| 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 | 32.4 | Very low | 32.9 | Very low | 199 Ų | 199 | 136.6 Ų | 136.6 | 98% | 0.98 | 77% | 0.771 | S | S | * | * | 0 | 104.5 | 0 | -170.1 | 172.2 | -177 | 0 | 0 | 103.7 | H471 | M1-H471 WeakPolarHBondContact CA-NE2 3.32Å; M1-H471 PolarHBondContact N-CE1 3.4Å; M1-H471 VanDerWaalsContact N-CE1 3.34Å; M1-H471 PolarHBondContact N-NE2 3.41Å | |||
| 2 | I | 34.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 137.7 Ų | 137.7 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | cis | -131.2 | 123.9 | 49 | -70.3 | 140.9 | 0 | 0 | 0 | 107.9 | ||||
| 3 | R | 32.9 | Very low | 31.9 | Very low | 218 Ų | 218 | 134.4 Ų | 134.4 | 82% | 0.823 | 76% | 0.764 | S | S | * | * | 59.6 | 85.8 | 82.7 | -167.3 | -172.7 | -120.9 | -178.1 | 1.2 | 113.6 | |||||
| 4 | F | 33.7 | Very low | 31.5 | Very low | 144 Ų | 144 | 131.6 Ų | 131.6 | 63% | 0.632 | 76% | 0.756 | S | S | * | * | trans | -68.1 | 162.1 | 155.6 | -76.7 | -117 | 0 | 0 | 0 | 109.5 | F469 | F4-F469 HydrophobicContact CB-CZ 4.26Å; F4-F469 HydrophobicContact CD1-CZ 4.06Å; F4-F469 AromaticContact CD2-CE1 3.78Å; F4-F469 HydrophobicContact CD2-CE1 3.78Å; F4-F469 AromaticContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CD2-CZ 3.41Å; F4-F469 VanDerWaalsContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CE1-CZ 4.24Å; F4-F469 HydrophobicContact CE2-CE1 4.02Å; F4-F469 AromaticContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CG-CE1 4.39Å; F4-F469 HydrophobicContact CG-CE2 4.4Å; F4-F469 AromaticContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CZ-CZ 4.04Å | ||
| 5 | P | 41.6 | Very low | 31.4 | Very low | 123 Ų | 123 | 134.7 Ų | 134.7 | 80% | 0.799 | 76% | 0.757 | S | S | * | * | -134.4 | 134 | 118.9 | 35.1 | -25.2 | 0 | 0 | 0 | 112.8 | |||||
| 6 | S | 32.9 | Very low | 31.3 | Very low | 100 Ų | 100 | 133.4 Ų | 133.4 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | trans | -71.2 | 150.7 | 159.7 | -57.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 7 | G | 33.2 | Very low | 31.4 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 76% | 0.756 | S | S | * | * | trans | -154.4 | 56.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 8 | T | 31 | Very low | 31.4 | Very low | 133 Ų | 133 | 131.6 Ų | 131.6 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | -72.6 | 128.7 | 170.8 | 42.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 9 | V | 33.8 | Very low | 31.5 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | trans | -150.4 | 130.7 | 142.9 | -102.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 10 | D | 28.5 | Very low | 31.5 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | 59.1 | 109.7 | 134.7 | -54.5 | -16.3 | 0 | 0 | 0 | 121.7 | ||||
| 11 | S | 27.7 | Very low | 31.6 | Very low | 100 Ų | 100 | 133 Ų | 133 | 70% | 0.699 | 75% | 0.747 | S | S | * | * | 89.1 | 161.4 | 118.3 | 82.2 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 12 | L | 27.8 | Very low | 31.8 | Very low | 149 Ų | 149 | 130.5 Ų | 130.5 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | 54 | 99.5 | 155.1 | -66.3 | 166.7 | 0 | 0 | 0 | 117.6 | ||||
| 13 | S | 25.3 | Very low | 31.6 | Very low | 95 Ų | 95 | 131 Ų | 131 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | 31.6 | 111.7 | 125.6 | 61.7 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 14 | C | 26.3 | Very low | 31.5 | Very low | 96 Ų | 96 | 127.3 Ų | 127.3 | 65% | 0.649 | 74% | 0.737 | S | S | * | * | 158 | 173.6 | 111.5 | -82.9 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 15 | F | 29.2 | Very low | 31.4 | Very low | 177 Ų | 177 | 124.3 Ų | 124.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | 61.6 | 107.5 | 159.8 | -56.6 | -57.7 | 0 | 0 | 0 | 117.9 | ||||
| 16 | L | 30 | Very low | 31 | Very low | 115 Ų | 115 | 123.6 Ų | 123.6 | 60% | 0.602 | 74% | 0.737 | S | S | * | * | 75.5 | 132 | 79.5 | -99.9 | 72.6 | 0 | 0 | 0 | 114.8 | I18 | L16-I18 HydrophobicContact CD2-CD1 3.65Å; L16-I18 HydrophobicContact CD2-CG1 4.11Å; L16-I18 HydrophobicContact CG-CD1 4.01Å; L16-I18 HydrophobicContact CG-CG1 4.13Å | |||
| 17 | S | 32.3 | Very low | 30.9 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 90% | 0.895 | 74% | 0.743 | S | S | * | * | trans | -148.4 | 77.8 | 151.7 | -78.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 18 | I | 32.8 | Very low | 31 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 54% | 0.538 | 75% | 0.75 | S | S | . | * | trans | -88.4 | 130.8 | 173.7 | -65.9 | 174.7 | 0 | 0 | 0 | 108.2 | L16 H20 | L16-I18 HydrophobicContact CD2-CD1 3.65Å; L16-I18 HydrophobicContact CD2-CG1 4.11Å; L16-I18 HydrophobicContact CG-CD1 4.01Å; L16-I18 HydrophobicContact CG-CG1 4.13Å; I18-H20 PolarHBondContact O-N 3.14Å | ||
| 19 | P | 32.7 | Very low | 30.9 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 75% | 0.75 | S | S | * | * | trans | -71.8 | 106.8 | 159.1 | 30 | -30 | 0 | 0 | 0 | 108.1 | ||||
| 20 | H | 31.5 | Very low | 31 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -60.7 | 138.1 | -179.7 | -75.9 | -111 | 0 | 0 | 0 | 111.6 | I18 | I18-H20 PolarHBondContact O-N 3.14Š| ||
| 21 | N | 34.4 | Very low | 31.3 | Very low | 141 Ų | 141 | 126.7 Ų | 126.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | -170.5 | 133.1 | 116 | -95.7 | -32.2 | 0 | 0 | 0 | 112.8 | |||||
| 22 | L | 35.3 | Very low | 31.3 | Very low | 147 Ų | 147 | 125 Ų | 125 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | 55.9 | 107.1 | 151.2 | -54.3 | 174 | 0 | 0 | 0 | 116.5 | ||||
| 23 | L | 30.7 | Very low | 31.5 | Very low | 158 Ų | 158 | 125.7 Ų | 125.7 | 83% | 0.827 | 76% | 0.762 | S | S | * | * | 44.6 | 128.6 | 65.3 | -60.4 | 166.9 | 0 | 0 | 0 | 111.9 | |||||
| 24 | N | 31.7 | Very low | 31.8 | Very low | 142 Ų | 142 | 127.1 Ų | 127.1 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | cis | -162.2 | 151.6 | 28.1 | -170.4 | 16.9 | 0 | 0 | 0 | 111.4 | ||||
| 25 | A | 31.6 | Very low | 32.2 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 66% | 0.661 | 77% | 0.771 | S | S | * | * | trans | 53.8 | 160.1 | 160.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 26 | S | 32.1 | Very low | 32.5 | Very low | 109 Ų | 109 | 129.5 Ų | 129.5 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | cis | -169.2 | 150.4 | -31.7 | -88.8 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 27 | P | 31.9 | Very low | 32.6 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | trans | -82.7 | 132.5 | -175.5 | 32.1 | -33.9 | 0 | 0 | 0 | 112.9 | ||||
| 28 | L | 33.5 | Very low | 32.9 | Very low | 180 Ų | 180 | 129.5 Ų | 129.5 | 94% | 0.942 | 77% | 0.769 | S | S | * | * | trans | -141 | 162 | 167.5 | -91.3 | 174.5 | 0 | 0 | 0 | 111.8 | ||||
| 29 | S | 29.7 | Very low | 33.1 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -107.3 | 177.7 | -157.8 | -115.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 30 | P | 36.4 | Very low | 33.2 | Very low | 130 Ų | 130 | 129.7 Ų | 129.7 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | trans | -92 | 162.8 | -149.3 | 36 | -39.3 | 0 | 0 | 0 | 117.9 | ||||
| 31 | G | 33.4 | Very low | 33.5 | Very low | 81 Ų | 81 | 127.7 Ų | 127.7 | 84% | 0.835 | 79% | 0.787 | S | S | * | * | trans | 162.9 | 149.5 | 172.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 32 | G | 28.7 | Very low | 33.5 | Very low | 65 Ų | 65 | 126.8 Ų | 126.8 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | cis | 161.8 | 179.7 | 8.7 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 33 | L | 33 | Very low | 33.6 | Very low | 164 Ų | 164 | 126 Ų | 126 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | 69.8 | 115.5 | -177.3 | -43.4 | 172.9 | 0 | 0 | 0 | 113.5 | ||||
| 34 | T | 31.5 | Very low | 33.7 | Very low | 124 Ų | 124 | 122 Ų | 122 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | cis | 78.5 | 111.4 | 30 | 80.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 35 | M | 34.8 | Very low | 33.6 | Very low | 154 Ų | 154 | 123.5 Ų | 123.5 | 76% | 0.759 | 80% | 0.8 | S | S | * | * | trans | -170.3 | 117.6 | 145.2 | -88.8 | -62.6 | -85.5 | 0 | 0 | 105.3 | ||||
| 36 | Q | 35.1 | Very low | 33.8 | Very low | 169 Ų | 169 | 123.9 Ų | 123.9 | 79% | 0.79 | 80% | 0.795 | S | S | * | * | 58 | 134.9 | 86.1 | -67.6 | -172 | 8.4 | 0 | 0 | 114.3 | |||||
| 37 | S | 31.1 | Very low | 33.6 | Very low | 102 Ų | 102 | 128.3 Ų | 128.3 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | cis | -164.3 | 164.6 | -9.4 | -164.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 38 | I | 38.5 | Very low | 33.4 | Very low | 141 Ų | 141 | 126.4 Ų | 126.4 | 72% | 0.723 | 80% | 0.796 | S | S | * | * | -175.6 | 144.1 | 65.7 | -74.5 | -176.4 | 0 | 0 | 0 | 108.6 | |||||
| 39 | D | 37.4 | Very low | 33.2 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 83% | 0.834 | 79% | 0.789 | S | S | * | * | trans | 31.6 | 132.7 | 157.2 | -49.1 | -18.4 | 0 | 0 | 0 | 123.8 | ||||
| 40 | G | 35.4 | Very low | 33.3 | Very low | 78 Ų | 78 | 126.5 Ų | 126.5 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 167.3 | 54.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 41 | S | 37.3 | Very low | 32.9 | Very low | 117 Ų | 117 | 124.9 Ų | 124.9 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 167.8 | -173.4 | -50.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 42 | P | 35.1 | Very low | 32.9 | Very low | 122 Ų | 122 | 126.7 Ų | 126.7 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | cis | -141.4 | 120.6 | -44.6 | 35.9 | -17.5 | 0 | 0 | 0 | 114 | ||||
| 43 | S | 35.9 | Very low | 32.9 | Very low | 129 Ų | 129 | 132 Ų | 132 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | -162.1 | 146.7 | 162.6 | 56.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 44 | G | 33.5 | Very low | 32.6 | Very low | 74 Ų | 74 | 130.7 Ų | 130.7 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | 69.8 | 81.4 | 166 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 45 | L | 30.5 | Very low | 32.4 | Very low | 175 Ų | 175 | 134.3 Ų | 134.3 | 92% | 0.916 | 79% | 0.789 | S | S | * | * | trans | -62.8 | 159 | 162.3 | -86.5 | 173.5 | 0 | 0 | 0 | 111.5 | ||||
| 46 | P | 35.6 | Very low | 32.1 | Very low | 88 Ų | 88 | 134 Ų | 134 | 57% | 0.571 | 79% | 0.791 | S | S | * | * | -129 | -156.1 | -123.8 | 44.8 | -31.4 | 0 | 0 | 0 | 113 | |||||
| 47 | F | 27.7 | Very low | 31.7 | Very low | 201 Ų | 201 | 131.7 Ų | 131.7 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 35 | 140.2 | 155 | -64.3 | -55.6 | 0 | 0 | 0 | 118.9 | ||||
| 48 | A | 27.7 | Very low | 31.5 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | cis | 178 | 152.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 103.5 | ||||
| 49 | G | 28.5 | Very low | 31.2 | Very low | 77 Ų | 77 | 132.9 Ų | 132.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -157 | 62.9 | -167.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 50 | Y | 32.8 | Very low | 30.8 | Very low | 222 Ų | 222 | 136 Ų | 136 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | 4.3 | 111.9 | 165.3 | -72.9 | -91.2 | 0 | 0 | 0 | 118.2 | P52 | Y50-P52 WeakPolarHBondContact O-CD 3.31Š| ||
| 51 | A | 28.5 | Very low | 30.6 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -85.3 | 120.3 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 52 | P | 33.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 79% | 0.792 | S | S | * | * | trans | -94 | 104.8 | 165.1 | 33.1 | -28.4 | 0 | 0 | 0 | 110.5 | Y50 | Y50-P52 WeakPolarHBondContact O-CD 3.31Š| ||
| 53 | F | 27.8 | Very low | 30.1 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 77% | 0.768 | 79% | 0.79 | S | S | * | * | trans | 7.4 | 120.2 | 157.3 | -76.7 | -94.4 | 0 | 0 | 0 | 119.3 | R55 | F53-R55 HydrophobicContact CB-CG 4.39Å; F53-R55 PolarHBondContact O-N 3.11Å | ||
| 54 | V | 26.6 | Very low | 29.9 | Very low | 137 Ų | 137 | 141.8 Ų | 141.8 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -56 | 106.6 | 147 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 55 | R | 27.8 | Very low | 29.7 | Very low | 200 Ų | 200 | 145.7 Ų | 145.7 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | trans | -119.3 | 105.3 | 165.7 | -90.9 | -171.2 | 173.4 | -170.9 | -0.9 | 110.2 | F53 L57 | F53-R55 HydrophobicContact CB-CG 4.39Å; F53-R55 PolarHBondContact O-N 3.11Å; R55-L57 PolarHBondContact O-N 3.34Å; R55-L57 VanDerWaalsContact O-N 3.14Å | ||
| 56 | N | 27.1 | Very low | 29.8 | Very low | 149 Ų | 149 | 144.3 Ų | 144.3 | 80% | 0.797 | 78% | 0.776 | S | S | * | * | trans | -56.1 | 113.8 | 155.2 | -69 | -62.1 | 0 | 0 | 0 | 108 | ||||
| 57 | L | 28.3 | Very low | 29.5 | Very low | 119 Ų | 119 | 147 Ų | 147 | 62% | 0.623 | 79% | 0.786 | S | S | * | * | trans | -125.9 | 90.3 | 176.5 | -150.7 | 78 | 0 | 0 | 0 | 109.9 | R55 L59 | R55-L57 PolarHBondContact O-N 3.34Å; R55-L57 VanDerWaalsContact O-N 3.14Å; L57-L59 HydrophobicContact CD2-CD1 3.96Å; L57-L59 HydrophobicContact CD2-CD2 4.37Å; L57-L59 HydrophobicContact CD2-CG 4.06Å; L57-L59 HydrophobicContact CG-CG 4.26Å; L57-L59 PolarHBondContact O-N 3.05Å | ||
| 58 | C | 26.2 | Very low | 29.7 | Very low | 127 Ų | 127 | 143.3 Ų | 143.3 | 86% | 0.858 | 78% | 0.78 | S | S | * | * | trans | -67.5 | 89.8 | 175.2 | -62.5 | 0 | 0 | 0 | 0 | 110.6 | R60 | C58-R60 PolarHBondContact O-N 3.49Š| ||
| 59 | L | 33.1 | Very low | 29.7 | Very low | 141 Ų | 141 | 142.8 Ų | 142.8 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | trans | -94.7 | 90.5 | 174.1 | -71 | -177.6 | 0 | 0 | 0 | 111.6 | L57 L61 | L57-L59 HydrophobicContact CD2-CD1 3.96Å; L57-L59 HydrophobicContact CD2-CD2 4.37Å; L57-L59 HydrophobicContact CD2-CG 4.06Å; L57-L59 HydrophobicContact CG-CG 4.26Å; L57-L59 PolarHBondContact O-N 3.05Å; L59-L61 PolarHBondContact O-N 3.12Å | ||
| 60 | R | 27.2 | Very low | 29.9 | Very low | 222 Ų | 222 | 147.1 Ų | 147.1 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -2.1 | 107.3 | 154.2 | -62.7 | 174.7 | 172.2 | -176.7 | -4.8 | 115.9 | C58 | C58-R60 PolarHBondContact O-N 3.49Š| ||
| 61 | L | 33.1 | Very low | 29.8 | Very low | 162 Ų | 162 | 143.7 Ų | 143.7 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | trans | -97.7 | 108.9 | 146.3 | -75.3 | 174.2 | 0 | 0 | 0 | 108.3 | L59 L63 | L59-L61 PolarHBondContact O-N 3.12Å; L61-L63 PolarHBondContact O-N 3.45Å | ||
| 62 | N | 28.2 | Very low | 30 | Very low | 147 Ų | 147 | 146.8 Ų | 146.8 | 79% | 0.786 | 78% | 0.777 | S | S | * | * | trans | -72.4 | 106.2 | 171.7 | -78.2 | -24.2 | 0 | 0 | 0 | 109 | ||||
| 63 | L | 33 | Very low | 29.9 | Very low | 144 Ų | 144 | 146.4 Ų | 146.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | -87.8 | 130.5 | 157.3 | -89.7 | 71.2 | 0 | 0 | 0 | 108.6 | L61 I65 | L61-L63 PolarHBondContact O-N 3.45Å; L63-I65 PolarHBondContact O-N 3.21Å; L63-I65 VanDerWaalsContact O-N 3.12Å | ||
| 64 | P | 31 | Very low | 29.9 | Very low | 114 Ų | 114 | 145.9 Ų | 145.9 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | trans | -71.6 | 107 | 176.6 | 28.7 | -32.9 | 0 | 0 | 0 | 110 | I66 | P64-I66 PolarHBondContact O-N 3.09Š| ||
| 65 | I | 29.6 | Very low | 30.4 | Very low | 157 Ų | 157 | 145.3 Ų | 145.3 | 81% | 0.805 | 78% | 0.778 | S | S | * | * | trans | -70.5 | 100.5 | 167.6 | -60.3 | 176.9 | 0 | 0 | 0 | 107.4 | L63 N67 | L63-I65 PolarHBondContact O-N 3.21Å; L63-I65 VanDerWaalsContact O-N 3.12Å; I65-N67 PolarHBondContact O-N 2.97Å | ||
| 66 | I | 33.6 | Very low | 30.6 | Very low | 145 Ų | 145 | 143.2 Ų | 143.2 | 74% | 0.744 | 78% | 0.782 | S | S | * | * | trans | -69.1 | 101.7 | 173.1 | -61.1 | 178.3 | 0 | 0 | 0 | 107.7 | P64 T68 | P64-I66 PolarHBondContact O-N 3.09Å; I66-T68 PolarHBondContact O-N 3.37Å | ||
| 67 | N | 27.3 | Very low | 30.8 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | -90.3 | 92.9 | -174.8 | -172.4 | 15.5 | 0 | 0 | 0 | 110.7 | I65 | I65-N67 PolarHBondContact O-N 2.97Š| ||
| 68 | T | 33.2 | Very low | 31 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | -122.7 | 113.7 | 169.1 | 38.2 | 0 | 0 | 0 | 0 | 109.8 | I66 | I66-T68 PolarHBondContact O-N 3.37Š| ||
| 69 | A | 28.1 | Very low | 31.2 | Very low | 77 Ų | 77 | 141.3 Ų | 141.3 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -78.2 | 155 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 70 | N | 33 | Very low | 31 | Very low | 168 Ų | 168 | 137.8 Ų | 137.8 | 90% | 0.898 | 79% | 0.791 | S | S | * | * | trans | -148.4 | 152.8 | 130.1 | -119 | -34.2 | 0 | 0 | 0 | 111.5 | ||||
| 71 | I | 29.2 | Very low | 31.3 | Very low | 150 Ų | 150 | 134 Ų | 134 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -113.8 | 112.7 | -158.2 | -58.6 | 163.7 | 0 | 0 | 0 | 110.6 | ||||
| 72 | I | 33.5 | Very low | 31.3 | Very low | 161 Ų | 161 | 132.9 Ų | 132.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | -140.6 | 128.6 | 162.7 | -55.6 | -177.6 | 0 | 0 | 0 | 108.1 | ||||
| 73 | P | 30.4 | Very low | 31.5 | Very low | 112 Ų | 112 | 132 Ų | 132 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -89.3 | 158.8 | -169.2 | 34.6 | -36.7 | 0 | 0 | 0 | 115.1 | ||
| 74 | L | 29.2 | Very low | 31.3 | Very low | 164 Ų | 164 | 130.1 Ų | 130.1 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 140 | 168.8 | -92.7 | 65.3 | 0 | 0 | 0 | 112 | ||
| 75 | P | 36.8 | Very low | 31.4 | Very low | 124 Ų | 124 | 131.2 Ų | 131.2 | 81% | 0.805 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 143.8 | 156.8 | -12.7 | 29.4 | 0 | 0 | 0 | 111.5 | ||
| 76 | N | 32.2 | Very low | 31.3 | Very low | 156 Ų | 156 | 128.1 Ų | 128.1 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 146.1 | -175.5 | -145.3 | 20.8 | 0 | 0 | 0 | 111.6 | G78 | N76-G78 PolarHBondContact O-N 3.25Š|
| 77 | P | 30.9 | Very low | 31 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 122.6 | 173.1 | 30 | -32.3 | 0 | 0 | 0 | 111 | ||
| 78 | G | 32.2 | Very low | 31 | Very low | 72 Ų | 72 | 129.5 Ų | 129.5 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | -148.4 | 108 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | N76 | N76-G78 PolarHBondContact O-N 3.25Š| ||
| 79 | V | 30.9 | Very low | 31 | Very low | 159 Ų | 159 | 129.2 Ų | 129.2 | 96% | 0.964 | 79% | 0.789 | S | S | * | * | trans | -21.5 | 127.9 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 80 | G | 28.1 | Very low | 31.2 | Very low | 67 Ų | 67 | 132.9 Ų | 132.9 | 69% | 0.691 | 80% | 0.804 | S | S | * | * | trans | -171.9 | 71.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 81 | V | 34.5 | Very low | 31.1 | Very low | 141 Ų | 141 | 128.2 Ų | 128.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | 47.7 | 124.6 | 150.7 | -161.4 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 82 | I | 32.8 | Very low | 31.1 | Very low | 140 Ų | 140 | 127.3 Ų | 127.3 | 72% | 0.718 | 80% | 0.801 | S | S | * | * | trans | -93.2 | 148.2 | 170.3 | -60 | 162.4 | 0 | 0 | 0 | 110.7 | ||||
| 83 | P | 32.3 | Very low | 31.3 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | trans | -127.6 | 127.8 | 139.6 | 34.7 | -24.9 | 0 | 0 | 0 | 113.2 | ||||
| 84 | S | 28.9 | Very low | 31.3 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -99.8 | 138.9 | 179.3 | -39.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 85 | V | 32.5 | Very low | 31.5 | Very low | 138 Ų | 138 | 124.5 Ų | 124.5 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | trans | -145 | 114.3 | 156.1 | -176.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 86 | S | 28.1 | Very low | 31.1 | Very low | 92 Ų | 92 | 124.4 Ų | 124.4 | 64% | 0.643 | 79% | 0.792 | S | S | * | * | trans | 25.2 | 138 | 142.3 | -57.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 87 | Y | 26.4 | Very low | 31.1 | Very low | 227 Ų | 227 | 124.8 Ų | 124.8 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | 31.7 | 145.5 | 122.6 | -60.4 | -84.2 | 0 | 0 | 0 | 120.6 | |||||
| 88 | A | 26.9 | Very low | 30.9 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 76% | 0.76 | 79% | 0.794 | S | S | * | * | cis | -156.8 | 175.6 | 17.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 89 | P | 34.4 | Very low | 30.6 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | trans | -106.5 | 153.1 | -166.1 | 38.7 | -33.6 | 0 | 0 | 0 | 117.1 | ||||
| 90 | T | 33 | Very low | 30.5 | Very low | 154 Ų | 154 | 129.6 Ų | 129.6 | 95% | 0.945 | 79% | 0.792 | S | S | * | * | trans | -168.8 | 137.8 | 148.7 | 25.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 91 | G | 30.3 | Very low | 30.6 | Very low | 71 Ų | 71 | 131.3 Ų | 131.3 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 86.7 | 85.2 | 141.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 92 | C | 28.5 | Very low | 30.3 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 88% | 0.878 | 78% | 0.783 | S | S | * | * | 53.9 | 163 | 129.8 | -67.2 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 93 | P | 37.2 | Very low | 30.1 | Very low | 110 Ų | 110 | 128.4 Ų | 128.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | cis | -134.1 | 165.2 | -16.3 | 35.5 | -17.6 | 0 | 0 | 0 | 116.7 | ||||
| 94 | N | 31.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 128.7 Ų | 128.7 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | trans | 66.6 | 161.8 | 155.1 | -95.5 | -8.5 | 0 | 0 | 0 | 120.3 | ||||
| 95 | P | 32.8 | Very low | 29.8 | Very low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 79% | 0.786 | S | S | * | * | cis | -107.9 | 161.5 | -3.6 | 39 | -29.9 | 0 | 0 | 0 | 114.9 | ||||
| 96 | V | 28.2 | Very low | 29.6 | Very low | 122 Ų | 122 | 131.2 Ų | 131.2 | 74% | 0.739 | 78% | 0.782 | S | S | * | * | trans | -87 | 136.5 | -178.5 | 176.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 97 | L | 32.2 | Very low | 29.6 | Very low | 164 Ų | 164 | 131.1 Ų | 131.1 | 86% | 0.859 | 79% | 0.787 | S | S | * | * | trans | -111 | 140.1 | 162.1 | -93.2 | 164.9 | 0 | 0 | 0 | 109.9 | ||||
| 98 | C | 27.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 129.4 Ų | 129.4 | 82% | 0.824 | 79% | 0.787 | S | S | * | * | trans | -79.8 | 123.3 | -156.6 | -57.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 99 | Y | 25.4 | Very low | 29.9 | Very low | 199 Ų | 199 | 129.8 Ų | 129.8 | 78% | 0.78 | 78% | 0.784 | S | S | * | * | trans | -91.4 | 143.6 | 152.3 | -76.4 | -101.9 | 0 | 0 | 0 | 109.7 | T101 | Y99-T101 WeakPolarHBondContact CB-OG1 3.42Å; Y99-T101 PolarHBondContact O-N 2.99Å; Y99-T101 VanDerWaalsContact O-N 3.09Å | ||
| 100 | P | 30.5 | Very low | 29.9 | Very low | 137 Ų | 137 | 131.4 Ų | 131.4 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | -75.2 | 80 | 148.2 | 32.4 | -29.7 | 0 | 0 | 0 | 108.3 | ||||
| 101 | T | 29.9 | Very low | 30 | Very low | 102 Ų | 102 | 131.4 Ų | 131.4 | 63% | 0.626 | 78% | 0.784 | S | S | * | * | trans | -62.2 | 146.3 | -179.5 | -52.9 | 0 | 0 | 0 | 0 | 111.2 | Y99 V103 | Y99-T101 WeakPolarHBondContact CB-OG1 3.42Å; Y99-T101 PolarHBondContact O-N 2.99Å; Y99-T101 VanDerWaalsContact O-N 3.09Å; T101-V103 PolarHBondContact O-N 3.2Å | ||
| 102 | S | 28 | Very low | 30.1 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -50 | 118.1 | 178.4 | 53.4 | 0 | 0 | 0 | 0 | 113.4 | T104 | S102-T104 PolarHBondContact O-N 3.25Š| ||
| 103 | V | 29.2 | Very low | 30.1 | Very low | 118 Ų | 118 | 131.4 Ų | 131.4 | 72% | 0.715 | 79% | 0.786 | S | S | * | * | trans | -89.1 | 95.1 | 169.6 | 179.5 | 0 | 0 | 0 | 0 | 109.4 | T101 Q105 | T101-V103 PolarHBondContact O-N 3.2Å; V103-Q105 HydrophobicContact CG1-CB 4.36Å; V103-Q105 HydrophobicContact CG1-CG 3.82Å; V103-Q105 PolarHBondContact O-N 2.98Å; V103-Q105 VanDerWaalsContact O-N 3.17Å | ||
| 104 | T | 26.5 | Very low | 29.8 | Very low | 134 Ų | 134 | 129 Ų | 129 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -71.6 | 97.3 | 160.5 | 19.3 | 0 | 0 | 0 | 0 | 109.1 | S102 | S102-T104 PolarHBondContact O-N 3.25Š| ||
| 105 | Q | 28.2 | Very low | 29.8 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 79% | 0.794 | 79% | 0.788 | S | S | * | * | trans | -106.2 | 105.5 | 163 | -87.4 | -173.1 | 7.8 | 0 | 0 | 111.2 | V103 | V103-Q105 HydrophobicContact CG1-CB 4.36Å; V103-Q105 HydrophobicContact CG1-CG 3.82Å; V103-Q105 PolarHBondContact O-N 2.98Å; V103-Q105 VanDerWaalsContact O-N 3.17Å | ||
| 106 | T | 28.1 | Very low | 29.8 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 77% | 0.767 | 79% | 0.788 | S | S | * | * | trans | 8.4 | 121.4 | 147.5 | -45.5 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 107 | A | 26.7 | Very low | 30.1 | Very low | 90 Ų | 90 | 127.8 Ų | 127.8 | 74% | 0.744 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 137.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 108 | H | 31.6 | Very low | 30.2 | Very low | 190 Ų | 190 | 126.3 Ų | 126.3 | 88% | 0.88 | 78% | 0.781 | S | S | * | * | trans | -126.2 | 118.4 | 147.7 | -82.9 | -77.1 | 0 | 0 | 0 | 108.3 | ||||
| 109 | S | 29 | Very low | 30.5 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | trans | -95.7 | 138.1 | -178.2 | 51.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 110 | V | 34 | Very low | 31 | Very low | 150 Ų | 150 | 120.2 Ų | 120.2 | 91% | 0.909 | 76% | 0.763 | S | S | * | * | trans | -131.9 | 138.4 | 147.4 | -177.9 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 111 | I | 34.2 | Very low | 31.5 | Very low | 155 Ų | 155 | 121.1 Ų | 121.1 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | trans | -109.5 | 135.3 | -165.8 | -63.7 | 165.4 | 0 | 0 | 0 | 109.7 | ||||
| 112 | G | 33.1 | Very low | 31.8 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 78% | 0.784 | 76% | 0.762 | S | S | * | * | trans | -154.6 | 118.7 | 169.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 113 | S | 29.2 | Very low | 32.4 | Very low | 124 Ų | 124 | 122.9 Ų | 122.9 | 87% | 0.867 | 76% | 0.756 | S | S | * | * | trans | -98.7 | 132.1 | -161.3 | 56.2 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 114 | G | 30.6 | Very low | 32.8 | Very low | 61 Ų | 61 | 123.4 Ų | 123.4 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | -163.8 | 150.4 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | S116 | G114-S116 PolarHBondContact O-N 3.23Å; G114-S116 VanDerWaalsContact O-N 3.13Å | ||
| 115 | P | 30.1 | Very low | 33.6 | Very low | 138 Ų | 138 | 128 Ų | 128 | 90% | 0.896 | 76% | 0.761 | S | S | * | * | trans | -68.3 | 111.3 | 178 | 28 | -32.9 | 0 | 0 | 0 | 109.6 | D117 | P115-D117 PolarHBondContact O-N 3.09Å; P115-D117 VanDerWaalsContact O-N 3.17Å | ||
| 116 | S | 34.2 | Very low | 34.5 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -70.5 | 109 | 179 | 54.6 | 0 | 0 | 0 | 0 | 110.6 | G114 | G114-S116 PolarHBondContact O-N 3.23Å; G114-S116 VanDerWaalsContact O-N 3.13Å | ||
| 117 | D | 33.4 | Very low | 35.4 | Very low | 111 Ų | 111 | 122.3 Ų | 122.3 | 59% | 0.594 | 75% | 0.751 | S | S | * | * | trans | -52 | 127.2 | -179.9 | -178.5 | 31.1 | 0 | 0 | 0 | 112.6 | P115 S119 | P115-D117 PolarHBondContact O-N 3.09Å; P115-D117 VanDerWaalsContact O-N 3.17Å; D117-S119 VanDerWaalsContact CG-OG 3.28Å; D117-S119 PolarHBondContact O-N 3.05Å; D117-S119 WeakPolarHBondContact OD2-CB 3.46Å; D117-S119 PolarHBondContact OD2-OG 3.42Å | ||
| 118 | P | 35.8 | Very low | 36.2 | Very low | 132 Ų | 132 | 122.9 Ų | 122.9 | 86% | 0.857 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -77.2 | 53.2 | -179.5 | 33.6 | -38.1 | 0 | 0 | 0 | 112.7 | ||
| 119 | S | 33.5 | Very low | 36.7 | Very low | 58 Ų | 58 | 121.7 Ų | 121.7 | 41% | 0.406 | 74% | 0.742 | S | S | . | * | trans | -122.9 | 7.4 | -172.7 | 70 | 0 | 0 | 0 | 0 | 115.2 | D117 H121 | D117-S119 VanDerWaalsContact CG-OG 3.28Å; D117-S119 PolarHBondContact O-N 3.05Å; D117-S119 WeakPolarHBondContact OD2-CB 3.46Å; D117-S119 PolarHBondContact OD2-OG 3.42Å; S119-H121 PolarHBondContact O-N 2.86Å; S119-H121 PolarHBondContact O-ND1 3.34Å | ||
| 120 | V | 35.5 | Very low | 37.2 | Very low | 135 Ų | 135 | 126.3 Ų | 126.3 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | trans | -70.9 | 87.3 | 178.7 | -173.7 | 0 | 0 | 0 | 0 | 111.2 | T122 | V120-T122 PolarHBondContact O-N 3.34Š| ||
| 121 | H | 40.4 | Very low | 37.6 | Very low | 156 Ų | 156 | 125.8 Ų | 125.8 | 72% | 0.722 | 74% | 0.742 | S | S | * | * | trans | -83.3 | 111.5 | 177.7 | -71.8 | 67.6 | 0 | 0 | 0 | 111.1 | S119 I123 | S119-H121 PolarHBondContact O-N 2.86Å; S119-H121 PolarHBondContact O-ND1 3.34Å; H121-I123 PolarHBondContact O-N 2.97Å | ||
| 122 | T | 36 | Very low | 37.8 | Very low | 127 Ų | 127 | 123.7 Ų | 123.7 | 78% | 0.779 | 74% | 0.742 | S | S | * | * | trans | -72.7 | 93.7 | 173.5 | -58.4 | 0 | 0 | 0 | 0 | 110.7 | V120 V124 | V120-T122 PolarHBondContact O-N 3.34Å; T122-V124 PolarHBondContact O-N 3.47Å; T122-V124 VanDerWaalsContact O-N 3.09Å | ||
| 123 | I | 41 | Very low | 38 | Very low | 115 Ų | 115 | 124.4 Ų | 124.4 | 59% | 0.59 | 74% | 0.74 | S | S | * | * | trans | -74.1 | 98.8 | 176.1 | -57.2 | 175.6 | 0 | 0 | 0 | 109.7 | H121 R125 Y165 | H121-I123 PolarHBondContact O-N 2.97Å; I123-R125 PolarHBondContact O-N 3.2Å; I123-Y165 HydrophobicContact CD1-CE2 4.49Å | ||
| 124 | V | 38.1 | Very low | 38.3 | Very low | 129 Ų | 129 | 123.7 Ų | 123.7 | 78% | 0.782 | 74% | 0.735 | S | S | * | * | trans | -68.9 | 112.1 | 167.1 | -179 | 0 | 0 | 0 | 0 | 108.4 | T122 G126 | T122-V124 PolarHBondContact O-N 3.47Å; T122-V124 VanDerWaalsContact O-N 3.09Å; V124-G126 PolarHBondContact O-N 2.94Å | ||
| 125 | R | 43.9 | Very low | 38.5 | Very low | 231 Ų | 231 | 126.3 Ų | 126.3 | 87% | 0.872 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 118.9 | 177.2 | -69 | -176.7 | 176.2 | -174.2 | -1.6 | 110.3 | I123 | I123-R125 PolarHBondContact O-N 3.2Š|
| 126 | G | 46.1 | Very low | 38.8 | Very low | 54 Ų | 54 | 127.4 Ų | 127.4 | 56% | 0.557 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -65.5 | 157.7 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | V124 V128 | V124-G126 PolarHBondContact O-N 2.94Å; G126-V128 PolarHBondContact O-N 3.4Å |
| 127 | P | 47 | Very low | 38.8 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125 | 179.9 | 27 | -33.9 | 0 | 0 | 0 | 111.3 | M129 | P127-M129 PolarHBondContact O-N 3.43Š|
| 128 | V | 43.9 | Very low | 38.9 | Very low | 103 Ų | 103 | 132.4 Ų | 132.4 | 62% | 0.624 | 75% | 0.754 | S | S | * | * | trans | -81.4 | 110.8 | 170.4 | 177.1 | 0 | 0 | 0 | 0 | 108.1 | G126 Y130 | G126-V128 PolarHBondContact O-N 3.4Å; V128-Y130 HydrophobicContact CB-CE2 4.41Å; V128-Y130 HydrophobicContact CG1-CE1 4.41Å; V128-Y130 HydrophobicContact CG1-CE2 4.35Å; V128-Y130 WeakPolarHBondContact O-CD2 3.15Å; V128-Y130 PolarHBondContact O-N 3.22Å | ||
| 129 | M | 41.4 | Very low | 39.1 | Very low | 165 Ų | 165 | 133 Ų | 133 | 81% | 0.813 | 75% | 0.748 | S | S | * | * | trans | -74.3 | 104.6 | 173 | -68.8 | -63.5 | -71.2 | 0 | 0 | 109.5 | P127 T131 | P127-M129 PolarHBondContact O-N 3.43Å; M129-T131 PolarHBondContact O-N 2.98Å | ||
| 130 | Y | 39.4 | Very low | 39.2 | Very low | 197 Ų | 197 | 137.9 Ų | 137.9 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -75.5 | 104.1 | 172.1 | -64.7 | -86.3 | 0 | 0 | 0 | 109.8 | V128 S132 | V128-Y130 HydrophobicContact CB-CE2 4.41Å; V128-Y130 HydrophobicContact CG1-CE1 4.41Å; V128-Y130 HydrophobicContact CG1-CE2 4.35Å; V128-Y130 WeakPolarHBondContact O-CD2 3.15Å; V128-Y130 PolarHBondContact O-N 3.22Å; Y130-S132 PolarHBondContact O-N 3.49Å; Y130-S132 VanDerWaalsContact O-N 3.13Å | ||
| 131 | T | 43.4 | Very low | 39.1 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 85% | 0.847 | 77% | 0.767 | S | S | * | * | trans | -75.7 | 95.5 | 166.1 | 41.8 | 0 | 0 | 0 | 0 | 109.3 | M129 A133 | M129-T131 PolarHBondContact O-N 2.98Å; T131-A133 PolarHBondContact O-N 3.15Å | ||
| 132 | S | 37.4 | Very low | 38.8 | Very low | 112 Ų | 112 | 139.5 Ų | 139.5 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -62.8 | 97.8 | 171.9 | -63.5 | 0 | 0 | 0 | 0 | 110.2 | Y130 S134 | Y130-S132 PolarHBondContact O-N 3.49Å; Y130-S132 VanDerWaalsContact O-N 3.13Å; S132-S134 VanDerWaalsContact C-N 3.31Å; S132-S134 PolarHBondContact O-N 3.01Å | ||
