG2 4.02Å |
| 437 | A | 93.7 | Very high | 87.5 | Confident | 3 Ų | 3 | 50 Ų | 50 | 3% | 0.025 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 160.2 | 175 | 0 | 0 | 0 | 0 | 0 | 110.1 | F417 V419 P421 A473 C490 | F417-A437 HydrophobicContact CD1-CB 4.03Å; F417-A437 HydrophobicContact CE1-CB 3.84Å; V419-A437 CarbonylContact O-C 3.45Å; V419-A437 WeakPolarHBondContact O-CA 3.3Å; P421-A437 HydrophobicContact CG-CB 4.2Å; A437-A473 HydrophobicContact CB-CB 4.49Å; A437-A473 PolarHBondContact N-O 2.9Å; A437-A473 PolarHBondContact O-N 2.9Å; A437-C490 VanDerWaalsContact CB-SG 3.51Å |
| 438 | R | 93 | Very high | 87.6 | Confident | 75 Ų | 75 | 52.5 Ų | 52.5 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 122 | 175.5 | -163.5 | -174.9 | -176.9 | 177 | 3.2 | 111.5 | F417 V418 V419 G471 Y472 | F417-R438 CarbonylContact C-O 3.47Å; F417-R438 WeakPolarHBondContact CA-O 3.42Å; V418-R438 PolarHBondContact N-O 2.98Å; V419-R438 HydrophobicContact CB-CB 3.74Å; V419-R438 HydrophobicContact CG2-CB 3.92Å; V419-R438 PolarHBondContact N-O 3.37Å; V419-R438 PolarHBondContact O-N 2.96Å; R438-G471 CarbonylContact C-O 3.56Å; R438-G471 WeakPolarHBondContact CA-O 3.5Å; R438-G471 WeakPolarHBondContact CG-O 3.4Å; R438-Y472 HydrophobicContact CB-CD1 4.35Å; R438-Y472 HydrophobicContact CG-CD1 4Å; R438-Y472 HydrophobicContact CG-CE1 4.08Å; R438-Y472 HydrophobicContact CG-CG 4.4Å; R438-Y472 PolarHBondContact NH1-OH 2.83Å; R438-Y472 PolarHBondContact NH2-OH 2.85Å |
| 439 | V | 92.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 151.4 | 178.1 | 55.1 | 0 | 0 | 0 | 0 | 111.3 | P415 Q416 F417 L447 V449 F468 G471 A492 | P415-V439 HydrophobicContact CB-CG2 3.92Å; Q416-V439 CarbonylContact O-C 3.55Å; Q416-V439 WeakPolarHBondContact O-CA 3.33Å; F417-V439 HydrophobicContact CD1-CB 4.08Å; F417-V439 HydrophobicContact CE1-CB 4.06Å; V439-L447 HydrophobicContact CG1-CD2 3.95Å; V439-L447 HydrophobicContact CG2-CD1 4.21Å; V439-L447 HydrophobicContact CG2-CD2 4.15Å; V439-V449 HydrophobicContact CG1-CG2 4.15Å; V439-F468 HydrophobicContact CG1-CE2 3.67Å; V439-F468 HydrophobicContact CG1-CZ 3.99Å; V439-G471 PolarHBondContact N-O 3.14Å; V439-G471 WeakPolarHBondContact O-CA 3.49Å; V439-A492 HydrophobicContact CB-CB 4.35Å; V439-A492 HydrophobicContact CG1-CB 4.49Å; V439-A492 HydrophobicContact CG2-CB 3.83Å |
| 440 | R | 89.9 | Confident | 88.2 | Confident | 125 Ų | 125 | 53.9 Ų | 53.9 | 47% | 0.472 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 159.5 | 163.4 | -78 | -173.9 | -177.3 | 142.7 | -4.8 | 109.5 | P415 Q416 V418 A442 | P415-R440 CarbonylContact C-O 3.56Å; P415-R440 VanDerWaalsContact CA-O 3.29Å; P415-R440 WeakPolarHBondContact CA-O 3.35Å; Q416-R440 PolarHBondContact N-O 2.85Å; Q416-R440 PolarHBondContact O-N 2.86Å; V418-R440 HydrophobicContact CG2-CB 4.04Å; V418-R440 HydrophobicContact CG2-CG 3.76Å; R440-A442 HydrophobicContact CG-CB 4.48Å |
| 441 | P | 84.2 | Confident | 88.7 | Confident | 7 Ų | 7 | 52.3 Ų | 52.3 | 5% | 0.045 | 30% | 0.3 | C | S | . | . | S | Bend | cis | -68.3 | 123.1 | -2.8 | 26.3 | -33.8 | 0 | 0 | 0 | 112.9 | D410 G443 D444 L447 | D410-P441 WeakPolarHBondContact O-CB 3.25Å; P441-G443 PolarHBondContact O-N 2.79Å; P441-D444 HydrophobicContact CB-CB 4.22Å; P441-D444 HydrophobicContact CG-CB 3.74Å; P441-D444 PolarHBondContact O-N 2.88Å; P441-L447 VanDerWaalsContact O-CD2 3.27Å; P441-L447 WeakPolarHBondContact O-CD2 3.43Å |
| 442 | A | 77.4 | Confident | 88.9 | Confident | 34 Ų | 34 | 49.2 Ų | 49.2 | 28% | 0.281 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | R440 R470 | R440-A442 HydrophobicContact CG-CB 4.48Å; A442-R470 WeakPolarHBondContact CB-O 3.32Å; A442-R470 CarbonylContact O-C 3.46Å; A442-R470 WeakPolarHBondContact O-CA 3.4Å |
| 443 | G | 71.8 | Confident | 89 | Confident | 64 Ų | 64 | 47.6 Ų | 47.6 | 66% | 0.66 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.5 | 10.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | P441 | P441-G443 PolarHBondContact O-N 2.79Š|
| 444 | D | 81.3 | Confident | 89 | Confident | 28 Ų | 28 | 51.7 Ų | 51.7 | 15% | 0.15 | 29% | 0.289 | C | S | . | . | trans | -79.8 | 122.9 | 177.1 | 177.5 | -3.5 | 0 | 0 | 0 | 110.5 | P441 T446 L447 N494 | P441-D444 HydrophobicContact CB-CB 4.22Å; P441-D444 HydrophobicContact CG-CB 3.74Å; P441-D444 PolarHBondContact O-N 2.88Å; D444-T446 VanDerWaalsContact C-N 3.31Å; D444-T446 WeakPolarHBondContact OD1-CA 3.4Å; D444-T446 WeakPolarHBondContact OD1-CB 3.21Å; D444-T446 PolarHBondContact OD1-N 2.83Å; D444-T446 PolarHBondContact OD1-OG1 2.8Å; D444-T446 PolarHBondContact OD2-OG1 3.03Å; D444-L447 HydrophobicContact CB-CB 4.19Å; D444-L447 WeakPolarHBondContact O-CB 3.5Å; D444-N494 VanDerWaalsContact OD2-CB 3.28Å; D444-N494 WeakPolarHBondContact OD2-CB 3.18Å; D444-N494 PolarHBondContact OD2-ND2 3.5Å | ||
| 445 | S | 80.9 | Confident | 88.8 | Confident | 115 Ų | 115 | 50.5 Ų | 50.5 | 80% | 0.804 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -7.8 | 179.5 | 46.5 | 0 | 0 | 0 | 0 | 114.6 | ||
| 446 | T | 84.2 | Confident | 88.6 | Confident | 49 Ų | 49 | 57.6 Ų | 57.6 | 30% | 0.301 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.5 | -2.8 | 174 | 70.2 | 0 | 0 | 0 | 0 | 113 | D444 V448 S495 | D444-T446 VanDerWaalsContact C-N 3.31Å; D444-T446 WeakPolarHBondContact OD1-CA 3.4Å; D444-T446 WeakPolarHBondContact OD1-CB 3.21Å; D444-T446 PolarHBondContact OD1-N 2.83Å; D444-T446 PolarHBondContact OD1-OG1 2.8Å; D444-T446 PolarHBondContact OD2-OG1 3.03Å; T446-V448 PolarHBondContact O-N 2.82Å; T446-S495 PolarHBondContact OG1-N 3.01Å; T446-S495 VanDerWaalsContact OG1-N 3.16Å |
| 447 | L | 87.1 | Confident | 88.5 | Confident | 12 Ų | 12 | 58.8 Ų | 58.8 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | trans | -79.7 | 107.7 | -174.9 | -176.4 | 58.5 | 0 | 0 | 0 | 112 | P415 V439 P441 D444 F468 A492 T493 N494 | P415-L447 HydrophobicContact CB-CD1 3.91Å; V439-L447 HydrophobicContact CG1-CD2 3.95Å; V439-L447 HydrophobicContact CG2-CD1 4.21Å; V439-L447 HydrophobicContact CG2-CD2 4.15Å; P441-L447 VanDerWaalsContact O-CD2 3.27Å; P441-L447 WeakPolarHBondContact O-CD2 3.43Å; D444-L447 HydrophobicContact CB-CB 4.19Å; D444-L447 WeakPolarHBondContact O-CB 3.5Å; L447-F468 HydrophobicContact CD2-CE1 4.49Å; L447-F468 HydrophobicContact CD2-CZ 3.81Å; L447-F468 HydrophobicContact CG-CE1 4.2Å; L447-F468 HydrophobicContact CG-CZ 3.85Å; L447-F468 WeakPolarHBondContact O-CE1 3.4Å; L447-A492 HydrophobicContact CD1-CB 4.17Å; L447-T493 WeakPolarHBondContact CA-O 3.27Å; L447-N494 HydrophobicContact CB-CB 4.35Å; L447-N494 HydrophobicContact CD1-CB 4.08Å | ||
| 448 | V | 90.5 | Very high | 88.3 | Confident | 85 Ų | 85 | 60 Ų | 60 | 52% | 0.515 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 141.1 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 109.3 | T446 A492 T493 | T446-V448 PolarHBondContact O-N 2.82Å; V448-A492 CarbonylContact O-C 3.58Å; V448-A492 WeakPolarHBondContact O-CA 3.33Å; V448-T493 PolarHBondContact N-O 3.21Å; V448-T493 PolarHBondContact O-N 2.86Å |
| 449 | V | 92.3 | Very high | 88 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.152 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 126 | 174.6 | -175.1 | 0 | 0 | 0 | 0 | 110.6 | V439 F468 A473 C490 V491 A492 | V439-V449 HydrophobicContact CG1-CG2 4.15Å; V449-F468 HydrophobicContact CB-CD2 4.19Å; V449-F468 HydrophobicContact CB-CE2 4.46Å; V449-F468 HydrophobicContact CB-CG 4.43Å; V449-F468 HydrophobicContact CG2-CD1 4.44Å; V449-F468 HydrophobicContact CG2-CD2 3.69Å; V449-F468 HydrophobicContact CG2-CE1 4.26Å; V449-F468 HydrophobicContact CG2-CE2 3.48Å; V449-F468 VanDerWaalsContact CG2-CE2 3.48Å; V449-F468 HydrophobicContact CG2-CG 4.18Å; V449-F468 HydrophobicContact CG2-CZ 3.79Å; V449-A473 HydrophobicContact CB-CB 4.45Å; V449-A473 HydrophobicContact CG1-CB 3.84Å; V449-C490 HydrophobicContact CG1-CB 3.91Å; V449-V491 WeakPolarHBondContact CA-O 3.29Å; V449-A492 HydrophobicContact CG2-CB 4Å |
| 450 | E | 93.7 | Very high | 87.5 | Confident | 101 Ų | 101 | 66.2 Ų | 66.2 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 148.6 | 176.5 | -67.1 | -175.4 | 156.4 | 0 | 0 | 110.5 | Y452 C490 V491 | E450-Y452 HydrophobicContact CB-CD2 4.47Å; E450-Y452 HydrophobicContact CB-CE2 3.8Å; E450-Y452 PolarHBondContact OE2-OH 3.14Å; E450-Y452 VanDerWaalsContact OE2-OH 3.06Å; E450-C490 CarbonylContact O-C 3.6Å; E450-C490 WeakPolarHBondContact O-CA 3.28Å; E450-C490 WeakPolarHBondContact O-CB 3.35Å; E450-V491 PolarHBondContact N-O 2.71Å; E450-V491 PolarHBondContact O-N 2.7Å |
| 451 | W | 94.8 | Very high | 87.3 | Confident | 13 Ų | 13 | 62.7 Ų | 62.7 | 5% | 0.049 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 142.8 | 175.9 | -73 | 89.4 | 0 | 0 | 0 | 111.2 | P421 I435 L458 T466 A473 L475 C490 | P421-W451 HydrophobicContact CG-CH2 4.42Å; P421-W451 HydrophobicContact CG-CZ3 4.36Å; I435-W451 HydrophobicContact CB-CH2 4.14Å; I435-W451 HydrophobicContact CB-CZ3 4.18Å; I435-W451 HydrophobicContact CG2-CH2 3.84Å; I435-W451 HydrophobicContact CG2-CZ3 3.73Å; I435-W451 WeakPolarHBondContact O-CH2 3.4Å; W451-L458 HydrophobicContact CB-CB 4.14Å; W451-L458 HydrophobicContact CB-CD2 4.03Å; W451-L458 VanDerWaalsContact O-CB 3.28Å; W451-L458 WeakPolarHBondContact O-CB 3.46Å; W451-L458 PolarHBondContact O-N 3.44Å; W451-T466 HydrophobicContact CB-CG2 4.31Å; W451-T466 VanDerWaalsContact CD1-CG2 3.42Å; W451-T466 HydrophobicContact CG-CG2 4Å; W451-A473 HydrophobicContact CZ2-CB 4.19Å; W451-L475 HydrophobicContact CD2-CB 3.71Å; W451-L475 HydrophobicContact CD2-CD2 4.09Å; W451-L475 HydrophobicContact CE3-CB 3.98Å; W451-L475 HydrophobicContact CE3-CD2 3.86Å; W451-L475 HydrophobicContact CG-CB 4.26Å; W451-L475 HydrophobicContact CG-CD2 4.43Å; W451-L475 HydrophobicContact CH2-CB 4.08Å; W451-L475 HydrophobicContact CZ2-CB 3.81Å; W451-L475 HydrophobicContact CZ3-CB 4.16Å; W451-L475 HydrophobicContact CZ3-CD2 4.39Å; W451-C490 HydrophobicContact CD2-CB 3.78Å; W451-C490 HydrophobicContact CE3-CB 3.81Å; W451-C490 HydrophobicContact CG-CB 4.35Å; W451-C490 HydrophobicContact CH2-CB 4.21Å; W451-C490 HydrophobicContact CZ2-CB 4.18Å; W451-C490 HydrophobicContact CZ3-CB 4.02Å |
| 452 | Y | 94.9 | Very high | 87.4 | Confident | 51 Ų | 51 | 67.7 Ų | 67.7 | 20% | 0.2 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 138.7 | -178.5 | -71.8 | -106.5 | 0 | 0 | 0 | 110.2 | E450 K456 P457 Y488 S489 V491 | E450-Y452 HydrophobicContact CB-CD2 4.47Å; E450-Y452 HydrophobicContact CB-CE2 3.8Å; E450-Y452 PolarHBondContact OE2-OH 3.14Å; E450-Y452 VanDerWaalsContact OE2-OH 3.06Å; Y452-K456 CarbonylContact C-O 3.37Å; Y452-K456 WeakPolarHBondContact CA-O 3.31Å; Y452-K456 WeakPolarHBondContact CB-O 3.24Å; Y452-K456 VanDerWaalsContact CD1-C 3.43Å; Y452-P457 HydrophobicContact CD1-CB 4.28Å; Y452-P457 HydrophobicContact CE1-CB 3.97Å; Y452-P457 HydrophobicContact CE1-CG 4.49Å; Y452-Y488 CarbonylContact O-C 3.58Å; Y452-Y488 VanDerWaalsContact O-CA 3.32Å; Y452-Y488 WeakPolarHBondContact O-CA 3.32Å; Y452-S489 PolarHBondContact N-O 2.93Å; Y452-S489 PolarHBondContact O-N 3.01Å; Y452-V491 HydrophobicContact CD2-CB 4.33Å; Y452-V491 HydrophobicContact CD2-CG2 3.75Å; Y452-V491 HydrophobicContact CE2-CB 3.94Å; Y452-V491 HydrophobicContact CE2-CG2 3.64Å |
| 453 | K | 93.9 | Very high | 88 | Confident | 44 Ų | 44 | 68.1 Ų | 68.1 | 19% | 0.191 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 127 | 173.5 | -178.9 | -172.2 | -175.6 | -177.3 | 0 | 109.4 | G455 K456 L458 D483 D484 D487 Y488 | K453-G455 PolarHBondContact O-N 3.23Å; K453-G455 VanDerWaalsContact O-N 3.15Å; K453-K456 PolarHBondContact N-O 2.69Å; K453-K456 PolarHBondContact O-N 2.84Å; K453-L458 HydrophobicContact CB-CD1 3.96Å; K453-L458 HydrophobicContact CD-CD1 4.41Å; K453-D483 PolarHBondContact NZ-O 2.85Å; K453-D484 VanDerWaalsContact NZ-CA 3.33Å; K453-D484 IonicContact NZ-OD1 2.7Å; K453-D487 CarbonylContact C-O 3.48Å; K453-D487 WeakPolarHBondContact CA-O 3.38Å; K453-Y488 HydrophobicContact CB-CD1 4.09Å; K453-Y488 HydrophobicContact CB-CE1 3.86Å; K453-Y488 HydrophobicContact CD-CE1 3.9Å; K453-Y488 HydrophobicContact CD-CE2 4.3Å; K453-Y488 WeakPolarHBondContact CD-OH 3.35Å; K453-Y488 WeakPolarHBondContact CE-OH 3.32Å; K453-Y488 HydrophobicContact CG-CD1 4.31Å; K453-Y488 HydrophobicContact CG-CE1 3.82Å; K453-Y488 HydrophobicContact CG-CE2 4.07Å; K453-Y488 PolarHBondContact NZ-OH 3.45Å |
| 454 | N | 91.7 | Very high | 89 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 50% | 0.497 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49.9 | 39.3 | -178.9 | -60.8 | -27.1 | 0 | 0 | 0 | 112.7 | K456 G486 D487 | N454-K456 VanDerWaalsContact C-N 3.29Å; N454-K456 PolarHBondContact O-N 3.32Å; N454-G486 WeakPolarHBondContact OD1-CA 3.15Å; N454-D487 PolarHBondContact N-O 2.9Å; N454-D487 PolarHBondContact OD1-N 3.32Å |
| 455 | G | 88.8 | Confident | 89.5 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 70% | 0.701 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.1 | 0.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | K453 | K453-G455 PolarHBondContact O-N 3.23Å; K453-G455 VanDerWaalsContact O-N 3.15Å |
| 456 | K | 89.6 | Confident | 90 | Very high | 154 Ų | 154 | 66.9 Ų | 66.9 | 67% | 0.67 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -104 | 145.6 | 175.7 | -63.6 | 176.9 | -177.6 | 176.6 | 0 | 110.5 | Y452 K453 N454 L458 | Y452-K456 CarbonylContact C-O 3.37Å; Y452-K456 WeakPolarHBondContact CA-O 3.31Å; Y452-K456 WeakPolarHBondContact CB-O 3.24Å; Y452-K456 VanDerWaalsContact CD1-C 3.43Å; K453-K456 PolarHBondContact N-O 2.69Å; K453-K456 PolarHBondContact O-N 2.84Å; N454-K456 VanDerWaalsContact C-N 3.29Å; N454-K456 PolarHBondContact O-N 3.32Å; K456-L458 PolarHBondContact O-N 2.88Å |
| 457 | P | 91.4 | Very high | 90.4 | Very high | 89 Ų | 89 | 68.5 Ų | 68.5 | 58% | 0.578 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60 | 138.5 | 174 | 26.5 | -34.4 | 0 | 0 | 0 | 110 | Y452 P459 | Y452-P457 HydrophobicContact CD1-CB 4.28Å; Y452-P457 HydrophobicContact CE1-CB 3.97Å; Y452-P457 HydrophobicContact CE1-CG 4.49Å; P457-P459 WeakPolarHBondContact O-CD 3.45Å |
| 458 | L | 91.1 | Very high | 90.5 | Very high | 29 Ų | 29 | 71.5 Ų | 71.5 | 15% | 0.152 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -73.7 | 118.7 | -177 | -171.6 | 72.5 | 0 | 0 | 0 | 109.4 | W451 K453 K456 F464 T466 L475 Y488 | W451-L458 HydrophobicContact CB-CB 4.14Å; W451-L458 HydrophobicContact CB-CD2 4.03Å; W451-L458 VanDerWaalsContact O-CB 3.28Å; W451-L458 WeakPolarHBondContact O-CB 3.46Å; W451-L458 PolarHBondContact O-N 3.44Å; K453-L458 HydrophobicContact CB-CD1 3.96Å; K453-L458 HydrophobicContact CD-CD1 4.41Å; K456-L458 PolarHBondContact O-N 2.88Å; L458-F464 HydrophobicContact CD1-CE2 4.09Å; L458-F464 HydrophobicContact CD1-CZ 3.86Å; L458-F464 HydrophobicContact CD2-CD2 3.94Å; L458-F464 HydrophobicContact CD2-CE2 3.56Å; L458-F464 HydrophobicContact CD2-CZ 4.19Å; L458-F464 HydrophobicContact CG-CD2 4.46Å; L458-F464 HydrophobicContact CG-CE2 3.61Å; L458-F464 HydrophobicContact CG-CZ 3.86Å; L458-T466 HydrophobicContact CD2-CG2 4.34Å; L458-L475 HydrophobicContact CD2-CD1 3.63Å; L458-L475 HydrophobicContact CD2-CD2 3.75Å; L458-L475 HydrophobicContact CD2-CG 4.36Å; L458-Y488 HydrophobicContact CD1-CE1 4.01Å |
| 459 | P | 86.5 | Confident | 90.4 | Very high | 93 Ų | 93 | 71.7 Ų | 71.7 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | P | Polyproline II helix | trans | -71.2 | 148.6 | -179.1 | 30.4 | -35.3 | 0 | 0 | 0 | 111 | P457 A461 F464 | P457-P459 WeakPolarHBondContact O-CD 3.45Å; P459-A461 PolarHBondContact O-N 3.41Å; P459-F464 WeakPolarHBondContact O-CE2 3.43Å; P459-F464 VanDerWaalsContact O-CZ 3.28Å; P459-F464 WeakPolarHBondContact O-CZ 3.39Å |
| 460 | A | 82.1 | Confident | 90.1 | Very high | 112 Ų | 112 | 79 Ų | 79 | 93% | 0.926 | 45% | 0.45 | S | S | * | . | P | Polyproline II helix | trans | -62 | 130.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 461 | A | 85.3 | Confident | 89.7 | Confident | 50 Ų | 50 | 74.2 Ų | 74.2 | 41% | 0.413 | 43% | 0.429 | S | S | . | . | trans | -143 | 167.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | P459 F464 | P459-A461 PolarHBondContact O-N 3.41Å; A461-F464 HydrophobicContact CB-CD1 4.26Å; A461-F464 HydrophobicContact CB-CE1 3.7Å; A461-F464 HydrophobicContact CB-CE2 3.97Å; A461-F464 HydrophobicContact CB-CZ 3.53Å | ||
| 462 | S | 85.4 | Confident | 89.5 | Confident | 113 Ų | 113 | 79.4 Ų | 79.4 | 79% | 0.79 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -85.5 | -20.3 | 176.3 | 52.5 | 0 | 0 | 0 | 0 | 114.2 | ||
| 463 | R | 91.1 | Very high | 89.4 | Confident | 42 Ų | 42 | 77 Ų | 77 | 16% | 0.158 | 44% | 0.44 | C | S | . | . | S | Bend | trans | -80.6 | -17.4 | -177.4 | -61.1 | -160.5 | -62.8 | 100.8 | -0.1 | 114.2 | L478 Y479 N481 D484 | R463-L478 WeakPolarHBondContact O-CB 3.15Å; R463-L478 PolarHBondContact O-N 3.26Å; R463-Y479 WeakPolarHBondContact CD-OH 3.24Å; R463-Y479 HydrophobicContact CG-CE1 4.29Å; R463-Y479 HydrophobicContact CG-CE2 4.2Å; R463-Y479 PolarHBondContact NH1-O 3.27Å; R463-N481 PolarHBondContact NH1-OD1 2.71Å; R463-D484 IonicContact CZ-OD1 3.97Å; R463-D484 IonicContact CZ-OD2 2.68Å; R463-D484 IonicContact NH1-OD1 2.96Å; R463-D484 IonicContact NH1-OD2 2.92Å; R463-D484 PolarHBondContact NH1-OD2 2.84Å; R463-D484 IonicContact NH2-OD1 3.93Å; R463-D484 PolarHBondContact NH2-OD1 3.47Å; R463-D484 IonicContact NH2-OD2 3.91Å; R463-D484 PolarHBondContact NH2-OD2 2.77Å |
| 464 | F | 91.7 | Very high | 89.5 | Confident | 23 Ų | 23 | 76.6 Ų | 76.6 | 10% | 0.101 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 153.5 | -178.3 | 55.9 | -104.9 | 0 | 0 | 0 | 111.9 | L458 P459 A461 L475 D476 F477 | L458-F464 HydrophobicContact CD1-CE2 4.09Å; L458-F464 HydrophobicContact CD1-CZ 3.86Å; L458-F464 HydrophobicContact CD2-CD2 3.94Å; L458-F464 HydrophobicContact CD2-CE2 3.56Å; L458-F464 HydrophobicContact CD2-CZ 4.19Å; L458-F464 HydrophobicContact CG-CD2 4.46Å; L458-F464 HydrophobicContact CG-CE2 3.61Å; L458-F464 HydrophobicContact CG-CZ 3.86Å; P459-F464 WeakPolarHBondContact O-CE2 3.43Å; P459-F464 VanDerWaalsContact O-CZ 3.28Å; P459-F464 WeakPolarHBondContact O-CZ 3.39Å; A461-F464 HydrophobicContact CB-CD1 4.26Å; A461-F464 HydrophobicContact CB-CE1 3.7Å; A461-F464 HydrophobicContact CB-CE2 3.97Å; A461-F464 HydrophobicContact CB-CZ 3.53Å; F464-L475 HydrophobicContact CB-CD1 4.11Å; F464-L475 HydrophobicContact CD2-CD1 3.95Å; F464-L475 HydrophobicContact CG-CD1 4.26Å; F464-D476 CarbonylContact C-O 3.58Å; F464-D476 WeakPolarHBondContact CA-O 3.33Å; F464-D476 WeakPolarHBondContact CB-O 3.39Å; F464-F477 HydrophobicContact CB-CB 4.34Å; F464-F477 HydrophobicContact CB-CD1 3.53Å; F464-F477 HydrophobicContact CB-CD2 4.44Å; F464-F477 HydrophobicContact CB-CE1 3.91Å; F464-F477 HydrophobicContact CB-CG 3.81Å; F464-F477 AromaticContact CD1-CD1 3.74Å; F464-F477 HydrophobicContact CD1-CD1 3.74Å; F464-F477 AromaticContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CZ 4.46Å; F464-F477 HydrophobicContact CE1-CE1 4.28Å; F464-F477 AromaticContact CG-CD1 3.98Å; F464-F477 HydrophobicContact CG-CD1 3.98Å; F464-F477 AromaticContact CG-CE1 3.9Å; F464-F477 HydrophobicContact CG-CE1 3.9Å |
| 465 | T | 92.4 | Very high | 89.6 | Confident | 78 Ų | 78 | 72.2 Ų | 72.2 | 48% | 0.479 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 149.3 | -179.7 | 70.7 | 0 | 0 | 0 | 0 | 111 | L475 D476 | T465-L475 WeakPolarHBondContact O-CA 3.35Å; T465-D476 PolarHBondContact N-O 3.5Å; T465-D476 PolarHBondContact O-N 2.86Å |
| 466 | T | 92.4 | Very high | 89.9 | Confident | 81 Ų | 81 | 72.3 Ų | 72.3 | 50% | 0.497 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.1 | 176.2 | 53.6 | 0 | 0 | 0 | 0 | 109.6 | W451 L458 V474 L475 | W451-T466 HydrophobicContact CB-CG2 4.31Å; W451-T466 VanDerWaalsContact CD1-CG2 3.42Å; W451-T466 HydrophobicContact CG-CG2 4Å; L458-T466 HydrophobicContact CD2-CG2 4.34Å; T466-V474 CarbonylContact C-O 3.58Å; T466-V474 WeakPolarHBondContact CA-O 3.21Å; T466-L475 HydrophobicContact CG2-CB 4.5Å; T466-L475 HydrophobicContact CG2-CD1 3.87Å |
| 467 | T | 91.2 | Very high | 90.1 | Very high | 82 Ų | 82 | 65 Ų | 65 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 150.9 | 178.7 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | A473 V474 | T467-A473 WeakPolarHBondContact O-CA 3.13Å; T467-V474 PolarHBondContact N-O 2.91Å; T467-V474 PolarHBondContact O-N 2.96Å |
| 468 | F | 90 | Very high | 90.1 | Very high | 76 Ų | 76 | 66.8 Ų | 66.8 | 33% | 0.333 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 120.5 | 177.2 | -176.6 | -116 | 0 | 0 | 0 | 110.9 | V439 L447 V449 Y472 A473 | V439-F468 HydrophobicContact CG1-CE2 3.67Å; V439-F468 HydrophobicContact CG1-CZ 3.99Å; L447-F468 HydrophobicContact CD2-CE1 4.49Å; L447-F468 HydrophobicContact CD2-CZ 3.81Å; L447-F468 HydrophobicContact CG-CE1 4.2Å; L447-F468 HydrophobicContact CG-CZ 3.85Å; L447-F468 WeakPolarHBondContact O-CE1 3.4Å; V449-F468 HydrophobicContact CB-CD2 4.19Å; V449-F468 HydrophobicContact CB-CE2 4.46Å; V449-F468 HydrophobicContact CB-CG 4.43Å; V449-F468 HydrophobicContact CG2-CD1 4.44Å; V449-F468 HydrophobicContact CG2-CD2 3.69Å; V449-F468 HydrophobicContact CG2-CE1 4.26Å; V449-F468 HydrophobicContact CG2-CE2 3.48Å; V449-F468 VanDerWaalsContact CG2-CE2 3.48Å; V449-F468 HydrophobicContact CG2-CG 4.18Å; V449-F468 HydrophobicContact CG2-CZ 3.79Å; F468-Y472 VanDerWaalsContact CA-O 3.31Å; F468-Y472 WeakPolarHBondContact CA-O 3.44Å; F468-Y472 WeakPolarHBondContact CD2-O 3.23Å; F468-A473 HydrophobicContact CD2-CB 3.96Å |
| 469 | D | 87.9 | Confident | 90 | Very high | 88 Ų | 88 | 70.1 Ų | 70.1 | 47% | 0.471 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 134.5 | 171.8 | 178.1 | 47 | 0 | 0 | 0 | 110.8 | G471 Y472 | D469-G471 PolarHBondContact O-N 3.37Å; D469-G471 VanDerWaalsContact O-N 3.08Å; D469-Y472 PolarHBondContact N-O 3.42Å; D469-Y472 WeakPolarHBondContact O-CB 3.22Å; D469-Y472 PolarHBondContact O-N 3.27Å |
| 470 | R | 85.3 | Confident | 90.2 | Very high | 179 Ų | 179 | 65.8 Ų | 65.8 | 68% | 0.675 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 44.8 | 44.9 | 173.6 | -66.7 | 162.2 | -175.7 | 120.3 | -5.7 | 114 | A442 Y472 | A442-R470 WeakPolarHBondContact CB-O 3.32Å; A442-R470 CarbonylContact O-C 3.46Å; A442-R470 WeakPolarHBondContact O-CA 3.4Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 3.05Å |
| 471 | G | 85.9 | Confident | 90.5 | Very high | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.01 | 33% | 0.325 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 77.5 | 2 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | R438 V439 D469 | R438-G471 CarbonylContact C-O 3.56Å; R438-G471 WeakPolarHBondContact CA-O 3.5Å; R438-G471 WeakPolarHBondContact CG-O 3.4Å; V439-G471 PolarHBondContact N-O 3.14Å; V439-G471 WeakPolarHBondContact O-CA 3.49Å; D469-G471 PolarHBondContact O-N 3.37Å; D469-G471 VanDerWaalsContact O-N 3.08Å |
| 472 | Y | 91.7 | Very high | 90.5 | Very high | 121 Ų | 121 | 64.9 Ų | 64.9 | 48% | 0.475 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 123.8 | 168.1 | -65.6 | -88.4 | 0 | 0 | 0 | 109.8 | R438 F468 D469 R470 | R438-Y472 HydrophobicContact CB-CD1 4.35Å; R438-Y472 HydrophobicContact CG-CD1 4Å; R438-Y472 HydrophobicContact CG-CE1 4.08Å; R438-Y472 HydrophobicContact CG-CG 4.4Å; R438-Y472 PolarHBondContact NH1-OH 2.83Å; R438-Y472 PolarHBondContact NH2-OH 2.85Å; F468-Y472 VanDerWaalsContact CA-O 3.31Å; F468-Y472 WeakPolarHBondContact CA-O 3.44Å; F468-Y472 WeakPolarHBondContact CD2-O 3.23Å; D469-Y472 PolarHBondContact N-O 3.42Å; D469-Y472 WeakPolarHBondContact O-CB 3.22Å; D469-Y472 PolarHBondContact O-N 3.27Å; R470-Y472 VanDerWaalsContact C-N 3.31Å; R470-Y472 PolarHBondContact O-N 3.05Å |
| 473 | A | 92.8 | Very high | 90.6 | Very high | 1 Ų | 1 | 65.5 Ų | 65.5 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | T436 A437 V449 W451 T467 F468 | T436-A473 WeakPolarHBondContact CA-O 3.29Å; A437-A473 HydrophobicContact CB-CB 4.49Å; A437-A473 PolarHBondContact N-O 2.9Å; A437-A473 PolarHBondContact O-N 2.9Å; V449-A473 HydrophobicContact CB-CB 4.45Å; V449-A473 HydrophobicContact CG1-CB 3.84Å; W451-A473 HydrophobicContact CZ2-CB 4.19Å; T467-A473 WeakPolarHBondContact O-CA 3.13Å; F468-A473 HydrophobicContact CD2-CB 3.96Å |
| 474 | V | 94.7 | Very high | 90.6 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 22% | 0.218 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 135.9 | 178.9 | -176.2 | 0 | 0 | 0 | 0 | 109.5 | I435 T436 T466 T467 D476 | I435-V474 WeakPolarHBondContact O-CA 3.2Å; T436-V474 HydrophobicContact CG2-CG1 4.11Å; T436-V474 HydrophobicContact CG2-CG2 4.02Å; T466-V474 CarbonylContact C-O 3.58Å; T466-V474 WeakPolarHBondContact CA-O 3.21Å; T467-V474 PolarHBondContact N-O 2.91Å; T467-V474 PolarHBondContact O-N 2.96Å; V474-D476 HydrophobicContact CG1-CB 4.24Å |
| 475 | L | 94.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.8 | 162.6 | 165.3 | 60.3 | 0 | 0 | 0 | 107.2 | N434 I435 W451 L458 F464 T465 T466 F477 Y488 | N434-L475 CarbonylContact C-O 3.54Å; N434-L475 VanDerWaalsContact CA-O 3.32Å; N434-L475 WeakPolarHBondContact CA-O 3.32Å; I435-L475 HydrophobicContact CB-CB 4.46Å; I435-L475 HydrophobicContact CD1-CD2 4.31Å; I435-L475 PolarHBondContact N-O 3.45Å; I435-L475 PolarHBondContact O-N 2.79Å; W451-L475 HydrophobicContact CD2-CB 3.71Å; W451-L475 HydrophobicContact CD2-CD2 4.09Å; W451-L475 HydrophobicContact CE3-CB 3.98Å; W451-L475 HydrophobicContact CE3-CD2 3.86Å; W451-L475 HydrophobicContact CG-CB 4.26Å; W451-L475 HydrophobicContact CG-CD2 4.43Å; W451-L475 HydrophobicContact CH2-CB 4.08Å; W451-L475 HydrophobicContact CZ2-CB 3.81Å; W451-L475 HydrophobicContact CZ3-CB 4.16Å; W451-L475 HydrophobicContact CZ3-CD2 4.39Å; L458-L475 HydrophobicContact CD2-CD1 3.63Å; L458-L475 HydrophobicContact CD2-CD2 3.75Å; L458-L475 HydrophobicContact CD2-CG 4.36Å; F464-L475 HydrophobicContact CB-CD1 4.11Å; F464-L475 HydrophobicContact CD2-CD1 3.95Å; F464-L475 HydrophobicContact CG-CD1 4.26Å; T465-L475 WeakPolarHBondContact O-CA 3.35Å; T466-L475 HydrophobicContact CG2-CB 4.5Å; T466-L475 HydrophobicContact CG2-CD1 3.87Å; L475-F477 HydrophobicContact CD1-CD2 4.46Å; L475-F477 HydrophobicContact CD1-CE2 3.99Å; L475-F477 HydrophobicContact CD1-CZ 4.24Å; L475-F477 HydrophobicContact CD2-CE2 3.75Å; L475-F477 HydrophobicContact CD2-CZ 4Å; L475-F477 HydrophobicContact CG-CD2 4.22Å; L475-F477 HydrophobicContact CG-CE2 3.58Å; L475-F477 HydrophobicContact CG-CZ 4.16Å; L475-Y488 HydrophobicContact CD2-CD1 3.62Å; L475-Y488 HydrophobicContact CD2-CE1 3.98Å |
| 476 | D | 93.9 | Very high | 90.6 | Very high | 70 Ų | 70 | 62.3 Ų | 62.3 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 124.7 | -170.3 | -168.5 | 61.9 | 0 | 0 | 0 | 109.4 | N434 F464 T465 V474 | N434-D476 HydrophobicContact CB-CB 4.49Å; N434-D476 WeakPolarHBondContact CB-OD1 3.36Å; F464-D476 CarbonylContact C-O 3.58Å; F464-D476 WeakPolarHBondContact CA-O 3.33Å; F464-D476 WeakPolarHBondContact CB-O 3.39Å; T465-D476 PolarHBondContact N-O 3.5Å; T465-D476 PolarHBondContact O-N 2.86Å; V474-D476 HydrophobicContact CG1-CB 4.24Å |
| 477 | F | 94.1 | Very high | 90.7 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.009 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 129.2 | -177 | -66.8 | -103.8 | 0 | 0 | 0 | 110.5 | P432 A433 I435 F464 L475 M480 Y488 | P432-F477 WeakPolarHBondContact CA-O 3.21Å; P432-F477 WeakPolarHBondContact CB-O 3.2Å; A433-F477 HydrophobicContact CB-CB 4.21Å; A433-F477 HydrophobicContact CB-CD2 4.29Å; A433-F477 PolarHBondContact N-O 2.94Å; A433-F477 VanDerWaalsContact N-O 3.12Å; A433-F477 PolarHBondContact O-N 2.84Å; I435-F477 HydrophobicContact CD1-CE2 4.28Å; F464-F477 HydrophobicContact CB-CB 4.34Å; F464-F477 HydrophobicContact CB-CD1 3.53Å; F464-F477 HydrophobicContact CB-CD2 4.44Å; F464-F477 HydrophobicContact CB-CE1 3.91Å; F464-F477 HydrophobicContact CB-CG 3.81Å; F464-F477 AromaticContact CD1-CD1 3.74Å; F464-F477 HydrophobicContact CD1-CD1 3.74Å; F464-F477 AromaticContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CE1 3.53Å; F464-F477 HydrophobicContact CD1-CZ 4.46Å; F464-F477 HydrophobicContact CE1-CE1 4.28Å; F464-F477 AromaticContact CG-CD1 3.98Å; F464-F477 HydrophobicContact CG-CD1 3.98Å; F464-F477 AromaticContact CG-CE1 3.9Å; F464-F477 HydrophobicContact CG-CE1 3.9Å; L475-F477 HydrophobicContact CD1-CD2 4.46Å; L475-F477 HydrophobicContact CD1-CE2 3.99Å; L475-F477 HydrophobicContact CD1-CZ 4.24Å; L475-F477 HydrophobicContact CD2-CE2 3.75Å; L475-F477 HydrophobicContact CD2-CZ 4Å; L475-F477 HydrophobicContact CG-CD2 4.22Å; L475-F477 HydrophobicContact CG-CE2 3.58Å; L475-F477 HydrophobicContact CG-CZ 4.16Å; F477-M480 HydrophobicContact CB-CE 3.87Å; F477-M480 HydrophobicContact CD1-CE 3.27Å; F477-M480 HydrophobicContact CD2-CE 3.82Å; F477-M480 HydrophobicContact CE1-CE 3.6Å; F477-M480 HydrophobicContact CE2-CE 4.08Å; F477-M480 HydrophobicContact CG-CE 3.41Å; F477-M480 VanDerWaalsContact CG-CE 3.41Å; F477-M480 HydrophobicContact CZ-CE 3.99Å; F477-Y488 HydrophobicContact CE2-CE1 4.44Å; F477-Y488 AromaticContact CZ-CE1 3.67Å; F477-Y488 HydrophobicContact CZ-CE1 3.67Å; F477-Y488 AromaticContact CZ-CZ 3.78Å |
| 478 | L | 91.1 | Very high | 90.9 | Very high | 125 Ų | 125 | 57.5 Ų | 57.5 | 65% | 0.654 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70 | -33.5 | 177.6 | -172 | 65 | 0 | 0 | 0 | 112.4 | R463 | R463-L478 WeakPolarHBondContact O-CB 3.15Å; R463-L478 PolarHBondContact O-N 3.26Å |
| 479 | Y | 90 | Very high | 91.1 | Very high | 100 Ų | 100 | 54.4 Ų | 54.4 | 39% | 0.392 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -161.4 | 144.4 | 170.8 | 54 | -87.3 | 0 | 0 | 0 | 110.5 | G430 R463 N481 | G430-Y479 VanDerWaalsContact O-CB 3.25Å; G430-Y479 WeakPolarHBondContact O-CB 3.47Å; R463-Y479 WeakPolarHBondContact CD-OH 3.24Å; R463-Y479 HydrophobicContact CG-CE1 4.29Å; R463-Y479 HydrophobicContact CG-CE2 4.2Å; R463-Y479 PolarHBondContact NH1-O 3.27Å; Y479-N481 VanDerWaalsContact CD2-OD1 3.24Å; Y479-N481 WeakPolarHBondContact CD2-OD1 3.37Å; Y479-N481 WeakPolarHBondContact CE2-OD1 3.07Å |
| 480 | M | 90.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 50.2 Ų | 50.2 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | trans | -86.5 | 136.3 | 177 | -67.2 | -91.6 | 77.7 | 0 | 0 | 112 | I427 G430 E431 A433 F477 D484 V506 I508 | I427-M480 HydrophobicContact CB-CG 4.46Å; I427-M480 HydrophobicContact CG2-CG 3.97Å; G430-M480 PolarHBondContact N-O 3.46Å; E431-M480 WeakPolarHBondContact O-CB 3.45Å; E431-M480 VanDerWaalsContact O-CG 3.23Å; E431-M480 WeakPolarHBondContact O-CG 3.04Å; E431-M480 PolarHBondContact O-N 2.94Å; A433-M480 HydrophobicContact CB-CE 4.1Å; A433-M480 HydrophobicContact CB-CG 3.75Å; A433-M480 HydrophobicContact CB-SD 3.56Å; A433-M480 VanDerWaalsContact CB-SD 3.56Å; F477-M480 HydrophobicContact CB-CE 3.87Å; F477-M480 HydrophobicContact CD1-CE 3.27Å; F477-M480 HydrophobicContact CD2-CE 3.82Å; F477-M480 HydrophobicContact CE1-CE 3.6Å; F477-M480 HydrophobicContact CE2-CE 4.08Å; F477-M480 HydrophobicContact CG-CE 3.41Å; F477-M480 VanDerWaalsContact CG-CE 3.41Å; F477-M480 HydrophobicContact CZ-CE 3.99Å; M480-D484 HydrophobicContact CE-CB 3.68Å; M480-V506 HydrophobicContact SD-CG1 3.99Å; M480-I508 HydrophobicContact CB-CD1 3.95Å; M480-I508 HydrophobicContact CB-CG1 4.29Å; M480-I508 HydrophobicContact CE-CD1 4.39Å; M480-I508 HydrophobicContact CG-CD1 4.4Å; M480-I508 HydrophobicContact SD-CD1 3.75Å; M480-I508 HydrophobicContact SD-CG1 4.08Å | ||
| 481 | N | 89.6 | Confident | 91.9 | Very high | 47 Ų | 47 | 42.2 Ų | 42.2 | 25% | 0.251 | 21% | 0.211 | S | C | . | . | trans | -114.7 | 158.6 | 169.5 | -69.2 | 44.6 | 0 | 0 | 0 | 110.1 | R463 Y479 D483 D484 I508 | R463-N481 PolarHBondContact NH1-OD1 2.71Å; Y479-N481 VanDerWaalsContact CD2-OD1 3.24Å; Y479-N481 WeakPolarHBondContact CD2-OD1 3.37Å; Y479-N481 WeakPolarHBondContact CE2-OD1 3.07Å; N481-D483 HydrophobicContact CB-CB 4.45Å; N481-D483 PolarHBondContact O-N 2.89Å; N481-D484 PolarHBondContact N-OD2 2.8Å; N481-D484 VanDerWaalsContact N-OD2 3.1Å; N481-D484 WeakPolarHBondContact O-CB 3.09Å; N481-D484 PolarHBondContact O-N 3.11Å; N481-I508 WeakPolarHBondContact O-CD1 3.49Å | ||
| 482 | E | 85.2 | Confident | 92.2 | Very high | 96 Ų | 96 | 42.1 Ų | 42.1 | 45% | 0.449 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -49.1 | -37 | 173.2 | 66 | 178 | 148.6 | 0 | 0 | 114.3 | E429 D484 N485 T516 | E429-E482 PolarHBondContact OE1-N 3.08Å; E482-D484 PolarHBondContact O-N 2.9Å; E482-D484 VanDerWaalsContact O-N 3.13Å; E482-N485 WeakPolarHBondContact O-CB 3.48Å; E482-N485 PolarHBondContact O-N 2.89Å; E482-T516 WeakPolarHBondContact OE1-CB 3.49Å; E482-T516 WeakPolarHBondContact OE1-CG2 3.3Å; E482-T516 PolarHBondContact OE1-OG1 3.28Å |
| 483 | D | 87.9 | Confident | 92.2 | Very high | 126 Ų | 126 | 38.8 Ų | 38.8 | 67% | 0.674 | 20% | 0.203 | S | C | * | . | G | 310 helix | trans | -54.4 | -26.2 | 173 | -88.4 | -40.4 | 0 | 0 | 0 | 114.4 | K453 N481 N485 | K453-D483 PolarHBondContact NZ-O 2.85Å; N481-D483 HydrophobicContact CB-CB 4.45Å; N481-D483 PolarHBondContact O-N 2.89Å; D483-N485 PolarHBondContact O-N 3.48Å |
| 484 | D | 90.6 | Very high | 92.1 | Very high | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.027 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -78.2 | -4.6 | -176.7 | -67 | -44.3 | 0 | 0 | 0 | 114.2 | K453 R463 M480 N481 E482 Y488 I508 | K453-D484 VanDerWaalsContact NZ-CA 3.33Å; K453-D484 IonicContact NZ-OD1 2.7Å; R463-D484 IonicContact CZ-OD1 3.97Å; R463-D484 IonicContact CZ-OD2 2.68Å; R463-D484 IonicContact NH1-OD1 2.96Å; R463-D484 IonicContact NH1-OD2 2.92Å; R463-D484 PolarHBondContact NH1-OD2 2.84Å; R463-D484 IonicContact NH2-OD1 3.93Å; R463-D484 PolarHBondContact NH2-OD1 3.47Å; R463-D484 IonicContact NH2-OD2 3.91Å; R463-D484 PolarHBondContact NH2-OD2 2.77Å; M480-D484 HydrophobicContact CE-CB 3.68Å; N481-D484 PolarHBondContact N-OD2 2.8Å; N481-D484 VanDerWaalsContact N-OD2 3.1Å; N481-D484 WeakPolarHBondContact O-CB 3.09Å; N481-D484 PolarHBondContact O-N 3.11Å; E482-D484 PolarHBondContact O-N 2.9Å; E482-D484 VanDerWaalsContact O-N 3.13Å; D484-Y488 VanDerWaalsContact O-CE2 3.28Å; D484-Y488 WeakPolarHBondContact O-CE2 3.4Å; D484-Y488 PolarHBondContact O-OH 2.74Å; D484-I508 HydrophobicContact CB-CD1 3.53Å |
| 485 | N | 91.9 | Very high | 91.8 | Very high | 66 Ų | 66 | 41.6 Ų | 41.6 | 35% | 0.353 | 22% | 0.223 | S | C | . | . | trans | -60 | 140.9 | 176.4 | -159.9 | -49.2 | 0 | 0 | 0 | 112.1 | E482 D483 V506 | E482-N485 WeakPolarHBondContact O-CB 3.48Å; E482-N485 PolarHBondContact O-N 2.89Å; D483-N485 PolarHBondContact O-N 3.48Å; N485-V506 WeakPolarHBondContact CA-O 3.27Å; N485-V506 PolarHBondContact OD1-O 3.4Å; N485-V506 VanDerWaalsContact OD1-O 3.12Å | ||
| 486 | G | 92.5 | Very high | 91.2 | Very high | 5 Ų | 5 | 45.1 Ų | 45.1 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 136.9 | -171.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | N454 Y488 V506 | N454-G486 WeakPolarHBondContact OD1-CA 3.15Å; G486-Y488 WeakPolarHBondContact O-CD2 3.47Å; G486-V506 PolarHBondContact N-O 2.8Å; G486-V506 PolarHBondContact O-N 3.12Å |
| 487 | D | 94.8 | Very high | 91 | Very high | 63 Ų | 63 | 43.2 Ų | 43.2 | 34% | 0.337 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 116.9 | -173.5 | -67.1 | -61.3 | 0 | 0 | 0 | 112.1 | K453 N454 C504 H505 | K453-D487 CarbonylContact C-O 3.48Å; K453-D487 WeakPolarHBondContact CA-O 3.38Å; N454-D487 PolarHBondContact N-O 2.9Å; N454-D487 PolarHBondContact OD1-N 3.32Å; D487-C504 WeakPolarHBondContact CA-O 3.37Å; D487-H505 WeakPolarHBondContact OD1-CB 3.32Å; D487-H505 IonicContact OD1-CG 3.55Å; D487-H505 IonicContact OD1-ND1 2.75Å; D487-H505 PolarHBondContact OD1-ND1 3.26Å; D487-H505 IonicContact OD2-ND1 3.52Å |