| 133 | A | 38.6 | Very low | 38.8 | Very low | 91 Ų | 91 | 140.8 Ų | 140.8 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | -66.8 | 90.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | T131 S135 | T131-A133 PolarHBondContact O-N 3.15Å; A133-S135 PolarHBondContact O-N 3.4Å | ||
| 134 | S | 34.9 | Very low | 38.4 | Very low | 109 Ų | 109 | 138.9 Ų | 138.9 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | -70.7 | 92 | 179.9 | 179.5 | 0 | 0 | 0 | 0 | 110.4 | S132 H136 | S132-S134 VanDerWaalsContact C-N 3.31Å; S132-S134 PolarHBondContact O-N 3.01Å; S134-H136 PolarHBondContact O-N 2.95Å | ||
| 135 | S | 33.7 | Very low | 38.4 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | trans | -69.5 | 74.1 | 176.8 | -60.5 | 0 | 0 | 0 | 0 | 112 | A133 | A133-S135 PolarHBondContact O-N 3.4Š| ||
| 136 | H | 36.6 | Very low | 38 | Very low | 161 Ų | 161 | 138.1 Ų | 138.1 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | -149.2 | 76.8 | 178.2 | -127.3 | -76.1 | 0 | 0 | 0 | 112.2 | S134 | S134-H136 PolarHBondContact O-N 2.95Š| ||
| 137 | D | 34.7 | Very low | 37.4 | Very low | 155 Ų | 155 | 140.3 Ų | 140.3 | 83% | 0.829 | 78% | 0.782 | S | S | * | * | -174.6 | 108.8 | 129.5 | -94.1 | -16.7 | 0 | 0 | 0 | 110.2 | |||||
| 138 | L | 35.7 | Very low | 36.9 | Very low | 176 Ų | 176 | 139.7 Ų | 139.7 | 92% | 0.921 | 78% | 0.781 | S | S | * | * | trans | -131.8 | 50.9 | -176.7 | -166.2 | 84.7 | 0 | 0 | 0 | 110.8 | ||||
| 139 | I | 39.4 | Very low | 36.5 | Very low | 145 Ų | 145 | 142 Ų | 142 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | -134.4 | 131.9 | -179.2 | -65.7 | -177.5 | 0 | 0 | 0 | 110 | ||||
| 140 | Q | 35.7 | Very low | 36.4 | Very low | 160 Ų | 160 | 139.3 Ų | 139.3 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | 72.1 | 104.4 | -177 | -64.5 | 168.6 | 57.7 | 0 | 0 | 113.6 | ||||
| 141 | R | 33.4 | Very low | 36.3 | Very low | 232 Ų | 232 | 139.8 Ų | 139.8 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | 71.1 | 134.7 | 77.4 | -72.5 | 174.1 | -174.2 | 172.2 | -0.1 | 111.5 | |||||
| 142 | S | 34.8 | Very low | 36.4 | Very low | 92 Ų | 92 | 140.5 Ų | 140.5 | 64% | 0.643 | 79% | 0.786 | S | S | * | * | cis | -178.8 | 155.3 | 0.9 | 49.7 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 143 | N | 35.7 | Very low | 37.1 | Very low | 154 Ų | 154 | 144.4 Ų | 144.4 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | cis | -160.5 | 152.7 | 33.9 | -79.4 | -66.4 | 0 | 0 | 0 | 111.3 | ||||
| 144 | G | 32.6 | Very low | 37.5 | Very low | 76 Ų | 76 | 148.6 Ų | 148.6 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 75.8 | 158.5 | 159 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 145 | I | 37.2 | Very low | 38 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 82% | 0.815 | 78% | 0.777 | S | S | * | * | cis | -140 | 126.1 | -7.3 | -98.8 | 170.8 | 0 | 0 | 0 | 108.7 | ||||
| 146 | H | 37.3 | Very low | 38.6 | Very low | 185 Ų | 185 | 145 Ų | 145 | 86% | 0.856 | 76% | 0.757 | S | S | * | * | trans | 49.1 | 118.1 | 161.2 | -70 | -96.2 | 0 | 0 | 0 | 121.7 | ||||
| 147 | S | 32.6 | Very low | 39.3 | Very low | 99 Ų | 99 | 141.6 Ų | 141.6 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | -74.3 | 157.3 | 170.7 | -177.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 148 | S | 37.2 | Very low | 40.4 | Very low | 108 Ų | 108 | 138 Ų | 138 | 76% | 0.755 | 74% | 0.735 | S | S | * | * | trans | -134.3 | 113.8 | 148.9 | 54.1 | 0 | 0 | 0 | 0 | 110.7 | T150 | S148-T150 PolarHBondContact O-N 3.37Š| ||
| 149 | D | 34.1 | Very low | 41.6 | Very low | 151 Ų | 151 | 133 Ų | 133 | 81% | 0.807 | 71% | 0.709 | S | S | * | * | trans | -68.2 | 114.8 | -174.5 | -70.3 | -71.9 | 0 | 0 | 0 | 112.9 | ||||
| 150 | T | 39 | Very low | 42.6 | Very low | 109 Ų | 109 | 132.5 Ų | 132.5 | 67% | 0.669 | 70% | 0.698 | S | S | * | * | trans | -110.3 | 104.6 | 159.1 | 52.4 | 0 | 0 | 0 | 0 | 108.7 | S148 I152 | S148-T150 PolarHBondContact O-N 3.37Å; T150-I152 PolarHBondContact O-N 2.98Å | ||
| 151 | K | 37.7 | Very low | 44.1 | Very low | 207 Ų | 207 | 130.5 Ų | 130.5 | 90% | 0.9 | 69% | 0.691 | S | S | * | * | trans | -62 | 99.9 | -179.2 | -69.4 | -172.7 | 177.9 | -174 | 0 | 110.6 | K153 | K151-K153 PolarHBondContact O-N 2.98Š| ||
| 152 | I | 47.2 | Very low | 46 | Very low | 153 Ų | 153 | 124 Ų | 124 | 79% | 0.785 | 68% | 0.676 | S | S | * | * | trans | -63.8 | 117.5 | 162.5 | -58.3 | 176 | 0 | 0 | 0 | 106.2 | T150 E154 | T150-I152 PolarHBondContact O-N 2.98Å; I152-E154 PolarHBondContact O-N 3.38Å | ||
| 153 | K | 51.8 | Low | 47.6 | Very low | 195 Ų | 195 | 121.4 Ų | 121.4 | 85% | 0.848 | 66% | 0.661 | S | S | * | * | trans | -64.8 | 120.1 | 166.7 | -92.2 | -173.8 | 170 | -174.3 | 0 | 107.5 | K151 E155 | K151-K153 PolarHBondContact O-N 2.98Å; K153-E155 PolarHBondContact O-N 3.45Å | ||
| 154 | E | 46.6 | Very low | 49.1 | Very low | 179 Ų | 179 | 117.8 Ų | 117.8 | 84% | 0.836 | 65% | 0.648 | S | S | * | * | trans | -67.4 | 98.6 | 169 | -63.2 | -169.8 | 132.5 | 0 | 0 | 108.8 | I152 S156 | I152-E154 PolarHBondContact O-N 3.38Å; E154-S156 PolarHBondContact O-N 3.27Å | ||
| 155 | E | 46.3 | Very low | 50.9 | Low | 93 Ų | 93 | 121.6 Ų | 121.6 | 44% | 0.435 | 64% | 0.64 | S | S | . | * | trans | -63.9 | 125.3 | 171.7 | -178.5 | 165.5 | -153.3 | 0 | 0 | 108.7 | K153 D159 R160 | K153-E155 PolarHBondContact O-N 3.45Å; E155-D159 HydrophobicContact CG-CB 3.53Å; E155-R160 HydrophobicContact CG-CG 4.44Å; E155-R160 VanDerWaalsContact O-CZ 3.27Å; E155-R160 PolarHBondContact O-NE 3.01Å; E155-R160 PolarHBondContact O-NH2 3.08Å | ||
| 156 | S | 44.8 | Very low | 52.5 | Low | 56 Ų | 56 | 115.9 Ų | 115.9 | 39% | 0.392 | 62% | 0.616 | S | S | . | * | trans | -67.3 | 154.5 | -163.6 | -48.9 | 0 | 0 | 0 | 0 | 110.8 | E154 P158 D159 R160 | E154-S156 PolarHBondContact O-N 3.27Å; S156-P158 VanDerWaalsContact C-CD 3.48Å; S156-P158 VanDerWaalsContact C-N 3.34Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact N-OD2 3.25Å; S156-D159 WeakPolarHBondContact O-CB 3.43Å; S156-D159 PolarHBondContact O-N 2.95Å; S156-D159 PolarHBondContact OG-OD2 2.93Å; S156-R160 PolarHBondContact O-N 2.98Å | ||
| 157 | P | 52.2 | Low | 54.2 | Low | 90 Ų | 90 | 109.8 Ų | 109.8 | 58% | 0.584 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -46.6 | -44.4 | 175 | -29.3 | 36.1 | 0 | 0 | 0 | 115.6 | R160 I161 | P157-R160 PolarHBondContact O-N 2.97Å; P157-I161 VanDerWaalsContact O-CG1 3.31Å; P157-I161 WeakPolarHBondContact O-CG1 3.5Å; P157-I161 PolarHBondContact O-N 3.49Å; P157-I161 VanDerWaalsContact O-N 3.11Å |
| 158 | P | 57.5 | Low | 56.2 | Low | 79 Ų | 79 | 108 Ų | 108 | 51% | 0.513 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -62.8 | -41.1 | 174.1 | 23.8 | -35 | 0 | 0 | 0 | 113.4 | S156 R160 I161 V162 | S156-P158 VanDerWaalsContact C-CD 3.48Å; S156-P158 VanDerWaalsContact C-N 3.34Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.48Å; P158-I161 PolarHBondContact O-N 3.02Å; P158-I161 VanDerWaalsContact O-N 3.11Å; P158-V162 WeakPolarHBondContact O-CG2 3.44Å; P158-V162 PolarHBondContact O-N 3.05Å |
| 159 | D | 60.3 | Low | 57.7 | Low | 72 Ų | 72 | 105.1 Ų | 105.1 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.3 | -44.4 | 179.8 | -53 | -37.3 | 0 | 0 | 0 | 110.4 | E155 S156 I161 V162 A163 | E155-D159 HydrophobicContact CG-CB 3.53Å; S156-D159 WeakPolarHBondContact CB-OD2 3.38Å; S156-D159 PolarHBondContact N-OD2 3.25Å; S156-D159 WeakPolarHBondContact O-CB 3.43Å; S156-D159 PolarHBondContact O-N 2.95Å; S156-D159 PolarHBondContact OG-OD2 2.93Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 2.91Å; D159-V162 PolarHBondContact O-N 2.78Å; D159-A163 VanDerWaalsContact O-CB 3.32Å; D159-A163 WeakPolarHBondContact O-CB 3.45Å; D159-A163 PolarHBondContact O-N 3.12Å |
| 160 | R | 60.9 | Low | 59 | Low | 134 Ų | 134 | 101.1 Ų | 101.1 | 51% | 0.506 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61.4 | -36 | 173.5 | -94.6 | 179.6 | -83.6 | 177.8 | -7.6 | 113.3 | E155 S156 P157 P158 S164 | E155-R160 HydrophobicContact CG-CG 4.44Å; E155-R160 VanDerWaalsContact O-CZ 3.27Å; E155-R160 PolarHBondContact O-NE 3.01Å; E155-R160 PolarHBondContact O-NH2 3.08Å; S156-R160 PolarHBondContact O-N 2.98Å; P157-R160 PolarHBondContact O-N 2.97Å; P158-R160 VanDerWaalsContact C-N 3.34Å; P158-R160 PolarHBondContact O-N 3.48Å; R160-S164 VanDerWaalsContact O-CB 3.29Å; R160-S164 WeakPolarHBondContact O-CB 3.35Å; R160-S164 PolarHBondContact O-N 3.32Å; R160-S164 PolarHBondContact O-OG 3.47Å |
| 161 | I | 66.7 | Low | 60.4 | Low | 118 Ų | 118 | 98.6 Ų | 98.6 | 61% | 0.605 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.8 | -44.4 | 175.4 | -68.2 | 164.1 | 0 | 0 | 0 | 110.6 | P157 P158 D159 S164 Y165 | P157-I161 VanDerWaalsContact O-CG1 3.31Å; P157-I161 WeakPolarHBondContact O-CG1 3.5Å; P157-I161 PolarHBondContact O-N 3.49Å; P157-I161 VanDerWaalsContact O-N 3.11Å; P158-I161 PolarHBondContact O-N 3.02Å; P158-I161 VanDerWaalsContact O-N 3.11Å; D159-I161 VanDerWaalsContact C-N 3.33Å; D159-I161 PolarHBondContact O-N 2.91Å; I161-S164 PolarHBondContact O-N 3.38Å; I161-Y165 WeakPolarHBondContact O-CB 3.4Å; I161-Y165 PolarHBondContact O-N 2.99Å |
| 162 | V | 74.3 | Confident | 61.7 | Low | 94 Ų | 94 | 91.2 Ų | 91.2 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.6 | -43.9 | 177 | 172.1 | 0 | 0 | 0 | 0 | 111 | P158 D159 Y165 A166 | P158-V162 WeakPolarHBondContact O-CG2 3.44Å; P158-V162 PolarHBondContact O-N 3.05Å; D159-V162 PolarHBondContact O-N 2.78Å; V162-Y165 PolarHBondContact O-N 2.98Å; V162-A166 WeakPolarHBondContact O-CB 3.3Å; V162-A166 PolarHBondContact O-N 3.3Å |
| 163 | A | 67.7 | Low | 62.3 | Low | 38 Ų | 38 | 84.9 Ų | 84.9 | 31% | 0.314 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.9 | -41.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112 | D159 A166 A167 | D159-A163 VanDerWaalsContact O-CB 3.32Å; D159-A163 WeakPolarHBondContact O-CB 3.45Å; D159-A163 PolarHBondContact O-N 3.12Å; A163-A166 PolarHBondContact O-N 3.03Å; A163-A167 VanDerWaalsContact O-CB 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.23Å; A163-A167 PolarHBondContact O-N 2.81Å |
| 164 | S | 67.6 | Low | 62.7 | Low | 79 Ų | 79 | 80.3 Ų | 80.3 | 55% | 0.552 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -65.2 | -40.3 | 175.6 | -59.6 | 0 | 0 | 0 | 0 | 112 | R160 I161 A167 A168 | R160-S164 VanDerWaalsContact O-CB 3.29Å; R160-S164 WeakPolarHBondContact O-CB 3.35Å; R160-S164 PolarHBondContact O-N 3.32Å; R160-S164 PolarHBondContact O-OG 3.47Å; I161-S164 PolarHBondContact O-N 3.38Å; S164-A167 PolarHBondContact O-N 3.25Å; S164-A168 WeakPolarHBondContact O-CB 3.46Å; S164-A168 PolarHBondContact O-N 2.82Å |
| 165 | Y | 70 | Confident | 63.2 | Low | 156 Ų | 156 | 75.6 Ų | 75.6 | 61% | 0.612 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -67.5 | -41.9 | 175.9 | -171.6 | -97.9 | 0 | 0 | 0 | 111.9 | I123 I161 V162 A168 A169 | I123-Y165 HydrophobicContact CD1-CE2 4.49Å; I161-Y165 WeakPolarHBondContact O-CB 3.4Å; I161-Y165 PolarHBondContact O-N 2.99Å; V162-Y165 PolarHBondContact O-N 2.98Å; Y165-A168 PolarHBondContact O-N 2.98Å; Y165-A169 VanDerWaalsContact O-CB 3.29Å; Y165-A169 WeakPolarHBondContact O-CB 3.5Å; Y165-A169 PolarHBondContact O-N 3.03Å |
| 166 | A | 71.8 | Confident | 63.6 | Low | 39 Ų | 39 | 75.3 Ų | 75.3 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.3 | -41.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112 | V162 A163 A169 H170 | V162-A166 WeakPolarHBondContact O-CB 3.3Å; V162-A166 PolarHBondContact O-N 3.3Å; A163-A166 PolarHBondContact O-N 3.03Å; A166-A169 PolarHBondContact O-N 3.05Å; A166-H170 VanDerWaalsContact O-CB 3.28Å; A166-H170 WeakPolarHBondContact O-CB 3.41Å; A166-H170 PolarHBondContact O-N 3.06Å |
| 167 | A | 72.8 | Confident | 64.1 | Low | 56 Ų | 56 | 81 Ų | 81 | 46% | 0.463 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A163 S164 H170 A171 | A163-A167 VanDerWaalsContact O-CB 3.32Å; A163-A167 WeakPolarHBondContact O-CB 3.23Å; A163-A167 PolarHBondContact O-N 2.81Å; S164-A167 PolarHBondContact O-N 3.25Å; A167-H170 PolarHBondContact O-N 3.4Å; A167-A171 WeakPolarHBondContact O-CB 3.5Å; A167-A171 PolarHBondContact O-N 3.06Å |
| 168 | A | 73.6 | Confident | 64.2 | Low | 61 Ų | 61 | 83 Ų | 83 | 50% | 0.504 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S164 Y165 A171 A172 | S164-A168 WeakPolarHBondContact O-CB 3.46Å; S164-A168 PolarHBondContact O-N 2.82Å; Y165-A168 PolarHBondContact O-N 2.98Å; A168-A171 PolarHBondContact O-N 2.99Å; A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.46Å |
| 169 | A | 69.3 | Low | 63.8 | Low | 49 Ų | 49 | 85.2 Ų | 85.2 | 41% | 0.405 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -38.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y165 A166 A172 A173 | Y165-A169 VanDerWaalsContact O-CB 3.29Å; Y165-A169 WeakPolarHBondContact O-CB 3.5Å; Y165-A169 PolarHBondContact O-N 3.03Å; A166-A169 PolarHBondContact O-N 3.05Å; A169-A172 PolarHBondContact O-N 2.78Å; A169-A173 WeakPolarHBondContact O-CB 3.42Å; A169-A173 PolarHBondContact O-N 3.32Å |
| 170 | H | 62 | Low | 63.4 | Low | 66 Ų | 66 | 84.1 Ų | 84.1 | 31% | 0.306 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.9 | -44 | 174.2 | -175.1 | -91.8 | 0 | 0 | 0 | 111.9 | A166 A167 A172 A173 L174 L188 | A166-H170 VanDerWaalsContact O-CB 3.28Å; A166-H170 WeakPolarHBondContact O-CB 3.41Å; A166-H170 PolarHBondContact O-N 3.06Å; A167-H170 PolarHBondContact O-N 3.4Å; H170-A172 PolarHBondContact O-N 3.18Å; H170-A173 PolarHBondContact O-N 3.36Å; H170-L174 WeakPolarHBondContact O-CG 3.29Å; H170-L174 PolarHBondContact O-N 2.83Å; H170-L188 HydrophobicContact CB-CD1 4.27Å; H170-L188 WeakPolarHBondContact CD2-CD1 3.31Å |
| 171 | A | 68.6 | Low | 63.4 | Low | 56 Ų | 56 | 81.2 Ų | 81.2 | 46% | 0.463 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | A167 A168 A175 | A167-A171 WeakPolarHBondContact O-CB 3.5Å; A167-A171 PolarHBondContact O-N 3.06Å; A168-A171 PolarHBondContact O-N 2.99Å; A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.24Å; A171-A175 PolarHBondContact O-N 3.33Å |
| 172 | A | 64.4 | Low | 62.6 | Low | 53 Ų | 53 | 85.9 Ų | 85.9 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.8 | -42.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A168 A169 H170 L174 A175 C176 | A168-A172 WeakPolarHBondContact O-CB 3.49Å; A168-A172 PolarHBondContact O-N 3.46Å; A169-A172 PolarHBondContact O-N 2.78Å; H170-A172 PolarHBondContact O-N 3.18Å; A172-L174 PolarHBondContact O-N 3.03Å; A172-A175 PolarHBondContact O-N 2.95Å; A172-C176 WeakPolarHBondContact O-CB 3.49Å; A172-C176 PolarHBondContact O-N 3.5Å; A172-C176 PolarHBondContact O-SG 3.25Å |
| 173 | A | 58.4 | Low | 61.9 | Low | 19 Ų | 19 | 84.5 Ų | 84.5 | 16% | 0.157 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A169 H170 C176 H177 Q178 I180 | A169-A173 WeakPolarHBondContact O-CB 3.42Å; A169-A173 PolarHBondContact O-N 3.32Å; H170-A173 PolarHBondContact O-N 3.36Å; A173-C176 PolarHBondContact O-N 3.46Å; A173-H177 PolarHBondContact O-N 3.05Å; A173-H177 VanDerWaalsContact O-N 3.1Å; A173-Q178 PolarHBondContact O-N 3.41Å; A173-I180 HydrophobicContact CB-CG1 3.86Å |
| 174 | L | 60.7 | Low | 61.3 | Low | 100 Ų | 100 | 84.4 Ų | 84.4 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.3 | -47.2 | 173.6 | -70.6 | 175.5 | 0 | 0 | 0 | 112.1 | H170 A172 C176 H177 I180 | H170-L174 WeakPolarHBondContact O-CG 3.29Å; H170-L174 PolarHBondContact O-N 2.83Å; A172-L174 PolarHBondContact O-N 3.03Å; L174-C176 VanDerWaalsContact C-N 3.29Å; L174-C176 PolarHBondContact O-N 3.47Å; L174-H177 PolarHBondContact O-N 2.84Å; L174-I180 HydrophobicContact CD2-CD1 4.2Å; L174-I180 HydrophobicContact CG-CD1 4.48Å |
| 175 | A | 57.9 | Low | 60.7 | Low | 80 Ų | 80 | 86.2 Ų | 86.2 | 66% | 0.661 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.6 | -28.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A171 A172 | A171-A175 VanDerWaalsContact O-CB 3.3Å; A171-A175 WeakPolarHBondContact O-CB 3.24Å; A171-A175 PolarHBondContact O-N 3.33Å; A172-A175 PolarHBondContact O-N 2.95Å |
| 176 | C | 53.4 | Low | 60.1 | Low | 86 Ų | 86 | 81.3 Ų | 81.3 | 58% | 0.581 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.1 | 7.6 | 176.7 | -64.3 | 0 | 0 | 0 | 0 | 113.7 | A172 A173 L174 Q178 | A172-C176 WeakPolarHBondContact O-CB 3.49Å; A172-C176 PolarHBondContact O-N 3.5Å; A172-C176 PolarHBondContact O-SG 3.25Å; A173-C176 PolarHBondContact O-N 3.46Å; L174-C176 VanDerWaalsContact C-N 3.29Å; L174-C176 PolarHBondContact O-N 3.47Å; C176-Q178 HydrophobicContact CB-CG 4.13Å; C176-Q178 PolarHBondContact O-N 3.11Å; C176-Q178 VanDerWaalsContact O-N 3.1Å |
| 177 | H | 56.9 | Low | 59.5 | Low | 177 Ų | 177 | 87.3 Ų | 87.3 | 82% | 0.819 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 29.5 | -174.2 | -59.1 | -52.9 | 0 | 0 | 0 | 114.7 | A173 L174 | A173-H177 PolarHBondContact O-N 3.05Å; A173-H177 VanDerWaalsContact O-N 3.1Å; L174-H177 PolarHBondContact O-N 2.84Å |
| 178 | Q | 54.2 | Low | 58.9 | Low | 131 Ų | 131 | 87.6 Ų | 87.6 | 61% | 0.612 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -86.2 | 138.8 | 178.9 | -68.3 | -165 | -7.5 | 0 | 0 | 110.9 | A173 C176 I180 | A173-Q178 PolarHBondContact O-N 3.41Å; C176-Q178 HydrophobicContact CB-CG 4.13Å; C176-Q178 PolarHBondContact O-N 3.11Å; C176-Q178 VanDerWaalsContact O-N 3.1Å; Q178-I180 PolarHBondContact O-N 3.35Å |
| 179 | P | 48.8 | Very low | 58.2 | Low | 126 Ų | 126 | 87.2 Ų | 87.2 | 82% | 0.818 | 50% | 0.504 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 118.9 | 178.3 | 27 | -33.7 | 0 | 0 | 0 | 110.2 | S181 | P179-S181 PolarHBondContact O-N 3.06Š|
| 180 | I | 51.7 | Low | 57.7 | Low | 49 Ų | 49 | 89.1 Ų | 89.1 | 25% | 0.251 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 132.3 | 175.5 | -64.5 | 156.2 | 0 | 0 | 0 | 108.4 | A173 L174 Q178 A184 E185 | A173-I180 HydrophobicContact CB-CG1 3.86Å; L174-I180 HydrophobicContact CD2-CD1 4.2Å; L174-I180 HydrophobicContact CG-CD1 4.48Å; Q178-I180 PolarHBondContact O-N 3.35Å; I180-A184 HydrophobicContact CG2-CB 3.81Å; I180-E185 HydrophobicContact CG2-CG 4.06Å |
| 181 | S | 60.9 | Low | 57.3 | Low | 72 Ų | 72 | 90 Ų | 90 | 50% | 0.503 | 52% | 0.518 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 144 | -178.9 | 76.1 | 0 | 0 | 0 | 0 | 110.7 | P179 A183 A184 E185 | P179-S181 PolarHBondContact O-N 3.06Å; S181-A183 PolarHBondContact O-N 2.98Å; S181-A184 WeakPolarHBondContact O-CA 3.49Å; S181-A184 WeakPolarHBondContact O-CB 3.42Å; S181-A184 PolarHBondContact O-N 2.72Å; S181-A184 PolarHBondContact OG-N 3.06Å; S181-E185 PolarHBondContact O-N 3.23Å |
| 182 | R | 50.3 | Low | 56.5 | Low | 217 Ų | 217 | 91.2 Ų | 91.2 | 82% | 0.819 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.4 | -22.1 | -179 | -151.2 | 179 | -166.8 | -173.5 | 4.1 | 113.6 | A186 | R182-A186 WeakPolarHBondContact O-CB 3.48Å; R182-A186 PolarHBondContact O-N 3.21Å; R182-A186 VanDerWaalsContact O-N 3.13Å |
| 183 | A | 59.1 | Low | 55.6 | Low | 64 Ų | 64 | 98.2 Ų | 98.2 | 53% | 0.529 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -76.4 | -36 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | S181 A186 Y187 | S181-A183 PolarHBondContact O-N 2.98Å; A183-A186 PolarHBondContact O-N 2.89Å; A183-Y187 PolarHBondContact O-N 3.32Å |
| 184 | A | 54.7 | Low | 54.9 | Low | 37 Ų | 37 | 104.3 Ų | 104.3 | 31% | 0.306 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -71.5 | -40.3 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | I180 S181 A186 Y187 L188 | I180-A184 HydrophobicContact CG2-CB 3.81Å; S181-A184 WeakPolarHBondContact O-CA 3.49Å; S181-A184 WeakPolarHBondContact O-CB 3.42Å; S181-A184 PolarHBondContact O-N 2.72Å; S181-A184 PolarHBondContact OG-N 3.06Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 3.05Å; A184-Y187 PolarHBondContact O-N 3.47Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 2.87Å |
| 185 | E | 54.7 | Low | 53.9 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -55.3 | -48.1 | 167.7 | -74.9 | -169.5 | 125.3 | 0 | 0 | 111.2 | I180 S181 Y187 L188 A189 | I180-E185 HydrophobicContact CG2-CG 4.06Å; S181-E185 PolarHBondContact O-N 3.23Å; E185-Y187 PolarHBondContact O-N 3.4Å; E185-L188 PolarHBondContact O-N 2.98Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 2.92Å |
| 186 | A | 58.1 | Low | 52.7 | Low | 53 Ų | 53 | 111.5 Ų | 111.5 | 44% | 0.438 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -60.5 | -41.7 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | R182 A183 A184 A189 T190 | R182-A186 WeakPolarHBondContact O-CB 3.48Å; R182-A186 PolarHBondContact O-N 3.21Å; R182-A186 VanDerWaalsContact O-N 3.13Å; A183-A186 PolarHBondContact O-N 2.89Å; A184-A186 VanDerWaalsContact C-N 3.33Å; A184-A186 PolarHBondContact O-N 3.05Å; A186-A189 PolarHBondContact O-N 3.05Å; A186-T190 WeakPolarHBondContact O-CG2 3.44Å; A186-T190 PolarHBondContact O-N 2.88Å; A186-T190 PolarHBondContact O-OG1 3.2Å |
| 187 | Y | 58.4 | Low | 51.9 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 65% | 0.651 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -67.9 | -36.9 | 176.9 | -103.9 | -85.5 | 0 | 0 | 0 | 113.4 | A183 A184 E185 T190 N191 | A183-Y187 PolarHBondContact O-N 3.32Å; A184-Y187 PolarHBondContact O-N 3.47Å; E185-Y187 PolarHBondContact O-N 3.4Å; Y187-T190 PolarHBondContact O-OG1 3.46Å; Y187-T190 VanDerWaalsContact O-OG1 3.06Å; Y187-N191 PolarHBondContact O-N 3.06Å; Y187-N191 VanDerWaalsContact O-N 3.16Å |
| 188 | L | 60.8 | Low | 50.9 | Low | 62 Ų | 62 | 118.5 Ų | 118.5 | 33% | 0.325 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -74.2 | -34.5 | 175.8 | -66.6 | 170.3 | 0 | 0 | 0 | 111.3 | H170 A184 E185 S192 | H170-L188 HydrophobicContact CB-CD1 4.27Å; H170-L188 WeakPolarHBondContact CD2-CD1 3.31Å; A184-L188 WeakPolarHBondContact O-CG 3.45Å; A184-L188 PolarHBondContact O-N 2.87Å; E185-L188 PolarHBondContact O-N 2.98Å; L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.96Å; L188-S192 VanDerWaalsContact O-N 3.12Å; L188-S192 PolarHBondContact O-OG 3.46Å |
| 189 | A | 58.5 | Low | 50.1 | Low | 53 Ų | 53 | 116.3 Ų | 116.3 | 44% | 0.438 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67.9 | -31.2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113 | E185 A186 S192 Y193 | E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 2.92Å; A186-A189 PolarHBondContact O-N 3.05Å; A189-S192 PolarHBondContact O-OG 3.3Å; A189-Y193 WeakPolarHBondContact O-CD2 3.49Å; A189-Y193 WeakPolarHBondContact O-CE2 3.38Å |
| 190 | T | 59.5 | Low | 49.6 | Very low | 88 Ų | 88 | 120.5 Ų | 120.5 | 54% | 0.54 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -79.5 | -44.7 | 175.2 | 49.9 | 0 | 0 | 0 | 0 | 112.7 | A186 Y187 S192 | A186-T190 WeakPolarHBondContact O-CG2 3.44Å; A186-T190 PolarHBondContact O-N 2.88Å; A186-T190 PolarHBondContact O-OG1 3.2Å; Y187-T190 PolarHBondContact O-OG1 3.46Å; Y187-T190 VanDerWaalsContact O-OG1 3.06Å; T190-S192 PolarHBondContact O-N 3.31Å |
| 191 | N | 53.4 | Low | 48.6 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 46% | 0.46 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -74.1 | -23.5 | -177.8 | -84.6 | 15.5 | 0 | 0 | 0 | 114.2 | Y187 Y193 N194 | Y187-N191 PolarHBondContact O-N 3.06Å; Y187-N191 VanDerWaalsContact O-N 3.16Å; N191-Y193 PolarHBondContact O-N 3.29Å; N191-Y193 VanDerWaalsContact O-N 3.12Å; N191-N194 PolarHBondContact O-N 2.78Å |
| 192 | S | 52.6 | Low | 47.3 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 56% | 0.559 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -65.6 | -12.2 | -179.7 | 48.8 | 0 | 0 | 0 | 0 | 115.1 | L188 A189 T190 N194 | L188-S192 WeakPolarHBondContact O-CB 3.41Å; L188-S192 PolarHBondContact O-N 2.96Å; L188-S192 VanDerWaalsContact O-N 3.12Å; L188-S192 PolarHBondContact O-OG 3.46Å; A189-S192 PolarHBondContact O-OG 3.3Å; T190-S192 PolarHBondContact O-N 3.31Å; S192-N194 VanDerWaalsContact C-N 3.35Å; S192-N194 PolarHBondContact O-N 3.02Å |
| 193 | Y | 44.5 | Very low | 46.5 | Very low | 201 Ų | 201 | 131 Ų | 131 | 79% | 0.788 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -75.4 | -13.3 | 176.9 | -77.1 | -80.5 | 0 | 0 | 0 | 115.3 | A189 N191 | A189-Y193 WeakPolarHBondContact O-CD2 3.49Å; A189-Y193 WeakPolarHBondContact O-CE2 3.38Å; N191-Y193 PolarHBondContact O-N 3.29Å; N191-Y193 VanDerWaalsContact O-N 3.12Å |
| 194 | N | 44.9 | Very low | 45.2 | Very low | 146 Ų | 146 | 131.8 Ų | 131.8 | 78% | 0.781 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -91.2 | -3.1 | -176.5 | -80 | -48.5 | 0 | 0 | 0 | 115.4 | N191 S192 S196 | N191-N194 PolarHBondContact O-N 2.78Å; S192-N194 VanDerWaalsContact C-N 3.35Å; S192-N194 PolarHBondContact O-N 3.02Å; N194-S196 PolarHBondContact O-N 3.37Å |
| 195 | R | 37.7 | Very low | 44.3 | Very low | 228 Ų | 228 | 135 Ų | 135 | 86% | 0.86 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -82.7 | 113.1 | 176.4 | -140.2 | 175.4 | -160.7 | -114.4 | 1.6 | 110.6 | R197 | R195-R197 PolarHBondContact O-N 2.96Å; R195-R197 VanDerWaalsContact O-N 3.13Å |
| 196 | S | 33.6 | Very low | 43.2 | Very low | 103 Ų | 103 | 136.6 Ų | 136.6 | 72% | 0.72 | 69% | 0.686 | S | S | * | * | trans | -46.2 | 110.7 | -169.5 | -173.2 | 0 | 0 | 0 | 0 | 114.6 | N194 H198 | N194-S196 PolarHBondContact O-N 3.37Å; S196-H198 PolarHBondContact O-N 2.77Å | ||
| 197 | R | 36.8 | Very low | 41.9 | Very low | 240 Ų | 240 | 144.2 Ų | 144.2 | 91% | 0.906 | 71% | 0.705 | S | S | * | * | trans | -90.9 | 87.6 | 166.6 | -70.4 | -171.4 | 179 | -161.4 | 0.6 | 109.5 | R195 S199 | R195-R197 PolarHBondContact O-N 2.96Å; R195-R197 VanDerWaalsContact O-N 3.13Å; R197-S199 PolarHBondContact O-N 3.23Å | ||
| 198 | H | 36.5 | Very low | 40.5 | Very low | 171 Ų | 171 | 144.2 Ų | 144.2 | 79% | 0.792 | 72% | 0.715 | S | S | * | * | trans | -63.1 | 128.2 | 171.4 | -116.4 | -90.1 | 0 | 0 | 0 | 110.6 | S196 | S196-H198 PolarHBondContact O-N 2.77Š| ||
| 199 | S | 36.4 | Very low | 39.1 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 59% | 0.594 | 73% | 0.734 | S | S | * | * | trans | -90.8 | 134.1 | -159.6 | 173.2 | 0 | 0 | 0 | 0 | 113.8 | R197 R201 | R197-S199 PolarHBondContact O-N 3.23Å; S199-R201 WeakPolarHBondContact OG-CB 3.35Å; S199-R201 PolarHBondContact OG-N 2.96Å | ||
| 200 | K | 38.2 | Very low | 37.7 | Very low | 213 Ų | 213 | 148.9 Ų | 148.9 | 93% | 0.926 | 75% | 0.75 | S | S | * | * | trans | -126.1 | 68.9 | 140.1 | -75.7 | -163.1 | 176.6 | -178.4 | 0 | 110.7 | P202 | K200-P202 VanDerWaalsContact O-CD 3.31Å; K200-P202 WeakPolarHBondContact O-CD 3.41Å | ||
| 201 | R | 32.2 | Very low | 36.4 | Very low | 201 Ų | 201 | 150.4 Ų | 150.4 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 116.8 | 172.7 | 173.7 | -177 | -171.6 | -171.4 | 6.3 | 112.2 | S199 | S199-R201 WeakPolarHBondContact OG-CB 3.35Å; S199-R201 PolarHBondContact OG-N 2.96Å |
| 202 | P | 32.2 | Very low | 35.3 | Very low | 118 Ų | 118 | 151.8 Ų | 151.8 | 77% | 0.766 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 142.7 | 153.3 | -12 | 29.2 | 0 | 0 | 0 | 108.6 | K200 A204 | K200-P202 VanDerWaalsContact O-CD 3.31Å; K200-P202 WeakPolarHBondContact O-CD 3.41Å; P202-A204 PolarHBondContact O-N 2.94Å |
| 203 | R | 33.1 | Very low | 34.3 | Very low | 239 Ų | 239 | 155.4 Ų | 155.4 | 90% | 0.902 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 137.8 | 176.3 | -75.8 | -179.4 | 166.6 | 105.7 | -5.5 | 109.9 | ||
| 204 | A | 32.4 | Very low | 33.6 | Very low | 81 Ų | 81 | 150.7 Ų | 150.7 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 132.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | P202 | P202-A204 PolarHBondContact O-N 2.94Š|
| 205 | S | 35 | Very low | 32.9 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 133 | 163.3 | -169.8 | 0 | 0 | 0 | 0 | 108 | Y207 | S205-Y207 PolarHBondContact O-N 3.34Š|
| 206 | N | 31.9 | Very low | 32.7 | Very low | 150 Ų | 150 | 145.1 Ų | 145.1 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -79 | 113.8 | -178.5 | -65.8 | -27.1 | 0 | 0 | 0 | 109.8 | ||||
| 207 | Y | 32.3 | Very low | 32.6 | Very low | 214 Ų | 214 | 146.3 Ų | 146.3 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -122.6 | 117.6 | 157.9 | -95.4 | -92 | 0 | 0 | 0 | 108.7 | S205 A209 | S205-Y207 PolarHBondContact O-N 3.34Å; Y207-A209 PolarHBondContact O-N 3.45Å | ||
| 208 | L | 27.9 | Very low | 32.4 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -75.2 | 117.1 | 170.6 | -117.8 | 72.8 | 0 | 0 | 0 | 108.3 | ||||
| 209 | A | 32.4 | Very low | 32.2 | Very low | 87 Ų | 87 | 139.6 Ų | 139.6 | 72% | 0.719 | 78% | 0.776 | S | S | * | * | trans | -122.3 | 94.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | Y207 V211 | Y207-A209 PolarHBondContact O-N 3.45Å; A209-V211 PolarHBondContact O-N 2.91Å; A209-V211 VanDerWaalsContact O-N 3.09Å | ||
| 210 | T | 28.8 | Very low | 31.8 | Very low | 126 Ų | 126 | 143.4 Ų | 143.4 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -71.5 | 101.3 | 178.2 | -54.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 211 | V | 31 | Very low | 31.4 | Very low | 121 Ų | 121 | 138.2 Ų | 138.2 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | -97.6 | 107.7 | 170.6 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | A209 I213 | A209-V211 PolarHBondContact O-N 2.91Å; A209-V211 VanDerWaalsContact O-N 3.09Å; V211-I213 PolarHBondContact O-N 3.33Å | ||
| 212 | T | 30.2 | Very low | 31.3 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | trans | -67.3 | 120.2 | 175 | -51.4 | 0 | 0 | 0 | 0 | 109.8 | S214 | T212-S214 PolarHBondContact O-N 3.48Š| ||
| 213 | I | 32.5 | Very low | 31.2 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 80% | 0.795 | 78% | 0.781 | S | S | * | * | trans | -80.3 | 104.7 | 177 | -57 | 175.2 | 0 | 0 | 0 | 108.9 | V211 | V211-I213 PolarHBondContact O-N 3.33Š| ||
| 214 | S | 30.4 | Very low | 31.1 | Very low | 103 Ų | 103 | 130 Ų | 130 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -101.4 | 133.8 | 165.9 | -67.7 | 0 | 0 | 0 | 0 | 109.7 | T212 T216 | T212-S214 PolarHBondContact O-N 3.48Å; S214-T216 PolarHBondContact O-N 3.45Å | ||
| 215 | T | 29.6 | Very low | 30.9 | Very low | 136 Ų | 136 | 133.5 Ų | 133.5 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -83.7 | 114.2 | -168.6 | 49.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 216 | T | 34.4 | Very low | 30.8 | Very low | 121 Ų | 121 | 134 Ų | 134 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -133.9 | 148.3 | 155.3 | 48.8 | 0 | 0 | 0 | 0 | 110.5 | S214 N218 | S214-T216 PolarHBondContact O-N 3.45Å; T216-N218 PolarHBondContact O-N 3.32Å | ||
| 217 | S | 29.7 | Very low | 30.5 | Very low | 128 Ų | 128 | 137.2 Ų | 137.2 | 90% | 0.895 | 78% | 0.782 | S | S | * | * | trans | -85.9 | 88.8 | -163.6 | -53.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 218 | N | 33 | Very low | 30.5 | Very low | 142 Ų | 142 | 131.5 Ų | 131.5 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | -92.6 | 133.3 | 173.6 | -73.2 | 1 | 0 | 0 | 0 | 112.2 | T216 | T216-N218 PolarHBondContact O-N 3.32Š| ||
| 219 | T | 31.9 | Very low | 30.4 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 78% | 0.779 | 77% | 0.765 | S | S | * | * | trans | -66.6 | 137.6 | 173.5 | 45 | 0 | 0 | 0 | 0 | 111.4 | S221 | T219-S221 PolarHBondContact O-N 2.92Š| ||
| 220 | L | 29.4 | Very low | 30.4 | Very low | 165 Ų | 165 | 135.6 Ų | 135.6 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | trans | -72.1 | 101.1 | 177.1 | -80 | 74.9 | 0 | 0 | 0 | 111 | ||||
| 221 | S | 30.2 | Very low | 30.5 | Very low | 104 Ų | 104 | 136.9 Ų | 136.9 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | trans | -86.7 | 119.4 | 157.5 | -63.3 | 0 | 0 | 0 | 0 | 108.8 | T219 S223 | T219-S221 PolarHBondContact O-N 2.92Å; S221-S223 PolarHBondContact O-N 3.34Å; S221-S223 VanDerWaalsContact O-N 3.07Å | ||