| 488 | Y | 95.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 128.6 | 178.2 | -70 | -99.3 | 0 | 0 | 0 | 111.4 | I435 Y452 K453 L458 L475 F477 D484 G486 S503 C504 V506 | I435-Y488 HydrophobicContact CD1-CD1 4.29Å; I435-Y488 HydrophobicContact CD1-CD2 4.14Å; I435-Y488 HydrophobicContact CD1-CG 3.83Å; Y452-Y488 CarbonylContact O-C 3.58Å; Y452-Y488 VanDerWaalsContact O-CA 3.32Å; Y452-Y488 WeakPolarHBondContact O-CA 3.32Å; K453-Y488 HydrophobicContact CB-CD1 4.09Å; K453-Y488 HydrophobicContact CB-CE1 3.86Å; K453-Y488 HydrophobicContact CD-CE1 3.9Å; K453-Y488 HydrophobicContact CD-CE2 4.3Å; K453-Y488 WeakPolarHBondContact CD-OH 3.35Å; K453-Y488 WeakPolarHBondContact CE-OH 3.32Å; K453-Y488 HydrophobicContact CG-CD1 4.31Å; K453-Y488 HydrophobicContact CG-CE1 3.82Å; K453-Y488 HydrophobicContact CG-CE2 4.07Å; K453-Y488 PolarHBondContact NZ-OH 3.45Å; L458-Y488 HydrophobicContact CD1-CE1 4.01Å; L475-Y488 HydrophobicContact CD2-CD1 3.62Å; L475-Y488 HydrophobicContact CD2-CE1 3.98Å; F477-Y488 HydrophobicContact CE2-CE1 4.44Å; F477-Y488 AromaticContact CZ-CE1 3.67Å; F477-Y488 HydrophobicContact CZ-CE1 3.67Å; F477-Y488 AromaticContact CZ-CZ 3.78Å; D484-Y488 VanDerWaalsContact O-CE2 3.28Å; D484-Y488 WeakPolarHBondContact O-CE2 3.4Å; D484-Y488 PolarHBondContact O-OH 2.74Å; G486-Y488 WeakPolarHBondContact O-CD2 3.47Å; Y488-S503 CarbonylContact O-C 3.59Å; Y488-S503 VanDerWaalsContact O-CA 3.29Å; Y488-S503 WeakPolarHBondContact O-CA 3.19Å; Y488-C504 PolarHBondContact N-O 2.9Å; Y488-C504 PolarHBondContact O-N 2.85Å; Y488-V506 HydrophobicContact CD2-CB 4.04Å; Y488-V506 HydrophobicContact CD2-CG2 3.49Å; Y488-V506 VanDerWaalsContact CD2-CG2 3.49Å; Y488-V506 HydrophobicContact CE2-CB 3.93Å; Y488-V506 HydrophobicContact CE2-CG2 3.76Å; Y488-V506 HydrophobicContact CG-CG2 4.45Å |
| 489 | S | 94.5 | Very high | 91 | Very high | 11 Ų | 11 | 46 Ų | 46 | 8% | 0.077 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 151.9 | 172.3 | 67.1 | 0 | 0 | 0 | 0 | 110.4 | Y452 Q500 | Y452-S489 PolarHBondContact N-O 2.93Å; Y452-S489 PolarHBondContact O-N 3.01Å; S489-Q500 PolarHBondContact OG-NE2 2.85Å; S489-Q500 VanDerWaalsContact OG-NE2 3.16Å |
| 490 | C | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 139.8 | 170.7 | 54.5 | 0 | 0 | 0 | 0 | 111.1 | F417 A437 V449 E450 W451 S501 | F417-C490 WeakPolarHBondContact CE1-SG 3.44Å; F417-C490 WeakPolarHBondContact CE2-O 3.41Å; F417-C490 HydrophobicContact CZ-CB 4.3Å; F417-C490 WeakPolarHBondContact CZ-O 3.23Å; F417-C490 WeakPolarHBondContact CZ-SG 3.28Å; A437-C490 VanDerWaalsContact CB-SG 3.51Å; V449-C490 HydrophobicContact CG1-CB 3.91Å; E450-C490 CarbonylContact O-C 3.6Å; E450-C490 WeakPolarHBondContact O-CA 3.28Å; E450-C490 WeakPolarHBondContact O-CB 3.35Å; W451-C490 HydrophobicContact CD2-CB 3.78Å; W451-C490 HydrophobicContact CE3-CB 3.81Å; W451-C490 HydrophobicContact CG-CB 4.35Å; W451-C490 HydrophobicContact CH2-CB 4.21Å; W451-C490 HydrophobicContact CZ2-CB 4.18Å; W451-C490 HydrophobicContact CZ3-CB 4.02Å; C490-S501 PolarHBondContact N-OG 2.86Å; C490-S501 PolarHBondContact O-N 2.88Å |
| 491 | V | 94.7 | Very high | 91.3 | Very high | 10 Ų | 10 | 46.9 Ų | 46.9 | 6% | 0.061 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.1 | 176.7 | 179 | 0 | 0 | 0 | 0 | 107.7 | V449 E450 Y452 Q498 Q500 | V449-V491 WeakPolarHBondContact CA-O 3.29Å; E450-V491 PolarHBondContact N-O 2.71Å; E450-V491 PolarHBondContact O-N 2.7Å; Y452-V491 HydrophobicContact CD2-CB 4.33Å; Y452-V491 HydrophobicContact CD2-CG2 3.75Å; Y452-V491 HydrophobicContact CE2-CB 3.94Å; Y452-V491 HydrophobicContact CE2-CG2 3.64Å; V491-Q498 VanDerWaalsContact CG1-CD 3.42Å; V491-Q498 HydrophobicContact CG1-CG 3.52Å; V491-Q500 HydrophobicContact CG2-CB 4.39Å; V491-Q500 HydrophobicContact CG2-CG 3.98Å |
| 492 | A | 93.5 | Very high | 91.5 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 130.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | P415 F417 V439 L447 V448 V449 Q498 D499 | P415-A492 HydrophobicContact CB-CB 3.99Å; P415-A492 WeakPolarHBondContact CG-O 3.28Å; F417-A492 HydrophobicContact CE2-CB 3.79Å; F417-A492 HydrophobicContact CZ-CB 3.66Å; V439-A492 HydrophobicContact CB-CB 4.35Å; V439-A492 HydrophobicContact CG1-CB 4.49Å; V439-A492 HydrophobicContact CG2-CB 3.83Å; L447-A492 HydrophobicContact CD1-CB 4.17Å; V448-A492 CarbonylContact O-C 3.58Å; V448-A492 WeakPolarHBondContact O-CA 3.33Å; V449-A492 HydrophobicContact CG2-CB 4Å; A492-Q498 CarbonylContact O-C 3.54Å; A492-Q498 VanDerWaalsContact O-CA 3.32Å; A492-Q498 WeakPolarHBondContact O-CA 3.31Å; A492-D499 PolarHBondContact N-O 2.93Å; A492-D499 PolarHBondContact O-N 2.88Å |
| 493 | T | 92.2 | Very high | 91.7 | Very high | 51 Ų | 51 | 45.5 Ų | 45.5 | 31% | 0.313 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.4 | 136 | -175.8 | -49.4 | 0 | 0 | 0 | 0 | 109.9 | L447 V448 Q498 | L447-T493 WeakPolarHBondContact CA-O 3.27Å; V448-T493 PolarHBondContact N-O 3.21Å; V448-T493 PolarHBondContact O-N 2.86Å; T493-Q498 HydrophobicContact CG2-CB 4.34Å; T493-Q498 PolarHBondContact OG1-NE2 2.85Å |
| 494 | N | 90.4 | Very high | 92 | Very high | 14 Ų | 14 | 39.6 Ų | 39.6 | 8% | 0.075 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | -177.4 | 172.4 | 80.2 | -0.2 | 0 | 0 | 0 | 111.8 | G413 P415 D444 L447 Q496 G497 | G413-N494 PolarHBondContact O-ND2 2.92Å; P415-N494 WeakPolarHBondContact CD-OD1 3.3Å; D444-N494 VanDerWaalsContact OD2-CB 3.28Å; D444-N494 WeakPolarHBondContact OD2-CB 3.18Å; D444-N494 PolarHBondContact OD2-ND2 3.5Å; L447-N494 HydrophobicContact CB-CB 4.35Å; L447-N494 HydrophobicContact CD1-CB 4.08Å; N494-Q496 PolarHBondContact O-N 2.73Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.47Å; N494-Q496 PolarHBondContact OD1-N 3.23Å; N494-G497 PolarHBondContact N-O 3.36Å; N494-G497 PolarHBondContact O-N 3.5Å; N494-G497 PolarHBondContact OD1-N 3.18Å; N494-G497 VanDerWaalsContact OD1-N 3.08Å |
| 495 | S | 86.8 | Confident | 92.1 | Very high | 82 Ų | 82 | 42.3 Ų | 42.3 | 57% | 0.573 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -15.8 | 179.5 | 66.8 | 0 | 0 | 0 | 0 | 116 | T446 | T446-S495 PolarHBondContact OG1-N 3.01Å; T446-S495 VanDerWaalsContact OG1-N 3.16Å |
| 496 | Q | 83.8 | Confident | 92.2 | Very high | 74 Ų | 74 | 39.2 Ų | 39.2 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | -6.9 | -178.6 | -56.4 | -56 | -75.7 | 0 | 0 | 113.6 | N494 | N494-Q496 PolarHBondContact O-N 2.73Å; N494-Q496 WeakPolarHBondContact OD1-CA 3.47Å; N494-Q496 PolarHBondContact OD1-N 3.23Å |
| 497 | G | 88.5 | Confident | 92.2 | Very high | 30 Ų | 30 | 40.9 Ų | 40.9 | 31% | 0.309 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 158.6 | -164 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | P415 N494 | P415-G497 VanDerWaalsContact CD-C 3.42Å; P415-G497 WeakPolarHBondContact CD-O 3.26Å; P415-G497 WeakPolarHBondContact CG-O 3.48Å; N494-G497 PolarHBondContact N-O 3.36Å; N494-G497 PolarHBondContact O-N 3.5Å; N494-G497 PolarHBondContact OD1-N 3.18Å; N494-G497 VanDerWaalsContact OD1-N 3.08Å |
| 498 | Q | 92.6 | Very high | 91.9 | Very high | 134 Ų | 134 | 38.4 Ų | 38.4 | 63% | 0.626 | 22% | 0.22 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 146.4 | 178.3 | -177.7 | 174.1 | 85.9 | 0 | 0 | 110.1 | V491 A492 T493 | V491-Q498 VanDerWaalsContact CG1-CD 3.42Å; V491-Q498 HydrophobicContact CG1-CG 3.52Å; A492-Q498 CarbonylContact O-C 3.54Å; A492-Q498 VanDerWaalsContact O-CA 3.32Å; A492-Q498 WeakPolarHBondContact O-CA 3.31Å; T493-Q498 HydrophobicContact CG2-CB 4.34Å; T493-Q498 PolarHBondContact OG1-NE2 2.85Å |
| 499 | D | 93.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 43 Ų | 43 | 27% | 0.273 | 24% | 0.244 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 154.8 | 174.4 | -175.1 | 30.7 | 0 | 0 | 0 | 109.6 | P415 Q416 F417 A492 | P415-D499 HydrophobicContact CB-CB 4.29Å; P415-D499 HydrophobicContact CG-CB 4Å; P415-D499 VanDerWaalsContact O-CB 3.29Å; P415-D499 WeakPolarHBondContact O-CB 3.38Å; Q416-D499 VanDerWaalsContact CA-OD2 3.3Å; Q416-D499 WeakPolarHBondContact CA-OD2 3.28Å; F417-D499 HydrophobicContact CD2-CB 4.38Å; F417-D499 WeakPolarHBondContact CD2-OD2 3.09Å; F417-D499 PolarHBondContact N-OD2 2.85Å; A492-D499 PolarHBondContact N-O 2.93Å; A492-D499 PolarHBondContact O-N 2.88Å |
| 500 | Q | 93.7 | Very high | 90.4 | Very high | 112 Ų | 112 | 46.2 Ų | 46.2 | 52% | 0.523 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 135.6 | -177.3 | -175.4 | 175.2 | 14.6 | 0 | 0 | 110.2 | S489 V491 | S489-Q500 PolarHBondContact OG-NE2 2.85Å; S489-Q500 VanDerWaalsContact OG-NE2 3.16Å; V491-Q500 HydrophobicContact CG2-CB 4.39Å; V491-Q500 HydrophobicContact CG2-CG 3.98Å |
| 501 | S | 92.9 | Very high | 89.1 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 6% | 0.056 | 30% | 0.297 | C | S | . | . | P | Polyproline II helix | trans | -69 | 159.9 | 176.3 | 80.1 | 0 | 0 | 0 | 0 | 112 | F417 P421 C490 | F417-S501 VanDerWaalsContact CE2-N 3.35Å; P421-S501 VanDerWaalsContact CD-CB 3.44Å; P421-S501 WeakPolarHBondContact CD-OG 3.14Å; C490-S501 PolarHBondContact N-OG 2.86Å; C490-S501 PolarHBondContact O-N 2.88Å |
| 502 | S | 92 | Very high | 87.4 | Confident | 56 Ų | 56 | 62.3 Ų | 62.3 | 39% | 0.392 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 153.3 | 158.2 | 61.7 | 0 | 0 | 0 | 0 | 110.2 | H420 | H420-S502 WeakPolarHBondContact CB-OG 3.32Š|
| 503 | S | 91.1 | Very high | 85.5 | Confident | 58 Ų | 58 | 65.6 Ų | 65.6 | 41% | 0.406 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -71 | 148 | 171.6 | 49.3 | 0 | 0 | 0 | 0 | 111.7 | Y488 | Y488-S503 CarbonylContact O-C 3.59Å; Y488-S503 VanDerWaalsContact O-CA 3.29Å; Y488-S503 WeakPolarHBondContact O-CA 3.19Å |
| 504 | C | 92.6 | Very high | 83.7 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.007 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 113.9 | 161.9 | 174.9 | 0 | 0 | 0 | 0 | 107.7 | P421 V422 I435 D487 Y488 V506 | P421-C504 HydrophobicContact CB-CB 3.71Å; V422-C504 VanDerWaalsContact O-CA 3.25Å; V422-C504 WeakPolarHBondContact O-CA 3.27Å; V422-C504 WeakPolarHBondContact O-CB 3.09Å; V422-C504 PolarHBondContact O-SG 3.03Å; I435-C504 HydrophobicContact CD1-CB 4.48Å; I435-C504 HydrophobicContact CG2-CB 3.98Å; D487-C504 WeakPolarHBondContact CA-O 3.37Å; Y488-C504 PolarHBondContact N-O 2.9Å; Y488-C504 PolarHBondContact O-N 2.85Å; C504-V506 PolarHBondContact O-N 2.91Å |
| 505 | H | 93.8 | Very high | 81.8 | Confident | 63 Ų | 63 | 72.1 Ų | 72.1 | 29% | 0.292 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 104.8 | 175 | -169.4 | 73.8 | 0 | 0 | 0 | 109.9 | G423 Q424 L425 D487 T507 | G423-H505 PolarHBondContact O-N 2.65Å; Q424-H505 CarbonylContact C-O 3.48Å; Q424-H505 WeakPolarHBondContact CA-O 3.44Å; Q424-H505 HydrophobicContact CG-CB 4.42Å; Q424-H505 WeakPolarHBondContact CG-O 3.45Å; L425-H505 PolarHBondContact N-O 2.75Å; D487-H505 WeakPolarHBondContact OD1-CB 3.32Å; D487-H505 IonicContact OD1-CG 3.55Å; D487-H505 IonicContact OD1-ND1 2.75Å; D487-H505 PolarHBondContact OD1-ND1 3.26Å; D487-H505 IonicContact OD2-ND1 3.52Å; H505-T507 PolarHBondContact CD2-OG1 2.85Å; H505-T507 VanDerWaalsContact CD2-OG1 3.25Å |
| 506 | V | 93.2 | Very high | 80.4 | Confident | 1 Ų | 1 | 71.8 Ų | 71.8 | 1% | 0.006 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 112.1 | 179.1 | 178.4 | 0 | 0 | 0 | 0 | 109 | L425 I435 M480 N485 G486 Y488 C504 I508 | L425-V506 HydrophobicContact CB-CG2 4.37Å; L425-V506 HydrophobicContact CD2-CG2 4.43Å; L425-V506 WeakPolarHBondContact O-CA 3.16Å; I435-V506 HydrophobicContact CD1-CG2 3.76Å; M480-V506 HydrophobicContact SD-CG1 3.99Å; N485-V506 WeakPolarHBondContact CA-O 3.27Å; N485-V506 PolarHBondContact OD1-O 3.4Å; N485-V506 VanDerWaalsContact OD1-O 3.12Å; G486-V506 PolarHBondContact N-O 2.8Å; G486-V506 PolarHBondContact O-N 3.12Å; Y488-V506 HydrophobicContact CD2-CB 4.04Å; Y488-V506 HydrophobicContact CD2-CG2 3.49Å; Y488-V506 VanDerWaalsContact CD2-CG2 3.49Å; Y488-V506 HydrophobicContact CE2-CB 3.93Å; Y488-V506 HydrophobicContact CE2-CG2 3.76Å; Y488-V506 HydrophobicContact CG-CG2 4.45Å; C504-V506 PolarHBondContact O-N 2.91Å; V506-I508 HydrophobicContact CG1-CD1 4.17Å; V506-I508 HydrophobicContact CG1-CG1 4.05Å |
| 507 | T | 92.3 | Very high | 79 | Confident | 39 Ų | 39 | 75.3 Ų | 75.3 | 24% | 0.239 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 118.9 | 174.8 | -46.1 | 0 | 0 | 0 | 0 | 109.2 | L425 T426 I427 H505 | L425-T507 PolarHBondContact O-N 3.41Å; T426-T507 VanDerWaalsContact CA-O 3.29Å; T426-T507 WeakPolarHBondContact CA-O 3.45Å; I427-T507 PolarHBondContact N-O 3.15Å; H505-T507 PolarHBondContact CD2-OG1 2.85Å; H505-T507 VanDerWaalsContact CD2-OG1 3.25Å |
| 508 | I | 89.9 | Confident | 77.7 | Confident | 11 Ų | 11 | 77.7 Ų | 77.7 | 6% | 0.056 | 43% | 0.433 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 132 | -179.4 | -65.9 | 161.4 | 0 | 0 | 0 | 109.2 | I427 E429 M480 N481 D484 V506 P510 | I427-I508 WeakPolarHBondContact O-CA 3.38Å; E429-I508 HydrophobicContact CB-CG2 4.16Å; M480-I508 HydrophobicContact CB-CD1 3.95Å; M480-I508 HydrophobicContact CB-CG1 4.29Å; M480-I508 HydrophobicContact CE-CD1 4.39Å; M480-I508 HydrophobicContact CG-CD1 4.4Å; M480-I508 HydrophobicContact SD-CD1 3.75Å; M480-I508 HydrophobicContact SD-CG1 4.08Å; N481-I508 WeakPolarHBondContact O-CD1 3.49Å; D484-I508 HydrophobicContact CB-CD1 3.53Å; V506-I508 HydrophobicContact CG1-CD1 4.17Å; V506-I508 HydrophobicContact CG1-CG1 4.05Å; I508-P510 WeakPolarHBondContact O-CD 3.32Å |
| 509 | I | 85.1 | Confident | 76.1 | Confident | 98 Ų | 98 | 77.7 Ų | 77.7 | 50% | 0.503 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 110.7 | 174.8 | -57.2 | 177.3 | 0 | 0 | 0 | 106.8 | T426 I427 A428 E429 | T426-I509 HydrophobicContact CG2-CD1 3.68Å; T426-I509 HydrophobicContact CG2-CG1 3.81Å; I427-I509 PolarHBondContact O-N 2.82Å; A428-I509 WeakPolarHBondContact CA-O 3.49Å; E429-I509 PolarHBondContact N-O 2.82Å |
| 510 | P | 72.7 | Confident | 74.3 | Confident | 78 Ų | 78 | 78.6 Ų | 78.6 | 51% | 0.506 | 44% | 0.437 | S | S | . | . | trans | -65.6 | 144.9 | 174.7 | 29 | -34.6 | 0 | 0 | 0 | 109.9 | I508 E512 | I508-P510 WeakPolarHBondContact O-CD 3.32Å; P510-E512 PolarHBondContact O-N 3.4Å | ||
| 511 | E | 65.8 | Low | 72.8 | Confident | 145 Ų | 145 | 77.5 Ų | 77.5 | 68% | 0.678 | 44% | 0.44 | S | S | * | . | trans | -77.6 | 118.9 | 173.8 | -168.4 | 173.4 | -161.3 | 0 | 0 | 109.4 | G513 V514 | E511-G513 VanDerWaalsContact C-N 3.31Å; E511-G513 PolarHBondContact O-N 3.44Å; E511-V514 PolarHBondContact O-N 3.5Å | ||
| 512 | E | 58.6 | Low | 71.3 | Confident | 202 Ų | 202 | 85 Ų | 85 | 94% | 0.944 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | 84.4 | -176.8 | -73.1 | -168.5 | 168.6 | 0 | 0 | 112.1 | P510 | P510-E512 PolarHBondContact O-N 3.4Š|
| 513 | G | 54.6 | Low | 69.7 | Low | 70 Ų | 70 | 91.6 Ų | 91.6 | 72% | 0.722 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 172.7 | -25.1 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | E511 | E511-G513 VanDerWaalsContact C-N 3.31Å; E511-G513 PolarHBondContact O-N 3.44Å |
| 514 | V | 52.9 | Low | 68.4 | Low | 101 Ų | 101 | 90.8 Ų | 90.8 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | trans | -94.1 | 123.5 | 177.7 | -174.7 | 0 | 0 | 0 | 0 | 110 | E511 T516 | E511-V514 PolarHBondContact O-N 3.5Å; V514-T516 HydrophobicContact CG1-CG2 4.19Å | ||
| 515 | V | 50.8 | Low | 66.8 | Low | 100 Ų | 100 | 93 Ų | 93 | 61% | 0.606 | 50% | 0.504 | S | S | * | . | trans | -102.5 | 98 | 176 | -169.9 | 0 | 0 | 0 | 0 | 108.4 | Q519 | V515-Q519 HydrophobicContact CG1-CG 3.54Š| ||
| 516 | T | 57 | Low | 65.5 | Low | 76 Ų | 76 | 94.8 Ų | 94.8 | 47% | 0.466 | 52% | 0.515 | S | S | . | . | trans | -75.2 | -38.8 | -176.7 | 50.7 | 0 | 0 | 0 | 0 | 112.4 | E482 V514 T518 | E482-T516 WeakPolarHBondContact OE1-CB 3.49Å; E482-T516 WeakPolarHBondContact OE1-CG2 3.3Å; E482-T516 PolarHBondContact OE1-OG1 3.28Å; V514-T516 HydrophobicContact CG1-CG2 4.19Å; T516-T518 PolarHBondContact O-N 2.96Å | ||
| 517 | E | 55.5 | Low | 64.4 | Low | 147 Ų | 147 | 96.9 Ų | 96.9 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -67 | 127.6 | 170.6 | -175.2 | -177.1 | -140.9 | 0 | 0 | 110.9 | Q519 | E517-Q519 PolarHBondContact O-N 3.25Å; E517-Q519 PolarHBondContact O-NE2 3.23Å |
| 518 | T | 61.2 | Low | 63.2 | Low | 81 Ų | 81 | 98.3 Ų | 98.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | trans | -69.5 | 107.8 | -176.5 | -64.5 | 0 | 0 | 0 | 0 | 111.9 | T516 L520 M525 | T516-T518 PolarHBondContact O-N 2.96Å; T518-L520 HydrophobicContact CG2-CB 3.88Å; T518-L520 HydrophobicContact CG2-CD1 4.04Å; T518-L520 HydrophobicContact CG2-CG 4.02Å; T518-L520 PolarHBondContact O-N 3.01Å; T518-M525 HydrophobicContact CG2-CE 4.11Å; T518-M525 HydrophobicContact CG2-CG 4.19Å; T518-M525 HydrophobicContact CG2-SD 3.45Å; T518-M525 WeakPolarHBondContact CG2-SD 3.08Å | ||
| 519 | Q | 57.7 | Low | 62.1 | Low | 133 Ų | 133 | 101 Ų | 101 | 62% | 0.621 | 55% | 0.553 | S | S | * | * | trans | -71.2 | 20.9 | -179.6 | -58.3 | -58.4 | -59.5 | 0 | 0 | 115.1 | V515 E517 | V515-Q519 HydrophobicContact CG1-CG 3.54Å; E517-Q519 PolarHBondContact O-N 3.25Å; E517-Q519 PolarHBondContact O-NE2 3.23Å | ||
| 520 | L | 57.1 | Low | 61.6 | Low | 70 Ų | 70 | 97 Ų | 97 | 37% | 0.366 | 53% | 0.534 | S | S | . | . | S | Bend | trans | -100.4 | 130.7 | 173 | -62.8 | 171.2 | 0 | 0 | 0 | 108 | T518 E522 M525 | T518-L520 HydrophobicContact CG2-CB 3.88Å; T518-L520 HydrophobicContact CG2-CD1 4.04Å; T518-L520 HydrophobicContact CG2-CG 4.02Å; T518-L520 PolarHBondContact O-N 3.01Å; L520-E522 PolarHBondContact O-N 3.26Å; L520-M525 HydrophobicContact CB-CG 3.39Å; L520-M525 HydrophobicContact CB-SD 4.44Å; L520-M525 HydrophobicContact CD1-CG 4.06Å; L520-M525 HydrophobicContact CG-CG 4.37Å |
| 521 | P | 61.3 | Low | 61.8 | Low | 90 Ų | 90 | 99.5 Ų | 99.5 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | trans | -55.9 | 129.7 | 178.9 | -24.9 | 33.6 | 0 | 0 | 0 | 111.4 | E523 S524 M525 | P521-E523 PolarHBondContact O-N 2.89Å; P521-S524 CarbonylContact O-C 3.44Å; P521-S524 WeakPolarHBondContact O-CA 3.13Å; P521-S524 WeakPolarHBondContact O-CB 3.38Å; P521-S524 PolarHBondContact O-N 3.14Å; P521-M525 PolarHBondContact O-N 3.09Å | ||
| 522 | E | 61.4 | Low | 61.9 | Low | 165 Ų | 165 | 97.8 Ų | 97.8 | 77% | 0.771 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.5 | -47.1 | -166.1 | -168.4 | 177.2 | -155.8 | 0 | 0 | 113.4 | L520 S524 M525 | L520-E522 PolarHBondContact O-N 3.26Å; E522-S524 PolarHBondContact O-N 3.44Å; E522-M525 HydrophobicContact CB-CE 4.3Å; E522-M525 HydrophobicContact CG-CE 4.23Å; E522-M525 PolarHBondContact O-N 3.42Å |
| 523 | E | 59.6 | Low | 62.6 | Low | 194 Ų | 194 | 93.2 Ų | 93.2 | 91% | 0.907 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.8 | -19.1 | 175.7 | -59.1 | -169 | 140.9 | 0 | 0 | 113.7 | P521 | P521-E523 PolarHBondContact O-N 2.89Å |
| 524 | S | 63.9 | Low | 63.5 | Low | 41 Ų | 41 | 92 Ų | 92 | 29% | 0.287 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -106 | -8.4 | -177.7 | -158.6 | 0 | 0 | 0 | 0 | 113.5 | P521 E522 A527 N528 | P521-S524 CarbonylContact O-C 3.44Å; P521-S524 WeakPolarHBondContact O-CA 3.13Å; P521-S524 WeakPolarHBondContact O-CB 3.38Å; P521-S524 PolarHBondContact O-N 3.14Å; E522-S524 PolarHBondContact O-N 3.44Å; S524-A527 PolarHBondContact O-N 2.87Å; S524-N528 VanDerWaalsContact O-CB 3.29Å; S524-N528 WeakPolarHBondContact O-CB 3.26Å; S524-N528 PolarHBondContact O-N 3.33Å; S524-N528 PolarHBondContact O-ND2 3.32Å; S524-N528 PolarHBondContact OG-ND2 2.88Å; S524-N528 PolarHBondContact OG-OD1 2.81Å |
| 525 | M | 58 | Low | 64.4 | Low | 49 Ų | 49 | 92.6 Ų | 92.6 | 24% | 0.241 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -56.1 | -62 | -177.7 | -105.3 | -164.3 | -96.6 | 0 | 0 | 111.8 | T518 L520 P521 E522 A527 N528 L529 | T518-M525 HydrophobicContact CG2-CE 4.11Å; T518-M525 HydrophobicContact CG2-CG 4.19Å; T518-M525 HydrophobicContact CG2-SD 3.45Å; T518-M525 WeakPolarHBondContact CG2-SD 3.08Å; L520-M525 HydrophobicContact CB-CG 3.39Å; L520-M525 HydrophobicContact CB-SD 4.44Å; L520-M525 HydrophobicContact CD1-CG 4.06Å; L520-M525 HydrophobicContact CG-CG 4.37Å; P521-M525 PolarHBondContact O-N 3.09Å; E522-M525 HydrophobicContact CB-CE 4.3Å; E522-M525 HydrophobicContact CG-CE 4.23Å; E522-M525 PolarHBondContact O-N 3.42Å; M525-A527 PolarHBondContact O-N 3.3Å; M525-N528 PolarHBondContact O-N 2.94Å; M525-L529 WeakPolarHBondContact O-CB 3.03Å; M525-L529 WeakPolarHBondContact O-CG 2.96Å; M525-L529 PolarHBondContact O-N 3.12Å |
| 526 | I | 66 | Low | 65.2 | Low | 99 Ų | 99 | 90.7 Ų | 90.7 | 51% | 0.508 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.7 | -34.8 | -175.5 | -63.1 | 160.5 | 0 | 0 | 0 | 110.5 | T27 A530 | T27-I526 HydrophobicContact CG2-CD1 3.7Å; I526-A530 WeakPolarHBondContact O-CB 3.46Å; I526-A530 PolarHBondContact O-N 3.08Å |
| 527 | A | 71 | Confident | 65.8 | Low | 45 Ų | 45 | 91.9 Ų | 91.9 | 37% | 0.372 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68 | -46.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | S524 M525 M531 | S524-A527 PolarHBondContact O-N 2.87Å; M525-A527 PolarHBondContact O-N 3.3Å; A527-M531 VanDerWaalsContact O-CB 3.27Å; A527-M531 WeakPolarHBondContact O-CB 3.34Å; A527-M531 WeakPolarHBondContact O-CG 3.34Å; A527-M531 PolarHBondContact O-N 2.91Å |
| 528 | N | 66.6 | Low | 66.4 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.2 | -37.6 | -179.5 | -68.4 | -19.9 | 0 | 0 | 0 | 111.9 | S524 M525 M532 | S524-N528 VanDerWaalsContact O-CB 3.29Å; S524-N528 WeakPolarHBondContact O-CB 3.26Å; S524-N528 PolarHBondContact O-N 3.33Å; S524-N528 PolarHBondContact O-ND2 3.32Å; S524-N528 PolarHBondContact OG-ND2 2.88Å; S524-N528 PolarHBondContact OG-OD1 2.81Å; M525-N528 PolarHBondContact O-N 2.94Å; N528-M532 WeakPolarHBondContact O-CB 3.35Å; N528-M532 PolarHBondContact O-N 3.03Å |
| 529 | L | 66.7 | Low | 66.6 | Low | 69 Ų | 69 | 93.6 Ų | 93.6 | 36% | 0.361 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.7 | -54.8 | 172.1 | -73.4 | 167.4 | 0 | 0 | 0 | 110.3 | M525 M531 M532 E533 | M525-L529 WeakPolarHBondContact O-CB 3.03Å; M525-L529 WeakPolarHBondContact O-CG 2.96Å; M525-L529 PolarHBondContact O-N 3.12Å; L529-M531 VanDerWaalsContact C-N 3.32Å; L529-M531 PolarHBondContact O-N 2.78Å; L529-M532 HydrophobicContact CD2-CE 4.45Å; L529-M532 CarbonylContact O-C 3.59Å; L529-M532 PolarHBondContact O-N 2.8Å; L529-E533 WeakPolarHBondContact O-CB 3.49Å; L529-E533 VanDerWaalsContact O-CG 3.32Å; L529-E533 WeakPolarHBondContact O-CG 3.4Å; L529-E533 PolarHBondContact O-N 3.02Å |
| 530 | A | 76 | Confident | 66.5 | Low | 13 Ų | 13 | 89 Ų | 89 | 11% | 0.107 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -62.6 | -34.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | L30 I526 D534 | L30-A530 HydrophobicContact CD1-CB 3.63Å; I526-A530 WeakPolarHBondContact O-CB 3.46Å; I526-A530 PolarHBondContact O-N 3.08Å; A530-D534 WeakPolarHBondContact O-CB 3.37Å; A530-D534 PolarHBondContact O-N 3.43Å |
| 531 | M | 76.8 | Confident | 66.6 | Low | 130 Ų | 130 | 89.5 Ų | 89.5 | 64% | 0.64 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -71.4 | -31.5 | 173.2 | -72.6 | -177.5 | 87.1 | 0 | 0 | 112.6 | A527 L529 H535 | A527-M531 VanDerWaalsContact O-CB 3.27Å; A527-M531 WeakPolarHBondContact O-CB 3.34Å; A527-M531 WeakPolarHBondContact O-CG 3.34Å; A527-M531 PolarHBondContact O-N 2.91Å; L529-M531 VanDerWaalsContact C-N 3.32Å; L529-M531 PolarHBondContact O-N 2.78Å; M531-H535 WeakPolarHBondContact O-CB 3.32Å; M531-H535 PolarHBondContact O-N 3.33Å |
| 532 | M | 68.4 | Low | 66.3 | Low | 109 Ų | 109 | 87.9 Ų | 87.9 | 54% | 0.537 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -76.1 | -39.5 | 175.3 | -172.4 | 167.6 | 65.3 | 0 | 0 | 111.5 | N528 L529 H535 L536 | N528-M532 WeakPolarHBondContact O-CB 3.35Å; N528-M532 PolarHBondContact O-N 3.03Å; L529-M532 HydrophobicContact CD2-CE 4.45Å; L529-M532 CarbonylContact O-C 3.59Å; L529-M532 PolarHBondContact O-N 2.8Å; M532-H535 PolarHBondContact O-N 2.96Å; M532-L536 HydrophobicContact CG-CD1 4.17Å; M532-L536 WeakPolarHBondContact O-CB 3.35Å; M532-L536 WeakPolarHBondContact O-CG 3.48Å; M532-L536 PolarHBondContact O-N 3.09Å |
| 533 | E | 71.6 | Confident | 65.9 | Low | 107 Ų | 107 | 88.8 Ų | 88.8 | 50% | 0.5 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -59.6 | -52.3 | 170.2 | -71.3 | 167.6 | 171.6 | 0 | 0 | 110.6 | L529 H535 L536 V537 | L529-E533 WeakPolarHBondContact O-CB 3.49Å; L529-E533 VanDerWaalsContact O-CG 3.32Å; L529-E533 WeakPolarHBondContact O-CG 3.4Å; L529-E533 PolarHBondContact O-N 3.02Å; E533-H535 VanDerWaalsContact C-N 3.29Å; E533-H535 PolarHBondContact O-N 2.85Å; E533-L536 PolarHBondContact O-N 2.83Å; E533-L536 VanDerWaalsContact O-N 3.12Å; E533-V537 WeakPolarHBondContact O-CB 3.33Å; E533-V537 WeakPolarHBondContact O-CG2 3.29Å; E533-V537 PolarHBondContact O-N 3.45Å |
| 534 | D | 74.8 | Confident | 65.5 | Low | 44 Ų | 44 | 82.9 Ų | 82.9 | 24% | 0.235 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -57.7 | -38.6 | 174.2 | 174 | 55.6 | 0 | 0 | 0 | 112.1 | A530 R538 | A530-D534 WeakPolarHBondContact O-CB 3.37Å; A530-D534 PolarHBondContact O-N 3.43Å; D534-R538 VanDerWaalsContact CG-CZ 3.47Å; D534-R538 VanDerWaalsContact CG-NE 3.26Å; D534-R538 VanDerWaalsContact O-CB 3.27Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CG 3.2Å; D534-R538 PolarHBondContact O-N 2.73Å; D534-R538 IonicContact OD1-CZ 2.69Å; D534-R538 IonicContact OD1-NE 3.77Å; D534-R538 PolarHBondContact OD1-NE 2.99Å; D534-R538 IonicContact OD1-NH2 3.17Å; D534-R538 PolarHBondContact OD1-NH2 2.82Å; D534-R538 IonicContact OD2-CZ 2.65Å; D534-R538 IonicContact OD2-NE 2.86Å; D534-R538 PolarHBondContact OD2-NE 2.82Å; D534-R538 IonicContact OD2-NH1 2.71Å; D534-R538 IonicContact OD2-NH2 3Å; D534-R538 PolarHBondContact OD2-NH2 3.07Å |
| 535 | H | 71.4 | Confident | 64.8 | Low | 114 Ų | 114 | 85.6 Ų | 85.6 | 53% | 0.528 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -72.1 | -34.1 | 175 | -173.4 | -113.2 | 0 | 0 | 0 | 113.2 | M531 M532 E533 N539 | M531-H535 WeakPolarHBondContact O-CB 3.32Å; M531-H535 PolarHBondContact O-N 3.33Å; M532-H535 PolarHBondContact O-N 2.96Å; E533-H535 VanDerWaalsContact C-N 3.29Å; E533-H535 PolarHBondContact O-N 2.85Å; H535-N539 PolarHBondContact CD2-ND2 2.9Å; H535-N539 VanDerWaalsContact CD2-ND2 3.26Å; H535-N539 PolarHBondContact CE1-ND2 3.48Å; H535-N539 PolarHBondContact ND1-ND2 2.95Å; H535-N539 PolarHBondContact NE2-ND2 2.85Å; H535-N539 WeakPolarHBondContact O-CB 3.38Å; H535-N539 VanDerWaalsContact O-CG 3.31Å; H535-N539 PolarHBondContact O-N 2.8Å; H535-N539 VanDerWaalsContact O-N 3.09Å; H535-N539 PolarHBondContact O-ND2 3.34Å |
| 536 | L | 68.1 | Low | 64.2 | Low | 59 Ų | 59 | 90 Ų | 90 | 31% | 0.309 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -69.9 | -43.8 | 173.6 | -73.6 | 165.5 | 0 | 0 | 0 | 110.8 | M532 E533 G540 L541 D542 | M532-L536 HydrophobicContact CG-CD1 4.17Å; M532-L536 WeakPolarHBondContact O-CB 3.35Å; M532-L536 WeakPolarHBondContact O-CG 3.48Å; M532-L536 PolarHBondContact O-N 3.09Å; E533-L536 PolarHBondContact O-N 2.83Å; E533-L536 VanDerWaalsContact O-N 3.12Å; L536-G540 CarbonylContact O-C 3.59Å; L536-G540 WeakPolarHBondContact O-CA 3.46Å; L536-G540 PolarHBondContact O-N 2.94Å; L536-L541 HydrophobicContact CD2-CB 3.86Å; L536-L541 PolarHBondContact O-N 2.84Å; L536-D542 PolarHBondContact O-N 2.85Å |
| 537 | V | 69 | Low | 63.2 | Low | 101 Ų | 101 | 94.7 Ų | 94.7 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61.5 | -49.4 | 174.3 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | E533 N539 G540 | E533-V537 WeakPolarHBondContact O-CB 3.33Å; E533-V537 WeakPolarHBondContact O-CG2 3.29Å; E533-V537 PolarHBondContact O-N 3.45Å; V537-N539 PolarHBondContact O-N 2.7Å; V537-G540 PolarHBondContact O-N 2.88Å |
| 538 | R | 68.6 | Low | 62.3 | Low | 184 Ų | 184 | 99.3 Ų | 99.3 | 69% | 0.694 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.1 | -38.1 | 179.6 | -75.5 | 174.7 | -164.3 | -167.7 | 9 | 114 | D534 G540 | D534-R538 VanDerWaalsContact CG-CZ 3.47Å; D534-R538 VanDerWaalsContact CG-NE 3.26Å; D534-R538 VanDerWaalsContact O-CB 3.27Å; D534-R538 WeakPolarHBondContact O-CB 3.2Å; D534-R538 WeakPolarHBondContact O-CG 3.2Å; D534-R538 PolarHBondContact O-N 2.73Å; D534-R538 IonicContact OD1-CZ 2.69Å; D534-R538 IonicContact OD1-NE 3.77Å; D534-R538 PolarHBondContact OD1-NE 2.99Å; D534-R538 IonicContact OD1-NH2 3.17Å; D534-R538 PolarHBondContact OD1-NH2 2.82Å; D534-R538 IonicContact OD2-CZ 2.65Å; D534-R538 IonicContact OD2-NE 2.86Å; D534-R538 PolarHBondContact OD2-NE 2.82Å; D534-R538 IonicContact OD2-NH1 2.71Å; D534-R538 IonicContact OD2-NH2 3Å; D534-R538 PolarHBondContact OD2-NH2 3.07Å; R538-G540 PolarHBondContact O-N 3.25Å |
| 539 | N | 65.7 | Low | 61.4 | Low | 81 Ų | 81 | 101.6 Ų | 101.6 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | 0.8 | 175.7 | -65.7 | -43.6 | 0 | 0 | 0 | 112.6 | H535 V537 L541 | H535-N539 PolarHBondContact CD2-ND2 2.9Å; H535-N539 VanDerWaalsContact CD2-ND2 3.26Å; H535-N539 PolarHBondContact CE1-ND2 3.48Å; H535-N539 PolarHBondContact ND1-ND2 2.95Å; H535-N539 PolarHBondContact NE2-ND2 2.85Å; H535-N539 WeakPolarHBondContact O-CB 3.38Å; H535-N539 VanDerWaalsContact O-CG 3.31Å; H535-N539 PolarHBondContact O-N 2.8Å; H535-N539 VanDerWaalsContact O-N 3.09Å; H535-N539 PolarHBondContact O-ND2 3.34Å; V537-N539 PolarHBondContact O-N 2.7Å; N539-L541 HydrophobicContact CB-CB 4.27Å; N539-L541 HydrophobicContact CB-CD1 3.93Å; N539-L541 HydrophobicContact CB-CG 4.09Å; N539-L541 PolarHBondContact O-N 2.77Å; N539-L541 VanDerWaalsContact O-N 3.08Å |
| 540 | G | 54.3 | Low | 60.6 | Low | 36 Ų | 36 | 105.2 Ų | 105.2 | 37% | 0.371 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 16 | -172.1 | 0 | 0 | 0 | 0 | 0 | 114 | L536 V537 R538 D542 R546 | L536-G540 CarbonylContact O-C 3.59Å; L536-G540 WeakPolarHBondContact O-CA 3.46Å; L536-G540 PolarHBondContact O-N 2.94Å; V537-G540 PolarHBondContact O-N 2.88Å; R538-G540 PolarHBondContact O-N 3.25Å; G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 2.7Å; G540-R546 PolarHBondContact O-NE 3.33Å; G540-R546 PolarHBondContact O-NH2 2.87Å |
| 541 | L | 58.7 | Low | 59.5 | Low | 80 Ų | 80 | 110.5 Ų | 110.5 | 42% | 0.419 | 54% | 0.542 | S | S | . | . | trans | -85.3 | 6.4 | -174.5 | -83.2 | 173.6 | 0 | 0 | 0 | 113.5 | L536 N539 R543 | L536-L541 HydrophobicContact CD2-CB 3.86Å; L536-L541 PolarHBondContact O-N 2.84Å; N539-L541 HydrophobicContact CB-CB 4.27Å; N539-L541 HydrophobicContact CB-CD1 3.93Å; N539-L541 HydrophobicContact CB-CG 4.09Å; N539-L541 PolarHBondContact O-N 2.77Å; N539-L541 VanDerWaalsContact O-N 3.08Å; L541-R543 PolarHBondContact O-N 3.48Å | ||
| 542 | D | 55.4 | Low | 58.4 | Low | 57 Ų | 57 | 114.3 Ų | 114.3 | 31% | 0.305 | 55% | 0.549 | S | S | . | . | trans | -54.1 | 113.4 | 166.1 | -179.9 | 10.8 | 0 | 0 | 0 | 110.1 | L536 G540 A544 R546 | L536-D542 PolarHBondContact O-N 2.85Å; G540-D542 VanDerWaalsContact C-N 3.27Å; G540-D542 PolarHBondContact O-N 2.7Å; D542-A544 VanDerWaalsContact OD1-CB 3.31Å; D542-A544 WeakPolarHBondContact OD1-CB 3.38Å; D542-A544 PolarHBondContact OD1-N 2.84Å; D542-R546 WeakPolarHBondContact O-CG 3.35Å | ||
| 543 | R | 52.8 | Low | 57.8 | Low | 184 Ų | 184 | 110.7 Ų | 110.7 | 69% | 0.694 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.2 | -10.1 | 179.8 | -72.6 | -172 | 173.7 | 108 | -5.6 | 112.7 | L541 Y547 | L541-R543 PolarHBondContact O-N 3.48Å; R543-Y547 WeakPolarHBondContact O-CD2 3.31Å |
| 544 | A | 52.8 | Low | 57.5 | Low | 70 Ų | 70 | 111.5 Ų | 111.5 | 58% | 0.579 | 55% | 0.546 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -55 | 178 | 0 | 0 | 0 | 0 | 0 | 110.7 | D542 R546 | D542-A544 VanDerWaalsContact OD1-CB 3.31Å; D542-A544 WeakPolarHBondContact OD1-CB 3.38Å; D542-A544 PolarHBondContact OD1-N 2.84Å; A544-R546 PolarHBondContact O-N 3.39Å |
| 545 | N | 47.3 | Very low | 57.9 | Low | 97 Ų | 97 | 113.9 Ų | 113.9 | 52% | 0.519 | 56% | 0.559 | S | S | . | * | G | 310 helix | trans | -70.5 | -31.5 | 179.2 | -77.6 | 6.9 | 0 | 0 | 0 | 113.6 | Y547 H548 D549 | N545-Y547 PolarHBondContact O-N 3.13Å; N545-H548 PolarHBondContact O-N 3.09Å; N545-D549 PolarHBondContact O-N 2.63Å |
| 546 | R | 46.2 | Very low | 58.7 | Low | 142 Ų | 142 | 112.1 Ų | 112.1 | 54% | 0.536 | 56% | 0.558 | S | S | . | * | G | 310 helix | trans | -64.9 | -9.9 | -179.4 | -75.7 | -177.7 | -178.2 | -131.8 | 8.8 | 115.4 | G540 D542 A544 | G540-R546 PolarHBondContact O-NE 3.33Å; G540-R546 PolarHBondContact O-NH2 2.87Å; D542-R546 WeakPolarHBondContact O-CG 3.35Å; A544-R546 PolarHBondContact O-N 3.39Å |
| 547 | Y | 45.5 | Very low | 59.9 | Low | 198 Ų | 198 | 109.6 Ų | 109.6 | 78% | 0.776 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -102.2 | -3.1 | 168.8 | -80 | -75.9 | 0 | 0 | 0 | 113.5 | R543 N545 | R543-Y547 WeakPolarHBondContact O-CD2 3.31Å; N545-Y547 PolarHBondContact O-N 3.13Å |
| 548 | H | 51.7 | Low | 61.1 | Low | 141 Ų | 141 | 108.9 Ų | 108.9 | 65% | 0.653 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.2 | -24.5 | -172.3 | -135.2 | -53.3 | 0 | 0 | 0 | 114.3 | N545 | N545-H548 PolarHBondContact O-N 3.09Š|
| 549 | D | 47.1 | Very low | 62.3 | Low | 117 Ų | 117 | 101.7 Ų | 101.7 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -93 | -28.5 | -177.5 | -78 | -53 | 0 | 0 | 0 | 115 | N545 | N545-D549 PolarHBondContact O-N 2.63Š|
| 550 | D | 49.5 | Very low | 63.6 | Low | 145 Ų | 145 | 102.4 Ų | 102.4 | 78% | 0.775 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -91.8 | -7.2 | -166.3 | -84.1 | -35.4 | 0 | 0 | 0 | 115.7 | R552 | D550-R552 PolarHBondContact O-N 3.33Š|
| 551 | I | 53.6 | Low | 65.4 | Low | 125 Ų | 125 | 104.1 Ų | 104.1 | 64% | 0.641 | 51% | 0.512 | S | S | * | . | trans | -99.4 | 73.9 | 169.8 | -49.2 | -178.1 | 0 | 0 | 0 | 109.4 | P553 | I551-P553 WeakPolarHBondContact O-CD 3.35Š| ||
| 552 | R | 54.4 | Low | 67.1 | Low | 210 Ų | 210 | 104.7 Ų | 104.7 | 79% | 0.792 | 52% | 0.52 | S | S | * | . | trans | -62.9 | 128.6 | 161.4 | -76.4 | -172.5 | 173 | -136.2 | -3.1 | 108.9 | D550 T554 | D550-R552 PolarHBondContact O-N 3.33Å; R552-T554 PolarHBondContact O-N 2.95Å | ||
| 553 | P | 56.1 | Low | 69 | Low | 32 Ų | 32 | 102.2 Ų | 102.2 | 21% | 0.208 | 51% | 0.507 | C | S | . | . | trans | -57 | 114.3 | 171 | -28.4 | 38.4 | 0 | 0 | 0 | 110.5 | I551 D586 A637 A638 | I551-P553 WeakPolarHBondContact O-CD 3.35Å; P553-D586 VanDerWaalsContact CB-OD2 3.29Å; P553-D586 WeakPolarHBondContact CB-OD2 3.21Å; P553-D586 VanDerWaalsContact CG-OD1 3.27Å; P553-D586 WeakPolarHBondContact CG-OD1 3.26Å; P553-D586 VanDerWaalsContact CG-OD2 3.32Å; P553-D586 WeakPolarHBondContact CG-OD2 3.4Å; P553-A637 HydrophobicContact CG-CB 4.02Å; P553-A638 HydrophobicContact CB-CB 4.41Å | ||
| 554 | T | 63.9 | Low | 71 | Confident | 124 Ų | 124 | 96.1 Ų | 96.1 | 76% | 0.761 | 50% | 0.496 | S | S | * | . | trans | -82.9 | -21.7 | -177.6 | 60.8 | 0 | 0 | 0 | 0 | 112.6 | R552 | R552-T554 PolarHBondContact O-N 2.95Š| ||
| 555 | N | 82.8 | Confident | 73.1 | Confident | 95 Ų | 95 | 96.4 Ų | 96.4 | 51% | 0.508 | 49% | 0.492 | S | S | . | . | S | Bend | trans | -123.3 | 138.6 | -170.6 | -59.7 | 6.8 | 0 | 0 | 0 | 109.3 | N636 | N555-N636 PolarHBondContact O-ND2 3.46Š|
| 556 | P | 89.3 | Confident | 75.3 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 50% | 0.5 | 48% | 0.477 | S | S | . | . | trans | -64.7 | 161.2 | 167.3 | 31.2 | -36 | 0 | 0 | 0 | 110.5 | ||||