| 222 | T | 28.9 | Very low | 30.2 | Very low | 128 Ų | 128 | 137 Ų | 137 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | -82.1 | 80.9 | 179.9 | 51.7 | 0 | 0 | 0 | 0 | 111.6 | L224 | T222-L224 PolarHBondContact O-N 2.84Š| ||
| 223 | S | 30.6 | Very low | 30.2 | Very low | 108 Ų | 108 | 136.9 Ų | 136.9 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | -73.2 | 119.5 | 164.5 | 44.8 | 0 | 0 | 0 | 0 | 110.2 | S221 D225 | S221-S223 PolarHBondContact O-N 3.34Å; S221-S223 VanDerWaalsContact O-N 3.07Å; S223-D225 PolarHBondContact O-N 3.37Å; S223-D225 VanDerWaalsContact O-N 3.15Å | ||
| 224 | L | 31 | Very low | 30.1 | Very low | 149 Ų | 149 | 134.2 Ų | 134.2 | 78% | 0.78 | 78% | 0.776 | S | S | * | * | trans | -78.9 | 95.9 | 170.2 | -101.1 | 71.9 | 0 | 0 | 0 | 109.3 | T222 T226 | T222-L224 PolarHBondContact O-N 2.84Å; L224-T226 PolarHBondContact O-N 3.19Å; L224-T226 PolarHBondContact O-OG1 3.34Å; L224-T226 VanDerWaalsContact O-OG1 3.05Å | ||
| 225 | D | 28 | Very low | 29.9 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -68.6 | 74.6 | -179.7 | -160.9 | -1.6 | 0 | 0 | 0 | 111.8 | S223 R227 | S223-D225 PolarHBondContact O-N 3.37Å; S223-D225 VanDerWaalsContact O-N 3.15Å; D225-R227 VanDerWaalsContact C-N 3.33Å; D225-R227 PolarHBondContact O-N 3.33Å | ||
| 226 | T | 32.2 | Very low | 30 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | -88.7 | 74.3 | -171.9 | -49.6 | 0 | 0 | 0 | 0 | 109.6 | L224 S228 | L224-T226 PolarHBondContact O-N 3.19Å; L224-T226 PolarHBondContact O-OG1 3.34Å; L224-T226 VanDerWaalsContact O-OG1 3.05Å; T226-S228 PolarHBondContact O-N 2.95Å | ||
| 227 | R | 26.4 | Very low | 29.7 | Very low | 217 Ų | 217 | 137.4 Ų | 137.4 | 82% | 0.819 | 78% | 0.783 | S | S | * | * | trans | -49.4 | 94.4 | 179.5 | -177.7 | -173.5 | 177.2 | 162.7 | 4 | 113.1 | D225 | D225-R227 VanDerWaalsContact C-N 3.33Å; D225-R227 PolarHBondContact O-N 3.33Å | ||
| 228 | S | 32 | Very low | 29.5 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 78% | 0.782 | S | S | * | * | trans | -101.6 | 127.4 | 165.8 | -168.8 | 0 | 0 | 0 | 0 | 109.4 | T226 Y230 | T226-S228 PolarHBondContact O-N 2.95Å; S228-Y230 PolarHBondContact O-N 3.25Å | ||
| 229 | N | 26.8 | Very low | 29.3 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 79% | 0.786 | S | S | * | * | trans | -77 | 109.9 | -176.2 | -64.6 | -40 | 0 | 0 | 0 | 110.4 | ||||
| 230 | Y | 32.6 | Very low | 29.1 | Very low | 212 Ų | 212 | 139.3 Ų | 139.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | trans | -110.5 | 133.5 | 155.1 | -79.3 | -81.3 | 0 | 0 | 0 | 109.9 | S228 | S228-Y230 PolarHBondContact O-N 3.25Š| ||
| 231 | I | 29.6 | Very low | 29 | Very low | 152 Ų | 152 | 136.8 Ų | 136.8 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | -76.4 | 130.2 | -168.9 | -67.9 | 162.6 | 0 | 0 | 0 | 109.5 | S233 | I231-S233 PolarHBondContact O-N 2.94Š| ||
| 232 | S | 24.9 | Very low | 29 | Very low | 125 Ų | 125 | 139.8 Ų | 139.8 | 87% | 0.874 | 78% | 0.778 | S | S | * | * | trans | -67.2 | 101.4 | 166.9 | -55 | 0 | 0 | 0 | 0 | 110 | ||||
| 233 | S | 29.7 | Very low | 29 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | -102.9 | 118.7 | 160.5 | -69.1 | 0 | 0 | 0 | 0 | 107.9 | I231 | I231-S233 PolarHBondContact O-N 2.94Š| ||
| 234 | S | 30.3 | Very low | 29 | Very low | 99 Ų | 99 | 139.4 Ų | 139.4 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -82.8 | 169.4 | -172.5 | 50.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 235 | N | 27.7 | Very low | 29.1 | Very low | 148 Ų | 148 | 137.2 Ų | 137.2 | 79% | 0.791 | 78% | 0.778 | S | S | * | * | trans | 71 | 97.2 | 165.5 | -49.4 | -20.1 | 0 | 0 | 0 | 116.4 | ||||
| 236 | L | 31.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 138.2 Ų | 138.2 | 91% | 0.906 | 78% | 0.778 | S | S | * | * | -151.6 | 146.1 | 120.2 | -104.8 | 166.8 | 0 | 0 | 0 | 108.9 | |||||
| 237 | S | 27.3 | Very low | 29.1 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -91.5 | 136.4 | -164.2 | 49.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 238 | F | 25.7 | Very low | 29.1 | Very low | 201 Ų | 201 | 132 Ų | 132 | 88% | 0.882 | 77% | 0.773 | S | S | * | * | trans | -66.5 | 133.7 | 167.1 | -63.1 | -90.8 | 0 | 0 | 0 | 111.6 | ||||
| 239 | P | 30.2 | Very low | 29.1 | Very low | 129 Ų | 129 | 138 Ų | 138 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -83.7 | 104.3 | 152.2 | 31.9 | -26.9 | 0 | 0 | 0 | 108.9 | ||||
| 240 | S | 25.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 79% | 0.79 | S | S | * | * | trans | -73.8 | 139.5 | 164.5 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 241 | T | 28.5 | Very low | 29.3 | Very low | 113 Ų | 113 | 138.3 Ų | 138.3 | 69% | 0.693 | 79% | 0.788 | S | S | * | * | trans | -170.5 | 133.2 | 145.3 | -90.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 242 | E | 30.3 | Very low | 29.2 | Very low | 166 Ų | 166 | 135.7 Ų | 135.7 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 33.4 | 106.5 | 160.5 | -66.9 | 141.1 | -135.4 | 0 | 0 | 119.5 | ||||
| 243 | S | 28.3 | Very low | 29.9 | Very low | 113 Ų | 113 | 136.4 Ų | 136.4 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | 80.4 | 103.7 | 55.6 | 78.5 | 0 | 0 | 0 | 0 | 116 | |||||
| 244 | S | 31.9 | Very low | 31 | Very low | 115 Ų | 115 | 140.3 Ų | 140.3 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | -158.8 | 101.3 | 161.8 | -167.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 245 | S | 32.2 | Very low | 32.8 | Very low | 104 Ų | 104 | 136 Ų | 136 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | trans | 20.8 | 99 | 164.6 | 63.1 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 246 | E | 30.4 | Very low | 35.2 | Very low | 176 Ų | 176 | 129.8 Ų | 129.8 | 82% | 0.822 | 71% | 0.712 | S | S | * | * | 53.5 | 104.2 | 112.1 | -165.9 | 173.8 | -162.5 | 0 | 0 | 120.3 | |||||
| 247 | A | 29.9 | Very low | 37.7 | Very low | 90 Ų | 90 | 123.4 Ų | 123.4 | 74% | 0.744 | 68% | 0.681 | S | S | * | * | trans | -143.4 | 115.5 | 139.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | Y249 | A247-Y249 PolarHBondContact O-N 2.98Š| ||
| 248 | T | 26.8 | Very low | 40.5 | Very low | 112 Ų | 112 | 120.6 Ų | 120.6 | 69% | 0.687 | 65% | 0.654 | S | S | * | * | trans | -72.4 | 91.5 | -162 | -41.9 | 0 | 0 | 0 | 0 | 114.1 | E250 | T248-E250 HydrophobicContact CG2-CB 4.47Š| ||
| 249 | Y | 31.4 | Very low | 43.3 | Very low | 219 Ų | 219 | 115 Ų | 115 | 86% | 0.859 | 63% | 0.632 | S | S | * | * | trans | -116.1 | 39.4 | 162.8 | -89.3 | -88.9 | 0 | 0 | 0 | 111.1 | A247 E251 | A247-Y249 PolarHBondContact O-N 2.98Å; Y249-E251 PolarHBondContact O-N 3.03Å; Y249-E251 VanDerWaalsContact O-N 3.14Å | ||
| 250 | E | 30.3 | Very low | 46 | Very low | 177 Ų | 177 | 111.1 Ų | 111.1 | 83% | 0.827 | 61% | 0.606 | S | S | * | * | trans | -81.6 | 79 | 177.4 | -75.8 | -67.6 | 162.3 | 0 | 0 | 112.1 | T248 | T248-E250 HydrophobicContact CG2-CB 4.47Š| ||
| 251 | E | 32.5 | Very low | 48.8 | Very low | 168 Ų | 168 | 110.1 Ų | 110.1 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -159.4 | 131.7 | 143.6 | -169.6 | 95.2 | -111.4 | 0 | 0 | 108.8 | Y249 H253 | Y249-E251 PolarHBondContact O-N 3.03Å; Y249-E251 VanDerWaalsContact O-N 3.14Å; E251-H253 PolarHBondContact O-N 3.08Å; E251-H253 VanDerWaalsContact O-N 3.14Å |
| 252 | S | 29.3 | Very low | 51.3 | Low | 98 Ų | 98 | 110.4 Ų | 110.4 | 69% | 0.685 | 58% | 0.584 | S | S | * | * | trans | -82.1 | 95.8 | -169.8 | -170 | 0 | 0 | 0 | 0 | 113.3 | K254 | S252-K254 PolarHBondContact O-N 3.33Š| ||
| 253 | H | 39.2 | Very low | 53.8 | Low | 139 Ų | 139 | 112.4 Ų | 112.4 | 64% | 0.644 | 59% | 0.59 | S | S | * | * | trans | -71.3 | 92.8 | 162 | -68.3 | -27.1 | 0 | 0 | 0 | 110.5 | E251 G255 | E251-H253 PolarHBondContact O-N 3.08Å; E251-H253 VanDerWaalsContact O-N 3.14Å; H253-G255 PolarHBondContact O-N 2.81Å | ||
| 254 | K | 52.3 | Low | 56.5 | Low | 194 Ų | 194 | 109.9 Ų | 109.9 | 84% | 0.843 | 58% | 0.577 | S | S | * | * | trans | -68.9 | 72.1 | 170.3 | -77.9 | -172 | 173.1 | -178.7 | 0 | 111.8 | S252 | S252-K254 PolarHBondContact O-N 3.33Š| ||
| 255 | G | 68.2 | Low | 58.9 | Low | 9 Ų | 9 | 110.7 Ų | 110.7 | 9% | 0.093 | 57% | 0.568 | C | S | . | * | S | Bend | trans | 163 | -162 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | H253 S272 | H253-G255 PolarHBondContact O-N 2.81Å; G255-S272 WeakPolarHBondContact O-CA 3.45Å |
| 256 | W | 78.7 | Confident | 61.4 | Low | 17 Ų | 17 | 109 Ų | 109 | 6% | 0.064 | 55% | 0.55 | C | S | . | * | trans | -86.7 | 159.3 | 171.5 | -65 | 44 | 0 | 0 | 0 | 109 | I270 T271 L277 V283 Y286 L287 F308 L319 V326 | W256-I270 CarbonylContact C-O 3.57Å; W256-I270 WeakPolarHBondContact CA-O 3.31Å; W256-I270 WeakPolarHBondContact CB-O 3.34Å; W256-T271 HydrophobicContact CD2-CG2 4.01Å; W256-T271 HydrophobicContact CE3-CG2 3.9Å; W256-T271 HydrophobicContact CH2-CG2 3.9Å; W256-T271 HydrophobicContact CZ2-CG2 3.98Å; W256-T271 HydrophobicContact CZ3-CG2 3.85Å; W256-L277 HydrophobicContact CE3-CD1 4.42Å; W256-L277 HydrophobicContact CH2-CD1 3.9Å; W256-L277 HydrophobicContact CZ3-CD1 3.54Å; W256-V283 HydrophobicContact CH2-CG1 4.23Å; W256-V283 HydrophobicContact CZ3-CG1 4.34Å; W256-Y286 AromaticContact CH2-CD1 3.76Å; W256-Y286 HydrophobicContact CH2-CD1 3.76Å; W256-Y286 AromaticContact CH2-CE1 3.99Å; W256-Y286 HydrophobicContact CH2-CE1 3.99Å; W256-Y286 AromaticContact CZ2-CD1 3.8Å; W256-Y286 HydrophobicContact CZ2-CD1 3.8Å; W256-Y286 AromaticContact CZ2-CE1 3.55Å; W256-Y286 HydrophobicContact CZ2-CE1 3.55Å; W256-L287 HydrophobicContact CH2-CD2 4.33Å; W256-L287 HydrophobicContact CZ2-CD2 4.12Å; W256-F308 AromaticContact CE3-CE1 3.56Å; W256-F308 HydrophobicContact CE3-CE1 3.56Å; W256-F308 AromaticContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CE1 4.16Å; W256-F308 AromaticContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CZ3-CD1 4.36Å; W256-F308 AromaticContact CZ3-CE1 3.3Å; W256-F308 HydrophobicContact CZ3-CE1 3.3Å; W256-F308 AromaticContact CZ3-CZ 3.51Å; W256-F308 HydrophobicContact CZ3-CZ 3.51Å; W256-L319 WeakPolarHBondContact O-CD2 3.49Å; W256-V326 HydrophobicContact CZ2-CG2 4.44Å | ||
| 257 | T | 81.9 | Confident | 64.1 | Low | 40 Ų | 40 | 100.7 Ų | 100.7 | 25% | 0.245 | 51% | 0.512 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 136.8 | 177.7 | -63.6 | 0 | 0 | 0 | 0 | 110.1 | L259 Y269 I270 | T257-L259 HydrophobicContact CG2-CD2 4.21Å; T257-Y269 CarbonylContact O-C 3.6Å; T257-Y269 WeakPolarHBondContact O-CA 3.32Å; T257-I270 PolarHBondContact N-O 2.95Å; T257-I270 PolarHBondContact O-N 3.37Å |
| 258 | R | 86.1 | Confident | 67 | Low | 47 Ų | 47 | 97.4 Ų | 97.4 | 18% | 0.177 | 48% | 0.482 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 111.2 | 179.7 | -174 | -173.4 | -173.4 | -116.4 | 0.1 | 110.8 | V260 V267 Y269 I309 A311 T313 L319 | R258-V260 HydrophobicContact CG-CG2 4.3Å; R258-V267 HydrophobicContact CG-CG1 3.95Å; R258-Y269 HydrophobicContact CB-CD1 4.24Å; R258-Y269 HydrophobicContact CB-CE1 4.1Å; R258-Y269 HydrophobicContact CG-CD1 4.32Å; R258-Y269 HydrophobicContact CG-CE1 3.94Å; R258-Y269 HydrophobicContact CG-CE2 4.17Å; R258-Y269 PolarHBondContact NE-OH 3.13Å; R258-I309 PolarHBondContact NE-O 3.24Å; R258-I309 PolarHBondContact NH2-O 3.49Å; R258-A311 PolarHBondContact NH2-O 3.42Å; R258-T313 PolarHBondContact NH1-O 3.41Å; R258-L319 HydrophobicContact CB-CD1 4.16Å; R258-L319 HydrophobicContact CB-CD2 4.03Å; R258-L319 VanDerWaalsContact N-CD2 3.32Å |
| 259 | L | 86 | Confident | 70 | Confident | 83 Ų | 83 | 92.1 Ų | 92.1 | 44% | 0.435 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 132 | 173.5 | -60.3 | -171.5 | 0 | 0 | 0 | 110.9 | T257 V267 V268 I270 | T257-L259 HydrophobicContact CG2-CD2 4.21Å; L259-V267 WeakPolarHBondContact O-CA 3.46Å; L259-V268 HydrophobicContact CB-CB 4.48Å; L259-V268 PolarHBondContact N-O 3.49Å; L259-V268 PolarHBondContact O-N 2.84Å; L259-I270 HydrophobicContact CD1-CD1 3.66Å; L259-I270 HydrophobicContact CD1-CG1 4.45Å; L259-I270 HydrophobicContact CG-CD1 4.06Å; L259-I270 HydrophobicContact CG-CG1 4.48Å |
| 260 | V | 86.6 | Confident | 72.7 | Confident | 48 Ų | 48 | 83.2 Ų | 83.2 | 29% | 0.291 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 101 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 110.6 | R258 K262 V267 P312 | R258-V260 HydrophobicContact CG-CG2 4.3Å; V260-K262 HydrophobicContact CG1-CG 4.02Å; V260-K262 PolarHBondContact O-N 3.39Å; V260-V267 HydrophobicContact CG1-CG2 4.22Å; V260-V267 HydrophobicContact CG2-CG1 4.44Å; V260-V267 HydrophobicContact CG2-CG2 4.23Å; V260-P312 HydrophobicContact CG1-CB 4.03Å |
| 261 | N | 84.7 | Confident | 75.5 | Confident | 84 Ų | 84 | 75.1 Ų | 75.1 | 45% | 0.449 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 87.6 | 174.4 | -173.8 | -14.7 | 0 | 0 | 0 | 110.6 | K263 A264 Q265 N266 | N261-K263 PolarHBondContact O-N 2.89Å; N261-K263 VanDerWaalsContact O-N 3.17Å; N261-K263 PolarHBondContact OD1-N 3.49Å; N261-K263 VanDerWaalsContact OD1-N 3.14Å; N261-A264 HydrophobicContact CB-CB 4.26Å; N261-A264 WeakPolarHBondContact ND2-CB 3.47Å; N261-A264 CarbonylContact O-C 3.49Å; N261-A264 PolarHBondContact O-N 2.84Å; N261-A264 VanDerWaalsContact O-N 3.16Å; N261-A264 PolarHBondContact OD1-N 2.88Å; N261-A264 VanDerWaalsContact OD1-N 3.08Å; N261-Q265 PolarHBondContact O-N 3.47Å; N261-N266 PolarHBondContact N-O 2.72Å; N261-N266 PolarHBondContact O-N 2.86Å |
| 262 | K | 80.7 | Confident | 77.8 | Confident | 120 Ų | 120 | 71 Ų | 71 | 52% | 0.522 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -25.8 | 178.9 | -60.9 | -175.9 | -179.6 | -179.8 | 0 | 114 | V260 Q265 | V260-K262 HydrophobicContact CG1-CG 4.02Å; V260-K262 PolarHBondContact O-N 3.39Å; K262-Q265 PolarHBondContact O-NE2 3.3Å |
| 263 | K | 82.5 | Confident | 80.5 | Confident | 207 Ų | 207 | 70.1 Ų | 70.1 | 90% | 0.9 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -39 | 176.8 | -70.5 | -174.2 | 177.5 | -178.3 | 0 | 112.4 | N261 | N261-K263 PolarHBondContact O-N 2.89Å; N261-K263 VanDerWaalsContact O-N 3.17Å; N261-K263 PolarHBondContact OD1-N 3.49Å; N261-K263 VanDerWaalsContact OD1-N 3.14Å |
| 264 | A | 85.1 | Confident | 82.6 | Confident | 61 Ų | 61 | 65.7 Ų | 65.7 | 50% | 0.504 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.8 | -0 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | N261 N266 | N261-A264 HydrophobicContact CB-CB 4.26Å; N261-A264 WeakPolarHBondContact ND2-CB 3.47Å; N261-A264 CarbonylContact O-C 3.49Å; N261-A264 PolarHBondContact O-N 2.84Å; N261-A264 VanDerWaalsContact O-N 3.16Å; N261-A264 PolarHBondContact OD1-N 2.88Å; N261-A264 VanDerWaalsContact OD1-N 3.08Å; A264-N266 HydrophobicContact CB-CB 4.14Å; A264-N266 PolarHBondContact O-N 3.48Å |
| 265 | Q | 81.8 | Confident | 84.3 | Confident | 132 Ų | 132 | 58.9 Ų | 58.9 | 62% | 0.617 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 33.2 | -172.7 | -64.2 | -69.2 | -67 | 0 | 0 | 113.3 | N261 K262 P312 | N261-Q265 PolarHBondContact O-N 3.47Å; K262-Q265 PolarHBondContact O-NE2 3.3Å; Q265-P312 HydrophobicContact CB-CG 4.29Å; Q265-P312 VanDerWaalsContact OE1-CG 3.32Å |
| 266 | N | 85.3 | Confident | 85.4 | Confident | 67 Ų | 67 | 66 Ų | 66 | 36% | 0.358 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 138 | -171.6 | -173.1 | -13.5 | 0 | 0 | 0 | 110.4 | N261 A264 | N261-N266 PolarHBondContact N-O 2.72Å; N261-N266 PolarHBondContact O-N 2.86Å; A264-N266 HydrophobicContact CB-CB 4.14Å; A264-N266 PolarHBondContact O-N 3.48Å |
| 267 | V | 87.6 | Confident | 86.1 | Confident | 2 Ų | 2 | 65.6 Ų | 65.6 | 1% | 0.012 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 134.3 | 173.1 | 178.1 | 0 | 0 | 0 | 0 | 108.6 | R258 L259 V260 Y269 F310 P312 | R258-V267 HydrophobicContact CG-CG1 3.95Å; L259-V267 WeakPolarHBondContact O-CA 3.46Å; V260-V267 HydrophobicContact CG1-CG2 4.22Å; V260-V267 HydrophobicContact CG2-CG1 4.44Å; V260-V267 HydrophobicContact CG2-CG2 4.23Å; V267-Y269 HydrophobicContact CG1-CD2 4.21Å; V267-Y269 HydrophobicContact CG1-CE2 3.87Å; V267-F310 HydrophobicContact CB-CD1 4.44Å; V267-F310 WeakPolarHBondContact CB-O 3.45Å; V267-F310 VanDerWaalsContact CG2-O 3.24Å; V267-F310 WeakPolarHBondContact CG2-O 3.43Å; V267-P312 HydrophobicContact CG2-CB 4.12Å |
| 268 | V | 90.3 | Very high | 86.5 | Confident | 21 Ų | 21 | 67.6 Ų | 67.6 | 13% | 0.127 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 123.9 | 179 | -167.5 | 0 | 0 | 0 | 0 | 108.4 | L259 R276 L277 H278 | L259-V268 HydrophobicContact CB-CB 4.48Å; L259-V268 PolarHBondContact N-O 3.49Å; L259-V268 PolarHBondContact O-N 2.84Å; V268-R276 HydrophobicContact CG1-CB 3.84Å; V268-R276 HydrophobicContact CG1-CG 4.29Å; V268-L277 WeakPolarHBondContact CA-O 3.48Å; V268-H278 VanDerWaalsContact CG2-CE1 3.46Å; V268-H278 WeakPolarHBondContact CG2-CE1 3.43Å |
| 269 | Y | 89.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 68 Ų | 68 | 0% | 0.004 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 130.6 | 166.6 | -72.7 | -102.6 | 0 | 0 | 0 | 108.2 | T257 R258 V267 L277 F308 I309 F310 L319 | T257-Y269 CarbonylContact O-C 3.6Å; T257-Y269 WeakPolarHBondContact O-CA 3.32Å; R258-Y269 HydrophobicContact CB-CD1 4.24Å; R258-Y269 HydrophobicContact CB-CE1 4.1Å; R258-Y269 HydrophobicContact CG-CD1 4.32Å; R258-Y269 HydrophobicContact CG-CE1 3.94Å; R258-Y269 HydrophobicContact CG-CE2 4.17Å; R258-Y269 PolarHBondContact NE-OH 3.13Å; V267-Y269 HydrophobicContact CG1-CD2 4.21Å; V267-Y269 HydrophobicContact CG1-CE2 3.87Å; Y269-L277 PolarHBondContact N-O 3.23Å; Y269-L277 PolarHBondContact O-N 3.26Å; Y269-F308 AromaticContact CD1-CD1 3.69Å; Y269-F308 HydrophobicContact CD1-CD1 3.69Å; Y269-F308 AromaticContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD2-CD1 4.19Å; Y269-F308 AromaticContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CE1 4.01Å; Y269-F308 HydrophobicContact CE2-CD1 4.21Å; Y269-F308 AromaticContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CE1 4.23Å; Y269-F308 AromaticContact CZ-CD1 3.95Å; Y269-I309 PolarHBondContact OH-N 3.32Å; Y269-I309 PolarHBondContact OH-O 3.43Å; Y269-F310 HydrophobicContact CD2-CD1 4.18Å; Y269-F310 AromaticContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE2 4.38Å; Y269-F310 AromaticContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CE2-CD1 4.31Å; Y269-F310 HydrophobicContact CE2-CE1 4.05Å; Y269-F310 HydrophobicContact CE2-CE2 4.41Å; Y269-F310 HydrophobicContact CE2-CZ 4.1Å; Y269-L319 HydrophobicContact CD1-CD1 4.12Å; Y269-L319 HydrophobicContact CE1-CD1 3.77Å |
| 270 | I | 89.2 | Confident | 86.7 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 17% | 0.169 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 127.4 | 172.7 | -51.4 | -170.5 | 0 | 0 | 0 | 107.2 | W256 T257 L259 T275 R276 | W256-I270 CarbonylContact C-O 3.57Å; W256-I270 WeakPolarHBondContact CA-O 3.31Å; W256-I270 WeakPolarHBondContact CB-O 3.34Å; T257-I270 PolarHBondContact N-O 2.95Å; T257-I270 PolarHBondContact O-N 3.37Å; L259-I270 HydrophobicContact CD1-CD1 3.66Å; L259-I270 HydrophobicContact CD1-CG1 4.45Å; L259-I270 HydrophobicContact CG-CD1 4.06Å; L259-I270 HydrophobicContact CG-CG1 4.48Å; I270-T275 VanDerWaalsContact CA-O 3.3Å; I270-T275 WeakPolarHBondContact CA-O 3.39Å; I270-R276 HydrophobicContact CG1-CG 4.35Å |
| 271 | T | 88 | Confident | 86.7 | Confident | 6 Ų | 6 | 69.6 Ų | 69.6 | 4% | 0.037 | 37% | 0.368 | C | S | . | . | trans | -81.1 | 169.5 | 178.7 | 56.5 | 0 | 0 | 0 | 0 | 111.6 | W256 D273 G274 T275 L277 Y286 | W256-T271 HydrophobicContact CD2-CG2 4.01Å; W256-T271 HydrophobicContact CE3-CG2 3.9Å; W256-T271 HydrophobicContact CH2-CG2 3.9Å; W256-T271 HydrophobicContact CZ2-CG2 3.98Å; W256-T271 HydrophobicContact CZ3-CG2 3.85Å; T271-D273 WeakPolarHBondContact CB-OD1 3.46Å; T271-D273 PolarHBondContact O-N 3.25Å; T271-D273 PolarHBondContact OG1-OD1 2.94Å; T271-G274 PolarHBondContact O-N 2.89Å; T271-T275 WeakPolarHBondContact CG2-OG1 3.3Å; T271-T275 PolarHBondContact N-O 3.13Å; T271-T275 WeakPolarHBondContact OG1-CA 3.24Å; T271-T275 WeakPolarHBondContact OG1-CB 3.49Å; T271-T275 PolarHBondContact OG1-N 2.8Å; T271-T275 PolarHBondContact OG1-O 3.24Å; T271-T275 PolarHBondContact OG1-OG1 3.21Å; T271-L277 HydrophobicContact CG2-CD1 3.48Å; T271-L277 VanDerWaalsContact CG2-CD1 3.48Å; T271-L277 HydrophobicContact CG2-CG 4.13Å; T271-Y286 HydrophobicContact CG2-CD1 3.99Å; T271-Y286 HydrophobicContact CG2-CD2 3.99Å; T271-Y286 HydrophobicContact CG2-CE1 3.72Å; T271-Y286 HydrophobicContact CG2-CE2 3.71Å; T271-Y286 HydrophobicContact CG2-CG 4.13Å | ||
| 272 | S | 81.6 | Confident | 87 | Confident | 83 Ų | 83 | 68.8 Ų | 68.8 | 58% | 0.58 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -13.7 | 178.5 | 53.4 | 0 | 0 | 0 | 0 | 114.9 | G255 | G255-S272 WeakPolarHBondContact O-CA 3.45Š|
| 273 | D | 84.9 | Confident | 87.3 | Confident | 78 Ų | 78 | 63 Ų | 63 | 42% | 0.417 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 13.3 | 170.1 | 66.1 | -17.8 | 0 | 0 | 0 | 112.9 | T271 T275 Y286 K290 | T271-D273 WeakPolarHBondContact CB-OD1 3.46Å; T271-D273 PolarHBondContact O-N 3.25Å; T271-D273 PolarHBondContact OG1-OD1 2.94Å; D273-T275 PolarHBondContact O-N 2.85Å; D273-Y286 WeakPolarHBondContact OD1-CE2 3.4Å; D273-Y286 PolarHBondContact OD1-OH 2.86Å; D273-Y286 VanDerWaalsContact OD1-OH 3.06Å; D273-K290 WeakPolarHBondContact OD2-CE 3.35Å; D273-K290 IonicContact OD2-NZ 3.68Å; D273-K290 PolarHBondContact OD2-NZ 3.46Å |
| 274 | G | 84.4 | Confident | 87.4 | Confident | 46 Ų | 46 | 56.4 Ų | 56.4 | 47% | 0.474 | 31% | 0.306 | S | S | . | . | trans | 83.2 | -0.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | T271 | T271-G274 PolarHBondContact O-N 2.89Š| ||
| 275 | T | 88.2 | Confident | 87.5 | Confident | 52 Ų | 52 | 57.1 Ų | 57.1 | 32% | 0.319 | 30% | 0.304 | S | S | . | . | trans | -63.1 | 147 | 174.8 | 79.1 | 0 | 0 | 0 | 0 | 110.7 | I270 T271 D273 Y286 | I270-T275 VanDerWaalsContact CA-O 3.3Å; I270-T275 WeakPolarHBondContact CA-O 3.39Å; T271-T275 WeakPolarHBondContact CG2-OG1 3.3Å; T271-T275 PolarHBondContact N-O 3.13Å; T271-T275 WeakPolarHBondContact OG1-CA 3.24Å; T271-T275 WeakPolarHBondContact OG1-CB 3.49Å; T271-T275 PolarHBondContact OG1-N 2.8Å; T271-T275 PolarHBondContact OG1-O 3.24Å; T271-T275 PolarHBondContact OG1-OG1 3.21Å; D273-T275 PolarHBondContact O-N 2.85Å; T275-Y286 HydrophobicContact CG2-CD2 4.31Å; T275-Y286 HydrophobicContact CG2-CE2 4.03Å; T275-Y286 WeakPolarHBondContact OG1-CD2 3.45Å; T275-Y286 WeakPolarHBondContact OG1-CE2 3.22Å | ||
| 276 | R | 91.3 | Very high | 87.8 | Confident | 157 Ų | 157 | 52 Ų | 52 | 59% | 0.592 | 28% | 0.28 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 123.7 | -176.7 | -65.5 | -173.9 | 177.1 | -164.7 | -2.2 | 109.4 | V268 I270 | V268-R276 HydrophobicContact CG1-CB 3.84Å; V268-R276 HydrophobicContact CG1-CG 4.29Å; I270-R276 HydrophobicContact CG1-CG 4.35Å |
| 277 | L | 92.4 | Very high | 87.7 | Confident | 10 Ų | 10 | 49.1 Ų | 49.1 | 5% | 0.052 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 128.9 | -174.6 | -50.2 | 173.9 | 0 | 0 | 0 | 108.3 | W256 V268 Y269 T271 E282 V283 Y286 F310 | W256-L277 HydrophobicContact CE3-CD1 4.42Å; W256-L277 HydrophobicContact CH2-CD1 3.9Å; W256-L277 HydrophobicContact CZ3-CD1 3.54Å; V268-L277 WeakPolarHBondContact CA-O 3.48Å; Y269-L277 PolarHBondContact N-O 3.23Å; Y269-L277 PolarHBondContact O-N 3.26Å; T271-L277 HydrophobicContact CG2-CD1 3.48Å; T271-L277 VanDerWaalsContact CG2-CD1 3.48Å; T271-L277 HydrophobicContact CG2-CG 4.13Å; L277-E282 WeakPolarHBondContact CA-OE2 3.38Å; L277-E282 HydrophobicContact CB-CB 4.34Å; L277-E282 HydrophobicContact CD2-CB 4.04Å; L277-V283 HydrophobicContact CB-CG2 4.12Å; L277-V283 HydrophobicContact CD1-CB 4.5Å; L277-V283 HydrophobicContact CD1-CG2 3.92Å; L277-Y286 HydrophobicContact CD1-CD1 4.48Å; L277-Y286 HydrophobicContact CD1-CG 4.19Å; L277-Y286 HydrophobicContact CD2-CG 4.45Å; L277-F310 WeakPolarHBondContact O-CE1 3.3Å |
| 278 | H | 90.7 | Very high | 87.5 | Confident | 82 Ų | 82 | 50.8 Ų | 50.8 | 38% | 0.38 | 28% | 0.276 | S | S | . | . | trans | -116.4 | -9.3 | -169.5 | -67.8 | -79.7 | 0 | 0 | 0 | 113.8 | V268 E282 F310 | V268-H278 VanDerWaalsContact CG2-CE1 3.46Å; V268-H278 WeakPolarHBondContact CG2-CE1 3.43Å; H278-E282 WeakPolarHBondContact CB-OE2 3.44Å; H278-E282 IonicContact CD2-OE2 3.71Å; H278-E282 IonicContact CG-OE2 3.97Å; H278-E282 PolarHBondContact N-OE2 2.95Å; H278-F310 VanDerWaalsContact C-CD1 3.43Å; H278-F310 VanDerWaalsContact O-CD1 3.25Å; H278-F310 WeakPolarHBondContact O-CD1 3.49Å | ||
| 279 | N | 88.7 | Confident | 87 | Confident | 54 Ų | 54 | 54.7 Ų | 54.7 | 29% | 0.289 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -155.4 | 172.5 | 177.1 | 54.8 | 67.8 | 0 | 0 | 0 | 111.2 | D281 E282 V283 F310 | N279-D281 VanDerWaalsContact C-N 3.32Å; N279-D281 PolarHBondContact O-N 3.31Å; N279-D281 PolarHBondContact OD1-N 2.95Å; N279-E282 VanDerWaalsContact ND2-CD 3.27Å; N279-E282 PolarHBondContact ND2-OE1 3.28Å; N279-E282 PolarHBondContact O-N 3.38Å; N279-E282 WeakPolarHBondContact OD1-CG 3.34Å; N279-E282 PolarHBondContact OD1-N 3.45Å; N279-V283 PolarHBondContact O-N 3.15Å; N279-F310 VanDerWaalsContact C-CZ 3.41Å; N279-F310 VanDerWaalsContact N-CE1 3.32Å; N279-F310 WeakPolarHBondContact O-CE2 3.48Å; N279-F310 VanDerWaalsContact O-CZ 3.3Å; N279-F310 WeakPolarHBondContact O-CZ 3.39Å |
| 280 | V | 87.6 | Confident | 86.4 | Confident | 45 Ų | 45 | 59.8 Ų | 59.8 | 27% | 0.273 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -67.2 | -31.8 | -177.3 | -179 | 0 | 0 | 0 | 0 | 112 | V283 Y284 I304 A305 F310 | V280-V283 WeakPolarHBondContact O-CB 3.44Å; V280-V283 PolarHBondContact O-N 2.57Å; V280-Y284 WeakPolarHBondContact O-CB 3.27Å; V280-Y284 PolarHBondContact O-N 3.03Å; V280-I304 HydrophobicContact CG1-CG2 4.1Å; V280-A305 HydrophobicContact CG1-CB 4.2Å; V280-F310 HydrophobicContact CG2-CD2 3.81Å; V280-F310 HydrophobicContact CG2-CE2 3.92Å |
| 281 | D | 86.5 | Confident | 85.3 | Confident | 120 Ų | 120 | 59.9 Ų | 59.9 | 64% | 0.642 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -72.3 | -32.7 | -179.8 | -56.5 | -61.9 | 0 | 0 | 0 | 112.2 | N279 Y284 T285 | N279-D281 VanDerWaalsContact C-N 3.32Å; N279-D281 PolarHBondContact O-N 3.31Å; N279-D281 PolarHBondContact OD1-N 2.95Å; D281-Y284 WeakPolarHBondContact O-CB 3.43Å; D281-Y284 PolarHBondContact O-N 3.23Å; D281-T285 WeakPolarHBondContact O-CB 3.4Å; D281-T285 PolarHBondContact O-N 2.91Å; D281-T285 PolarHBondContact O-OG1 3.37Å |
| 282 | E | 90.7 | Very high | 83.8 | Confident | 67 Ų | 67 | 65.3 Ų | 65.3 | 31% | 0.313 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -67 | -40.4 | 168.7 | -77.8 | 168.2 | -147.6 | 0 | 0 | 111.5 | L277 H278 N279 T285 Y286 | L277-E282 WeakPolarHBondContact CA-OE2 3.38Å; L277-E282 HydrophobicContact CB-CB 4.34Å; L277-E282 HydrophobicContact CD2-CB 4.04Å; H278-E282 WeakPolarHBondContact CB-OE2 3.44Å; H278-E282 IonicContact CD2-OE2 3.71Å; H278-E282 IonicContact CG-OE2 3.97Å; H278-E282 PolarHBondContact N-OE2 2.95Å; N279-E282 VanDerWaalsContact ND2-CD 3.27Å; N279-E282 PolarHBondContact ND2-OE1 3.28Å; N279-E282 PolarHBondContact O-N 3.38Å; N279-E282 WeakPolarHBondContact OD1-CG 3.34Å; N279-E282 PolarHBondContact OD1-N 3.45Å; E282-T285 PolarHBondContact O-N 3.03Å; E282-Y286 WeakPolarHBondContact O-CB 3.35Å; E282-Y286 PolarHBondContact O-N 3.38Å |
| 283 | V | 88 | Confident | 82.5 | Confident | 0 Ų | 0 | 69 Ų | 69 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -62.8 | -43.9 | 172.9 | 178.5 | 0 | 0 | 0 | 0 | 111.1 | W256 L277 N279 V280 T285 Y286 L287 I304 F308 F310 | W256-V283 HydrophobicContact CH2-CG1 4.23Å; W256-V283 HydrophobicContact CZ3-CG1 4.34Å; L277-V283 HydrophobicContact CB-CG2 4.12Å; L277-V283 HydrophobicContact CD1-CB 4.5Å; L277-V283 HydrophobicContact CD1-CG2 3.92Å; N279-V283 PolarHBondContact O-N 3.15Å; V280-V283 WeakPolarHBondContact O-CB 3.44Å; V280-V283 PolarHBondContact O-N 2.57Å; V283-T285 PolarHBondContact O-N 3.45Å; V283-Y286 PolarHBondContact O-N 3.41Å; V283-L287 HydrophobicContact CG1-CD1 3.87Å; V283-L287 HydrophobicContact CG1-CG 4.37Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.41Å; V283-L287 PolarHBondContact O-N 2.65Å; V283-I304 HydrophobicContact CB-CG2 4.24Å; V283-I304 HydrophobicContact CG1-CG2 3.66Å; V283-F308 HydrophobicContact CG1-CD1 4.12Å; V283-F308 HydrophobicContact CG1-CD2 3.79Å; V283-F308 HydrophobicContact CG1-CE1 4.11Å; V283-F308 HydrophobicContact CG1-CE2 3.76Å; V283-F308 HydrophobicContact CG1-CG 3.95Å; V283-F308 HydrophobicContact CG1-CZ 3.92Å; V283-F308 HydrophobicContact CG2-CB 4.42Å; V283-F308 HydrophobicContact CG2-CD1 3.87Å; V283-F308 HydrophobicContact CG2-CE1 4.33Å; V283-F308 HydrophobicContact CG2-CG 4.1Å; V283-F310 HydrophobicContact CG2-CE2 4.03Å; V283-F310 HydrophobicContact CG2-CZ 3.73Å |
| 284 | Y | 84.6 | Confident | 81 | Confident | 68 Ų | 68 | 66.5 Ų | 66.5 | 27% | 0.267 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -57.9 | -46.6 | 173.3 | 173.1 | -87.1 | 0 | 0 | 0 | 111.7 | V280 D281 L287 S288 I296 K301 | V280-Y284 WeakPolarHBondContact O-CB 3.27Å; V280-Y284 PolarHBondContact O-N 3.03Å; D281-Y284 WeakPolarHBondContact O-CB 3.43Å; D281-Y284 PolarHBondContact O-N 3.23Å; Y284-L287 PolarHBondContact O-N 3.06Å; Y284-S288 WeakPolarHBondContact CE1-OG 3.44Å; Y284-S288 WeakPolarHBondContact O-CB 3.32Å; Y284-S288 PolarHBondContact O-N 2.52Å; Y284-S288 PolarHBondContact O-OG 3.29Å; Y284-I296 HydrophobicContact CD2-CB 4.11Å; Y284-I296 HydrophobicContact CD2-CD1 4.19Å; Y284-I296 HydrophobicContact CD2-CG2 3.68Å; Y284-I296 HydrophobicContact CE2-CB 3.44Å; Y284-I296 VanDerWaalsContact CE2-CB 3.44Å; Y284-I296 HydrophobicContact CE2-CD1 4.18Å; Y284-I296 HydrophobicContact CE2-CG1 4.31Å; Y284-I296 HydrophobicContact CE2-CG2 3.43Å; Y284-I296 VanDerWaalsContact CE2-CG2 3.43Å; Y284-K301 HydrophobicContact CD2-CD 4.37Å; Y284-K301 HydrophobicContact CD2-CG 3.91Å; Y284-K301 HydrophobicContact CE2-CD 4.1Å; Y284-K301 HydrophobicContact CE2-CG 3.92Å |
| 285 | T | 85.6 | Confident | 79.8 | Confident | 76 Ų | 76 | 73 Ų | 73 | 47% | 0.466 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -40.9 | -178.3 | -57 | 0 | 0 | 0 | 0 | 111.5 | D281 E282 V283 S288 T289 | D281-T285 WeakPolarHBondContact O-CB 3.4Å; D281-T285 PolarHBondContact O-N 2.91Å; D281-T285 PolarHBondContact O-OG1 3.37Å; E282-T285 PolarHBondContact O-N 3.03Å; V283-T285 PolarHBondContact O-N 3.45Å; T285-S288 PolarHBondContact O-N 2.89Å; T285-T289 WeakPolarHBondContact O-CB 3.42Å; T285-T289 WeakPolarHBondContact O-CG2 3.4Å; T285-T289 PolarHBondContact O-N 2.97Å; T285-T289 PolarHBondContact O-OG1 3.26Å |
| 286 | Y | 88.2 | Confident | 78.7 | Confident | 25 Ų | 25 | 71 Ų | 71 | 10% | 0.098 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 172.6 | 178 | -87.8 | 0 | 0 | 0 | 111.3 | W256 T271 D273 T275 L277 E282 V283 S288 T289 K290 | W256-Y286 AromaticContact CH2-CD1 3.76Å; W256-Y286 HydrophobicContact CH2-CD1 3.76Å; W256-Y286 AromaticContact CH2-CE1 3.99Å; W256-Y286 HydrophobicContact CH2-CE1 3.99Å; W256-Y286 AromaticContact CZ2-CD1 3.8Å; W256-Y286 HydrophobicContact CZ2-CD1 3.8Å; W256-Y286 AromaticContact CZ2-CE1 3.55Å; W256-Y286 HydrophobicContact CZ2-CE1 3.55Å; T271-Y286 HydrophobicContact CG2-CD1 3.99Å; T271-Y286 HydrophobicContact CG2-CD2 3.99Å; T271-Y286 HydrophobicContact CG2-CE1 3.72Å; T271-Y286 HydrophobicContact CG2-CE2 3.71Å; T271-Y286 HydrophobicContact CG2-CG 4.13Å; D273-Y286 WeakPolarHBondContact OD1-CE2 3.4Å; D273-Y286 PolarHBondContact OD1-OH 2.86Å; D273-Y286 VanDerWaalsContact OD1-OH 3.06Å; T275-Y286 HydrophobicContact CG2-CD2 4.31Å; T275-Y286 HydrophobicContact CG2-CE2 4.03Å; T275-Y286 WeakPolarHBondContact OG1-CD2 3.45Å; T275-Y286 WeakPolarHBondContact OG1-CE2 3.22Å; L277-Y286 HydrophobicContact CD1-CD1 4.48Å; L277-Y286 HydrophobicContact CD1-CG 4.19Å; L277-Y286 HydrophobicContact CD2-CG 4.45Å; E282-Y286 WeakPolarHBondContact O-CB 3.35Å; E282-Y286 PolarHBondContact O-N 3.38Å; V283-Y286 PolarHBondContact O-N 3.41Å; Y286-S288 VanDerWaalsContact C-N 3.33Å; Y286-S288 PolarHBondContact O-N 3.17Å; Y286-T289 PolarHBondContact O-N 2.94Å; Y286-T289 PolarHBondContact O-OG1 3.26Å; Y286-T289 VanDerWaalsContact O-OG1 3.08Å; Y286-K290 HydrophobicContact CD1-CG 4.27Å; Y286-K290 HydrophobicContact CE1-CG 3.82Å; Y286-K290 HydrophobicContact CE2-CD 4.42Å; Y286-K290 HydrophobicContact CE2-CG 4.11Å; Y286-K290 VanDerWaalsContact CZ-CE 3.49Å; Y286-K290 WeakPolarHBondContact O-CG 3.5Å; Y286-K290 PolarHBondContact O-N 3.45Å; Y286-K290 WeakPolarHBondContact OH-CE 3.34Å |