| 557 | P | 93 | Very high | 77.5 | Confident | 6 Ų | 6 | 90.9 Ų | 90.9 | 4% | 0.039 | 47% | 0.474 | C | S | . | . | trans | -64.6 | 149.1 | 179.5 | 27.9 | -34.8 | 0 | 0 | 0 | 111.5 | V581 E582 L589 A634 N636 G639 V641 | P557-V581 HydrophobicContact CB-CG1 4Å; P557-E582 CarbonylContact C-O 3.5Å; P557-E582 VanDerWaalsContact CA-O 3.26Å; P557-E582 WeakPolarHBondContact CA-O 3.44Å; P557-L589 HydrophobicContact CB-CD1 4.11Å; P557-A634 HydrophobicContact CB-CB 3.88Å; P557-A634 HydrophobicContact CG-CB 4.29Å; P557-A634 WeakPolarHBondContact CG-O 3.32Å; P557-N636 WeakPolarHBondContact CD-OD1 3.23Å; P557-G639 WeakPolarHBondContact CD-O 3.42Å; P557-V641 HydrophobicContact CB-CG1 3.84Å; P557-V641 HydrophobicContact CG-CB 4.26Å; P557-V641 HydrophobicContact CG-CG1 3.81Å; P557-V641 WeakPolarHBondContact O-CB 3.37Å; P557-V641 WeakPolarHBondContact O-CG1 3.4Å | ||
| 558 | N | 93.4 | Very high | 79.5 | Confident | 86 Ų | 86 | 84 Ų | 84 | 46% | 0.46 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 134.2 | 178.7 | -179.3 | 45.3 | 0 | 0 | 0 | 111.5 | V581 E582 | N558-V581 WeakPolarHBondContact O-CA 3.23Å; N558-E582 PolarHBondContact N-O 3.05Å; N558-E582 PolarHBondContact O-N 2.87Å |
| 559 | F | 94.6 | Very high | 81.4 | Confident | 33 Ų | 33 | 78.6 Ų | 78.6 | 15% | 0.145 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 119.5 | 178.2 | -72.8 | -72 | 0 | 0 | 0 | 111.5 | T579 C580 V581 C632 A634 V641 | F559-T579 HydrophobicContact CD1-CG2 3.91Å; F559-T579 VanDerWaalsContact CD1-OG1 3.31Å; F559-T579 WeakPolarHBondContact CD1-OG1 3.27Å; F559-T579 HydrophobicContact CE1-CG2 3.71Å; F559-C580 WeakPolarHBondContact CA-O 3.29Å; F559-V581 HydrophobicContact CD1-CG2 3.7Å; F559-V581 HydrophobicContact CE1-CG2 3.5Å; F559-V581 HydrophobicContact CZ-CG2 4.43Å; F559-C632 VanDerWaalsContact CE1-SG 3.55Å; F559-C632 WeakPolarHBondContact CZ-SG 2.96Å; F559-A634 HydrophobicContact CE1-CB 4.37Å; F559-A634 HydrophobicContact CE2-CB 4.26Å; F559-A634 HydrophobicContact CZ-CB 3.8Å; F559-V641 HydrophobicContact CD2-CG1 3.7Å; F559-V641 HydrophobicContact CD2-CG2 4.35Å; F559-V641 HydrophobicContact CE2-CG1 3.61Å |
| 560 | L | 92.9 | Very high | 83.4 | Confident | 96 Ų | 96 | 80.6 Ų | 80.6 | 50% | 0.503 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -82.9 | -27.6 | 175.8 | -60.7 | -175 | 0 | 0 | 0 | 113.4 | C580 E582 | L560-C580 HydrophobicContact CB-CB 4.24Å; L560-C580 PolarHBondContact N-O 2.79Å; L560-E582 HydrophobicContact CD1-CG 3.82Å; L560-E582 HydrophobicContact CD2-CG 4.29Å; L560-E582 HydrophobicContact CG-CG 4.11Å |
| 561 | K | 92.5 | Very high | 85.2 | Confident | 72 Ų | 72 | 73.8 Ų | 73.8 | 31% | 0.313 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -125.2 | 115.8 | -173.1 | 175.5 | 172.1 | 177.1 | 168.2 | 0 | 109.7 | E578 T579 C580 | K561-E578 IonicContact NZ-OE1 3.64Å; K561-E578 PolarHBondContact NZ-OE1 3.32Å; K561-E578 IonicContact NZ-OE2 2.72Å; K561-E578 PolarHBondContact NZ-OE2 3.02Å; K561-T579 WeakPolarHBondContact O-CB 3.46Å; K561-T579 PolarHBondContact O-OG1 2.88Å; K561-C580 HydrophobicContact CB-CB 4.46Å |
| 562 | P | 94.3 | Very high | 86.8 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 59% | 0.591 | 40% | 0.398 | S | S | * | . | trans | -66.9 | 145.3 | 173.7 | 28.9 | -33.8 | 0 | 0 | 0 | 110.5 | N644 | P562-N644 WeakPolarHBondContact CA-OD1 3.3Å; P562-N644 WeakPolarHBondContact CB-OD1 3.44Å | ||
| 563 | L | 95.9 | Very high | 88.5 | Confident | 6 Ų | 6 | 62.9 Ų | 62.9 | 3% | 0.031 | 37% | 0.37 | C | S | . | . | trans | -62 | 148.4 | 171.1 | -62 | 179.1 | 0 | 0 | 0 | 110.2 | F577 T579 W593 S643 N644 V646 | L563-F577 HydrophobicContact CD2-CB 4.39Å; L563-T579 HydrophobicContact CD2-CG2 4.09Å; L563-W593 HydrophobicContact CD1-CH2 4.41Å; L563-W593 HydrophobicContact CD1-CZ3 3.9Å; L563-W593 HydrophobicContact CD2-CH2 3.72Å; L563-W593 HydrophobicContact CD2-CZ3 4.01Å; L563-S643 WeakPolarHBondContact CD1-OG 3.34Å; L563-N644 PolarHBondContact N-OD1 3.26Å; L563-N644 PolarHBondContact O-ND2 2.81Å; L563-V646 HydrophobicContact CB-CB 4.44Å; L563-V646 HydrophobicContact CB-CG1 3.69Å; L563-V646 HydrophobicContact CB-CG2 3.84Å; L563-V646 HydrophobicContact CD1-CG2 4.08Å; L563-V646 VanDerWaalsContact O-CG1 3.28Å; L563-V646 WeakPolarHBondContact O-CG1 3.39Å | ||
| 564 | A | 95 | Very high | 90.3 | Very high | 56 Ų | 56 | 65.7 Ų | 65.7 | 46% | 0.463 | 39% | 0.388 | S | S | . | . | trans | -104.5 | 136.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q566 | A564-Q566 PolarHBondContact O-NE2 2.82Š| ||
| 565 | P | 95.1 | Very high | 91.8 | Very high | 75 Ų | 75 | 60 Ų | 60 | 49% | 0.487 | 35% | 0.354 | S | S | . | . | trans | -69.8 | 144.8 | 178.1 | 30.7 | -35.6 | 0 | 0 | 0 | 112.1 | V567 V646 E647 | P565-V567 HydrophobicContact CB-CG1 4.33Å; P565-V646 HydrophobicContact CB-CB 4.29Å; P565-E647 WeakPolarHBondContact CA-O 3.44Å | ||
| 566 | Q | 94.2 | Very high | 92.4 | Very high | 45 Ų | 45 | 58.8 Ų | 58.8 | 21% | 0.21 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 81.1 | -174.3 | -62.8 | -62.7 | -53.9 | 0 | 0 | 109.2 | A564 L569 A575 H576 F577 E647 L648 Q649 | A564-Q566 PolarHBondContact O-NE2 2.82Å; Q566-L569 HydrophobicContact CB-CD1 4.13Å; Q566-A575 HydrophobicContact CB-CB 4.33Å; Q566-A575 HydrophobicContact CG-CB 4.33Å; Q566-H576 VanDerWaalsContact CD-O 3.26Å; Q566-H576 PolarHBondContact NE2-O 2.88Å; Q566-H576 VanDerWaalsContact NE2-O 3.15Å; Q566-F577 HydrophobicContact CB-CE1 4.19Å; Q566-F577 HydrophobicContact CB-CZ 4.12Å; Q566-F577 HydrophobicContact CG-CD1 3.99Å; Q566-F577 HydrophobicContact CG-CE1 3.46Å; Q566-F577 VanDerWaalsContact CG-CE1 3.46Å; Q566-F577 HydrophobicContact CG-CE2 4.38Å; Q566-F577 HydrophobicContact CG-CZ 3.7Å; Q566-E647 PolarHBondContact N-O 3.3Å; Q566-L648 HydrophobicContact CB-CG 4.43Å; Q566-L648 WeakPolarHBondContact O-CA 3.48Å; Q566-Q649 PolarHBondContact O-N 2.84Å |
| 567 | V | 92.7 | Very high | 92.8 | Very high | 79 Ų | 79 | 55.1 Ų | 55.1 | 48% | 0.479 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 146.8 | -169 | -63.3 | 0 | 0 | 0 | 0 | 113.5 | P565 L569 Q649 | P565-V567 HydrophobicContact CB-CG1 4.33Å; V567-L569 VanDerWaalsContact C-N 3.34Å; V567-Q649 HydrophobicContact CB-CB 4.19Å; V567-Q649 HydrophobicContact CB-CG 4.48Å; V567-Q649 HydrophobicContact CG1-CB 4.11Å; V567-Q649 HydrophobicContact CG1-CG 3.95Å |
| 568 | G | 88 | Confident | 92.9 | Very high | 54 Ų | 54 | 58 Ų | 58 | 56% | 0.557 | 33% | 0.334 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 74.4 | 23.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q649 | G568-Q649 PolarHBondContact N-O 3.26Å; G568-Q649 VanDerWaalsContact N-O 3.07Å |
| 569 | L | 90.3 | Very high | 93 | Very high | 27 Ų | 27 | 53.9 Ų | 53.9 | 14% | 0.141 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 151.2 | 171.2 | -61.9 | 173.8 | 0 | 0 | 0 | 109.9 | Q566 V567 A573 A575 L648 Q649 C650 N651 | Q566-L569 HydrophobicContact CB-CD1 4.13Å; V567-L569 VanDerWaalsContact C-N 3.34Å; L569-A573 HydrophobicContact CB-CB 4.46Å; L569-A573 HydrophobicContact CD2-CB 4.43Å; L569-A575 HydrophobicContact CD1-CB 3.72Å; L569-L648 HydrophobicContact CD1-CD2 4.33Å; L569-L648 HydrophobicContact CD1-CG 4.21Å; L569-Q649 PolarHBondContact N-O 2.99Å; L569-C650 HydrophobicContact CB-CB 4.24Å; L569-C650 WeakPolarHBondContact O-CA 3.35Å; L569-N651 PolarHBondContact O-N 2.83Å; L569-N651 PolarHBondContact O-OD1 3.17Å |
| 570 | R | 90.2 | Very high | 93 | Very high | 158 Ų | 158 | 54.1 Ų | 54.1 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 154.9 | 166.2 | -72.2 | -179.5 | 167.8 | -83 | -8 | 109.7 | S572 A573 C650 D653 | R570-S572 PolarHBondContact O-N 3.22Å; R570-A573 WeakPolarHBondContact O-CB 3.48Å; R570-A573 PolarHBondContact O-N 3.46Å; R570-C650 VanDerWaalsContact C-SG 3.52Å; R570-D653 IonicContact NH1-OD1 2.87Å; R570-D653 PolarHBondContact NH1-OD1 3.07Å; R570-D653 IonicContact NH1-OD2 3.71Å |
| 571 | E | 86.5 | Confident | 93 | Very high | 3 Ų | 3 | 49.6 Ų | 49.6 | 1% | 0.014 | 29% | 0.294 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | 139.5 | 167.7 | -165.9 | 170.4 | 169 | 0 | 0 | 111.3 | A573 Y623 C650 N651 A652 D653 I656 T658 | E571-A573 PolarHBondContact O-N 3.31Å; E571-Y623 HydrophobicContact CG-CD1 3.89Å; E571-Y623 HydrophobicContact CG-CE1 4.39Å; E571-C650 PolarHBondContact N-SG 2.76Å; E571-N651 PolarHBondContact N-O 3.3Å; E571-A652 WeakPolarHBondContact OE2-CA 3.42Å; E571-D653 PolarHBondContact OE2-N 2.86Å; E571-I656 HydrophobicContact CG-CD1 4.23Å; E571-I656 WeakPolarHBondContact OE1-CB 3.34Å; E571-I656 VanDerWaalsContact OE1-CG2 3.28Å; E571-I656 WeakPolarHBondContact OE1-CG2 3.28Å; E571-T658 WeakPolarHBondContact OE1-CG2 3.47Å |
| 572 | S | 87 | Confident | 92.9 | Very high | 79 Ų | 79 | 50.7 Ų | 50.7 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.9 | -1.7 | -168.7 | 77.4 | 0 | 0 | 0 | 0 | 117.8 | R570 C622 | R570-S572 PolarHBondContact O-N 3.22Å; S572-C622 PolarHBondContact N-O 3.18Å |
| 573 | A | 90.9 | Very high | 92.6 | Very high | 26 Ų | 26 | 48 Ų | 48 | 22% | 0.215 | 28% | 0.283 | C | S | . | . | trans | -70.2 | 147.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | L569 R570 E571 C622 | L569-A573 HydrophobicContact CB-CB 4.46Å; L569-A573 HydrophobicContact CD2-CB 4.43Å; R570-A573 WeakPolarHBondContact O-CB 3.48Å; R570-A573 PolarHBondContact O-N 3.46Å; E571-A573 PolarHBondContact O-N 3.31Å; A573-C622 WeakPolarHBondContact O-CB 3.48Å; A573-C622 PolarHBondContact O-N 3.28Å; A573-C622 PolarHBondContact O-SG 2.95Å | ||
| 574 | P | 93.9 | Very high | 92.1 | Very high | 91 Ų | 91 | 50.7 Ų | 50.7 | 59% | 0.591 | 30% | 0.299 | S | S | * | . | trans | -76 | 152.1 | 172.3 | 32.2 | -34.9 | 0 | 0 | 0 | 111.5 | I619 | P574-I619 CarbonylContact C-O 3.54Å; P574-I619 WeakPolarHBondContact CA-O 3.36Å | ||
| 575 | A | 95.3 | Very high | 91 | Very high | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.033 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.2 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q566 L569 I619 C622 L648 | Q566-A575 HydrophobicContact CB-CB 4.33Å; Q566-A575 HydrophobicContact CG-CB 4.33Å; L569-A575 HydrophobicContact CD1-CB 3.72Å; A575-I619 HydrophobicContact CB-CB 4.19Å; A575-I619 HydrophobicContact CB-CD1 4.28Å; A575-I619 HydrophobicContact CB-CG1 4.46Å; A575-I619 PolarHBondContact N-O 2.8Å; A575-I619 PolarHBondContact O-N 2.72Å; A575-C622 VanDerWaalsContact CB-SG 3.55Å; A575-L648 HydrophobicContact CB-CD1 3.86Å |
| 576 | H | 95.6 | Very high | 90.4 | Very high | 70 Ų | 70 | 51.7 Ų | 51.7 | 32% | 0.324 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 128.2 | -177.3 | 179.2 | 75.1 | 0 | 0 | 0 | 110.6 | Q566 E578 D618 | Q566-H576 VanDerWaalsContact CD-O 3.26Å; Q566-H576 PolarHBondContact NE2-O 2.88Å; Q566-H576 VanDerWaalsContact NE2-O 3.15Å; H576-E578 WeakPolarHBondContact NE2-CG 3.32Å; H576-D618 IonicContact CE1-OD1 3.85Å; H576-D618 IonicContact CG-OD1 2.82Å; H576-D618 IonicContact ND1-OD1 3.19Å; H576-D618 PolarHBondContact ND1-OD1 2.99Å |
| 577 | F | 96.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 0% | 0.004 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 134.2 | 172.5 | -60.7 | -77.2 | 0 | 0 | 0 | 109.7 | L563 Q566 W593 M616 L617 I619 Y630 V646 L648 | L563-F577 HydrophobicContact CD2-CB 4.39Å; Q566-F577 HydrophobicContact CB-CE1 4.19Å; Q566-F577 HydrophobicContact CB-CZ 4.12Å; Q566-F577 HydrophobicContact CG-CD1 3.99Å; Q566-F577 HydrophobicContact CG-CE1 3.46Å; Q566-F577 VanDerWaalsContact CG-CE1 3.46Å; Q566-F577 HydrophobicContact CG-CE2 4.38Å; Q566-F577 HydrophobicContact CG-CZ 3.7Å; F577-W593 HydrophobicContact CB-CH2 3.73Å; F577-W593 HydrophobicContact CB-CZ3 3.73Å; F577-W593 HydrophobicContact CG-CZ3 4.39Å; F577-M616 CarbonylContact O-C 3.57Å; F577-M616 WeakPolarHBondContact O-CA 3.21Å; F577-M616 WeakPolarHBondContact O-CB 3.44Å; F577-L617 HydrophobicContact CB-CB 4.36Å; F577-L617 HydrophobicContact CD2-CD2 4.18Å; F577-L617 HydrophobicContact CD2-CG 4.42Å; F577-L617 PolarHBondContact N-O 3.05Å; F577-L617 PolarHBondContact O-N 2.8Å; F577-I619 HydrophobicContact CE2-CD1 4.09Å; F577-Y630 HydrophobicContact CE2-CD1 4.17Å; F577-Y630 HydrophobicContact CE2-CD2 4.35Å; F577-Y630 HydrophobicContact CE2-CG 4.06Å; F577-Y630 HydrophobicContact CZ-CD2 4.1Å; F577-Y630 HydrophobicContact CZ-CG 4.02Å; F577-V646 HydrophobicContact CD1-CG2 3.91Å; F577-V646 HydrophobicContact CE1-CG2 3.6Å; F577-L648 HydrophobicContact CE2-CD1 4.06Å; F577-L648 HydrophobicContact CZ-CB 4.28Å; F577-L648 HydrophobicContact CZ-CD1 4.04Å |
| 578 | E | 95.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 52.8 Ų | 52.8 | 30% | 0.304 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 141.2 | -177.8 | 48.1 | 152.8 | -175 | 0 | 0 | 112.4 | K561 H576 F614 A615 | K561-E578 IonicContact NZ-OE1 3.64Å; K561-E578 PolarHBondContact NZ-OE1 3.32Å; K561-E578 IonicContact NZ-OE2 2.72Å; K561-E578 PolarHBondContact NZ-OE2 3.02Å; H576-E578 WeakPolarHBondContact NE2-CG 3.32Å; E578-F614 HydrophobicContact CB-CE2 4.25Å; E578-F614 HydrophobicContact CB-CZ 4.08Å; E578-A615 WeakPolarHBondContact CA-O 3.47Å |
| 579 | T | 95.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 168.4 | 177.3 | -174 | 0 | 0 | 0 | 0 | 111.1 | F559 K561 L563 A615 | F559-T579 HydrophobicContact CD1-CG2 3.91Å; F559-T579 VanDerWaalsContact CD1-OG1 3.31Å; F559-T579 WeakPolarHBondContact CD1-OG1 3.27Å; F559-T579 HydrophobicContact CE1-CG2 3.71Å; K561-T579 WeakPolarHBondContact O-CB 3.46Å; K561-T579 PolarHBondContact O-OG1 2.88Å; L563-T579 HydrophobicContact CD2-CG2 4.09Å; T579-A615 HydrophobicContact CG2-CB 3.95Å; T579-A615 PolarHBondContact N-O 2.86Å; T579-A615 PolarHBondContact O-N 2.87Å |
| 580 | C | 94.2 | Very high | 89.7 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 26% | 0.264 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 136 | 175.6 | -55.9 | 0 | 0 | 0 | 0 | 109.1 | F559 L560 K561 G613 | F559-C580 WeakPolarHBondContact CA-O 3.29Å; L560-C580 HydrophobicContact CB-CB 4.24Å; L560-C580 PolarHBondContact N-O 2.79Å; K561-C580 HydrophobicContact CB-CB 4.46Å; C580-G613 CarbonylContact C-O 3.46Å; C580-G613 WeakPolarHBondContact CA-O 3.46Å |
| 581 | V | 93.6 | Very high | 89.9 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.006 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 131.6 | -176.8 | -166.2 | 0 | 0 | 0 | 0 | 109.9 | P557 N558 F559 L589 V591 G613 A615 A634 | P557-V581 HydrophobicContact CB-CG1 4Å; N558-V581 WeakPolarHBondContact O-CA 3.23Å; F559-V581 HydrophobicContact CD1-CG2 3.7Å; F559-V581 HydrophobicContact CE1-CG2 3.5Å; F559-V581 HydrophobicContact CZ-CG2 4.43Å; V581-L589 HydrophobicContact CB-CD2 4.36Å; V581-L589 HydrophobicContact CG1-CD1 4.03Å; V581-L589 HydrophobicContact CG1-CD2 4.36Å; V581-V591 HydrophobicContact CG2-CG2 4.24Å; V581-G613 PolarHBondContact N-O 3.45Å; V581-G613 WeakPolarHBondContact O-CA 3.49Å; V581-A615 HydrophobicContact CG2-CB 4.48Å; V581-A634 HydrophobicContact CG1-CB 3.83Å; V581-A634 HydrophobicContact CG2-CB 4.34Å |
| 582 | E | 90.2 | Very high | 90.3 | Very high | 94 Ų | 94 | 50.3 Ų | 50.3 | 44% | 0.439 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 151.1 | 164.5 | -75.2 | -176.4 | 158.9 | 0 | 0 | 110.1 | P557 N558 L560 T584 | P557-E582 CarbonylContact C-O 3.5Å; P557-E582 VanDerWaalsContact CA-O 3.26Å; P557-E582 WeakPolarHBondContact CA-O 3.44Å; N558-E582 PolarHBondContact N-O 3.05Å; N558-E582 PolarHBondContact O-N 2.87Å; L560-E582 HydrophobicContact CD1-CG 3.82Å; L560-E582 HydrophobicContact CD2-CG 4.29Å; L560-E582 HydrophobicContact CG-CG 4.11Å; E582-T584 HydrophobicContact CG-CG2 4.33Å |
| 583 | P | 88.6 | Confident | 90.7 | Very high | 36 Ų | 36 | 47.3 Ų | 47.3 | 23% | 0.234 | 27% | 0.27 | C | S | . | . | cis | -75.9 | 133.5 | -1.6 | 29.1 | -34.2 | 0 | 0 | 0 | 113.8 | D586 | P583-D586 HydrophobicContact CB-CB 4.32Å; P583-D586 HydrophobicContact CG-CB 3.81Å | ||
| 584 | T | 84.6 | Confident | 91 | Very high | 61 Ų | 61 | 48.2 Ų | 48.2 | 37% | 0.374 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -23 | -174.7 | 52.2 | 0 | 0 | 0 | 0 | 115.1 | E582 R612 | E582-T584 HydrophobicContact CG-CG2 4.33Å; T584-R612 WeakPolarHBondContact CB-O 3.32Å; T584-R612 WeakPolarHBondContact CG2-O 3.31Å |
| 585 | N | 73.1 | Confident | 91.1 | Very high | 137 Ų | 137 | 45.9 Ų | 45.9 | 73% | 0.733 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -101.8 | 27.3 | -176.5 | -68.1 | -19.6 | 0 | 0 | 0 | 112.6 | ||
| 586 | D | 82.1 | Confident | 91 | Very high | 16 Ų | 16 | 50 Ų | 50 | 9% | 0.086 | 27% | 0.27 | C | S | . | . | trans | -101.2 | 112.9 | -174.9 | -179.1 | -14.3 | 0 | 0 | 0 | 111 | P553 P583 S588 L589 N636 | P553-D586 VanDerWaalsContact CB-OD2 3.29Å; P553-D586 WeakPolarHBondContact CB-OD2 3.21Å; P553-D586 VanDerWaalsContact CG-OD1 3.27Å; P553-D586 WeakPolarHBondContact CG-OD1 3.26Å; P553-D586 VanDerWaalsContact CG-OD2 3.32Å; P553-D586 WeakPolarHBondContact CG-OD2 3.4Å; P583-D586 HydrophobicContact CB-CB 4.32Å; P583-D586 HydrophobicContact CG-CB 3.81Å; D586-S588 PolarHBondContact O-N 3.24Å; D586-S588 WeakPolarHBondContact OD1-CA 3.37Å; D586-S588 WeakPolarHBondContact OD1-CB 3.45Å; D586-S588 PolarHBondContact OD1-N 2.84Å; D586-S588 PolarHBondContact OD1-OG 3.06Å; D586-L589 HydrophobicContact CB-CB 4.14Å; D586-L589 WeakPolarHBondContact O-CB 3.4Å; D586-L589 PolarHBondContact O-N 2.86Å; D586-N636 VanDerWaalsContact OD2-CB 3.23Å; D586-N636 WeakPolarHBondContact OD2-CB 3.37Å; D586-N636 PolarHBondContact OD2-ND2 3.49Å | ||
| 587 | P | 82.1 | Confident | 90.8 | Very high | 103 Ų | 103 | 49.1 Ų | 49.1 | 67% | 0.669 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -5.6 | -178.9 | 31.7 | -36.2 | 0 | 0 | 0 | 113.7 | ||
| 588 | S | 85.1 | Confident | 90.5 | Very high | 43 Ų | 43 | 56.5 Ų | 56.5 | 30% | 0.301 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -1.2 | 173.6 | 74.2 | 0 | 0 | 0 | 0 | 113.7 | D586 T590 A637 | D586-S588 PolarHBondContact O-N 3.24Å; D586-S588 WeakPolarHBondContact OD1-CA 3.37Å; D586-S588 WeakPolarHBondContact OD1-CB 3.45Å; D586-S588 PolarHBondContact OD1-N 2.84Å; D586-S588 PolarHBondContact OD1-OG 3.06Å; S588-T590 PolarHBondContact O-N 3.05Å; S588-A637 PolarHBondContact OG-N 3.47Å |
| 589 | L | 89.4 | Confident | 90.4 | Very high | 20 Ų | 20 | 57.9 Ų | 57.9 | 11% | 0.105 | 33% | 0.327 | C | S | . | . | trans | -71.5 | 121.7 | -179 | -176.4 | 68.6 | 0 | 0 | 0 | 111.6 | P557 V581 D586 L610 A634 R635 N636 | P557-L589 HydrophobicContact CB-CD1 4.11Å; V581-L589 HydrophobicContact CB-CD2 4.36Å; V581-L589 HydrophobicContact CG1-CD1 4.03Å; V581-L589 HydrophobicContact CG1-CD2 4.36Å; D586-L589 HydrophobicContact CB-CB 4.14Å; D586-L589 WeakPolarHBondContact O-CB 3.4Å; D586-L589 PolarHBondContact O-N 2.86Å; L589-L610 HydrophobicContact CD2-CD1 4.5Å; L589-L610 WeakPolarHBondContact O-CD2 3.17Å; L589-A634 HydrophobicContact CD1-CB 4.46Å; L589-R635 CarbonylContact C-O 3.59Å; L589-R635 VanDerWaalsContact CA-O 3.32Å; L589-R635 WeakPolarHBondContact CA-O 3.27Å; L589-N636 HydrophobicContact CD1-CB 4.45Å | ||
| 590 | T | 92.7 | Very high | 90.3 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 42% | 0.417 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 156.8 | 169.7 | 68.2 | 0 | 0 | 0 | 0 | 111.1 | S588 A634 R635 | S588-T590 PolarHBondContact O-N 3.05Å; T590-A634 CarbonylContact O-C 3.57Å; T590-A634 VanDerWaalsContact O-CA 3.3Å; T590-A634 WeakPolarHBondContact O-CA 3.2Å; T590-R635 PolarHBondContact N-O 3.19Å; T590-R635 PolarHBondContact O-N 2.99Å |
| 591 | V | 94.5 | Very high | 90.1 | Very high | 27 Ų | 27 | 61.8 Ų | 61.8 | 16% | 0.164 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 124.9 | 175.9 | 179.4 | 0 | 0 | 0 | 0 | 109.8 | V581 L610 A615 C632 V633 A634 | V581-V591 HydrophobicContact CG2-CG2 4.24Å; V591-L610 HydrophobicContact CB-CD2 4.35Å; V591-L610 HydrophobicContact CG2-CD1 3.89Å; V591-L610 HydrophobicContact CG2-CD2 4.03Å; V591-A615 HydrophobicContact CB-CB 4.41Å; V591-A615 HydrophobicContact CG1-CB 4.19Å; V591-A615 HydrophobicContact CG2-CB 4.12Å; V591-C632 HydrophobicContact CG1-CB 3.83Å; V591-V633 WeakPolarHBondContact CA-O 3.39Å; V591-A634 HydrophobicContact CG2-CB 4.02Å |
| 592 | E | 95.2 | Very high | 89.9 | Confident | 75 Ų | 75 | 66.7 Ų | 66.7 | 35% | 0.35 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 135.7 | 178.8 | -68.1 | 168 | 173.1 | 0 | 0 | 110 | Y594 C632 V633 R635 | E592-Y594 HydrophobicContact CB-CE2 3.86Å; E592-Y594 PolarHBondContact OE2-OH 3.2Å; E592-C632 CarbonylContact O-C 3.56Å; E592-C632 WeakPolarHBondContact O-CA 3.12Å; E592-C632 WeakPolarHBondContact O-CB 3.38Å; E592-V633 PolarHBondContact N-O 3.35Å; E592-V633 PolarHBondContact O-N 2.61Å; E592-R635 VanDerWaalsContact CD-NE 3.27Å; E592-R635 IonicContact OE1-NE 2.73Å; E592-R635 PolarHBondContact OE1-NE 3.06Å; E592-R635 IonicContact OE2-CZ 2.7Å; E592-R635 IonicContact OE2-NE 3.21Å; E592-R635 PolarHBondContact OE2-NE 3.26Å; E592-R635 IonicContact OE2-NH2 2.77Å; E592-R635 PolarHBondContact OE2-NH2 3.32Å |
| 593 | W | 96 | Very high | 89.6 | Confident | 16 Ų | 16 | 64.5 Ų | 64.5 | 6% | 0.061 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 141.7 | 179.2 | -69.6 | 88.8 | 0 | 0 | 0 | 111.7 | L563 F577 P599 V600 M616 L617 C632 | L563-W593 HydrophobicContact CD1-CH2 4.41Å; L563-W593 HydrophobicContact CD1-CZ3 3.9Å; L563-W593 HydrophobicContact CD2-CH2 3.72Å; L563-W593 HydrophobicContact CD2-CZ3 4.01Å; F577-W593 HydrophobicContact CB-CH2 3.73Å; F577-W593 HydrophobicContact CB-CZ3 3.73Å; F577-W593 HydrophobicContact CG-CZ3 4.39Å; W593-P599 WeakPolarHBondContact O-CA 3.44Å; W593-V600 HydrophobicContact CB-CB 4.15Å; W593-V600 HydrophobicContact CB-CG2 4.02Å; W593-V600 PolarHBondContact O-N 3.42Å; W593-M616 VanDerWaalsContact CZ2-C 3.42Å; W593-M616 PolarHBondContact NE1-O 3.03Å; W593-L617 HydrophobicContact CB-CD2 4.18Å; W593-L617 HydrophobicContact CD2-CB 3.58Å; W593-L617 HydrophobicContact CD2-CD2 3.86Å; W593-L617 HydrophobicContact CD2-CG 4.28Å; W593-L617 HydrophobicContact CE3-CB 3.78Å; W593-L617 HydrophobicContact CE3-CD2 3.67Å; W593-L617 HydrophobicContact CE3-CG 4.38Å; W593-L617 HydrophobicContact CG-CB 4.15Å; W593-L617 HydrophobicContact CG-CD2 4.09Å; W593-L617 HydrophobicContact CH2-CB 3.95Å; W593-L617 HydrophobicContact CZ2-CB 3.77Å; W593-L617 HydrophobicContact CZ3-CB 3.96Å; W593-L617 HydrophobicContact CZ3-CD2 4.33Å; W593-C632 HydrophobicContact CD2-CB 3.77Å; W593-C632 HydrophobicContact CE3-CB 3.79Å; W593-C632 HydrophobicContact CG-CB 4.28Å; W593-C632 HydrophobicContact CH2-CB 4.39Å; W593-C632 HydrophobicContact CZ2-CB 4.35Å; W593-C632 HydrophobicContact CZ3-CB 4.12Å |
| 594 | Y | 97.1 | Very high | 89.4 | Confident | 45 Ų | 45 | 67.7 Ų | 67.7 | 18% | 0.176 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 145.1 | -177.8 | -69.9 | -98.5 | 0 | 0 | 0 | 111.4 | E592 K598 P599 Y630 F631 V633 R635 | E592-Y594 HydrophobicContact CB-CE2 3.86Å; E592-Y594 PolarHBondContact OE2-OH 3.2Å; Y594-K598 CarbonylContact C-O 3.56Å; Y594-K598 WeakPolarHBondContact CA-O 3.3Å; Y594-P599 HydrophobicContact CE1-CB 4.4Å; Y594-Y630 WeakPolarHBondContact O-CA 3.36Å; Y594-F631 VanDerWaalsContact CB-CE2 3.5Å; Y594-F631 HydrophobicContact CD1-CE2 4.31Å; Y594-F631 HydrophobicContact CD1-CZ 4.14Å; Y594-F631 HydrophobicContact CD2-CD2 4.14Å; Y594-F631 AromaticContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CZ 4.24Å; Y594-F631 HydrophobicContact CE2-CE2 4.43Å; Y594-F631 HydrophobicContact CG-CD2 4.26Å; Y594-F631 HydrophobicContact CG-CE1 4.46Å; Y594-F631 AromaticContact CG-CE2 3.56Å; Y594-F631 HydrophobicContact CG-CE2 3.56Å; Y594-F631 AromaticContact CG-CZ 3.69Å; Y594-F631 HydrophobicContact CG-CZ 3.69Å; Y594-F631 PolarHBondContact N-O 2.81Å; Y594-F631 PolarHBondContact O-N 2.97Å; Y594-V633 HydrophobicContact CD2-CG2 3.93Å; Y594-V633 HydrophobicContact CE2-CB 4.02Å; Y594-V633 HydrophobicContact CE2-CG2 3.61Å; Y594-R635 PolarHBondContact OH-NH2 3.32Å |
| 595 | K | 95.3 | Very high | 89.7 | Confident | 43 Ų | 43 | 67 Ų | 67 | 19% | 0.187 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 126.1 | 170.7 | -172.4 | -153.9 | -172.3 | -123.4 | 0 | 109 | G597 K598 V600 E625 D626 N627 A629 Y630 | K595-G597 PolarHBondContact O-N 2.72Å; K595-K598 PolarHBondContact N-O 2.89Å; K595-K598 PolarHBondContact O-N 2.83Å; K595-K598 VanDerWaalsContact O-O 3.12Å; K595-V600 HydrophobicContact CB-CG2 4.07Å; K595-E625 PolarHBondContact NZ-O 2.91Å; K595-D626 VanDerWaalsContact CE-C 3.48Å; K595-D626 WeakPolarHBondContact CE-O 3.25Å; K595-N627 VanDerWaalsContact CE-O 3.25Å; K595-N627 WeakPolarHBondContact CE-O 3.15Å; K595-N627 PolarHBondContact NZ-O 3.01Å; K595-A629 CarbonylContact C-O 3.41Å; K595-A629 WeakPolarHBondContact CA-O 3.35Å; K595-Y630 HydrophobicContact CB-CD1 4.21Å; K595-Y630 HydrophobicContact CB-CE1 3.9Å; K595-Y630 HydrophobicContact CD-CE1 4.49Å; K595-Y630 HydrophobicContact CD-CE2 4.24Å; K595-Y630 HydrophobicContact CG-CD1 4.39Å; K595-Y630 HydrophobicContact CG-CD2 4.23Å; K595-Y630 HydrophobicContact CG-CE1 3.94Å; K595-Y630 HydrophobicContact CG-CE2 3.76Å |
| 596 | D | 93.3 | Very high | 90.7 | Very high | 89 Ų | 89 | 61.7 Ų | 61.7 | 48% | 0.476 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.9 | 30.2 | 177 | -52.8 | -45.8 | 0 | 0 | 0 | 113.2 | K598 G628 A629 | D596-K598 VanDerWaalsContact C-N 3.33Å; D596-K598 PolarHBondContact O-N 3.15Å; D596-G628 WeakPolarHBondContact OD1-CA 3.19Å; D596-A629 PolarHBondContact N-O 3.43Å; D596-A629 PolarHBondContact OD1-N 3.46Å |
| 597 | G | 90.8 | Very high | 91.2 | Very high | 52 Ų | 52 | 64.1 Ų | 64.1 | 54% | 0.536 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 82.5 | -4.8 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | K595 | K595-G597 PolarHBondContact O-N 2.72Š|
| 598 | K | 91.9 | Very high | 91.8 | Very high | 156 Ų | 156 | 60.9 Ų | 60.9 | 68% | 0.678 | 36% | 0.358 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 148.8 | 173.5 | -63.3 | -178.8 | 179.3 | -177.2 | 0 | 110.7 | Y594 K595 D596 | Y594-K598 CarbonylContact C-O 3.56Å; Y594-K598 WeakPolarHBondContact CA-O 3.3Å; K595-K598 PolarHBondContact N-O 2.89Å; K595-K598 PolarHBondContact O-N 2.83Å; K595-K598 VanDerWaalsContact O-O 3.12Å; D596-K598 VanDerWaalsContact C-N 3.33Å; D596-K598 PolarHBondContact O-N 3.15Å |
| 599 | P | 93.5 | Very high | 92.2 | Very high | 95 Ų | 95 | 61.8 Ų | 61.8 | 62% | 0.617 | 36% | 0.362 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 145 | 173.2 | 28.1 | -34.7 | 0 | 0 | 0 | 110.9 | W593 Y594 | W593-P599 WeakPolarHBondContact O-CA 3.44Å; Y594-P599 HydrophobicContact CE1-CB 4.4Å |
| 600 | V | 92.8 | Very high | 92.3 | Very high | 19 Ų | 19 | 64 Ų | 64 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 124 | 176.7 | 174.5 | 0 | 0 | 0 | 0 | 109.8 | W593 K595 M602 F606 L617 Y630 | W593-V600 HydrophobicContact CB-CB 4.15Å; W593-V600 HydrophobicContact CB-CG2 4.02Å; W593-V600 PolarHBondContact O-N 3.42Å; K595-V600 HydrophobicContact CB-CG2 4.07Å; V600-M602 HydrophobicContact CG1-SD 4.39Å; V600-M602 PolarHBondContact O-N 2.97Å; V600-M602 VanDerWaalsContact O-N 3.12Å; V600-F606 HydrophobicContact CG1-CB 4.07Å; V600-F606 HydrophobicContact CG1-CD1 3.69Å; V600-F606 HydrophobicContact CG1-CE1 4.26Å; V600-F606 HydrophobicContact CG1-CG 3.86Å; V600-L617 HydrophobicContact CG1-CD1 4.45Å; V600-L617 HydrophobicContact CG2-CD2 4.49Å; V600-Y630 HydrophobicContact CG2-CD1 4.4Å; V600-Y630 HydrophobicContact CG2-CE1 4.15Å |
| 601 | S | 89.7 | Confident | 92.2 | Very high | 102 Ų | 102 | 65.2 Ų | 65.2 | 71% | 0.713 | 38% | 0.378 | S | S | * | . | trans | -72 | 102.6 | 176.1 | -54.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 602 | M | 89.5 | Confident | 91.8 | Very high | 103 Ų | 103 | 73.2 Ų | 73.2 | 51% | 0.507 | 41% | 0.405 | S | S | . | . | trans | -61.5 | 140.9 | 177.5 | -57.7 | -47.3 | -55.6 | 0 | 0 | 111.9 | V600 F606 A608 | V600-M602 HydrophobicContact CG1-SD 4.39Å; V600-M602 PolarHBondContact O-N 2.97Å; V600-M602 VanDerWaalsContact O-N 3.12Å; M602-F606 WeakPolarHBondContact CE-O 3.47Å; M602-A608 HydrophobicContact CE-CB 3.36Å; M602-A608 HydrophobicContact SD-CB 4.08Å | ||
| 603 | G | 83.5 | Confident | 91.4 | Very high | 48 Ų | 48 | 69.8 Ų | 69.8 | 50% | 0.495 | 39% | 0.39 | S | S | . | . | S | Bend | trans | 175.9 | -159.5 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | R605 F606 | G603-R605 PolarHBondContact O-N 3.45Å; G603-F606 PolarHBondContact N-O 3.36Å; G603-F606 VanDerWaalsContact N-O 3.12Å; G603-F606 CarbonylContact O-C 3.56Å; G603-F606 PolarHBondContact O-N 2.86Å |
| 604 | C | 84.2 | Confident | 91.2 | Very high | 104 Ų | 104 | 72.7 Ų | 72.7 | 70% | 0.703 | 40% | 0.403 | S | S | * | . | S | Bend | trans | -69.4 | -16.5 | -176.9 | 62 | 0 | 0 | 0 | 0 | 114.8 | H620 | C604-H620 PolarHBondContact O-ND1 3.29Š|
| 605 | R | 92.5 | Very high | 91.1 | Very high | 46 Ų | 46 | 70.6 Ų | 70.6 | 17% | 0.174 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -94.5 | -38.2 | 173.3 | -57.6 | -153.2 | -57.7 | 117.1 | -3.2 | 113.4 | G603 I619 H620 Y621 D626 | G603-R605 PolarHBondContact O-N 3.45Å; R605-I619 WeakPolarHBondContact O-CA 3.32Å; R605-H620 PolarHBondContact O-N 3.23Å; R605-Y621 HydrophobicContact CG-CE1 4.18Å; R605-Y621 HydrophobicContact CG-CE2 3.96Å; R605-Y621 PolarHBondContact NH1-O 3.16Å; R605-D626 IonicContact CZ-OD1 3.12Å; R605-D626 IonicContact CZ-OD2 3.34Å; R605-D626 IonicContact NH1-OD1 2.69Å; R605-D626 PolarHBondContact NH1-OD1 3.45Å; R605-D626 IonicContact NH1-OD2 3.71Å; R605-D626 PolarHBondContact NH1-OD2 3.12Å; R605-D626 IonicContact NH2-OD1 2.87Å; R605-D626 PolarHBondContact NH2-OD1 2.96Å; R605-D626 IonicContact NH2-OD2 3.15Å; R605-D626 PolarHBondContact NH2-OD2 3.11Å |
| 606 | F | 93.5 | Very high | 91.1 | Very high | 26 Ų | 26 | 69.9 Ų | 69.9 | 11% | 0.114 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 110.7 | -175.1 | -64.9 | -83.2 | 0 | 0 | 0 | 109.6 | V600 M602 G603 L617 D618 I619 D626 | V600-F606 HydrophobicContact CG1-CB 4.07Å; V600-F606 HydrophobicContact CG1-CD1 3.69Å; V600-F606 HydrophobicContact CG1-CE1 4.26Å; V600-F606 HydrophobicContact CG1-CG 3.86Å; M602-F606 WeakPolarHBondContact CE-O 3.47Å; G603-F606 PolarHBondContact N-O 3.36Å; G603-F606 VanDerWaalsContact N-O 3.12Å; G603-F606 CarbonylContact O-C 3.56Å; G603-F606 PolarHBondContact O-N 2.86Å; F606-L617 HydrophobicContact CB-CD1 4.35Å; F606-L617 HydrophobicContact CD1-CD1 4.39Å; F606-D618 WeakPolarHBondContact CA-O 3.21Å; F606-I619 HydrophobicContact CD1-CD1 4.17Å; F606-I619 HydrophobicContact CD1-CG1 3.76Å; F606-I619 HydrophobicContact CD1-CG2 4.39Å; F606-I619 HydrophobicContact CE1-CB 4.5Å; F606-I619 HydrophobicContact CE1-CD1 3.68Å; F606-I619 HydrophobicContact CE1-CG1 3.74Å; F606-I619 HydrophobicContact CE1-CG2 4.04Å; F606-I619 HydrophobicContact CZ-CG2 4.5Å; F606-D626 WeakPolarHBondContact CZ-OD1 3.46Å |
| 607 | N | 93 | Very high | 91.3 | Very high | 67 Ų | 67 | 65.7 Ų | 65.7 | 36% | 0.358 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 129 | 177.9 | 179 | 36.6 | 0 | 0 | 0 | 109.7 | L617 D618 | N607-L617 CarbonylContact O-C 3.56Å; N607-L617 WeakPolarHBondContact O-CA 3.45Å; N607-D618 HydrophobicContact CB-CB 4.44Å; N607-D618 PolarHBondContact N-O 2.75Å; N607-D618 PolarHBondContact O-N 2.87Å |
| 608 | A | 94.4 | Very high | 91.5 | Very high | 34 Ų | 34 | 65.1 Ų | 65.1 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 138.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | M602 M616 L617 | M602-A608 HydrophobicContact CE-CB 3.36Å; M602-A608 HydrophobicContact SD-CB 4.08Å; A608-M616 WeakPolarHBondContact CA-O 3.45Å; A608-M616 WeakPolarHBondContact CB-O 3.46Å; A608-L617 HydrophobicContact CB-CD1 4.17Å |
| 609 | V | 92.7 | Very high | 91.7 | Very high | 63 Ų | 63 | 57.8 Ų | 57.8 | 38% | 0.382 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 141.3 | -174.8 | -175.1 | 0 | 0 | 0 | 0 | 109.2 | A615 M616 | V609-A615 WeakPolarHBondContact O-CA 3.36Å; V609-M616 HydrophobicContact CB-CG 3.72Å; V609-M616 HydrophobicContact CB-SD 4.08Å; V609-M616 HydrophobicContact CG2-CE 4.33Å; V609-M616 HydrophobicContact CG2-CG 4.32Å; V609-M616 HydrophobicContact CG2-SD 4.28Å; V609-M616 PolarHBondContact N-O 2.84Å; V609-M616 VanDerWaalsContact N-O 3.07Å; V609-M616 PolarHBondContact O-N 2.89Å |
| 610 | L | 92.4 | Very high | 91.6 | Very high | 66 Ų | 66 | 57.9 Ų | 57.9 | 35% | 0.346 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 114 | 169.6 | 175.8 | 63.3 | 0 | 0 | 0 | 108.3 | L589 V591 F614 A615 | L589-L610 HydrophobicContact CD2-CD1 4.5Å; L589-L610 WeakPolarHBondContact O-CD2 3.17Å; V591-L610 HydrophobicContact CB-CD2 4.35Å; V591-L610 HydrophobicContact CG2-CD1 3.89Å; V591-L610 HydrophobicContact CG2-CD2 4.03Å; L610-F614 WeakPolarHBondContact CA-O 3.38Å; L610-A615 HydrophobicContact CD1-CB 4.03Å |
| 611 | D | 90.6 | Very high | 91.5 | Very high | 94 Ų | 94 | 61.1 Ų | 61.1 | 50% | 0.503 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 121.5 | 173.1 | 178.3 | 29.5 | 0 | 0 | 0 | 109.7 | G613 F614 | D611-G613 PolarHBondContact O-N 2.82Å; D611-F614 PolarHBondContact N-O 2.88Å; D611-F614 WeakPolarHBondContact O-CB 3.35Å; D611-F614 PolarHBondContact O-N 2.89Å |
| 612 | R | 86.3 | Confident | 91.6 | Very high | 194 Ų | 194 | 56.3 Ų | 56.3 | 73% | 0.732 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.8 | 39.3 | 178.3 | -61 | 153.8 | -160.1 | -116.8 | 1.3 | 113.7 | T584 F614 | T584-R612 WeakPolarHBondContact CB-O 3.32Å; T584-R612 WeakPolarHBondContact CG2-O 3.31Å; R612-F614 VanDerWaalsContact C-N 3.32Å; R612-F614 PolarHBondContact O-N 2.9Å |
| 613 | G | 85.7 | Confident | 91.7 | Very high | 3 Ų | 3 | 54.4 Ų | 54.4 | 3% | 0.031 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.4 | -7.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116 | C580 V581 D611 A615 | C580-G613 CarbonylContact C-O 3.46Å; C580-G613 WeakPolarHBondContact CA-O 3.46Å; V581-G613 PolarHBondContact N-O 3.45Å; V581-G613 WeakPolarHBondContact O-CA 3.49Å; D611-G613 PolarHBondContact O-N 2.82Å; G613-A615 PolarHBondContact O-N 3.12Å |
| 614 | F | 93.2 | Very high | 91.9 | Very high | 78 Ų | 78 | 53.7 Ų | 53.7 | 34% | 0.342 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 123.5 | 164.4 | -176.9 | -105.3 | 0 | 0 | 0 | 109 | E578 L610 D611 R612 M616 | E578-F614 HydrophobicContact CB-CE2 4.25Å; E578-F614 HydrophobicContact CB-CZ 4.08Å; L610-F614 WeakPolarHBondContact CA-O 3.38Å; D611-F614 PolarHBondContact N-O 2.88Å; D611-F614 WeakPolarHBondContact O-CB 3.35Å; D611-F614 PolarHBondContact O-N 2.89Å; R612-F614 VanDerWaalsContact C-N 3.32Å; R612-F614 PolarHBondContact O-N 2.9Å; F614-M616 HydrophobicContact CE1-CB 4.18Å; F614-M616 HydrophobicContact CE1-CG 4.05Å; F614-M616 HydrophobicContact CE1-SD 3.84Å |
| 615 | A | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 130 | -175.3 | 0 | 0 | 0 | 0 | 0 | 111 | E578 T579 V581 V591 V609 L610 G613 | E578-A615 WeakPolarHBondContact CA-O 3.47Å; T579-A615 HydrophobicContact CG2-CB 3.95Å; T579-A615 PolarHBondContact N-O 2.86Å; T579-A615 PolarHBondContact O-N 2.87Å; V581-A615 HydrophobicContact CG2-CB 4.48Å; V591-A615 HydrophobicContact CB-CB 4.41Å; V591-A615 HydrophobicContact CG1-CB 4.19Å; V591-A615 HydrophobicContact CG2-CB 4.12Å; V609-A615 WeakPolarHBondContact O-CA 3.36Å; L610-A615 HydrophobicContact CD1-CB 4.03Å; G613-A615 PolarHBondContact O-N 3.12Å |
| 616 | M | 95.6 | Very high | 92.1 | Very high | 29 Ų | 29 | 51.9 Ų | 51.9 | 14% | 0.143 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 156.4 | -175.5 | 54.3 | 173.2 | -80.6 | 0 | 0 | 112.9 | F577 W593 A608 V609 F614 D618 | F577-M616 CarbonylContact O-C 3.57Å; F577-M616 WeakPolarHBondContact O-CA 3.21Å; F577-M616 WeakPolarHBondContact O-CB 3.44Å; W593-M616 VanDerWaalsContact CZ2-C 3.42Å; W593-M616 PolarHBondContact NE1-O 3.03Å; A608-M616 WeakPolarHBondContact CA-O 3.45Å; A608-M616 WeakPolarHBondContact CB-O 3.46Å; V609-M616 HydrophobicContact CB-CG 3.72Å; V609-M616 HydrophobicContact CB-SD 4.08Å; V609-M616 HydrophobicContact CG2-CE 4.33Å; V609-M616 HydrophobicContact CG2-CG 4.32Å; V609-M616 HydrophobicContact CG2-SD 4.28Å; V609-M616 PolarHBondContact N-O 2.84Å; V609-M616 VanDerWaalsContact N-O 3.07Å; V609-M616 PolarHBondContact O-N 2.89Å; F614-M616 HydrophobicContact CE1-CB 4.18Å; F614-M616 HydrophobicContact CE1-CG 4.05Å; F614-M616 HydrophobicContact CE1-SD 3.84Å; M616-D618 WeakPolarHBondContact CE-OD2 3.43Å |