| 287 | L | 84.3 | Confident | 77.6 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 3% | 0.031 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -66 | -34.3 | 178.4 | -69.9 | 173.7 | 0 | 0 | 0 | 112.4 | W256 V283 Y284 N291 I296 I304 | W256-L287 HydrophobicContact CH2-CD2 4.33Å; W256-L287 HydrophobicContact CZ2-CD2 4.12Å; V283-L287 HydrophobicContact CG1-CD1 3.87Å; V283-L287 HydrophobicContact CG1-CG 4.37Å; V283-L287 WeakPolarHBondContact O-CB 3.4Å; V283-L287 VanDerWaalsContact O-CG 3.3Å; V283-L287 WeakPolarHBondContact O-CG 3.41Å; V283-L287 PolarHBondContact O-N 2.65Å; Y284-L287 PolarHBondContact O-N 3.06Å; L287-N291 VanDerWaalsContact O-CB 3.31Å; L287-N291 WeakPolarHBondContact O-CB 3.5Å; L287-N291 PolarHBondContact O-N 2.85Å; L287-N291 PolarHBondContact O-ND2 3.04Å; L287-I296 HydrophobicContact CB-CD1 3.99Å; L287-I304 HydrophobicContact CD1-CD1 3.71Å; L287-I304 HydrophobicContact CD1-CG1 4.03Å |
| 288 | S | 82 | Confident | 76.7 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 26% | 0.259 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 174.8 | -56.6 | 0 | 0 | 0 | 0 | 111.9 | Y284 T285 Y286 N291 I296 | Y284-S288 WeakPolarHBondContact CE1-OG 3.44Å; Y284-S288 WeakPolarHBondContact O-CB 3.32Å; Y284-S288 PolarHBondContact O-N 2.52Å; Y284-S288 PolarHBondContact O-OG 3.29Å; T285-S288 PolarHBondContact O-N 2.89Å; Y286-S288 VanDerWaalsContact C-N 3.33Å; Y286-S288 PolarHBondContact O-N 3.17Å; S288-N291 CarbonylContact O-C 3.49Å; S288-N291 PolarHBondContact O-N 3.22Å; S288-I296 WeakPolarHBondContact OG-CD1 3.47Å |
| 289 | T | 81.6 | Confident | 75.7 | Confident | 103 Ų | 103 | 69.8 Ų | 69.8 | 63% | 0.632 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -75.5 | -21.3 | -178.8 | 49.4 | 0 | 0 | 0 | 0 | 113.6 | T285 Y286 | T285-T289 WeakPolarHBondContact O-CB 3.42Å; T285-T289 WeakPolarHBondContact O-CG2 3.4Å; T285-T289 PolarHBondContact O-N 2.97Å; T285-T289 PolarHBondContact O-OG1 3.26Å; Y286-T289 PolarHBondContact O-N 2.94Å; Y286-T289 PolarHBondContact O-OG1 3.26Å; Y286-T289 VanDerWaalsContact O-OG1 3.08Å |
| 290 | K | 76.4 | Confident | 74.9 | Confident | 107 Ų | 107 | 67.7 Ų | 67.7 | 47% | 0.465 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -88.9 | -24.7 | 171.6 | -62.6 | -59.8 | -174.8 | 179.4 | 0 | 113.9 | D273 Y286 | D273-K290 WeakPolarHBondContact OD2-CE 3.35Å; D273-K290 IonicContact OD2-NZ 3.68Å; D273-K290 PolarHBondContact OD2-NZ 3.46Å; Y286-K290 HydrophobicContact CD1-CG 4.27Å; Y286-K290 HydrophobicContact CE1-CG 3.82Å; Y286-K290 HydrophobicContact CE2-CD 4.42Å; Y286-K290 HydrophobicContact CE2-CG 4.11Å; Y286-K290 VanDerWaalsContact CZ-CE 3.49Å; Y286-K290 WeakPolarHBondContact O-CG 3.5Å; Y286-K290 PolarHBondContact O-N 3.45Å; Y286-K290 WeakPolarHBondContact OH-CE 3.34Å |
| 291 | N | 66.1 | Low | 74.3 | Confident | 36 Ų | 36 | 70.3 Ų | 70.3 | 19% | 0.193 | 38% | 0.379 | C | S | . | . | trans | -121.2 | 75 | -176.8 | -53.9 | -65.4 | 0 | 0 | 0 | 110.6 | L287 S288 E293 C294 H330 | L287-N291 VanDerWaalsContact O-CB 3.31Å; L287-N291 WeakPolarHBondContact O-CB 3.5Å; L287-N291 PolarHBondContact O-N 2.85Å; L287-N291 PolarHBondContact O-ND2 3.04Å; S288-N291 CarbonylContact O-C 3.49Å; S288-N291 PolarHBondContact O-N 3.22Å; N291-E293 PolarHBondContact O-N 3.24Å; N291-C294 HydrophobicContact CB-CB 3.89Å; N291-C294 PolarHBondContact O-N 3.12Å; N291-C294 VanDerWaalsContact O-N 3.08Å; N291-H330 PolarHBondContact OD1-CD2 3.41Å; N291-H330 VanDerWaalsContact OD1-CD2 3.32Å; N291-H330 PolarHBondContact OD1-NE2 2.68Å | ||
| 292 | S | 57 | Low | 73.9 | Confident | 120 Ų | 120 | 71.4 Ų | 71.4 | 84% | 0.839 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -14 | -178.9 | 49.1 | 0 | 0 | 0 | 0 | 115.3 | ||
| 293 | E | 53.7 | Low | 73.1 | Confident | 159 Ų | 159 | 71.9 Ų | 71.9 | 74% | 0.743 | 39% | 0.385 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -3.6 | -178.6 | -60.3 | 176.9 | 160.4 | 0 | 0 | 113.1 | N291 | N291-E293 PolarHBondContact O-N 3.24Š|
| 294 | C | 52.4 | Low | 72.7 | Confident | 27 Ų | 27 | 72 Ų | 72 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | trans | -108.8 | 97.4 | -174.7 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | N291 I296 | N291-C294 HydrophobicContact CB-CB 3.89Å; N291-C294 PolarHBondContact O-N 3.12Å; N291-C294 VanDerWaalsContact O-N 3.08Å; C294-I296 WeakPolarHBondContact O-CG1 3.3Å; C294-I296 PolarHBondContact O-N 3.02Å | ||
| 295 | E | 60.5 | Low | 72.6 | Confident | 181 Ų | 181 | 71.1 Ų | 71.1 | 85% | 0.846 | 39% | 0.392 | S | S | * | . | trans | -68 | 103.9 | 167.9 | -173.3 | 171.2 | -146 | 0 | 0 | 109 | N297 | E295-N297 VanDerWaalsContact C-N 3.3Å; E295-N297 PolarHBondContact O-N 3.36Å | ||
| 296 | I | 65.1 | Low | 72.2 | Confident | 12 Ų | 12 | 70.7 Ų | 70.7 | 6% | 0.062 | 40% | 0.396 | C | S | . | . | trans | -74.4 | 85.6 | -173.1 | -53.5 | -171.9 | 0 | 0 | 0 | 110.4 | Y284 L287 S288 C294 I300 K301 I304 | Y284-I296 HydrophobicContact CD2-CB 4.11Å; Y284-I296 HydrophobicContact CD2-CD1 4.19Å; Y284-I296 HydrophobicContact CD2-CG2 3.68Å; Y284-I296 HydrophobicContact CE2-CB 3.44Å; Y284-I296 VanDerWaalsContact CE2-CB 3.44Å; Y284-I296 HydrophobicContact CE2-CD1 4.18Å; Y284-I296 HydrophobicContact CE2-CG1 4.31Å; Y284-I296 HydrophobicContact CE2-CG2 3.43Å; Y284-I296 VanDerWaalsContact CE2-CG2 3.43Å; L287-I296 HydrophobicContact CB-CD1 3.99Å; S288-I296 WeakPolarHBondContact OG-CD1 3.47Å; C294-I296 WeakPolarHBondContact O-CG1 3.3Å; C294-I296 PolarHBondContact O-N 3.02Å; I296-I300 HydrophobicContact CG2-CB 3.87Å; I296-I300 HydrophobicContact CG2-CG2 3.64Å; I296-K301 HydrophobicContact CG2-CG 4.18Å; I296-I304 HydrophobicContact CG2-CD1 4.15Å | ||
| 297 | N | 66.9 | Low | 71.6 | Confident | 74 Ų | 74 | 71.8 Ų | 71.8 | 40% | 0.396 | 40% | 0.402 | S | S | . | . | trans | -60.6 | 172.6 | 176.3 | 66.3 | 29.4 | 0 | 0 | 0 | 113.3 | E295 S299 I300 K301 | E295-N297 VanDerWaalsContact C-N 3.3Å; E295-N297 PolarHBondContact O-N 3.36Å; N297-S299 PolarHBondContact O-N 3.36Å; N297-S299 PolarHBondContact OD1-N 2.96Å; N297-S299 PolarHBondContact OD1-OG 3.41Å; N297-I300 PolarHBondContact O-N 3.06Å; N297-I300 WeakPolarHBondContact OD1-CB 3.45Å; N297-I300 VanDerWaalsContact OD1-CG1 3.23Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.44Å; N297-I300 PolarHBondContact OD1-N 3.46Å; N297-K301 PolarHBondContact O-N 3.05Å | ||
| 298 | S | 73.7 | Confident | 71.5 | Confident | 88 Ų | 88 | 71.6 Ų | 71.6 | 62% | 0.615 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -61.6 | -37.7 | -176.8 | 46.3 | 0 | 0 | 0 | 0 | 113.8 | K301 E302 | S298-K301 WeakPolarHBondContact O-CB 3.31Å; S298-K301 PolarHBondContact O-N 3.42Å; S298-E302 PolarHBondContact O-N 3.35Å |
| 299 | S | 70.2 | Confident | 71.6 | Confident | 61 Ų | 61 | 72.5 Ų | 72.5 | 43% | 0.427 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -70 | -35.4 | 179.2 | 52.5 | 0 | 0 | 0 | 0 | 112.3 | N297 E302 L303 | N297-S299 PolarHBondContact O-N 3.36Å; N297-S299 PolarHBondContact OD1-N 2.96Å; N297-S299 PolarHBondContact OD1-OG 3.41Å; S299-E302 PolarHBondContact O-N 2.76Å; S299-L303 WeakPolarHBondContact O-CB 3.37Å; S299-L303 WeakPolarHBondContact O-CD1 3.44Å; S299-L303 VanDerWaalsContact O-CG 3.28Å; S299-L303 WeakPolarHBondContact O-CG 3.13Å; S299-L303 PolarHBondContact O-N 2.94Å |
| 300 | I | 71.1 | Confident | 71.8 | Confident | 9 Ų | 9 | 69.4 Ų | 69.4 | 5% | 0.046 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.8 | -36.7 | 171.1 | -60.7 | 163.2 | 0 | 0 | 0 | 110.6 | I296 N297 L303 I304 L329 V333 | I296-I300 HydrophobicContact CG2-CB 3.87Å; I296-I300 HydrophobicContact CG2-CG2 3.64Å; N297-I300 PolarHBondContact O-N 3.06Å; N297-I300 WeakPolarHBondContact OD1-CB 3.45Å; N297-I300 VanDerWaalsContact OD1-CG1 3.23Å; N297-I300 WeakPolarHBondContact OD1-CG1 3.44Å; N297-I300 PolarHBondContact OD1-N 3.46Å; I300-L303 PolarHBondContact O-N 2.76Å; I300-I304 HydrophobicContact CG2-CD1 3.8Å; I300-I304 HydrophobicContact CG2-CG1 4.2Å; I300-I304 WeakPolarHBondContact O-CB 3.16Å; I300-I304 VanDerWaalsContact O-CG1 3.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.2Å; I300-I304 PolarHBondContact O-N 3.3Å; I300-L329 HydrophobicContact CG1-CD2 4.18Å; I300-L329 HydrophobicContact CG2-CD1 4.37Å; I300-L329 HydrophobicContact CG2-CD2 3.81Å; I300-V333 HydrophobicContact CD1-CG2 3.84Å |
| 301 | K | 76 | Confident | 72 | Confident | 100 Ų | 100 | 66.5 Ų | 66.5 | 44% | 0.435 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.7 | -45.7 | 172.3 | -72.3 | 179.5 | 177.6 | 178.9 | 0 | 112.4 | Y284 I296 N297 S298 I304 A305 | Y284-K301 HydrophobicContact CD2-CD 4.37Å; Y284-K301 HydrophobicContact CD2-CG 3.91Å; Y284-K301 HydrophobicContact CE2-CD 4.1Å; Y284-K301 HydrophobicContact CE2-CG 3.92Å; I296-K301 HydrophobicContact CG2-CG 4.18Å; N297-K301 PolarHBondContact O-N 3.05Å; S298-K301 WeakPolarHBondContact O-CB 3.31Å; S298-K301 PolarHBondContact O-N 3.42Å; K301-I304 PolarHBondContact O-N 2.8Å; K301-A305 WeakPolarHBondContact O-CB 3.49Å; K301-A305 PolarHBondContact O-N 2.95Å |
| 302 | E | 77 | Confident | 72.3 | Confident | 143 Ų | 143 | 66.5 Ų | 66.5 | 67% | 0.668 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -63 | -42.2 | 175.9 | -72.4 | 176.6 | -174.4 | 0 | 0 | 111.9 | S298 S299 A305 A306 | S298-E302 PolarHBondContact O-N 3.35Å; S299-E302 PolarHBondContact O-N 2.76Å; E302-A305 PolarHBondContact O-N 2.93Å; E302-A306 WeakPolarHBondContact O-CB 3.33Å; E302-A306 PolarHBondContact O-N 3.34Å |
| 303 | L | 74.5 | Confident | 72.8 | Confident | 78 Ų | 78 | 63.4 Ų | 63.4 | 41% | 0.408 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -62.7 | -43.7 | 174.7 | -74.8 | 164.2 | 0 | 0 | 0 | 112.3 | S299 I300 A306 H307 F325 | S299-L303 WeakPolarHBondContact O-CB 3.37Å; S299-L303 WeakPolarHBondContact O-CD1 3.44Å; S299-L303 VanDerWaalsContact O-CG 3.28Å; S299-L303 WeakPolarHBondContact O-CG 3.13Å; S299-L303 PolarHBondContact O-N 2.94Å; I300-L303 PolarHBondContact O-N 2.76Å; L303-A306 PolarHBondContact O-N 3.03Å; L303-H307 PolarHBondContact O-N 2.83Å; L303-H307 PolarHBondContact O-ND1 3.43Å; L303-F325 HydrophobicContact CB-CE2 3.84Å; L303-F325 HydrophobicContact CB-CZ 3.72Å |
| 304 | I | 80.5 | Confident | 73 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -61.5 | -47.8 | 174.8 | -68.2 | 164 | 0 | 0 | 0 | 109.8 | V280 V283 L287 I296 I300 K301 A306 H307 F308 F325 | V280-I304 HydrophobicContact CG1-CG2 4.1Å; V283-I304 HydrophobicContact CB-CG2 4.24Å; V283-I304 HydrophobicContact CG1-CG2 3.66Å; L287-I304 HydrophobicContact CD1-CD1 3.71Å; L287-I304 HydrophobicContact CD1-CG1 4.03Å; I296-I304 HydrophobicContact CG2-CD1 4.15Å; I300-I304 HydrophobicContact CG2-CD1 3.8Å; I300-I304 HydrophobicContact CG2-CG1 4.2Å; I300-I304 WeakPolarHBondContact O-CB 3.16Å; I300-I304 VanDerWaalsContact O-CG1 3.24Å; I300-I304 WeakPolarHBondContact O-CG1 3.2Å; I300-I304 PolarHBondContact O-N 3.3Å; K301-I304 PolarHBondContact O-N 2.8Å; I304-A306 VanDerWaalsContact C-N 3.25Å; I304-A306 PolarHBondContact O-N 3.37Å; I304-H307 PolarHBondContact O-N 2.89Å; I304-H307 VanDerWaalsContact O-N 3.17Å; I304-F308 HydrophobicContact CG2-CD2 3.77Å; I304-F308 HydrophobicContact CG2-CE2 4.38Å; I304-F308 HydrophobicContact CG2-CG 4.49Å; I304-F308 WeakPolarHBondContact O-CB 3.41Å; I304-F308 WeakPolarHBondContact O-CD2 3.41Å; I304-F308 PolarHBondContact O-N 2.89Å; I304-F325 HydrophobicContact CG1-CE1 4.1Å; I304-F325 HydrophobicContact CG1-CZ 4.28Å |
| 305 | A | 81.4 | Confident | 73.2 | Confident | 51 Ų | 51 | 67 Ų | 67 | 42% | 0.421 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -60.7 | -32.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | V280 K301 E302 | V280-A305 HydrophobicContact CG1-CB 4.2Å; K301-A305 WeakPolarHBondContact O-CB 3.49Å; K301-A305 PolarHBondContact O-N 2.95Å; E302-A305 PolarHBondContact O-N 2.93Å |
| 306 | A | 77 | Confident | 72.9 | Confident | 66 Ų | 66 | 59.8 Ų | 59.8 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -72.1 | -34.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | E302 L303 I304 | E302-A306 WeakPolarHBondContact O-CB 3.33Å; E302-A306 PolarHBondContact O-N 3.34Å; L303-A306 PolarHBondContact O-N 3.03Å; I304-A306 VanDerWaalsContact C-N 3.25Å; I304-A306 PolarHBondContact O-N 3.37Å |
| 307 | H | 75.7 | Confident | 72.4 | Confident | 48 Ų | 48 | 61.3 Ų | 61.3 | 22% | 0.222 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -88.2 | -35.3 | -179.2 | -67.8 | 80.6 | 0 | 0 | 0 | 113 | L303 I304 I309 P317 F325 | L303-H307 PolarHBondContact O-N 2.83Å; L303-H307 PolarHBondContact O-ND1 3.43Å; I304-H307 PolarHBondContact O-N 2.89Å; I304-H307 VanDerWaalsContact O-N 3.17Å; H307-I309 PolarHBondContact O-N 3.04Å; H307-P317 WeakPolarHBondContact O-CG 3.47Å; H307-F325 AromaticContact CE1-CD2 3.69Å; H307-F325 AromaticContact CE1-CE2 3.89Å; H307-F325 AromaticContact NE2-CD2 3.89Å |
| 308 | F | 83.4 | Confident | 71.7 | Confident | 2 Ų | 2 | 60 Ų | 60 | 1% | 0.009 | 36% | 0.357 | C | S | . | . | trans | -93.2 | 76 | -174.9 | -73.9 | -86 | 0 | 0 | 0 | 112.5 | W256 Y269 V283 I304 F310 T322 | W256-F308 AromaticContact CE3-CE1 3.56Å; W256-F308 HydrophobicContact CE3-CE1 3.56Å; W256-F308 AromaticContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CE3-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CE1 4.16Å; W256-F308 AromaticContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CH2-CZ 3.92Å; W256-F308 HydrophobicContact CZ3-CD1 4.36Å; W256-F308 AromaticContact CZ3-CE1 3.3Å; W256-F308 HydrophobicContact CZ3-CE1 3.3Å; W256-F308 AromaticContact CZ3-CZ 3.51Å; W256-F308 HydrophobicContact CZ3-CZ 3.51Å; Y269-F308 AromaticContact CD1-CD1 3.69Å; Y269-F308 HydrophobicContact CD1-CD1 3.69Å; Y269-F308 AromaticContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD1-CE1 3.76Å; Y269-F308 HydrophobicContact CD2-CD1 4.19Å; Y269-F308 AromaticContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CD1 3.69Å; Y269-F308 HydrophobicContact CE1-CE1 4.01Å; Y269-F308 HydrophobicContact CE2-CD1 4.21Å; Y269-F308 AromaticContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CD1 3.95Å; Y269-F308 HydrophobicContact CG-CE1 4.23Å; Y269-F308 AromaticContact CZ-CD1 3.95Å; V283-F308 HydrophobicContact CG1-CD1 4.12Å; V283-F308 HydrophobicContact CG1-CD2 3.79Å; V283-F308 HydrophobicContact CG1-CE1 4.11Å; V283-F308 HydrophobicContact CG1-CE2 3.76Å; V283-F308 HydrophobicContact CG1-CG 3.95Å; V283-F308 HydrophobicContact CG1-CZ 3.92Å; V283-F308 HydrophobicContact CG2-CB 4.42Å; V283-F308 HydrophobicContact CG2-CD1 3.87Å; V283-F308 HydrophobicContact CG2-CE1 4.33Å; V283-F308 HydrophobicContact CG2-CG 4.1Å; I304-F308 HydrophobicContact CG2-CD2 3.77Å; I304-F308 HydrophobicContact CG2-CE2 4.38Å; I304-F308 HydrophobicContact CG2-CG 4.49Å; I304-F308 WeakPolarHBondContact O-CB 3.41Å; I304-F308 WeakPolarHBondContact O-CD2 3.41Å; I304-F308 PolarHBondContact O-N 2.89Å; F308-F310 HydrophobicContact CB-CE2 3.9Å; F308-F310 WeakPolarHBondContact O-CD2 3.33Å; F308-F310 PolarHBondContact O-N 2.99Å; F308-T322 HydrophobicContact CE1-CG2 3.78Å; F308-T322 HydrophobicContact CE2-CG2 3.97Å; F308-T322 HydrophobicContact CZ-CG2 3.36Å | ||
| 309 | I | 84 | Confident | 70.8 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 29% | 0.287 | 34% | 0.335 | S | S | . | . | trans | -77.7 | 104.5 | 179.7 | -56.2 | -171.9 | 0 | 0 | 0 | 111.2 | R258 Y269 H307 A311 | R258-I309 PolarHBondContact NE-O 3.24Å; R258-I309 PolarHBondContact NH2-O 3.49Å; Y269-I309 PolarHBondContact OH-N 3.32Å; Y269-I309 PolarHBondContact OH-O 3.43Å; H307-I309 PolarHBondContact O-N 3.04Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 HydrophobicContact CG2-CB 3.91Å | ||
| 310 | F | 85.8 | Confident | 69.8 | Low | 38 Ų | 38 | 60.2 Ų | 60.2 | 17% | 0.167 | 34% | 0.342 | C | S | . | . | trans | -82.6 | -3.9 | 173.8 | -72.2 | -83.2 | 0 | 0 | 0 | 114.8 | V267 Y269 L277 H278 N279 V280 V283 F308 | V267-F310 HydrophobicContact CB-CD1 4.44Å; V267-F310 WeakPolarHBondContact CB-O 3.45Å; V267-F310 VanDerWaalsContact CG2-O 3.24Å; V267-F310 WeakPolarHBondContact CG2-O 3.43Å; Y269-F310 HydrophobicContact CD2-CD1 4.18Å; Y269-F310 AromaticContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE1 3.54Å; Y269-F310 HydrophobicContact CD2-CE2 4.38Å; Y269-F310 AromaticContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CD2-CZ 3.65Å; Y269-F310 HydrophobicContact CE2-CD1 4.31Å; Y269-F310 HydrophobicContact CE2-CE1 4.05Å; Y269-F310 HydrophobicContact CE2-CE2 4.41Å; Y269-F310 HydrophobicContact CE2-CZ 4.1Å; L277-F310 WeakPolarHBondContact O-CE1 3.3Å; H278-F310 VanDerWaalsContact C-CD1 3.43Å; H278-F310 VanDerWaalsContact O-CD1 3.25Å; H278-F310 WeakPolarHBondContact O-CD1 3.49Å; N279-F310 VanDerWaalsContact C-CZ 3.41Å; N279-F310 VanDerWaalsContact N-CE1 3.32Å; N279-F310 WeakPolarHBondContact O-CE2 3.48Å; N279-F310 VanDerWaalsContact O-CZ 3.3Å; N279-F310 WeakPolarHBondContact O-CZ 3.39Å; V280-F310 HydrophobicContact CG2-CD2 3.81Å; V280-F310 HydrophobicContact CG2-CE2 3.92Å; V283-F310 HydrophobicContact CG2-CE2 4.03Å; V283-F310 HydrophobicContact CG2-CZ 3.73Å; F308-F310 HydrophobicContact CB-CE2 3.9Å; F308-F310 WeakPolarHBondContact O-CD2 3.33Å; F308-F310 PolarHBondContact O-N 2.99Å | ||
| 311 | A | 80.5 | Confident | 68.7 | Low | 47 Ų | 47 | 63.4 Ų | 63.4 | 39% | 0.388 | 36% | 0.359 | S | S | . | . | S | Bend | trans | -69.5 | 138.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | R258 I309 T313 | R258-A311 PolarHBondContact NH2-O 3.42Å; I309-A311 VanDerWaalsContact C-N 3.34Å; I309-A311 HydrophobicContact CG2-CB 3.91Å; A311-T313 HydrophobicContact CB-CG2 4.18Å; A311-T313 PolarHBondContact O-N 2.91Å |
| 312 | P | 73 | Confident | 67.6 | Low | 35 Ų | 35 | 58.7 Ų | 58.7 | 23% | 0.227 | 34% | 0.339 | C | S | . | . | trans | -75.8 | 41.7 | -178.2 | 32.3 | -36.9 | 0 | 0 | 0 | 113.7 | V260 Q265 V267 | V260-P312 HydrophobicContact CG1-CB 4.03Å; Q265-P312 HydrophobicContact CB-CG 4.29Å; Q265-P312 VanDerWaalsContact OE1-CG 3.32Å; V267-P312 HydrophobicContact CG2-CB 4.12Å | ||
| 313 | T | 66.8 | Low | 66.4 | Low | 55 Ų | 55 | 54 Ų | 54 | 34% | 0.337 | 32% | 0.318 | S | S | . | . | trans | -69 | 152.7 | 173 | 56.8 | 0 | 0 | 0 | 0 | 111.6 | R258 A311 D315 | R258-T313 PolarHBondContact NH1-O 3.41Å; A311-T313 HydrophobicContact CB-CG2 4.18Å; A311-T313 PolarHBondContact O-N 2.91Å; T313-D315 PolarHBondContact OG1-O 3.17Å | ||
| 314 | I | 57.5 | Low | 65.5 | Low | 126 Ų | 126 | 54.5 Ų | 54.5 | 65% | 0.646 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -72.4 | -46 | 168.2 | -57.6 | 178.7 | 0 | 0 | 0 | 108.3 | G316 | I314-G316 PolarHBondContact O-N 2.72Å; I314-G316 VanDerWaalsContact O-N 3.1Å |
| 315 | D | 56.9 | Low | 64.3 | Low | 136 Ų | 136 | 55.3 Ų | 55.3 | 73% | 0.727 | 33% | 0.325 | S | S | * | . | trans | -82.1 | 84.7 | 179.2 | -36.3 | -82 | 0 | 0 | 0 | 109.3 | T313 | T313-D315 PolarHBondContact OG1-O 3.17Š| ||
| 316 | G | 54.5 | Low | 63.2 | Low | 29 Ų | 29 | 54.3 Ų | 54.3 | 30% | 0.299 | 31% | 0.313 | S | S | . | . | P | Polyproline II helix | trans | -100.1 | 160.9 | 159.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | I314 | I314-G316 PolarHBondContact O-N 2.72Å; I314-G316 VanDerWaalsContact O-N 3.1Å |
| 317 | P | 55.1 | Low | 62.3 | Low | 44 Ų | 44 | 57.5 Ų | 57.5 | 29% | 0.286 | 32% | 0.317 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 154 | 169.2 | 26.4 | -34.2 | 0 | 0 | 0 | 110.6 | H307 | H307-P317 WeakPolarHBondContact O-CG 3.47Š|
| 318 | S | 52.2 | Low | 61.3 | Low | 46 Ų | 46 | 62.8 Ų | 62.8 | 32% | 0.322 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -64 | 148.1 | 178.5 | 84.5 | 0 | 0 | 0 | 0 | 110.3 | E320 D321 T322 | S318-E320 VanDerWaalsContact C-N 3.26Å; S318-D321 WeakPolarHBondContact CB-OD2 3.43Å; S318-D321 WeakPolarHBondContact O-CB 3.41Å; S318-D321 PolarHBondContact O-N 2.83Å; S318-D321 PolarHBondContact OG-N 3.32Å; S318-D321 PolarHBondContact OG-OD2 2.77Å; S318-T322 PolarHBondContact O-N 3.45Å; S318-T322 PolarHBondContact O-OG1 3.31Å |
| 319 | L | 53.7 | Low | 60 | Low | 30 Ų | 30 | 63.9 Ų | 63.9 | 16% | 0.157 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -80.3 | -21.3 | -176.9 | -145.9 | 59.9 | 0 | 0 | 0 | 110.9 | W256 R258 Y269 T322 L323 | W256-L319 WeakPolarHBondContact O-CD2 3.49Å; R258-L319 HydrophobicContact CB-CD1 4.16Å; R258-L319 HydrophobicContact CB-CD2 4.03Å; R258-L319 VanDerWaalsContact N-CD2 3.32Å; Y269-L319 HydrophobicContact CD1-CD1 4.12Å; Y269-L319 HydrophobicContact CE1-CD1 3.77Å; L319-T322 HydrophobicContact CD1-CG2 4.43Å; L319-T322 WeakPolarHBondContact O-CA 3.34Å; L319-T322 VanDerWaalsContact O-CB 3.31Å; L319-T322 WeakPolarHBondContact O-CB 3.37Å; L319-T322 PolarHBondContact O-N 3.22Å; L319-T322 VanDerWaalsContact O-N 3.15Å; L319-L323 PolarHBondContact O-N 3.19Å |
| 320 | E | 48.7 | Very low | 58.5 | Low | 125 Ų | 125 | 66.4 Ų | 66.4 | 58% | 0.584 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -59.4 | -42.6 | 163.9 | -63.8 | 70.8 | -160.8 | 0 | 0 | 111.3 | S318 T322 L323 N324 | S318-E320 VanDerWaalsContact C-N 3.26Å; E320-T322 VanDerWaalsContact C-N 3.28Å; E320-T322 PolarHBondContact O-N 2.97Å; E320-L323 PolarHBondContact O-N 3.21Å; E320-N324 WeakPolarHBondContact O-CB 3.15Å; E320-N324 PolarHBondContact O-N 2.73Å; E320-N324 PolarHBondContact O-ND2 3.37Å |
| 321 | D | 49.4 | Very low | 56.6 | Low | 75 Ų | 75 | 67.1 Ų | 67.1 | 40% | 0.401 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -63.1 | -37.2 | 171.3 | -68.5 | -52.5 | 0 | 0 | 0 | 111.3 | S318 N324 F325 | S318-D321 WeakPolarHBondContact CB-OD2 3.43Å; S318-D321 WeakPolarHBondContact O-CB 3.41Å; S318-D321 PolarHBondContact O-N 2.83Å; S318-D321 PolarHBondContact OG-N 3.32Å; S318-D321 PolarHBondContact OG-OD2 2.77Å; D321-N324 CarbonylContact O-C 3.42Å; D321-N324 PolarHBondContact O-N 3.23Å; D321-F325 VanDerWaalsContact O-CB 3.27Å; D321-F325 WeakPolarHBondContact O-CB 3.44Å; D321-F325 PolarHBondContact O-N 3.41Å |
| 322 | T | 53 | Low | 54.9 | Low | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -65.8 | -39.1 | 178.2 | -52 | 0 | 0 | 0 | 0 | 111.8 | F308 S318 L319 E320 F325 V326 | F308-T322 HydrophobicContact CE1-CG2 3.78Å; F308-T322 HydrophobicContact CE2-CG2 3.97Å; F308-T322 HydrophobicContact CZ-CG2 3.36Å; S318-T322 PolarHBondContact O-N 3.45Å; S318-T322 PolarHBondContact O-OG1 3.31Å; L319-T322 HydrophobicContact CD1-CG2 4.43Å; L319-T322 WeakPolarHBondContact O-CA 3.34Å; L319-T322 VanDerWaalsContact O-CB 3.31Å; L319-T322 WeakPolarHBondContact O-CB 3.37Å; L319-T322 PolarHBondContact O-N 3.22Å; L319-T322 VanDerWaalsContact O-N 3.15Å; E320-T322 VanDerWaalsContact C-N 3.28Å; E320-T322 PolarHBondContact O-N 2.97Å; T322-F325 WeakPolarHBondContact O-CB 3.25Å; T322-F325 PolarHBondContact O-N 3.21Å; T322-V326 WeakPolarHBondContact O-CG2 3.47Å; T322-V326 PolarHBondContact O-N 3.43Å |
| 323 | L | 51.5 | Low | 53.5 | Low | 46 Ų | 46 | 69 Ų | 69 | 24% | 0.241 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -68.3 | -42.7 | 172.8 | -69.8 | 167.8 | 0 | 0 | 0 | 111.9 | L319 E320 F325 V326 H327 | L319-L323 PolarHBondContact O-N 3.19Å; E320-L323 PolarHBondContact O-N 3.21Å; L323-F325 PolarHBondContact O-N 3.01Å; L323-V326 PolarHBondContact O-N 2.95Å; L323-H327 WeakPolarHBondContact O-CB 3.15Å; L323-H327 PolarHBondContact O-CD2 3.04Å; L323-H327 VanDerWaalsContact O-CD2 3.31Å; L323-H327 PolarHBondContact O-N 3.12Å |
| 324 | N | 54.3 | Low | 52 | Low | 88 Ų | 88 | 72 Ų | 72 | 47% | 0.471 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -65.7 | -20.8 | 172.9 | -76.1 | -65.1 | 0 | 0 | 0 | 113.1 | E320 D321 R328 | E320-N324 WeakPolarHBondContact O-CB 3.15Å; E320-N324 PolarHBondContact O-N 2.73Å; E320-N324 PolarHBondContact O-ND2 3.37Å; D321-N324 CarbonylContact O-C 3.42Å; D321-N324 PolarHBondContact O-N 3.23Å; N324-R328 VanDerWaalsContact O-CB 3.24Å; N324-R328 WeakPolarHBondContact O-CB 3.19Å; N324-R328 VanDerWaalsContact O-CG 3.29Å; N324-R328 WeakPolarHBondContact O-CG 3.41Å; N324-R328 PolarHBondContact O-N 3.44Å; N324-R328 PolarHBondContact O-NE 2.74Å |
| 325 | F | 56.5 | Low | 50.9 | Low | 17 Ų | 17 | 74.7 Ų | 74.7 | 8% | 0.075 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -80.8 | -46.8 | 173.3 | 173.7 | -108.1 | 0 | 0 | 0 | 111.3 | L303 I304 H307 D321 T322 L323 H327 R328 L329 | L303-F325 HydrophobicContact CB-CE2 3.84Å; L303-F325 HydrophobicContact CB-CZ 3.72Å; I304-F325 HydrophobicContact CG1-CE1 4.1Å; I304-F325 HydrophobicContact CG1-CZ 4.28Å; H307-F325 AromaticContact CE1-CD2 3.69Å; H307-F325 AromaticContact CE1-CE2 3.89Å; H307-F325 AromaticContact NE2-CD2 3.89Å; D321-F325 VanDerWaalsContact O-CB 3.27Å; D321-F325 WeakPolarHBondContact O-CB 3.44Å; D321-F325 PolarHBondContact O-N 3.41Å; T322-F325 WeakPolarHBondContact O-CB 3.25Å; T322-F325 PolarHBondContact O-N 3.21Å; L323-F325 PolarHBondContact O-N 3.01Å; F325-H327 PolarHBondContact O-N 3.47Å; F325-R328 CarbonylContact O-C 3.52Å; F325-R328 WeakPolarHBondContact O-CA 3.17Å; F325-R328 PolarHBondContact O-N 3.48Å; F325-L329 HydrophobicContact CD1-CD1 4.2Å; F325-L329 HydrophobicContact CE1-CD1 3.59Å; F325-L329 HydrophobicContact CE1-CG 4.27Å; F325-L329 HydrophobicContact CE2-CD1 4.35Å; F325-L329 HydrophobicContact CE2-CD2 4.3Å; F325-L329 HydrophobicContact CE2-CG 4.17Å; F325-L329 HydrophobicContact CZ-CD1 3.67Å; F325-L329 HydrophobicContact CZ-CD2 4.16Å; F325-L329 HydrophobicContact CZ-CG 3.99Å; F325-L329 PolarHBondContact O-N 2.75Å |
| 326 | V | 58.1 | Low | 49.7 | Very low | 30 Ų | 30 | 75.7 Ų | 75.7 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 175 | 173.5 | 0 | 0 | 0 | 0 | 111.3 | W256 T322 L323 R328 L329 H330 | W256-V326 HydrophobicContact CZ2-CG2 4.44Å; T322-V326 WeakPolarHBondContact O-CG2 3.47Å; T322-V326 PolarHBondContact O-N 3.43Å; L323-V326 PolarHBondContact O-N 2.95Å; V326-R328 VanDerWaalsContact C-N 3.32Å; V326-R328 PolarHBondContact O-N 2.98Å; V326-L329 PolarHBondContact O-N 3.12Å; V326-H330 PolarHBondContact O-N 2.82Å |
| 327 | H | 57 | Low | 48.7 | Very low | 134 Ų | 134 | 83.1 Ų | 83.1 | 62% | 0.62 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.4 | -31 | 172.6 | -77.9 | -61.4 | 0 | 0 | 0 | 113.1 | L323 F325 G331 | L323-H327 WeakPolarHBondContact O-CB 3.15Å; L323-H327 PolarHBondContact O-CD2 3.04Å; L323-H327 VanDerWaalsContact O-CD2 3.31Å; L323-H327 PolarHBondContact O-N 3.12Å; F325-H327 PolarHBondContact O-N 3.47Å; H327-G331 PolarHBondContact O-N 2.98Å |
| 328 | R | 55.4 | Low | 47.4 | Very low | 159 Ų | 159 | 86.2 Ų | 86.2 | 60% | 0.6 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -71.9 | -37.2 | 173 | -89.7 | -177.7 | -88.3 | -165.9 | -4.1 | 113 | N324 F325 V326 H330 G331 S332 | N324-R328 VanDerWaalsContact O-CB 3.24Å; N324-R328 WeakPolarHBondContact O-CB 3.19Å; N324-R328 VanDerWaalsContact O-CG 3.29Å; N324-R328 WeakPolarHBondContact O-CG 3.41Å; N324-R328 PolarHBondContact O-N 3.44Å; N324-R328 PolarHBondContact O-NE 2.74Å; F325-R328 CarbonylContact O-C 3.52Å; F325-R328 WeakPolarHBondContact O-CA 3.17Å; F325-R328 PolarHBondContact O-N 3.48Å; V326-R328 VanDerWaalsContact C-N 3.32Å; V326-R328 PolarHBondContact O-N 2.98Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-H330 PolarHBondContact O-N 3.11Å; R328-G331 CarbonylContact O-C 3.55Å; R328-G331 PolarHBondContact O-N 3.27Å; R328-S332 VanDerWaalsContact O-CB 3.3Å; R328-S332 WeakPolarHBondContact O-CB 3.31Å; R328-S332 PolarHBondContact O-N 3.43Å; R328-S332 PolarHBondContact O-OG 3.27Å; R328-S332 VanDerWaalsContact O-OG 3.06Å |
| 329 | L | 57 | Low | 46.5 | Very low | 24 Ų | 24 | 89.9 Ų | 89.9 | 13% | 0.126 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -59.1 | -44.6 | 172.3 | -74.3 | 174.3 | 0 | 0 | 0 | 111.2 | I300 F325 V326 G331 V333 | I300-L329 HydrophobicContact CG1-CD2 4.18Å; I300-L329 HydrophobicContact CG2-CD1 4.37Å; I300-L329 HydrophobicContact CG2-CD2 3.81Å; F325-L329 HydrophobicContact CD1-CD1 4.2Å; F325-L329 HydrophobicContact CE1-CD1 3.59Å; F325-L329 HydrophobicContact CE1-CG 4.27Å; F325-L329 HydrophobicContact CE2-CD1 4.35Å; F325-L329 HydrophobicContact CE2-CD2 4.3Å; F325-L329 HydrophobicContact CE2-CG 4.17Å; F325-L329 HydrophobicContact CZ-CD1 3.67Å; F325-L329 HydrophobicContact CZ-CD2 4.16Å; F325-L329 HydrophobicContact CZ-CG 3.99Å; F325-L329 PolarHBondContact O-N 2.75Å; V326-L329 PolarHBondContact O-N 3.12Å; L329-G331 VanDerWaalsContact C-N 3.29Å; L329-G331 PolarHBondContact O-N 2.89Å; L329-V333 HydrophobicContact CD2-CG2 4.32Å; L329-V333 WeakPolarHBondContact O-CG2 3.22Å; L329-V333 PolarHBondContact O-N 3.48Å |
| 330 | H | 52.7 | Low | 45.4 | Very low | 109 Ų | 109 | 99 Ų | 99 | 51% | 0.505 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.9 | -37.7 | 171.3 | -108.9 | -126 | 0 | 0 | 0 | 113 | N291 V326 R328 | N291-H330 PolarHBondContact OD1-CD2 3.41Å; N291-H330 VanDerWaalsContact OD1-CD2 3.32Å; N291-H330 PolarHBondContact OD1-NE2 2.68Å; V326-H330 PolarHBondContact O-N 2.82Å; R328-H330 VanDerWaalsContact C-N 3.33Å; R328-H330 PolarHBondContact O-N 3.11Å |
| 331 | G | 45.4 | Very low | 44.5 | Very low | 53 Ų | 53 | 99.4 Ų | 99.4 | 55% | 0.546 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -85.2 | -20.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | H327 R328 L329 | H327-G331 PolarHBondContact O-N 2.98Å; R328-G331 CarbonylContact O-C 3.55Å; R328-G331 PolarHBondContact O-N 3.27Å; L329-G331 VanDerWaalsContact C-N 3.29Å; L329-G331 PolarHBondContact O-N 2.89Å |
| 332 | S | 44.8 | Very low | 43.4 | Very low | 71 Ų | 71 | 101.7 Ų | 101.7 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -107.6 | -32.3 | -171.6 | 73.2 | 0 | 0 | 0 | 0 | 114.5 | R328 | R328-S332 VanDerWaalsContact O-CB 3.3Å; R328-S332 WeakPolarHBondContact O-CB 3.31Å; R328-S332 PolarHBondContact O-N 3.43Å; R328-S332 PolarHBondContact O-OG 3.27Å; R328-S332 VanDerWaalsContact O-OG 3.06Å |
| 333 | V | 43.5 | Very low | 42.3 | Very low | 52 Ų | 52 | 107.1 Ų | 107.1 | 32% | 0.315 | 57% | 0.567 | S | S | . | * | G | 310 helix | trans | -79.2 | -28.9 | -175.8 | -173 | 0 | 0 | 0 | 0 | 111.6 | I300 L329 K335 | I300-V333 HydrophobicContact CD1-CG2 3.84Å; L329-V333 HydrophobicContact CD2-CG2 4.32Å; L329-V333 WeakPolarHBondContact O-CG2 3.22Å; L329-V333 PolarHBondContact O-N 3.48Å; V333-K335 PolarHBondContact O-N 2.92Å |
| 334 | L | 34.9 | Very low | 41.2 | Very low | 118 Ų | 118 | 110.2 Ų | 110.2 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -75.3 | 22.1 | 175.1 | -74.2 | 171.5 | 0 | 0 | 0 | 114.6 | ||
| 335 | K | 35.3 | Very low | 40 | Very low | 181 Ų | 181 | 113.9 Ų | 113.9 | 79% | 0.787 | 61% | 0.606 | S | S | * | * | G | 310 helix | trans | -140 | 2.2 | -176.5 | -90.7 | -163.5 | 170.9 | -168.8 | 0 | 116.6 | V333 E337 | V333-K335 PolarHBondContact O-N 2.92Å; K335-E337 PolarHBondContact O-N 3.15Å |
| 336 | D | 31.6 | Very low | 38.6 | Very low | 158 Ų | 158 | 121.6 Ų | 121.6 | 85% | 0.845 | 64% | 0.64 | S | S | * | * | trans | -100.9 | 52.8 | -175.8 | -150.8 | 4.5 | 0 | 0 | 0 | 112.7 | ||||
| 337 | E | 32 | Very low | 37.3 | Very low | 184 Ų | 184 | 126.3 Ų | 126.3 | 86% | 0.86 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -143.3 | 113 | 163.7 | -165.4 | 160.9 | -155.5 | 0 | 0 | 112.3 | K335 | K335-E337 PolarHBondContact O-N 3.15Š|
| 338 | S | 27.5 | Very low | 35.8 | Very low | 110 Ų | 110 | 125.9 Ų | 125.9 | 77% | 0.769 | 67% | 0.671 | S | S | * | * | S | Bend | trans | 74.6 | 153.2 | 173.9 | -155.9 | 0 | 0 | 0 | 0 | 118.5 | ||
| 339 | V | 34.5 | Very low | 34.4 | Very low | 122 Ų | 122 | 124.1 Ų | 124.1 | 74% | 0.739 | 68% | 0.678 | S | S | * | * | trans | 59.5 | 84.2 | 176.6 | -163.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 340 | R | 30.7 | Very low | 33.2 | Very low | 223 Ų | 223 | 128.7 Ų | 128.7 | 84% | 0.842 | 71% | 0.707 | S | S | * | * | 55.3 | 127.3 | 86.2 | -64.2 | -171.6 | -172.7 | 155.5 | 4.7 | 115.5 | |||||
| 341 | D | 28.4 | Very low | 31.8 | Very low | 132 Ų | 132 | 128.1 Ų | 128.1 | 71% | 0.706 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 62.5 | 100.2 | 152.3 | -50.4 | -34.2 | 0 | 0 | 0 | 119.4 | ||
| 342 | S | 26.5 | Very low | 31 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 86% | 0.86 | 73% | 0.728 | S | S | * | * | 67.9 | 52 | 127 | -53.2 | 0 | 0 | 0 | 0 | 119.6 | |||||
| 343 | V | 31.5 | Very low | 30.2 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 70% | 0.703 | 74% | 0.739 | S | S | * | * | trans | -124.5 | 95.1 | 162.6 | -172.2 | 0 | 0 | 0 | 0 | 112.6 | F346 | V343-F346 HydrophobicContact CG1-CD2 4.43Š| ||
| 344 | S | 28.6 | Very low | 29.6 | Very low | 110 Ų | 110 | 137.3 Ų | 137.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -85.1 | 152 | 142.9 | -174.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 345 | Q | 27.4 | Very low | 29.2 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | 67.6 | 98.2 | -175.8 | -43.9 | 174.8 | 24.4 | 0 | 0 | 116.1 | ||||
| 346 | F | 27.9 | Very low | 29 | Very low | 179 Ų | 179 | 136.9 Ų | 136.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | -157.8 | 118.2 | 129.2 | -92.9 | -79.2 | 0 | 0 | 0 | 105.2 | V343 | V343-F346 HydrophobicContact CG1-CD2 4.43Š| |||
| 347 | L | 30.1 | Very low | 28.9 | Very low | 130 Ų | 130 | 134.1 Ų | 134.1 | 68% | 0.681 | 78% | 0.776 | S | S | * | * | 53.2 | 119.3 | 94.1 | -77.8 | 74.1 | 0 | 0 | 0 | 112.5 | |||||
| 348 | T | 25.7 | Very low | 28.9 | Very low | 124 Ų | 124 | 132.2 Ų | 132.2 | 76% | 0.761 | 77% | 0.772 | S | S | * | * | 75.8 | 109.2 | 62.7 | -59 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 349 | T | 26.5 | Very low | 29 | Very low | 123 Ų | 123 | 131.6 Ų | 131.6 | 76% | 0.755 | 77% | 0.768 | S | S | * | * | trans | 67.6 | 153.8 | -173.8 | -1.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 350 | V | 30.8 | Very low | 28.9 | Very low | 120 Ų | 120 | 131.6 Ų | 131.6 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | cis | -141.5 | 123.2 | 16.8 | -175.9 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 351 | S | 25.3 | Very low | 28.8 | Very low | 97 Ų | 97 | 126.1 Ų | 126.1 | 68% | 0.678 | 76% | 0.764 | S | S | * | * | 52 | 140 | 94.7 | -41.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 352 | S | 27.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | 70.3 | 156.4 | 169.2 | 78.7 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 353 | S | 26.9 | Very low | 28.9 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -175.7 | 134.6 | -37.6 | 54.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 354 | V | 32.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 90% | 0.897 | 77% | 0.773 | S | S | * | * | trans | -159.8 | 145.2 | 150.8 | -108.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 355 | N | 26.6 | Very low | 28.8 | Very low | 164 Ų | 164 | 132.6 Ų | 132.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -111.6 | 142.7 | 173.4 | -57.2 | -30.9 | 0 | 0 | 0 | 109.3 | ||||
| 356 | S | 30.1 | Very low | 29 | Very low | 127 Ų | 127 | 130.6 Ų | 130.6 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | trans | -147.3 | 144.1 | 156.2 | 47 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 357 | S | 29.3 | Very low | 29.1 | Very low | 100 Ų | 100 | 127.3 Ų | 127.3 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -124.7 | -174 | -161.7 | 60 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 358 | D | 32 | Very low | 29.2 | Very low | 144 Ų | 144 | 129.4 Ų | 129.4 | 77% | 0.77 | 79% | 0.788 | S | S | * | * | trans | 83.1 | 149.7 | 163.6 | -47.3 | -9.8 | 0 | 0 | 0 | 116.7 | ||||
| 359 | S | 29 | Very low | 29.4 | Very low | 97 Ų | 97 | 132.2 Ų | 132.2 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | cis | -170.6 | 178.5 | -38.7 | 54.2 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 360 | V | 32.4 | Very low | 29.7 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | trans | 71.9 | 111 | 169.5 | -167.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 361 | S | 28.5 | Very low | 29.6 | Very low | 108 Ų | 108 | 131.7 Ų | 131.7 | 76% | 0.755 | 79% | 0.793 | S | S | * | * | 64.3 | 150.5 | 76.8 | -49.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 362 | Q | 31 | Very low | 29.8 | Very low | 181 Ų | 181 | 133.2 Ų | 133.2 | 85% | 0.846 | 80% | 0.799 | S | S | * | * | cis | -167.2 | 144.3 | 20.8 | -154.8 | 177.3 | 30.5 | 0 | 0 | 113.2 | ||||
| 363 | A | 27.2 | Very low | 29.8 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 75% | 0.752 | 80% | 0.797 | S | S | * | * | trans | 56.2 | 174.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 364 | V | 30.6 | Very low | 30 | Very low | 144 Ų | 144 | 139.1 Ų | 139.1 | 87% | 0.873 | 80% | 0.804 | S | S | * | * | cis | -138.6 | 167.1 | 14.3 | 178.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 365 | K | 27.3 | Very low | 30 | Very low | 201 Ų | 201 | 139.6 Ų | 139.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -99.5 | 154.9 | -175.7 | -55.5 | 174.4 | 179.5 | 178.7 | 0 | 115.4 | ||||
| 366 | S | 31.2 | Very low | 30 | Very low | 123 Ų | 123 | 137 Ų | 137 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | trans | -158.9 | -178.1 | 150.4 | 57.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 367 | S | 29.3 | Very low | 30.2 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 79% | 0.788 | S | S | * | * | -146.5 | -171.8 | -96.3 | -157.7 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 368 | E | 32.7 | Very low | 30.2 | Very low | 175 Ų | 175 | 141 Ų | 141 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | 72.8 | 108.1 | 170.7 | -58.3 | 178.6 | 153.8 | 0 | 0 | 113.8 | ||||
| 369 | E | 30.2 | Very low | 30.4 | Very low | 182 Ų | 182 | 139.9 Ų | 139.9 | 85% | 0.85 | 79% | 0.785 | S | S | * | * | 63.3 | 132.8 | 63.6 | -57 | -163.5 | 176.4 | 0 | 0 | 112.4 | |||||
| 370 | V | 32.9 | Very low | 30.5 | Very low | 133 Ų | 133 | 141.5 Ų | 141.5 | 81% | 0.806 | 79% | 0.786 | S | S | * | * | -148.3 | 162 | 50.7 | 166.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 371 | S | 28.8 | Very low | 30.5 | Very low | 100 Ų | 100 | 146.4 Ų | 146.4 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | trans | -36.9 | 167.7 | 168.8 | -50.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 372 | T | 28.5 | Very low | 30.6 | Very low | 128 Ų | 128 | 146.7 Ų | 146.7 | 79% | 0.785 | 80% | 0.795 | S | S | * | * | cis | -162.4 | 174.8 | 31.6 | -20.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 373 | C | 29.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 143.1 Ų | 143.1 | 78% | 0.777 | 79% | 0.787 | S | S | * | * | cis | -138.8 | -163.7 | 21.3 | -66.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 374 | R | 29.6 | Very low | 30.8 | Very low | 230 Ų | 230 | 146.2 Ų | 146.2 | 87% | 0.868 | 79% | 0.791 | S | S | * | * | trans | -131.1 | 156.2 | 168.4 | -77.4 | -179.4 | 168.6 | 177.1 | -5.8 | 112 | ||||
| 375 | I | 32.6 | Very low | 30.8 | Very low | 158 Ų | 158 | 143.8 Ų | 143.8 | 81% | 0.81 | 78% | 0.781 | S | S | * | * | trans | -130 | 135.9 | 155.7 | -62.7 | 177.7 | 0 | 0 | 0 | 106.4 | F377 | I375-F377 HydrophobicContact CG2-CE2 4.15Š| ||
| 376 | T | 27.1 | Very low | 31.1 | Very low | 110 Ų | 110 | 141.1 Ų | 141.1 | 68% | 0.675 | 78% | 0.776 | S | S | * | * | trans | -119.7 | 138.2 | -171.8 | -36.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 377 | F | 33.3 | Very low | 31.1 | Very low | 193 Ų | 193 | 142.1 Ų | 142.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -132.8 | 134.9 | 162.5 | -78.1 | -81.8 | 0 | 0 | 0 | 108.5 | I375 | I375-F377 HydrophobicContact CG2-CE2 4.15Š| ||
| 378 | N | 30.6 | Very low | 31.3 | Very low | 117 Ų | 117 | 144 Ų | 144 | 63% | 0.626 | 77% | 0.772 | S | S | * | * | trans | -110.3 | 130.3 | -166.9 | -152.6 | 50 | 0 | 0 | 0 | 111.9 | D380 | N378-D380 PolarHBondContact ND2-OD1 3.49Å; N378-D380 PolarHBondContact ND2-OD2 2.91Å | ||
| 379 | P | 37 | Very low | 31.1 | Very low | 120 Ų | 120 | 141.2 Ų | 141.2 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -115.9 | 83.8 | 167.2 | 36 | -23.2 | 0 | 0 | 0 | 111.2 | Y381 | P379-Y381 PolarHBondContact O-N 3.4Š| ||
| 380 | D | 29.9 | Very low | 31.3 | Very low | 131 Ų | 131 | 137 Ų | 137 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -69.9 | 98.4 | 174.7 | -63.7 | -54.8 | 0 | 0 | 0 | 111.2 | N378 | N378-D380 PolarHBondContact ND2-OD1 3.49Å; N378-D380 PolarHBondContact ND2-OD2 2.91Å | ||
| 381 | Y | 31.7 | Very low | 31.5 | Very low | 226 Ų | 226 | 139.7 Ų | 139.7 | 89% | 0.886 | 77% | 0.768 | S | S | * | * | trans | -146.8 | 84.4 | 158.9 | -113.8 | -78.5 | 0 | 0 | 0 | 111 | P379 P383 | P379-Y381 PolarHBondContact O-N 3.4Å; Y381-P383 WeakPolarHBondContact O-CD 3.32Å | ||
| 382 | S | 30.9 | Very low | 31.5 | Very low | 114 Ų | 114 | 146.2 Ų | 146.2 | 80% | 0.797 | 78% | 0.778 | S | S | * | * | trans | -80.3 | 122.1 | 170.6 | -178.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 383 | P | 33.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 145.9 Ų | 145.9 | 68% | 0.682 | 78% | 0.78 | S | S | * | * | trans | -89 | 121.5 | 170.9 | 32.9 | -28.7 | 0 | 0 | 0 | 110.4 | Y381 | Y381-P383 WeakPolarHBondContact O-CD 3.32Š| ||
| 384 | N | 29.9 | Very low | 31.7 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | 179.6 | 172 | 146.7 | -99.5 | -38.6 | 0 | 0 | 0 | 113.7 | ||||
| 385 | S | 31.7 | Very low | 32 | Very low | 94 Ų | 94 | 146.1 Ų | 146.1 | 66% | 0.657 | 78% | 0.781 | S | S | * | * | trans | 64.3 | 118.9 | 164.8 | 50.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 386 | D | 32.7 | Very low | 32.2 | Very low | 144 Ų | 144 | 142.6 Ų | 142.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 68.7 | 144.6 | 132 | -58.1 | -7.6 | 0 | 0 | 0 | 120.2 | ||||
| 387 | L | 31.1 | Very low | 32.5 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 75% | 0.754 | 78% | 0.776 | S | S | * | * | cis | -175.3 | 171.5 | -26.5 | -116.7 | 167.4 | 0 | 0 | 0 | 105.6 | ||||
| 388 | L | 33.6 | Very low | 32.6 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | trans | 74.7 | 119.6 | 168.1 | -50 | 175.1 | 0 | 0 | 0 | 119.9 | ||||
| 389 | S | 29.5 | Very low | 32.9 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | 67.8 | 140.8 | 125 | -63.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 390 | A | 34 | Very low | 32.8 | Very low | 92 Ų | 92 | 144.1 Ų | 144.1 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | cis | -158.3 | 149.9 | 3.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 391 | K | 36 | Very low | 33 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 20.5 | 141.6 | 144.4 | -76.9 | 177.3 | 175.5 | 170 | 0 | 123.4 | ||||
| 392 | R | 29.5 | Very low | 33.1 | Very low | 238 Ų | 238 | 135.7 Ų | 135.7 | 90% | 0.898 | 76% | 0.76 | S | S | * | * | trans | 77.9 | 154.3 | 153.1 | -71.6 | 171.1 | 168.9 | -175.7 | -6 | 116 | ||||
| 393 | S | 31.2 | Very low | 33.3 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | cis | -133.1 | -175.7 | 13.6 | -158.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 394 | K | 31 | Very low | 33.2 | Very low | 193 Ų | 193 | 137.8 Ų | 137.8 | 84% | 0.839 | 76% | 0.764 | S | S | * | * | trans | -146.1 | 126.7 | -171.9 | 179 | -166.8 | 178.5 | -170.8 | 0 | 112.4 | ||||
| 395 | L | 37 | Very low | 33.3 | Very low | 157 Ų | 157 | 138.7 Ų | 138.7 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | -152.8 | 124.4 | 169.4 | -73.6 | -177.9 | 0 | 0 | 0 | 106 | ||||
| 396 | S | 35.1 | Very low | 33.4 | Very low | 84 Ų | 84 | 141.9 Ų | 141.9 | 59% | 0.587 | 77% | 0.768 | S | S | * | * | 65 | 131.8 | 71.9 | 69 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 397 | D | 33.2 | Very low | 33.4 | Very low | 147 Ų | 147 | 144 Ų | 144 | 79% | 0.786 | 77% | 0.771 | S | S | * | * | cis | -160.7 | -164.5 | -4.2 | -101.6 | -32.2 | 0 | 0 | 0 | 109.3 | ||||
| 398 | D | 36.6 | Very low | 33.2 | Very low | 141 Ų | 141 | 144.1 Ų | 144.1 | 75% | 0.754 | 77% | 0.767 | S | S | * | * | trans | 74.8 | 149.6 | 161.9 | -63.4 | -12.1 | 0 | 0 | 0 | 120.2 | ||||
| 399 | L | 36.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 142 Ų | 142 | 66% | 0.66 | 76% | 0.763 | S | S | * | * | cis | -163.5 | 138 | -20.4 | -108.6 | 169.5 | 0 | 0 | 0 | 110.3 | ||||
| 400 | L | 35.7 | Very low | 33 | Very low | 159 Ų | 159 | 141.1 Ų | 141.1 | 83% | 0.832 | 76% | 0.756 | S | S | * | * | trans | 65.8 | 158.1 | 159.8 | -51.3 | 168.3 | 0 | 0 | 0 | 117.1 | ||||
| 401 | S | 33.2 | Very low | 33.1 | Very low | 96 Ų | 96 | 144.6 Ų | 144.6 | 67% | 0.671 | 76% | 0.761 | S | S | * | * | cis | -150.1 | 151.8 | 5 | -167 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 402 | S | 35.3 | Very low | 32.7 | Very low | 84 Ų | 84 | 143 Ų | 143 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | trans | 38.1 | 107.6 | 146.2 | 59.7 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 403 | D | 35 | Very low | 32.8 | Very low | 149 Ų | 149 | 141.4 Ų | 141.4 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | 97.6 | 150.4 | 95 | -78.7 | -60.3 | 0 | 0 | 0 | 113.3 | |||||
| 404 | C | 31 | Very low | 32.8 | Very low | 113 Ų | 113 | 139.7 Ų | 139.7 | 76% | 0.764 | 76% | 0.761 | S | S | * | * | cis | -141.9 | -175.2 | 12 | -154.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 405 | K | 30.2 | Very low | 32.6 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 76% | 0.761 | 76% | 0.764 | S | S | * | * | trans | -73.2 | 165.2 | -170.2 | -62.3 | 160.1 | -177 | 163.5 | 0 | 112.8 | ||||
| 406 | I | 34.3 | Very low | 32.2 | Very low | 162 Ų | 162 | 138 Ų | 138 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | -161.9 | 113.7 | 80.4 | -82.4 | 157.8 | 0 | 0 | 0 | 112.7 | |||||
| 407 | K | 33.2 | Very low | 31.8 | Very low | 189 Ų | 189 | 140 Ų | 140 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | 60.5 | 100.2 | 127.5 | -155 | 174.5 | -172.9 | -178.2 | 0 | 121.6 | |||||
| 408 | E | 26.8 | Very low | 31.6 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | trans | -73.6 | 165.5 | 143.5 | -150.8 | -159.8 | 131.4 | 0 | 0 | 110.1 | S410 | E408-S410 VanDerWaalsContact OE1-CB 3.24Å; E408-S410 WeakPolarHBondContact OE1-CB 3.29Å; E408-S410 PolarHBondContact OE1-N 3.41Å; E408-S410 PolarHBondContact OE1-OG 3.47Å | ||
| 409 | P | 31.8 | Very low | 31 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 69% | 0.688 | 77% | 0.772 | S | S | * | * | -151 | 143 | 96.2 | 37.9 | -20.6 | 0 | 0 | 0 | 116.4 | |||||
| 410 | S | 27.8 | Very low | 30.5 | Very low | 97 Ų | 97 | 140 Ų | 140 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -78.9 | 146.4 | 159 | 41.5 | 0 | 0 | 0 | 0 | 111.9 | E408 | E408-S410 VanDerWaalsContact OE1-CB 3.24Å; E408-S410 WeakPolarHBondContact OE1-CB 3.29Å; E408-S410 PolarHBondContact OE1-N 3.41Å; E408-S410 PolarHBondContact OE1-OG 3.47Å | ||
| 411 | I | 34.9 | Very low | 30.2 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.78 | S | S | * | * | trans | -120.7 | 138.5 | 175 | -64.7 | -180 | 0 | 0 | 0 | 109.4 | ||||
| 412 | L | 28.2 | Very low | 29.9 | Very low | 155 Ų | 155 | 140 Ų | 140 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -125.4 | 156.1 | -168.4 | -122.9 | 168.5 | 0 | 0 | 0 | 111 | ||||
| 413 | K | 30.9 | Very low | 29.7 | Very low | 206 Ų | 206 | 140.5 Ų | 140.5 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | 76.1 | 139.6 | 173.8 | -56.2 | 175 | 176.9 | 177.3 | 0 | 116.6 | ||||
| 414 | G | 31.7 | Very low | 29.5 | Very low | 84 Ų | 84 | 139.7 Ų | 139.7 | 87% | 0.866 | 80% | 0.798 | S | S | * | * | trans | 172.9 | 56.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 415 | Q | 26.5 | Very low | 29.5 | Very low | 193 Ų | 193 | 139.1 Ų | 139.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -102.1 | 122.4 | -173 | -179.9 | -175 | 10.9 | 0 | 0 | 111.1 | ||||
| 416 | S | 29.2 | Very low | 29.4 | Very low | 120 Ų | 120 | 136 Ų | 136 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -176.4 | 178.9 | 156.7 | 41.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 417 | V | 26.9 | Very low | 29.1 | Very low | 127 Ų | 127 | 132.4 Ų | 132.4 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -137.1 | 167.3 | -160.2 | -148.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 418 | N | 27.8 | Very low | 28.7 | Very low | 141 Ų | 141 | 129.1 Ų | 129.1 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | 91.4 | 143.1 | 151.8 | -72.8 | -15.2 | 0 | 0 | 0 | 121.5 | ||||
| 419 | C | 24.3 | Very low | 28.7 | Very low | 113 Ų | 113 | 126.9 Ų | 126.9 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | 76.1 | 101.5 | 148.2 | -70.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 420 | L | 25.1 | Very low | 28.5 | Very low | 159 Ų | 159 | 127.4 Ų | 127.4 | 83% | 0.832 | 79% | 0.791 | S | S | * | * | 67 | 109.1 | 106.9 | -167.7 | 81.9 | 0 | 0 | 0 | 119.2 | |||||
| 421 | A | 29.6 | Very low | 28.5 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -163.9 | 148.1 | 130.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 422 | N | 26.4 | Very low | 28 | Very low | 158 Ų | 158 | 127.6 Ų | 127.6 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | trans | -59.1 | 149.8 | -177.4 | -57.1 | -25 | 0 | 0 | 0 | 116 | ||||
| 423 | A | 31.9 | Very low | 27.9 | Very low | 94 Ų | 94 | 128.7 Ų | 128.7 | 78% | 0.777 | 79% | 0.786 | S | S | * | * | trans | -150.4 | 130.3 | 130.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 424 | T | 31.3 | Very low | 27.6 | Very low | 131 Ų | 131 | 125.5 Ų | 125.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -14.8 | 152.2 | 154.4 | 45.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 425 | S | 30.7 | Very low | 27.4 | Very low | 102 Ų | 102 | 125.5 Ų | 125.5 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | cis | 179.7 | 167 | -0.7 | 46.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 426 | S | 28.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 121.4 Ų | 121.4 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | trans | 71.9 | 132.8 | 168.1 | -145.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 427 | A | 26.6 | Very low | 27.3 | Very low | 85 Ų | 85 | 122 Ų | 122 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | cis | 66.5 | 139.6 | 37.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 428 | C | 26.2 | Very low | 27.2 | Very low | 120 Ų | 120 | 123.6 Ų | 123.6 | 81% | 0.811 | 76% | 0.761 | S | S | * | * | cis | -144.5 | 175.3 | 8.7 | -151.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 429 | S | 25.1 | Very low | 27.1 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 69% | 0.692 | 76% | 0.761 | S | S | * | * | trans | -46.5 | 160.9 | 166.7 | -41.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 430 | T | 29.4 | Very low | 27.1 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | 172.5 | 129.9 | 113.6 | -73.2 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 431 | Q | 27.5 | Very low | 27.1 | Very low | 175 Ų | 175 | 125.1 Ų | 125.1 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | 19.7 | 150.2 | 149.3 | -53.2 | 163.6 | 9.1 | 0 | 0 | 122.5 | ||||
| 432 | S | 24.4 | Very low | 26.9 | Very low | 92 Ų | 92 | 126.8 Ų | 126.8 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | 72.8 | 147.3 | 157.1 | -136.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 433 | F | 25.7 | Very low | 27 | Very low | 177 Ų | 177 | 127.3 Ų | 127.3 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | -127.1 | 139.9 | 17.2 | -74.9 | -102.2 | 0 | 0 | 0 | 113.5 | ||||
| 434 | V | 25.3 | Very low | 26.7 | Very low | 140 Ų | 140 | 129.7 Ų | 129.7 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -81 | 122.3 | 144.1 | 174.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 435 | S | 27.5 | Very low | 26.4 | Very low | 83 Ų | 83 | 128.3 Ų | 128.3 | 58% | 0.58 | 75% | 0.753 | S | S | * | * | trans | -149 | 87.6 | 169.6 | -72.9 | 0 | 0 | 0 | 0 | 108.8 | N437 | S435-N437 PolarHBondContact O-N 3.14Å; S435-N437 VanDerWaalsContact O-N 3.09Å | ||
| 436 | S | 24.5 | Very low | 26.3 | Very low | 108 Ų | 108 | 128.8 Ų | 128.8 | 76% | 0.755 | 75% | 0.752 | S | S | * | * | trans | -63.5 | 99.5 | 166 | 48.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 437 | N | 28.4 | Very low | 26.2 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 75% | 0.748 | S | S | * | * | trans | -113.1 | 105.5 | 166.4 | -80.6 | -22.2 | 0 | 0 | 0 | 108.5 | S435 C439 | S435-N437 PolarHBondContact O-N 3.14Å; S435-N437 VanDerWaalsContact O-N 3.09Å; N437-C439 PolarHBondContact O-N 3.1Å | ||
| 438 | N | 24.9 | Very low | 26.3 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 75% | 0.748 | S | S | * | * | trans | -67.4 | 110.5 | 160.9 | -72.9 | -9.1 | 0 | 0 | 0 | 107.3 | ||||
| 439 | C | 26.5 | Very low | 26.6 | Very low | 110 Ų | 110 | 132 Ų | 132 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | trans | -116.6 | 86.4 | 167.5 | -70.1 | 0 | 0 | 0 | 0 | 108.3 | N437 | N437-C439 PolarHBondContact O-N 3.1Š| ||
| 440 | E | 23.4 | Very low | 26.8 | Very low | 184 Ų | 184 | 135.5 Ų | 135.5 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | trans | -59.8 | 133.5 | 160.4 | -58.2 | 171.6 | 119.6 | 0 | 0 | 109 | ||||
| 441 | L | 25.1 | Very low | 26.9 | Very low | 151 Ų | 151 | 135.3 Ų | 135.3 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | trans | -165.7 | 104.5 | 156.2 | -94.4 | 137.2 | 0 | 0 | 0 | 105.5 | ||||
| 442 | N | 24.8 | Very low | 26.9 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | 61.6 | 102.1 | 90.4 | -78.4 | -22.4 | 0 | 0 | 0 | 114.3 | |||||
| 443 | I | 28.4 | Very low | 27.3 | Very low | 169 Ų | 169 | 131.8 Ų | 131.8 | 87% | 0.867 | 74% | 0.743 | S | S | * | * | -151.1 | 107.4 | 119.2 | -82.4 | 126.9 | 0 | 0 | 0 | 103.5 | |||||
| 444 | L | 25.7 | Very low | 27.6 | Very low | 144 Ų | 144 | 130.1 Ų | 130.1 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | 81.3 | 151.5 | 54.8 | -166.3 | 65.3 | 0 | 0 | 0 | 112.4 | |||||
| 445 | C | 26.6 | Very low | 27.8 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 69% | 0.689 | 73% | 0.734 | S | S | * | * | trans | 82.6 | 99.9 | -176.5 | -62.4 | 0 | 0 | 0 | 0 | 115 | ||||
| 446 | T | 27.5 | Very low | 27.9 | Very low | 112 Ų | 112 | 133.4 Ų | 133.4 | 69% | 0.687 | 74% | 0.742 | S | S | * | * | 81.2 | 137.3 | 65 | 63 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 447 | D | 27.7 | Very low | 28.1 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 68% | 0.679 | 74% | 0.739 | S | S | * | * | cis | -163 | 167 | 7 | -128.2 | -31.4 | 0 | 0 | 0 | 114.2 | ||||
| 448 | T | 28.7 | Very low | 28.2 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 74% | 0.74 | S | S | * | * | trans | 59.9 | 144.3 | 152.6 | 54.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 449 | L | 30.7 | Very low | 28.5 | Very low | 140 Ų | 140 | 137.3 Ų | 137.3 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | cis | -150.1 | 133.9 | -3.6 | -96.9 | 149.8 | 0 | 0 | 0 | 106.3 | ||||
| 450 | H | 29.6 | Very low | 28.4 | Very low | 171 Ų | 171 | 135.4 Ų | 135.4 | 79% | 0.792 | 73% | 0.733 | S | S | * | * | 62.7 | 146 | 94.1 | -86.5 | 2.3 | 0 | 0 | 0 | 116.4 | |||||
| 451 | T | 31.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 132.4 Ų | 132.4 | 69% | 0.693 | 73% | 0.729 | S | S | * | * | cis | -141.5 | 149.9 | 27.3 | 53 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 452 | S | 29.1 | Very low | 28.9 | Very low | 92 Ų | 92 | 129.6 Ų | 129.6 | 64% | 0.643 | 72% | 0.722 | S | S | * | * | trans | 46.6 | 138.3 | 140.4 | 68.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 453 | S | 32.7 | Very low | 29 | Very low | 102 Ų | 102 | 127.8 Ų | 127.8 | 71% | 0.713 | 72% | 0.72 | S | S | * | * | cis | -149.3 | 150 | 28.1 | -67.5 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 454 | I | 30.8 | Very low | 29 | Very low | 141 Ų | 141 | 127.9 Ų | 127.9 | 72% | 0.723 | 71% | 0.714 | S | S | * | * | 65.6 | 115.2 | 52.8 | -60.6 | 172.6 | 0 | 0 | 0 | 110 | |||||
| 455 | N | 31.2 | Very low | 29.2 | Very low | 133 Ų | 133 | 128.2 Ų | 128.2 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | cis | -138.5 | 147.9 | 6.5 | -94 | -25.1 | 0 | 0 | 0 | 109.8 | ||||
| 456 | Q | 29.5 | Very low | 29.4 | Very low | 159 Ų | 159 | 128.7 Ų | 128.7 | 74% | 0.743 | 71% | 0.707 | S | S | * | * | 51.5 | 101.9 | 81.1 | -64.1 | -153.9 | 10.6 | 0 | 0 | 114.4 | |||||
| 457 | I | 28.5 | Very low | 29.6 | Very low | 139 Ų | 139 | 128.9 Ų | 128.9 | 71% | 0.713 | 70% | 0.704 | S | S | * | * | 82.8 | 114.3 | 91.5 | -72.3 | 161.7 | 0 | 0 | 0 | 113.5 | |||||
| 458 | R | 29.4 | Very low | 29.6 | Very low | 189 Ų | 189 | 131.4 Ų | 131.4 | 71% | 0.713 | 71% | 0.712 | S | S | * | * | 157.6 | 132.7 | 120.8 | -175.8 | 163.9 | -75.6 | -105.1 | 9 | 113 | |||||
| 459 | E | 31.3 | Very low | 29.6 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 72% | 0.724 | 71% | 0.706 | S | S | * | * | trans | 51 | 143.7 | 161 | -74.1 | 132 | -140.1 | 0 | 0 | 121.3 | ||||
| 460 | G | 24.8 | Very low | 29.6 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 71% | 0.712 | S | S | * | * | trans | -105.2 | -149.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 461 | P | 32.1 | Very low | 29.8 | Very low | 120 Ų | 120 | 129.6 Ų | 129.6 | 78% | 0.779 | 70% | 0.7 | S | S | * | * | cis | -127 | -153.9 | 5.9 | 41.2 | -23.5 | 0 | 0 | 0 | 112.5 | ||||
| 462 | S | 26.8 | Very low | 29.9 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 65% | 0.65 | 71% | 0.706 | S | S | * | * | trans | 60 | 105.8 | 152.1 | 60.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 463 | S | 26.4 | Very low | 30.1 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 67% | 0.671 | 71% | 0.713 | S | S | * | * | 74.8 | 154.5 | 124.4 | 71.6 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 464 | F | 29 | Very low | 29.9 | Very low | 172 Ų | 172 | 138.7 Ų | 138.7 | 75% | 0.754 | 72% | 0.715 | S | S | * | * | trans | 64.2 | 110.6 | 173.2 | -68.7 | -82.5 | 0 | 0 | 0 | 115.2 | ||||
| 465 | E | 30.4 | Very low | 30 | Very low | 151 Ų | 151 | 139 Ų | 139 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | 76.6 | 140.9 | 77.5 | -81.4 | -140.2 | 111.2 | 0 | 0 | 114 | |||||
| 466 | N | 29.2 | Very low | 30.1 | Very low | 111 Ų | 111 | 138.3 Ų | 138.3 | 59% | 0.594 | 71% | 0.714 | S | S | * | * | cis | -163.3 | 168.3 | -21.1 | -149.8 | -21 | 0 | 0 | 0 | 109.3 | ||||
| 467 | N | 31.6 | Very low | 30.1 | Very low | 116 Ų | 116 | 137.6 Ų | 137.6 | 62% | 0.62 | 72% | 0.715 | S | S | * | * | trans | 56.7 | 108.7 | 159.5 | -59.6 | -53.4 | 0 | 0 | 0 | 119.9 | ||||
| 468 | Q | 27.6 | Very low | 30.2 | Very low | 180 Ų | 180 | 138.2 Ų | 138.2 | 84% | 0.841 | 72% | 0.719 | S | S | * | * | trans | -65.3 | 133.7 | 148.1 | -71.5 | -178.1 | 0.8 | 0 | 0 | 110 | ||||
| 469 | F | 28.8 | Very low | 30.1 | Very low | 133 Ų | 133 | 133.9 Ų | 133.9 | 58% | 0.583 | 72% | 0.717 | S | S | * | * | trans | -150.1 | 75.6 | 159.4 | -116.4 | -70.4 | 0 | 0 | 0 | 113.7 | F4 H471 | F4-F469 HydrophobicContact CB-CZ 4.26Å; F4-F469 HydrophobicContact CD1-CZ 4.06Å; F4-F469 AromaticContact CD2-CE1 3.78Å; F4-F469 HydrophobicContact CD2-CE1 3.78Å; F4-F469 AromaticContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CD2-CZ 3.41Å; F4-F469 VanDerWaalsContact CD2-CZ 3.41Å; F4-F469 HydrophobicContact CE1-CZ 4.24Å; F4-F469 HydrophobicContact CE2-CE1 4.02Å; F4-F469 AromaticContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CE2-CZ 3.63Å; F4-F469 HydrophobicContact CG-CE1 4.39Å; F4-F469 HydrophobicContact CG-CE2 4.4Å; F4-F469 AromaticContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CG-CZ 3.65Å; F4-F469 HydrophobicContact CZ-CZ 4.04Å; F469-H471 PolarHBondContact O-N 3.03Å; F469-H471 VanDerWaalsContact O-N 3.12Å | ||
| 470 | T | 32.3 | Very low | 30.2 | Very low | 142 Ų | 142 | 135.4 Ų | 135.4 | 87% | 0.871 | 72% | 0.721 | S | S | * | * | trans | -79.6 | 88 | 173.6 | 32.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 471 | H | 32.1 | Very low | 30.4 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 53% | 0.532 | 73% | 0.726 | S | S | . | * | trans | -92.2 | 135.7 | 169.4 | -172.2 | -57.5 | 0 | 0 | 0 | 111.6 | M1 F469 Q473 | M1-H471 WeakPolarHBondContact CA-NE2 3.32Å; M1-H471 PolarHBondContact N-CE1 3.4Å; M1-H471 VanDerWaalsContact N-CE1 3.34Å; M1-H471 PolarHBondContact N-NE2 3.41Å; F469-H471 PolarHBondContact O-N 3.03Å; F469-H471 VanDerWaalsContact O-N 3.12Å; H471-Q473 PolarHBondContact O-N 2.97Å | ||
| 472 | K | 33.4 | Very low | 30.4 | Very low | 189 Ų | 189 | 136.2 Ų | 136.2 | 82% | 0.822 | 73% | 0.726 | S | S | * | * | trans | -69.3 | 120.1 | -178.8 | -60.5 | 179.4 | 179.8 | -179.7 | 0 | 113.3 | ||||
| 473 | Q | 33.6 | Very low | 30.6 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 78% | 0.78 | 73% | 0.734 | S | S | * | * | trans | -166.3 | 109.6 | 137.4 | -103.2 | 152.2 | -7.4 | 0 | 0 | 106.9 | H471 | H471-Q473 PolarHBondContact O-N 2.97Š| ||
| 474 | N | 28.4 | Very low | 31 | Very low | 142 Ų | 142 | 143.3 Ų | 143.3 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | 62.9 | 89.6 | 75.2 | -172.8 | 28.4 | 0 | 0 | 0 | 112.8 | |||||
| 475 | L | 34 | Very low | 31.2 | Very low | 146 Ų | 146 | 143.6 Ų | 143.6 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -179.9 | 118.5 | 137.3 | -97.2 | 162.4 | 0 | 0 | 0 | 112.1 | ||||
| 476 | N | 32.5 | Very low | 31.2 | Very low | 120 Ų | 120 | 145.4 Ų | 145.4 | 64% | 0.642 | 75% | 0.746 | S | S | * | * | trans | 36.4 | 116.7 | 139.8 | -59.9 | -4.2 | 0 | 0 | 0 | 122.7 | ||||
| 477 | N | 29.6 | Very low | 31.3 | Very low | 143 Ų | 143 | 144 Ų | 144 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | 79.4 | 156.9 | 125.3 | -59.6 | -12.5 | 0 | 0 | 0 | 122.8 | |||||
| 478 | L | 30.8 | Very low | 31.1 | Very low | 153 Ų | 153 | 144.4 Ų | 144.4 | 80% | 0.801 | 76% | 0.756 | S | S | * | * | trans | 75.9 | 79.8 | 153.6 | -105.7 | 64.5 | 0 | 0 | 0 | 120.5 | ||||
| 479 | S | 27.7 | Very low | 31.2 | Very low | 97 Ų | 97 | 141 Ų | 141 | 68% | 0.678 | 75% | 0.753 | S | S | * | * | 38.3 | 149.7 | 115.5 | 72.2 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 480 | K | 32.5 | Very low | 31.3 | Very low | 187 Ų | 187 | 139.5 Ų | 139.5 | 81% | 0.813 | 76% | 0.758 | S | S | * | * | trans | 100.2 | 101.7 | 155.3 | -70.3 | -171.6 | 171.3 | -175.4 | 0 | 118.5 | ||||
| 481 | T | 28.8 | Very low | 31 | Very low | 133 Ų | 133 | 137.9 Ų | 137.9 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | 29.1 | 122.4 | 119.9 | 56.7 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 482 | G | 33.1 | Very low | 31 | Very low | 75 Ų | 75 | 137.7 Ų | 137.7 | 77% | 0.773 | 77% | 0.765 | S | S | * | * | trans | -151.8 | 130.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 483 | D | 30.4 | Very low | 30.7 | Very low | 154 Ų | 154 | 134.4 Ų | 134.4 | 82% | 0.824 | 76% | 0.76 | S | S | * | * | trans | -100.1 | 125.6 | -176.7 | -58.3 | -74.2 | 0 | 0 | 0 | 111.6 | ||||