| 617 | L | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.9 | 116.2 | 169.9 | 171.6 | 68.2 | 0 | 0 | 0 | 109.1 | F577 W593 V600 F606 N607 A608 Y630 | F577-L617 HydrophobicContact CB-CB 4.36Å; F577-L617 HydrophobicContact CD2-CD2 4.18Å; F577-L617 HydrophobicContact CD2-CG 4.42Å; F577-L617 PolarHBondContact N-O 3.05Å; F577-L617 PolarHBondContact O-N 2.8Å; W593-L617 HydrophobicContact CB-CD2 4.18Å; W593-L617 HydrophobicContact CD2-CB 3.58Å; W593-L617 HydrophobicContact CD2-CD2 3.86Å; W593-L617 HydrophobicContact CD2-CG 4.28Å; W593-L617 HydrophobicContact CE3-CB 3.78Å; W593-L617 HydrophobicContact CE3-CD2 3.67Å; W593-L617 HydrophobicContact CE3-CG 4.38Å; W593-L617 HydrophobicContact CG-CB 4.15Å; W593-L617 HydrophobicContact CG-CD2 4.09Å; W593-L617 HydrophobicContact CH2-CB 3.95Å; W593-L617 HydrophobicContact CZ2-CB 3.77Å; W593-L617 HydrophobicContact CZ3-CB 3.96Å; W593-L617 HydrophobicContact CZ3-CD2 4.33Å; V600-L617 HydrophobicContact CG1-CD1 4.45Å; V600-L617 HydrophobicContact CG2-CD2 4.49Å; F606-L617 HydrophobicContact CB-CD1 4.35Å; F606-L617 HydrophobicContact CD1-CD1 4.39Å; N607-L617 CarbonylContact O-C 3.56Å; N607-L617 WeakPolarHBondContact O-CA 3.45Å; A608-L617 HydrophobicContact CB-CD1 4.17Å; L617-Y630 HydrophobicContact CD2-CD1 4.07Å; L617-Y630 HydrophobicContact CD2-CE1 4.21Å |
| 618 | D | 95.7 | Very high | 92.2 | Very high | 41 Ų | 41 | 50.9 Ų | 50.9 | 22% | 0.219 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 138.8 | 170 | -76.3 | -37 | 0 | 0 | 0 | 110.6 | H576 F606 N607 M616 | H576-D618 IonicContact CE1-OD1 3.85Å; H576-D618 IonicContact CG-OD1 2.82Å; H576-D618 IonicContact ND1-OD1 3.19Å; H576-D618 PolarHBondContact ND1-OD1 2.99Å; F606-D618 WeakPolarHBondContact CA-O 3.21Å; N607-D618 HydrophobicContact CB-CB 4.44Å; N607-D618 PolarHBondContact N-O 2.75Å; N607-D618 PolarHBondContact O-N 2.87Å; M616-D618 WeakPolarHBondContact CE-OD2 3.43Å |
| 619 | I | 95.3 | Very high | 92.3 | Very high | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 108.1 | 167.5 | -50 | 177.7 | 0 | 0 | 0 | 106.8 | P574 A575 F577 R605 F606 Y621 Y630 L648 | P574-I619 CarbonylContact C-O 3.54Å; P574-I619 WeakPolarHBondContact CA-O 3.36Å; A575-I619 HydrophobicContact CB-CB 4.19Å; A575-I619 HydrophobicContact CB-CD1 4.28Å; A575-I619 HydrophobicContact CB-CG1 4.46Å; A575-I619 PolarHBondContact N-O 2.8Å; A575-I619 PolarHBondContact O-N 2.72Å; F577-I619 HydrophobicContact CE2-CD1 4.09Å; R605-I619 WeakPolarHBondContact O-CA 3.32Å; F606-I619 HydrophobicContact CD1-CD1 4.17Å; F606-I619 HydrophobicContact CD1-CG1 3.76Å; F606-I619 HydrophobicContact CD1-CG2 4.39Å; F606-I619 HydrophobicContact CE1-CB 4.5Å; F606-I619 HydrophobicContact CE1-CD1 3.68Å; F606-I619 HydrophobicContact CE1-CG1 3.74Å; F606-I619 HydrophobicContact CE1-CG2 4.04Å; F606-I619 HydrophobicContact CZ-CG2 4.5Å; I619-Y621 VanDerWaalsContact C-N 3.31Å; I619-Y621 PolarHBondContact O-N 3.48Å; I619-Y630 HydrophobicContact CD1-CE1 4.21Å; I619-L648 HydrophobicContact CD1-CD1 3.54Å |
| 620 | H | 91.8 | Very high | 92.5 | Very high | 97 Ų | 97 | 48 Ų | 48 | 45% | 0.449 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -63.8 | -33 | -171 | -67.8 | 145.2 | 0 | 0 | 0 | 114.1 | C604 R605 | C604-H620 PolarHBondContact O-ND1 3.29Å; R605-H620 PolarHBondContact O-N 3.23Å |
| 621 | Y | 91.5 | Very high | 92.7 | Very high | 88 Ų | 88 | 46.1 Ų | 46.1 | 35% | 0.345 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -156.4 | 119 | 176.7 | 46.8 | -84.4 | 0 | 0 | 0 | 109 | R605 I619 Y623 | R605-Y621 HydrophobicContact CG-CE1 4.18Å; R605-Y621 HydrophobicContact CG-CE2 3.96Å; R605-Y621 PolarHBondContact NH1-O 3.16Å; I619-Y621 VanDerWaalsContact C-N 3.31Å; I619-Y621 PolarHBondContact O-N 3.48Å; Y621-Y623 HydrophobicContact CD2-CD2 4.49Å; Y621-Y623 AromaticContact CD2-CE2 3.58Å; Y621-Y623 HydrophobicContact CD2-CE2 3.58Å; Y621-Y623 AromaticContact CD2-CZ 3.84Å; Y621-Y623 AromaticContact CE2-CE2 3.76Å; Y621-Y623 HydrophobicContact CE2-CE2 3.76Å |
| 622 | C | 91.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | trans | -88 | 145.4 | -176.9 | -56.5 | 0 | 0 | 0 | 0 | 111.9 | S572 A573 A575 D626 C650 | S572-C622 PolarHBondContact N-O 3.18Å; A573-C622 WeakPolarHBondContact O-CB 3.48Å; A573-C622 PolarHBondContact O-N 3.28Å; A573-C622 PolarHBondContact O-SG 2.95Å; A575-C622 VanDerWaalsContact CB-SG 3.55Å; C622-D626 WeakPolarHBondContact CA-OD2 3.31Å; C622-C650 HydrophobicContact CB-CB 4.16Å | ||
| 623 | Y | 90.6 | Very high | 93.4 | Very high | 64 Ų | 64 | 33 Ų | 33 | 25% | 0.251 | 17% | 0.166 | S | C | . | . | trans | -119.8 | 165.5 | 169.9 | -66.4 | -72.2 | 0 | 0 | 0 | 111 | E571 Y621 E625 D626 T658 | E571-Y623 HydrophobicContact CG-CD1 3.89Å; E571-Y623 HydrophobicContact CG-CE1 4.39Å; Y621-Y623 HydrophobicContact CD2-CD2 4.49Å; Y621-Y623 AromaticContact CD2-CE2 3.58Å; Y621-Y623 HydrophobicContact CD2-CE2 3.58Å; Y621-Y623 AromaticContact CD2-CZ 3.84Å; Y621-Y623 AromaticContact CE2-CE2 3.76Å; Y621-Y623 HydrophobicContact CE2-CE2 3.76Å; Y623-E625 VanDerWaalsContact CB-OE2 3.31Å; Y623-E625 WeakPolarHBondContact CB-OE2 3.02Å; Y623-E625 PolarHBondContact O-N 2.83Å; Y623-D626 PolarHBondContact N-OD2 3.01Å; Y623-D626 WeakPolarHBondContact O-CB 3.36Å; Y623-D626 PolarHBondContact O-N 2.94Å; Y623-T658 HydrophobicContact CD1-CG2 4.17Å | ||
| 624 | P | 88.9 | Confident | 93.9 | Very high | 32 Ų | 32 | 32.9 Ų | 32.9 | 21% | 0.208 | 16% | 0.164 | C | C | . | . | G | 310 helix | trans | -57.4 | -27.5 | 176.1 | -25.3 | 36.1 | 0 | 0 | 0 | 114.4 | D626 N627 A652 | P624-D626 VanDerWaalsContact C-N 3.31Å; P624-N627 VanDerWaalsContact O-CB 3.27Å; P624-N627 WeakPolarHBondContact O-CB 3.46Å; P624-N627 PolarHBondContact O-N 3.45Å; P624-N627 PolarHBondContact O-ND2 2.92Å; P624-A652 HydrophobicContact CB-CB 4.48Å; P624-A652 HydrophobicContact CG-CB 3.53Å |
| 625 | E | 89.1 | Confident | 93.9 | Very high | 105 Ų | 105 | 32.6 Ų | 32.6 | 49% | 0.491 | 16% | 0.161 | S | C | . | . | G | 310 helix | trans | -73.5 | -16.4 | 173.1 | 61.6 | -93.5 | -150.6 | 0 | 0 | 114.6 | K595 Y623 N627 | K595-E625 PolarHBondContact NZ-O 2.91Å; Y623-E625 VanDerWaalsContact CB-OE2 3.31Å; Y623-E625 WeakPolarHBondContact CB-OE2 3.02Å; Y623-E625 PolarHBondContact O-N 2.83Å; E625-N627 PolarHBondContact O-N 3.25Å |
| 626 | D | 92.2 | Very high | 93.7 | Very high | 7 Ų | 7 | 33.4 Ų | 33.4 | 4% | 0.037 | 17% | 0.165 | C | C | . | . | G | 310 helix | trans | -77.6 | -8.1 | 172.3 | -60 | -43.8 | 0 | 0 | 0 | 112.1 | K595 R605 F606 C622 Y623 P624 G628 Y630 L648 | K595-D626 VanDerWaalsContact CE-C 3.48Å; K595-D626 WeakPolarHBondContact CE-O 3.25Å; R605-D626 IonicContact CZ-OD1 3.12Å; R605-D626 IonicContact CZ-OD2 3.34Å; R605-D626 IonicContact NH1-OD1 2.69Å; R605-D626 PolarHBondContact NH1-OD1 3.45Å; R605-D626 IonicContact NH1-OD2 3.71Å; R605-D626 PolarHBondContact NH1-OD2 3.12Å; R605-D626 IonicContact NH2-OD1 2.87Å; R605-D626 PolarHBondContact NH2-OD1 2.96Å; R605-D626 IonicContact NH2-OD2 3.15Å; R605-D626 PolarHBondContact NH2-OD2 3.11Å; F606-D626 WeakPolarHBondContact CZ-OD1 3.46Å; C622-D626 WeakPolarHBondContact CA-OD2 3.31Å; Y623-D626 PolarHBondContact N-OD2 3.01Å; Y623-D626 WeakPolarHBondContact O-CB 3.36Å; Y623-D626 PolarHBondContact O-N 2.94Å; P624-D626 VanDerWaalsContact C-N 3.31Å; D626-G628 PolarHBondContact O-N 3Å; D626-Y630 WeakPolarHBondContact O-CE2 3.21Å; D626-Y630 PolarHBondContact O-OH 3.45Å; D626-L648 HydrophobicContact CB-CD2 4.46Å |
| 627 | N | 93.8 | Very high | 93.4 | Very high | 57 Ų | 57 | 36 Ų | 36 | 31% | 0.305 | 19% | 0.191 | S | C | . | . | trans | -60.9 | 133.8 | 175.1 | -68.3 | -19.8 | 0 | 0 | 0 | 111.4 | K595 P624 E625 L648 C650 | K595-N627 VanDerWaalsContact CE-O 3.25Å; K595-N627 WeakPolarHBondContact CE-O 3.15Å; K595-N627 PolarHBondContact NZ-O 3.01Å; P624-N627 VanDerWaalsContact O-CB 3.27Å; P624-N627 WeakPolarHBondContact O-CB 3.46Å; P624-N627 PolarHBondContact O-N 3.45Å; P624-N627 PolarHBondContact O-ND2 2.92Å; E625-N627 PolarHBondContact O-N 3.25Å; N627-L648 WeakPolarHBondContact CA-O 3.43Å; N627-C650 PolarHBondContact ND2-O 3.49Å; N627-C650 WeakPolarHBondContact OD1-CA 3.18Å; N627-C650 VanDerWaalsContact OD1-CB 3.28Å; N627-C650 WeakPolarHBondContact OD1-CB 3.39Å; N627-C650 PolarHBondContact OD1-N 2.86Å; N627-C650 PolarHBondContact OD1-O 2.91Å | ||
| 628 | G | 93.8 | Very high | 92.9 | Very high | 15 Ų | 15 | 38.2 Ų | 38.2 | 16% | 0.155 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 163 | -174.2 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D596 D626 L648 | D596-G628 WeakPolarHBondContact OD1-CA 3.19Å; D626-G628 PolarHBondContact O-N 3Å; G628-L648 PolarHBondContact N-O 2.78Å; G628-L648 PolarHBondContact O-N 2.73Å |
| 629 | A | 96.3 | Very high | 92.7 | Very high | 36 Ų | 36 | 37.7 Ų | 37.7 | 30% | 0.298 | 21% | 0.213 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.8 | 106.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111 | K595 D596 V645 V646 | K595-A629 CarbonylContact C-O 3.41Å; K595-A629 WeakPolarHBondContact CA-O 3.35Å; D596-A629 PolarHBondContact N-O 3.43Å; D596-A629 PolarHBondContact OD1-N 3.46Å; A629-V645 HydrophobicContact CB-CG1 3.76Å; A629-V646 CarbonylContact C-O 3.59Å; A629-V646 WeakPolarHBondContact CA-O 3.27Å |
| 630 | Y | 97 | Very high | 92.6 | Very high | 1 Ų | 1 | 43.8 Ų | 43.8 | 0% | 0.004 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 141.6 | -179.9 | -75.1 | -97.3 | 0 | 0 | 0 | 112.1 | F577 Y594 K595 V600 L617 I619 D626 V645 V646 L648 | F577-Y630 HydrophobicContact CE2-CD1 4.17Å; F577-Y630 HydrophobicContact CE2-CD2 4.35Å; F577-Y630 HydrophobicContact CE2-CG 4.06Å; F577-Y630 HydrophobicContact CZ-CD2 4.1Å; F577-Y630 HydrophobicContact CZ-CG 4.02Å; Y594-Y630 WeakPolarHBondContact O-CA 3.36Å; K595-Y630 HydrophobicContact CB-CD1 4.21Å; K595-Y630 HydrophobicContact CB-CE1 3.9Å; K595-Y630 HydrophobicContact CD-CE1 4.49Å; K595-Y630 HydrophobicContact CD-CE2 4.24Å; K595-Y630 HydrophobicContact CG-CD1 4.39Å; K595-Y630 HydrophobicContact CG-CD2 4.23Å; K595-Y630 HydrophobicContact CG-CE1 3.94Å; K595-Y630 HydrophobicContact CG-CE2 3.76Å; V600-Y630 HydrophobicContact CG2-CD1 4.4Å; V600-Y630 HydrophobicContact CG2-CE1 4.15Å; L617-Y630 HydrophobicContact CD2-CD1 4.07Å; L617-Y630 HydrophobicContact CD2-CE1 4.21Å; I619-Y630 HydrophobicContact CD1-CE1 4.21Å; D626-Y630 WeakPolarHBondContact O-CE2 3.21Å; D626-Y630 PolarHBondContact O-OH 3.45Å; Y630-V645 WeakPolarHBondContact O-CA 3.35Å; Y630-V646 PolarHBondContact N-O 3.43Å; Y630-V646 WeakPolarHBondContact O-CG2 3.49Å; Y630-V646 PolarHBondContact O-N 3.14Å; Y630-L648 HydrophobicContact CD2-CB 3.8Å; Y630-L648 HydrophobicContact CE2-CB 3.64Å; Y630-L648 HydrophobicContact CE2-CD1 3.93Å; Y630-L648 HydrophobicContact CE2-CG 4.36Å |
| 631 | F | 96.8 | Very high | 92.8 | Very high | 26 Ų | 26 | 41.2 Ų | 41.2 | 11% | 0.114 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.4 | 172 | 168.4 | 62.9 | -90.2 | 0 | 0 | 0 | 110.6 | Y594 V633 Q642 V645 | Y594-F631 VanDerWaalsContact CB-CE2 3.5Å; Y594-F631 HydrophobicContact CD1-CE2 4.31Å; Y594-F631 HydrophobicContact CD1-CZ 4.14Å; Y594-F631 HydrophobicContact CD2-CD2 4.14Å; Y594-F631 AromaticContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CE2 3.63Å; Y594-F631 HydrophobicContact CD2-CZ 4.24Å; Y594-F631 HydrophobicContact CE2-CE2 4.43Å; Y594-F631 HydrophobicContact CG-CD2 4.26Å; Y594-F631 HydrophobicContact CG-CE1 4.46Å; Y594-F631 AromaticContact CG-CE2 3.56Å; Y594-F631 HydrophobicContact CG-CE2 3.56Å; Y594-F631 AromaticContact CG-CZ 3.69Å; Y594-F631 HydrophobicContact CG-CZ 3.69Å; Y594-F631 PolarHBondContact N-O 2.81Å; Y594-F631 PolarHBondContact O-N 2.97Å; F631-V633 HydrophobicContact CD2-CG2 4.2Å; F631-V633 HydrophobicContact CE2-CG2 3.94Å; F631-Q642 HydrophobicContact CD2-CG 3.68Å; F631-Q642 HydrophobicContact CE2-CG 4.09Å; F631-Q642 HydrophobicContact CG-CG 4.43Å; F631-V645 HydrophobicContact CB-CG2 4.12Å; F631-V645 HydrophobicContact CD1-CG2 4.11Å; F631-V645 HydrophobicContact CG-CG2 4.34Å |
| 632 | C | 95.9 | Very high | 93 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 157 | 169.5 | 61.6 | 0 | 0 | 0 | 0 | 112.1 | F559 V591 E592 W593 S643 | F559-C632 VanDerWaalsContact CE1-SG 3.55Å; F559-C632 WeakPolarHBondContact CZ-SG 2.96Å; V591-C632 HydrophobicContact CG1-CB 3.83Å; E592-C632 CarbonylContact O-C 3.56Å; E592-C632 WeakPolarHBondContact O-CA 3.12Å; E592-C632 WeakPolarHBondContact O-CB 3.38Å; W593-C632 HydrophobicContact CD2-CB 3.77Å; W593-C632 HydrophobicContact CE3-CB 3.79Å; W593-C632 HydrophobicContact CG-CB 4.28Å; W593-C632 HydrophobicContact CH2-CB 4.39Å; W593-C632 HydrophobicContact CZ2-CB 4.35Å; W593-C632 HydrophobicContact CZ3-CB 4.12Å; C632-S643 PolarHBondContact N-OG 3.03Å; C632-S643 PolarHBondContact O-N 3.35Å; C632-S643 PolarHBondContact O-OG 3.44Å |
| 633 | V | 96.1 | Very high | 93.2 | Very high | 14 Ų | 14 | 42.5 Ų | 42.5 | 9% | 0.085 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 119.5 | 175.8 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | V591 E592 Y594 F631 R635 V641 Q642 | V591-V633 WeakPolarHBondContact CA-O 3.39Å; E592-V633 PolarHBondContact N-O 3.35Å; E592-V633 PolarHBondContact O-N 2.61Å; Y594-V633 HydrophobicContact CD2-CG2 3.93Å; Y594-V633 HydrophobicContact CE2-CB 4.02Å; Y594-V633 HydrophobicContact CE2-CG2 3.61Å; F631-V633 HydrophobicContact CD2-CG2 4.2Å; F631-V633 HydrophobicContact CE2-CG2 3.94Å; V633-R635 HydrophobicContact CG1-CG 4.19Å; V633-V641 CarbonylContact C-O 3.58Å; V633-V641 WeakPolarHBondContact CA-O 3.34Å; V633-Q642 HydrophobicContact CG2-CB 4.5Å; V633-Q642 HydrophobicContact CG2-CG 4.23Å |
| 634 | A | 95.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 140.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | P557 F559 V581 L589 T590 V591 Q640 V641 | P557-A634 HydrophobicContact CB-CB 3.88Å; P557-A634 HydrophobicContact CG-CB 4.29Å; P557-A634 WeakPolarHBondContact CG-O 3.32Å; F559-A634 HydrophobicContact CE1-CB 4.37Å; F559-A634 HydrophobicContact CE2-CB 4.26Å; F559-A634 HydrophobicContact CZ-CB 3.8Å; V581-A634 HydrophobicContact CG1-CB 3.83Å; V581-A634 HydrophobicContact CG2-CB 4.34Å; L589-A634 HydrophobicContact CD1-CB 4.46Å; T590-A634 CarbonylContact O-C 3.57Å; T590-A634 VanDerWaalsContact O-CA 3.3Å; T590-A634 WeakPolarHBondContact O-CA 3.2Å; V591-A634 HydrophobicContact CG2-CB 4.02Å; A634-Q640 CarbonylContact O-C 3.53Å; A634-Q640 VanDerWaalsContact O-CA 3.26Å; A634-Q640 WeakPolarHBondContact O-CA 3.47Å; A634-V641 HydrophobicContact CB-CG1 4.03Å; A634-V641 PolarHBondContact N-O 2.69Å; A634-V641 PolarHBondContact O-N 2.94Å |
| 635 | R | 93.6 | Very high | 93.8 | Very high | 72 Ų | 72 | 44.7 Ų | 44.7 | 27% | 0.272 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.4 | 142.7 | -177.6 | -52 | 178 | -177.4 | -72.4 | -6.3 | 109.8 | L589 T590 E592 Y594 V633 Q640 | L589-R635 CarbonylContact C-O 3.59Å; L589-R635 VanDerWaalsContact CA-O 3.32Å; L589-R635 WeakPolarHBondContact CA-O 3.27Å; T590-R635 PolarHBondContact N-O 3.19Å; T590-R635 PolarHBondContact O-N 2.99Å; E592-R635 VanDerWaalsContact CD-NE 3.27Å; E592-R635 IonicContact OE1-NE 2.73Å; E592-R635 PolarHBondContact OE1-NE 3.06Å; E592-R635 IonicContact OE2-CZ 2.7Å; E592-R635 IonicContact OE2-NE 3.21Å; E592-R635 PolarHBondContact OE2-NE 3.26Å; E592-R635 IonicContact OE2-NH2 2.77Å; E592-R635 PolarHBondContact OE2-NH2 3.32Å; Y594-R635 PolarHBondContact OH-NH2 3.32Å; V633-R635 HydrophobicContact CG1-CG 4.19Å; R635-Q640 HydrophobicContact CG-CB 4.34Å |
| 636 | N | 91.5 | Very high | 94.2 | Very high | 17 Ų | 17 | 40.2 Ų | 40.2 | 9% | 0.091 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.6 | -177.8 | 165.8 | 79.4 | -5.2 | 0 | 0 | 0 | 110.9 | N555 P557 D586 L589 A638 G639 | N555-N636 PolarHBondContact O-ND2 3.46Å; P557-N636 WeakPolarHBondContact CD-OD1 3.23Å; D586-N636 VanDerWaalsContact OD2-CB 3.23Å; D586-N636 WeakPolarHBondContact OD2-CB 3.37Å; D586-N636 PolarHBondContact OD2-ND2 3.49Å; L589-N636 HydrophobicContact CD1-CB 4.45Å; N636-A638 PolarHBondContact O-N 3.33Å; N636-A638 VanDerWaalsContact O-N 3.09Å; N636-A638 WeakPolarHBondContact OD1-CA 3.4Å; N636-A638 WeakPolarHBondContact OD1-CB 3.18Å; N636-A638 PolarHBondContact OD1-N 2.89Å; N636-G639 PolarHBondContact N-O 2.87Å; N636-G639 PolarHBondContact O-N 3.05Å; N636-G639 VanDerWaalsContact O-O 3.12Å; N636-G639 PolarHBondContact OD1-N 3.47Å |
| 637 | A | 87.9 | Confident | 94.3 | Very high | 82 Ų | 82 | 44.5 Ų | 44.5 | 68% | 0.678 | 26% | 0.26 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -13.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | P553 S588 | P553-A637 HydrophobicContact CG-CB 4.02Å; S588-A637 PolarHBondContact OG-N 3.47Å |
| 638 | A | 86.4 | Confident | 94.4 | Very high | 48 Ų | 48 | 41.9 Ų | 41.9 | 40% | 0.397 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -103.3 | -14 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114 | P553 N636 | P553-A638 HydrophobicContact CB-CB 4.41Å; N636-A638 PolarHBondContact O-N 3.33Å; N636-A638 VanDerWaalsContact O-N 3.09Å; N636-A638 WeakPolarHBondContact OD1-CA 3.4Å; N636-A638 WeakPolarHBondContact OD1-CB 3.18Å; N636-A638 PolarHBondContact OD1-N 2.89Å |
| 639 | G | 90.6 | Very high | 94.4 | Very high | 29 Ų | 29 | 44.9 Ų | 44.9 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.1 | -164.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | P557 N636 | P557-G639 WeakPolarHBondContact CD-O 3.42Å; N636-G639 PolarHBondContact N-O 2.87Å; N636-G639 PolarHBondContact O-N 3.05Å; N636-G639 VanDerWaalsContact O-O 3.12Å; N636-G639 PolarHBondContact OD1-N 3.47Å |
| 640 | Q | 94.4 | Very high | 94.1 | Very high | 130 Ų | 130 | 43.4 Ų | 43.4 | 61% | 0.607 | 24% | 0.243 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 151.3 | 176.4 | 64.4 | 178.1 | 3.7 | 0 | 0 | 110.4 | A634 R635 | A634-Q640 CarbonylContact O-C 3.53Å; A634-Q640 VanDerWaalsContact O-CA 3.26Å; A634-Q640 WeakPolarHBondContact O-CA 3.47Å; R635-Q640 HydrophobicContact CG-CB 4.34Å |
| 641 | V | 95.4 | Very high | 93.7 | Very high | 42 Ų | 42 | 48 Ų | 48 | 26% | 0.255 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.2 | 173.8 | 72.9 | 0 | 0 | 0 | 0 | 110.1 | P557 F559 V633 A634 | P557-V641 HydrophobicContact CB-CG1 3.84Å; P557-V641 HydrophobicContact CG-CB 4.26Å; P557-V641 HydrophobicContact CG-CG1 3.81Å; P557-V641 WeakPolarHBondContact O-CB 3.37Å; P557-V641 WeakPolarHBondContact O-CG1 3.4Å; F559-V641 HydrophobicContact CD2-CG1 3.7Å; F559-V641 HydrophobicContact CD2-CG2 4.35Å; F559-V641 HydrophobicContact CE2-CG1 3.61Å; V633-V641 CarbonylContact C-O 3.58Å; V633-V641 WeakPolarHBondContact CA-O 3.34Å; A634-V641 HydrophobicContact CB-CG1 4.03Å; A634-V641 PolarHBondContact N-O 2.69Å; A634-V641 PolarHBondContact O-N 2.94Å |
| 642 | Q | 96 | Very high | 92.8 | Very high | 106 Ų | 106 | 49.7 Ų | 49.7 | 50% | 0.495 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 142.1 | 176.7 | -170.1 | -177 | -1 | 0 | 0 | 109.8 | F631 V633 | F631-Q642 HydrophobicContact CD2-CG 3.68Å; F631-Q642 HydrophobicContact CE2-CG 4.09Å; F631-Q642 HydrophobicContact CG-CG 4.43Å; V633-Q642 HydrophobicContact CG2-CB 4.5Å; V633-Q642 HydrophobicContact CG2-CG 4.23Å |
| 643 | S | 95.5 | Very high | 91.8 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 173.1 | 174.1 | 72.5 | 0 | 0 | 0 | 0 | 111.1 | L563 C632 | L563-S643 WeakPolarHBondContact CD1-OG 3.34Å; C632-S643 PolarHBondContact N-OG 3.03Å; C632-S643 PolarHBondContact O-N 3.35Å; C632-S643 PolarHBondContact O-OG 3.44Å |
| 644 | N | 96 | Very high | 90.4 | Very high | 63 Ų | 63 | 61.4 Ų | 61.4 | 34% | 0.337 | 34% | 0.343 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 148.3 | 158.2 | 62.9 | -61.9 | 0 | 0 | 0 | 110 | P562 L563 V646 | P562-N644 WeakPolarHBondContact CA-OD1 3.3Å; P562-N644 WeakPolarHBondContact CB-OD1 3.44Å; L563-N644 PolarHBondContact N-OD1 3.26Å; L563-N644 PolarHBondContact O-ND2 2.81Å; N644-V646 VanDerWaalsContact ND2-CG1 3.34Å; N644-V646 WeakPolarHBondContact ND2-CG1 3.21Å |
| 645 | V | 96.6 | Very high | 88.9 | Confident | 79 Ų | 79 | 69.8 Ų | 69.8 | 48% | 0.479 | 38% | 0.382 | S | S | . | . | P | Polyproline II helix | trans | -83.6 | 138.9 | 171 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | A629 Y630 F631 | A629-V645 HydrophobicContact CB-CG1 3.76Å; Y630-V645 WeakPolarHBondContact O-CA 3.35Å; F631-V645 HydrophobicContact CB-CG2 4.12Å; F631-V645 HydrophobicContact CD1-CG2 4.11Å; F631-V645 HydrophobicContact CG-CG2 4.34Å |
| 646 | V | 96.7 | Very high | 87.3 | Confident | 11 Ų | 11 | 70.5 Ų | 70.5 | 7% | 0.067 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 154.8 | 178 | -70.2 | 0 | 0 | 0 | 0 | 111.3 | L563 P565 F577 A629 Y630 N644 | L563-V646 HydrophobicContact CB-CB 4.44Å; L563-V646 HydrophobicContact CB-CG1 3.69Å; L563-V646 HydrophobicContact CB-CG2 3.84Å; L563-V646 HydrophobicContact CD1-CG2 4.08Å; L563-V646 VanDerWaalsContact O-CG1 3.28Å; L563-V646 WeakPolarHBondContact O-CG1 3.39Å; P565-V646 HydrophobicContact CB-CB 4.29Å; F577-V646 HydrophobicContact CD1-CG2 3.91Å; F577-V646 HydrophobicContact CE1-CG2 3.6Å; A629-V646 CarbonylContact C-O 3.59Å; A629-V646 WeakPolarHBondContact CA-O 3.27Å; Y630-V646 PolarHBondContact N-O 3.43Å; Y630-V646 WeakPolarHBondContact O-CG2 3.49Å; Y630-V646 PolarHBondContact O-N 3.14Å; N644-V646 VanDerWaalsContact ND2-CG1 3.34Å; N644-V646 WeakPolarHBondContact ND2-CG1 3.21Å |
| 647 | E | 95.4 | Very high | 85.9 | Confident | 97 Ų | 97 | 74.5 Ų | 74.5 | 45% | 0.453 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | 140.5 | -179.3 | -160.9 | 180 | 177.6 | 0 | 0 | 111.3 | P565 Q566 Q649 | P565-E647 WeakPolarHBondContact CA-O 3.44Å; Q566-E647 PolarHBondContact N-O 3.3Å; E647-Q649 HydrophobicContact CG-CG 4.01Å; E647-Q649 WeakPolarHBondContact OE1-CG 3.18Å; E647-Q649 PolarHBondContact OE1-NE2 3.05Å; E647-Q649 PolarHBondContact OE2-NE2 3.43Å |
| 648 | L | 94.9 | Very high | 84.6 | Confident | 1 Ų | 1 | 73.8 Ų | 73.8 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 126.1 | 161.5 | -168.6 | 151.9 | 0 | 0 | 0 | 109 | Q566 L569 A575 F577 I619 D626 N627 G628 Y630 C650 | Q566-L648 HydrophobicContact CB-CG 4.43Å; Q566-L648 WeakPolarHBondContact O-CA 3.48Å; L569-L648 HydrophobicContact CD1-CD2 4.33Å; L569-L648 HydrophobicContact CD1-CG 4.21Å; A575-L648 HydrophobicContact CB-CD1 3.86Å; F577-L648 HydrophobicContact CE2-CD1 4.06Å; F577-L648 HydrophobicContact CZ-CB 4.28Å; F577-L648 HydrophobicContact CZ-CD1 4.04Å; I619-L648 HydrophobicContact CD1-CD1 3.54Å; D626-L648 HydrophobicContact CB-CD2 4.46Å; N627-L648 WeakPolarHBondContact CA-O 3.43Å; G628-L648 PolarHBondContact N-O 2.78Å; G628-L648 PolarHBondContact O-N 2.73Å; Y630-L648 HydrophobicContact CD2-CB 3.8Å; Y630-L648 HydrophobicContact CE2-CB 3.64Å; Y630-L648 HydrophobicContact CE2-CD1 3.93Å; Y630-L648 HydrophobicContact CE2-CG 4.36Å; L648-C650 HydrophobicContact CD2-CB 3.98Å |
| 649 | Q | 93.8 | Very high | 83.6 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 37% | 0.369 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 110.3 | 172.7 | -64.1 | 178.7 | -11.4 | 0 | 0 | 110.7 | Q566 V567 G568 L569 E647 | Q566-Q649 PolarHBondContact O-N 2.84Å; V567-Q649 HydrophobicContact CB-CB 4.19Å; V567-Q649 HydrophobicContact CB-CG 4.48Å; V567-Q649 HydrophobicContact CG1-CB 4.11Å; V567-Q649 HydrophobicContact CG1-CG 3.95Å; G568-Q649 PolarHBondContact N-O 3.26Å; G568-Q649 VanDerWaalsContact N-O 3.07Å; L569-Q649 PolarHBondContact N-O 2.99Å; E647-Q649 HydrophobicContact CG-CG 4.01Å; E647-Q649 WeakPolarHBondContact OE1-CG 3.18Å; E647-Q649 PolarHBondContact OE1-NE2 3.05Å; E647-Q649 PolarHBondContact OE2-NE2 3.43Å |
| 650 | C | 91.1 | Very high | 82.4 | Confident | 5 Ų | 5 | 77.6 Ų | 77.6 | 3% | 0.034 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 123.1 | 174.6 | -175.7 | 0 | 0 | 0 | 0 | 109.7 | L569 R570 E571 C622 N627 L648 | L569-C650 HydrophobicContact CB-CB 4.24Å; L569-C650 WeakPolarHBondContact O-CA 3.35Å; R570-C650 VanDerWaalsContact C-SG 3.52Å; E571-C650 PolarHBondContact N-SG 2.76Å; C622-C650 HydrophobicContact CB-CB 4.16Å; N627-C650 PolarHBondContact ND2-O 3.49Å; N627-C650 WeakPolarHBondContact OD1-CA 3.18Å; N627-C650 VanDerWaalsContact OD1-CB 3.28Å; N627-C650 WeakPolarHBondContact OD1-CB 3.39Å; N627-C650 PolarHBondContact OD1-N 2.86Å; N627-C650 PolarHBondContact OD1-O 2.91Å; L648-C650 HydrophobicContact CD2-CB 3.98Å |
| 651 | N | 87.9 | Confident | 81.5 | Confident | 97 Ų | 97 | 77.4 Ų | 77.4 | 52% | 0.519 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 129.6 | 176.1 | -68.6 | 89 | 0 | 0 | 0 | 110.4 | L569 E571 | L569-N651 PolarHBondContact O-N 2.83Å; L569-N651 PolarHBondContact O-OD1 3.17Å; E571-N651 PolarHBondContact N-O 3.3Å |
| 652 | A | 78.3 | Confident | 80.5 | Confident | 62 Ų | 62 | 79.3 Ų | 79.3 | 51% | 0.512 | 44% | 0.437 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 145.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | E571 P624 | E571-A652 WeakPolarHBondContact OE2-CA 3.42Å; P624-A652 HydrophobicContact CB-CB 4.48Å; P624-A652 HydrophobicContact CG-CB 3.53Å |
| 653 | D | 75.6 | Confident | 79.7 | Confident | 65 Ų | 65 | 76.6 Ų | 76.6 | 35% | 0.348 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -97 | 133.1 | 166.2 | -86.3 | -33.7 | 0 | 0 | 0 | 109.6 | R570 E571 H655 I656 | R570-D653 IonicContact NH1-OD1 2.87Å; R570-D653 PolarHBondContact NH1-OD1 3.07Å; R570-D653 IonicContact NH1-OD2 3.71Å; E571-D653 PolarHBondContact OE2-N 2.86Å; D653-H655 PolarHBondContact O-N 2.98Å; D653-I656 PolarHBondContact O-N 2.84Å; D653-I656 VanDerWaalsContact O-N 3.15Å |
| 654 | E | 66.6 | Low | 79 | Confident | 195 Ų | 195 | 85 Ų | 85 | 91% | 0.911 | 47% | 0.465 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.7 | 4.7 | -171.8 | -64 | -172.7 | 130.5 | 0 | 0 | 116.3 | ||
| 655 | H | 62.7 | Low | 78.2 | Confident | 176 Ų | 176 | 89.1 Ų | 89.1 | 82% | 0.815 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.3 | -1.7 | -177.6 | -63.6 | -22.6 | 0 | 0 | 0 | 113.8 | D653 | D653-H655 PolarHBondContact O-N 2.98Š|
| 656 | I | 59.5 | Low | 77.2 | Confident | 87 Ų | 87 | 87.8 Ų | 87.8 | 45% | 0.446 | 48% | 0.476 | S | S | . | . | trans | -111.4 | 119 | 177.3 | -52.9 | 179.9 | 0 | 0 | 0 | 109.4 | E571 D653 T658 | E571-I656 HydrophobicContact CG-CD1 4.23Å; E571-I656 WeakPolarHBondContact OE1-CB 3.34Å; E571-I656 VanDerWaalsContact OE1-CG2 3.28Å; E571-I656 WeakPolarHBondContact OE1-CG2 3.28Å; D653-I656 PolarHBondContact O-N 2.84Å; D653-I656 VanDerWaalsContact O-N 3.15Å; I656-T658 HydrophobicContact CG2-CG2 3.96Å; I656-T658 PolarHBondContact O-N 2.59Å | ||
| 657 | V | 62.1 | Low | 76.5 | Confident | 101 Ų | 101 | 89.6 Ų | 89.6 | 61% | 0.612 | 49% | 0.485 | S | S | * | . | trans | -90.2 | 88 | 174.8 | -175.3 | 0 | 0 | 0 | 0 | 108.1 | S659 V661 | V657-S659 VanDerWaalsContact C-N 3.3Å; V657-S659 WeakPolarHBondContact CG1-OG 3.37Å; V657-V661 HydrophobicContact CG1-CG1 3.87Å | ||
| 658 | T | 60.6 | Low | 75.8 | Confident | 67 Ų | 67 | 88.5 Ų | 88.5 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | trans | -76.9 | -17 | 173.2 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | E571 Y623 I656 | E571-T658 WeakPolarHBondContact OE1-CG2 3.47Å; Y623-T658 HydrophobicContact CD1-CG2 4.17Å; I656-T658 HydrophobicContact CG2-CG2 3.96Å; I656-T658 PolarHBondContact O-N 2.59Å | ||
| 659 | S | 65.6 | Low | 75.1 | Confident | 85 Ų | 85 | 95.4 Ų | 95.4 | 59% | 0.594 | 52% | 0.515 | S | S | * | . | S | Bend | trans | -72.1 | 148 | 173 | 56.5 | 0 | 0 | 0 | 0 | 111.9 | V657 V661 | V657-S659 VanDerWaalsContact C-N 3.3Å; V657-S659 WeakPolarHBondContact CG1-OG 3.37Å; S659-V661 PolarHBondContact O-N 2.83Å; S659-V661 VanDerWaalsContact O-N 3.16Å |
| 660 | S | 67 | Low | 74.3 | Confident | 71 Ų | 71 | 95.2 Ų | 95.2 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | trans | -62.9 | 118.9 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 111.6 | L662 | S660-L662 PolarHBondContact O-N 2.81Å; S660-L662 WeakPolarHBondContact OG-CB 3.38Å; S660-L662 WeakPolarHBondContact OG-CG 3.43Å; S660-L662 PolarHBondContact OG-N 2.97Å | ||
| 661 | V | 74.4 | Confident | 73.7 | Confident | 127 Ų | 127 | 100.7 Ų | 100.7 | 77% | 0.77 | 54% | 0.541 | S | S | * | . | trans | -77.7 | 7.4 | 174.3 | -70.7 | 0 | 0 | 0 | 0 | 113.7 | V657 S659 | V657-V661 HydrophobicContact CG1-CG1 3.87Å; S659-V661 PolarHBondContact O-N 2.83Å; S659-V661 VanDerWaalsContact O-N 3.16Å | ||
| 662 | L | 75.2 | Confident | 73.3 | Confident | 81 Ų | 81 | 98.4 Ų | 98.4 | 42% | 0.424 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -78 | 155.8 | 176 | -60.8 | 177.7 | 0 | 0 | 0 | 111.4 | S660 I667 L670 | S660-L662 PolarHBondContact O-N 2.81Å; S660-L662 WeakPolarHBondContact OG-CB 3.38Å; S660-L662 WeakPolarHBondContact OG-CG 3.43Å; S660-L662 PolarHBondContact OG-N 2.97Å; L662-I667 HydrophobicContact CB-CG1 3.95Å; L662-L670 HydrophobicContact CD1-CD1 3.39Å |
| 663 | S | 78.8 | Confident | 73.1 | Confident | 49 Ų | 49 | 99.2 Ų | 99.2 | 34% | 0.343 | 53% | 0.528 | S | S | . | . | trans | -65.8 | 160.6 | 175.8 | 89.3 | 0 | 0 | 0 | 0 | 111.1 | E665 S666 I667 | S663-E665 WeakPolarHBondContact CB-OE2 3.46Å; S663-E665 PolarHBondContact O-N 2.88Å; S663-E665 PolarHBondContact OG-N 2.96Å; S663-E665 PolarHBondContact OG-OE2 2.9Å; S663-S666 PolarHBondContact O-N 2.87Å; S663-S666 VanDerWaalsContact O-N 3.09Å; S663-S666 PolarHBondContact OG-N 2.92Å; S663-S666 VanDerWaalsContact OG-N 3.13Å; S663-S666 PolarHBondContact OG-OG 3.49Å; S663-I667 WeakPolarHBondContact O-CG1 3.39Å; S663-I667 PolarHBondContact O-N 2.7Å | ||
| 664 | K | 80.7 | Confident | 73 | Confident | 188 Ų | 188 | 100.5 Ų | 100.5 | 82% | 0.817 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -59 | -32.4 | 174.3 | -69.6 | -173.3 | 177.9 | -176.4 | 0 | 112.3 | S668 | K664-S668 VanDerWaalsContact O-CB 3.28Å; K664-S668 WeakPolarHBondContact O-CB 3.45Å; K664-S668 PolarHBondContact O-N 2.81Å |
| 665 | E | 78.8 | Confident | 73.2 | Confident | 149 Ų | 149 | 93.3 Ų | 93.3 | 70% | 0.696 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -68.1 | -45.1 | 173.8 | -53.5 | 109.5 | 165 | 0 | 0 | 111.2 | S663 I667 S668 Y669 | S663-E665 WeakPolarHBondContact CB-OE2 3.46Å; S663-E665 PolarHBondContact O-N 2.88Å; S663-E665 PolarHBondContact OG-N 2.96Å; S663-E665 PolarHBondContact OG-OE2 2.9Å; E665-I667 PolarHBondContact O-N 2.83Å; E665-S668 PolarHBondContact O-N 2.93Å; E665-Y669 WeakPolarHBondContact O-CB 3.28Å; E665-Y669 PolarHBondContact O-N 2.89Å |
| 666 | S | 76.6 | Confident | 73.5 | Confident | 50 Ų | 50 | 94.7 Ų | 94.7 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.1 | -38.6 | 176.8 | -59.6 | 0 | 0 | 0 | 0 | 112.8 | S663 Y669 L670 | S663-S666 PolarHBondContact O-N 2.87Å; S663-S666 VanDerWaalsContact O-N 3.09Å; S663-S666 PolarHBondContact OG-N 2.92Å; S663-S666 VanDerWaalsContact OG-N 3.13Å; S663-S666 PolarHBondContact OG-OG 3.49Å; S666-Y669 PolarHBondContact O-N 2.93Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 3.26Å |
| 667 | I | 80.2 | Confident | 73.5 | Confident | 50 Ų | 50 | 96.5 Ų | 96.5 | 26% | 0.256 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 173.8 | -66.1 | 168.5 | 0 | 0 | 0 | 110.1 | L662 S663 E665 Y669 L670 Q671 | L662-I667 HydrophobicContact CB-CG1 3.95Å; S663-I667 WeakPolarHBondContact O-CG1 3.39Å; S663-I667 PolarHBondContact O-N 2.7Å; E665-I667 PolarHBondContact O-N 2.83Å; I667-Y669 VanDerWaalsContact C-N 3.32Å; I667-Y669 PolarHBondContact O-N 3.21Å; I667-L670 PolarHBondContact O-N 2.75Å; I667-Q671 HydrophobicContact CG2-CG 4.36Å; I667-Q671 VanDerWaalsContact O-CB 3.31Å; I667-Q671 WeakPolarHBondContact O-CB 3.43Å; I667-Q671 VanDerWaalsContact O-CG 3.26Å; I667-Q671 WeakPolarHBondContact O-CG 3.28Å; I667-Q671 PolarHBondContact O-N 3.49Å |
| 668 | S | 80.7 | Confident | 73.4 | Confident | 73 Ų | 73 | 95 Ų | 95 | 51% | 0.51 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.4 | -36.5 | 175.9 | -170.2 | 0 | 0 | 0 | 0 | 112.4 | K664 E665 S672 | K664-S668 VanDerWaalsContact O-CB 3.28Å; K664-S668 WeakPolarHBondContact O-CB 3.45Å; K664-S668 PolarHBondContact O-N 2.81Å; E665-S668 PolarHBondContact O-N 2.93Å; S668-S672 WeakPolarHBondContact O-CB 3.43Å; S668-S672 PolarHBondContact O-N 3.45Å |
| 669 | Y | 81 | Confident | 73.4 | Confident | 147 Ų | 147 | 97.8 Ų | 97.8 | 58% | 0.576 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.4 | -45.2 | 176.2 | -179.1 | -108 | 0 | 0 | 0 | 112.1 | E665 S666 I667 S672 L673 | E665-Y669 WeakPolarHBondContact O-CB 3.28Å; E665-Y669 PolarHBondContact O-N 2.89Å; S666-Y669 PolarHBondContact O-N 2.93Å; I667-Y669 VanDerWaalsContact C-N 3.32Å; I667-Y669 PolarHBondContact O-N 3.21Å; Y669-S672 PolarHBondContact O-N 2.91Å; Y669-S672 VanDerWaalsContact O-N 3.15Å; Y669-S672 PolarHBondContact O-OG 2.97Å; Y669-L673 HydrophobicContact CD1-CD1 4.04Å; Y669-L673 HydrophobicContact CE1-CD1 3.51Å; Y669-L673 HydrophobicContact CE1-CG 4.27Å; Y669-L673 PolarHBondContact O-N 2.7Å |
| 670 | L | 77.3 | Confident | 73.1 | Confident | 75 Ų | 75 | 96.5 Ų | 96.5 | 39% | 0.393 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 172 | -71.7 | 176.7 | 0 | 0 | 0 | 111.3 | L662 S666 I667 S672 L673 D674 | L662-L670 HydrophobicContact CD1-CD1 3.39Å; S666-L670 WeakPolarHBondContact O-CG 3.42Å; S666-L670 PolarHBondContact O-N 3.26Å; I667-L670 PolarHBondContact O-N 2.75Å; L670-S672 PolarHBondContact O-N 2.83Å; L670-L673 HydrophobicContact CD2-CD1 4.45Å; L670-L673 CarbonylContact O-C 3.58Å; L670-L673 WeakPolarHBondContact O-CA 3.32Å; L670-L673 WeakPolarHBondContact O-CB 3.36Å; L670-L673 PolarHBondContact O-N 2.99Å; L670-D674 WeakPolarHBondContact O-CB 3.2Å; L670-D674 VanDerWaalsContact O-CG 3.26Å; L670-D674 PolarHBondContact O-N 3.06Å |
| 671 | Q | 78.9 | Confident | 72.5 | Confident | 120 Ų | 120 | 98.8 Ų | 98.8 | 56% | 0.561 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61 | -30.9 | 173.7 | -75 | 175.6 | -20.5 | 0 | 0 | 112.7 | I667 A675 | I667-Q671 HydrophobicContact CG2-CG 4.36Å; I667-Q671 VanDerWaalsContact O-CB 3.31Å; I667-Q671 WeakPolarHBondContact O-CB 3.43Å; I667-Q671 VanDerWaalsContact O-CG 3.26Å; I667-Q671 WeakPolarHBondContact O-CG 3.28Å; I667-Q671 PolarHBondContact O-N 3.49Å; Q671-A675 WeakPolarHBondContact O-CB 3.36Å; Q671-A675 PolarHBondContact O-N 2.59Å |
| 672 | S | 78 | Confident | 71.6 | Confident | 48 Ų | 48 | 95.1 Ų | 95.1 | 34% | 0.336 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.8 | -32.5 | 172.5 | 76.6 | 0 | 0 | 0 | 0 | 112.8 | S668 Y669 L670 W676 | S668-S672 WeakPolarHBondContact O-CB 3.43Å; S668-S672 PolarHBondContact O-N 3.45Å; Y669-S672 PolarHBondContact O-N 2.91Å; Y669-S672 VanDerWaalsContact O-N 3.15Å; Y669-S672 PolarHBondContact O-OG 2.97Å; L670-S672 PolarHBondContact O-N 2.83Å; S672-W676 WeakPolarHBondContact O-CB 3.48Å; S672-W676 PolarHBondContact O-N 2.77Å |
| 673 | L | 74.3 | Confident | 70.2 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 42% | 0.419 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -71.1 | -48.6 | 172 | -71.5 | 172.7 | 0 | 0 | 0 | 111.1 | Y669 L670 A675 W676 E677 | Y669-L673 HydrophobicContact CD1-CD1 4.04Å; Y669-L673 HydrophobicContact CE1-CD1 3.51Å; Y669-L673 HydrophobicContact CE1-CG 4.27Å; Y669-L673 PolarHBondContact O-N 2.7Å; L670-L673 HydrophobicContact CD2-CD1 4.45Å; L670-L673 CarbonylContact O-C 3.58Å; L670-L673 WeakPolarHBondContact O-CA 3.32Å; L670-L673 WeakPolarHBondContact O-CB 3.36Å; L670-L673 PolarHBondContact O-N 2.99Å; L673-A675 PolarHBondContact O-N 3.29Å; L673-W676 PolarHBondContact O-N 3.26Å; L673-W676 VanDerWaalsContact O-N 3.12Å; L673-E677 WeakPolarHBondContact O-CB 3.47Å; L673-E677 PolarHBondContact O-N 3.25Å |