| 484 | E | 35.6 | Very low | 30.6 | Very low | 184 Ų | 184 | 136.2 Ų | 136.2 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | -152.3 | 146.8 | 167.4 | -62.5 | -156.8 | 141.2 | 0 | 0 | 109.4 | ||||
| 485 | Y | 31.9 | Very low | 30.6 | Very low | 178 Ų | 178 | 136.2 Ų | 136.2 | 70% | 0.698 | 76% | 0.761 | S | S | * | * | cis | -169.7 | 156.4 | -26.4 | -124.8 | -74.4 | 0 | 0 | 0 | 107.7 | ||||
| 486 | F | 31.6 | Very low | 30.4 | Very low | 188 Ų | 188 | 137.1 Ų | 137.1 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | 65.2 | 154 | 168.3 | -58 | -64.7 | 0 | 0 | 0 | 118.4 | ||||
| 487 | A | 31 | Very low | 30.2 | Very low | 81 Ų | 81 | 137.2 Ų | 137.2 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | cis | -160.8 | 158 | -21.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 488 | T | 26.4 | Very low | 30.4 | Very low | 125 Ų | 125 | 138.1 Ų | 138.1 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | -14 | 132.4 | 161.4 | 54.8 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 489 | S | 30.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 135.9 Ų | 135.9 | 76% | 0.762 | 77% | 0.767 | S | S | * | * | 172.6 | 171.4 | 80.2 | -63.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 490 | S | 30.5 | Very low | 30.5 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | cis | -170.1 | 139.5 | -34 | -82.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 491 | S | 26.5 | Very low | 30.6 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 76% | 0.762 | 78% | 0.78 | S | S | * | * | trans | 25.9 | 116.2 | 156.6 | 62.7 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 492 | S | 31.6 | Very low | 30.5 | Very low | 111 Ų | 111 | 139.2 Ų | 139.2 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | -178.3 | 121.6 | 123.6 | 42.7 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 493 | V | 27.6 | Very low | 30.5 | Very low | 119 Ų | 119 | 143 Ų | 143 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | cis | 69.2 | 88.9 | 43.1 | -170.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 494 | F | 32.1 | Very low | 30.7 | Very low | 206 Ų | 206 | 144.7 Ų | 144.7 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -138.7 | 131.9 | 142.2 | -89.8 | -77.9 | 0 | 0 | 0 | 108.7 | ||||
| 495 | H | 27 | Very low | 30.2 | Very low | 141 Ų | 141 | 143.8 Ų | 143.8 | 65% | 0.653 | 78% | 0.78 | S | S | * | * | trans | -82.7 | 154.8 | 168.8 | -100.7 | -103.8 | 0 | 0 | 0 | 109.3 | D497 | H495-D497 IonicContact CE1-OD2 3.14Å; H495-D497 IonicContact ND1-OD2 2.86Å; H495-D497 PolarHBondContact ND1-OD2 3.32Å; H495-D497 VanDerWaalsContact ND1-OD2 3.14Å | ||
| 496 | D | 31.4 | Very low | 30.2 | Very low | 166 Ų | 166 | 140.5 Ų | 140.5 | 89% | 0.888 | 78% | 0.783 | S | S | * | * | -162.3 | 142.7 | 104.3 | -95.9 | -23.3 | 0 | 0 | 0 | 111.6 | |||||
| 497 | D | 28.8 | Very low | 29.9 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 65% | 0.652 | 78% | 0.778 | S | S | * | * | trans | -86.7 | 165.8 | -178.5 | -75 | -94.1 | 0 | 0 | 0 | 112 | H495 | H495-D497 IonicContact CE1-OD2 3.14Å; H495-D497 IonicContact ND1-OD2 2.86Å; H495-D497 PolarHBondContact ND1-OD2 3.32Å; H495-D497 VanDerWaalsContact ND1-OD2 3.14Å | ||
| 498 | I | 33.7 | Very low | 30 | Very low | 161 Ų | 161 | 142.6 Ų | 142.6 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | -178.2 | 134.5 | 126.6 | -94.7 | 154.5 | 0 | 0 | 0 | 111.6 | |||||
| 499 | S | 31.4 | Very low | 30 | Very low | 106 Ų | 106 | 144.1 Ų | 144.1 | 74% | 0.741 | 78% | 0.784 | S | S | * | * | trans | 47.6 | 98.9 | 162.9 | -63 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 500 | S | 29.3 | Very low | 30.1 | Very low | 124 Ų | 124 | 146.3 Ų | 146.3 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | 59.7 | 96.1 | 57.6 | -61.5 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 501 | S | 33.1 | Very low | 29.9 | Very low | 126 Ų | 126 | 148 Ų | 148 | 88% | 0.881 | 79% | 0.788 | S | S | * | * | trans | -152.8 | 68.7 | 149.2 | 64.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 502 | R | 27.5 | Very low | 30.2 | Very low | 238 Ų | 238 | 148.5 Ų | 148.5 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 125.1 | 170.9 | 173.5 | -160.4 | -64.3 | -151 | 0 | 110.3 | ||||
| 503 | I | 33.3 | Very low | 30 | Very low | 154 Ų | 154 | 152.1 Ų | 152.1 | 79% | 0.79 | 80% | 0.797 | S | S | * | * | trans | -158.8 | 124.9 | 155.8 | -108.9 | 147.7 | 0 | 0 | 0 | 114.8 | ||||
| 504 | K | 33.2 | Very low | 30 | Very low | 189 Ų | 189 | 150.8 Ų | 150.8 | 82% | 0.822 | 80% | 0.798 | S | S | * | * | trans | 53.2 | 111.3 | 149.6 | -59.1 | -176.4 | -179.7 | -178.7 | 0 | 122.8 | ||||
| 505 | Q | 26.3 | Very low | 29.7 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -57.9 | 136.1 | 151.1 | 167.5 | -170.9 | -2.6 | 0 | 0 | 114.8 | ||||
| 506 | S | 30.9 | Very low | 29.9 | Very low | 109 Ų | 109 | 143.9 Ų | 143.9 | 76% | 0.762 | 79% | 0.792 | S | S | * | * | trans | -167.8 | 119.8 | 153.8 | 53.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 507 | Q | 26.8 | Very low | 29.6 | Very low | 154 Ų | 154 | 145 Ų | 145 | 72% | 0.72 | 79% | 0.788 | S | S | * | * | cis | 76.4 | 53.7 | 33.5 | -153.4 | 170 | 1 | 0 | 0 | 115.6 | ||||
| 508 | L | 32.1 | Very low | 29.6 | Very low | 158 Ų | 158 | 146.8 Ų | 146.8 | 83% | 0.827 | 80% | 0.797 | S | S | * | * | trans | -141.4 | 115.6 | 147.8 | -75.2 | 167.5 | 0 | 0 | 0 | 102.9 | ||||
| 509 | Q | 26.8 | Very low | 29.5 | Very low | 157 Ų | 157 | 144.6 Ų | 144.6 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | cis | 54.4 | 90 | 43 | -163.4 | 162.9 | 8.9 | 0 | 0 | 113.2 | ||||
| 510 | N | 31.4 | Very low | 29.2 | Very low | 155 Ų | 155 | 146 Ų | 146 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -155 | 134 | 151.7 | -99.1 | -32.4 | 0 | 0 | 0 | 107.7 | ||||
| 511 | D | 28.3 | Very low | 29.3 | Very low | 136 Ų | 136 | 147.9 Ų | 147.9 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | -85.4 | 150.1 | -172.8 | -49.6 | -77.3 | 0 | 0 | 0 | 112.2 | ||||
| 512 | S | 31 | Very low | 29.1 | Very low | 121 Ų | 121 | 148 Ų | 148 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | trans | -160.2 | 61.6 | 163.7 | -79.9 | 0 | 0 | 0 | 0 | 110.9 | A514 | S512-A514 PolarHBondContact O-N 3.46Š| ||
| 513 | E | 27.2 | Very low | 29.3 | Very low | 186 Ų | 186 | 143.5 Ų | 143.5 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | trans | -69.4 | 92.7 | 168.7 | -175.9 | 176.4 | -150.7 | 0 | 0 | 109.9 | V515 | E513-V515 HydrophobicContact CG-CG2 4.32Š| ||
| 514 | A | 29.6 | Very low | 29.1 | Very low | 91 Ų | 91 | 142.2 Ų | 142.2 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -106.2 | 75.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | S512 A516 | S512-A514 PolarHBondContact O-N 3.46Å; A514-A516 VanDerWaalsContact C-N 3.32Å; A514-A516 PolarHBondContact O-N 3.34Å | ||
| 515 | V | 25.5 | Very low | 29.1 | Very low | 119 Ų | 119 | 139.2 Ų | 139.2 | 72% | 0.721 | 78% | 0.777 | S | S | * | * | trans | -71.3 | 84.2 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | E513 K517 | E513-V515 HydrophobicContact CG-CG2 4.32Å; V515-K517 PolarHBondContact O-N 2.95Å | ||
| 516 | A | 29.7 | Very low | 29.2 | Very low | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 77% | 0.768 | S | S | * | * | trans | -77.2 | 63.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | A514 L518 | A514-A516 VanDerWaalsContact C-N 3.32Å; A514-A516 PolarHBondContact O-N 3.34Å; A516-L518 VanDerWaalsContact C-N 3.3Å; A516-L518 PolarHBondContact O-N 2.91Å | ||
| 517 | K | 26.3 | Very low | 29.1 | Very low | 188 Ų | 188 | 133.8 Ų | 133.8 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | -71.9 | 81.5 | 170.3 | -178.2 | -167 | 173.3 | -174.9 | 0 | 109.9 | V515 | V515-K517 PolarHBondContact O-N 2.95Š| ||
| 518 | L | 29.2 | Very low | 29.2 | Very low | 161 Ų | 161 | 134.3 Ų | 134.3 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -101.7 | 129.6 | 179.3 | -84.5 | 170.1 | 0 | 0 | 0 | 112.8 | A516 | A516-L518 VanDerWaalsContact C-N 3.3Å; A516-L518 PolarHBondContact O-N 2.91Å |
| 519 | T | 30.4 | Very low | 29 | Very low | 115 Ų | 115 | 138.4 Ų | 138.4 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -84.1 | 162.8 | -176.1 | 32.4 | 0 | 0 | 0 | 0 | 113.4 | E521 | T519-E521 PolarHBondContact O-N 3.31Š|
| 520 | T | 25.9 | Very low | 29.2 | Very low | 136 Ų | 136 | 137.2 Ų | 137.2 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -66.9 | 120.9 | 176.5 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | ||
| 521 | E | 31.6 | Very low | 29 | Very low | 163 Ų | 163 | 134.9 Ų | 134.9 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | trans | -133.4 | 107.9 | 160.7 | -71.3 | -168.1 | -163.8 | 0 | 0 | 110.8 | T519 L523 | T519-E521 PolarHBondContact O-N 3.31Å; E521-L523 PolarHBondContact O-N 3.34Å | ||
| 522 | T | 28.5 | Very low | 29 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 78% | 0.779 | 79% | 0.79 | S | S | * | * | trans | -87.2 | 89.2 | 178.7 | -52.3 | 0 | 0 | 0 | 0 | 110.1 | T524 | T522-T524 PolarHBondContact O-N 2.76Š| ||
| 523 | L | 31.7 | Very low | 28.9 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -76 | 89 | 176 | -77.3 | 168.8 | 0 | 0 | 0 | 111.8 | E521 T525 | E521-L523 PolarHBondContact O-N 3.34Å; L523-T525 PolarHBondContact O-N 2.93Å | ||
| 524 | T | 29.8 | Very low | 28.8 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -72.1 | 86 | 170.9 | -54.9 | 0 | 0 | 0 | 0 | 110.4 | T522 G526 | T522-T524 PolarHBondContact O-N 2.76Å; T524-G526 PolarHBondContact O-N 2.82Å | ||
| 525 | T | 32.3 | Very low | 28.7 | Very low | 126 Ų | 126 | 133.2 Ų | 133.2 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -72 | 92.4 | 177.3 | 54.3 | 0 | 0 | 0 | 0 | 111.5 | L523 | L523-T525 PolarHBondContact O-N 2.93Š| ||
| 526 | G | 28.2 | Very low | 28.8 | Very low | 57 Ų | 57 | 132.8 Ų | 132.8 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | trans | -59.7 | 164.5 | 158.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | T524 L528 | T524-G526 PolarHBondContact O-N 2.82Å; G526-L528 PolarHBondContact O-N 2.89Å | ||
| 527 | A | 28.4 | Very low | 28.9 | Very low | 104 Ų | 104 | 135.1 Ų | 135.1 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -62.3 | 106.8 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 528 | L | 30.3 | Very low | 29 | Very low | 165 Ų | 165 | 134.2 Ų | 134.2 | 86% | 0.864 | 78% | 0.778 | S | S | * | * | trans | -90.7 | 100.9 | 160.9 | -71.3 | 176.1 | 0 | 0 | 0 | 109.4 | G526 | G526-L528 PolarHBondContact O-N 2.89Š| ||
| 529 | R | 26.2 | Very low | 29 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 92% | 0.921 | 78% | 0.776 | S | S | * | * | trans | -80.8 | 118 | 166 | -80.1 | -176.5 | 168.4 | -167.6 | -3 | 109.5 | ||||
| 530 | T | 32.3 | Very low | 29 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -128.4 | 142.6 | 161 | 44.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 531 | S | 25.8 | Very low | 29.1 | Very low | 107 Ų | 107 | 132 Ų | 132 | 75% | 0.748 | 77% | 0.773 | S | S | * | * | trans | -60 | 158.7 | 172.9 | 36.6 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 532 | L | 28.8 | Very low | 28.9 | Very low | 165 Ų | 165 | 129.5 Ų | 129.5 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | cis | -138.6 | 179.6 | 18.2 | -146.6 | 58.3 | 0 | 0 | 0 | 107.3 | ||||
| 533 | A | 29.6 | Very low | 29.2 | Very low | 84 Ų | 84 | 129.7 Ų | 129.7 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | cis | -159.6 | -168.5 | 18 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 534 | S | 25.4 | Very low | 29 | Very low | 101 Ų | 101 | 130.2 Ų | 130.2 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -48.8 | 155.6 | 167.4 | -142.4 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 535 | L | 27.5 | Very low | 28.9 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | cis | -135.3 | 150.7 | 32.2 | -95.5 | 90.6 | 0 | 0 | 0 | 116.1 | ||||
| 536 | T | 27.8 | Very low | 28.9 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 77% | 0.773 | S | S | * | * | trans | 7.2 | 142.8 | 146.5 | 59.5 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 537 | T | 31.9 | Very low | 28.9 | Very low | 133 Ų | 133 | 131.1 Ų | 131.1 | 82% | 0.816 | 78% | 0.781 | S | S | * | * | cis | -151.2 | 156.8 | 46.5 | -49.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 538 | E | 27.4 | Very low | 29.1 | Very low | 168 Ų | 168 | 135.9 Ų | 135.9 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -77 | 177.8 | 179.9 | -46.6 | -179.1 | 114.3 | 0 | 0 | 112.5 | ||||
| 539 | V | 30.3 | Very low | 28.8 | Very low | 131 Ų | 131 | 137.2 Ų | 137.2 | 79% | 0.794 | 79% | 0.785 | S | S | * | * | -151.2 | 120.4 | 67.5 | 169 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 540 | V | 29 | Very low | 29.1 | Very low | 110 Ų | 110 | 133.4 Ų | 133.4 | 67% | 0.667 | 78% | 0.781 | S | S | * | * | trans | 39.1 | 125 | 140.5 | -172.2 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 541 | P | 28.8 | Very low | 28.9 | Very low | 125 Ų | 125 | 130 Ų | 130 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | trans | -114.4 | 157.4 | 152.5 | 38.9 | -29.5 | 0 | 0 | 0 | 114.3 | ||||
| 542 | S | 28.1 | Very low | 29.1 | Very low | 111 Ų | 111 | 132.4 Ų | 132.4 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | trans | -165.4 | 161.4 | 166.8 | -145.9 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 543 | V | 32.8 | Very low | 28.9 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | cis | -143 | 154.9 | 23.8 | -175.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 544 | I | 29.5 | Very low | 28.7 | Very low | 155 Ų | 155 | 131.8 Ų | 131.8 | 80% | 0.795 | 77% | 0.773 | S | S | * | * | trans | -118.5 | 146.4 | 174.2 | -63.1 | 165.6 | 0 | 0 | 0 | 109.8 | ||||
| 545 | S | 27.4 | Very low | 28.7 | Very low | 116 Ų | 116 | 132.7 Ų | 132.7 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -167.6 | 159.1 | 154.6 | -92.1 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 546 | P | 31.5 | Very low | 28.5 | Very low | 106 Ų | 106 | 132.6 Ų | 132.6 | 69% | 0.688 | 78% | 0.775 | S | S | * | * | -140.7 | 178.1 | -129.9 | 43.3 | -26.2 | 0 | 0 | 0 | 118.6 | |||||
| 547 | S | 27.3 | Very low | 28.4 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | 71 | 133 | 143.3 | 71.6 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 548 | K | 33.5 | Very low | 28.2 | Very low | 204 Ų | 204 | 136.4 Ų | 136.4 | 89% | 0.887 | 79% | 0.786 | S | S | * | * | trans | -156.6 | 126.4 | 132.1 | -114.8 | 173.8 | -175.8 | 177.4 | 0 | 110.7 | ||||
| 549 | Q | 24.9 | Very low | 28 | Very low | 193 Ų | 193 | 136.2 Ų | 136.2 | 90% | 0.902 | 79% | 0.789 | S | S | * | * | trans | -111.3 | 136.5 | 175.6 | -90.2 | -176.7 | -35.6 | 0 | 0 | 111 | ||||
| 550 | I | 32.3 | Very low | 27.7 | Very low | 163 Ų | 163 | 135.5 Ų | 135.5 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | -148.3 | 134.8 | 154.1 | -70 | 101.9 | 0 | 0 | 0 | 102.9 | ||||
| 551 | G | 27.3 | Very low | 27.4 | Very low | 61 Ų | 61 | 133.7 Ų | 133.7 | 63% | 0.629 | 79% | 0.794 | S | S | * | * | cis | 109.8 | 133.5 | 23 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 552 | L | 30.5 | Very low | 27.3 | Very low | 156 Ų | 156 | 132 Ų | 132 | 82% | 0.817 | 79% | 0.791 | S | S | * | * | cis | -156.7 | 148.1 | 5.1 | -88.4 | 160.1 | 0 | 0 | 0 | 110.2 | ||||
| 553 | N | 23.9 | Very low | 27 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 79% | 0.791 | S | S | * | * | trans | 39.5 | 165.8 | 140.3 | -63.6 | -2.6 | 0 | 0 | 0 | 125 | ||||
| 554 | A | 26.1 | Very low | 26.6 | Very low | 85 Ų | 85 | 132.6 Ų | 132.6 | 70% | 0.702 | 80% | 0.795 | S | S | * | * | trans | 94.8 | 90.2 | 164.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 555 | T | 25.6 | Very low | 26.3 | Very low | 121 Ų | 121 | 130.2 Ų | 130.2 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | 71.1 | 129.3 | 70.6 | 66.8 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 556 | N | 23.5 | Very low | 26.1 | Very low | 145 Ų | 145 | 130.2 Ų | 130.2 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | 67.2 | 93.7 | 161.6 | -57.6 | -14.5 | 0 | 0 | 0 | 118.3 | ||||
| 557 | F | 26 | Very low | 25.8 | Very low | 211 Ų | 211 | 135.6 Ų | 135.6 | 93% | 0.925 | 80% | 0.804 | S | S | * | * | trans | -143.7 | 93.6 | 142.8 | -95 | -72.2 | 0 | 0 | 0 | 111.1 | ||||
| 558 | S | 25.7 | Very low | 25.7 | Very low | 114 Ų | 114 | 136.5 Ų | 136.5 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -89.2 | 128.7 | 147.7 | -66.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 559 | L | 24 | Very low | 25.3 | Very low | 163 Ų | 163 | 133 Ų | 133 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -169.8 | 139 | 144.2 | -108.4 | 163.5 | 0 | 0 | 0 | 112.9 | ||||
| 560 | S | 23.6 | Very low | 25.3 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 147.6 | 173.4 | -39.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 561 | G | 22.9 | Very low | 25 | Very low | 73 Ų | 73 | 128.4 Ų | 128.4 | 75% | 0.753 | 78% | 0.782 | S | S | * | * | trans | 118.3 | 110.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 562 | A | 26.3 | Very low | 24.9 | Very low | 90 Ų | 90 | 131.8 Ų | 131.8 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | trans | 177.6 | 59.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 563 | T | 23.6 | Very low | 24.8 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | 41.9 | 116.6 | 95.4 | 62.8 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 564 | S | 23.5 | Very low | 24.9 | Very low | 124 Ų | 124 | 130.8 Ų | 130.8 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 69.8 | 146.9 | 172 | 79.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 565 | S | 24.1 | Very low | 24.9 | Very low | 105 Ų | 105 | 130.9 Ų | 130.9 | 73% | 0.734 | 79% | 0.786 | S | S | * | * | cis | -136.8 | 150 | 15.4 | 57.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 566 | C | 22.7 | Very low | 25.1 | Very low | 116 Ų | 116 | 128.7 Ų | 128.7 | 78% | 0.784 | 78% | 0.78 | S | S | * | * | trans | 23.4 | 105.6 | 153.8 | -55.6 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 567 | F | 25 | Very low | 25.2 | Very low | 219 Ų | 219 | 128 Ų | 128 | 96% | 0.961 | 78% | 0.776 | S | S | * | * | -143.4 | 145.6 | 123.6 | -99.4 | -74.8 | 0 | 0 | 0 | 109.6 | |||||
| 568 | N | 25.4 | Very low | 25.3 | Very low | 129 Ų | 129 | 124.8 Ų | 124.8 | 69% | 0.69 | 77% | 0.768 | S | S | * | * | trans | -111.1 | 112 | -160.1 | -178 | 10.9 | 0 | 0 | 0 | 112.9 | S570 | N568-S570 PolarHBondContact O-N 3.35Š| ||
| 569 | P | 25.2 | Very low | 25.4 | Very low | 129 Ų | 129 | 125.2 Ų | 125.2 | 84% | 0.838 | 77% | 0.766 | S | S | * | * | trans | -90.2 | 68.2 | 177.8 | 36.7 | -34.3 | 0 | 0 | 0 | 111.9 | ||||
| 570 | S | 24.3 | Very low | 25.7 | Very low | 79 Ų | 79 | 122 Ų | 122 | 55% | 0.552 | 75% | 0.752 | S | S | * | * | trans | -95.4 | 135.8 | 174.1 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | N568 | N568-S570 PolarHBondContact O-N 3.35Š| ||
| 571 | Q | 26.6 | Very low | 26 | Very low | 182 Ų | 182 | 125 Ų | 125 | 85% | 0.85 | 75% | 0.754 | S | S | * | * | S | Bend | trans | 67.5 | 70 | 168.2 | -53.8 | -177 | 6.6 | 0 | 0 | 117.9 | ||
| 572 | T | 25.4 | Very low | 26.3 | Very low | 131 Ų | 131 | 129.7 Ų | 129.7 | 80% | 0.804 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -164.9 | 139.8 | 131.2 | 7.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 573 | N | 27.6 | Very low | 26.3 | Very low | 135 Ų | 135 | 132.6 Ų | 132.6 | 72% | 0.722 | 76% | 0.759 | S | S | * | * | trans | 56.9 | 51.1 | 154.9 | -58.7 | -22.2 | 0 | 0 | 0 | 119.6 | A575 A576 | N573-A575 PolarHBondContact O-N 2.8Å; N573-A576 PolarHBondContact O-N 2.92Å | ||
| 574 | L | 25.4 | Very low | 26.5 | Very low | 151 Ų | 151 | 132.3 Ų | 132.3 | 79% | 0.791 | 76% | 0.762 | S | S | * | * | G | 310 helix | trans | -60.2 | -10.1 | 165.5 | -120.3 | 163.4 | 0 | 0 | 0 | 114.4 | A576 | L574-A576 VanDerWaalsContact C-N 3.34Å; L574-A576 PolarHBondContact O-N 2.91Å |
| 575 | A | 27.1 | Very low | 27 | Very low | 87 Ų | 87 | 130.5 Ų | 130.5 | 72% | 0.719 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -72.4 | -17.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | N573 L577 | N573-A575 PolarHBondContact O-N 2.8Å; A575-L577 PolarHBondContact O-N 3.09Å |
| 576 | A | 28.6 | Very low | 27.3 | Very low | 76 Ų | 76 | 130.7 Ų | 130.7 | 63% | 0.628 | 74% | 0.738 | S | S | * | * | G | 310 helix | trans | -78.3 | -14.8 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | N573 L574 | N573-A576 PolarHBondContact O-N 2.92Å; L574-A576 VanDerWaalsContact C-N 3.34Å; L574-A576 PolarHBondContact O-N 2.91Å |
| 577 | L | 26.9 | Very low | 27.9 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 68% | 0.681 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -91.7 | -21 | -170.2 | -89.8 | 157.3 | 0 | 0 | 0 | 115 | A575 V579 | A575-L577 PolarHBondContact O-N 3.09Å; L577-V579 VanDerWaalsContact C-N 3.3Å; L577-V579 PolarHBondContact O-N 3.16Å |
| 578 | N | 27 | Very low | 28.4 | Very low | 144 Ų | 144 | 124.9 Ų | 124.9 | 77% | 0.77 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 3.5 | -174.3 | -80 | 0.9 | 0 | 0 | 0 | 115.3 | ||
| 579 | V | 28.4 | Very low | 28.9 | Very low | 123 Ų | 123 | 124.7 Ų | 124.7 | 75% | 0.745 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -12.3 | 179.6 | -175.1 | 0 | 0 | 0 | 0 | 112.3 | L577 Q581 | L577-V579 VanDerWaalsContact C-N 3.3Å; L577-V579 PolarHBondContact O-N 3.16Å; V579-Q581 PolarHBondContact O-N 3.06Å |
| 580 | V | 30.2 | Very low | 29.4 | Very low | 94 Ų | 94 | 124 Ų | 124 | 57% | 0.57 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 3.1 | -168.7 | -165.7 | 0 | 0 | 0 | 0 | 113.4 | Q582 | V580-Q582 PolarHBondContact O-N 3.14Š|
| 581 | Q | 29.3 | Very low | 30.1 | Very low | 180 Ų | 180 | 126.9 Ų | 126.9 | 84% | 0.841 | 70% | 0.699 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | -3.3 | -175.4 | -156.2 | 170.3 | 3.7 | 0 | 0 | 114.7 | V579 | V579-Q581 PolarHBondContact O-N 3.06Š|
| 582 | Q | 29.1 | Very low | 30.6 | Very low | 171 Ų | 171 | 122.3 Ų | 122.3 | 80% | 0.799 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -136.3 | 78.3 | 177 | -69.7 | -171.4 | -4.6 | 0 | 0 | 112.4 | V580 | V580-Q582 PolarHBondContact O-N 3.14Š|
| 583 | N | 27 | Very low | 31.3 | Very low | 152 Ų | 152 | 120.4 Ų | 120.4 | 81% | 0.813 | 66% | 0.662 | S | S | * | * | S | Bend | trans | 174.2 | 156.4 | 136.1 | -90 | -44.5 | 0 | 0 | 0 | 109.9 | V585 | N583-V585 PolarHBondContact O-N 2.88Å; N583-V585 VanDerWaalsContact O-N 3.09Å |
| 584 | S | 27.1 | Very low | 32.1 | Very low | 121 Ų | 121 | 118.8 Ų | 118.8 | 85% | 0.846 | 65% | 0.653 | S | S | * | * | trans | -63.8 | 107.5 | -174 | 37.1 | 0 | 0 | 0 | 0 | 112.8 | N586 | S584-N586 PolarHBondContact O-N 3.11Š| ||
| 585 | V | 34 | Very low | 32.7 | Very low | 87 Ų | 87 | 112.9 Ų | 112.9 | 53% | 0.527 | 63% | 0.629 | S | S | . | * | trans | -72.2 | 111.7 | -179.7 | -126.3 | 0 | 0 | 0 | 0 | 110.7 | N583 M590 | N583-V585 PolarHBondContact O-N 2.88Å; N583-V585 VanDerWaalsContact O-N 3.09Å; V585-M590 HydrophobicContact CG1-CG 4.34Å | ||
| 586 | N | 31.3 | Very low | 33.4 | Very low | 108 Ų | 108 | 112.5 Ų | 112.5 | 58% | 0.578 | 61% | 0.614 | S | S | * | * | trans | -71.5 | 121.2 | 172.5 | -165.5 | -12.4 | 0 | 0 | 0 | 108.6 | S584 L588 F589 | S584-N586 PolarHBondContact O-N 3.11Å; N586-L588 VanDerWaalsContact C-N 3.26Å; N586-L588 PolarHBondContact O-N 2.81Å; N586-L588 VanDerWaalsContact O-N 3.11Å; N586-F589 WeakPolarHBondContact O-CB 3.33Å; N586-F589 PolarHBondContact O-N 3.44Å | ||
| 587 | P | 34.1 | Very low | 33.7 | Very low | 94 Ų | 94 | 111.4 Ų | 111.4 | 61% | 0.61 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58 | -33.1 | -165 | 18 | -32.4 | 0 | 0 | 0 | 114.5 | F589 M590 E591 | P587-F589 PolarHBondContact O-N 3.41Å; P587-F589 VanDerWaalsContact O-N 3.15Å; P587-M590 PolarHBondContact O-N 3.29Å; P587-E591 PolarHBondContact O-N 2.99Å |
| 588 | L | 36.6 | Very low | 34.3 | Very low | 120 Ų | 120 | 110.6 Ų | 110.6 | 63% | 0.628 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -52.2 | -34 | 173.2 | -80.6 | 162.8 | 0 | 0 | 0 | 113.4 | N586 Q592 | N586-L588 VanDerWaalsContact C-N 3.26Å; N586-L588 PolarHBondContact O-N 2.81Å; N586-L588 VanDerWaalsContact O-N 3.11Å; L588-Q592 VanDerWaalsContact O-CB 3.26Å; L588-Q592 WeakPolarHBondContact O-CB 3.43Å; L588-Q592 PolarHBondContact O-N 2.86Å |
| 589 | F | 36.3 | Very low | 34.9 | Very low | 125 Ų | 125 | 108.4 Ų | 108.4 | 55% | 0.548 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.3 | -33.4 | -179.8 | -161.1 | -99.7 | 0 | 0 | 0 | 112 | N586 P587 L593 | N586-F589 WeakPolarHBondContact O-CB 3.33Å; N586-F589 PolarHBondContact O-N 3.44Å; P587-F589 PolarHBondContact O-N 3.41Å; P587-F589 VanDerWaalsContact O-N 3.15Å; F589-L593 HydrophobicContact CE1-CD1 4.47Å; F589-L593 WeakPolarHBondContact O-CB 3.42Å; F589-L593 PolarHBondContact O-N 2.9Å |
| 590 | M | 34.7 | Very low | 35.4 | Very low | 114 Ų | 114 | 110.4 Ų | 110.4 | 56% | 0.562 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -72.1 | -42 | 175.6 | -76.8 | -67.5 | -69.5 | 0 | 0 | 111.8 | V585 P587 Q592 L593 L594 | V585-M590 HydrophobicContact CG1-CG 4.34Å; P587-M590 PolarHBondContact O-N 3.29Å; M590-Q592 VanDerWaalsContact C-N 3.35Å; M590-L593 PolarHBondContact O-N 3.48Å; M590-L594 VanDerWaalsContact O-CB 3.24Å; M590-L594 WeakPolarHBondContact O-CB 3.42Å; M590-L594 PolarHBondContact O-N 3.02Å |
| 591 | E | 39.9 | Very low | 36 | Very low | 139 Ų | 139 | 113.2 Ų | 113.2 | 65% | 0.65 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.4 | -42.2 | 172.9 | -70.5 | -168.7 | 125.3 | 0 | 0 | 111.7 | P587 L594 G595 | P587-E591 PolarHBondContact O-N 2.99Å; E591-L594 PolarHBondContact O-N 3.31Å; E591-G595 PolarHBondContact O-N 3.38Å |
| 592 | Q | 37.4 | Very low | 36.7 | Very low | 87 Ų | 87 | 110.8 Ų | 110.8 | 41% | 0.407 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -66.6 | -40.8 | 178.9 | -161.8 | 170.9 | 44.4 | 0 | 0 | 111.8 | L588 M590 G595 I596 | L588-Q592 VanDerWaalsContact O-CB 3.26Å; L588-Q592 WeakPolarHBondContact O-CB 3.43Å; L588-Q592 PolarHBondContact O-N 2.86Å; M590-Q592 VanDerWaalsContact C-N 3.35Å; Q592-G595 PolarHBondContact O-N 2.88Å; Q592-I596 HydrophobicContact CG-CD1 4.18Å; Q592-I596 WeakPolarHBondContact O-CB 3.46Å; Q592-I596 WeakPolarHBondContact O-CD1 3.4Å; Q592-I596 WeakPolarHBondContact O-CG1 3.45Å; Q592-I596 PolarHBondContact O-N 3.32Å |
| 593 | L | 39.2 | Very low | 37.2 | Very low | 90 Ų | 90 | 109.8 Ų | 109.8 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.2 | -38 | 174.6 | -149.9 | 78.6 | 0 | 0 | 0 | 112 | F589 M590 S597 | F589-L593 HydrophobicContact CE1-CD1 4.47Å; F589-L593 WeakPolarHBondContact O-CB 3.42Å; F589-L593 PolarHBondContact O-N 2.9Å; M590-L593 PolarHBondContact O-N 3.48Å; L593-S597 WeakPolarHBondContact O-CB 3.2Å; L593-S597 PolarHBondContact O-N 3.5Å; L593-S597 PolarHBondContact O-OG 3.45Å |
| 594 | L | 44.3 | Very low | 37.7 | Very low | 102 Ų | 102 | 109.8 Ų | 109.8 | 53% | 0.534 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.7 | -44.9 | 176.3 | -176 | 61.2 | 0 | 0 | 0 | 111.4 | M590 E591 S597 Q598 | M590-L594 VanDerWaalsContact O-CB 3.24Å; M590-L594 WeakPolarHBondContact O-CB 3.42Å; M590-L594 PolarHBondContact O-N 3.02Å; E591-L594 PolarHBondContact O-N 3.31Å; L594-S597 WeakPolarHBondContact O-CB 3.37Å; L594-S597 PolarHBondContact O-N 3.37Å; L594-S597 VanDerWaalsContact O-N 3.16Å; L594-Q598 WeakPolarHBondContact O-CG 3.24Å; L594-Q598 PolarHBondContact O-N 2.85Å |
| 595 | G | 38.9 | Very low | 38.1 | Very low | 27 Ų | 27 | 109 Ų | 109 | 28% | 0.278 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.3 | -42 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | E591 Q592 S597 Q598 M599 | E591-G595 PolarHBondContact O-N 3.38Å; Q592-G595 PolarHBondContact O-N 2.88Å; G595-S597 VanDerWaalsContact C-N 3.29Å; G595-S597 PolarHBondContact O-N 3.07Å; G595-Q598 PolarHBondContact O-N 3.02Å; G595-M599 WeakPolarHBondContact O-CG 3.43Å; G595-M599 PolarHBondContact O-N 3.36Å |
| 596 | I | 41.4 | Very low | 38.2 | Very low | 78 Ų | 78 | 113.2 Ų | 113.2 | 40% | 0.4 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -62.5 | -37.7 | 172.4 | -70.6 | 165.7 | 0 | 0 | 0 | 111 | Q592 M599 R600 | Q592-I596 HydrophobicContact CG-CD1 4.18Å; Q592-I596 WeakPolarHBondContact O-CB 3.46Å; Q592-I596 WeakPolarHBondContact O-CD1 3.4Å; Q592-I596 WeakPolarHBondContact O-CG1 3.45Å; Q592-I596 PolarHBondContact O-N 3.32Å; I596-M599 HydrophobicContact CG1-CE 4.39Å; I596-R600 WeakPolarHBondContact O-CB 3.41Å; I596-R600 PolarHBondContact O-N 3.28Å; I596-R600 VanDerWaalsContact O-N 3.07Å |
| 597 | S | 34.5 | Very low | 38.3 | Very low | 54 Ų | 54 | 117 Ų | 117 | 38% | 0.378 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -70.1 | -41.4 | 177.9 | -59.3 | 0 | 0 | 0 | 0 | 112.2 | L593 L594 G595 R600 H601 | L593-S597 WeakPolarHBondContact O-CB 3.2Å; L593-S597 PolarHBondContact O-N 3.5Å; L593-S597 PolarHBondContact O-OG 3.45Å; L594-S597 WeakPolarHBondContact O-CB 3.37Å; L594-S597 PolarHBondContact O-N 3.37Å; L594-S597 VanDerWaalsContact O-N 3.16Å; G595-S597 VanDerWaalsContact C-N 3.29Å; G595-S597 PolarHBondContact O-N 3.07Å; S597-R600 PolarHBondContact O-N 2.95Å; S597-H601 PolarHBondContact O-N 2.86Å |
| 598 | Q | 40.7 | Very low | 38.2 | Very low | 112 Ų | 112 | 120.7 Ų | 120.7 | 52% | 0.523 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.9 | -46.4 | 174.3 | -72.1 | 177.5 | 8.4 | 0 | 0 | 111.6 | L594 G595 R600 H601 I602 | L594-Q598 WeakPolarHBondContact O-CG 3.24Å; L594-Q598 PolarHBondContact O-N 2.85Å; G595-Q598 PolarHBondContact O-N 3.02Å; Q598-R600 VanDerWaalsContact C-N 3.31Å; Q598-R600 PolarHBondContact O-N 3.47Å; Q598-H601 PolarHBondContact O-N 2.89Å; Q598-H601 VanDerWaalsContact O-N 3.11Å; Q598-I602 VanDerWaalsContact O-CG1 3.3Å; Q598-I602 WeakPolarHBondContact O-CG1 3.35Å; Q598-I602 PolarHBondContact O-N 3.47Å |
| 599 | M | 38.1 | Very low | 37.9 | Very low | 99 Ų | 99 | 122 Ų | 122 | 49% | 0.488 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -58.3 | -41.5 | 174.8 | -75.9 | -168.4 | -69.5 | 0 | 0 | 112.3 | G595 I596 H601 I602 Q603 | G595-M599 WeakPolarHBondContact O-CG 3.43Å; G595-M599 PolarHBondContact O-N 3.36Å; I596-M599 HydrophobicContact CG1-CE 4.39Å; M599-H601 VanDerWaalsContact C-N 3.3Å; M599-H601 PolarHBondContact O-N 3.24Å; M599-I602 PolarHBondContact O-N 2.89Å; M599-Q603 PolarHBondContact O-N 3.37Å |
| 600 | R | 39.9 | Very low | 37.6 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66 | -33 | 177.2 | -149.6 | -166.5 | -48.4 | 169.8 | 7.5 | 112.5 | I596 S597 Q598 | I596-R600 WeakPolarHBondContact O-CB 3.41Å; I596-R600 PolarHBondContact O-N 3.28Å; I596-R600 VanDerWaalsContact O-N 3.07Å; S597-R600 PolarHBondContact O-N 2.95Å; Q598-R600 VanDerWaalsContact C-N 3.31Å; Q598-R600 PolarHBondContact O-N 3.47Å |
| 601 | H | 42.4 | Very low | 37.2 | Very low | 152 Ų | 152 | 127.1 Ų | 127.1 | 70% | 0.704 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -73.8 | -30.6 | 175.9 | -158.2 | -42.1 | 0 | 0 | 0 | 112.5 | S597 Q598 M599 | S597-H601 PolarHBondContact O-N 2.86Å; Q598-H601 PolarHBondContact O-N 2.89Å; Q598-H601 VanDerWaalsContact O-N 3.11Å; M599-H601 VanDerWaalsContact C-N 3.3Å; M599-H601 PolarHBondContact O-N 3.24Å |
| 602 | I | 44.9 | Very low | 36.4 | Very low | 129 Ų | 129 | 126.3 Ų | 126.3 | 66% | 0.662 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -72.6 | -31.5 | 177.4 | -69.3 | 162.5 | 0 | 0 | 0 | 111.9 | Q598 M599 H604 P605 | Q598-I602 VanDerWaalsContact O-CG1 3.3Å; Q598-I602 WeakPolarHBondContact O-CG1 3.35Å; Q598-I602 PolarHBondContact O-N 3.47Å; M599-I602 PolarHBondContact O-N 2.89Å; I602-H604 VanDerWaalsContact C-N 3.35Å; I602-H604 PolarHBondContact O-N 3.2Å; I602-P605 WeakPolarHBondContact O-CD 3.32Å |