| 674 | D | 73.6 | Confident | 68.6 | Low | 92 Ų | 92 | 100 Ų | 100 | 49% | 0.492 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -57.2 | -38.5 | 174 | -65 | -21.7 | 0 | 0 | 0 | 110.9 | L670 S678 | L670-D674 WeakPolarHBondContact O-CB 3.2Å; L670-D674 VanDerWaalsContact O-CG 3.26Å; L670-D674 PolarHBondContact O-N 3.06Å; D674-S678 WeakPolarHBondContact O-CA 3.21Å; D674-S678 WeakPolarHBondContact O-CB 2.99Å; D674-S678 PolarHBondContact O-N 3.13Å; D674-S678 PolarHBondContact O-OG 3.4Å |
| 675 | A | 71.8 | Confident | 67 | Low | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.5 | -38.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q671 L673 S678 D679 | Q671-A675 WeakPolarHBondContact O-CB 3.36Å; Q671-A675 PolarHBondContact O-N 2.59Å; L673-A675 PolarHBondContact O-N 3.29Å; A675-S678 PolarHBondContact O-N 3.19Å; A675-D679 WeakPolarHBondContact O-CB 3.19Å; A675-D679 PolarHBondContact O-N 2.64Å |
| 676 | W | 67.7 | Low | 65.4 | Low | 206 Ų | 206 | 95 Ų | 95 | 78% | 0.78 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 173.9 | -86.9 | 51.4 | 0 | 0 | 0 | 111.9 | S672 L673 A680 | S672-W676 WeakPolarHBondContact O-CB 3.48Å; S672-W676 PolarHBondContact O-N 2.77Å; L673-W676 PolarHBondContact O-N 3.26Å; L673-W676 VanDerWaalsContact O-N 3.12Å; W676-A680 WeakPolarHBondContact O-CB 3.07Å; W676-A680 PolarHBondContact O-N 2.68Å |
| 677 | E | 59.8 | Low | 63.7 | Low | 124 Ų | 124 | 99.8 Ų | 99.8 | 58% | 0.579 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.4 | -38.4 | 174 | -171.6 | 161.3 | -154.7 | 0 | 0 | 110.9 | L673 A680 M681 | L673-E677 WeakPolarHBondContact O-CB 3.47Å; L673-E677 PolarHBondContact O-N 3.25Å; E677-A680 PolarHBondContact O-N 2.72Å; E677-M681 HydrophobicContact CG-CG 4.37Å; E677-M681 VanDerWaalsContact O-CB 3.24Å; E677-M681 WeakPolarHBondContact O-CB 3.43Å; E677-M681 WeakPolarHBondContact O-CG 3.36Å; E677-M681 PolarHBondContact O-N 3.31Å |
| 678 | S | 60.2 | Low | 62.1 | Low | 71 Ų | 71 | 104.3 Ų | 104.3 | 50% | 0.497 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -68.5 | -40.3 | 174.6 | -63.6 | 0 | 0 | 0 | 0 | 113.2 | D674 A675 M681 A682 | D674-S678 WeakPolarHBondContact O-CA 3.21Å; D674-S678 WeakPolarHBondContact O-CB 2.99Å; D674-S678 PolarHBondContact O-N 3.13Å; D674-S678 PolarHBondContact O-OG 3.4Å; A675-S678 PolarHBondContact O-N 3.19Å; S678-M681 PolarHBondContact O-N 2.98Å; S678-A682 WeakPolarHBondContact O-CA 3.05Å; S678-A682 WeakPolarHBondContact O-CB 3.44Å; S678-A682 PolarHBondContact O-N 3.26Å |
| 679 | D | 61.4 | Low | 60.4 | Low | 125 Ų | 125 | 111.7 Ų | 111.7 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -72 | -34.1 | 176.2 | -82.2 | -25.1 | 0 | 0 | 0 | 111.3 | A675 G683 | A675-D679 WeakPolarHBondContact O-CB 3.19Å; A675-D679 PolarHBondContact O-N 2.64Å; D679-G683 PolarHBondContact O-N 2.93Å |
| 680 | A | 59.4 | Low | 58.7 | Low | 58 Ų | 58 | 111.6 Ų | 111.6 | 48% | 0.479 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -65.2 | -45.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | W676 E677 G683 Y684 | W676-A680 WeakPolarHBondContact O-CB 3.07Å; W676-A680 PolarHBondContact O-N 2.68Å; E677-A680 PolarHBondContact O-N 2.72Å; A680-G683 PolarHBondContact O-N 3.15Å; A680-Y684 WeakPolarHBondContact O-CD2 3.17Å |
| 681 | M | 54.6 | Low | 57.7 | Low | 118 Ų | 118 | 117 Ų | 117 | 58% | 0.581 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -80.9 | -33.8 | -177.7 | -68.8 | -66.3 | -175.5 | 0 | 0 | 113.7 | E677 S678 G683 Y684 D685 | E677-M681 HydrophobicContact CG-CG 4.37Å; E677-M681 VanDerWaalsContact O-CB 3.24Å; E677-M681 WeakPolarHBondContact O-CB 3.43Å; E677-M681 WeakPolarHBondContact O-CG 3.36Å; E677-M681 PolarHBondContact O-N 3.31Å; S678-M681 PolarHBondContact O-N 2.98Å; M681-G683 PolarHBondContact O-N 3.48Å; M681-Y684 WeakPolarHBondContact O-CB 3.38Å; M681-Y684 PolarHBondContact O-N 2.83Å; M681-D685 PolarHBondContact O-N 3.46Å |
| 682 | A | 55.5 | Low | 56.9 | Low | 50 Ų | 50 | 118.3 Ų | 118.3 | 41% | 0.413 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66.1 | -20 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S678 Y684 T686 | S678-A682 WeakPolarHBondContact O-CA 3.05Å; S678-A682 WeakPolarHBondContact O-CB 3.44Å; S678-A682 PolarHBondContact O-N 3.26Å; A682-Y684 PolarHBondContact O-N 2.94Å; A682-T686 PolarHBondContact O-N 2.94Å; A682-T686 PolarHBondContact O-OG1 3.07Å |
| 683 | G | 44.8 | Very low | 56.6 | Low | 25 Ų | 25 | 121.8 Ų | 121.8 | 26% | 0.258 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -65.3 | -16.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 115 | D679 A680 M681 | D679-G683 PolarHBondContact O-N 2.93Å; A680-G683 PolarHBondContact O-N 3.15Å; M681-G683 PolarHBondContact O-N 3.48Å |
| 684 | Y | 46.3 | Very low | 56.9 | Low | 207 Ų | 207 | 123 Ų | 123 | 81% | 0.812 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -102.6 | -23.5 | -178.9 | -86.5 | -92.5 | 0 | 0 | 0 | 114.9 | A680 M681 A682 | A680-Y684 WeakPolarHBondContact O-CD2 3.17Å; M681-Y684 WeakPolarHBondContact O-CB 3.38Å; M681-Y684 PolarHBondContact O-N 2.83Å; A682-Y684 PolarHBondContact O-N 2.94Å |
| 685 | D | 46.3 | Very low | 57.5 | Low | 156 Ų | 156 | 122.6 Ų | 122.6 | 83% | 0.834 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -113.7 | 9.4 | -179.9 | -157.5 | 32.1 | 0 | 0 | 0 | 113.5 | M681 | M681-D685 PolarHBondContact O-N 3.46Å |
| 686 | T | 46 | Very low | 58.3 | Low | 77 Ų | 77 | 123.2 Ų | 123.2 | 47% | 0.472 | 63% | 0.633 | S | S | . | * | S | Bend | trans | -106.1 | 138.9 | 162 | 58.2 | 0 | 0 | 0 | 0 | 109.9 | A682 K688 | A682-T686 PolarHBondContact O-N 2.94Å; A682-T686 PolarHBondContact O-OG1 3.07Å; T686-K688 PolarHBondContact O-N 3.15Å |
| 687 | V | 40.3 | Very low | 59.5 | Low | 151 Ų | 151 | 116 Ų | 116 | 92% | 0.915 | 62% | 0.618 | S | S | * | * | trans | -73.7 | 72.9 | 177.1 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | R689 | V687-R689 PolarHBondContact O-N 2.74Š| ||
| 688 | K | 45.3 | Very low | 61.2 | Low | 144 Ų | 144 | 110.7 Ų | 110.7 | 63% | 0.626 | 59% | 0.594 | S | S | * | * | trans | -65.3 | 127.2 | 158 | -69.5 | -176.3 | -179.8 | 177.3 | 0 | 106.9 | T686 | T686-K688 PolarHBondContact O-N 3.15Š| ||
| 689 | R | 45.3 | Very low | 62.8 | Low | 228 Ų | 228 | 110.2 Ų | 110.2 | 86% | 0.86 | 59% | 0.59 | S | S | * | * | trans | -54.8 | 149.2 | 171.8 | -76.6 | 178.2 | 170.4 | 142.4 | -3.7 | 109.6 | V687 E691 | V687-R689 PolarHBondContact O-N 2.74Å; R689-E691 PolarHBondContact O-N 3.5Å | ||
| 690 | D | 46.2 | Very low | 64.3 | Low | 145 Ų | 145 | 105.7 Ų | 105.7 | 78% | 0.775 | 57% | 0.565 | S | S | * | * | trans | -58.9 | 91.5 | -175.7 | -45.5 | -100.3 | 0 | 0 | 0 | 111.9 | E692 | D690-E692 HydrophobicContact CB-CG 4.25Å; D690-E692 PolarHBondContact O-N 3.06Å; D690-E692 VanDerWaalsContact O-N 3.15Å | ||
| 691 | E | 56.4 | Low | 65.8 | Low | 188 Ų | 188 | 106.9 Ų | 106.9 | 88% | 0.879 | 56% | 0.563 | S | S | * | * | trans | -74.7 | 85.5 | 148.3 | -68.4 | -164.1 | 155.2 | 0 | 0 | 106.2 | R689 E693 | R689-E691 PolarHBondContact O-N 3.5Å; E691-E693 PolarHBondContact O-N 3.23Å; E691-E693 VanDerWaalsContact O-N 3.16Å | ||
| 692 | E | 62.5 | Low | 67.7 | Low | 148 Ų | 148 | 104.9 Ų | 104.9 | 69% | 0.692 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 118.6 | 176.1 | -62.6 | -174.6 | 140 | 0 | 0 | 109.2 | D690 Y724 | D690-E692 HydrophobicContact CB-CG 4.25Å; D690-E692 PolarHBondContact O-N 3.06Å; D690-E692 VanDerWaalsContact O-N 3.15Å; E692-Y724 HydrophobicContact CB-CE1 4.23Å |
| 693 | E | 70.5 | Confident | 69.5 | Low | 122 Ų | 122 | 107.8 Ų | 107.8 | 57% | 0.57 | 56% | 0.562 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 142.2 | 174.3 | -72.6 | -171.6 | 127 | 0 | 0 | 109.5 | E691 P695 Y724 | E691-E693 PolarHBondContact O-N 3.23Å; E691-E693 VanDerWaalsContact O-N 3.16Å; E693-P695 VanDerWaalsContact O-N 3.12Å; E693-Y724 HydrophobicContact CB-CD1 4.4Å; E693-Y724 HydrophobicContact CB-CD2 3.68Å; E693-Y724 HydrophobicContact CB-CE2 4.17Å; E693-Y724 HydrophobicContact CB-CG 3.8Å; E693-Y724 HydrophobicContact CG-CD2 4.31Å; E693-Y724 WeakPolarHBondContact O-CD1 3.46Å; E693-Y724 WeakPolarHBondContact O-CE1 3.35Å |
| 694 | P | 80.7 | Confident | 71.9 | Confident | 105 Ų | 105 | 107 Ų | 107 | 68% | 0.682 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 123.6 | -177.6 | 22.4 | -33.2 | 0 | 0 | 0 | 109.9 | C696 | P694-C696 PolarHBondContact O-N 3.13Å; P694-C696 VanDerWaalsContact O-N 3.14Å; P694-C696 PolarHBondContact O-SG 2.98Å; P694-C696 VanDerWaalsContact O-SG 3.37Å |
| 695 | P | 86.3 | Confident | 74.2 | Confident | 83 Ų | 83 | 102.5 Ų | 102.5 | 54% | 0.539 | 55% | 0.546 | S | S | . | . | P | Polyproline II helix | trans | -63.6 | 121.2 | -168.1 | 23.5 | -34.2 | 0 | 0 | 0 | 110.6 | E693 Y724 M779 | E693-P695 VanDerWaalsContact O-N 3.12Å; P695-Y724 CarbonylContact C-O 3.48Å; P695-Y724 WeakPolarHBondContact CA-O 3.45Å; P695-M779 HydrophobicContact CB-CE 4.1Å; P695-M779 HydrophobicContact CB-CG 3.91Å; P695-M779 HydrophobicContact CB-SD 3.92Å; P695-M779 HydrophobicContact CG-CE 4.45Å |
| 696 | C | 89.5 | Confident | 76.5 | Confident | 56 Ų | 56 | 97.9 Ų | 97.9 | 38% | 0.378 | 53% | 0.529 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.3 | 141.2 | -169.9 | 49.5 | 0 | 0 | 0 | 0 | 111.4 | P694 Y724 N777 | P694-C696 PolarHBondContact O-N 3.13Å; P694-C696 VanDerWaalsContact O-N 3.14Å; P694-C696 PolarHBondContact O-SG 2.98Å; P694-C696 VanDerWaalsContact O-SG 3.37Å; C696-Y724 PolarHBondContact N-O 2.83Å; C696-Y724 PolarHBondContact O-N 2.84Å; C696-Y724 VanDerWaalsContact O-N 3.15Å; C696-Y724 VanDerWaalsContact O-O 3.05Å; C696-Y724 PolarHBondContact SG-N 3.48Å; C696-N777 PolarHBondContact O-ND2 2.68Å |
| 697 | A | 92.6 | Very high | 78.8 | Confident | 56 Ų | 56 | 95.8 Ų | 95.8 | 46% | 0.463 | 52% | 0.516 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.2 | 151.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | M779 | A697-M779 HydrophobicContact CB-CB 4.46Å |
| 698 | P | 94.2 | Very high | 81.4 | Confident | 11 Ų | 11 | 92.2 Ų | 92.2 | 7% | 0.071 | 50% | 0.495 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 148.4 | -176.8 | 28.2 | -33.8 | 0 | 0 | 0 | 112 | G722 P727 A775 N777 G780 A782 | P698-G722 VanDerWaalsContact CA-O 3.25Å; P698-G722 WeakPolarHBondContact CA-O 3.36Å; P698-P727 HydrophobicContact CB-CB 3.9Å; P698-P727 HydrophobicContact CB-CG 4.13Å; P698-A775 HydrophobicContact CB-CB 3.86Å; P698-A775 HydrophobicContact CG-CB 4.41Å; P698-A775 VanDerWaalsContact CG-O 3.29Å; P698-A775 WeakPolarHBondContact CG-O 3.32Å; P698-N777 WeakPolarHBondContact CD-OD1 3.32Å; P698-G780 VanDerWaalsContact CD-C 3.42Å; P698-G780 WeakPolarHBondContact CD-O 3.32Å; P698-G780 WeakPolarHBondContact CG-O 3.13Å; P698-A782 HydrophobicContact CB-CB 4.36Å; P698-A782 HydrophobicContact CG-CB 4.11Å; P698-A782 VanDerWaalsContact O-CB 3.28Å; P698-A782 WeakPolarHBondContact O-CB 3.24Å |
| 699 | S | 94 | Very high | 83.7 | Confident | 61 Ų | 61 | 86.6 Ų | 86.6 | 43% | 0.427 | 47% | 0.473 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 138.2 | 175.3 | 56.8 | 0 | 0 | 0 | 0 | 110.1 | D701 A721 G722 | S699-D701 PolarHBondContact O-N 2.67Å; S699-A721 CarbonylContact O-C 3.49Å; S699-A721 WeakPolarHBondContact O-CA 3.28Å; S699-G722 PolarHBondContact N-O 2.82Å; S699-G722 PolarHBondContact O-N 2.96Å |
| 700 | F | 94.2 | Very high | 85.9 | Confident | 31 Ų | 31 | 78.5 Ų | 78.5 | 14% | 0.136 | 45% | 0.449 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | 106.7 | 174.4 | -77.9 | -73.6 | 0 | 0 | 0 | 111 | I702 L703 V719 K720 A721 A773 A775 A782 A784 | F700-I702 VanDerWaalsContact C-N 3.33Å; F700-L703 HydrophobicContact CB-CD2 3.72Å; F700-L703 HydrophobicContact CG-CD2 4.49Å; F700-V719 HydrophobicContact CD1-CB 3.9Å; F700-V719 HydrophobicContact CD1-CG1 4.36Å; F700-V719 HydrophobicContact CD1-CG2 4.44Å; F700-V719 HydrophobicContact CE1-CB 3.75Å; F700-V719 HydrophobicContact CE1-CG1 4.21Å; F700-V719 HydrophobicContact CE1-CG2 3.83Å; F700-K720 CarbonylContact C-O 3.6Å; F700-K720 VanDerWaalsContact CA-O 3.31Å; F700-K720 WeakPolarHBondContact CA-O 3.34Å; F700-A721 HydrophobicContact CD1-CB 3.99Å; F700-A721 HydrophobicContact CE1-CB 3.97Å; F700-A773 HydrophobicContact CE1-CB 4.15Å; F700-A773 HydrophobicContact CZ-CB 3.84Å; F700-A775 HydrophobicContact CE1-CB 4.21Å; F700-A775 HydrophobicContact CE2-CB 4.01Å; F700-A775 HydrophobicContact CZ-CB 3.69Å; F700-A782 HydrophobicContact CD2-CB 4.21Å; F700-A782 HydrophobicContact CE2-CB 4.3Å; F700-A782 WeakPolarHBondContact CE2-O 3.48Å; F700-A784 HydrophobicContact CD2-CB 3.65Å; F700-A784 HydrophobicContact CE2-CB 3.89Å; F700-A784 HydrophobicContact CG-CB 4.01Å; F700-A784 HydrophobicContact CZ-CB 4.44Å |
| 701 | D | 90.9 | Very high | 88 | Confident | 82 Ų | 82 | 75 Ų | 75 | 44% | 0.439 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.4 | -32.7 | 172.6 | -53.4 | -9 | 0 | 0 | 0 | 111.3 | S699 K720 | S699-D701 PolarHBondContact O-N 2.67Å; D701-K720 HydrophobicContact CB-CB 4.28Å; D701-K720 HydrophobicContact CB-CD 3.99Å; D701-K720 HydrophobicContact CB-CG 4.14Å; D701-K720 PolarHBondContact N-O 3.34Å; D701-K720 VanDerWaalsContact OD2-CE 3.24Å; D701-K720 WeakPolarHBondContact OD2-CE 3.38Å; D701-K720 IonicContact OD2-NZ 3.43Å; D701-K720 PolarHBondContact OD2-NZ 3.38Å |
| 702 | I | 93.1 | Very high | 89.5 | Confident | 77 Ų | 77 | 67 Ų | 67 | 40% | 0.395 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 122 | 174.9 | -55.8 | 174.2 | 0 | 0 | 0 | 108.2 | F700 L718 V719 K720 | F700-I702 VanDerWaalsContact C-N 3.33Å; I702-L718 HydrophobicContact CB-CD2 4.24Å; I702-L718 HydrophobicContact CD1-CD2 4.05Å; I702-L718 HydrophobicContact CG2-CD2 3.7Å; I702-V719 WeakPolarHBondContact O-CA 3.47Å; I702-K720 HydrophobicContact CB-CB 3.85Å; I702-K720 HydrophobicContact CD1-CB 3.87Å; I702-K720 HydrophobicContact CD1-CD 4.29Å; I702-K720 HydrophobicContact CG1-CB 3.83Å; I702-K720 PolarHBondContact N-O 3.15Å; I702-K720 PolarHBondContact O-N 3.45Å; I702-K720 VanDerWaalsContact O-N 3.14Å |
| 703 | L | 94.6 | Very high | 90.8 | Very high | 111 Ų | 111 | 61.6 Ų | 61.6 | 58% | 0.581 | 38% | 0.375 | S | S | * | . | P | Polyproline II helix | trans | -90.4 | 150.8 | 178.1 | -62.3 | 171.8 | 0 | 0 | 0 | 110.9 | F700 V705 A784 | F700-L703 HydrophobicContact CB-CD2 3.72Å; F700-L703 HydrophobicContact CG-CD2 4.49Å; L703-V705 PolarHBondContact O-N 3.1Å; L703-A784 HydrophobicContact CD2-CB 3.62Å |
| 704 | P | 94.1 | Very high | 91.9 | Very high | 9 Ų | 9 | 59.5 Ų | 59.5 | 6% | 0.058 | 37% | 0.372 | C | S | . | . | P | Polyproline II helix | trans | -77.7 | 125.2 | -178.2 | 31.5 | -30.2 | 0 | 0 | 0 | 110.9 | F717 V719 W731 A784 T786 | P704-F717 HydrophobicContact CB-CB 4.49Å; P704-F717 HydrophobicContact CB-CD1 4.48Å; P704-V719 HydrophobicContact CB-CG1 3.71Å; P704-V719 HydrophobicContact CG-CG1 3.82Å; P704-W731 HydrophobicContact CB-CH2 4.37Å; P704-W731 HydrophobicContact CB-CZ3 4.41Å; P704-A784 HydrophobicContact CG-CB 4.17Å; P704-T786 HydrophobicContact CB-CG2 3.75Å; P704-T786 HydrophobicContact CG-CG2 3.9Å; P704-T786 WeakPolarHBondContact O-CB 3.36Å; P704-T786 PolarHBondContact O-OG1 2.79Å; P704-T786 VanDerWaalsContact O-OG1 3.08Å |
| 705 | V | 94.2 | Very high | 92.5 | Very high | 112 Ų | 112 | 54.7 Ų | 54.7 | 68% | 0.679 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -75.7 | 145.8 | -178.9 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | L703 F717 T786 | L703-V705 PolarHBondContact O-N 3.1Å; V705-F717 VanDerWaalsContact O-CD1 3.29Å; V705-F717 WeakPolarHBondContact O-CD1 3.28Å; V705-F717 VanDerWaalsContact O-CE1 3.23Å; V705-F717 WeakPolarHBondContact O-CE1 3.12Å; V705-T786 VanDerWaalsContact C-OG1 3.31Å; V705-T786 PolarHBondContact O-OG1 2.94Å |
| 706 | A | 94.9 | Very high | 92.8 | Very high | 58 Ų | 58 | 56.7 Ų | 56.7 | 48% | 0.479 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 142.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | T786 I787 | A706-T786 VanDerWaalsContact CA-OG1 3.23Å; A706-T786 WeakPolarHBondContact CA-OG1 3.43Å; A706-T786 PolarHBondContact N-OG1 2.94Å; A706-T786 VanDerWaalsContact N-OG1 3.11Å; A706-I787 WeakPolarHBondContact CA-O 3.4Å; A706-I787 HydrophobicContact CB-CG1 3.89Å |
| 707 | V | 94.4 | Very high | 93.1 | Very high | 33 Ų | 33 | 54.2 Ų | 54.2 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 133.7 | -172.4 | 174 | 0 | 0 | 0 | 0 | 110.3 | V709 A715 F717 I787 L788 I789 | V707-V709 HydrophobicContact CG1-CG1 3.85Å; V707-A715 HydrophobicContact CG1-CB 4.25Å; V707-F717 HydrophobicContact CB-CE1 4Å; V707-F717 HydrophobicContact CB-CZ 3.83Å; V707-F717 HydrophobicContact CG2-CD1 4.36Å; V707-F717 HydrophobicContact CG2-CE1 3.7Å; V707-F717 HydrophobicContact CG2-CZ 3.91Å; V707-I787 PolarHBondContact N-O 3.17Å; V707-L788 HydrophobicContact CB-CD1 4.13Å; V707-L788 HydrophobicContact CG1-CD1 3.99Å; V707-L788 CarbonylContact O-C 3.51Å; V707-L788 WeakPolarHBondContact O-CA 3.33Å; V707-I789 PolarHBondContact O-N 3.42Å |
| 708 | T | 95.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 55.1 Ų | 55.1 | 47% | 0.472 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.5 | 169.2 | -55.3 | 0 | 0 | 0 | 0 | 109.2 | I789 E791 | T708-I789 WeakPolarHBondContact CA-O 3.29Å; T708-I789 HydrophobicContact CG2-CB 4.07Å; T708-I789 HydrophobicContact CG2-CG2 4.13Å; T708-E791 HydrophobicContact CG2-CG 3.88Å |
| 709 | V | 93.3 | Very high | 93.3 | Very high | 26 Ų | 26 | 54.6 Ų | 54.6 | 16% | 0.158 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 157.2 | -178.4 | -75.7 | 0 | 0 | 0 | 0 | 110.6 | V707 A715 V763 L788 I789 I790 E791 | V707-V709 HydrophobicContact CG1-CG1 3.85Å; V709-A715 HydrophobicContact CG2-CB 4.29Å; V709-V763 HydrophobicContact CG2-CG1 3.98Å; V709-V763 HydrophobicContact CG2-CG2 3.96Å; V709-L788 HydrophobicContact CG2-CD1 3.68Å; V709-I789 PolarHBondContact N-O 3.46Å; V709-I790 CarbonylContact O-C 3.43Å; V709-I790 WeakPolarHBondContact O-CA 3.32Å; V709-E791 PolarHBondContact O-N 3.04Å |
| 710 | T | 91.3 | Very high | 93.3 | Very high | 58 Ų | 58 | 55.5 Ų | 55.5 | 36% | 0.356 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 152 | 169.3 | 50.7 | 0 | 0 | 0 | 0 | 112 | G712 S713 V763 E791 | T710-G712 PolarHBondContact O-N 2.92Å; T710-S713 WeakPolarHBondContact O-CB 3.46Å; T710-S713 PolarHBondContact O-N 2.82Å; T710-S713 VanDerWaalsContact O-N 3.11Å; T710-S713 PolarHBondContact O-OG 2.68Å; T710-S713 PolarHBondContact OG1-OG 2.94Å; T710-V763 WeakPolarHBondContact O-CG2 3.37Å; T710-E791 CarbonylContact C-O 3.57Å; T710-E791 WeakPolarHBondContact CA-O 3.22Å; T710-E791 HydrophobicContact CG2-CB 4.48Å |
| 711 | E | 90.6 | Very high | 93.2 | Very high | 70 Ų | 70 | 54.2 Ų | 54.2 | 33% | 0.327 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -43.9 | 134.1 | 170.8 | 177.7 | 166.7 | -155.2 | 0 | 0 | 112.6 | S713 P766 I790 E791 Q793 | E711-S713 VanDerWaalsContact C-N 3.29Å; E711-S713 PolarHBondContact O-N 3.28Å; E711-P766 HydrophobicContact CB-CG 4.32Å; E711-P766 VanDerWaalsContact OE2-CG 3.3Å; E711-P766 WeakPolarHBondContact OE2-CG 3.37Å; E711-I790 HydrophobicContact CB-CG2 4.31Å; E711-E791 PolarHBondContact N-O 3.32Å; E711-Q793 HydrophobicContact CB-CB 4.14Å |
| 712 | G | 87.6 | Confident | 93.2 | Very high | 21 Ų | 21 | 51.3 Ų | 51.3 | 22% | 0.216 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.4 | -8.3 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | T710 R762 V763 | T710-G712 PolarHBondContact O-N 2.92Å; G712-R762 WeakPolarHBondContact O-CG 3.32Å; G712-R762 PolarHBondContact O-NH1 3.12Å; G712-V763 WeakPolarHBondContact CA-O 3.28Å; G712-V763 PolarHBondContact N-O 3.16Å |
| 713 | S | 91.1 | Very high | 93 | Very high | 35 Ų | 35 | 48.5 Ų | 48.5 | 25% | 0.245 | 29% | 0.288 | C | S | . | . | trans | -78.7 | 159 | 174.5 | -64.6 | 0 | 0 | 0 | 0 | 112.9 | T710 E711 R762 V763 | T710-S713 WeakPolarHBondContact O-CB 3.46Å; T710-S713 PolarHBondContact O-N 2.82Å; T710-S713 VanDerWaalsContact O-N 3.11Å; T710-S713 PolarHBondContact O-OG 2.68Å; T710-S713 PolarHBondContact OG1-OG 2.94Å; E711-S713 VanDerWaalsContact C-N 3.29Å; E711-S713 PolarHBondContact O-N 3.28Å; S713-R762 CarbonylContact O-C 3.57Å; S713-R762 WeakPolarHBondContact O-CA 3.42Å; S713-V763 WeakPolarHBondContact O-CG2 3.44Å; S713-V763 PolarHBondContact O-N 2.76Å | ||
| 714 | P | 93.1 | Very high | 92.6 | Very high | 78 Ų | 78 | 46.3 Ų | 46.3 | 51% | 0.506 | 27% | 0.272 | S | S | . | . | trans | -78.7 | 153.7 | 172 | 32.8 | -34.8 | 0 | 0 | 0 | 112 | F760 | P714-F760 WeakPolarHBondContact CA-O 3.47Å; P714-F760 WeakPolarHBondContact CB-O 3.35Å | ||
| 715 | A | 93.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 48.5 Ų | 48.5 | 3% | 0.033 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 144.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.9 | V707 V709 F717 F760 V763 L788 | V707-A715 HydrophobicContact CG1-CB 4.25Å; V709-A715 HydrophobicContact CG2-CB 4.29Å; A715-F717 HydrophobicContact CB-CE2 4.43Å; A715-F760 HydrophobicContact CB-CB 4.29Å; A715-F760 HydrophobicContact CB-CD2 4.16Å; A715-F760 PolarHBondContact N-O 2.72Å; A715-F760 VanDerWaalsContact N-O 3.07Å; A715-F760 PolarHBondContact O-N 2.86Å; A715-V763 HydrophobicContact CB-CG1 3.8Å; A715-L788 HydrophobicContact CB-CD1 3.78Å; A715-L788 HydrophobicContact CB-CD2 4.29Å |
| 716 | K | 93.6 | Very high | 92.1 | Very high | 125 Ų | 125 | 50.1 Ų | 50.1 | 54% | 0.543 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 140.3 | -177.2 | -54 | -164.5 | -172.8 | -148.5 | 0 | 112.1 | L758 E759 | K716-L758 CarbonylContact C-O 3.52Å; K716-L758 WeakPolarHBondContact CA-O 3.34Å; K716-E759 HydrophobicContact CD-CG 4.25Å; K716-E759 WeakPolarHBondContact CE-OE1 3.5Å; K716-E759 WeakPolarHBondContact CE-OE2 3.4Å; K716-E759 HydrophobicContact CG-CB 4.27Å; K716-E759 HydrophobicContact CG-CG 4.07Å; K716-E759 IonicContact NZ-OE1 3.43Å; K716-E759 PolarHBondContact NZ-OE1 2.93Å; K716-E759 IonicContact NZ-OE2 3.53Å; K716-E759 PolarHBondContact NZ-OE2 2.78Å |
| 717 | F | 95.4 | Very high | 91.8 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.018 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 130.7 | 175.2 | -59.9 | -86.8 | 0 | 0 | 0 | 109.4 | P704 V705 V707 A715 W731 N757 L758 F760 I771 T786 L788 | P704-F717 HydrophobicContact CB-CB 4.49Å; P704-F717 HydrophobicContact CB-CD1 4.48Å; V705-F717 VanDerWaalsContact O-CD1 3.29Å; V705-F717 WeakPolarHBondContact O-CD1 3.28Å; V705-F717 VanDerWaalsContact O-CE1 3.23Å; V705-F717 WeakPolarHBondContact O-CE1 3.12Å; V707-F717 HydrophobicContact CB-CE1 4Å; V707-F717 HydrophobicContact CB-CZ 3.83Å; V707-F717 HydrophobicContact CG2-CD1 4.36Å; V707-F717 HydrophobicContact CG2-CE1 3.7Å; V707-F717 HydrophobicContact CG2-CZ 3.91Å; A715-F717 HydrophobicContact CB-CE2 4.43Å; F717-W731 HydrophobicContact CB-CH2 3.54Å; F717-W731 HydrophobicContact CB-CZ3 3.77Å; F717-N757 CarbonylContact O-C 3.57Å; F717-N757 VanDerWaalsContact O-CA 3.28Å; F717-N757 WeakPolarHBondContact O-CA 3.14Å; F717-L758 HydrophobicContact CB-CB 4.42Å; F717-L758 PolarHBondContact N-O 3.02Å; F717-L758 PolarHBondContact O-N 2.84Å; F717-F760 HydrophobicContact CD2-CD2 4.44Å; F717-F760 HydrophobicContact CD2-CE2 4.07Å; F717-F760 HydrophobicContact CE2-CD2 4.17Å; F717-F760 AromaticContact CE2-CE2 3.8Å; F717-F760 HydrophobicContact CE2-CE2 3.8Å; F717-I771 HydrophobicContact CD1-CG2 4.49Å; F717-I771 HydrophobicContact CD2-CG2 4.3Å; F717-I771 HydrophobicContact CE1-CG1 4.39Å; F717-I771 HydrophobicContact CE2-CG1 4.08Å; F717-I771 HydrophobicContact CG-CG2 4.22Å; F717-I771 HydrophobicContact CZ-CG1 4.02Å; F717-T786 HydrophobicContact CD1-CG2 3.65Å; F717-T786 HydrophobicContact CE1-CG2 3.7Å; F717-L788 HydrophobicContact CE2-CB 4.27Å; F717-L788 HydrophobicContact CE2-CD1 4.37Å; F717-L788 HydrophobicContact CE2-CD2 4.15Å; F717-L788 HydrophobicContact CE2-CG 4.5Å; F717-L788 HydrophobicContact CZ-CB 3.74Å; F717-L788 HydrophobicContact CZ-CD1 4.01Å; F717-L788 HydrophobicContact CZ-CD2 4.39Å; F717-L788 HydrophobicContact CZ-CG 4.25Å |
| 718 | L | 94.7 | Very high | 91.6 | Very high | 75 Ų | 75 | 52.8 Ų | 52.8 | 39% | 0.393 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 138.9 | 177.8 | -177.5 | 154.8 | 0 | 0 | 0 | 109.2 | I702 I755 N757 | I702-L718 HydrophobicContact CB-CD2 4.24Å; I702-L718 HydrophobicContact CD1-CD2 4.05Å; I702-L718 HydrophobicContact CG2-CD2 3.7Å; L718-I755 HydrophobicContact CG-CG2 4.32Å; L718-N757 VanDerWaalsContact CB-OD1 3.3Å; L718-N757 WeakPolarHBondContact CB-OD1 3.35Å; L718-N757 VanDerWaalsContact CD1-OD1 3.27Å; L718-N757 WeakPolarHBondContact CD1-OD1 3.31Å; L718-N757 WeakPolarHBondContact CG-OD1 3.38Å |
| 719 | V | 95.3 | Very high | 91.5 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 153.9 | 166.5 | -65.7 | 0 | 0 | 0 | 0 | 111 | F700 I702 P704 I729 W731 I755 S756 A773 | F700-V719 HydrophobicContact CD1-CB 3.9Å; F700-V719 HydrophobicContact CD1-CG1 4.36Å; F700-V719 HydrophobicContact CD1-CG2 4.44Å; F700-V719 HydrophobicContact CE1-CB 3.75Å; F700-V719 HydrophobicContact CE1-CG1 4.21Å; F700-V719 HydrophobicContact CE1-CG2 3.83Å; I702-V719 WeakPolarHBondContact O-CA 3.47Å; P704-V719 HydrophobicContact CB-CG1 3.71Å; P704-V719 HydrophobicContact CG-CG1 3.82Å; V719-I729 HydrophobicContact CG2-CD1 4.2Å; V719-I729 HydrophobicContact CG2-CG2 3.96Å; V719-W731 HydrophobicContact CG1-CH2 3.85Å; V719-W731 HydrophobicContact CG1-CZ2 4.29Å; V719-W731 HydrophobicContact CG2-CH2 4.12Å; V719-W731 HydrophobicContact CG2-CZ2 3.69Å; V719-I755 CarbonylContact O-C 3.57Å; V719-I755 WeakPolarHBondContact O-CA 3.41Å; V719-S756 PolarHBondContact N-O 3.31Å; V719-S756 PolarHBondContact O-N 2.85Å; V719-A773 HydrophobicContact CB-CB 4.48Å; V719-A773 HydrophobicContact CG1-CB 3.83Å; V719-A773 HydrophobicContact CG2-CB 4.05Å |
| 720 | K | 94.4 | Very high | 91.5 | Very high | 80 Ų | 80 | 51.6 Ų | 51.6 | 35% | 0.348 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 128.4 | 167.5 | -178.5 | -175 | 178.1 | -129.2 | 0 | 108.7 | F700 D701 I702 G754 I755 | F700-K720 CarbonylContact C-O 3.6Å; F700-K720 VanDerWaalsContact CA-O 3.31Å; F700-K720 WeakPolarHBondContact CA-O 3.34Å; D701-K720 HydrophobicContact CB-CB 4.28Å; D701-K720 HydrophobicContact CB-CD 3.99Å; D701-K720 HydrophobicContact CB-CG 4.14Å; D701-K720 PolarHBondContact N-O 3.34Å; D701-K720 VanDerWaalsContact OD2-CE 3.24Å; D701-K720 WeakPolarHBondContact OD2-CE 3.38Å; D701-K720 IonicContact OD2-NZ 3.43Å; D701-K720 PolarHBondContact OD2-NZ 3.38Å; I702-K720 HydrophobicContact CB-CB 3.85Å; I702-K720 HydrophobicContact CD1-CB 3.87Å; I702-K720 HydrophobicContact CD1-CD 4.29Å; I702-K720 HydrophobicContact CG1-CB 3.83Å; I702-K720 PolarHBondContact N-O 3.15Å; I702-K720 PolarHBondContact O-N 3.45Å; I702-K720 VanDerWaalsContact O-N 3.14Å; K720-G754 CarbonylContact C-O 3.59Å; K720-G754 VanDerWaalsContact CA-O 3.32Å; K720-G754 WeakPolarHBondContact CA-O 3.34Å; K720-I755 HydrophobicContact CB-CG1 4.17Å; K720-I755 HydrophobicContact CD-CG1 4.37Å; K720-I755 HydrophobicContact CG-CG1 3.96Å |
| 721 | A | 92.3 | Very high | 91.6 | Very high | 4 Ų | 4 | 48.9 Ų | 48.9 | 3% | 0.033 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 121.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | S699 F700 P727 I729 G754 A775 | S699-A721 CarbonylContact O-C 3.49Å; S699-A721 WeakPolarHBondContact O-CA 3.28Å; F700-A721 HydrophobicContact CD1-CB 3.99Å; F700-A721 HydrophobicContact CE1-CB 3.97Å; A721-P727 HydrophobicContact CB-CG 3.92Å; A721-I729 HydrophobicContact CB-CD1 3.93Å; A721-I729 HydrophobicContact CB-CG1 4.22Å; A721-G754 PolarHBondContact N-O 2.74Å; A721-A775 HydrophobicContact CB-CB 3.62Å |
| 722 | G | 90.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 47.4 Ų | 47.4 | 21% | 0.206 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 173.3 | 162.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | P698 S699 | P698-G722 VanDerWaalsContact CA-O 3.25Å; P698-G722 WeakPolarHBondContact CA-O 3.36Å; S699-G722 PolarHBondContact N-O 2.82Å; S699-G722 PolarHBondContact O-N 2.96Å |
| 723 | G | 89 | Confident | 91.9 | Very high | 19 Ų | 19 | 47.3 Ų | 47.3 | 20% | 0.196 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 130.9 | 147.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | P725 K726 P727 | G723-P725 CarbonylContact O-C 3.47Å; G723-K726 WeakPolarHBondContact O-CA 3.4Å; G723-P727 VanDerWaalsContact O-CD 3.32Å; G723-P727 WeakPolarHBondContact O-CD 3.39Å |
| 724 | Y | 87 | Confident | 91.8 | Very high | 65 Ų | 65 | 50.2 Ų | 50.2 | 26% | 0.255 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 127.7 | -179 | -166.4 | -87.1 | 0 | 0 | 0 | 111.5 | E692 E693 P695 C696 N777 | E692-Y724 HydrophobicContact CB-CE1 4.23Å; E693-Y724 HydrophobicContact CB-CD1 4.4Å; E693-Y724 HydrophobicContact CB-CD2 3.68Å; E693-Y724 HydrophobicContact CB-CE2 4.17Å; E693-Y724 HydrophobicContact CB-CG 3.8Å; E693-Y724 HydrophobicContact CG-CD2 4.31Å; E693-Y724 WeakPolarHBondContact O-CD1 3.46Å; E693-Y724 WeakPolarHBondContact O-CE1 3.35Å; P695-Y724 CarbonylContact C-O 3.48Å; P695-Y724 WeakPolarHBondContact CA-O 3.45Å; C696-Y724 PolarHBondContact N-O 2.83Å; C696-Y724 PolarHBondContact O-N 2.84Å; C696-Y724 VanDerWaalsContact O-N 3.15Å; C696-Y724 VanDerWaalsContact O-O 3.05Å; C696-Y724 PolarHBondContact SG-N 3.48Å; Y724-N777 PolarHBondContact O-ND2 2.77Å |
| 725 | P | 88.2 | Confident | 91.6 | Very high | 54 Ų | 54 | 49.3 Ų | 49.3 | 35% | 0.351 | 26% | 0.257 | S | S | . | . | S | Bend | cis | -61.4 | 153.9 | -3.7 | -23.9 | 35.3 | 0 | 0 | 0 | 113.2 | G723 N777 | G723-P725 CarbonylContact O-C 3.47Å; P725-N777 WeakPolarHBondContact O-CB 3.26Å; P725-N777 PolarHBondContact O-ND2 3.45Å |
| 726 | K | 88.3 | Confident | 91.3 | Very high | 146 Ų | 146 | 56.6 Ų | 56.6 | 64% | 0.635 | 29% | 0.29 | S | S | * | . | P | Polyproline II helix | trans | -51.1 | 120.4 | -173.6 | -165.5 | 166.9 | -174.5 | 171.1 | 0 | 112.2 | G723 G753 | G723-K726 WeakPolarHBondContact O-CA 3.4Å; K726-G753 VanDerWaalsContact CE-C 3.43Å |
| 727 | P | 90.3 | Very high | 91.1 | Very high | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.019 | 29% | 0.289 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 151.9 | -169.1 | 29.9 | -36.9 | 0 | 0 | 0 | 113.7 | P698 A721 G723 A775 R776 N777 | P698-P727 HydrophobicContact CB-CB 3.9Å; P698-P727 HydrophobicContact CB-CG 4.13Å; A721-P727 HydrophobicContact CB-CG 3.92Å; G723-P727 VanDerWaalsContact O-CD 3.32Å; G723-P727 WeakPolarHBondContact O-CD 3.39Å; P727-A775 HydrophobicContact CB-CB 4.17Å; P727-A775 HydrophobicContact CG-CB 4.48Å; P727-R776 CarbonylContact C-O 3.59Å; P727-R776 VanDerWaalsContact CA-O 3.3Å; P727-R776 WeakPolarHBondContact CA-O 3.19Å; P727-N777 HydrophobicContact CB-CB 4.23Å |
| 728 | K | 90.4 | Very high | 90.7 | Very high | 144 Ų | 144 | 56 Ų | 56 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 129.8 | 170.3 | -64.3 | -177.9 | -179.3 | 177.4 | 0 | 109.3 | F730 A775 R776 | K728-F730 HydrophobicContact CB-CE2 3.79Å; K728-F730 HydrophobicContact CB-CZ 4.06Å; K728-A775 WeakPolarHBondContact O-CA 3.47Å; K728-R776 PolarHBondContact N-O 3.06Å; K728-R776 PolarHBondContact O-N 3.24Å |
| 729 | I | 92.5 | Very high | 89.7 | Confident | 9 Ų | 9 | 55.2 Ų | 55.2 | 5% | 0.046 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 130.1 | -177.5 | -57.2 | 174 | 0 | 0 | 0 | 109 | V719 A721 G754 V774 A775 | V719-I729 HydrophobicContact CG2-CD1 4.2Å; V719-I729 HydrophobicContact CG2-CG2 3.96Å; A721-I729 HydrophobicContact CB-CD1 3.93Å; A721-I729 HydrophobicContact CB-CG1 4.22Å; I729-G754 WeakPolarHBondContact CD1-O 3.28Å; I729-V774 CarbonylContact C-O 3.52Å; I729-V774 WeakPolarHBondContact CA-O 3.42Å; I729-A775 HydrophobicContact CG1-CB 4.35Å |
| 730 | F | 92.3 | Very high | 88.3 | Confident | 70 Ų | 70 | 59 Ų | 59 | 31% | 0.307 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 136.2 | 178.6 | -60.5 | -88 | 0 | 0 | 0 | 109.1 | K728 Y732 L737 A773 V774 R776 | K728-F730 HydrophobicContact CB-CE2 3.79Å; K728-F730 HydrophobicContact CB-CZ 4.06Å; F730-Y732 HydrophobicContact CB-CE2 3.97Å; F730-L737 HydrophobicContact CB-CD1 3.89Å; F730-L737 HydrophobicContact CD1-CD1 4.16Å; F730-L737 HydrophobicContact CG-CD1 4.47Å; F730-A773 CarbonylContact O-C 3.47Å; F730-A773 WeakPolarHBondContact O-CA 3.38Å; F730-V774 PolarHBondContact N-O 2.87Å; F730-V774 PolarHBondContact O-N 2.91Å; F730-R776 HydrophobicContact CE2-CB 4.29Å |
| 731 | W | 93.5 | Very high | 86.6 | Confident | 1 Ų | 1 | 59.9 Ų | 59.9 | 0% | 0.004 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 141.5 | 177 | -68 | 90.9 | 0 | 0 | 0 | 111 | P704 F717 V719 I738 I749 S756 L758 I771 K772 A773 | P704-W731 HydrophobicContact CB-CH2 4.37Å; P704-W731 HydrophobicContact CB-CZ3 4.41Å; F717-W731 HydrophobicContact CB-CH2 3.54Å; F717-W731 HydrophobicContact CB-CZ3 3.77Å; V719-W731 HydrophobicContact CG1-CH2 3.85Å; V719-W731 HydrophobicContact CG1-CZ2 4.29Å; V719-W731 HydrophobicContact CG2-CH2 4.12Å; V719-W731 HydrophobicContact CG2-CZ2 3.69Å; W731-I738 HydrophobicContact CB-CD1 3.82Å; W731-I738 HydrophobicContact CB-CG1 3.8Å; W731-I738 VanDerWaalsContact O-CG1 3.22Å; W731-I738 WeakPolarHBondContact O-CG1 3.42Å; W731-I738 PolarHBondContact O-N 3.28Å; W731-I749 HydrophobicContact CB-CD1 4.04Å; W731-I749 HydrophobicContact CG-CD1 4.22Å; W731-I749 HydrophobicContact CG-CG1 4.45Å; W731-S756 PolarHBondContact NE1-OG 3.29Å; W731-L758 HydrophobicContact CB-CD2 4.31Å; W731-L758 HydrophobicContact CD2-CB 3.7Å; W731-L758 HydrophobicContact CD2-CD2 3.99Å; W731-L758 HydrophobicContact CD2-CG 4.47Å; W731-L758 HydrophobicContact CE3-CB 3.96Å; W731-L758 HydrophobicContact CE3-CD2 3.72Å; W731-L758 HydrophobicContact CG-CB 4.19Å; W731-L758 HydrophobicContact CG-CD2 4.29Å; W731-L758 HydrophobicContact CH2-CB 4.1Å; W731-L758 HydrophobicContact CZ2-CB 3.85Å; W731-L758 HydrophobicContact CZ3-CB 4.16Å; W731-L758 HydrophobicContact CZ3-CD2 4.29Å; W731-I771 HydrophobicContact CE3-CG2 3.74Å; W731-I771 HydrophobicContact CZ3-CG2 3.68Å; W731-K772 CarbonylContact C-O 3.54Å; W731-K772 WeakPolarHBondContact CA-O 3.23Å; W731-A773 HydrophobicContact CD2-CB 4.28Å; W731-A773 HydrophobicContact CE3-CB 3.98Å; W731-A773 HydrophobicContact CH2-CB 4.3Å; W731-A773 HydrophobicContact CZ3-CB 3.98Å |
| 732 | Y | 93 | Very high | 84.6 | Confident | 38 Ų | 38 | 63.3 Ų | 63.3 | 15% | 0.149 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 140 | 176.1 | -59.7 | -109.3 | 0 | 0 | 0 | 109.5 | F730 G735 E736 L737 K772 V774 R776 | F730-Y732 HydrophobicContact CB-CE2 3.97Å; Y732-G735 WeakPolarHBondContact CD1-O 3.47Å; Y732-E736 CarbonylContact C-O 3.55Å; Y732-E736 WeakPolarHBondContact CA-O 3.32Å; Y732-L737 HydrophobicContact CD1-CB 3.87Å; Y732-L737 HydrophobicContact CD1-CD1 4.43Å; Y732-L737 HydrophobicContact CD2-CD1 4.4Å; Y732-L737 HydrophobicContact CE1-CB 3.7Å; Y732-L737 HydrophobicContact CE1-CD1 4.07Å; Y732-L737 HydrophobicContact CE1-CG 4.43Å; Y732-L737 HydrophobicContact CE2-CD1 4.01Å; Y732-K772 PolarHBondContact N-O 2.81Å; Y732-K772 PolarHBondContact O-N 2.81Å; Y732-V774 HydrophobicContact CD2-CG2 3.8Å; Y732-V774 HydrophobicContact CE2-CB 3.94Å; Y732-V774 HydrophobicContact CE2-CG2 3.53Å; Y732-R776 PolarHBondContact OH-NH1 3.35Å |
| 733 | I | 91.3 | Very high | 82.5 | Confident | 20 Ų | 20 | 65.7 Ų | 65.7 | 10% | 0.103 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.8 | 171.7 | -56.5 | 179 | 0 | 0 | 0 | 107.2 | G735 E736 I738 W747 F760 L769 H770 I771 | I733-G735 PolarHBondContact O-N 2.74Å; I733-E736 PolarHBondContact N-O 3.03Å; I733-E736 PolarHBondContact O-N 3.35Å; I733-I738 HydrophobicContact CB-CG2 4.45Å; I733-I738 HydrophobicContact CD1-CD1 4.09Å; I733-I738 HydrophobicContact CD1-CG2 3.81Å; I733-I738 HydrophobicContact CG1-CD1 4.22Å; I733-I738 HydrophobicContact CG1-CG2 3.96Å; I733-W747 HydrophobicContact CD1-CD2 4.45Å; I733-W747 HydrophobicContact CD1-CE3 4.43Å; I733-F760 HydrophobicContact CD1-CE1 3.76Å; I733-F760 HydrophobicContact CD1-CZ 3.55Å; I733-F760 HydrophobicContact CG1-CZ 4.39Å; I733-L769 HydrophobicContact CG2-CB 4.18Å; I733-L769 HydrophobicContact CG2-CD1 4.28Å; I733-H770 CarbonylContact C-O 3.54Å; I733-H770 WeakPolarHBondContact CA-O 3.48Å; I733-I771 HydrophobicContact CB-CD1 4.49Å; I733-I771 HydrophobicContact CG1-CD1 4Å; I733-I771 HydrophobicContact CG2-CD1 4.16Å |
| 734 | N | 90.3 | Very high | 80.8 | Confident | 95 Ų | 95 | 68.5 Ų | 68.5 | 51% | 0.508 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 23.7 | -176.8 | -68 | -12.8 | 0 | 0 | 0 | 114.8 | L769 H770 | N734-L769 WeakPolarHBondContact ND2-CD2 3.25Å; N734-L769 WeakPolarHBondContact OD1-CA 3.36Å; N734-H770 PolarHBondContact N-O 3.06Å; N734-H770 PolarHBondContact OD1-N 3.21Å |
| 735 | G | 87.6 | Confident | 79.6 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 62% | 0.619 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.4 | -9.8 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y732 I733 | Y732-G735 WeakPolarHBondContact CD1-O 3.47Å; I733-G735 PolarHBondContact O-N 2.74Å |
| 736 | E | 88.4 | Confident | 79.3 | Confident | 156 Ų | 156 | 68.4 Ų | 68.4 | 73% | 0.729 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 131.1 | 174.7 | -62 | -162.4 | 145.2 | 0 | 0 | 111.5 | Y732 I733 I738 | Y732-E736 CarbonylContact C-O 3.55Å; Y732-E736 WeakPolarHBondContact CA-O 3.32Å; I733-E736 PolarHBondContact N-O 3.03Å; I733-E736 PolarHBondContact O-N 3.35Å; E736-I738 PolarHBondContact O-N 3.08Å |
| 737 | L | 88.3 | Confident | 79.2 | Confident | 99 Ų | 99 | 65.5 Ų | 65.5 | 52% | 0.518 | 42% | 0.421 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 119.3 | 177.4 | 175.4 | 67.6 | 0 | 0 | 0 | 110.2 | F730 Y732 | F730-L737 HydrophobicContact CB-CD1 3.89Å; F730-L737 HydrophobicContact CD1-CD1 4.16Å; F730-L737 HydrophobicContact CG-CD1 4.47Å; Y732-L737 HydrophobicContact CD1-CB 3.87Å; Y732-L737 HydrophobicContact CD1-CD1 4.43Å; Y732-L737 HydrophobicContact CD2-CD1 4.4Å; Y732-L737 HydrophobicContact CE1-CB 3.7Å; Y732-L737 HydrophobicContact CE1-CD1 4.07Å; Y732-L737 HydrophobicContact CE1-CG 4.43Å; Y732-L737 HydrophobicContact CE2-CD1 4.01Å |
| 738 | I | 86.6 | Confident | 79 | Confident | 18 Ų | 18 | 71.8 Ų | 71.8 | 9% | 0.092 | 44% | 0.444 | C | S | . | . | P | Polyproline II helix | trans | -87.3 | 140.7 | 177.2 | 50.4 | 162 | 0 | 0 | 0 | 112.6 | W731 I733 E736 W747 I749 L758 | W731-I738 HydrophobicContact CB-CD1 3.82Å; W731-I738 HydrophobicContact CB-CG1 3.8Å; W731-I738 VanDerWaalsContact O-CG1 3.22Å; W731-I738 WeakPolarHBondContact O-CG1 3.42Å; W731-I738 PolarHBondContact O-N 3.28Å; I733-I738 HydrophobicContact CB-CG2 4.45Å; I733-I738 HydrophobicContact CD1-CD1 4.09Å; I733-I738 HydrophobicContact CD1-CG2 3.81Å; I733-I738 HydrophobicContact CG1-CD1 4.22Å; I733-I738 HydrophobicContact CG1-CG2 3.96Å; E736-I738 PolarHBondContact O-N 3.08Å; I738-W747 HydrophobicContact CB-CZ2 4.4Å; I738-W747 HydrophobicContact CD1-CG 4.47Å; I738-W747 HydrophobicContact CG2-CZ2 3.69Å; I738-I749 HydrophobicContact CD1-CD1 3.68Å; I738-I749 HydrophobicContact CD1-CG1 4.21Å; I738-I749 HydrophobicContact CG1-CD1 3.9Å; I738-L758 HydrophobicContact CD1-CD1 3.46Å; I738-L758 VanDerWaalsContact CD1-CD1 3.46Å; I738-L758 HydrophobicContact CD1-CD2 3.95Å; I738-L758 HydrophobicContact CD1-CG 4.35Å |
| 739 | A | 75.2 | Confident | 79 | Confident | 59 Ų | 59 | 66 Ų | 66 | 49% | 0.488 | 42% | 0.42 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 138.5 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | S741 | A739-S741 PolarHBondContact O-N 3.39Š|
| 740 | S | 66.1 | Low | 78.7 | Confident | 80 Ų | 80 | 70.1 Ų | 70.1 | 56% | 0.559 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -62.3 | -25.5 | -173.8 | -47.7 | 0 | 0 | 0 | 0 | 114.8 | I749 | S740-I749 PolarHBondContact O-N 3.37Š|
| 741 | S | 58.5 | Low | 78.3 | Confident | 98 Ų | 98 | 71.2 Ų | 71.2 | 69% | 0.685 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -155.6 | 154.8 | 178.7 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | A739 G743 | A739-S741 PolarHBondContact O-N 3.39Å; S741-G743 VanDerWaalsContact C-N 3.27Å; S741-G743 PolarHBondContact O-N 2.92Å |
| 742 | G | 50.4 | Low | 77.7 | Confident | 76 Ų | 76 | 77.4 Ų | 77.4 | 78% | 0.784 | 48% | 0.477 | S | S | * | . | trans | 73.5 | -12.5 | 159 | 0 | 0 | 0 | 0 | 0 | 118.8 | G744 | G742-G744 PolarHBondContact O-N 3.3Š| ||
| 743 | G | 45 | Very low | 77 | Confident | 69 Ų | 69 | 76.9 Ų | 76.9 | 71% | 0.711 | 48% | 0.483 | S | S | * | . | S | Bend | trans | -71.3 | 25.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.9 | S741 G745 | S741-G743 VanDerWaalsContact C-N 3.27Å; S741-G743 PolarHBondContact O-N 2.92Å; G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.5Å |
| 744 | G | 52.8 | Low | 76.6 | Confident | 79 Ų | 79 | 76.6 Ų | 76.6 | 81% | 0.814 | 49% | 0.486 | S | S | * | . | S | Bend | trans | 74.4 | -0.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | G742 | G742-G744 PolarHBondContact O-N 3.3Š|
| 745 | G | 62 | Low | 76.7 | Confident | 27 Ų | 27 | 75 Ų | 75 | 28% | 0.278 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -84.6 | 156.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | G743 W747 | G743-G745 VanDerWaalsContact C-N 3.26Å; G743-G745 PolarHBondContact O-N 3.5Å; G745-W747 PolarHBondContact O-N 3.35Å |
| 746 | N | 82 | Confident | 76.9 | Confident | 90 Ų | 90 | 72.2 Ų | 72.2 | 48% | 0.481 | 45% | 0.447 | S | S | . | . | S | Bend | trans | -70.7 | 23.3 | 176.7 | -82.2 | -1.6 | 0 | 0 | 0 | 114.3 | F760 H761 R762 | N746-F760 CarbonylContact O-C 3.53Å; N746-F760 WeakPolarHBondContact O-CA 3.41Å; N746-H761 PolarHBondContact O-N 3.02Å; N746-R762 VanDerWaalsContact CB-O 3.3Å; N746-R762 WeakPolarHBondContact CB-O 3.48Å; N746-R762 PolarHBondContact ND2-O 3.45Å |
| 747 | W | 87.2 | Confident | 77.1 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 32% | 0.322 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.5 | 156.8 | -173.4 | 59.9 | 79.7 | 0 | 0 | 0 | 113 | I733 I738 G745 L758 E759 F760 | I733-W747 HydrophobicContact CD1-CD2 4.45Å; I733-W747 HydrophobicContact CD1-CE3 4.43Å; I738-W747 HydrophobicContact CB-CZ2 4.4Å; I738-W747 HydrophobicContact CD1-CG 4.47Å; I738-W747 HydrophobicContact CG2-CZ2 3.69Å; G745-W747 PolarHBondContact O-N 3.35Å; W747-L758 HydrophobicContact CB-CD1 4.04Å; W747-L758 HydrophobicContact CG-CD1 4.38Å; W747-E759 CarbonylContact C-O 3.57Å; W747-E759 WeakPolarHBondContact CA-O 3.44Å; W747-F760 HydrophobicContact CB-CD1 4.19Å; W747-F760 HydrophobicContact CB-CG 4.48Å; W747-F760 HydrophobicContact CE3-CD1 4.48Å; W747-F760 HydrophobicContact CE3-CE1 4.28Å |
| 748 | R | 85.9 | Confident | 77.3 | Confident | 134 Ų | 134 | 62.8 Ų | 62.8 | 51% | 0.506 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 148.8 | 169.2 | -65.9 | -177 | -177.3 | 159.7 | -1.1 | 110.3 | F750 E759 H761 | R748-F750 HydrophobicContact CB-CE2 4.15Å; R748-F750 HydrophobicContact CB-CZ 4.32Å; R748-E759 PolarHBondContact N-O 2.96Å; R748-E759 PolarHBondContact O-N 2.95Å; R748-H761 WeakPolarHBondContact CB-CE1 3.4Å; R748-H761 WeakPolarHBondContact CD-CE1 3.43Å; R748-H761 WeakPolarHBondContact CG-CE1 3.44Å; R748-H761 PolarHBondContact NH1-NE2 2.84Å; R748-H761 VanDerWaalsContact NH1-NE2 3.15Å |
| 749 | I | 89.1 | Confident | 77.6 | Confident | 23 Ų | 23 | 63.6 Ų | 63.6 | 12% | 0.118 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 126.2 | 168.1 | -65.8 | 160.7 | 0 | 0 | 0 | 108.3 | W731 I738 S740 N757 L758 | W731-I749 HydrophobicContact CB-CD1 4.04Å; W731-I749 HydrophobicContact CG-CD1 4.22Å; W731-I749 HydrophobicContact CG-CG1 4.45Å; I738-I749 HydrophobicContact CD1-CD1 3.68Å; I738-I749 HydrophobicContact CD1-CG1 4.21Å; I738-I749 HydrophobicContact CG1-CD1 3.9Å; S740-I749 PolarHBondContact O-N 3.37Å; I749-N757 CarbonylContact C-O 3.45Å; I749-N757 VanDerWaalsContact CA-O 3.32Å; I749-N757 WeakPolarHBondContact CA-O 3.46Å; I749-L758 HydrophobicContact CG1-CD1 3.94Å |
| 750 | F | 86.8 | Confident | 78.3 | Confident | 96 Ų | 96 | 61.1 Ų | 61.1 | 42% | 0.421 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 140.3 | 164.2 | -53.6 | -86.9 | 0 | 0 | 0 | 108 | R748 S756 N757 E759 | R748-F750 HydrophobicContact CB-CE2 4.15Å; R748-F750 HydrophobicContact CB-CZ 4.32Å; F750-S756 CarbonylContact O-C 3.49Å; F750-S756 VanDerWaalsContact O-CA 3.28Å; F750-S756 WeakPolarHBondContact O-CA 3.18Å; F750-S756 PolarHBondContact O-OG 2.92Å; F750-N757 HydrophobicContact CB-CB 4.36Å; F750-N757 HydrophobicContact CD2-CB 4.48Å; F750-N757 PolarHBondContact N-O 2.84Å; F750-N757 PolarHBondContact O-N 3.4Å; F750-E759 HydrophobicContact CE2-CB 4.44Å |
| 751 | Q | 85.1 | Confident | 79.3 | Confident | 93 Ų | 93 | 61.3 Ų | 61.3 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 116.6 | 173.4 | -170.4 | -176.4 | -4 | 0 | 0 | 108.5 | I755 | Q751-I755 CarbonylContact C-O 3.52Å; Q751-I755 WeakPolarHBondContact CA-O 3.46Å |
| 752 | D | 80 | Confident | 80.8 | Confident | 130 Ų | 130 | 64.4 Ų | 64.4 | 70% | 0.695 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 104.4 | 174.9 | -178 | 11.1 | 0 | 0 | 0 | 108.7 | G754 I755 | D752-G754 PolarHBondContact O-N 2.91Å; D752-I755 PolarHBondContact N-O 3.12Å; D752-I755 PolarHBondContact O-N 3.44Å |
| 753 | G | 78.1 | Confident | 82.6 | Confident | 27 Ų | 27 | 61 Ų | 61 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | -111.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | K726 | K726-G753 VanDerWaalsContact CE-C 3.43Š|
| 754 | G | 83.1 | Confident | 84.5 | Confident | 15 Ų | 15 | 59.6 Ų | 59.6 | 16% | 0.155 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.1 | -4.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | K720 A721 I729 D752 | K720-G754 CarbonylContact C-O 3.59Å; K720-G754 VanDerWaalsContact CA-O 3.32Å; K720-G754 WeakPolarHBondContact CA-O 3.34Å; A721-G754 PolarHBondContact N-O 2.74Å; I729-G754 WeakPolarHBondContact CD1-O 3.28Å; D752-G754 PolarHBondContact O-N 2.91Å |
| 755 | I | 91.9 | Very high | 86.1 | Confident | 62 Ų | 62 | 61 Ų | 61 | 32% | 0.318 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 139.4 | 178.1 | -59.5 | 173.5 | 0 | 0 | 0 | 108.8 | L718 V719 K720 Q751 D752 | L718-I755 HydrophobicContact CG-CG2 4.32Å; V719-I755 CarbonylContact O-C 3.57Å; V719-I755 WeakPolarHBondContact O-CA 3.41Å; K720-I755 HydrophobicContact CB-CG1 4.17Å; K720-I755 HydrophobicContact CD-CG1 4.37Å; K720-I755 HydrophobicContact CG-CG1 3.96Å; Q751-I755 CarbonylContact C-O 3.52Å; Q751-I755 WeakPolarHBondContact CA-O 3.46Å; D752-I755 PolarHBondContact N-O 3.12Å; D752-I755 PolarHBondContact O-N 3.44Å |
| 756 | S | 92.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 140.5 | 168 | -171.8 | 0 | 0 | 0 | 0 | 111.5 | V719 W731 F750 | V719-S756 PolarHBondContact N-O 3.31Å; V719-S756 PolarHBondContact O-N 2.85Å; W731-S756 PolarHBondContact NE1-OG 3.29Å; F750-S756 CarbonylContact O-C 3.49Å; F750-S756 VanDerWaalsContact O-CA 3.28Å; F750-S756 WeakPolarHBondContact O-CA 3.18Å; F750-S756 PolarHBondContact O-OG 2.92Å |
| 757 | N | 92.4 | Very high | 87.7 | Confident | 57 Ų | 57 | 59.8 Ų | 59.8 | 31% | 0.305 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.6 | 177 | -63 | -57.3 | 0 | 0 | 0 | 109.6 | F717 L718 I749 F750 | F717-N757 CarbonylContact O-C 3.57Å; F717-N757 VanDerWaalsContact O-CA 3.28Å; F717-N757 WeakPolarHBondContact O-CA 3.14Å; L718-N757 VanDerWaalsContact CB-OD1 3.3Å; L718-N757 WeakPolarHBondContact CB-OD1 3.35Å; L718-N757 VanDerWaalsContact CD1-OD1 3.27Å; L718-N757 WeakPolarHBondContact CD1-OD1 3.31Å; L718-N757 WeakPolarHBondContact CG-OD1 3.38Å; I749-N757 CarbonylContact C-O 3.45Å; I749-N757 VanDerWaalsContact CA-O 3.32Å; I749-N757 WeakPolarHBondContact CA-O 3.46Å; F750-N757 HydrophobicContact CB-CB 4.36Å; F750-N757 HydrophobicContact CD2-CB 4.48Å; F750-N757 PolarHBondContact N-O 2.84Å; F750-N757 PolarHBondContact O-N 3.4Å |
| 758 | L | 92.5 | Very high | 87.9 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 120.3 | 166 | 169.4 | 59.6 | 0 | 0 | 0 | 108.5 | K716 F717 W731 I738 W747 I749 F760 I771 | K716-L758 CarbonylContact C-O 3.52Å; K716-L758 WeakPolarHBondContact CA-O 3.34Å; F717-L758 HydrophobicContact CB-CB 4.42Å; F717-L758 PolarHBondContact N-O 3.02Å; F717-L758 PolarHBondContact O-N 2.84Å; W731-L758 HydrophobicContact CB-CD2 4.31Å; W731-L758 HydrophobicContact CD2-CB 3.7Å; W731-L758 HydrophobicContact CD2-CD2 3.99Å; W731-L758 HydrophobicContact CD2-CG 4.47Å; W731-L758 HydrophobicContact CE3-CB 3.96Å; W731-L758 HydrophobicContact CE3-CD2 3.72Å; W731-L758 HydrophobicContact CG-CB 4.19Å; W731-L758 HydrophobicContact CG-CD2 4.29Å; W731-L758 HydrophobicContact CH2-CB 4.1Å; W731-L758 HydrophobicContact CZ2-CB 3.85Å; W731-L758 HydrophobicContact CZ3-CB 4.16Å; W731-L758 HydrophobicContact CZ3-CD2 4.29Å; I738-L758 HydrophobicContact CD1-CD1 3.46Å; I738-L758 VanDerWaalsContact CD1-CD1 3.46Å; I738-L758 HydrophobicContact CD1-CD2 3.95Å; I738-L758 HydrophobicContact CD1-CG 4.35Å; W747-L758 HydrophobicContact CB-CD1 4.04Å; W747-L758 HydrophobicContact CG-CD1 4.38Å; I749-L758 HydrophobicContact CG1-CD1 3.94Å; L758-F760 HydrophobicContact CD2-CE2 4.03Å; L758-F760 HydrophobicContact CD2-CZ 4.37Å; L758-F760 HydrophobicContact CG-CE2 4.07Å; L758-I771 HydrophobicContact CD2-CG2 3.88Å |
| 759 | E | 92 | Very high | 88.2 | Confident | 35 Ų | 35 | 57.1 Ų | 57.1 | 16% | 0.164 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 119.7 | -178.2 | 170.7 | 163.5 | -177.7 | 0 | 0 | 110.9 | K716 W747 R748 F750 | K716-E759 HydrophobicContact CD-CG 4.25Å; K716-E759 WeakPolarHBondContact CE-OE1 3.5Å; K716-E759 WeakPolarHBondContact CE-OE2 3.4Å; K716-E759 HydrophobicContact CG-CB 4.27Å; K716-E759 HydrophobicContact CG-CG 4.07Å; K716-E759 IonicContact NZ-OE1 3.43Å; K716-E759 PolarHBondContact NZ-OE1 2.93Å; K716-E759 IonicContact NZ-OE2 3.53Å; K716-E759 PolarHBondContact NZ-OE2 2.78Å; W747-E759 CarbonylContact C-O 3.57Å; W747-E759 WeakPolarHBondContact CA-O 3.44Å; R748-E759 PolarHBondContact N-O 2.96Å; R748-E759 PolarHBondContact O-N 2.95Å; F750-E759 HydrophobicContact CE2-CB 4.44Å |
| 760 | F | 91 | Very high | 88.4 | Confident | 7 Ų | 7 | 61.5 Ų | 61.5 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 122.8 | 166.2 | -62 | -99.5 | 0 | 0 | 0 | 109.1 | P714 A715 F717 I733 N746 W747 L758 V763 I771 L788 | P714-F760 WeakPolarHBondContact CA-O 3.47Å; P714-F760 WeakPolarHBondContact CB-O 3.35Å; A715-F760 HydrophobicContact CB-CB 4.29Å; A715-F760 HydrophobicContact CB-CD2 4.16Å; A715-F760 PolarHBondContact N-O 2.72Å; A715-F760 VanDerWaalsContact N-O 3.07Å; A715-F760 PolarHBondContact O-N 2.86Å; F717-F760 HydrophobicContact CD2-CD2 4.44Å; F717-F760 HydrophobicContact CD2-CE2 4.07Å; F717-F760 HydrophobicContact CE2-CD2 4.17Å; F717-F760 AromaticContact CE2-CE2 3.8Å; F717-F760 HydrophobicContact CE2-CE2 3.8Å; I733-F760 HydrophobicContact CD1-CE1 3.76Å; I733-F760 HydrophobicContact CD1-CZ 3.55Å; I733-F760 HydrophobicContact CG1-CZ 4.39Å; N746-F760 CarbonylContact O-C 3.53Å; N746-F760 WeakPolarHBondContact O-CA 3.41Å; W747-F760 HydrophobicContact CB-CD1 4.19Å; W747-F760 HydrophobicContact CB-CG 4.48Å; W747-F760 HydrophobicContact CE3-CD1 4.48Å; W747-F760 HydrophobicContact CE3-CE1 4.28Å; L758-F760 HydrophobicContact CD2-CE2 4.03Å; L758-F760 HydrophobicContact CD2-CZ 4.37Å; L758-F760 HydrophobicContact CG-CE2 4.07Å; F760-V763 HydrophobicContact CB-CG1 4.02Å; F760-V763 HydrophobicContact CG-CG1 4.3Å; F760-I771 HydrophobicContact CE2-CD1 4.22Å; F760-I771 HydrophobicContact CZ-CD1 3.92Å; F760-L788 HydrophobicContact CD2-CD2 4.06Å; F760-L788 HydrophobicContact CE1-CD2 4.36Å; F760-L788 HydrophobicContact CE2-CD2 3.76Å; F760-L788 HydrophobicContact CZ-CD2 3.9Å |
| 761 | H | 86.7 | Confident | 88.8 | Confident | 84 Ų | 84 | 57 Ų | 57 | 39% | 0.389 | 31% | 0.311 | S | S | . | . | S | Bend | trans | -74.4 | -36.7 | 177.2 | -68.1 | 59.2 | 0 | 0 | 0 | 111.7 | N746 R748 | N746-H761 PolarHBondContact O-N 3.02Å; R748-H761 WeakPolarHBondContact CB-CE1 3.4Å; R748-H761 WeakPolarHBondContact CD-CE1 3.43Å; R748-H761 WeakPolarHBondContact CG-CE1 3.44Å; R748-H761 PolarHBondContact NH1-NE2 2.84Å; R748-H761 VanDerWaalsContact NH1-NE2 3.15Å |
| 762 | R | 89.1 | Confident | 89.3 | Confident | 162 Ų | 162 | 55.9 Ų | 55.9 | 61% | 0.611 | 31% | 0.305 | S | S | * | . | S | Bend | trans | -148.2 | 118.1 | 168.7 | -65.7 | -168.8 | 175.8 | -80.4 | 5.7 | 108.9 | G712 S713 N746 | G712-R762 WeakPolarHBondContact O-CG 3.32Å; G712-R762 PolarHBondContact O-NH1 3.12Å; S713-R762 CarbonylContact O-C 3.57Å; S713-R762 WeakPolarHBondContact O-CA 3.42Å; N746-R762 VanDerWaalsContact CB-O 3.3Å; N746-R762 WeakPolarHBondContact CB-O 3.48Å; N746-R762 PolarHBondContact ND2-O 3.45Å |
| 763 | V | 88.3 | Confident | 90 | Very high | 4 Ų | 4 | 49.7 Ų | 49.7 | 2% | 0.024 | 27% | 0.272 | C | S | . | . | trans | -64.6 | 143.7 | 170.4 | -58.7 | 0 | 0 | 0 | 0 | 110.1 | V709 T710 G712 S713 A715 F760 L788 I790 | V709-V763 HydrophobicContact CG2-CG1 3.98Å; V709-V763 HydrophobicContact CG2-CG2 3.96Å; T710-V763 WeakPolarHBondContact O-CG2 3.37Å; G712-V763 WeakPolarHBondContact CA-O 3.28Å; G712-V763 PolarHBondContact N-O 3.16Å; S713-V763 WeakPolarHBondContact O-CG2 3.44Å; S713-V763 PolarHBondContact O-N 2.76Å; A715-V763 HydrophobicContact CB-CG1 3.8Å; F760-V763 HydrophobicContact CB-CG1 4.02Å; F760-V763 HydrophobicContact CG-CG1 4.3Å; V763-L788 HydrophobicContact CG1-CD2 4.03Å; V763-I790 HydrophobicContact CB-CD1 3.88Å; V763-I790 HydrophobicContact CB-CG1 4.08Å; V763-I790 HydrophobicContact CB-CG2 4.4Å; V763-I790 HydrophobicContact CG2-CD1 4.38Å; V763-I790 HydrophobicContact CG2-CG1 4.17Å; V763-I790 HydrophobicContact CG2-CG2 3.74Å | ||
| 764 | G | 86.3 | Confident | 90.8 | Very high | 40 Ų | 40 | 48.5 Ų | 48.5 | 41% | 0.412 | 26% | 0.259 | S | S | . | . | trans | -88.5 | -136.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 765 | T | 86 | Confident | 91.4 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 68% | 0.675 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -52.4 | 140.7 | -176.2 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | I790 | T765-I790 WeakPolarHBondContact O-CD1 3.48Š|
| 766 | P | 87.9 | Confident | 91.4 | Very high | 56 Ų | 56 | 48.8 Ų | 48.8 | 36% | 0.364 | 25% | 0.252 | S | S | . | . | S | Bend | trans | -58.6 | 147.7 | 175.4 | -26 | 37.1 | 0 | 0 | 0 | 113.7 | E711 I790 P792 | E711-P766 HydrophobicContact CB-CG 4.32Å; E711-P766 VanDerWaalsContact OE2-CG 3.3Å; E711-P766 WeakPolarHBondContact OE2-CG 3.37Å; P766-I790 VanDerWaalsContact CA-O 3.32Å; P766-I790 WeakPolarHBondContact CA-O 3.34Å; P766-I790 WeakPolarHBondContact CB-O 3.3Å; P766-P792 HydrophobicContact CB-CB 4.06Å; P766-P792 HydrophobicContact CG-CB 3.78Å |
| 767 | G | 89.1 | Confident | 91.4 | Very high | 35 Ų | 35 | 50 Ų | 50 | 36% | 0.361 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 140.7 | -175.3 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | I790 | G767-I790 PolarHBondContact N-O 2.79Å; G767-I790 PolarHBondContact O-N 3.23Å |
| 768 | E | 92.6 | Very high | 91.4 | Very high | 126 Ų | 126 | 54.6 Ų | 54.6 | 59% | 0.589 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102 | 128.4 | 178.1 | -60.3 | -179.8 | 170.9 | 0 | 0 | 109.9 | L788 I789 | E768-L788 WeakPolarHBondContact CA-O 3.32Å; E768-I789 HydrophobicContact CG-CG1 4.38Å |
| 769 | L | 91.1 | Very high | 91.3 | Very high | 37 Ų | 37 | 59.2 Ų | 59.2 | 19% | 0.194 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 123.3 | 171.8 | -51.9 | -179.5 | 0 | 0 | 0 | 109.6 | I733 N734 I771 L788 I790 | I733-L769 HydrophobicContact CG2-CB 4.18Å; I733-L769 HydrophobicContact CG2-CD1 4.28Å; N734-L769 WeakPolarHBondContact ND2-CD2 3.25Å; N734-L769 WeakPolarHBondContact OD1-CA 3.36Å; L769-I771 HydrophobicContact CB-CD1 4.2Å; L769-I771 PolarHBondContact O-N 2.91Å; L769-L788 HydrophobicContact CB-CB 4.24Å; L769-L788 HydrophobicContact CD1-CD2 4.21Å; L769-L788 PolarHBondContact N-O 2.97Å; L769-L788 PolarHBondContact O-N 2.73Å; L769-I790 HydrophobicContact CD1-CD1 3.79Å; L769-I790 HydrophobicContact CG-CD1 4.11Å |
| 770 | H | 94.2 | Very high | 91.3 | Very high | 115 Ų | 115 | 58.9 Ų | 58.9 | 53% | 0.532 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 116.9 | 172.1 | -67 | 161.7 | 0 | 0 | 0 | 109.6 | I733 N734 | I733-H770 CarbonylContact C-O 3.54Å; I733-H770 WeakPolarHBondContact CA-O 3.48Å; N734-H770 PolarHBondContact N-O 3.06Å; N734-H770 PolarHBondContact OD1-N 3.21Å |
| 771 | I | 94.5 | Very high | 91.4 | Very high | 1 Ų | 1 | 63.9 Ų | 63.9 | 1% | 0.005 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 122.1 | -179 | -52.1 | -58.3 | 0 | 0 | 0 | 108.6 | F717 W731 I733 L758 F760 L769 E785 T786 L788 | F717-I771 HydrophobicContact CD1-CG2 4.49Å; F717-I771 HydrophobicContact CD2-CG2 4.3Å; F717-I771 HydrophobicContact CE1-CG1 4.39Å; F717-I771 HydrophobicContact CE2-CG1 4.08Å; F717-I771 HydrophobicContact CG-CG2 4.22Å; F717-I771 HydrophobicContact CZ-CG1 4.02Å; W731-I771 HydrophobicContact CE3-CG2 3.74Å; W731-I771 HydrophobicContact CZ3-CG2 3.68Å; I733-I771 HydrophobicContact CB-CD1 4.49Å; I733-I771 HydrophobicContact CG1-CD1 4Å; I733-I771 HydrophobicContact CG2-CD1 4.16Å; L758-I771 HydrophobicContact CD2-CG2 3.88Å; F760-I771 HydrophobicContact CE2-CD1 4.22Å; F760-I771 HydrophobicContact CZ-CD1 3.92Å; L769-I771 HydrophobicContact CB-CD1 4.2Å; L769-I771 PolarHBondContact O-N 2.91Å; I771-E785 WeakPolarHBondContact O-CA 3.49Å; I771-T786 HydrophobicContact CB-CG2 3.93Å; I771-T786 HydrophobicContact CG2-CG2 4.4Å; I771-T786 PolarHBondContact N-O 2.91Å; I771-T786 PolarHBondContact O-N 2.86Å; I771-L788 HydrophobicContact CD1-CB 4.35Å; I771-L788 HydrophobicContact CG1-CB 3.99Å |
| 772 | K | 95.1 | Very high | 91.9 | Very high | 70 Ų | 70 | 60.8 Ų | 60.8 | 30% | 0.304 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.5 | -176.1 | 171.7 | 171.7 | -172.5 | 151.5 | 0 | 111.4 | W731 Y732 V774 A784 E785 | W731-K772 CarbonylContact C-O 3.54Å; W731-K772 WeakPolarHBondContact CA-O 3.23Å; Y732-K772 PolarHBondContact N-O 2.81Å; Y732-K772 PolarHBondContact O-N 2.81Å; K772-V774 HydrophobicContact CD-CG2 4.28Å; K772-V774 HydrophobicContact CG-CG2 3.89Å; K772-A784 CarbonylContact C-O 3.54Å; K772-A784 WeakPolarHBondContact CA-O 3.29Å; K772-E785 HydrophobicContact CB-CG 4.01Å; K772-E785 HydrophobicContact CD-CG 3.92Å; K772-E785 VanDerWaalsContact CD-OE1 3.32Å; K772-E785 WeakPolarHBondContact CD-OE1 3.36Å; K772-E785 WeakPolarHBondContact CE-OE1 3.38Å; K772-E785 HydrophobicContact CG-CG 3.8Å; K772-E785 IonicContact NZ-OE1 2.73Å; K772-E785 PolarHBondContact NZ-OE1 3.09Å |
| 773 | A | 95.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 139.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 110 | F700 V719 F730 W731 A783 A784 | F700-A773 HydrophobicContact CE1-CB 4.15Å; F700-A773 HydrophobicContact CZ-CB 3.84Å; V719-A773 HydrophobicContact CB-CB 4.48Å; V719-A773 HydrophobicContact CG1-CB 3.83Å; V719-A773 HydrophobicContact CG2-CB 4.05Å; F730-A773 CarbonylContact O-C 3.47Å; F730-A773 WeakPolarHBondContact O-CA 3.38Å; W731-A773 HydrophobicContact CD2-CB 4.28Å; W731-A773 HydrophobicContact CE3-CB 3.98Å; W731-A773 HydrophobicContact CH2-CB 4.3Å; W731-A773 HydrophobicContact CZ3-CB 3.98Å; A773-A783 CarbonylContact O-C 3.58Å; A773-A783 WeakPolarHBondContact O-CA 3.47Å; A773-A784 PolarHBondContact N-O 2.87Å; A773-A784 PolarHBondContact O-N 2.93Å |
| 774 | V | 94.8 | Very high | 92.5 | Very high | 1 Ų | 1 | 55.8 Ų | 55.8 | 1% | 0.006 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 116.4 | 179.5 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | I729 F730 Y732 K772 R776 E781 A782 A783 | I729-V774 CarbonylContact C-O 3.52Å; I729-V774 WeakPolarHBondContact CA-O 3.42Å; F730-V774 PolarHBondContact N-O 2.87Å; F730-V774 PolarHBondContact O-N 2.91Å; Y732-V774 HydrophobicContact CD2-CG2 3.8Å; Y732-V774 HydrophobicContact CE2-CB 3.94Å; Y732-V774 HydrophobicContact CE2-CG2 3.53Å; K772-V774 HydrophobicContact CD-CG2 4.28Å; K772-V774 HydrophobicContact CG-CG2 3.89Å; V774-R776 HydrophobicContact CG1-CG 4.16Å; V774-E781 HydrophobicContact CG1-CG 3.62Å; V774-E781 WeakPolarHBondContact CG1-OE1 3.46Å; V774-A782 CarbonylContact C-O 3.46Å; V774-A782 WeakPolarHBondContact CA-O 3.43Å; V774-A783 HydrophobicContact CG2-CB 4.34Å |
| 775 | A | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 129 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | P698 F700 A721 P727 K728 I729 E781 A782 | P698-A775 HydrophobicContact CB-CB 3.86Å; P698-A775 HydrophobicContact CG-CB 4.41Å; P698-A775 VanDerWaalsContact CG-O 3.29Å; P698-A775 WeakPolarHBondContact CG-O 3.32Å; F700-A775 HydrophobicContact CE1-CB 4.21Å; F700-A775 HydrophobicContact CE2-CB 4.01Å; F700-A775 HydrophobicContact CZ-CB 3.69Å; A721-A775 HydrophobicContact CB-CB 3.62Å; P727-A775 HydrophobicContact CB-CB 4.17Å; P727-A775 HydrophobicContact CG-CB 4.48Å; K728-A775 WeakPolarHBondContact O-CA 3.47Å; I729-A775 HydrophobicContact CG1-CB 4.35Å; A775-E781 WeakPolarHBondContact O-CA 3.46Å; A775-A782 PolarHBondContact N-O 2.93Å; A775-A782 PolarHBondContact O-N 2.89Å |
| 776 | R | 92.9 | Very high | 93.4 | Very high | 84 Ų | 84 | 55.8 Ų | 55.8 | 32% | 0.317 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 133.9 | -179.5 | -70.7 | 176 | 170.2 | 127.5 | 11.9 | 111.8 | P727 K728 F730 Y732 V774 E781 | P727-R776 CarbonylContact C-O 3.59Å; P727-R776 VanDerWaalsContact CA-O 3.3Å; P727-R776 WeakPolarHBondContact CA-O 3.19Å; K728-R776 PolarHBondContact N-O 3.06Å; K728-R776 PolarHBondContact O-N 3.24Å; F730-R776 HydrophobicContact CE2-CB 4.29Å; Y732-R776 PolarHBondContact OH-NH1 3.35Å; V774-R776 HydrophobicContact CG1-CG 4.16Å; R776-E781 HydrophobicContact CG-CB 4.16Å; R776-E781 HydrophobicContact CG-CG 3.86Å; R776-E781 IonicContact CZ-OE1 3.53Å; R776-E781 IonicContact CZ-OE2 3.31Å; R776-E781 VanDerWaalsContact CZ-OE2 3.31Å; R776-E781 IonicContact NE-OE1 3.56Å; R776-E781 IonicContact NE-OE2 2.7Å; R776-E781 PolarHBondContact NE-OE2 2.86Å; R776-E781 IonicContact NH2-OE1 2.76Å; R776-E781 PolarHBondContact NH2-OE1 3.16Å; R776-E781 IonicContact NH2-OE2 3.07Å; R776-E781 PolarHBondContact NH2-OE2 3.33Å; R776-E781 VanDerWaalsContact NH2-OE2 3.07Å |
| 777 | N | 92.1 | Very high | 93.8 | Very high | 24 Ų | 24 | 56 Ų | 56 | 13% | 0.128 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | -172.4 | 162.9 | 74.2 | 9.2 | 0 | 0 | 0 | 110.4 | C696 P698 Y724 P725 P727 M779 G780 | C696-N777 PolarHBondContact O-ND2 2.68Å; P698-N777 WeakPolarHBondContact CD-OD1 3.32Å; Y724-N777 PolarHBondContact O-ND2 2.77Å; P725-N777 WeakPolarHBondContact O-CB 3.26Å; P725-N777 PolarHBondContact O-ND2 3.45Å; P727-N777 HydrophobicContact CB-CB 4.23Å; N777-M779 PolarHBondContact O-N 3.32Å; N777-M779 WeakPolarHBondContact OD1-CA 3.25Å; N777-M779 WeakPolarHBondContact OD1-CB 3.29Å; N777-M779 PolarHBondContact OD1-N 3.49Å; N777-G780 PolarHBondContact N-O 3.47Å; N777-G780 PolarHBondContact O-N 3.16Å; N777-G780 PolarHBondContact OD1-N 2.97Å |
| 778 | N | 92.1 | Very high | 94 | Very high | 154 Ų | 154 | 54.3 Ų | 54.3 | 82% | 0.824 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.2 | -12.6 | -178.4 | -63 | 4.3 | 0 | 0 | 0 | 113.7 | ||
| 779 | M | 90.5 | Very high | 94.1 | Very high | 99 Ų | 99 | 50.5 Ų | 50.5 | 49% | 0.488 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -14.9 | -178.1 | -59.9 | -56.5 | -68.5 | 0 | 0 | 113.2 | P695 A697 N777 | P695-M779 HydrophobicContact CB-CE 4.1Å; P695-M779 HydrophobicContact CB-CG 3.91Å; P695-M779 HydrophobicContact CB-SD 3.92Å; P695-M779 HydrophobicContact CG-CE 4.45Å; A697-M779 HydrophobicContact CB-CB 4.46Å; N777-M779 PolarHBondContact O-N 3.32Å; N777-M779 WeakPolarHBondContact OD1-CA 3.25Å; N777-M779 WeakPolarHBondContact OD1-CB 3.29Å; N777-M779 PolarHBondContact OD1-N 3.49Å |
| 780 | G | 92.3 | Very high | 94.3 | Very high | 28 Ų | 28 | 49 Ų | 49 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.8 | -170.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | P698 N777 | P698-G780 VanDerWaalsContact CD-C 3.42Å; P698-G780 WeakPolarHBondContact CD-O 3.32Å; P698-G780 WeakPolarHBondContact CG-O 3.13Å; N777-G780 PolarHBondContact N-O 3.47Å; N777-G780 PolarHBondContact O-N 3.16Å; N777-G780 PolarHBondContact OD1-N 2.97Å |
| 781 | E | 94.6 | Very high | 94.2 | Very high | 111 Ų | 111 | 48.4 Ų | 48.4 | 52% | 0.519 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 136.5 | 177.5 | 177.6 | 169.9 | 158.9 | 0 | 0 | 109.6 | V774 A775 R776 | V774-E781 HydrophobicContact CG1-CG 3.62Å; V774-E781 WeakPolarHBondContact CG1-OE1 3.46Å; A775-E781 WeakPolarHBondContact O-CA 3.46Å; R776-E781 HydrophobicContact CG-CB 4.16Å; R776-E781 HydrophobicContact CG-CG 3.86Å; R776-E781 IonicContact CZ-OE1 3.53Å; R776-E781 IonicContact CZ-OE2 3.31Å; R776-E781 VanDerWaalsContact CZ-OE2 3.31Å; R776-E781 IonicContact NE-OE1 3.56Å; R776-E781 IonicContact NE-OE2 2.7Å; R776-E781 PolarHBondContact NE-OE2 2.86Å; R776-E781 IonicContact NH2-OE1 2.76Å; R776-E781 PolarHBondContact NH2-OE1 3.16Å; R776-E781 IonicContact NH2-OE2 3.07Å; R776-E781 PolarHBondContact NH2-OE2 3.33Å; R776-E781 VanDerWaalsContact NH2-OE2 3.07Å |
| 782 | A | 95.3 | Very high | 93.9 | Very high | 20 Ų | 20 | 52.1 Ų | 52.1 | 17% | 0.165 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 148.6 | 171 | 0 | 0 | 0 | 0 | 0 | 109.6 | P698 F700 V774 A775 | P698-A782 HydrophobicContact CB-CB 4.36Å; P698-A782 HydrophobicContact CG-CB 4.11Å; P698-A782 VanDerWaalsContact O-CB 3.28Å; P698-A782 WeakPolarHBondContact O-CB 3.24Å; F700-A782 HydrophobicContact CD2-CB 4.21Å; F700-A782 HydrophobicContact CE2-CB 4.3Å; F700-A782 WeakPolarHBondContact CE2-O 3.48Å; V774-A782 CarbonylContact C-O 3.46Å; V774-A782 WeakPolarHBondContact CA-O 3.43Å; A775-A782 PolarHBondContact N-O 2.93Å; A775-A782 PolarHBondContact O-N 2.89Å |
| 783 | A | 95.5 | Very high | 93.3 | Very high | 54 Ų | 54 | 55.5 Ų | 55.5 | 45% | 0.446 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 144.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | A773 V774 | A773-A783 CarbonylContact O-C 3.58Å; A773-A783 WeakPolarHBondContact O-CA 3.47Å; V774-A783 HydrophobicContact CG2-CB 4.34Å |
| 784 | A | 95.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 61.4 Ų | 61.4 | 5% | 0.05 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 135 | 170.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | F700 L703 P704 K772 A773 | F700-A784 HydrophobicContact CD2-CB 3.65Å; F700-A784 HydrophobicContact CE2-CB 3.89Å; F700-A784 HydrophobicContact CG-CB 4.01Å; F700-A784 HydrophobicContact CZ-CB 4.44Å; L703-A784 HydrophobicContact CD2-CB 3.62Å; P704-A784 HydrophobicContact CG-CB 4.17Å; K772-A784 CarbonylContact C-O 3.54Å; K772-A784 WeakPolarHBondContact CA-O 3.29Å; A773-A784 PolarHBondContact N-O 2.87Å; A773-A784 PolarHBondContact O-N 2.93Å |
| 785 | E | 95.2 | Very high | 91.5 | Very high | 130 Ų | 130 | 65 Ų | 65 | 61% | 0.607 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 143.9 | -170.2 | -64.6 | -178.2 | -172 | 0 | 0 | 110.5 | I771 K772 | I771-E785 WeakPolarHBondContact O-CA 3.49Å; K772-E785 HydrophobicContact CB-CG 4.01Å; K772-E785 HydrophobicContact CD-CG 3.92Å; K772-E785 VanDerWaalsContact CD-OE1 3.32Å; K772-E785 WeakPolarHBondContact CD-OE1 3.36Å; K772-E785 WeakPolarHBondContact CE-OE1 3.38Å; K772-E785 HydrophobicContact CG-CG 3.8Å; K772-E785 IonicContact NZ-OE1 2.73Å; K772-E785 PolarHBondContact NZ-OE1 3.09Å |
| 786 | T | 95.9 | Very high | 90.4 | Very high | 20 Ų | 20 | 71.9 Ų | 71.9 | 12% | 0.123 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 178.8 | 178.7 | -159 | 0 | 0 | 0 | 0 | 111.1 | P704 V705 A706 F717 I771 | P704-T786 HydrophobicContact CB-CG2 3.75Å; P704-T786 HydrophobicContact CG-CG2 3.9Å; P704-T786 WeakPolarHBondContact O-CB 3.36Å; P704-T786 PolarHBondContact O-OG1 2.79Å; P704-T786 VanDerWaalsContact O-OG1 3.08Å; V705-T786 VanDerWaalsContact C-OG1 3.31Å; V705-T786 PolarHBondContact O-OG1 2.94Å; A706-T786 VanDerWaalsContact CA-OG1 3.23Å; A706-T786 WeakPolarHBondContact CA-OG1 3.43Å; A706-T786 PolarHBondContact N-OG1 2.94Å; A706-T786 VanDerWaalsContact N-OG1 3.11Å; F717-T786 HydrophobicContact CD1-CG2 3.65Å; F717-T786 HydrophobicContact CE1-CG2 3.7Å; I771-T786 HydrophobicContact CB-CG2 3.93Å; I771-T786 HydrophobicContact CG2-CG2 4.4Å; I771-T786 PolarHBondContact N-O 2.91Å; I771-T786 PolarHBondContact O-N 2.86Å |
| 787 | I | 95.4 | Very high | 89.4 | Confident | 60 Ų | 60 | 76.8 Ų | 76.8 | 31% | 0.308 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.7 | -177.1 | 68.2 | 179.3 | 0 | 0 | 0 | 112.2 | A706 V707 I789 | A706-I787 WeakPolarHBondContact CA-O 3.4Å; A706-I787 HydrophobicContact CB-CG1 3.89Å; V707-I787 PolarHBondContact N-O 3.17Å; I787-I789 HydrophobicContact CD1-CD1 3.95Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CG1 4.32Å |
| 788 | L | 94.6 | Very high | 88.1 | Confident | 0 Ų | 0 | 80.5 Ų | 80.5 | 0% | 0 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 111.8 | 166.9 | 176 | 55.1 | 0 | 0 | 0 | 108 | V707 V709 A715 F717 F760 V763 E768 L769 I771 I790 | V707-L788 HydrophobicContact CB-CD1 4.13Å; V707-L788 HydrophobicContact CG1-CD1 3.99Å; V707-L788 CarbonylContact O-C 3.51Å; V707-L788 WeakPolarHBondContact O-CA 3.33Å; V709-L788 HydrophobicContact CG2-CD1 3.68Å; A715-L788 HydrophobicContact CB-CD1 3.78Å; A715-L788 HydrophobicContact CB-CD2 4.29Å; F717-L788 HydrophobicContact CE2-CB 4.27Å; F717-L788 HydrophobicContact CE2-CD1 4.37Å; F717-L788 HydrophobicContact CE2-CD2 4.15Å; F717-L788 HydrophobicContact CE2-CG 4.5Å; F717-L788 HydrophobicContact CZ-CB 3.74Å; F717-L788 HydrophobicContact CZ-CD1 4.01Å; F717-L788 HydrophobicContact CZ-CD2 4.39Å; F717-L788 HydrophobicContact CZ-CG 4.25Å; F760-L788 HydrophobicContact CD2-CD2 4.06Å; F760-L788 HydrophobicContact CE1-CD2 4.36Å; F760-L788 HydrophobicContact CE2-CD2 3.76Å; F760-L788 HydrophobicContact CZ-CD2 3.9Å; V763-L788 HydrophobicContact CG1-CD2 4.03Å; E768-L788 WeakPolarHBondContact CA-O 3.32Å; L769-L788 HydrophobicContact CB-CB 4.24Å; L769-L788 HydrophobicContact CD1-CD2 4.21Å; L769-L788 PolarHBondContact N-O 2.97Å; L769-L788 PolarHBondContact O-N 2.73Å; I771-L788 HydrophobicContact CD1-CB 4.35Å; I771-L788 HydrophobicContact CG1-CB 3.99Å; L788-I790 HydrophobicContact CD2-CG1 4.47Å; L788-I790 HydrophobicContact CG-CG1 4.08Å |
| 789 | I | 95 | Very high | 86.8 | Confident | 46 Ų | 46 | 79.6 Ų | 79.6 | 24% | 0.236 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 117.5 | 175.5 | -54.6 | -179.9 | 0 | 0 | 0 | 107.9 | V707 T708 V709 E768 I787 | V707-I789 PolarHBondContact O-N 3.42Å; T708-I789 WeakPolarHBondContact CA-O 3.29Å; T708-I789 HydrophobicContact CG2-CB 4.07Å; T708-I789 HydrophobicContact CG2-CG2 4.13Å; V709-I789 PolarHBondContact N-O 3.46Å; E768-I789 HydrophobicContact CG-CG1 4.38Å; I787-I789 HydrophobicContact CD1-CD1 3.95Å; I787-I789 HydrophobicContact CD1-CG1 4.09Å; I787-I789 HydrophobicContact CG1-CG1 4.32Å |
| 790 | I | 94 | Very high | 85.3 | Confident | 5 Ų | 5 | 81.1 Ų | 81.1 | 3% | 0.026 | 42% | 0.424 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 105.1 | 177 | -52.8 | 168.2 | 0 | 0 | 0 | 108.2 | V709 E711 V763 T765 P766 G767 L769 L788 | V709-I790 CarbonylContact O-C 3.43Å; V709-I790 WeakPolarHBondContact O-CA 3.32Å; E711-I790 HydrophobicContact CB-CG2 4.31Å; V763-I790 HydrophobicContact CB-CD1 3.88Å; V763-I790 HydrophobicContact CB-CG1 4.08Å; V763-I790 HydrophobicContact CB-CG2 4.4Å; V763-I790 HydrophobicContact CG2-CD1 4.38Å; V763-I790 HydrophobicContact CG2-CG1 4.17Å; V763-I790 HydrophobicContact CG2-CG2 3.74Å; T765-I790 WeakPolarHBondContact O-CD1 3.48Å; P766-I790 VanDerWaalsContact CA-O 3.32Å; P766-I790 WeakPolarHBondContact CA-O 3.34Å; P766-I790 WeakPolarHBondContact CB-O 3.3Å; G767-I790 PolarHBondContact N-O 2.79Å; G767-I790 PolarHBondContact O-N 3.23Å; L769-I790 HydrophobicContact CD1-CD1 3.79Å; L769-I790 HydrophobicContact CG-CD1 4.11Å; L788-I790 HydrophobicContact CD2-CG1 4.47Å; L788-I790 HydrophobicContact CG-CG1 4.08Å |