| 603 | Q | 38.2 | Very low | 36 | Very low | 150 Ų | 150 | 127.2 Ų | 127.2 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -9.1 | 179.8 | -75.2 | -171.2 | -25.1 | 0 | 0 | 115.2 | M599 | M599-Q603 PolarHBondContact O-N 3.37Š|
| 604 | H | 37.4 | Very low | 35.2 | Very low | 152 Ų | 152 | 127 Ų | 127 | 70% | 0.704 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -93.9 | -9.9 | -168.6 | -119.9 | -68.8 | 0 | 0 | 0 | 120.1 | I602 | I602-H604 VanDerWaalsContact C-N 3.35Å; I602-H604 PolarHBondContact O-N 3.2Å |
| 605 | P | 35.3 | Very low | 34.3 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 68% | 0.682 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -101.2 | 50.2 | -178 | 39.8 | -35.1 | 0 | 0 | 0 | 114.7 | I602 | I602-P605 WeakPolarHBondContact O-CD 3.32Š|
| 606 | Q | 37.6 | Very low | 33.5 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | S | Bend | trans | -132 | 5.7 | 173.8 | -81 | -156.5 | -32.3 | 0 | 0 | 116.4 | ||
| 607 | Q | 33 | Very low | 32.8 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 87% | 0.874 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -99.4 | 9 | -177.5 | -82.1 | -83.3 | -70.1 | 0 | 0 | 115.1 | ||
| 608 | H | 31.7 | Very low | 32.2 | Very low | 172 Ų | 172 | 139.1 Ų | 139.1 | 80% | 0.796 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -130.2 | -4.1 | -168.4 | -128.4 | -57.9 | 0 | 0 | 0 | 118.2 | ||
| 609 | N | 29.9 | Very low | 31.4 | Very low | 149 Ų | 149 | 139.8 Ų | 139.8 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -110.7 | 47.1 | -175.3 | -77.7 | 3.2 | 0 | 0 | 0 | 114 | ||||
| 610 | H | 29.6 | Very low | 30.7 | Very low | 185 Ų | 185 | 140.7 Ų | 140.7 | 86% | 0.856 | 77% | 0.766 | S | S | * | * | trans | -131.3 | 22.1 | 173.5 | -80.5 | -59.9 | 0 | 0 | 0 | 114.4 | ||||
| 611 | L | 26 | Very low | 30.1 | Very low | 160 Ų | 160 | 138.6 Ų | 138.6 | 84% | 0.838 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -106.6 | 151 | 160.2 | -83.6 | 74.7 | 0 | 0 | 0 | 109.4 | ||
| 612 | S | 24.6 | Very low | 29.3 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | 71.3 | 72.4 | 171.8 | -57.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 613 | S | 27.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 74% | 0.741 | 78% | 0.782 | S | S | * | * | -157.8 | 79.2 | 128.7 | 53 | 0 | 0 | 0 | 0 | 112.4 | I615 | S613-I615 PolarHBondContact O-N 3.14Å; S613-I615 VanDerWaalsContact O-N 3.15Å | |||
| 614 | G | 23.2 | Very low | 27.9 | Very low | 86 Ų | 86 | 140.4 Ų | 140.4 | 89% | 0.887 | 79% | 0.785 | S | S | * | * | trans | -74.2 | 98 | 165 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 615 | I | 25.9 | Very low | 27.5 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 69% | 0.692 | 79% | 0.789 | S | S | * | * | trans | -126.2 | 109.6 | 173.6 | -60.1 | -178.4 | 0 | 0 | 0 | 109.2 | S613 V617 | S613-I615 PolarHBondContact O-N 3.14Å; S613-I615 VanDerWaalsContact O-N 3.15Å; I615-V617 HydrophobicContact CG2-CG2 4.18Å; I615-V617 PolarHBondContact O-N 2.92Å | ||
| 616 | T | 22.2 | Very low | 27.2 | Very low | 133 Ų | 133 | 144.2 Ų | 144.2 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -65.7 | 123 | 169.9 | -41.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 617 | V | 24.9 | Very low | 26.7 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 79% | 0.788 | 79% | 0.794 | S | S | * | * | trans | -116.5 | 105.8 | 173.3 | -177.4 | 0 | 0 | 0 | 0 | 109.2 | I615 | I615-V617 HydrophobicContact CG2-CG2 4.18Å; I615-V617 PolarHBondContact O-N 2.92Å | ||
| 618 | T | 22.3 | Very low | 26.4 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 72% | 0.718 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 155.8 | 179.2 | -45.3 | 0 | 0 | 0 | 0 | 111.3 | ||
| 619 | V | 24.1 | Very low | 26.3 | Very low | 125 Ų | 125 | 141.1 Ų | 141.1 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -54.2 | 135.2 | 176.8 | -178.9 | 0 | 0 | 0 | 0 | 111.4 | ||
| 620 | P | 24.8 | Very low | 26.1 | Very low | 119 Ų | 119 | 142.7 Ų | 142.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.4 | 138.2 | -176.8 | 31.8 | -35.3 | 0 | 0 | 0 | 113.1 | ||
| 621 | T | 26 | Very low | 25.9 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -138.2 | 119.1 | 169.2 | 48 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 622 | Q | 26.7 | Very low | 25.9 | Very low | 173 Ų | 173 | 136.4 Ų | 136.4 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | 71 | 110.7 | 148.3 | -63.6 | 177.2 | -22.3 | 0 | 0 | 121.5 | ||||
| 623 | N | 24.3 | Very low | 26 | Very low | 146 Ų | 146 | 138 Ų | 138 | 78% | 0.781 | 79% | 0.79 | S | S | * | * | trans | 74.2 | 162.6 | 133.3 | -69.5 | -22.7 | 0 | 0 | 0 | 121.8 | ||||
| 624 | I | 29.3 | Very low | 25.8 | Very low | 150 Ų | 150 | 138 Ų | 138 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | 69.9 | 87.8 | 177.8 | -48.4 | 174 | 0 | 0 | 0 | 111.7 | ||||
| 625 | I | 27.9 | Very low | 26.1 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 77% | 0.774 | 79% | 0.787 | S | S | * | * | 58.3 | 94 | 71.6 | -47.9 | 168.7 | 0 | 0 | 0 | 112.3 | |||||
| 626 | E | 29.8 | Very low | 26 | Very low | 187 Ų | 187 | 141 Ų | 141 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | -175 | 171.1 | 119.8 | -99.8 | -172.5 | -179.3 | 0 | 0 | 111.6 | |||||
| 627 | N | 27.8 | Very low | 26.2 | Very low | 137 Ų | 137 | 139.7 Ų | 139.7 | 73% | 0.733 | 79% | 0.791 | S | S | * | * | trans | -86.3 | 152.7 | -173.5 | -62.2 | -71.1 | 0 | 0 | 0 | 112.9 | ||||
| 628 | Y | 26.4 | Very low | 26.4 | Very low | 223 Ų | 223 | 141.6 Ų | 141.6 | 88% | 0.875 | 80% | 0.796 | S | S | * | * | 167.9 | 166.1 | 121.5 | -89.1 | -54.3 | 0 | 0 | 0 | 111.4 | |||||
| 629 | P | 29.2 | Very low | 26.6 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | trans | -125.2 | 167.8 | -131.1 | 43.5 | -29.9 | 0 | 0 | 0 | 116.5 | ||||
| 630 | L | 26.3 | Very low | 26.9 | Very low | 181 Ų | 181 | 140 Ų | 140 | 95% | 0.948 | 79% | 0.787 | S | S | * | * | trans | 41.2 | 87.2 | 148.2 | -133.4 | 77.7 | 0 | 0 | 0 | 117.6 | ||||
| 631 | G | 25.1 | Very low | 27.1 | Very low | 69 Ų | 69 | 139.6 Ų | 139.6 | 71% | 0.711 | 78% | 0.784 | S | S | * | * | trans | -163 | 147.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 632 | V | 25 | Very low | 27.5 | Very low | 144 Ų | 144 | 140.8 Ų | 140.8 | 87% | 0.873 | 79% | 0.785 | S | S | * | * | trans | 57.7 | 82.5 | 160.2 | -164.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 633 | L | 26.3 | Very low | 27.8 | Very low | 157 Ų | 157 | 137.8 Ų | 137.8 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | trans | -168.2 | 72.8 | 135.4 | -109.6 | 160.8 | 0 | 0 | 0 | 112 | S635 | L633-S635 PolarHBondContact O-N 3.34Š| ||
| 634 | A | 25 | Very low | 28.1 | Very low | 105 Ų | 105 | 134.1 Ų | 134.1 | 87% | 0.868 | 76% | 0.76 | S | S | * | * | trans | -92.8 | 73.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 635 | S | 28 | Very low | 28.1 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | -74.6 | 136.9 | 171 | 34.8 | 0 | 0 | 0 | 0 | 110.9 | L633 S637 | L633-S635 PolarHBondContact O-N 3.34Å; S635-S637 PolarHBondContact O-N 2.87Å | ||
| 636 | Q | 25.7 | Very low | 28.2 | Very low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | -63.4 | 123.3 | -161.4 | -64.2 | 168.6 | 2 | 0 | 0 | 113.8 | ||||
| 637 | S | 25.3 | Very low | 28.4 | Very low | 106 Ų | 106 | 125 Ų | 125 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | -89.6 | 106.4 | 168.5 | 48.8 | 0 | 0 | 0 | 0 | 111 | S635 S639 | S635-S637 PolarHBondContact O-N 2.87Å; S637-S639 VanDerWaalsContact C-N 3.33Å; S637-S639 PolarHBondContact O-N 2.9Å | ||
| 638 | L | 28.8 | Very low | 28.6 | Very low | 170 Ų | 170 | 122.5 Ų | 122.5 | 89% | 0.89 | 72% | 0.719 | S | S | * | * | trans | -72.6 | 90.4 | 165 | -88.3 | 132.8 | 0 | 0 | 0 | 109.2 | N640 | L638-N640 PolarHBondContact O-N 3.48Š| ||
| 639 | S | 27.8 | Very low | 28.9 | Very low | 101 Ų | 101 | 119 Ų | 119 | 71% | 0.706 | 71% | 0.711 | S | S | * | * | trans | -70.2 | 120 | -179.2 | 43.4 | 0 | 0 | 0 | 0 | 111.6 | S637 | S637-S639 VanDerWaalsContact C-N 3.33Å; S637-S639 PolarHBondContact O-N 2.9Å | ||
| 640 | N | 28.7 | Very low | 29 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 58% | 0.578 | 71% | 0.714 | S | S | * | * | trans | -96.6 | 108.5 | 176.5 | -161.2 | -12.8 | 0 | 0 | 0 | 108.9 | L638 L642 L643 | L638-N640 PolarHBondContact O-N 3.48Å; N640-L642 PolarHBondContact O-N 2.93Å; N640-L643 PolarHBondContact O-N 3.47Å | ||
| 641 | P | 30.4 | Very low | 29.3 | Very low | 110 Ų | 110 | 120.5 Ų | 120.5 | 71% | 0.714 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | -8.1 | -157.4 | 25.7 | -35.6 | 0 | 0 | 0 | 115.8 | ||
| 642 | L | 33.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 120.7 Ų | 120.7 | 76% | 0.759 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | -7.1 | -178 | -70.4 | 167.6 | 0 | 0 | 0 | 114.7 | N640 | N640-L642 PolarHBondContact O-N 2.93Š|
| 643 | L | 32.4 | Very low | 30 | Very low | 111 Ų | 111 | 119.8 Ų | 119.8 | 58% | 0.581 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | -16 | -178.9 | -75.5 | 166.4 | 0 | 0 | 0 | 114.2 | N640 S645 L646 | N640-L643 PolarHBondContact O-N 3.47Å; L643-S645 VanDerWaalsContact C-N 3.26Å; L643-S645 PolarHBondContact O-N 3.38Å; L643-L646 PolarHBondContact O-N 3.23Å |
| 644 | S | 30.3 | Very low | 30.4 | Very low | 69 Ų | 69 | 118.6 Ų | 118.6 | 48% | 0.483 | 67% | 0.673 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.8 | -14.8 | -176.1 | -53.9 | 0 | 0 | 0 | 0 | 115 | T648 | S644-T648 WeakPolarHBondContact O-CG2 3.28Å; S644-T648 PolarHBondContact O-OG1 3.22Å |
| 645 | S | 29.7 | Very low | 30.6 | Very low | 82 Ų | 82 | 124.4 Ų | 124.4 | 57% | 0.573 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -12.2 | 177.6 | 63.3 | 0 | 0 | 0 | 0 | 114.4 | L643 | L643-S645 VanDerWaalsContact C-N 3.26Å; L643-S645 PolarHBondContact O-N 3.38Å |
| 646 | L | 30.8 | Very low | 30.7 | Very low | 132 Ų | 132 | 124.3 Ų | 124.3 | 69% | 0.691 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -18.6 | -178.6 | -81.6 | 156.9 | 0 | 0 | 0 | 113.2 | L643 | L643-L646 PolarHBondContact O-N 3.23Š|
| 647 | T | 33.9 | Very low | 30.9 | Very low | 81 Ų | 81 | 121.3 Ų | 121.3 | 50% | 0.497 | 67% | 0.671 | S | S | . | * | S | Bend | trans | -97.1 | -17.6 | 179 | 52.6 | 0 | 0 | 0 | 0 | 113.4 | L651 | T647-L651 PolarHBondContact O-N 2.9Š|
| 648 | T | 31.8 | Very low | 31.1 | Very low | 85 Ų | 85 | 122.5 Ų | 122.5 | 52% | 0.521 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -75.6 | -34.3 | -176.1 | 25.5 | 0 | 0 | 0 | 0 | 113.4 | S644 S652 | S644-T648 WeakPolarHBondContact O-CG2 3.28Å; S644-T648 PolarHBondContact O-OG1 3.22Å; T648-S652 PolarHBondContact O-N 2.94Å; T648-S652 PolarHBondContact O-OG 2.82Å |
| 649 | E | 32.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 122.9 Ų | 122.9 | 70% | 0.701 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -74.2 | -22.8 | 175.7 | -64 | -166.6 | 140.5 | 0 | 0 | 113.8 | S652 N653 | E649-S652 PolarHBondContact O-OG 3.2Å; E649-S652 VanDerWaalsContact O-OG 3.06Å; E649-N653 PolarHBondContact O-ND2 3.21Å |
| 650 | W | 32 | Very low | 31.3 | Very low | 202 Ų | 202 | 126.3 Ų | 126.3 | 77% | 0.765 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -83.8 | -33.4 | 179.4 | -138.5 | 70.1 | 0 | 0 | 0 | 112.2 | ||
| 651 | L | 33 | Very low | 31.4 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 62% | 0.623 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -83.5 | -20.6 | 178.7 | -69 | 171.4 | 0 | 0 | 0 | 113.7 | T647 | T647-L651 PolarHBondContact O-N 2.9Å |
| 652 | S | 32.3 | Very low | 31.4 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 51% | 0.51 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -69.8 | -34 | 175.4 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | T648 E649 L654 | T648-S652 PolarHBondContact O-N 2.94Å; T648-S652 PolarHBondContact O-OG 2.82Å; E649-S652 PolarHBondContact O-OG 3.2Å; E649-S652 VanDerWaalsContact O-OG 3.06Å; S652-L654 VanDerWaalsContact C-N 3.29Å; S652-L654 PolarHBondContact O-N 3.16Å |
| 653 | N | 31.9 | Very low | 31.3 | Very low | 125 Ų | 125 | 127.4 Ų | 127.4 | 67% | 0.668 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.3 | -5.3 | -176.9 | -78 | -65.4 | 0 | 0 | 0 | 115 | E649 | E649-N653 PolarHBondContact O-ND2 3.21Š|
| 654 | L | 33.8 | Very low | 31.2 | Very low | 132 Ų | 132 | 127 Ų | 127 | 69% | 0.691 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.9 | 5.5 | -179.6 | -84.4 | 158.3 | 0 | 0 | 0 | 113.9 | S652 | S652-L654 VanDerWaalsContact C-N 3.29Å; S652-L654 PolarHBondContact O-N 3.16Å |
| 655 | R | 30.3 | Very low | 31.1 | Very low | 227 Ų | 227 | 128.7 Ų | 128.7 | 86% | 0.857 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -115.2 | 18.3 | -170.2 | -144 | 177 | -171.1 | -177.2 | 2.8 | 115.2 | ||
| 656 | S | 29.7 | Very low | 31.3 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 73% | 0.73 | S | S | * | * | trans | -117.5 | 39.2 | -167.2 | 46.5 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 657 | S | 30.3 | Very low | 31.4 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 74% | 0.737 | S | S | * | * | trans | -145.5 | 56.3 | 175.7 | -159.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 658 | T | 29.4 | Very low | 31.5 | Very low | 132 Ų | 132 | 134 Ų | 134 | 81% | 0.81 | 74% | 0.744 | S | S | * | * | trans | -141.5 | 84 | 172 | 55 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 659 | Q | 32.4 | Very low | 31.3 | Very low | 178 Ų | 178 | 138.2 Ų | 138.2 | 83% | 0.832 | 76% | 0.758 | S | S | * | * | trans | -125.8 | 108 | 155.5 | -80.5 | -174.6 | -46.7 | 0 | 0 | 107 | ||||
| 660 | Q | 28.3 | Very low | 31 | Very low | 173 Ų | 173 | 139.2 Ų | 139.2 | 81% | 0.808 | 77% | 0.767 | S | S | * | * | 63.6 | 93.7 | 94.8 | -76.7 | -170 | -30.9 | 0 | 0 | 114.7 | |||||
| 661 | S | 30.4 | Very low | 30.9 | Very low | 128 Ų | 128 | 133 Ų | 133 | 90% | 0.895 | 75% | 0.752 | S | S | * | * | trans | -153.5 | 146.3 | 132.5 | -81.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 662 | T | 30.7 | Very low | 31 | Very low | 128 Ų | 128 | 134 Ų | 134 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | trans | -107.7 | 138.9 | -172.5 | 45 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 663 | T | 32.2 | Very low | 31.3 | Very low | 129 Ų | 129 | 135.7 Ų | 135.7 | 79% | 0.791 | 76% | 0.76 | S | S | * | * | 164.5 | 143.8 | 115 | 37.7 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 664 | S | 28.5 | Very low | 31.6 | Very low | 102 Ų | 102 | 133.4 Ų | 133.4 | 71% | 0.713 | 75% | 0.754 | S | S | * | * | trans | 56.1 | 108.2 | 142.5 | -55 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 665 | S | 28.8 | Very low | 31.8 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | 57.7 | 107.6 | 131.4 | 63.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 666 | T | 35.2 | Very low | 32.3 | Very low | 146 Ų | 146 | 125.8 Ų | 125.8 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | -161.5 | 160 | 100.5 | 19 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 667 | L | 31.7 | Very low | 32.9 | Very low | 163 Ų | 163 | 128 Ų | 128 | 85% | 0.853 | 73% | 0.732 | S | S | * | * | trans | -115.4 | 165.8 | 178.9 | -75.4 | 162.5 | 0 | 0 | 0 | 108.9 | ||||
| 668 | P | 35.5 | Very low | 33.4 | Very low | 98 Ų | 98 | 127.3 Ų | 127.3 | 64% | 0.636 | 72% | 0.719 | S | S | * | * | -137.7 | 123.7 | -50.6 | 35.4 | -18.2 | 0 | 0 | 0 | 111.9 | L670 | P668-L670 PolarHBondContact O-N 3.17Š| |||
| 669 | E | 27.8 | Very low | 34.1 | Very low | 174 Ų | 174 | 126.4 Ų | 126.4 | 81% | 0.813 | 71% | 0.709 | S | S | * | * | trans | -86.3 | 107.6 | 178.3 | -155.6 | 172.7 | -170.2 | 0 | 0 | 112.5 | T671 | E669-T671 HydrophobicContact CG-CG2 4.03Å; E669-T671 PolarHBondContact O-N 2.96Å | ||
| 670 | L | 27.6 | Very low | 35 | Very low | 170 Ų | 170 | 122.9 Ų | 122.9 | 89% | 0.89 | 70% | 0.696 | S | S | * | * | trans | -85.3 | 72 | -178.4 | -80.2 | 162.5 | 0 | 0 | 0 | 111.8 | P668 | P668-L670 PolarHBondContact O-N 3.17Š| ||
| 671 | T | 29.4 | Very low | 35.9 | Very low | 73 Ų | 73 | 117.2 Ų | 117.2 | 45% | 0.448 | 68% | 0.678 | S | S | . | * | trans | -128.1 | 98.4 | -174.1 | 42.2 | 0 | 0 | 0 | 0 | 114.3 | E669 N673 | E669-T671 HydrophobicContact CG-CG2 4.03Å; E669-T671 PolarHBondContact O-N 2.96Å; T671-N673 VanDerWaalsContact C-N 3.27Å; T671-N673 PolarHBondContact O-N 3.14Å | ||
| 672 | L | 35.9 | Very low | 37.1 | Very low | 140 Ų | 140 | 115 Ų | 115 | 73% | 0.733 | 66% | 0.659 | S | S | * | * | S | Bend | trans | 51.5 | -29 | 162.7 | -80.8 | 91.1 | 0 | 0 | 0 | 122 | S674 V675 | L672-S674 VanDerWaalsContact C-N 3.32Å; L672-S674 PolarHBondContact O-N 2.64Å; L672-V675 PolarHBondContact O-N 3Å |
| 673 | N | 36.7 | Very low | 38.4 | Very low | 108 Ų | 108 | 111.5 Ų | 111.5 | 58% | 0.578 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.2 | -31 | -164.3 | -69.4 | -28.6 | 0 | 0 | 0 | 114.5 | T671 V675 I676 E677 | T671-N673 VanDerWaalsContact C-N 3.27Å; T671-N673 PolarHBondContact O-N 3.14Å; N673-V675 PolarHBondContact O-N 2.85Å; N673-I676 PolarHBondContact O-N 3.35Å; N673-I676 VanDerWaalsContact O-N 3.08Å; N673-E677 PolarHBondContact O-N 3.46Å |
| 674 | S | 39.5 | Very low | 40 | Very low | 77 Ų | 77 | 109.2 Ų | 109.2 | 54% | 0.538 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.9 | -22.9 | -179.9 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | L672 N678 | L672-S674 VanDerWaalsContact C-N 3.32Å; L672-S674 PolarHBondContact O-N 2.64Å; S674-N678 WeakPolarHBondContact O-CB 3.38Å; S674-N678 PolarHBondContact O-N 3.04Å; S674-N678 VanDerWaalsContact O-N 3.13Å; S674-N678 PolarHBondContact O-ND2 3.07Å |
| 675 | V | 37.4 | Very low | 41.8 | Very low | 92 Ų | 92 | 110 Ų | 110 | 56% | 0.558 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -75.1 | -40.2 | 174.1 | -179.2 | 0 | 0 | 0 | 0 | 110.4 | L672 N673 N678 L679 | L672-V675 PolarHBondContact O-N 3Å; N673-V675 PolarHBondContact O-N 2.85Å; V675-N678 PolarHBondContact O-N 3.35Å; V675-L679 HydrophobicContact CG1-CD1 4.06Å; V675-L679 WeakPolarHBondContact O-CB 3.34Å; V675-L679 VanDerWaalsContact O-CG 3.28Å; V675-L679 WeakPolarHBondContact O-CG 3.37Å; V675-L679 PolarHBondContact O-N 2.84Å |
| 676 | I | 40.5 | Very low | 44 | Very low | 107 Ų | 107 | 111.6 Ų | 111.6 | 55% | 0.549 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.8 | -42 | 178.6 | -59.7 | 173.9 | 0 | 0 | 0 | 110.1 | N673 L679 N680 | N673-I676 PolarHBondContact O-N 3.35Å; N673-I676 VanDerWaalsContact O-N 3.08Å; I676-L679 PolarHBondContact O-N 3.13Å; I676-N680 WeakPolarHBondContact O-CB 3.37Å; I676-N680 PolarHBondContact O-N 3.18Å |
| 677 | E | 42 | Very low | 45.9 | Very low | 145 Ų | 145 | 110.1 Ų | 110.1 | 68% | 0.678 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.1 | -39.7 | 175.3 | -69.2 | -172.1 | 145.2 | 0 | 0 | 112.7 | N673 N680 A681 | N673-E677 PolarHBondContact O-N 3.46Å; E677-N680 PolarHBondContact O-N 2.98Å; E677-A681 WeakPolarHBondContact O-CB 3.29Å; E677-A681 PolarHBondContact O-N 3.42Å |
| 678 | N | 42.5 | Very low | 47.8 | Very low | 106 Ų | 106 | 110 Ų | 110 | 57% | 0.567 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.6 | -37.6 | 174.5 | -85.8 | -72.9 | 0 | 0 | 0 | 112.9 | S674 V675 N680 A681 T682 | S674-N678 WeakPolarHBondContact O-CB 3.38Å; S674-N678 PolarHBondContact O-N 3.04Å; S674-N678 VanDerWaalsContact O-N 3.13Å; S674-N678 PolarHBondContact O-ND2 3.07Å; V675-N678 PolarHBondContact O-N 3.35Å; N678-N680 VanDerWaalsContact C-N 3.31Å; N678-N680 PolarHBondContact O-N 3.03Å; N678-A681 PolarHBondContact O-N 2.91Å; N678-T682 WeakPolarHBondContact O-CG2 3.44Å; N678-T682 PolarHBondContact O-N 3.1Å; N678-T682 PolarHBondContact O-OG1 3.09Å |
| 679 | L | 44 | Very low | 49.8 | Very low | 112 Ų | 112 | 112.1 Ų | 112.1 | 59% | 0.586 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -62.4 | -39.1 | 172.6 | -75.5 | 167.3 | 0 | 0 | 0 | 111.6 | V675 I676 T682 S683 | V675-L679 HydrophobicContact CG1-CD1 4.06Å; V675-L679 WeakPolarHBondContact O-CB 3.34Å; V675-L679 VanDerWaalsContact O-CG 3.28Å; V675-L679 WeakPolarHBondContact O-CG 3.37Å; V675-L679 PolarHBondContact O-N 2.84Å; I676-L679 PolarHBondContact O-N 3.13Å; L679-T682 WeakPolarHBondContact CA-OG1 3.43Å; L679-T682 PolarHBondContact O-OG1 3.46Å; L679-T682 VanDerWaalsContact O-OG1 3.05Å; L679-S683 PolarHBondContact O-N 2.99Å |
| 680 | N | 51.2 | Low | 52.1 | Low | 105 Ų | 105 | 110.3 Ų | 110.3 | 56% | 0.561 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -72.7 | -37.8 | 176.2 | -148.6 | 16.4 | 0 | 0 | 0 | 112.2 | I676 E677 N678 S683 V684 | I676-N680 WeakPolarHBondContact O-CB 3.37Å; I676-N680 PolarHBondContact O-N 3.18Å; E677-N680 PolarHBondContact O-N 2.98Å; N678-N680 VanDerWaalsContact C-N 3.31Å; N678-N680 PolarHBondContact O-N 3.03Å; N680-S683 PolarHBondContact O-N 3.27Å; N680-S683 PolarHBondContact O-OG 3.32Å; N680-V684 WeakPolarHBondContact O-CB 3.3Å; N680-V684 VanDerWaalsContact O-CG2 3.29Å; N680-V684 WeakPolarHBondContact O-CG2 3.24Å; N680-V684 PolarHBondContact O-N 3.24Å |
| 681 | A | 47.1 | Very low | 54.4 | Low | 53 Ų | 53 | 110.8 Ų | 110.8 | 44% | 0.438 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.5 | -41.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | E677 N678 V684 L685 | E677-A681 WeakPolarHBondContact O-CB 3.29Å; E677-A681 PolarHBondContact O-N 3.42Å; N678-A681 PolarHBondContact O-N 2.91Å; A681-V684 PolarHBondContact O-N 2.94Å; A681-L685 WeakPolarHBondContact O-CB 3.44Å; A681-L685 PolarHBondContact O-N 3.1Å |
| 682 | T | 54.4 | Low | 56.7 | Low | 82 Ų | 82 | 112 Ų | 112 | 50% | 0.503 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -69.1 | -37.3 | 176.1 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | N678 L679 L685 Q686 | N678-T682 WeakPolarHBondContact O-CG2 3.44Å; N678-T682 PolarHBondContact O-N 3.1Å; N678-T682 PolarHBondContact O-OG1 3.09Å; L679-T682 WeakPolarHBondContact CA-OG1 3.43Å; L679-T682 PolarHBondContact O-OG1 3.46Å; L679-T682 VanDerWaalsContact O-OG1 3.05Å; T682-L685 PolarHBondContact O-N 3.46Å; T682-Q686 WeakPolarHBondContact O-CB 3.39Å; T682-Q686 PolarHBondContact O-N 3.44Å |
| 683 | S | 58.8 | Low | 58.4 | Low | 54 Ų | 54 | 111.5 Ų | 111.5 | 38% | 0.378 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.5 | -40.3 | 174.3 | 76.4 | 0 | 0 | 0 | 0 | 112.1 | L679 N680 Q686 Q687 | L679-S683 PolarHBondContact O-N 2.99Å; N680-S683 PolarHBondContact O-N 3.27Å; N680-S683 PolarHBondContact O-OG 3.32Å; S683-Q686 PolarHBondContact O-N 3.44Å; S683-Q687 WeakPolarHBondContact O-CB 3.46Å; S683-Q687 PolarHBondContact O-N 2.97Å |
| 684 | V | 64.5 | Low | 60.3 | Low | 82 Ų | 82 | 112.3 Ų | 112.3 | 50% | 0.497 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.9 | -41.1 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 111.6 | N680 A681 Q687 Y688 | N680-V684 WeakPolarHBondContact O-CB 3.3Å; N680-V684 VanDerWaalsContact O-CG2 3.29Å; N680-V684 WeakPolarHBondContact O-CG2 3.24Å; N680-V684 PolarHBondContact O-N 3.24Å; A681-V684 PolarHBondContact O-N 2.94Å; V684-Q687 PolarHBondContact O-N 2.99Å; V684-Y688 WeakPolarHBondContact O-CB 3.35Å; V684-Y688 PolarHBondContact O-N 2.95Å |
| 685 | L | 68.2 | Low | 61.9 | Low | 118 Ų | 118 | 113.2 Ų | 113.2 | 62% | 0.618 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -62.8 | -43.7 | 174.4 | -110.6 | 165.6 | 0 | 0 | 0 | 112 | A681 T682 Y688 Q689 | A681-L685 WeakPolarHBondContact O-CB 3.44Å; A681-L685 PolarHBondContact O-N 3.1Å; T682-L685 PolarHBondContact O-N 3.46Å; L685-Y688 PolarHBondContact O-N 3.08Å; L685-Q689 WeakPolarHBondContact O-CB 3.44Å; L685-Q689 PolarHBondContact O-N 3.14Å |
| 686 | Q | 73.3 | Confident | 63.7 | Low | 139 Ų | 139 | 113.2 Ų | 113.2 | 65% | 0.65 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -63.7 | -42.8 | 176.4 | -168 | 177.9 | 33.8 | 0 | 0 | 111.4 | T682 S683 Q689 Q690 | T682-Q686 WeakPolarHBondContact O-CB 3.39Å; T682-Q686 PolarHBondContact O-N 3.44Å; S683-Q686 PolarHBondContact O-N 3.44Å; Q686-Q689 PolarHBondContact O-N 2.86Å; Q686-Q690 WeakPolarHBondContact O-CB 3.47Å; Q686-Q690 PolarHBondContact O-N 3.46Å |
| 687 | Q | 75.1 | Confident | 65.1 | Low | 114 Ų | 114 | 110.7 Ų | 110.7 | 53% | 0.533 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -64.4 | -39.2 | 175.8 | -167.8 | -175.1 | 44 | 0 | 0 | 112 | S683 V684 R691 | S683-Q687 WeakPolarHBondContact O-CB 3.46Å; S683-Q687 PolarHBondContact O-N 2.97Å; V684-Q687 PolarHBondContact O-N 2.99Å; Q687-R691 WeakPolarHBondContact O-CB 3.44Å; Q687-R691 PolarHBondContact O-N 3.44Å |
| 688 | Y | 72.6 | Confident | 66.6 | Low | 162 Ų | 162 | 106.6 Ų | 106.6 | 64% | 0.635 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.3 | -46.9 | 175.1 | -176.2 | -94 | 0 | 0 | 0 | 111.5 | V684 L685 Q690 R691 H692 | V684-Y688 WeakPolarHBondContact O-CB 3.35Å; V684-Y688 PolarHBondContact O-N 2.95Å; L685-Y688 PolarHBondContact O-N 3.08Å; Y688-Q690 PolarHBondContact O-N 3.26Å; Y688-R691 PolarHBondContact O-N 3.03Å; Y688-H692 PolarHBondContact O-N 3.06Å |
| 689 | Q | 76.7 | Confident | 68.3 | Low | 141 Ų | 141 | 106.7 Ų | 106.7 | 66% | 0.659 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.3 | -42.2 | 177.3 | -168.2 | 176.6 | 13.3 | 0 | 0 | 111.7 | L685 Q686 H692 L693 | L685-Q689 WeakPolarHBondContact O-CB 3.44Å; L685-Q689 PolarHBondContact O-N 3.14Å; Q686-Q689 PolarHBondContact O-N 2.86Å; Q689-H692 PolarHBondContact O-N 3.42Å; Q689-L693 PolarHBondContact O-N 2.8Å |
| 690 | Q | 76.7 | Confident | 69.8 | Low | 136 Ų | 136 | 108 Ų | 108 | 64% | 0.636 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.6 | -42.1 | 176.3 | -164.8 | 179.6 | 39.7 | 0 | 0 | 111.8 | Q686 Y688 L693 L694 | Q686-Q690 WeakPolarHBondContact O-CB 3.47Å; Q686-Q690 PolarHBondContact O-N 3.46Å; Y688-Q690 PolarHBondContact O-N 3.26Å; Q690-L693 PolarHBondContact O-N 2.86Å; Q690-L694 WeakPolarHBondContact O-CB 3.46Å; Q690-L694 PolarHBondContact O-N 3.45Å; Q690-L694 VanDerWaalsContact O-N 3.12Å |
| 691 | R | 75.8 | Confident | 71 | Confident | 181 Ų | 181 | 109.5 Ų | 109.5 | 68% | 0.683 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -62.3 | -43.2 | 172.6 | -93 | -174.5 | 163.2 | 168.5 | -3.3 | 112.4 | Q687 Y688 L693 L694 T695 | Q687-R691 WeakPolarHBondContact O-CB 3.44Å; Q687-R691 PolarHBondContact O-N 3.44Å; Y688-R691 PolarHBondContact O-N 3.03Å; R691-L693 VanDerWaalsContact C-N 3.33Å; R691-L693 PolarHBondContact O-N 3.02Å; R691-L694 PolarHBondContact O-N 2.98Å; R691-T695 PolarHBondContact O-N 2.96Å; R691-T695 PolarHBondContact O-OG1 3.23Å |
| 692 | H | 76.8 | Confident | 72.4 | Confident | 99 Ų | 99 | 113 Ų | 113 | 46% | 0.458 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.5 | -41.4 | 179.6 | -166.5 | -18.5 | 0 | 0 | 0 | 111.6 | Y688 Q689 L694 T695 L696 | Y688-H692 PolarHBondContact O-N 3.06Å; Q689-H692 PolarHBondContact O-N 3.42Å; H692-L694 VanDerWaalsContact C-N 3.33Å; H692-L694 PolarHBondContact O-N 3.42Å; H692-T695 PolarHBondContact O-N 3.5Å; H692-L696 WeakPolarHBondContact O-CG 3.48Å; H692-L696 PolarHBondContact O-N 3.5Å; H692-L696 VanDerWaalsContact O-N 3.07Å |
| 693 | L | 73.4 | Confident | 73.3 | Confident | 128 Ų | 128 | 114.4 Ų | 114.4 | 67% | 0.67 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.6 | -41.8 | 175.2 | -162.9 | 77.1 | 0 | 0 | 0 | 111.8 | Q689 Q690 R691 L696 A697 | Q689-L693 PolarHBondContact O-N 2.8Å; Q690-L693 PolarHBondContact O-N 2.86Å; R691-L693 VanDerWaalsContact C-N 3.33Å; R691-L693 PolarHBondContact O-N 3.02Å; L693-L696 PolarHBondContact O-N 3.5Å; L693-A697 PolarHBondContact O-N 3.09Å |
| 694 | L | 76 | Confident | 73.9 | Confident | 125 Ų | 125 | 118.4 Ų | 118.4 | 65% | 0.654 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.4 | -38.2 | -179 | -146 | 140.8 | 0 | 0 | 0 | 112 | Q690 R691 H692 A697 A698 | Q690-L694 WeakPolarHBondContact O-CB 3.46Å; Q690-L694 PolarHBondContact O-N 3.45Å; Q690-L694 VanDerWaalsContact O-N 3.12Å; R691-L694 PolarHBondContact O-N 2.98Å; H692-L694 VanDerWaalsContact C-N 3.33Å; H692-L694 PolarHBondContact O-N 3.42Å; L694-A697 PolarHBondContact O-N 3.27Å; L694-A698 WeakPolarHBondContact O-CB 3.39Å; L694-A698 PolarHBondContact O-N 3Å |
| 695 | T | 73.8 | Confident | 74.3 | Confident | 96 Ų | 96 | 118.9 Ų | 118.9 | 59% | 0.589 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.9 | -40.6 | 172.4 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | R691 H692 A698 L699 | R691-T695 PolarHBondContact O-N 2.96Å; R691-T695 PolarHBondContact O-OG1 3.23Å; H692-T695 PolarHBondContact O-N 3.5Å; T695-A698 PolarHBondContact O-N 3.22Å; T695-L699 PolarHBondContact O-N 2.94Å |
| 696 | L | 73.4 | Confident | 74.5 | Confident | 93 Ų | 93 | 118.6 Ų | 118.6 | 49% | 0.487 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.9 | -44.2 | 175.9 | -73.7 | 167.5 | 0 | 0 | 0 | 111.7 | H692 L693 A698 L699 Q700 | H692-L696 WeakPolarHBondContact O-CG 3.48Å; H692-L696 PolarHBondContact O-N 3.5Å; H692-L696 VanDerWaalsContact O-N 3.07Å; L693-L696 PolarHBondContact O-N 3.5Å; L696-A698 VanDerWaalsContact C-N 3.33Å; L696-A698 PolarHBondContact O-N 3.09Å; L696-L699 PolarHBondContact O-N 2.96Å; L696-Q700 PolarHBondContact O-N 3.38Å |
| 697 | A | 70.6 | Confident | 73.9 | Confident | 54 Ų | 54 | 114.3 Ų | 114.3 | 45% | 0.446 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.7 | -38.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | L693 L694 K701 | L693-A697 PolarHBondContact O-N 3.09Å; L694-A697 PolarHBondContact O-N 3.27Å; A697-K701 WeakPolarHBondContact O-CB 3.42Å; A697-K701 PolarHBondContact O-N 3.06Å |
| 698 | A | 74.3 | Confident | 73.4 | Confident | 58 Ų | 58 | 113.4 Ų | 113.4 | 48% | 0.479 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64.6 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L694 T695 L696 K701 H702 | L694-A698 WeakPolarHBondContact O-CB 3.39Å; L694-A698 PolarHBondContact O-N 3Å; T695-A698 PolarHBondContact O-N 3.22Å; L696-A698 VanDerWaalsContact C-N 3.33Å; L696-A698 PolarHBondContact O-N 3.09Å; A698-K701 PolarHBondContact O-N 3.46Å; A698-H702 PolarHBondContact O-N 3.47Å |
| 699 | L | 78.5 | Confident | 72.9 | Confident | 109 Ų | 109 | 107.6 Ų | 107.6 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.6 | -44.6 | 176.2 | -165.9 | 81.6 | 0 | 0 | 0 | 111.7 | T695 L696 H702 Q703 | T695-L699 PolarHBondContact O-N 2.94Å; L696-L699 PolarHBondContact O-N 2.96Å; L699-H702 WeakPolarHBondContact O-CB 3.46Å; L699-H702 PolarHBondContact O-N 3.31Å; L699-Q703 PolarHBondContact O-N 3.49Å |
| 700 | Q | 75.5 | Confident | 72.2 | Confident | 139 Ų | 139 | 104.4 Ų | 104.4 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -61.3 | -44.4 | 176.7 | -173.1 | -179.4 | 10.1 | 0 | 0 | 111.6 | L696 H702 Q703 Q704 | L696-Q700 PolarHBondContact O-N 3.38Å; Q700-H702 VanDerWaalsContact C-N 3.31Å; Q700-H702 PolarHBondContact O-N 3.19Å; Q700-Q703 PolarHBondContact O-N 2.56Å; Q700-Q704 PolarHBondContact O-N 2.85Å |
| 701 | K | 75.1 | Confident | 71.7 | Confident | 137 Ų | 137 | 103 Ų | 103 | 60% | 0.596 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -37.1 | 175.4 | -172.1 | 177.5 | -179.3 | -179.3 | 0 | 112.1 | A697 A698 Q704 N705 | A697-K701 WeakPolarHBondContact O-CB 3.42Å; A697-K701 PolarHBondContact O-N 3.06Å; A698-K701 PolarHBondContact O-N 3.46Å; K701-Q704 PolarHBondContact O-N 3.22Å; K701-N705 PolarHBondContact O-N 3.03Å |
| 702 | H | 77.2 | Confident | 71.4 | Confident | 125 Ų | 125 | 99.8 Ų | 99.8 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.2 | -47.7 | 176.1 | -172.5 | 78 | 0 | 0 | 0 | 111.9 | A698 L699 Q700 Q704 N705 Q706 | A698-H702 PolarHBondContact O-N 3.47Å; L699-H702 WeakPolarHBondContact O-CB 3.46Å; L699-H702 PolarHBondContact O-N 3.31Å; Q700-H702 VanDerWaalsContact C-N 3.31Å; Q700-H702 PolarHBondContact O-N 3.19Å; H702-Q704 VanDerWaalsContact C-N 3.34Å; H702-Q704 PolarHBondContact O-N 3.03Å; H702-N705 PolarHBondContact O-N 3.45Å; H702-Q706 PolarHBondContact O-N 3.29Å |