| 791 | E | 92.1 | Very high | 83.5 | Confident | 103 Ų | 103 | 90.2 Ų | 90.2 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 140.2 | 174.6 | -63.3 | -172.6 | 156.3 | 0 | 0 | 110.5 | T708 V709 T710 E711 Q793 | T708-E791 HydrophobicContact CG2-CG 3.88Å; V709-E791 PolarHBondContact O-N 3.04Å; T710-E791 CarbonylContact C-O 3.57Å; T710-E791 WeakPolarHBondContact CA-O 3.22Å; T710-E791 HydrophobicContact CG2-CB 4.48Å; E711-E791 PolarHBondContact N-O 3.32Å; E791-Q793 PolarHBondContact O-N 3.34Å |
| 792 | P | 88.4 | Confident | 81.4 | Confident | 80 Ų | 80 | 93.2 Ų | 93.2 | 52% | 0.519 | 46% | 0.463 | S | S | . | . | trans | -63.2 | 134.9 | 178.2 | 27.1 | -34.3 | 0 | 0 | 0 | 111.1 | P766 L794 | P766-P792 HydrophobicContact CB-CB 4.06Å; P766-P792 HydrophobicContact CG-CB 3.78Å; P792-L794 PolarHBondContact O-N 2.97Å | ||
| 793 | Q | 84 | Confident | 79.3 | Confident | 140 Ų | 140 | 98.1 Ų | 98.1 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | trans | -69.2 | 103.6 | 169.6 | -175 | 173 | 42.1 | 0 | 0 | 108.3 | E711 E791 D795 | E711-Q793 HydrophobicContact CB-CB 4.14Å; E791-Q793 PolarHBondContact O-N 3.34Å; Q793-D795 PolarHBondContact O-N 3.33Å | ||
| 794 | L | 79.5 | Confident | 77.4 | Confident | 125 Ų | 125 | 102.5 Ų | 102.5 | 65% | 0.654 | 50% | 0.502 | S | S | * | . | trans | -58.7 | 106 | 176 | -76.1 | 169.1 | 0 | 0 | 0 | 109.9 | P792 F796 | P792-L794 PolarHBondContact O-N 2.97Å; L794-F796 HydrophobicContact CB-CD1 4.41Å; L794-F796 HydrophobicContact CB-CE1 3.84Å; L794-F796 HydrophobicContact CB-CZ 4.12Å; L794-F796 WeakPolarHBondContact O-CD2 3.4Å; L794-F796 WeakPolarHBondContact O-CE2 3.22Å; L794-F796 PolarHBondContact O-N 3.27Å | ||
| 795 | D | 70.6 | Confident | 75.7 | Confident | 77 Ų | 77 | 107.6 Ų | 107.6 | 41% | 0.412 | 54% | 0.535 | S | S | . | . | trans | -73.9 | 110.5 | 167.5 | -170.7 | -5.2 | 0 | 0 | 0 | 108.6 | Q793 R797 P798 | Q793-D795 PolarHBondContact O-N 3.33Å; D795-R797 PolarHBondContact O-N 3.1Å; D795-R797 VanDerWaalsContact OD1-CB 3.23Å; D795-R797 WeakPolarHBondContact OD1-CB 3.49Å; D795-R797 VanDerWaalsContact OD1-CG 3.27Å; D795-R797 WeakPolarHBondContact OD1-CG 3.33Å; D795-R797 IonicContact OD1-CZ 2.7Å; D795-R797 PolarHBondContact OD1-N 3.04Å; D795-R797 IonicContact OD1-NE 2.64Å; D795-R797 PolarHBondContact OD1-NE 3.45Å; D795-R797 IonicContact OD1-NH2 2.68Å; D795-R797 IonicContact OD2-CZ 3.64Å; D795-R797 IonicContact OD2-NE 2.81Å; D795-R797 PolarHBondContact OD2-NE 3.22Å; D795-R797 IonicContact OD2-NH2 3.59Å; D795-R797 PolarHBondContact OD2-NH2 3.34Å; D795-P798 WeakPolarHBondContact O-CD 3.28Å | ||
| 796 | F | 73.1 | Confident | 74 | Confident | 144 Ų | 144 | 107 Ų | 107 | 63% | 0.632 | 53% | 0.532 | S | S | * | . | trans | -75.4 | -4.1 | -179.9 | -48.5 | -71.9 | 0 | 0 | 0 | 113.2 | L794 P798 D799 L800 | L794-F796 HydrophobicContact CB-CD1 4.41Å; L794-F796 HydrophobicContact CB-CE1 3.84Å; L794-F796 HydrophobicContact CB-CZ 4.12Å; L794-F796 WeakPolarHBondContact O-CD2 3.4Å; L794-F796 WeakPolarHBondContact O-CE2 3.22Å; L794-F796 PolarHBondContact O-N 3.27Å; F796-P798 VanDerWaalsContact C-CD 3.41Å; F796-D799 PolarHBondContact O-N 3.15Å; F796-D799 VanDerWaalsContact O-N 3.13Å; F796-L800 PolarHBondContact O-N 3.33Å | ||
| 797 | R | 71.3 | Confident | 72.2 | Confident | 186 Ų | 186 | 110.2 Ų | 110.2 | 70% | 0.702 | 55% | 0.548 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -26.4 | -179.9 | -74.6 | 175.7 | -76.8 | -171.8 | -0.7 | 116.1 | D795 L800 | D795-R797 PolarHBondContact O-N 3.1Å; D795-R797 VanDerWaalsContact OD1-CB 3.23Å; D795-R797 WeakPolarHBondContact OD1-CB 3.49Å; D795-R797 VanDerWaalsContact OD1-CG 3.27Å; D795-R797 WeakPolarHBondContact OD1-CG 3.33Å; D795-R797 IonicContact OD1-CZ 2.7Å; D795-R797 PolarHBondContact OD1-N 3.04Å; D795-R797 IonicContact OD1-NE 2.64Å; D795-R797 PolarHBondContact OD1-NE 3.45Å; D795-R797 IonicContact OD1-NH2 2.68Å; D795-R797 IonicContact OD2-CZ 3.64Å; D795-R797 IonicContact OD2-NE 2.81Å; D795-R797 PolarHBondContact OD2-NE 3.22Å; D795-R797 IonicContact OD2-NH2 3.59Å; D795-R797 PolarHBondContact OD2-NH2 3.34Å; R797-L800 HydrophobicContact CG-CD1 4.49Å; R797-L800 WeakPolarHBondContact O-CB 3.29Å |
| 798 | P | 65.9 | Low | 70.5 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 66% | 0.662 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -31.4 | 171 | -18.4 | 34.2 | 0 | 0 | 0 | 113.5 | D795 F796 L800 | D795-P798 WeakPolarHBondContact O-CD 3.28Å; F796-P798 VanDerWaalsContact C-CD 3.41Å; P798-L800 VanDerWaalsContact C-N 3.29Å |
| 799 | D | 63.8 | Low | 69 | Low | 136 Ų | 136 | 119.2 Ų | 119.2 | 73% | 0.727 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -20.2 | 176.5 | -76.3 | -40.1 | 0 | 0 | 0 | 112.5 | F796 R801 | F796-D799 PolarHBondContact O-N 3.15Å; F796-D799 VanDerWaalsContact O-N 3.13Å; D799-R801 PolarHBondContact O-N 3.45Å |
| 800 | L | 59.7 | Low | 67.5 | Low | 131 Ų | 131 | 123.6 Ų | 123.6 | 69% | 0.686 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -65 | 73.9 | 154.5 | -60.2 | 178.2 | 0 | 0 | 0 | 109.4 | F796 R797 P798 H802 | F796-L800 PolarHBondContact O-N 3.33Å; R797-L800 HydrophobicContact CG-CD1 4.49Å; R797-L800 WeakPolarHBondContact O-CB 3.29Å; P798-L800 VanDerWaalsContact C-N 3.29Å; L800-H802 PolarHBondContact O-N 3.44Å |
| 801 | R | 54.1 | Low | 65.9 | Low | 218 Ų | 218 | 128.4 Ų | 128.4 | 82% | 0.823 | 63% | 0.633 | S | S | * | * | trans | -42.4 | 130.3 | 174.3 | -66 | -177.9 | -175.3 | 169.2 | 3.2 | 108.8 | D799 V803 | D799-R801 PolarHBondContact O-N 3.45Å; R801-V803 VanDerWaalsContact C-N 3.29Å; R801-V803 PolarHBondContact O-N 2.79Å | ||
| 802 | H | 50 | Low | 64.4 | Low | 174 Ų | 174 | 127.5 Ų | 127.5 | 81% | 0.806 | 63% | 0.631 | S | S | * | * | trans | -62.1 | 93.3 | -179.9 | -154.6 | 86.9 | 0 | 0 | 0 | 109.6 | L800 E804 | L800-H802 PolarHBondContact O-N 3.44Å; H802-E804 PolarHBondContact O-N 2.92Å | ||
| 803 | V | 51.3 | Low | 63.3 | Low | 124 Ų | 124 | 126 Ų | 126 | 75% | 0.752 | 63% | 0.626 | S | S | * | * | trans | -68.2 | 94 | 166.4 | 178.9 | 0 | 0 | 0 | 0 | 104.5 | R801 P805 | R801-V803 VanDerWaalsContact C-N 3.29Å; R801-V803 PolarHBondContact O-N 2.79Å; V803-P805 VanDerWaalsContact O-N 3.07Å | ||
| 804 | E | 56.9 | Low | 62.3 | Low | 145 Ų | 145 | 125.7 Ų | 125.7 | 68% | 0.678 | 62% | 0.624 | S | S | * | * | trans | -44.8 | 122.5 | 161.1 | -80.8 | -163.1 | 162 | 0 | 0 | 106.1 | H802 E806 | H802-E804 PolarHBondContact O-N 2.92Å; E804-E806 WeakPolarHBondContact O-CA 3.27Å; E804-E806 PolarHBondContact O-N 3.25Å | ||
| 805 | P | 58.4 | Low | 61.3 | Low | 114 Ų | 114 | 125.3 Ų | 125.3 | 74% | 0.74 | 62% | 0.622 | S | S | * | * | trans | -60 | 105.3 | -177 | 22.4 | -32.3 | 0 | 0 | 0 | 107.2 | V803 N807 | V803-P805 VanDerWaalsContact O-N 3.07Å; P805-N807 VanDerWaalsContact C-N 3.34Å; P805-N807 WeakPolarHBondContact O-CA 3.42Å; P805-N807 PolarHBondContact O-N 2.73Å | ||
| 806 | E | 59.3 | Low | 60.8 | Low | 118 Ų | 118 | 129.7 Ų | 129.7 | 55% | 0.551 | 64% | 0.637 | S | S | * | * | trans | -65.6 | 97.7 | -160.7 | -146.4 | -153 | -112 | 0 | 0 | 107.7 | E804 P808 K811 | E804-E806 WeakPolarHBondContact O-CA 3.27Å; E804-E806 PolarHBondContact O-N 3.25Å; E806-P808 WeakPolarHBondContact O-CA 3.43Å; E806-P808 WeakPolarHBondContact O-CD 3.46Å; E806-K811 IonicContact OE1-NZ 2.7Å; E806-K811 PolarHBondContact OE1-NZ 3.3Å; E806-K811 WeakPolarHBondContact OE2-CD 3.42Å; E806-K811 VanDerWaalsContact OE2-CE 3.26Å; E806-K811 WeakPolarHBondContact OE2-CE 3.4Å; E806-K811 IonicContact OE2-NZ 2.72Å; E806-K811 PolarHBondContact OE2-NZ 2.88Å | ||
| 807 | N | 59.2 | Low | 60.1 | Low | 87 Ų | 87 | 131.4 Ų | 131.4 | 47% | 0.465 | 65% | 0.645 | S | S | . | * | trans | -53 | 113 | -161.8 | 175.8 | -29 | 0 | 0 | 0 | 108 | P805 F809 K810 | P805-N807 VanDerWaalsContact C-N 3.34Å; P805-N807 WeakPolarHBondContact O-CA 3.42Å; P805-N807 PolarHBondContact O-N 2.73Å; N807-F809 PolarHBondContact O-N 2.87Å; N807-F809 WeakPolarHBondContact OD1-CD2 3.48Å; N807-F809 PolarHBondContact OD1-N 2.86Å; N807-K810 HydrophobicContact CB-CB 4.26Å; N807-K810 WeakPolarHBondContact O-CA 3.37Å; N807-K810 WeakPolarHBondContact O-CB 3.48Å; N807-K810 PolarHBondContact O-N 2.87Å | ||
| 808 | P | 60.2 | Low | 59.2 | Low | 92 Ų | 92 | 127.9 Ų | 127.9 | 60% | 0.597 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -63.2 | -28.7 | -160.8 | 19.7 | -31.7 | 0 | 0 | 0 | 111.1 | E806 K810 L812 | E806-P808 WeakPolarHBondContact O-CA 3.43Å; E806-P808 WeakPolarHBondContact O-CD 3.46Å; P808-K810 VanDerWaalsContact C-N 3.32Å; P808-K810 PolarHBondContact O-N 2.72Å; P808-L812 VanDerWaalsContact O-CB 3.28Å; P808-L812 WeakPolarHBondContact O-CB 3.19Å; P808-L812 PolarHBondContact O-N 3.06Å; P808-L812 VanDerWaalsContact O-N 3.07Å |
| 809 | F | 62 | Low | 58.7 | Low | 156 Ų | 156 | 132.3 Ų | 132.3 | 68% | 0.684 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.7 | -26.9 | 174.3 | -57.5 | -76.4 | 0 | 0 | 0 | 113.7 | N807 A813 | N807-F809 PolarHBondContact O-N 2.87Å; N807-F809 WeakPolarHBondContact OD1-CD2 3.48Å; N807-F809 PolarHBondContact OD1-N 2.86Å; F809-A813 WeakPolarHBondContact O-CB 3.04Å; F809-A813 PolarHBondContact O-N 3.36Å |
| 810 | K | 64 | Low | 58.1 | Low | 139 Ų | 139 | 130.3 Ų | 130.3 | 60% | 0.604 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.4 | -48.7 | 179.6 | -151.9 | 176.8 | -172.6 | -178.7 | 0 | 110.7 | N807 P808 Q814 | N807-K810 HydrophobicContact CB-CB 4.26Å; N807-K810 WeakPolarHBondContact O-CA 3.37Å; N807-K810 WeakPolarHBondContact O-CB 3.48Å; N807-K810 PolarHBondContact O-N 2.87Å; P808-K810 VanDerWaalsContact C-N 3.32Å; P808-K810 PolarHBondContact O-N 2.72Å; K810-Q814 WeakPolarHBondContact O-CG 3.37Å; K810-Q814 PolarHBondContact O-N 2.7Å |
| 811 | K | 60.8 | Low | 58.2 | Low | 105 Ų | 105 | 126.2 Ų | 126.2 | 46% | 0.457 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.7 | -42.4 | 174 | -138.8 | 178.3 | -144.3 | 139.2 | 0 | 111.3 | E806 A813 Q814 L815 | E806-K811 IonicContact OE1-NZ 2.7Å; E806-K811 PolarHBondContact OE1-NZ 3.3Å; E806-K811 WeakPolarHBondContact OE2-CD 3.42Å; E806-K811 VanDerWaalsContact OE2-CE 3.26Å; E806-K811 WeakPolarHBondContact OE2-CE 3.4Å; E806-K811 IonicContact OE2-NZ 2.72Å; E806-K811 PolarHBondContact OE2-NZ 2.88Å; K811-A813 PolarHBondContact O-N 3.01Å; K811-Q814 PolarHBondContact O-N 2.95Å; K811-L815 PolarHBondContact O-N 2.77Å |
| 812 | L | 60.4 | Low | 58.7 | Low | 85 Ų | 85 | 122.5 Ų | 122.5 | 45% | 0.445 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -64.7 | -35.4 | 178.4 | -147.2 | 77.5 | 0 | 0 | 0 | 112.9 | P808 K816 | P808-L812 VanDerWaalsContact O-CB 3.28Å; P808-L812 WeakPolarHBondContact O-CB 3.19Å; P808-L812 PolarHBondContact O-N 3.06Å; P808-L812 VanDerWaalsContact O-N 3.07Å; L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.28Å; L812-K816 VanDerWaalsContact O-CG 3.26Å; L812-K816 WeakPolarHBondContact O-CG 3.16Å; L812-K816 PolarHBondContact O-N 2.84Å |
| 813 | A | 64.5 | Low | 59.4 | Low | 49 Ų | 49 | 121.4 Ų | 121.4 | 41% | 0.405 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -77 | -21.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | F809 K811 K817 | F809-A813 WeakPolarHBondContact O-CB 3.04Å; F809-A813 PolarHBondContact O-N 3.36Å; K811-A813 PolarHBondContact O-N 3.01Å; A813-K817 WeakPolarHBondContact O-CD 3.45Å; A813-K817 WeakPolarHBondContact O-CG 3.36Å |
| 814 | Q | 62.6 | Low | 59.7 | Low | 132 Ų | 132 | 119.8 Ų | 119.8 | 62% | 0.617 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -77.6 | -49.2 | 167.9 | -70.7 | 176 | 2.6 | 0 | 0 | 110.5 | K810 K811 K816 K817 | K810-Q814 WeakPolarHBondContact O-CG 3.37Å; K810-Q814 PolarHBondContact O-N 2.7Å; K811-Q814 PolarHBondContact O-N 2.95Å; Q814-K816 VanDerWaalsContact C-N 3.32Å; Q814-K816 PolarHBondContact O-N 2.9Å; Q814-K817 PolarHBondContact O-N 2.9Å |
| 815 | L | 59.3 | Low | 60 | Low | 118 Ų | 118 | 115.7 Ų | 115.7 | 62% | 0.618 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -59.8 | -38.5 | 177.7 | -75.9 | 162.5 | 0 | 0 | 0 | 112.6 | K811 K817 V818 | K811-L815 PolarHBondContact O-N 2.77Å; L815-K817 PolarHBondContact O-N 2.87Å; L815-K817 VanDerWaalsContact O-N 3.15Å; L815-V818 PolarHBondContact O-N 2.91Å |
| 816 | K | 59.7 | Low | 60.3 | Low | 168 Ų | 168 | 113.5 Ų | 113.5 | 73% | 0.73 | 58% | 0.583 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68 | -4.2 | 174.4 | -77.2 | 178.9 | 177 | -177.5 | 0 | 115.2 | L812 Q814 | L812-K816 VanDerWaalsContact O-CB 3.29Å; L812-K816 WeakPolarHBondContact O-CB 3.28Å; L812-K816 VanDerWaalsContact O-CG 3.26Å; L812-K816 WeakPolarHBondContact O-CG 3.16Å; L812-K816 PolarHBondContact O-N 2.84Å; Q814-K816 VanDerWaalsContact C-N 3.32Å; Q814-K816 PolarHBondContact O-N 2.9Å |
| 817 | K | 58.8 | Low | 60.3 | Low | 181 Ų | 181 | 110.7 Ų | 110.7 | 79% | 0.787 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.6 | -8.4 | 176.4 | -71.9 | 177.4 | -178.5 | -177 | 0 | 114 | A813 Q814 L815 K819 | A813-K817 WeakPolarHBondContact O-CD 3.45Å; A813-K817 WeakPolarHBondContact O-CG 3.36Å; Q814-K817 PolarHBondContact O-N 2.9Å; L815-K817 PolarHBondContact O-N 2.87Å; L815-K817 VanDerWaalsContact O-N 3.15Å; K817-K819 PolarHBondContact O-N 2.87Å |
| 818 | V | 53.1 | Low | 60.3 | Low | 111 Ų | 111 | 115.1 Ų | 115.1 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -79.5 | 119.6 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 108.7 | L815 C820 | L815-V818 PolarHBondContact O-N 2.91Å; V818-C820 PolarHBondContact O-N 2.84Å |
| 819 | K | 53.9 | Low | 60.2 | Low | 196 Ų | 196 | 120.9 Ų | 120.9 | 85% | 0.852 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 131.5 | 167.7 | -81.2 | -174 | 173.7 | -176.7 | 0 | 108.6 | K817 S821 | K817-K819 PolarHBondContact O-N 2.87Å; K819-S821 PolarHBondContact O-N 3.05Å |
| 820 | C | 52.9 | Low | 59.8 | Low | 94 Ų | 94 | 121.7 Ų | 121.7 | 64% | 0.635 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 128.2 | 169.3 | -167.9 | 0 | 0 | 0 | 0 | 109.1 | V818 | V818-C820 PolarHBondContact O-N 2.84Š|
| 821 | S | 61.1 | Low | 59.1 | Low | 45 Ų | 45 | 120.9 Ų | 120.9 | 32% | 0.315 | 62% | 0.617 | S | S | . | * | P | Polyproline II helix | trans | -82 | 152.7 | 173.8 | 62.2 | 0 | 0 | 0 | 0 | 110.9 | K819 E823 L824 S825 | K819-S821 PolarHBondContact O-N 3.05Å; S821-E823 PolarHBondContact O-N 3.08Å; S821-L824 WeakPolarHBondContact O-CB 3.29Å; S821-L824 PolarHBondContact O-N 3.08Å; S821-L824 VanDerWaalsContact O-N 3.1Å; S821-S825 PolarHBondContact O-N 3.43Å |
| 822 | D | 63.9 | Low | 58.9 | Low | 140 Ų | 140 | 125.3 Ų | 125.3 | 75% | 0.749 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -61.9 | -27.1 | 177.8 | -58.3 | -71.1 | 0 | 0 | 0 | 112.3 | S825 S826 | D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.33Å; D822-S826 PolarHBondContact O-N 3.06Å |
| 823 | E | 65.7 | Low | 58.5 | Low | 151 Ų | 151 | 124.8 Ų | 124.8 | 71% | 0.706 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -60.8 | -46.3 | 172.5 | -60.8 | 179.5 | 130.6 | 0 | 0 | 112.2 | S821 S825 S826 A827 | S821-E823 PolarHBondContact O-N 3.08Å; E823-S825 VanDerWaalsContact C-N 3.35Å; E823-S825 PolarHBondContact O-N 3.23Å; E823-S826 WeakPolarHBondContact O-CB 3.45Å; E823-S826 PolarHBondContact O-N 2.82Å; E823-S826 VanDerWaalsContact O-N 3.13Å; E823-S826 PolarHBondContact O-OG 2.85Å; E823-A827 PolarHBondContact O-N 2.7Å |
| 824 | L | 57.1 | Low | 58 | Low | 90 Ų | 90 | 130.5 Ų | 130.5 | 47% | 0.471 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -61.8 | -42.2 | 177.6 | -91.8 | 163.3 | 0 | 0 | 0 | 111.4 | S821 S826 A827 F828 | S821-L824 WeakPolarHBondContact O-CB 3.29Å; S821-L824 PolarHBondContact O-N 3.08Å; S821-L824 VanDerWaalsContact O-N 3.1Å; L824-S826 PolarHBondContact O-N 3.44Å; L824-A827 PolarHBondContact O-N 3.48Å; L824-F828 HydrophobicContact CD2-CE2 4.3Å; L824-F828 WeakPolarHBondContact O-CD2 3.47Å; L824-F828 PolarHBondContact O-N 2.98Å |
| 825 | S | 64.1 | Low | 57.6 | Low | 59 Ų | 59 | 127.4 Ų | 127.4 | 41% | 0.413 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -70.8 | -17.4 | 177.5 | 69.2 | 0 | 0 | 0 | 0 | 113.7 | S821 D822 E823 | S821-S825 PolarHBondContact O-N 3.43Å; D822-S825 PolarHBondContact O-N 3.01Å; D822-S825 PolarHBondContact O-OG 3.33Å; E823-S825 VanDerWaalsContact C-N 3.35Å; E823-S825 PolarHBondContact O-N 3.23Å |
| 826 | S | 63.9 | Low | 57.6 | Low | 67 Ų | 67 | 128.3 Ų | 128.3 | 47% | 0.469 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -81.7 | -37.1 | 168.6 | 87 | 0 | 0 | 0 | 0 | 113.2 | D822 E823 L824 F828 R829 | D822-S826 PolarHBondContact O-N 3.06Å; E823-S826 WeakPolarHBondContact O-CB 3.45Å; E823-S826 PolarHBondContact O-N 2.82Å; E823-S826 VanDerWaalsContact O-N 3.13Å; E823-S826 PolarHBondContact O-OG 2.85Å; L824-S826 PolarHBondContact O-N 3.44Å; S826-F828 PolarHBondContact O-N 3.2Å; S826-R829 PolarHBondContact O-N 3.21Å |
| 827 | A | 59.9 | Low | 57.7 | Low | 59 Ų | 59 | 125.4 Ų | 125.4 | 49% | 0.488 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -63.9 | -42.2 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | E823 L824 R829 K830 | E823-A827 PolarHBondContact O-N 2.7Å; L824-A827 PolarHBondContact O-N 3.48Å; A827-R829 PolarHBondContact O-N 3.21Å; A827-K830 PolarHBondContact O-N 3.09Å |
| 828 | F | 57.8 | Low | 57.8 | Low | 180 Ų | 180 | 122.6 Ų | 122.6 | 79% | 0.789 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.2 | -2.6 | 178.6 | -77 | -72.4 | 0 | 0 | 0 | 115.1 | L824 S826 | L824-F828 HydrophobicContact CD2-CE2 4.3Å; L824-F828 WeakPolarHBondContact O-CD2 3.47Å; L824-F828 PolarHBondContact O-N 2.98Å; S826-F828 PolarHBondContact O-N 3.2Å |
| 829 | R | 59.1 | Low | 58.5 | Low | 214 Ų | 214 | 126.1 Ų | 126.1 | 81% | 0.808 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.9 | -1.2 | 179.7 | -61 | -170.6 | -175.2 | -133.7 | 3.2 | 115 | S826 A827 | S826-R829 PolarHBondContact O-N 3.21Å; A827-R829 PolarHBondContact O-N 3.21Å |
| 830 | K | 52.9 | Low | 59.4 | Low | 173 Ų | 173 | 124.7 Ų | 124.7 | 75% | 0.752 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -90 | 139.8 | -179.2 | -67.4 | -176.7 | -179.9 | 176.6 | 0 | 112.1 | A827 | A827-K830 PolarHBondContact O-N 3.09Š|
| 831 | P | 49.5 | Very low | 60.1 | Low | 121 Ų | 121 | 125.5 Ų | 125.5 | 79% | 0.786 | 64% | 0.638 | S | S | * | * | trans | -72 | 155.6 | -170.8 | -20 | 34.1 | 0 | 0 | 0 | 115.2 | A833 | P831-A833 PolarHBondContact O-N 3.22Š| ||
| 832 | K | 56.2 | Low | 60.6 | Low | 198 Ų | 198 | 129.2 Ų | 129.2 | 86% | 0.861 | 65% | 0.65 | S | S | * | * | G | 310 helix | trans | -66.6 | 12.5 | -168.8 | -58 | -178.8 | 176.3 | 178.4 | 0 | 117.3 | Q834 | K832-Q834 PolarHBondContact O-N 3.24Š|
| 833 | A | 53.1 | Low | 61.1 | Low | 74 Ų | 74 | 130.7 Ų | 130.7 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | G | 310 helix | trans | -62.7 | -42.7 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | P831 A835 L836 | P831-A833 PolarHBondContact O-N 3.22Å; A833-A835 VanDerWaalsContact C-N 3.27Å; A833-A835 PolarHBondContact O-N 3.42Å; A833-L836 PolarHBondContact O-N 2.81Å |
| 834 | Q | 53.8 | Low | 61.4 | Low | 170 Ų | 170 | 128.8 Ų | 128.8 | 79% | 0.794 | 64% | 0.636 | S | S | * | * | G | 310 helix | trans | -70.7 | -16.6 | -172.4 | -69.9 | 176.1 | -42.5 | 0 | 0 | 114.6 | K832 L836 | K832-Q834 PolarHBondContact O-N 3.24Å; Q834-L836 PolarHBondContact O-N 2.76Å |
| 835 | A | 54.4 | Low | 61.9 | Low | 67 Ų | 67 | 130.2 Ų | 130.2 | 55% | 0.554 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -74.8 | -12.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | A833 | A833-A835 VanDerWaalsContact C-N 3.27Å; A833-A835 PolarHBondContact O-N 3.42Å |
| 836 | L | 58.1 | Low | 62 | Low | 136 Ų | 136 | 133.7 Ų | 133.7 | 71% | 0.712 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -86.3 | -33.9 | -179.7 | -106.9 | 162.6 | 0 | 0 | 0 | 113.2 | A833 Q834 R840 | A833-L836 PolarHBondContact O-N 2.81Å; Q834-L836 PolarHBondContact O-N 2.76Å; L836-R840 PolarHBondContact O-N 3.26Å |
| 837 | D | 63.1 | Low | 62 | Low | 108 Ų | 108 | 135 Ų | 135 | 58% | 0.578 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -72.2 | -38.5 | 179.1 | -84.1 | -29.2 | 0 | 0 | 0 | 112.6 | R839 R840 L841 | D837-R839 VanDerWaalsContact C-N 3.35Å; D837-R839 PolarHBondContact O-N 2.96Å; D837-R840 WeakPolarHBondContact O-CA 3.3Å; D837-R840 VanDerWaalsContact O-CB 3.28Å; D837-R840 WeakPolarHBondContact O-CB 3.44Å; D837-R840 PolarHBondContact O-N 3.03Å; D837-L841 PolarHBondContact O-N 3.07Å |
| 838 | L | 59.7 | Low | 62.3 | Low | 121 Ų | 121 | 142 Ų | 142 | 63% | 0.634 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -57.4 | -48 | 176.3 | -71.4 | 170 | 0 | 0 | 0 | 111.5 | R840 L841 E842 | L838-R840 PolarHBondContact O-N 3.3Å; L838-L841 WeakPolarHBondContact O-CB 3.33Å; L838-L841 PolarHBondContact O-N 3.11Å; L838-L841 VanDerWaalsContact O-N 3.12Å; L838-E842 PolarHBondContact O-N 2.89Å |
| 839 | R | 68 | Low | 62 | Low | 186 Ų | 186 | 135.7 Ų | 135.7 | 70% | 0.702 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -68.9 | -16.9 | 177.1 | -160.8 | -175.3 | -66.2 | -173.5 | -4.2 | 113.3 | D837 | D837-R839 VanDerWaalsContact C-N 3.35Å; D837-R839 PolarHBondContact O-N 2.96Å |
| 840 | R | 72.2 | Confident | 62 | Low | 166 Ų | 166 | 133.5 Ų | 133.5 | 63% | 0.626 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.7 | -41 | 171.4 | -164 | 178.7 | -171.6 | 166.6 | 3.9 | 110.7 | L836 D837 L838 R843 E844 | L836-R840 PolarHBondContact O-N 3.26Å; D837-R840 WeakPolarHBondContact O-CA 3.3Å; D837-R840 VanDerWaalsContact O-CB 3.28Å; D837-R840 WeakPolarHBondContact O-CB 3.44Å; D837-R840 PolarHBondContact O-N 3.03Å; L838-R840 PolarHBondContact O-N 3.3Å; R840-R843 PolarHBondContact O-N 2.86Å; R840-E844 PolarHBondContact O-N 2.78Å; R840-E844 VanDerWaalsContact O-N 3.15Å |
| 841 | L | 69.2 | Low | 62.1 | Low | 111 Ų | 111 | 130.2 Ų | 130.2 | 58% | 0.581 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -67.2 | -43.6 | 179.3 | -143.4 | 79.3 | 0 | 0 | 0 | 112.5 | D837 L838 R843 E844 L845 | D837-L841 PolarHBondContact O-N 3.07Å; L838-L841 WeakPolarHBondContact O-CB 3.33Å; L838-L841 PolarHBondContact O-N 3.11Å; L838-L841 VanDerWaalsContact O-N 3.12Å; L841-R843 VanDerWaalsContact C-N 3.3Å; L841-R843 PolarHBondContact O-N 2.79Å; L841-E844 PolarHBondContact O-N 3.34Å; L841-L845 PolarHBondContact O-N 2.79Å |
| 842 | E | 71.3 | Confident | 62.3 | Low | 122 Ų | 122 | 128.8 Ų | 128.8 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -56.1 | -45.6 | 173.8 | -70.7 | 172.7 | 136 | 0 | 0 | 111.1 | L838 E844 L845 E846 | L838-E842 PolarHBondContact O-N 2.89Å; E842-E844 VanDerWaalsContact C-N 3.34Å; E842-E844 PolarHBondContact O-N 2.8Å; E842-L845 WeakPolarHBondContact O-CB 3.35Å; E842-L845 PolarHBondContact O-N 3.27Å; E842-L845 VanDerWaalsContact O-N 3.12Å; E842-E846 PolarHBondContact O-N 3.41Å |
| 843 | R | 73.5 | Confident | 62.3 | Low | 172 Ų | 172 | 122.5 Ų | 122.5 | 65% | 0.649 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -70 | -26.6 | -178.2 | -163.6 | 172.6 | -176.9 | 173 | 2.1 | 113.8 | R840 L841 N847 | R840-R843 PolarHBondContact O-N 2.86Å; L841-R843 VanDerWaalsContact C-N 3.3Å; L841-R843 PolarHBondContact O-N 2.79Å; R843-N847 WeakPolarHBondContact O-CB 3.21Å; R843-N847 VanDerWaalsContact O-CG 3.27Å; R843-N847 PolarHBondContact O-N 3.41Å; R843-N847 PolarHBondContact O-ND2 3.4Å |
| 844 | E | 72.7 | Confident | 62.2 | Low | 111 Ų | 111 | 120.7 Ų | 120.7 | 52% | 0.519 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -73.4 | -31.6 | 171 | -75.3 | -179.2 | -177.5 | 0 | 0 | 112.2 | R840 L841 E842 R848 | R840-E844 PolarHBondContact O-N 2.78Å; R840-E844 VanDerWaalsContact O-N 3.15Å; L841-E844 PolarHBondContact O-N 3.34Å; E842-E844 VanDerWaalsContact C-N 3.34Å; E842-E844 PolarHBondContact O-N 2.8Å; E844-R848 PolarHBondContact O-N 3.05Å |
| 845 | L | 67.7 | Low | 62.2 | Low | 120 Ų | 120 | 117.9 Ų | 117.9 | 63% | 0.628 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -71.2 | -45.2 | 173.1 | -74.8 | 162.6 | 0 | 0 | 0 | 111.9 | L841 E842 N847 R848 G849 | L841-L845 PolarHBondContact O-N 2.79Å; E842-L845 WeakPolarHBondContact O-CB 3.35Å; E842-L845 PolarHBondContact O-N 3.27Å; E842-L845 VanDerWaalsContact O-N 3.12Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.75Å; L845-R848 PolarHBondContact O-N 3.4Å; L845-G849 PolarHBondContact O-N 3.2Å |
| 846 | E | 65.2 | Low | 62.2 | Low | 131 Ų | 131 | 120.8 Ų | 120.8 | 61% | 0.612 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -57.4 | -45 | 174.5 | -70.6 | -176.2 | 121.7 | 0 | 0 | 112.2 | E842 R848 G849 R850 | E842-E846 PolarHBondContact O-N 3.41Å; E846-R848 PolarHBondContact O-N 3.19Å; E846-G849 PolarHBondContact O-N 3.27Å; E846-R850 PolarHBondContact O-N 3.41Å |
| 847 | N | 64.9 | Low | 62.4 | Low | 95 Ų | 95 | 118.2 Ų | 118.2 | 51% | 0.508 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -60.7 | -43.8 | 177.2 | -79.7 | -12.6 | 0 | 0 | 0 | 111.9 | R843 L845 G849 R850 S851 | R843-N847 WeakPolarHBondContact O-CB 3.21Å; R843-N847 VanDerWaalsContact O-CG 3.27Å; R843-N847 PolarHBondContact O-N 3.41Å; R843-N847 PolarHBondContact O-ND2 3.4Å; L845-N847 VanDerWaalsContact C-N 3.34Å; L845-N847 PolarHBondContact O-N 2.75Å; N847-G849 VanDerWaalsContact C-N 3.31Å; N847-G849 PolarHBondContact O-N 3.15Å; N847-R850 PolarHBondContact O-N 3.42Å; N847-S851 PolarHBondContact O-N 3.4Å; N847-S851 VanDerWaalsContact O-N 3.09Å; N847-S851 PolarHBondContact O-OG 3.12Å |
| 848 | R | 65.3 | Low | 62.5 | Low | 205 Ų | 205 | 119.2 Ų | 119.2 | 77% | 0.774 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -63.3 | -35.6 | 175.7 | -89.6 | -175 | 168.3 | 176.2 | -1.4 | 113 | E844 L845 E846 | E844-R848 PolarHBondContact O-N 3.05Å; L845-R848 PolarHBondContact O-N 3.4Å; E846-R848 PolarHBondContact O-N 3.19Å |
| 849 | G | 53.1 | Low | 62.8 | Low | 49 Ų | 49 | 120.5 Ų | 120.5 | 51% | 0.505 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -61.8 | -49.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L845 E846 N847 S851 A852 | L845-G849 PolarHBondContact O-N 3.2Å; E846-G849 PolarHBondContact O-N 3.27Å; N847-G849 VanDerWaalsContact C-N 3.31Å; N847-G849 PolarHBondContact O-N 3.15Å; G849-S851 PolarHBondContact O-N 3.44Å; G849-A852 PolarHBondContact O-N 3.21Å |
| 850 | R | 57.2 | Low | 62.6 | Low | 168 Ų | 168 | 116.1 Ų | 116.1 | 63% | 0.634 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.1 | -36.7 | -179.7 | -70.6 | -171.6 | 179.7 | -114.4 | -2 | 113.3 | E846 N847 A852 | E846-R850 PolarHBondContact O-N 3.41Å; N847-R850 PolarHBondContact O-N 3.42Å; R850-A852 PolarHBondContact O-N 3.32Å |
| 851 | S | 55.8 | Low | 62.5 | Low | 104 Ų | 104 | 113.6 Ų | 113.6 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67 | -15.8 | 179 | -62.1 | 0 | 0 | 0 | 0 | 114.9 | N847 G849 | N847-S851 PolarHBondContact O-N 3.4Å; N847-S851 VanDerWaalsContact O-N 3.09Å; N847-S851 PolarHBondContact O-OG 3.12Å; G849-S851 PolarHBondContact O-N 3.44Å |
| 852 | A | 54.8 | Low | 62.7 | Low | 91 Ų | 91 | 113 Ų | 113 | 75% | 0.752 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.4 | -12.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | G849 R850 | G849-A852 PolarHBondContact O-N 3.21Å; R850-A852 PolarHBondContact O-N 3.32Å |
| 853 | A | 54.6 | Low | 62.7 | Low | 66 Ų | 66 | 112.7 Ų | 112.7 | 55% | 0.545 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -116.2 | 4 | -173 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 854 | G | 52.3 | Low | 62.5 | Low | 35 Ų | 35 | 111.6 Ų | 111.6 | 36% | 0.361 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -75.3 | -27.9 | -161.9 | 0 | 0 | 0 | 0 | 0 | 117 | E858 | G854-E858 WeakPolarHBondContact O-CB 3.41Å; G854-E858 PolarHBondContact O-N 3.5Å |
| 855 | V | 52.5 | Low | 62.5 | Low | 111 Ų | 111 | 109.6 Ų | 109.6 | 67% | 0.673 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -78.6 | -55.4 | -164.4 | -170.4 | 0 | 0 | 0 | 0 | 112.5 | V857 E858 E859 | V855-V857 VanDerWaalsContact C-N 3.31Å; V855-V857 PolarHBondContact O-N 3.34Å; V855-E858 PolarHBondContact O-N 3.15Å; V855-E859 PolarHBondContact O-N 3Å |
| 856 | D | 55.9 | Low | 62.8 | Low | 129 Ų | 129 | 112.1 Ų | 112.1 | 69% | 0.69 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -70.4 | -28.6 | -172.8 | -52.2 | -40.3 | 0 | 0 | 0 | 112.8 | T860 | D856-T860 WeakPolarHBondContact O-CB 3.35Å; D856-T860 PolarHBondContact O-N 3.37Å; D856-T860 PolarHBondContact O-OG1 3.41Å |
| 857 | V | 62 | Low | 63 | Low | 82 Ų | 82 | 109.4 Ų | 109.4 | 50% | 0.497 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -73.9 | -44.9 | 178.4 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | V855 E859 T860 E861 | V855-V857 VanDerWaalsContact C-N 3.31Å; V855-V857 PolarHBondContact O-N 3.34Å; V857-E859 PolarHBondContact O-N 2.95Å; V857-T860 PolarHBondContact O-N 3.04Å; V857-T860 VanDerWaalsContact O-N 3.16Å; V857-E861 PolarHBondContact O-N 3.25Å |
| 858 | E | 64.6 | Low | 63.1 | Low | 128 Ų | 128 | 107.5 Ų | 107.5 | 60% | 0.598 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -68 | -36.4 | -176.9 | -172.7 | 168.1 | -166.4 | 0 | 0 | 112.1 | G854 V855 T860 N862 | G854-E858 WeakPolarHBondContact O-CB 3.41Å; G854-E858 PolarHBondContact O-N 3.5Å; V855-E858 PolarHBondContact O-N 3.15Å; E858-T860 VanDerWaalsContact C-N 3.35Å; E858-N862 VanDerWaalsContact O-CB 3.3Å; E858-N862 WeakPolarHBondContact O-CB 3.48Å; E858-N862 PolarHBondContact O-N 3.23Å; E858-N862 VanDerWaalsContact O-N 3.09Å; E858-N862 PolarHBondContact O-ND2 3.42Å |
| 859 | E | 65.5 | Low | 63.2 | Low | 148 Ų | 148 | 100.5 Ų | 100.5 | 69% | 0.692 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.1 | -39.5 | 170.9 | -70.7 | -153.8 | 136.2 | 0 | 0 | 112.2 | V855 V857 N862 L863 | V855-E859 PolarHBondContact O-N 3Å; V857-E859 PolarHBondContact O-N 2.95Å; E859-N862 PolarHBondContact O-N 3.43Å; E859-L863 WeakPolarHBondContact O-CB 3.45Å; E859-L863 PolarHBondContact O-N 3.43Å |
| 860 | T | 64.9 | Low | 63.6 | Low | 95 Ų | 95 | 103.5 Ų | 103.5 | 58% | 0.583 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.3 | -45.7 | -178.8 | -58.3 | 0 | 0 | 0 | 0 | 112.1 | D856 V857 E858 L863 Y864 | D856-T860 WeakPolarHBondContact O-CB 3.35Å; D856-T860 PolarHBondContact O-N 3.37Å; D856-T860 PolarHBondContact O-OG1 3.41Å; V857-T860 PolarHBondContact O-N 3.04Å; V857-T860 VanDerWaalsContact O-N 3.16Å; E858-T860 VanDerWaalsContact C-N 3.35Å; T860-L863 PolarHBondContact O-N 3.12Å; T860-Y864 PolarHBondContact O-N 2.96Å |
| 861 | E | 69.3 | Low | 63.4 | Low | 112 Ų | 112 | 100.9 Ų | 100.9 | 52% | 0.523 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -67.1 | -37.1 | 176.2 | -69.9 | -165 | 145.9 | 0 | 0 | 112.4 | V857 Y864 S865 | V857-E861 PolarHBondContact O-N 3.25Å; E861-Y864 PolarHBondContact O-N 3.34Å; E861-S865 VanDerWaalsContact O-CB 3.28Å; E861-S865 WeakPolarHBondContact O-CB 3.47Å; E861-S865 PolarHBondContact O-N 3.26Å; E861-S865 PolarHBondContact O-OG 3.02Å |
| 862 | N | 73.2 | Confident | 63.3 | Low | 99 Ų | 99 | 105 Ų | 105 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.1 | -42.1 | 173.5 | -86.8 | -71.3 | 0 | 0 | 0 | 111.7 | E858 E859 S865 R866 | E858-N862 VanDerWaalsContact O-CB 3.3Å; E858-N862 WeakPolarHBondContact O-CB 3.48Å; E858-N862 PolarHBondContact O-N 3.23Å; E858-N862 VanDerWaalsContact O-N 3.09Å; E858-N862 PolarHBondContact O-ND2 3.42Å; E859-N862 PolarHBondContact O-N 3.43Å; N862-S865 PolarHBondContact O-N 3.24Å; N862-R866 WeakPolarHBondContact O-CB 3.26Å; N862-R866 PolarHBondContact O-N 3.14Å |
| 863 | L | 72.1 | Confident | 63.3 | Low | 116 Ų | 116 | 105 Ų | 105 | 61% | 0.607 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62.3 | -47.5 | 176.9 | -172.8 | 67.2 | 0 | 0 | 0 | 111.3 | E859 T860 S865 R866 V867 | E859-L863 WeakPolarHBondContact O-CB 3.45Å; E859-L863 PolarHBondContact O-N 3.43Å; T860-L863 PolarHBondContact O-N 3.12Å; L863-S865 PolarHBondContact O-N 3.37Å; L863-R866 WeakPolarHBondContact O-CB 3.48Å; L863-R866 PolarHBondContact O-N 3.48Å; L863-R866 VanDerWaalsContact O-N 3.17Å; L863-V867 PolarHBondContact O-N 3.22Å; L863-V867 VanDerWaalsContact O-N 3.08Å |
| 864 | Y | 68.5 | Low | 62.8 | Low | 149 Ų | 149 | 108.4 Ų | 108.4 | 58% | 0.584 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.7 | -43.7 | 177.2 | -173.5 | -110.4 | 0 | 0 | 0 | 112 | T860 E861 R866 V867 Q868 | T860-Y864 PolarHBondContact O-N 2.96Å; E861-Y864 PolarHBondContact O-N 3.34Å; Y864-R866 VanDerWaalsContact C-N 3.3Å; Y864-R866 PolarHBondContact O-N 2.98Å; Y864-V867 PolarHBondContact O-N 3Å; Y864-Q868 HydrophobicContact CD1-CG 4.27Å; Y864-Q868 HydrophobicContact CE1-CG 3.95Å; Y864-Q868 HydrophobicContact CE2-CG 4.35Å; Y864-Q868 WeakPolarHBondContact O-CB 3.28Å; Y864-Q868 WeakPolarHBondContact O-CG 3.46Å; Y864-Q868 PolarHBondContact O-N 2.7Å; Y864-Q868 PolarHBondContact OH-NE2 3.13Å |
| 865 | S | 73.5 | Confident | 62.5 | Low | 68 Ų | 68 | 118 Ų | 118 | 48% | 0.476 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.8 | -34.6 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 112.8 | E861 N862 L863 S869 | E861-S865 VanDerWaalsContact O-CB 3.28Å; E861-S865 WeakPolarHBondContact O-CB 3.47Å; E861-S865 PolarHBondContact O-N 3.26Å; E861-S865 PolarHBondContact O-OG 3.02Å; N862-S865 PolarHBondContact O-N 3.24Å; L863-S865 PolarHBondContact O-N 3.37Å; S865-S869 WeakPolarHBondContact O-CB 3.38Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.39Å |
| 866 | R | 73.6 | Confident | 61.7 | Low | 173 Ų | 173 | 123.6 Ų | 123.6 | 65% | 0.653 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -69 | -39 | 176.5 | -150.7 | 173.8 | -157.2 | 155.3 | 4.3 | 112.2 | N862 L863 Y864 S869 Q870 | N862-R866 WeakPolarHBondContact O-CB 3.26Å; N862-R866 PolarHBondContact O-N 3.14Å; L863-R866 WeakPolarHBondContact O-CB 3.48Å; L863-R866 PolarHBondContact O-N 3.48Å; L863-R866 VanDerWaalsContact O-N 3.17Å; Y864-R866 VanDerWaalsContact C-N 3.3Å; Y864-R866 PolarHBondContact O-N 2.98Å; R866-S869 WeakPolarHBondContact CA-OG 3.5Å; R866-S869 PolarHBondContact O-OG 3.23Å; R866-Q870 VanDerWaalsContact O-CG 3.32Å; R866-Q870 WeakPolarHBondContact O-CG 3.47Å; R866-Q870 PolarHBondContact O-N 3.34Å |
| 867 | V | 68.8 | Low | 60.9 | Low | 74 Ų | 74 | 122.7 Ų | 122.7 | 45% | 0.448 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -69.9 | -47 | 174.6 | 175.4 | 0 | 0 | 0 | 0 | 110.9 | L863 Y864 S869 Q870 L871 | L863-V867 PolarHBondContact O-N 3.22Å; L863-V867 VanDerWaalsContact O-N 3.08Å; Y864-V867 PolarHBondContact O-N 3Å; V867-S869 VanDerWaalsContact C-N 3.31Å; V867-S869 PolarHBondContact O-N 3.35Å; V867-Q870 PolarHBondContact O-N 3.39Å; V867-L871 HydrophobicContact CG1-CD1 3.93Å; V867-L871 WeakPolarHBondContact O-CG 3.29Å; V867-L871 PolarHBondContact O-N 3.46Å |
| 868 | Q | 68 | Low | 59.7 | Low | 55 Ų | 55 | 124.6 Ų | 124.6 | 26% | 0.257 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -61.8 | -34.1 | 178.2 | -77.8 | -73.1 | -15.1 | 0 | 0 | 113.4 | Y864 R872 | Y864-Q868 HydrophobicContact CD1-CG 4.27Å; Y864-Q868 HydrophobicContact CE1-CG 3.95Å; Y864-Q868 HydrophobicContact CE2-CG 4.35Å; Y864-Q868 WeakPolarHBondContact O-CB 3.28Å; Y864-Q868 WeakPolarHBondContact O-CG 3.46Å; Y864-Q868 PolarHBondContact O-N 2.7Å; Y864-Q868 PolarHBondContact OH-NE2 3.13Å; Q868-R872 WeakPolarHBondContact O-CG 3.33Å; Q868-R872 PolarHBondContact O-N 3.1Å |
| 869 | S | 67.5 | Low | 58.9 | Low | 59 Ų | 59 | 124 Ų | 124 | 41% | 0.413 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -72.4 | -43.8 | 175.2 | 47.3 | 0 | 0 | 0 | 0 | 112.3 | S865 R866 V867 L871 R872 T873 | S865-S869 WeakPolarHBondContact O-CB 3.38Å; S865-S869 PolarHBondContact O-N 3.41Å; S865-S869 PolarHBondContact O-OG 3.39Å; R866-S869 WeakPolarHBondContact CA-OG 3.5Å; R866-S869 PolarHBondContact O-OG 3.23Å; V867-S869 VanDerWaalsContact C-N 3.31Å; V867-S869 PolarHBondContact O-N 3.35Å; S869-L871 PolarHBondContact O-N 2.86Å; S869-R872 PolarHBondContact O-N 2.87Å; S869-R872 VanDerWaalsContact O-N 3.1Å; S869-T873 PolarHBondContact O-N 3.34Å; S869-T873 PolarHBondContact O-OG1 3.22Å |
| 870 | Q | 60.6 | Low | 57.8 | Low | 112 Ų | 112 | 122.3 Ų | 122.3 | 52% | 0.523 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -61 | -41.7 | 175.8 | -72.1 | 176.3 | 16.1 | 0 | 0 | 112.8 | R866 V867 R872 T873 N874 | R866-Q870 VanDerWaalsContact O-CG 3.32Å; R866-Q870 WeakPolarHBondContact O-CG 3.47Å; R866-Q870 PolarHBondContact O-N 3.34Å; V867-Q870 PolarHBondContact O-N 3.39Å; Q870-R872 PolarHBondContact O-N 3.03Å; Q870-T873 WeakPolarHBondContact CA-OG1 3.45Å; Q870-T873 PolarHBondContact O-N 3.22Å; Q870-T873 PolarHBondContact O-OG1 3.07Å; Q870-N874 PolarHBondContact O-N 3.5Å; Q870-N874 PolarHBondContact O-OD1 3.45Å |
| 871 | L | 53.6 | Low | 56.7 | Low | 113 Ų | 113 | 123.7 Ų | 123.7 | 59% | 0.592 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -62.3 | -31 | 174.7 | -72.9 | 168.7 | 0 | 0 | 0 | 112.8 | V867 S869 | V867-L871 HydrophobicContact CG1-CD1 3.93Å; V867-L871 WeakPolarHBondContact O-CG 3.29Å; V867-L871 PolarHBondContact O-N 3.46Å; S869-L871 PolarHBondContact O-N 2.86Å |
| 872 | R | 53.8 | Low | 55.4 | Low | 189 Ų | 189 | 130.1 Ų | 130.1 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -82.9 | -29 | 177.9 | -75.2 | 173.7 | 173.8 | 147.7 | 1.1 | 113.5 | Q868 S869 Q870 | Q868-R872 WeakPolarHBondContact O-CG 3.33Å; Q868-R872 PolarHBondContact O-N 3.1Å; S869-R872 PolarHBondContact O-N 2.87Å; S869-R872 VanDerWaalsContact O-N 3.1Å; Q870-R872 PolarHBondContact O-N 3.03Å |
| 873 | T | 54.3 | Low | 54 | Low | 91 Ų | 91 | 131.8 Ų | 131.8 | 56% | 0.558 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -76.3 | -34.9 | 176.8 | 49.4 | 0 | 0 | 0 | 0 | 113.1 | S869 Q870 R875 R876 | S869-T873 PolarHBondContact O-N 3.34Å; S869-T873 PolarHBondContact O-OG1 3.22Å; Q870-T873 WeakPolarHBondContact CA-OG1 3.45Å; Q870-T873 PolarHBondContact O-N 3.22Å; Q870-T873 PolarHBondContact O-OG1 3.07Å; T873-R875 PolarHBondContact O-N 3.4Å; T873-R875 VanDerWaalsContact O-N 3.15Å; T873-R876 PolarHBondContact O-N 3.02Å |
| 874 | N | 45.4 | Very low | 52.7 | Low | 139 Ų | 139 | 131.7 Ų | 131.7 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | -8.4 | -171.4 | -72.9 | 8.3 | 0 | 0 | 0 | 115.1 | Q870 | Q870-N874 PolarHBondContact O-N 3.5Å; Q870-N874 PolarHBondContact O-OD1 3.45Å |
| 875 | R | 44.8 | Very low | 51.5 | Low | 236 Ų | 236 | 130 Ų | 130 | 89% | 0.891 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | 16.7 | 174.4 | -68.1 | -167 | 176.2 | -159.1 | -1 | 114.1 | T873 | T873-R875 PolarHBondContact O-N 3.4Å; T873-R875 VanDerWaalsContact O-N 3.15Å |
| 876 | R | 35.1 | Very low | 50.1 | Low | 229 Ų | 229 | 132.5 Ų | 132.5 | 86% | 0.864 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -150.7 | 47.3 | -170.7 | -133.7 | 174.2 | -165.3 | -109.6 | 3.1 | 117.8 | T873 | T873-R876 PolarHBondContact O-N 3.02Š|
| 877 | S | 40.3 | Very low | 48.4 | Very low | 109 Ų | 109 | 130.4 Ų | 130.4 | 76% | 0.762 | 70% | 0.7 | S | S | * | * | trans | -149.9 | 118.6 | 159.8 | -167.4 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 878 | S | 35.9 | Very low | 47.1 | Very low | 123 Ų | 123 | 135.9 Ų | 135.9 | 86% | 0.86 | 72% | 0.721 | S | S | * | * | trans | -135.4 | 44.8 | 167.9 | 56.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 879 | V | 47.6 | Very low | 45.8 | Very low | 115 Ų | 115 | 138.5 Ų | 138.5 | 70% | 0.697 | 75% | 0.745 | S | S | * | * | trans | -131.9 | 121 | 178.2 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 880 | P | 43.1 | Very low | 44.4 | Very low | 112 Ų | 112 | 144.2 Ų | 144.2 | 73% | 0.727 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 141 | 178 | 29.2 | -34 | 0 | 0 | 0 | 111.1 | ||
| 881 | P | 42.8 | Very low | 43.5 | Very low | 125 Ų | 125 | 143.3 Ų | 143.3 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 133.5 | 178.9 | 28.7 | -34 | 0 | 0 | 0 | 111.1 | ||
| 882 | R | 40.1 | Very low | 42.7 | Very low | 247 Ų | 247 | 145.7 Ų | 145.7 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 134 | 169.1 | -73.5 | -177.7 | 172.5 | -124 | -0.3 | 110 | ||
| 883 | T | 43.9 | Very low | 41.8 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 82% | 0.816 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 136.4 | 175.8 | 38.1 | 0 | 0 | 0 | 0 | 111.8 | ||
| 884 | P | 46.4 | Very low | 41 | Very low | 114 Ų | 114 | 145.5 Ų | 145.5 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 155.2 | 171.9 | 34 | -34.3 | 0 | 0 | 0 | 111.8 | ||
| 885 | P | 42.4 | Very low | 40.6 | Very low | 115 Ų | 115 | 147.3 Ų | 147.3 | 75% | 0.747 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.6 | 156.9 | 172.7 | 32.7 | -35.4 | 0 | 0 | 0 | 112.2 | ||
| 886 | P | 43.7 | Very low | 40.3 | Very low | 120 Ų | 120 | 141.9 Ų | 141.9 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 145.5 | -179.6 | 31.1 | -35.4 | 0 | 0 | 0 | 112.8 | ||
| 887 | P | 38.4 | Very low | 40.4 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 150 | -179.8 | 34.4 | -35.1 | 0 | 0 | 0 | 113.1 | ||
| 888 | Q | 42.4 | Very low | 40 | Very low | 190 Ų | 190 | 140.3 Ų | 140.3 | 89% | 0.888 | 79% | 0.785 | S | S | * | * | trans | -109.9 | 127.4 | 169 | -72.8 | -174.9 | -19.7 | 0 | 0 | 111.6 | ||||
| 889 | S | 40.5 | Very low | 40 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | 3.2 | 116.3 | 159.6 | 50.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 890 | Q | 37.5 | Very low | 39.2 | Very low | 180 Ų | 180 | 143.7 Ų | 143.7 | 84% | 0.841 | 79% | 0.788 | S | S | * | * | 50.5 | 156 | 71.1 | -96.4 | -163.2 | 30.8 | 0 | 0 | 116.1 | |||||
| 891 | P | 42.3 | Very low | 38.8 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 60% | 0.597 | 80% | 0.797 | S | S | * | * | cis | -142.4 | -160.8 | -7.5 | 29.9 | -4.2 | 0 | 0 | 0 | 114.9 | ||||
| 892 | Q | 36.1 | Very low | 38.2 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | 77.6 | 144.1 | 159.5 | -54.5 | -89 | -13.2 | 0 | 0 | 116.7 | ||||
| 893 | N | 36 | Very low | 38.1 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | cis | -169.6 | 178.4 | -23.3 | -143 | -14.9 | 0 | 0 | 0 | 106 | ||||
| 894 | I | 37 | Very low | 37.6 | Very low | 148 Ų | 148 | 151.7 Ų | 151.7 | 76% | 0.759 | 80% | 0.796 | S | S | * | * | cis | -139.4 | 178.9 | 16.1 | -57.7 | 176.8 | 0 | 0 | 0 | 109.8 | ||||
| 895 | Q | 37.3 | Very low | 37 | Very low | 176 Ų | 176 | 152.1 Ų | 152.1 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -55.3 | 168.9 | -178.2 | -65.1 | 173.8 | -2.5 | 0 | 0 | 120 | ||||
| 896 | P | 38.3 | Very low | 36.6 | Very low | 122 Ų | 122 | 152.8 Ų | 152.8 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -103.6 | 174.5 | -177.9 | 41.5 | -36.6 | 0 | 0 | 0 | 115.1 | ||||
| 897 | N | 37.3 | Very low | 36.3 | Very low | 160 Ų | 160 | 151.3 Ų | 151.3 | 86% | 0.856 | 80% | 0.796 | S | S | * | * | trans | -156.5 | 165.6 | 155.6 | -138.6 | -29.4 | 0 | 0 | 0 | 114.5 | ||||
| 898 | N | 30.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 151 Ų | 151 | 78% | 0.775 | 79% | 0.794 | S | S | * | * | trans | -76 | 159.7 | -178.3 | -84.9 | -57.1 | 0 | 0 | 0 | 114.6 | ||||
| 899 | V | 36.4 | Very low | 35.9 | Very low | 134 Ų | 134 | 149 Ų | 149 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | -174.3 | 150.4 | 121.2 | 144.5 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 900 | Q | 29.7 | Very low | 35.6 | Very low | 175 Ų | 175 | 149 Ų | 149 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -80.2 | 153.9 | -176.7 | -54.2 | 159.3 | -56.3 | 0 | 0 | 113.3 | ||||
| 901 | Y | 36 | Very low | 35.6 | Very low | 229 Ų | 229 | 148.4 Ų | 148.4 | 90% | 0.898 | 78% | 0.782 | S | S | * | * | trans | -148.5 | 143.9 | 146.5 | -93.8 | -70.6 | 0 | 0 | 0 | 112.2 | ||||
| 902 | Q | 30.3 | Very low | 35.1 | Very low | 180 Ų | 180 | 152.3 Ų | 152.3 | 84% | 0.841 | 79% | 0.792 | S | S | * | * | trans | -114.4 | 148.3 | 177.9 | -72.2 | -179 | -29.3 | 0 | 0 | 112.3 | ||||
| 903 | K | 37.4 | Very low | 35 | Very low | 198 Ų | 198 | 155.9 Ų | 155.9 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | -177.6 | 129.5 | 155 | -104.5 | 158.3 | -173.9 | 179.4 | 0 | 106.8 | ||||
| 904 | Q | 33.1 | Very low | 34.7 | Very low | 179 Ų | 179 | 158.5 Ų | 158.5 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | 55.5 | 131.1 | 52.3 | -61.9 | -169.9 | -2.8 | 0 | 0 | 112 | |||||
| 905 | T | 34 | Very low | 34.5 | Very low | 122 Ų | 122 | 155.5 Ų | 155.5 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | cis | -139.2 | -177.9 | 20.6 | 60.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 906 | T | 34.8 | Very low | 34.4 | Very low | 130 Ų | 130 | 155.9 Ų | 155.9 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | cis | -162.2 | 173.4 | -6.1 | 2.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 907 | A | 36.8 | Very low | 34 | Very low | 88 Ų | 88 | 157.9 Ų | 157.9 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | trans | -123.1 | 155.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 908 | P | 38.3 | Very low | 33.8 | Very low | 122 Ų | 122 | 157.3 Ų | 157.3 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | -143.9 | 173.3 | 106.5 | 27.4 | -6.6 | 0 | 0 | 0 | 112.9 | |||||
| 909 | N | 34.5 | Very low | 33.8 | Very low | 148 Ų | 148 | 157.1 Ų | 157.1 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | cis | 112.3 | 131.7 | 5.6 | -163.8 | 30 | 0 | 0 | 0 | 116.2 | ||||
| 910 | T | 33.3 | Very low | 33.9 | Very low | 109 Ų | 109 | 157.6 Ų | 157.6 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | 90.5 | 150.1 | 158.3 | -14.1 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 911 | Q | 37.3 | Very low | 34.2 | Very low | 167 Ų | 167 | 156.1 Ų | 156.1 | 78% | 0.78 | 78% | 0.78 | S | S | * | * | trans | 86.2 | 108.6 | 166.4 | -55 | -177.1 | 44.2 | 0 | 0 | 116.3 | ||||
| 912 | Q | 32.1 | Very low | 34.2 | Very low | 174 Ų | 174 | 150.8 Ų | 150.8 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | 76.3 | 114 | 63.2 | -78.1 | -168.6 | -28.9 | 0 | 0 | 115 | |||||
| 913 | Y | 34.2 | Very low | 34.5 | Very low | 239 Ų | 239 | 152.3 Ų | 152.3 | 94% | 0.937 | 77% | 0.771 | S | S | * | * | -167 | 168 | 126.4 | -112 | -75.3 | 0 | 0 | 0 | 110.6 | |||||
| 914 | Q | 29.7 | Very low | 34.6 | Very low | 183 Ų | 183 | 150.9 Ų | 150.9 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -127.7 | 158 | -175.5 | -73.4 | -175.9 | -21.6 | 0 | 0 | 113.4 | ||||
| 915 | A | 32.7 | Very low | 35 | Very low | 85 Ų | 85 | 147.9 Ų | 147.9 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 81 | 160.3 | 149.3 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 916 | Q | 34.6 | Very low | 35.7 | Very low | 185 Ų | 185 | 148 Ų | 148 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | 71.3 | 111.1 | 174.1 | -50.6 | -178.9 | 44.9 | 0 | 0 | 114.2 | ||||
| 917 | Q | 31.3 | Very low | 35.8 | Very low | 164 Ų | 164 | 146.3 Ų | 146.3 | 77% | 0.766 | 77% | 0.765 | S | S | * | * | 86.7 | 132 | 52.9 | -76.2 | -161.5 | 15.5 | 0 | 0 | 115.2 | |||||
| 918 | H | 33.4 | Very low | 36.4 | Very low | 147 Ų | 147 | 150.2 Ų | 150.2 | 68% | 0.681 | 77% | 0.77 | S | S | * | * | trans | 76 | 114 | 160.7 | -68 | 119.6 | 0 | 0 | 0 | 121.8 | ||||
| 919 | Q | 30.4 | Very low | 36.4 | Very low | 141 Ų | 141 | 152.2 Ų | 152.2 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | 86.9 | 127.5 | 124 | -75.2 | -172.2 | 53.6 | 0 | 0 | 122.7 | |||||
| 920 | Q | 37.3 | Very low | 36.4 | Very low | 145 Ų | 145 | 154.4 Ų | 154.4 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | 68 | 152.2 | 147.5 | -62.1 | -174.9 | 62.4 | 0 | 0 | 117.7 | ||||
| 921 | Q | 36.7 | Very low | 36.8 | Very low | 144 Ų | 144 | 154.4 Ų | 154.4 | 67% | 0.673 | 77% | 0.773 | S | S | * | * | cis | -149.9 | 131.2 | -17.1 | -117.9 | -167.2 | 80.3 | 0 | 0 | 107.6 | ||||
| 922 | N | 36.3 | Very low | 37.2 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | 67.4 | 119.2 | 103.2 | -175 | 30.5 | 0 | 0 | 0 | 117.2 | |||||
| 923 | F | 36.4 | Very low | 37.5 | Very low | 212 Ų | 212 | 149.5 Ų | 149.5 | 93% | 0.93 | 77% | 0.769 | S | S | * | * | trans | -160.1 | 140.8 | 140.9 | -105.1 | -67.8 | 0 | 0 | 0 | 111.5 | ||||
| 924 | Q | 38.5 | Very low | 37.5 | Very low | 168 Ų | 168 | 149.8 Ų | 149.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -159.3 | 153.4 | -175.7 | -168.3 | -170.6 | 46.4 | 0 | 0 | 109.9 | ||||
| 925 | P | 42.6 | Very low | 37.9 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | -148.4 | 177.7 | 141.8 | 40.5 | -25.5 | 0 | 0 | 0 | 114 | ||||
| 926 | P | 49.2 | Very low | 38 | Very low | 125 Ų | 125 | 150.2 Ų | 150.2 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | -132.1 | -175.5 | -52.6 | 39.7 | -24.1 | 0 | 0 | 0 | 112.4 | |||||
| 927 | A | 36.5 | Very low | 38.2 | Very low | 93 Ų | 93 | 151 Ų | 151 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | trans | -152.3 | 164 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 928 | M | 48.3 | Very low | 38.4 | Very low | 170 Ų | 170 | 151.7 Ų | 151.7 | 84% | 0.837 | 77% | 0.769 | S | S | * | * | trans | -139.6 | 110.7 | 168.4 | -63.1 | -176.3 | 78 | 0 | 0 | 109.2 | ||||
| 929 | Q | 39.2 | Very low | 38.8 | Very low | 164 Ų | 164 | 149.1 Ų | 149.1 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | 67.1 | 108.4 | 93.7 | -67.8 | -173.9 | 64.7 | 0 | 0 | 114 | |||||
| 930 | K | 34.3 | Very low | 39.5 | Very low | 195 Ų | 195 | 148.3 Ų | 148.3 | 85% | 0.848 | 78% | 0.779 | S | S | * | * | 100.3 | 161.3 | 62 | -104.3 | -168.9 | 174.2 | -178.1 | 0 | 111.3 | |||||
| 931 | P | 42.5 | Very low | 39.9 | Very low | 108 Ų | 108 | 148.9 Ų | 148.9 | 70% | 0.701 | 79% | 0.785 | S | S | * | * | cis | -125.8 | 174.3 | -26.7 | 30 | -8.5 | 0 | 0 | 0 | 112.6 | ||||
| 932 | T | 44.5 | Very low | 41 | Very low | 122 Ų | 122 | 147.2 Ų | 147.2 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | 161.5 | 150.3 | 89.6 | -54.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 933 | P | 38.6 | Very low | 42.2 | Very low | 117 Ų | 117 | 147.3 Ų | 147.3 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | trans | -111.8 | 169.6 | -166.9 | 41.3 | -35.1 | 0 | 0 | 0 | 117.5 | ||||
| 934 | R | 34.7 | Very low | 43.2 | Very low | 245 Ų | 245 | 142.6 Ų | 142.6 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -147.4 | 166.4 | 159.5 | -99.7 | -158 | 176.4 | -130.9 | -3.8 | 111.6 | ||||
| 935 | P | 38.6 | Very low | 43.8 | Very low | 98 Ų | 98 | 140.7 Ų | 140.7 | 64% | 0.636 | 79% | 0.787 | S | S | * | * | trans | -111.1 | 169.2 | -131.6 | 41.5 | -38.1 | 0 | 0 | 0 | 117 | ||||
| 936 | Q | 34.2 | Very low | 43.6 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -71.8 | 148.3 | 163.9 | -65.2 | 168.5 | -39 | 0 | 0 | 111.2 | ||||
| 937 | F | 38.1 | Very low | 43.1 | Very low | 201 Ų | 201 | 147.2 Ų | 147.2 | 88% | 0.882 | 80% | 0.797 | S | S | * | * | trans | -113 | 122.9 | 158.9 | -93.4 | -90.4 | 0 | 0 | 0 | 108.8 | ||||
| 938 | Q | 35.9 | Very low | 43.1 | Very low | 180 Ų | 180 | 151.4 Ų | 151.4 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 130.5 | 164.5 | -70.1 | 176.5 | -57.3 | 0 | 0 | 108 | ||
| 939 | A | 42.8 | Very low | 42.6 | Very low | 92 Ų | 92 | 152.3 Ų | 152.3 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 142.2 | 164.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||
| 940 | P | 45.2 | Very low | 43 | Very low | 124 Ų | 124 | 149.7 Ų | 149.7 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 132.8 | -174.2 | 31.6 | -33.8 | 0 | 0 | 0 | 112.4 | ||
| 941 | I | 45 | Very low | 43.1 | Very low | 157 Ų | 157 | 147.3 Ų | 147.3 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 129.1 | 168.7 | -60.2 | 171.3 | 0 | 0 | 0 | 108.4 | ||
| 942 | P | 59.3 | Low | 42.8 | Very low | 110 Ų | 110 | 147.7 Ų | 147.7 | 71% | 0.714 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 143.9 | 175.5 | 29.3 | -34.1 | 0 | 0 | 0 | 111.6 | ||
| 943 | P | 60.9 | Low | 42.5 | Very low | 118 Ų | 118 | 147.1 Ų | 147.1 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 149.9 | -177.8 | 32.6 | -35.4 | 0 | 0 | 0 | 112.7 | ||
| 944 | P | 58.3 | Low | 42.3 | Very low | 113 Ų | 113 | 148 Ų | 148 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71 | 153.2 | 174.6 | 30.4 | -35.5 | 0 | 0 | 0 | 112.2 | Q946 | P944-Q946 PolarHBondContact O-N 2.88Š|
| 945 | P | 51.9 | Low | 42.4 | Very low | 128 Ų | 128 | 142.5 Ų | 142.5 | 83% | 0.831 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 128.1 | -178.4 | -20.1 | 32.8 | 0 | 0 | 0 | 113 | ||
| 946 | Q | 37 | Very low | 42.2 | Very low | 183 Ų | 183 | 148.1 Ų | 148.1 | 86% | 0.855 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 119.1 | 168.9 | -65.4 | -179 | 1.6 | 0 | 0 | 110.2 | P944 | P944-Q946 PolarHBondContact O-N 2.88Š|
| 947 | Q | 39.1 | Very low | 42.3 | Very low | 196 Ų | 196 | 146.4 Ų | 146.4 | 92% | 0.916 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -100.1 | 143.3 | 156.3 | -72.3 | -163.8 | 3.4 | 0 | 0 | 110.2 | ||
| 948 | Q | 36.4 | Very low | 42 | Very low | 181 Ų | 181 | 143.7 Ų | 143.7 | 85% | 0.846 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -94.8 | 130.9 | -160.4 | -61.7 | 168.9 | 4.7 | 0 | 0 | 111.6 | ||
| 949 | Q | 37.1 | Very low | 42.1 | Very low | 189 Ų | 189 | 140 Ų | 140 | 88% | 0.883 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 127.1 | 156.3 | -70.9 | -172.7 | 4.3 | 0 | 0 | 109.5 | ||
| 950 | P | 47.6 | Very low | 41.7 | Very low | 109 Ų | 109 | 141.1 Ų | 141.1 | 71% | 0.708 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -83.6 | 123.9 | 160.5 | 31.9 | -29.1 | 0 | 0 | 0 | 110.4 | ||
| 951 | N | 36.6 | Very low | 41.6 | Very low | 144 Ų | 144 | 140.3 Ų | 140.3 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | 52.8 | 134.9 | 128.6 | -62.5 | -16 | 0 | 0 | 0 | 119.8 | |||||
| 952 | T | 37.6 | Very low | 41.2 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | cis | -168.3 | 163.5 | 11.9 | 1.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 953 | T | 37 | Very low | 40.2 | Very low | 111 Ų | 111 | 143.8 Ų | 143.8 | 68% | 0.681 | 79% | 0.794 | S | S | * | * | trans | 55.3 | 101.5 | 143.7 | -52.9 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 954 | V | 34.5 | Very low | 39 | Very low | 136 Ų | 136 | 149.1 Ų | 149.1 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | 84.2 | 154.7 | 59.4 | 179.6 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 955 | V | 37.7 | Very low | 38.3 | Very low | 128 Ų | 128 | 148.2 Ų | 148.2 | 78% | 0.776 | 79% | 0.792 | S | S | * | * | trans | 95.3 | 74.7 | 176.1 | -161.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 956 | R | 34.3 | Very low | 37.7 | Very low | 217 Ų | 217 | 148.1 Ų | 148.1 | 82% | 0.819 | 79% | 0.785 | S | S | * | * | trans | -35.9 | 135 | 144.9 | -179 | -151.4 | -65.6 | -157.3 | 0 | 113.9 | ||||
| 957 | L | 35.1 | Very low | 38.3 | Very low | 141 Ų | 141 | 147.1 Ų | 147.1 | 74% | 0.738 | 78% | 0.78 | S | S | * | * | 170.7 | 143.3 | 122.2 | -90.7 | 167.5 | 0 | 0 | 0 | 116 | |||||
| 958 | N | 32.9 | Very low | 38.6 | Very low | 145 Ų | 145 | 142.9 Ų | 142.9 | 78% | 0.775 | 77% | 0.77 | S | S | * | * | trans | -1 | 133.4 | 159.9 | -52.9 | -6 | 0 | 0 | 0 | 121.8 | ||||
| 959 | A | 37.8 | Very low | 38.7 | Very low | 102 Ų | 102 | 139.5 Ų | 139.5 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | 160.9 | 152.3 | 117.9 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 960 | S | 34.3 | Very low | 39.7 | Very low | 116 Ų | 116 | 136.7 Ų | 136.7 | 81% | 0.811 | 76% | 0.764 | S | S | * | * | trans | -117.5 | -179.2 | 173.8 | -35.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 961 | P | 44 | Very low | 39.5 | Very low | 106 Ų | 106 | 136.6 Ų | 136.6 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | cis | -136.1 | -166.3 | -8.1 | 40.8 | -22 | 0 | 0 | 0 | 114.2 | ||||
| 962 | N | 35.8 | Very low | 39.7 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 74% | 0.743 | 76% | 0.763 | S | S | * | * | trans | 63.3 | 107.9 | 151.1 | -68.8 | -12 | 0 | 0 | 0 | 121.1 | ||||
| 963 | Q | 38.2 | Very low | 39.7 | Very low | 202 Ų | 202 | 139.3 Ų | 139.3 | 94% | 0.944 | 77% | 0.767 | S | S | * | * | -171.8 | 175.2 | 100 | -100.5 | 168 | 73.3 | 0 | 0 | 113.8 | |||||
| 964 | R | 36 | Very low | 39.5 | Very low | 230 Ų | 230 | 142.2 Ų | 142.2 | 87% | 0.868 | 78% | 0.775 | S | S | * | * | trans | -111.7 | -173.1 | -174.8 | -115.2 | -165.7 | -167.9 | -154.3 | 6.8 | 109.6 | ||||
| 965 | P | 43.3 | Very low | 39.7 | Very low | 94 Ų | 94 | 144 Ų | 144 | 61% | 0.61 | 78% | 0.779 | S | S | * | * | cis | -142.9 | -173.3 | 17.2 | 47 | -28.1 | 0 | 0 | 0 | 117.4 | ||||
| 966 | D | 40 | Very low | 39.8 | Very low | 125 Ų | 125 | 145.8 Ų | 145.8 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | 57.4 | 158.8 | 146.1 | -60.1 | -22.6 | 0 | 0 | 0 | 121.7 | ||||
| 967 | Q | 48.8 | Very low | 40.2 | Very low | 163 Ų | 163 | 140.3 Ų | 140.3 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | cis | -167 | -168.3 | -17.8 | -113.2 | -158.9 | 16.5 | 0 | 0 | 107.6 | ||||
| 968 | P | 45.8 | Very low | 40.2 | Very low | 107 Ų | 107 | 141.8 Ų | 141.8 | 70% | 0.695 | 78% | 0.779 | S | S | * | * | -127.9 | -173.1 | -52.5 | 38.5 | -21.8 | 0 | 0 | 0 | 113 | |||||
| 969 | S | 37.4 | Very low | 40.1 | Very low | 110 Ų | 110 | 140.2 Ų | 140.2 | 77% | 0.769 | 78% | 0.775 | S | S | * | * | trans | -113.2 | 153.9 | 169.4 | -53.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 970 | P | 58 | Low | 40.1 | Very low | 129 Ų | 129 | 143.4 Ų | 143.4 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | trans | -85.3 | 158 | 175.8 | 34.3 | -35 | 0 | 0 | 0 | 114.1 | ||||
| 971 | P | 43.7 | Very low | 40.4 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 77% | 0.771 | S | S | * | * | trans | -136.8 | -166.5 | -160.1 | 34.1 | -9.8 | 0 | 0 | 0 | 116.5 | ||||
| 972 | I | 40.8 | Very low | 40.7 | Very low | 148 Ų | 148 | 143.4 Ų | 143.4 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | trans | 65.6 | 151.6 | 165.1 | 8.6 | 179.4 | 0 | 0 | 0 | 116.4 | ||||
| 973 | Q | 37.7 | Very low | 41.1 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -136.9 | 137.2 | 7 | -53.6 | 174.4 | 2.9 | 0 | 0 | 108.5 | ||||
| 974 | M | 33.4 | Very low | 41.1 | Very low | 171 Ų | 171 | 137.2 Ų | 137.2 | 84% | 0.842 | 78% | 0.775 | S | S | * | * | 54.9 | 111.9 | 71.8 | -82.8 | -147.6 | -179.7 | 0 | 0 | 117.5 | |||||
| 975 | L | 39.4 | Very low | 41 | Very low | 175 Ų | 175 | 135.1 Ų | 135.1 | 92% | 0.916 | 78% | 0.775 | S | S | * | * | trans | -161.8 | 159.2 | 138.6 | -107.5 | 166 | 0 | 0 | 0 | 110.5 | ||||
| 976 | Q | 40.1 | Very low | 40.6 | Very low | 165 Ų | 165 | 136.8 Ų | 136.8 | 77% | 0.771 | 78% | 0.783 | S | S | * | * | trans | -131.4 | -161.4 | -173.7 | -65 | -174.7 | -0.8 | 0 | 0 | 109.8 | ||||
| 977 | P | 41.8 | Very low | 40.5 | Very low | 102 Ų | 102 | 139.6 Ų | 139.6 | 66% | 0.662 | 79% | 0.793 | S | S | * | * | -120.1 | -168.5 | -72.4 | 35.8 | -20.8 | 0 | 0 | 0 | 110.6 | |||||
| 978 | L | 34 | Very low | 39.6 | Very low | 171 Ų | 171 | 138 Ų | 138 | 90% | 0.895 | 79% | 0.794 | S | S | * | * | trans | -160.3 | 154.9 | 139.7 | -112.4 | 170.9 | 0 | 0 | 0 | 112 | ||||
| 979 | T | 30.9 | Very low | 39.3 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 69% | 0.693 | 80% | 0.801 | S | S | * | * | trans | -139.2 | 130.8 | -166 | -32.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 980 | I | 38.7 | Very low | 39.2 | Very low | 168 Ų | 168 | 140.2 Ų | 140.2 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -138.4 | 147.8 | 167.6 | -61.3 | -175.1 | 0 | 0 | 0 | 109.3 | ||||
| 981 | S | 39.7 | Very low | 38.2 | Very low | 102 Ų | 102 | 143.2 Ų | 143.2 | 71% | 0.713 | 81% | 0.806 | S | S | * | * | trans | -113.4 | 164 | -161.2 | -60.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 982 | P | 51.9 | Low | 37.9 | Very low | 120 Ų | 120 | 143 Ų | 143 | 78% | 0.779 | 81% | 0.807 | S | S | * | * | trans | -89 | -177.9 | 179.2 | 40.3 | -38.7 | 0 | 0 | 0 | 112.4 | ||||
| 983 | P | 43.9 | Very low | 37.8 | Very low | 134 Ų | 134 | 142.1 Ų | 142.1 | 87% | 0.87 | 81% | 0.811 | S | S | * | * | -151.3 | 177.1 | 93.4 | 40.8 | -23.7 | 0 | 0 | 0 | 115.7 | |||||
| 984 | G | 37.5 | Very low | 37.9 | Very low | 78 Ų | 78 | 145.7 Ų | 145.7 | 80% | 0.804 | 82% | 0.817 | S | S | * | * | trans | 162.5 | 99.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 985 | Q | 33.2 | Very low | 38.1 | Very low | 186 Ų | 186 | 145.3 Ų | 145.3 | 87% | 0.869 | 82% | 0.818 | S | S | * | * | trans | -116.7 | 138.8 | 178.1 | -61.8 | 176.9 | 0.4 | 0 | 0 | 111.7 | ||||
| 986 | T | 35.3 | Very low | 38.3 | Very low | 129 Ų | 129 | 143.3 Ų | 143.3 | 79% | 0.791 | 81% | 0.813 | S | S | * | * | trans | -158.5 | 107.4 | 140.6 | 5.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 987 | Q | 37.4 | Very low | 38.8 | Very low | 184 Ų | 184 | 140.7 Ų | 140.7 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | trans | 48.6 | 126.8 | 135.5 | -58.7 | 177.6 | 25.8 | 0 | 0 | 121.8 | ||||
| 988 | T | 31.4 | Very low | 39.2 | Very low | 130 Ų | 130 | 141.9 Ų | 141.9 | 80% | 0.798 | 82% | 0.818 | S | S | * | * | trans | -86.4 | 167 | 163.7 | 56.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 989 | P | 39 | Very low | 39.7 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 84% | 0.838 | 82% | 0.817 | S | S | * | * | -143.4 | 167.4 | 93.3 | 38.5 | -23.5 | 0 | 0 | 0 | 116.3 | |||||
| 990 | V | 34.6 | Very low | 40.4 | Very low | 134 Ų | 134 | 139.1 Ų | 139.1 | 81% | 0.812 | 82% | 0.824 | S | S | * | * | trans | -62.3 | 139.9 | -179.4 | 175.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 991 | E | 37.6 | Very low | 40.8 | Very low | 192 Ų | 192 | 139.8 Ų | 139.8 | 90% | 0.897 | 82% | 0.823 | S | S | * | * | trans | -146 | 163 | 140.2 | -142.7 | 172.1 | -159.9 | 0 | 0 | 111.6 | ||||
| 992 | S | 37.8 | Very low | 41.4 | Very low | 103 Ų | 103 | 141.1 Ų | 141.1 | 72% | 0.72 | 83% | 0.83 | S | S | * | * | trans | -85.8 | 152.4 | -158.6 | -64.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 993 | P | 38.4 | Very low | 41.6 | Very low | 130 Ų | 130 | 141.5 Ų | 141.5 | 84% | 0.844 | 83% | 0.83 | S | S | * | * | trans | -74.1 | 150.2 | -177.4 | 31 | -36.4 | 0 | 0 | 0 | 113.6 | ||||
| 994 | R | 39.9 | Very low | 42.5 | Very low | 243 Ų | 243 | 140.5 Ų | 140.5 | 92% | 0.917 | 82% | 0.823 | S | S | * | * | trans | -126.4 | 145.8 | 168 | -109.9 | -178.3 | 174.5 | -178.2 | -1 | 110.7 | ||||
| 995 | N | 37.3 | Very low | 43.8 | Very low | 163 Ų | 163 | 142.4 Ų | 142.4 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -56.4 | 140.1 | -170.2 | -63.7 | -15.8 | 0 | 0 | 0 | 114.5 | ||||
| 996 | V | 44.6 | Very low | 45.6 | Very low | 133 Ų | 133 | 139.1 Ų | 139.1 | 81% | 0.806 | 82% | 0.817 | S | S | * | * | trans | -131.5 | 125.4 | 154.4 | -176.6 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 997 | P | 49.9 | Very low | 47 | Very low | 110 Ų | 110 | 138.5 Ų | 138.5 | 71% | 0.714 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 152.6 | 179.6 | 33.6 | -34.4 | 0 | 0 | 0 | 112.2 | ||
| 998 | P | 51 | Low | 48.4 | Very low | 128 Ų | 128 | 135.4 Ų | 135.4 | 83% | 0.831 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 156.5 | 172.2 | 31.4 | -34.7 | 0 | 0 | 0 | 112.3 | ||
| 999 | S | 43.3 | Very low | 50.2 | Low | 124 Ų | 124 | 134.9 Ų | 134.9 | 87% | 0.867 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 148.8 | -170.2 | -49 | 0 | 0 | 0 | 0 | 114.5 | ||
| 1000 | A | 46.2 | Very low | 51.3 | Low | 102 Ų | 102 | 134.1 Ų | 134.1 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 147.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 1001 | Q | 48 | Very low | 52.5 | Low | 181 Ų | 181 | 133.9 Ų | 133.9 | 85% | 0.846 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 152.6 | 165.5 | -70.7 | 177.5 | -72.5 | 0 | 0 | 110.8 | ||
| 1002 | P | 51.3 | Low | 53.1 | Low | 130 Ų | 130 | 130.2 Ų | 130.2 | 84% | 0.844 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 134.8 | 173.4 | 30.3 | -34.2 | 0 | 0 | 0 | 111.1 | ||
| 1003 | T | 56.2 | Low | 53.4 | Low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 150.8 | 172.9 | 43.6 | 0 | 0 | 0 | 0 | 111.8 | ||
| 1004 | P | 62.6 | Low | 53.8 | Low | 112 Ų | 112 | 132.1 Ų | 132.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 152.1 | 170.8 | 30.5 | -34.8 | 0 | 0 | 0 | 111.3 | ||
| 1005 | P | 65.1 | Low | 53.9 | Low | 118 Ų | 118 | 126.7 Ų | 126.7 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 151.4 | 177.4 | 30.9 | -35.3 | 0 | 0 | 0 | 112.3 | ||
| 1006 | P | 69.8 | Low | 54.1 | Low | 118 Ų | 118 | 124 Ų | 124 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 156.9 | 177.6 | 31.4 | -35.9 | 0 | 0 | 0 | 112.7 | ||
| 1007 | P | 65.2 | Low | 53.8 | Low | 115 Ų | 115 | 121.9 Ų | 121.9 | 75% | 0.747 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 154.7 | 174.8 | 30.1 | -35.7 | 0 | 0 | 0 | 112.3 | ||
| 1008 | P | 67.7 | Low | 53.4 | Low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 149.9 | 178.8 | 29.8 | -35.4 | 0 | 0 | 0 | 112.4 | ||
| 1009 | P | 68.7 | Low | 52.6 | Low | 120 Ų | 120 | 126.2 Ų | 126.2 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 152 | 179.7 | 30.9 | -35.7 | 0 | 0 | 0 | 112.6 | ||
| 1010 | P | 62.8 | Low | 52.5 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 154.8 | 173.8 | 29.9 | -35.4 | 0 | 0 | 0 | 112 | S1012 | P1010-S1012 PolarHBondContact O-N 2.99Š|
| 1011 | P | 60.1 | Low | 52.1 | Low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 119.8 | -178.7 | 26.8 | -34.2 | 0 | 0 | 0 | 111.7 | M1013 | P1011-M1013 PolarHBondContact O-N 3.03Š|
| 1012 | S | 48.7 | Very low | 51.8 | Low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 117.1 | 179.3 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | P1010 A1014 | P1010-S1012 PolarHBondContact O-N 2.99Å; S1012-A1014 PolarHBondContact O-N 3.38Å |
| 1013 | M | 43.8 | Very low | 51.5 | Low | 184 Ų | 184 | 125.7 Ų | 125.7 | 91% | 0.906 | 79% | 0.789 | S | S | * | * | trans | -74.6 | 109.9 | 167.1 | -68.3 | -174.9 | 73.4 | 0 | 0 | 109.5 | P1011 | P1011-M1013 PolarHBondContact O-N 3.03Š| ||
| 1014 | A | 48.5 | Very low | 51.2 | Low | 89 Ų | 89 | 124.8 Ų | 124.8 | 74% | 0.736 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 128.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | S1012 A1016 | S1012-A1014 PolarHBondContact O-N 3.38Å; A1014-A1016 PolarHBondContact O-N 2.87Å | ||
| 1015 | P | 40.1 | Very low | 50.7 | Low | 129 Ų | 129 | 124.8 Ų | 124.8 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | trans | -82.6 | 103.4 | 173.7 | 31.7 | -32 | 0 | 0 | 0 | 110.7 | ||||
| 1016 | A | 43 | Very low | 49.6 | Very low | 107 Ų | 107 | 125.2 Ų | 125.2 | 88% | 0.884 | 79% | 0.788 | S | S | * | * | trans | -87.3 | 111.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1014 | A1014-A1016 PolarHBondContact O-N 2.87Š| ||
| 1017 | A | 37.8 | Very low | 48.2 | Very low | 89 Ų | 89 | 124.4 Ų | 124.4 | 74% | 0.736 | 79% | 0.786 | S | S | * | * | trans | -138.9 | 156.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1018 | Q | 40.9 | Very low | 47.1 | Very low | 183 Ų | 183 | 125.2 Ų | 125.2 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | 78 | 82.2 | 172.1 | -50.6 | -169.9 | 17 | 0 | 0 | 118.1 | ||||
| 1019 | N | 35.4 | Very low | 45.9 | Very low | 146 Ų | 146 | 125.9 Ų | 125.9 | 78% | 0.781 | 79% | 0.793 | S | S | * | * | 59.7 | 93.3 | 109 | -168.4 | 50.9 | 0 | 0 | 0 | 119.1 | |||||
| 1020 | V | 40.3 | Very low | 44.3 | Very low | 147 Ų | 147 | 127.7 Ų | 127.7 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -134 | 149.1 | 155.3 | -177.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1021 | T | 37.8 | Very low | 43.2 | Very low | 103 Ų | 103 | 129.8 Ų | 129.8 | 63% | 0.632 | 80% | 0.797 | S | S | * | * | trans | -124.7 | 157.5 | -154.6 | -32 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1022 | L | 42 | Very low | 42.1 | Very low | 155 Ų | 155 | 128.5 Ų | 128.5 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | 81.4 | 155.8 | 164.9 | -53.7 | 174.9 | 0 | 0 | 0 | 117.6 | ||||
| 1023 | P | 44.3 | Very low | 42.3 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -126.4 | 163.9 | -9.6 | 36.2 | -20.1 | 0 | 0 | 0 | 116 | ||||
| 1024 | P | 51.6 | Low | 42.5 | Very low | 110 Ų | 110 | 124.7 Ų | 124.7 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | trans | -114.8 | -163.6 | 169.7 | 44.1 | -34.6 | 0 | 0 | 0 | 112.2 | ||||
| 1025 | P | 50.5 | Low | 41.9 | Very low | 112 Ų | 112 | 127.3 Ų | 127.3 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | cis | -113.5 | -140.5 | -39.1 | 29.6 | -6.4 | 0 | 0 | 0 | 109.4 | ||||
| 1026 | P | 43.7 | Very low | 41.9 | Very low | 128 Ų | 128 | 126.3 Ų | 126.3 | 83% | 0.831 | 77% | 0.768 | S | S | * | * | -140.3 | -176.5 | 57 | 38.5 | -17.4 | 0 | 0 | 0 | 115.5 | |||||
| 1027 | S | 40 | Very low | 41.6 | Very low | 101 Ų | 101 | 127.5 Ų | 127.5 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -115.2 | 148.9 | -170.6 | -48.7 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1028 | T | 41.2 | Very low | 41.6 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | 25.5 | 138.3 | 144.6 | 60.3 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1029 | P | 42.9 | Very low | 41.7 | Very low | 134 Ų | 134 | 124.1 Ų | 124.1 | 87% | 0.87 | 75% | 0.751 | S | S | * | * | -139.7 | -169.7 | 102.9 | 40.5 | -29.1 | 0 | 0 | 0 | 115.5 | |||||
| 1030 | L | 35.9 | Very low | 41.9 | Very low | 157 Ų | 157 | 128.6 Ų | 128.6 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -92.8 | 171.2 | -162.6 | -125.8 | 72.1 | 0 | 0 | 0 | 115.6 | ||||
| 1031 | M | 37.9 | Very low | 42 | Very low | 158 Ų | 158 | 127.7 Ų | 127.7 | 78% | 0.778 | 77% | 0.77 | S | S | * | * | trans | 84.8 | 110.3 | 148.9 | -78.6 | 169.9 | 67.9 | 0 | 0 | 122.3 | ||||
| 1032 | S | 38.1 | Very low | 42.2 | Very low | 100 Ų | 100 | 129 Ų | 129 | 70% | 0.699 | 78% | 0.777 | S | S | * | * | 93 | 129.7 | 128 | -59.3 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1033 | P | 53 | Low | 42.2 | Very low | 117 Ų | 117 | 127.6 Ų | 127.6 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -93.7 | -159.1 | 170.3 | 45.9 | -39.9 | 0 | 0 | 0 | 109.1 | ||||
| 1034 | P | 46.6 | Very low | 42.1 | Very low | 102 Ų | 102 | 128 Ų | 128 | 66% | 0.662 | 78% | 0.775 | S | S | * | * | cis | -140.4 | -147.8 | 3.4 | 30.1 | -2.4 | 0 | 0 | 0 | 113.8 | ||||
| 1035 | I | 37.4 | Very low | 41.5 | Very low | 144 Ų | 144 | 129.1 Ų | 129.1 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | 100.3 | 103.3 | 143.2 | -84.1 | 165.8 | 0 | 0 | 0 | 118.9 | ||||
| 1036 | V | 38.9 | Very low | 40.9 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 66% | 0.655 | 78% | 0.782 | S | S | * | * | 94.6 | 108.3 | 119.9 | 163.4 | 0 | 0 | 0 | 0 | 121 | |||||
| 1037 | N | 37.8 | Very low | 40.7 | Very low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | 79.7 | 135.4 | 128.9 | -73.4 | 24.6 | 0 | 0 | 0 | 123.7 | |||||
| 1038 | S | 38.3 | Very low | 40.7 | Very low | 104 Ų | 104 | 132.7 Ų | 132.7 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | trans | 71.3 | 145.6 | 131.2 | -67 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1039 | S | 41.7 | Very low | 40.7 | Very low | 97 Ų | 97 | 132.8 Ų | 132.8 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | cis | -169.9 | 136.6 | -12.2 | 43.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1040 | D | 39.6 | Very low | 40.5 | Very low | 240 Ų | 240 | 132.7 Ų | 132.7 | 100% | 1.283 | 77% | 0.774 | S | S | * | * | -165.6 | 0 | 126.6 | -93.3 | -20.1 | 0 | 0 | 0 | 108.3 |
Retrieved 1,040 of 1,040 residues in 177.7 ms
(Link to these results)