| 703 | Q | 73.3 | Confident | 70.8 | Confident | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60 | -41.6 | 174 | -79 | -165.4 | -16.5 | 0 | 0 | 112.5 | L699 Q700 N705 Q706 A707 | L699-Q703 PolarHBondContact O-N 3.49Å; Q700-Q703 PolarHBondContact O-N 2.56Å; Q703-N705 VanDerWaalsContact C-N 3.34Å; Q703-N705 PolarHBondContact O-N 3.28Å; Q703-Q706 PolarHBondContact O-N 3.03Å; Q703-A707 WeakPolarHBondContact O-CB 3.34Å; Q703-A707 PolarHBondContact O-N 2.93Å |
| 704 | Q | 72.2 | Confident | 70.3 | Confident | 138 Ų | 138 | 96.2 Ų | 96.2 | 65% | 0.645 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.3 | -41.3 | 178.1 | -172 | 177.7 | 3.6 | 0 | 0 | 112 | Q700 K701 H702 L708 | Q700-Q704 PolarHBondContact O-N 2.85Å; K701-Q704 PolarHBondContact O-N 3.22Å; H702-Q704 VanDerWaalsContact C-N 3.34Å; H702-Q704 PolarHBondContact O-N 3.03Å; Q704-L708 WeakPolarHBondContact O-CB 3.49Å; Q704-L708 PolarHBondContact O-N 3.27Å |
| 705 | N | 72.2 | Confident | 69.8 | Low | 92 Ų | 92 | 94 Ų | 94 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 175.5 | -74.6 | 0.7 | 0 | 0 | 0 | 112.1 | K701 H702 Q703 L708 A709 | K701-N705 PolarHBondContact O-N 3.03Å; H702-N705 PolarHBondContact O-N 3.45Å; Q703-N705 VanDerWaalsContact C-N 3.34Å; Q703-N705 PolarHBondContact O-N 3.28Å; N705-L708 PolarHBondContact O-N 2.97Å; N705-A709 PolarHBondContact O-N 2.96Å |
| 706 | Q | 71.6 | Confident | 69.5 | Low | 112 Ų | 112 | 94.7 Ų | 94.7 | 52% | 0.523 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 176.9 | -168.7 | 179.9 | 24 | 0 | 0 | 111.8 | H702 Q703 A709 L710 | H702-Q706 PolarHBondContact O-N 3.29Å; Q703-Q706 PolarHBondContact O-N 3.03Å; Q706-A709 PolarHBondContact O-N 3.5Å; Q706-L710 WeakPolarHBondContact O-CG 3.45Å; Q706-L710 PolarHBondContact O-N 2.94Å |
| 707 | A | 60.2 | Low | 69.2 | Low | 49 Ų | 49 | 94.5 Ų | 94.5 | 41% | 0.405 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.2 | -40.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q703 L710 I711 | Q703-A707 WeakPolarHBondContact O-CB 3.34Å; Q703-A707 PolarHBondContact O-N 2.93Å; A707-L710 PolarHBondContact O-N 3.44Å; A707-I711 WeakPolarHBondContact O-CG1 3.38Å; A707-I711 PolarHBondContact O-N 3.03Å |
| 708 | L | 65.5 | Low | 69.2 | Low | 95 Ų | 95 | 98 Ų | 98 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 177 | -173.4 | 64.2 | 0 | 0 | 0 | 112 | Q704 N705 L710 I711 Q712 | Q704-L708 WeakPolarHBondContact O-CB 3.49Å; Q704-L708 PolarHBondContact O-N 3.27Å; N705-L708 PolarHBondContact O-N 2.97Å; L708-L710 PolarHBondContact O-N 3.07Å; L708-I711 PolarHBondContact O-N 3.39Å; L708-Q712 WeakPolarHBondContact O-CG 3.45Å; L708-Q712 PolarHBondContact O-N 3.11Å |
| 709 | A | 62.5 | Low | 68.9 | Low | 41 Ų | 41 | 100.9 Ų | 100.9 | 34% | 0.339 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -39.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | N705 Q706 Q712 N713 | N705-A709 PolarHBondContact O-N 2.96Å; Q706-A709 PolarHBondContact O-N 3.5Å; A709-Q712 PolarHBondContact O-N 2.91Å; A709-N713 WeakPolarHBondContact O-CB 3.38Å; A709-N713 PolarHBondContact O-N 3.49Å; A709-N713 PolarHBondContact O-ND2 3.17Å |
| 710 | L | 62.5 | Low | 68.4 | Low | 74 Ų | 74 | 100.9 Ų | 100.9 | 39% | 0.387 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -40.1 | 173.6 | -74 | 170.5 | 0 | 0 | 0 | 112.2 | Q706 A707 L708 A714 | Q706-L710 WeakPolarHBondContact O-CG 3.45Å; Q706-L710 PolarHBondContact O-N 2.94Å; A707-L710 PolarHBondContact O-N 3.44Å; L708-L710 PolarHBondContact O-N 3.07Å; L710-A714 WeakPolarHBondContact O-CB 3.38Å; L710-A714 PolarHBondContact O-N 2.95Å |
| 711 | I | 66.4 | Low | 67.9 | Low | 105 Ų | 105 | 99.7 Ų | 99.7 | 54% | 0.538 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 175.6 | -68.3 | 164.1 | 0 | 0 | 0 | 110.9 | A707 L708 N713 A714 V715 | A707-I711 WeakPolarHBondContact O-CG1 3.38Å; A707-I711 PolarHBondContact O-N 3.03Å; L708-I711 PolarHBondContact O-N 3.39Å; I711-N713 PolarHBondContact O-N 3.06Å; I711-A714 PolarHBondContact O-N 3.15Å; I711-V715 HydrophobicContact CG2-CG2 4.49Å; I711-V715 WeakPolarHBondContact O-CG2 3.33Å; I711-V715 PolarHBondContact O-N 3.17Å |
| 712 | Q | 68.1 | Low | 67.2 | Low | 115 Ų | 115 | 101.9 Ų | 101.9 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -60.6 | -45.8 | 177.3 | -73.4 | 175.7 | -51.1 | 0 | 0 | 111.9 | L708 A709 A714 V715 L716 | L708-Q712 WeakPolarHBondContact O-CG 3.45Å; L708-Q712 PolarHBondContact O-N 3.11Å; A709-Q712 PolarHBondContact O-N 2.91Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 3.24Å; Q712-V715 PolarHBondContact O-N 3.47Å; Q712-L716 WeakPolarHBondContact O-CB 3.18Å; Q712-L716 PolarHBondContact O-N 3.43Å |
| 713 | N | 64.7 | Low | 66.6 | Low | 105 Ų | 105 | 100.6 Ų | 100.6 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.1 | -40.1 | 176.1 | -73.7 | -20 | 0 | 0 | 0 | 112.2 | A709 I711 L716 L717 | A709-N713 WeakPolarHBondContact O-CB 3.38Å; A709-N713 PolarHBondContact O-N 3.49Å; A709-N713 PolarHBondContact O-ND2 3.17Å; I711-N713 PolarHBondContact O-N 3.06Å; N713-L716 PolarHBondContact O-N 3.4Å; N713-L717 WeakPolarHBondContact O-CB 3.48Å; N713-L717 PolarHBondContact O-N 2.84Å |
| 714 | A | 62.1 | Low | 66.1 | Low | 47 Ų | 47 | 99.6 Ų | 99.6 | 39% | 0.388 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L710 I711 Q712 L717 Q718 | L710-A714 WeakPolarHBondContact O-CB 3.38Å; L710-A714 PolarHBondContact O-N 2.95Å; I711-A714 PolarHBondContact O-N 3.15Å; Q712-A714 VanDerWaalsContact C-N 3.34Å; Q712-A714 PolarHBondContact O-N 3.24Å; A714-L717 PolarHBondContact O-N 3.01Å; A714-Q718 WeakPolarHBondContact O-CB 3.42Å; A714-Q718 PolarHBondContact O-N 3.45Å |
| 715 | V | 66.2 | Low | 65.8 | Low | 79 Ų | 79 | 98.1 Ų | 98.1 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64 | -43.3 | 175.2 | 170.4 | 0 | 0 | 0 | 0 | 111 | I711 Q712 Q718 Q719 | I711-V715 HydrophobicContact CG2-CG2 4.49Å; I711-V715 WeakPolarHBondContact O-CG2 3.33Å; I711-V715 PolarHBondContact O-N 3.17Å; Q712-V715 PolarHBondContact O-N 3.47Å; V715-Q718 PolarHBondContact O-N 2.98Å; V715-Q719 WeakPolarHBondContact O-CB 3.21Å; V715-Q719 PolarHBondContact O-N 3.43Å |
| 716 | L | 67.7 | Low | 65.4 | Low | 109 Ų | 109 | 98.2 Ų | 98.2 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 177.9 | -172 | 143.6 | 0 | 0 | 0 | 111.8 | Q712 N713 Q719 Q720 | Q712-L716 WeakPolarHBondContact O-CB 3.18Å; Q712-L716 PolarHBondContact O-N 3.43Å; N713-L716 PolarHBondContact O-N 3.4Å; L716-Q719 PolarHBondContact O-N 3.39Å; L716-Q720 WeakPolarHBondContact O-CB 3.43Å; L716-Q720 PolarHBondContact O-N 2.75Å |
| 717 | L | 66.5 | Low | 64.8 | Low | 89 Ų | 89 | 95.6 Ų | 95.6 | 47% | 0.466 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 172.5 | -115.7 | 161.3 | 0 | 0 | 0 | 112.1 | N713 A714 Q719 Q720 Q721 | N713-L717 WeakPolarHBondContact O-CB 3.48Å; N713-L717 PolarHBondContact O-N 2.84Å; A714-L717 PolarHBondContact O-N 3.01Å; L717-Q719 VanDerWaalsContact C-N 3.35Å; L717-Q720 PolarHBondContact O-N 3.44Å; L717-Q721 WeakPolarHBondContact O-CG 3.32Å; L717-Q721 PolarHBondContact O-N 3.22Å |
| 718 | Q | 70.8 | Confident | 65.1 | Low | 129 Ų | 129 | 98.5 Ų | 98.5 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.7 | -38.7 | 176.6 | -169 | -179.6 | 30.4 | 0 | 0 | 111.9 | A714 V715 R722 | A714-Q718 WeakPolarHBondContact O-CB 3.42Å; A714-Q718 PolarHBondContact O-N 3.45Å; V715-Q718 PolarHBondContact O-N 2.98Å; Q718-R722 WeakPolarHBondContact O-CB 3.5Å; Q718-R722 PolarHBondContact O-N 3.39Å |
| 719 | Q | 68.4 | Low | 64.7 | Low | 118 Ų | 118 | 96.6 Ų | 96.6 | 55% | 0.551 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -68.6 | -40.4 | 176.1 | -166.9 | 172.4 | 15.6 | 0 | 0 | 111.6 | V715 L716 L717 R722 N723 | V715-Q719 WeakPolarHBondContact O-CB 3.21Å; V715-Q719 PolarHBondContact O-N 3.43Å; L716-Q719 PolarHBondContact O-N 3.39Å; L717-Q719 VanDerWaalsContact C-N 3.35Å; Q719-R722 WeakPolarHBondContact O-CB 3.39Å; Q719-R722 PolarHBondContact O-N 3.02Å; Q719-N723 VanDerWaalsContact O-CG 3.27Å; Q719-N723 PolarHBondContact O-N 2.92Å; Q719-N723 PolarHBondContact O-OD1 3.35Å |
| 720 | Q | 67.9 | Low | 64.8 | Low | 109 Ų | 109 | 97.4 Ų | 97.4 | 51% | 0.509 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.5 | -43.2 | 174.1 | -166.4 | 179.8 | 24.9 | 0 | 0 | 111.8 | L716 L717 R722 N723 N724 | L716-Q720 WeakPolarHBondContact O-CB 3.43Å; L716-Q720 PolarHBondContact O-N 2.75Å; L717-Q720 PolarHBondContact O-N 3.44Å; Q720-R722 VanDerWaalsContact C-N 3.34Å; Q720-R722 PolarHBondContact O-N 2.96Å; Q720-N723 PolarHBondContact O-N 2.82Å; Q720-N724 VanDerWaalsContact O-CG 3.26Å; Q720-N724 PolarHBondContact O-N 3.37Å |
| 721 | Q | 65 | Low | 65 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 53% | 0.533 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 172.1 | -74.8 | -179.2 | -1.5 | 0 | 0 | 112 | L717 N724 N725 | L717-Q721 WeakPolarHBondContact O-CG 3.32Å; L717-Q721 PolarHBondContact O-N 3.22Å; Q721-N724 PolarHBondContact O-N 3.07Å; Q721-N725 WeakPolarHBondContact O-CB 3.26Å; Q721-N725 VanDerWaalsContact O-CG 3.25Å; Q721-N725 PolarHBondContact O-N 3.16Å; Q721-N725 PolarHBondContact O-ND2 3.38Å |
| 722 | R | 60.4 | Low | 65.2 | Low | 183 Ų | 183 | 97.1 Ų | 97.1 | 69% | 0.691 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 176.7 | -162 | 179.1 | -162.8 | 130.7 | 1.8 | 111.6 | Q718 Q719 Q720 N725 V726 | Q718-R722 WeakPolarHBondContact O-CB 3.5Å; Q718-R722 PolarHBondContact O-N 3.39Å; Q719-R722 WeakPolarHBondContact O-CB 3.39Å; Q719-R722 PolarHBondContact O-N 3.02Å; Q720-R722 VanDerWaalsContact C-N 3.34Å; Q720-R722 PolarHBondContact O-N 2.96Å; R722-N725 PolarHBondContact O-N 2.98Å; R722-V726 WeakPolarHBondContact O-CG2 3.48Å; R722-V726 PolarHBondContact O-N 3.44Å |
| 723 | N | 63.5 | Low | 65.4 | Low | 98 Ų | 98 | 96 Ų | 96 | 52% | 0.524 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.9 | -43.5 | 177.8 | -68.9 | -4.7 | 0 | 0 | 0 | 111.7 | Q719 Q720 N725 V726 A727 | Q719-N723 VanDerWaalsContact O-CG 3.27Å; Q719-N723 PolarHBondContact O-N 2.92Å; Q719-N723 PolarHBondContact O-OD1 3.35Å; Q720-N723 PolarHBondContact O-N 2.82Å; N723-N725 VanDerWaalsContact C-N 3.34Å; N723-N725 PolarHBondContact O-N 3.33Å; N723-V726 PolarHBondContact O-N 2.91Å; N723-A727 WeakPolarHBondContact O-CB 3.46Å; N723-A727 PolarHBondContact O-N 3.13Å |
| 724 | N | 64.1 | Low | 66 | Low | 90 Ų | 90 | 96.4 Ų | 96.4 | 48% | 0.481 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 175.2 | -69.3 | -12.3 | 0 | 0 | 0 | 111.9 | Q720 Q721 A727 N728 | Q720-N724 VanDerWaalsContact O-CG 3.26Å; Q720-N724 PolarHBondContact O-N 3.37Å; Q721-N724 PolarHBondContact O-N 3.07Å; N724-A727 PolarHBondContact O-N 3.33Å; N724-N728 WeakPolarHBondContact O-CB 3.42Å; N724-N728 VanDerWaalsContact O-CG 3.27Å; N724-N728 PolarHBondContact O-N 3.45Å; N724-N728 PolarHBondContact O-ND2 2.71Å |
| 725 | N | 65.2 | Low | 66.6 | Low | 107 Ų | 107 | 101.7 Ų | 101.7 | 57% | 0.572 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -68 | -38.2 | 177.2 | -71.6 | -13.4 | 0 | 0 | 0 | 112.4 | Q721 R722 N723 A729 | Q721-N725 WeakPolarHBondContact O-CB 3.26Å; Q721-N725 VanDerWaalsContact O-CG 3.25Å; Q721-N725 PolarHBondContact O-N 3.16Å; Q721-N725 PolarHBondContact O-ND2 3.38Å; R722-N725 PolarHBondContact O-N 2.98Å; N723-N725 VanDerWaalsContact C-N 3.34Å; N723-N725 PolarHBondContact O-N 3.33Å; N725-A729 WeakPolarHBondContact O-CB 3.33Å; N725-A729 PolarHBondContact O-N 3.35Å |
| 726 | V | 64.3 | Low | 67.2 | Low | 94 Ų | 94 | 104.1 Ų | 104.1 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -66.8 | -41.8 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | R722 N723 A729 A730 | R722-V726 WeakPolarHBondContact O-CG2 3.48Å; R722-V726 PolarHBondContact O-N 3.44Å; N723-V726 PolarHBondContact O-N 2.91Å; V726-A729 PolarHBondContact O-N 2.84Å; V726-A730 WeakPolarHBondContact O-CB 3.44Å; V726-A730 PolarHBondContact O-N 3Å |
| 727 | A | 59.4 | Low | 67.7 | Low | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.3 | -44.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | N723 N724 A730 A731 | N723-A727 WeakPolarHBondContact O-CB 3.46Å; N723-A727 PolarHBondContact O-N 3.13Å; N724-A727 PolarHBondContact O-N 3.33Å; A727-A730 PolarHBondContact O-N 3.47Å; A727-A731 WeakPolarHBondContact O-CB 3.24Å; A727-A731 PolarHBondContact O-N 3.01Å |
| 728 | N | 64.9 | Low | 68.4 | Low | 111 Ų | 111 | 106 Ų | 106 | 59% | 0.594 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.1 | -40.9 | 175 | -74 | -22.2 | 0 | 0 | 0 | 112.2 | N724 A731 L732 | N724-N728 WeakPolarHBondContact O-CB 3.42Å; N724-N728 VanDerWaalsContact O-CG 3.27Å; N724-N728 PolarHBondContact O-N 3.45Å; N724-N728 PolarHBondContact O-ND2 2.71Å; N728-A731 PolarHBondContact O-N 2.98Å; N728-L732 WeakPolarHBondContact O-CB 3.47Å; N728-L732 PolarHBondContact O-N 3.47Å |
| 729 | A | 58.2 | Low | 68.8 | Low | 55 Ų | 55 | 104.8 Ų | 104.8 | 46% | 0.455 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112 | N725 V726 L732 V733 | N725-A729 WeakPolarHBondContact O-CB 3.33Å; N725-A729 PolarHBondContact O-N 3.35Å; V726-A729 PolarHBondContact O-N 2.84Å; A729-L732 PolarHBondContact O-N 3.26Å; A729-V733 WeakPolarHBondContact O-CG2 3.46Å; A729-V733 PolarHBondContact O-N 2.97Å |
| 730 | A | 64.3 | Low | 69.2 | Low | 58 Ų | 58 | 105.8 Ų | 105.8 | 48% | 0.479 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.4 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V726 A727 L732 V733 L734 | V726-A730 WeakPolarHBondContact O-CB 3.44Å; V726-A730 PolarHBondContact O-N 3Å; A727-A730 PolarHBondContact O-N 3.47Å; A730-L732 VanDerWaalsContact C-N 3.33Å; A730-L732 PolarHBondContact O-N 2.97Å; A730-V733 PolarHBondContact O-N 3.28Å; A730-L734 WeakPolarHBondContact O-CB 3.47Å; A730-L734 PolarHBondContact O-N 3.04Å |
| 731 | A | 66.9 | Low | 69.6 | Low | 58 Ų | 58 | 106.5 Ų | 106.5 | 48% | 0.479 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.3 | -36.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | A727 N728 R735 | A727-A731 WeakPolarHBondContact O-CB 3.24Å; A727-A731 PolarHBondContact O-N 3.01Å; N728-A731 PolarHBondContact O-N 2.98Å; A731-R735 WeakPolarHBondContact O-CB 3.39Å; A731-R735 PolarHBondContact O-N 3.23Å |
| 732 | L | 71.4 | Confident | 70.3 | Confident | 115 Ų | 115 | 107.1 Ų | 107.1 | 60% | 0.602 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -69.2 | -42.4 | 176.5 | -163.5 | 157.5 | 0 | 0 | 0 | 111.5 | N728 A729 A730 R735 Q736 | N728-L732 WeakPolarHBondContact O-CB 3.47Å; N728-L732 PolarHBondContact O-N 3.47Å; A729-L732 PolarHBondContact O-N 3.26Å; A730-L732 VanDerWaalsContact C-N 3.33Å; A730-L732 PolarHBondContact O-N 2.97Å; L732-R735 PolarHBondContact O-N 3.15Å; L732-Q736 WeakPolarHBondContact O-CB 3.45Å; L732-Q736 PolarHBondContact O-N 3.12Å |
| 733 | V | 72.6 | Confident | 71 | Confident | 91 Ų | 91 | 101 Ų | 101 | 55% | 0.552 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.5 | -44.7 | 174.4 | 171.8 | 0 | 0 | 0 | 0 | 111.4 | A729 A730 R735 Q736 Q737 | A729-V733 WeakPolarHBondContact O-CG2 3.46Å; A729-V733 PolarHBondContact O-N 2.97Å; A730-V733 PolarHBondContact O-N 3.28Å; V733-R735 VanDerWaalsContact C-N 3.31Å; V733-R735 PolarHBondContact O-N 2.91Å; V733-Q736 PolarHBondContact O-N 3.43Å; V733-Q737 PolarHBondContact O-N 3.11Å |
| 734 | L | 76 | Confident | 71.8 | Confident | 114 Ų | 114 | 100.7 Ų | 100.7 | 60% | 0.597 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -59.1 | -43.5 | 176.5 | -168.6 | 79 | 0 | 0 | 0 | 111.3 | A730 Q737 Q738 | A730-L734 WeakPolarHBondContact O-CB 3.47Å; A730-L734 PolarHBondContact O-N 3.04Å; L734-Q737 PolarHBondContact O-N 3.23Å; L734-Q738 PolarHBondContact O-N 3.05Å |
| 735 | R | 75.1 | Confident | 72.4 | Confident | 158 Ų | 158 | 98.9 Ų | 98.9 | 60% | 0.596 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -64.6 | -42.9 | 176.7 | -177.3 | 176.6 | 177.2 | 153.9 | 3.8 | 112.5 | A731 L732 V733 Q737 Q738 E739 | A731-R735 WeakPolarHBondContact O-CB 3.39Å; A731-R735 PolarHBondContact O-N 3.23Å; L732-R735 PolarHBondContact O-N 3.15Å; V733-R735 VanDerWaalsContact C-N 3.31Å; V733-R735 PolarHBondContact O-N 2.91Å; R735-Q737 VanDerWaalsContact C-N 3.31Å; R735-Q737 PolarHBondContact O-N 3.47Å; R735-Q738 PolarHBondContact O-N 3.33Å; R735-E739 WeakPolarHBondContact CG-OE1 3.3Å; R735-E739 IonicContact CZ-OE1 3.55Å; R735-E739 IonicContact NE-OE1 3.67Å; R735-E739 PolarHBondContact NE-OE1 3.07Å; R735-E739 IonicContact NH2-OE1 2.65Å; R735-E739 WeakPolarHBondContact O-CG 3.32Å; R735-E739 PolarHBondContact O-N 3.21Å |
| 736 | Q | 79.1 | Confident | 73.1 | Confident | 129 Ų | 129 | 96.7 Ų | 96.7 | 60% | 0.603 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | 175.4 | -178.4 | 175.2 | 80.5 | 0 | 0 | 111.7 | L732 V733 E739 Q740 | L732-Q736 WeakPolarHBondContact O-CB 3.45Å; L732-Q736 PolarHBondContact O-N 3.12Å; V733-Q736 PolarHBondContact O-N 3.43Å; Q736-E739 PolarHBondContact O-N 3.3Å; Q736-Q740 WeakPolarHBondContact O-CB 3.36Å; Q736-Q740 PolarHBondContact O-N 3.49Å |
| 737 | Q | 78.7 | Confident | 74 | Confident | 103 Ų | 103 | 97.1 Ų | 97.1 | 48% | 0.481 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.2 | -42 | 174.3 | -171.5 | -179.2 | 47.3 | 0 | 0 | 111.7 | V733 L734 R735 Q740 Q741 | V733-Q737 PolarHBondContact O-N 3.11Å; L734-Q737 PolarHBondContact O-N 3.23Å; R735-Q737 VanDerWaalsContact C-N 3.31Å; R735-Q737 PolarHBondContact O-N 3.47Å; Q737-Q740 PolarHBondContact O-N 3.44Å; Q737-Q741 WeakPolarHBondContact O-CG 3.38Å; Q737-Q741 PolarHBondContact O-N 3.46Å |
| 738 | Q | 80.3 | Confident | 75.1 | Confident | 134 Ų | 134 | 101.2 Ų | 101.2 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.8 | -44.5 | 176.3 | -171 | -179.5 | 19.1 | 0 | 0 | 112.1 | L734 R735 Q740 Q741 L742 | L734-Q738 PolarHBondContact O-N 3.05Å; R735-Q738 PolarHBondContact O-N 3.33Å; Q738-Q740 VanDerWaalsContact C-N 3.31Å; Q738-Q740 PolarHBondContact O-N 2.89Å; Q738-Q741 PolarHBondContact O-N 2.97Å; Q738-L742 WeakPolarHBondContact O-CB 3.37Å; Q738-L742 PolarHBondContact O-N 3.37Å |
| 739 | E | 79 | Confident | 75.9 | Confident | 105 Ų | 105 | 98.2 Ų | 98.2 | 49% | 0.491 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -36.1 | 176.4 | -72 | 172.1 | -170.8 | 0 | 0 | 111.2 | R735 Q736 L742 A743 | R735-E739 WeakPolarHBondContact CG-OE1 3.3Å; R735-E739 IonicContact CZ-OE1 3.55Å; R735-E739 IonicContact NE-OE1 3.67Å; R735-E739 PolarHBondContact NE-OE1 3.07Å; R735-E739 IonicContact NH2-OE1 2.65Å; R735-E739 WeakPolarHBondContact O-CG 3.32Å; R735-E739 PolarHBondContact O-N 3.21Å; Q736-E739 PolarHBondContact O-N 3.3Å; E739-L742 PolarHBondContact O-N 2.88Å; E739-A743 PolarHBondContact O-N 2.94Å |
| 740 | Q | 77.9 | Confident | 77.2 | Confident | 138 Ų | 138 | 101.8 Ų | 101.8 | 65% | 0.645 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -69.4 | -40.2 | 174.3 | -168.3 | 174.6 | 51.3 | 0 | 0 | 113 | Q736 Q737 Q738 A743 V744 | Q736-Q740 WeakPolarHBondContact O-CB 3.36Å; Q736-Q740 PolarHBondContact O-N 3.49Å; Q737-Q740 PolarHBondContact O-N 3.44Å; Q738-Q740 VanDerWaalsContact C-N 3.31Å; Q738-Q740 PolarHBondContact O-N 2.89Å; Q740-A743 PolarHBondContact O-N 3.33Å; Q740-V744 WeakPolarHBondContact O-CG2 3.4Å; Q740-V744 PolarHBondContact O-N 3Å; Q740-V744 VanDerWaalsContact O-N 3.11Å |
| 741 | Q | 75.4 | Confident | 78 | Confident | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.2 | -41.5 | 173.8 | -73.8 | 178.1 | 5.3 | 0 | 0 | 111.7 | Q737 Q738 A743 V744 A745 | Q737-Q741 WeakPolarHBondContact O-CG 3.38Å; Q737-Q741 PolarHBondContact O-N 3.46Å; Q738-Q741 PolarHBondContact O-N 2.97Å; Q741-A743 VanDerWaalsContact C-N 3.33Å; Q741-A743 PolarHBondContact O-N 3.45Å; Q741-V744 PolarHBondContact O-N 2.88Å; Q741-A745 WeakPolarHBondContact O-CB 3.46Å; Q741-A745 PolarHBondContact O-N 2.92Å |
| 742 | L | 78.9 | Confident | 78.7 | Confident | 126 Ų | 126 | 108.4 Ų | 108.4 | 66% | 0.66 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.1 | -37.2 | 176.8 | -168.6 | 68.1 | 0 | 0 | 0 | 112.1 | Q738 E739 S746 | Q738-L742 WeakPolarHBondContact O-CB 3.37Å; Q738-L742 PolarHBondContact O-N 3.37Å; E739-L742 PolarHBondContact O-N 2.88Å; L742-S746 WeakPolarHBondContact O-CB 3.43Å; L742-S746 PolarHBondContact O-N 3.34Å; L742-S746 PolarHBondContact O-OG 3.33Å; L742-S746 VanDerWaalsContact O-OG 3.05Å |
| 743 | A | 75.7 | Confident | 79.4 | Confident | 54 Ų | 54 | 107.5 Ų | 107.5 | 45% | 0.446 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -62.9 | -44.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | E739 Q740 Q741 S746 L747 | E739-A743 PolarHBondContact O-N 2.94Å; Q740-A743 PolarHBondContact O-N 3.33Å; Q741-A743 VanDerWaalsContact C-N 3.33Å; Q741-A743 PolarHBondContact O-N 3.45Å; A743-S746 PolarHBondContact O-OG 3.03Å; A743-L747 PolarHBondContact O-N 3.5Å; A743-L747 VanDerWaalsContact O-N 3.12Å |
| 744 | V | 81.1 | Confident | 79.8 | Confident | 92 Ų | 92 | 105 Ų | 105 | 56% | 0.558 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65.1 | -44.6 | 176.8 | 174.1 | 0 | 0 | 0 | 0 | 111.4 | Q740 Q741 S746 L747 Q748 | Q740-V744 WeakPolarHBondContact O-CG2 3.4Å; Q740-V744 PolarHBondContact O-N 3Å; Q740-V744 VanDerWaalsContact O-N 3.11Å; Q741-V744 PolarHBondContact O-N 2.88Å; V744-S746 PolarHBondContact O-N 3.05Å; V744-L747 PolarHBondContact O-N 3.39Å; V744-Q748 PolarHBondContact O-N 2.93Å |
| 745 | A | 76.5 | Confident | 80.1 | Confident | 53 Ų | 53 | 101.8 Ų | 101.8 | 44% | 0.438 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.1 | -42.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q741 Q748 A749 | Q741-A745 WeakPolarHBondContact O-CB 3.46Å; Q741-A745 PolarHBondContact O-N 2.92Å; A745-Q748 PolarHBondContact O-N 3.41Å; A745-A749 WeakPolarHBondContact O-CB 3.48Å; A745-A749 PolarHBondContact O-N 3.25Å |
| 746 | S | 79.7 | Confident | 80.5 | Confident | 61 Ų | 61 | 97.4 Ų | 97.4 | 43% | 0.427 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 177 | 60 | 0 | 0 | 0 | 0 | 112.8 | L742 A743 V744 A749 Q750 | L742-S746 WeakPolarHBondContact O-CB 3.43Å; L742-S746 PolarHBondContact O-N 3.34Å; L742-S746 PolarHBondContact O-OG 3.33Å; L742-S746 VanDerWaalsContact O-OG 3.05Å; A743-S746 PolarHBondContact O-OG 3.03Å; V744-S746 PolarHBondContact O-N 3.05Å; S746-A749 PolarHBondContact O-N 2.9Å; S746-Q750 WeakPolarHBondContact O-CG 3.29Å; S746-Q750 PolarHBondContact O-N 3.07Å |
| 747 | L | 82.9 | Confident | 80.6 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 54% | 0.539 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 173.3 | -165.1 | 76.1 | 0 | 0 | 0 | 111.9 | A743 V744 Q750 N751 | A743-L747 PolarHBondContact O-N 3.5Å; A743-L747 VanDerWaalsContact O-N 3.12Å; V744-L747 PolarHBondContact O-N 3.39Å; L747-Q750 PolarHBondContact O-N 2.91Å; L747-N751 PolarHBondContact O-N 2.97Å; L747-N751 PolarHBondContact O-ND2 3.43Å |
| 748 | Q | 82.5 | Confident | 80.5 | Confident | 142 Ų | 142 | 101.1 Ų | 101.1 | 66% | 0.664 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.1 | -42.1 | 174.8 | -174.8 | 174.8 | -7.1 | 0 | 0 | 111.6 | V744 A745 N751 Y752 | V744-Q748 PolarHBondContact O-N 2.93Å; A745-Q748 PolarHBondContact O-N 3.41Å; Q748-N751 PolarHBondContact O-N 3.45Å; Q748-Y752 PolarHBondContact O-N 3.39Å |
| 749 | A | 81.5 | Confident | 80.2 | Confident | 49 Ų | 49 | 101.1 Ų | 101.1 | 41% | 0.405 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | A745 S746 N751 Y752 I753 | A745-A749 WeakPolarHBondContact O-CB 3.48Å; A745-A749 PolarHBondContact O-N 3.25Å; S746-A749 PolarHBondContact O-N 2.9Å; A749-N751 PolarHBondContact O-N 3.37Å; A749-Y752 PolarHBondContact O-N 2.99Å; A749-I753 WeakPolarHBondContact O-CG1 3.37Å; A749-I753 PolarHBondContact O-N 3.36Å |
| 750 | Q | 85.4 | Confident | 79.9 | Confident | 130 Ų | 130 | 101.5 Ų | 101.5 | 61% | 0.607 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.8 | -44.3 | 175 | -74.5 | -178.2 | 8.1 | 0 | 0 | 112.1 | S746 L747 Y752 I753 A754 | S746-Q750 WeakPolarHBondContact O-CG 3.29Å; S746-Q750 PolarHBondContact O-N 3.07Å; L747-Q750 PolarHBondContact O-N 2.91Å; Q750-Y752 VanDerWaalsContact C-N 3.33Å; Q750-Y752 PolarHBondContact O-N 3.15Å; Q750-I753 PolarHBondContact O-N 3.3Å; Q750-A754 WeakPolarHBondContact O-CB 3.5Å; Q750-A754 PolarHBondContact O-N 3.08Å |
| 751 | N | 81.9 | Confident | 79.7 | Confident | 103 Ų | 103 | 99.3 Ų | 99.3 | 55% | 0.551 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -38.3 | 176.4 | -77 | -45.5 | 0 | 0 | 0 | 112.5 | L747 Q748 A749 A754 A755 | L747-N751 PolarHBondContact O-N 2.97Å; L747-N751 PolarHBondContact O-ND2 3.43Å; Q748-N751 PolarHBondContact O-N 3.45Å; A749-N751 PolarHBondContact O-N 3.37Å; N751-A754 PolarHBondContact O-N 2.96Å; N751-A755 WeakPolarHBondContact O-CB 3.4Å; N751-A755 PolarHBondContact O-N 3.31Å |
| 752 | Y | 81.7 | Confident | 79.4 | Confident | 152 Ų | 152 | 99 Ų | 99 | 60% | 0.596 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67 | -43.8 | 176.3 | -175.8 | -107.9 | 0 | 0 | 0 | 112.4 | Q748 A749 Q750 A754 A755 L756 | Q748-Y752 PolarHBondContact O-N 3.39Å; A749-Y752 PolarHBondContact O-N 2.99Å; Q750-Y752 VanDerWaalsContact C-N 3.33Å; Q750-Y752 PolarHBondContact O-N 3.15Å; Y752-A754 VanDerWaalsContact C-N 3.35Å; Y752-A754 PolarHBondContact O-N 2.87Å; Y752-A755 WeakPolarHBondContact O-CB 3.46Å; Y752-A755 PolarHBondContact O-N 3.06Å; Y752-L756 HydrophobicContact CD1-CD1 4Å; Y752-L756 HydrophobicContact CE1-CD1 3.5Å; Y752-L756 HydrophobicContact CE1-CG 4.2Å; Y752-L756 PolarHBondContact O-N 3.48Å |
| 753 | I | 85 | Confident | 78.5 | Confident | 96 Ų | 96 | 96.7 Ų | 96.7 | 49% | 0.492 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.9 | -43 | 175.2 | -67.3 | 164.9 | 0 | 0 | 0 | 110.7 | A749 Q750 A755 L756 Q757 | A749-I753 WeakPolarHBondContact O-CG1 3.37Å; A749-I753 PolarHBondContact O-N 3.36Å; Q750-I753 PolarHBondContact O-N 3.3Å; I753-A755 VanDerWaalsContact C-N 3.32Å; I753-A755 PolarHBondContact O-N 2.82Å; I753-L756 PolarHBondContact O-N 3.13Å; I753-Q757 WeakPolarHBondContact O-CG 3.5Å; I753-Q757 PolarHBondContact O-N 2.82Å |
| 754 | A | 81.9 | Confident | 77.6 | Confident | 38 Ų | 38 | 102.1 Ų | 102.1 | 31% | 0.314 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.8 | -33.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q750 N751 Y752 R758 | Q750-A754 WeakPolarHBondContact O-CB 3.5Å; Q750-A754 PolarHBondContact O-N 3.08Å; N751-A754 PolarHBondContact O-N 2.96Å; Y752-A754 VanDerWaalsContact C-N 3.35Å; Y752-A754 PolarHBondContact O-N 2.87Å; A754-R758 WeakPolarHBondContact O-CG 3.35Å; A754-R758 PolarHBondContact O-N 3.41Å; A754-R758 VanDerWaalsContact O-N 3.15Å |
| 755 | A | 81.6 | Confident | 76.1 | Confident | 47 Ų | 47 | 106.2 Ų | 106.2 | 39% | 0.388 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -68.7 | -44.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | N751 Y752 I753 R758 Q759 | N751-A755 WeakPolarHBondContact O-CB 3.4Å; N751-A755 PolarHBondContact O-N 3.31Å; Y752-A755 WeakPolarHBondContact O-CB 3.46Å; Y752-A755 PolarHBondContact O-N 3.06Å; I753-A755 VanDerWaalsContact C-N 3.32Å; I753-A755 PolarHBondContact O-N 2.82Å; A755-R758 PolarHBondContact O-N 2.99Å; A755-Q759 PolarHBondContact O-N 3.37Å |
| 756 | L | 84.1 | Confident | 76.1 | Confident | 65 Ų | 65 | 108.9 Ų | 108.9 | 34% | 0.34 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -61.7 | -43.2 | 174.7 | -74.3 | 175.5 | 0 | 0 | 0 | 112.1 | Y752 I753 R758 Q759 L760 | Y752-L756 HydrophobicContact CD1-CD1 4Å; Y752-L756 HydrophobicContact CE1-CD1 3.5Å; Y752-L756 HydrophobicContact CE1-CG 4.2Å; Y752-L756 PolarHBondContact O-N 3.48Å; I753-L756 PolarHBondContact O-N 3.13Å; L756-R758 VanDerWaalsContact C-N 3.31Å; L756-R758 PolarHBondContact O-N 3.44Å; L756-Q759 PolarHBondContact O-N 3.45Å; L756-L760 WeakPolarHBondContact O-CG 3.28Å; L756-L760 PolarHBondContact O-N 3.19Å |
| 757 | Q | 80.7 | Confident | 75.9 | Confident | 125 Ų | 125 | 111.4 Ų | 111.4 | 58% | 0.584 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -58.6 | -42.6 | 174.8 | -76.6 | -179.4 | -18.1 | 0 | 0 | 111.8 | I753 L760 T761 | I753-Q757 WeakPolarHBondContact O-CG 3.5Å; I753-Q757 PolarHBondContact O-N 2.82Å; Q757-L760 PolarHBondContact O-N 2.74Å; Q757-T761 PolarHBondContact O-N 3.21Å; Q757-T761 PolarHBondContact O-OG1 3.01Å |
| 758 | R | 77.6 | Confident | 75.5 | Confident | 185 Ų | 185 | 111.8 Ų | 111.8 | 70% | 0.698 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -65.2 | -37.7 | 175.6 | -74.8 | 175.8 | 178.8 | -179.7 | 1.3 | 113.2 | A754 A755 L756 T761 N762 | A754-R758 WeakPolarHBondContact O-CG 3.35Å; A754-R758 PolarHBondContact O-N 3.41Å; A754-R758 VanDerWaalsContact O-N 3.15Å; A755-R758 PolarHBondContact O-N 2.99Å; L756-R758 VanDerWaalsContact C-N 3.31Å; L756-R758 PolarHBondContact O-N 3.44Å; R758-T761 WeakPolarHBondContact CA-OG1 3.47Å; R758-T761 PolarHBondContact O-OG1 3.38Å; R758-T761 VanDerWaalsContact O-OG1 3.05Å; R758-N762 VanDerWaalsContact O-CB 3.31Å; R758-N762 WeakPolarHBondContact O-CB 3.4Å; R758-N762 PolarHBondContact O-N 2.94Å; R758-N762 VanDerWaalsContact O-N 3.09Å; R758-N762 PolarHBondContact O-ND2 3.2Å; R758-N762 PolarHBondContact O-OD1 3.38Å |
| 759 | Q | 74.1 | Confident | 75.1 | Confident | 135 Ų | 135 | 110.1 Ų | 110.1 | 63% | 0.631 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.6 | -44.5 | 174.7 | -74.9 | -176.6 | -36.4 | 0 | 0 | 111.3 | A755 L756 N762 S763 | A755-Q759 PolarHBondContact O-N 3.37Å; L756-Q759 PolarHBondContact O-N 3.45Å; Q759-N762 PolarHBondContact O-N 3.34Å; Q759-S763 PolarHBondContact O-N 2.8Å; Q759-S763 PolarHBondContact O-OG 3.18Å |
| 760 | L | 72.6 | Confident | 74.6 | Confident | 113 Ų | 113 | 113.9 Ų | 113.9 | 59% | 0.592 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66 | -35.8 | 178.7 | -71.4 | 166.6 | 0 | 0 | 0 | 113.4 | L756 Q757 S763 | L756-L760 WeakPolarHBondContact O-CG 3.28Å; L756-L760 PolarHBondContact O-N 3.19Å; Q757-L760 PolarHBondContact O-N 2.74Å; L760-S763 PolarHBondContact O-OG 3.34Å; L760-S763 VanDerWaalsContact O-OG 3.11Å |
| 761 | T | 72.6 | Confident | 73.9 | Confident | 91 Ų | 91 | 112.8 Ų | 112.8 | 56% | 0.558 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -70.9 | -34.6 | 173.2 | 51.8 | 0 | 0 | 0 | 0 | 112.4 | Q757 R758 S763 | Q757-T761 PolarHBondContact O-N 3.21Å; Q757-T761 PolarHBondContact O-OG1 3.01Å; R758-T761 WeakPolarHBondContact CA-OG1 3.47Å; R758-T761 PolarHBondContact O-OG1 3.38Å; R758-T761 VanDerWaalsContact O-OG1 3.05Å; T761-S763 VanDerWaalsContact C-N 3.32Å |
| 762 | N | 68.8 | Low | 73.4 | Confident | 118 Ų | 118 | 113.5 Ų | 113.5 | 63% | 0.631 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -79.1 | -13 | 179.9 | -67 | 3.8 | 0 | 0 | 0 | 113.3 | R758 Q759 | R758-N762 VanDerWaalsContact O-CB 3.31Å; R758-N762 WeakPolarHBondContact O-CB 3.4Å; R758-N762 PolarHBondContact O-N 2.94Å; R758-N762 VanDerWaalsContact O-N 3.09Å; R758-N762 PolarHBondContact O-ND2 3.2Å; R758-N762 PolarHBondContact O-OD1 3.38Å; Q759-N762 PolarHBondContact O-N 3.34Å |
| 763 | S | 59.9 | Low | 72.7 | Confident | 78 Ų | 78 | 110.5 Ų | 110.5 | 55% | 0.545 | 59% | 0.588 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | 6.7 | 175.8 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | Q759 L760 T761 | Q759-S763 PolarHBondContact O-N 2.8Å; Q759-S763 PolarHBondContact O-OG 3.18Å; L760-S763 PolarHBondContact O-OG 3.34Å; L760-S763 VanDerWaalsContact O-OG 3.11Å; T761-S763 VanDerWaalsContact C-N 3.32Å |
| 764 | H | 57.3 | Low | 71.7 | Confident | 169 Ų | 169 | 111.8 Ų | 111.8 | 78% | 0.782 | 60% | 0.596 | S | S | * | * | trans | -120.4 | 17.3 | 179.9 | -90.4 | -65 | 0 | 0 | 0 | 113.7 | ||||
| 765 | T | 49.3 | Very low | 70.8 | Confident | 177 Ų | 177 | 118.5 Ų | 118.5 | 100% | 1.086 | 62% | 0.621 | S | S | * | * | trans | -124.7 | 0 | 171.8 | 56.9 | 0 | 0 | 0 | 0 | 110.2 |
Retrieved 765 of 765 residues in 518.1 ms
(Link to these results)