| 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 | 49.3 | Very low | 33.2 | Very low | 225 Ų | 225 | 157.4 Ų | 157.4 | 100% | 1.108 | 78% | 0.782 | S | S | * | * | 0 | 105.1 | 0 | -64.6 | 175.2 | -178.4 | 0 | 0 | 107.1 | |||||
| 2 | D | 29.6 | Very low | 32.7 | Very low | 136 Ų | 136 | 149.6 Ų | 149.6 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | 57.3 | 118.4 | 15.7 | -30.9 | -66.2 | 0 | 0 | 0 | 111.3 | ||||
| 3 | Y | 33.2 | Very low | 32.4 | Very low | 208 Ų | 208 | 148.9 Ų | 148.9 | 82% | 0.816 | 77% | 0.771 | S | S | * | * | cis | -122.5 | 146.6 | 23.4 | -91 | -114.3 | 0 | 0 | 0 | 111 | ||||
| 4 | E | 33 | Very low | 32.4 | Very low | 124 Ų | 124 | 153.8 Ų | 153.8 | 58% | 0.579 | 77% | 0.774 | S | S | * | * | 57.1 | 108.4 | 67.4 | -77.5 | -140.8 | 122.6 | 0 | 0 | 113.7 | |||||
| 5 | R | 32.6 | Very low | 32.2 | Very low | 197 Ų | 197 | 154.2 Ų | 154.2 | 74% | 0.743 | 78% | 0.777 | S | S | * | * | 79.6 | 105.8 | 72.4 | -178.3 | -164.9 | -162.4 | 178.8 | 6.6 | 112.9 | |||||
| 6 | S | 33.5 | Very low | 32 | Very low | 109 Ų | 109 | 148.8 Ų | 148.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -150.2 | 132.8 | 149.1 | -87.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 7 | I | 32.4 | Very low | 31.8 | Very low | 109 Ų | 109 | 154.4 Ų | 154.4 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | 74.7 | 125.1 | 52.5 | -64.6 | -72.6 | 0 | 0 | 0 | 109.4 | |||||
| 8 | R | 31.1 | Very low | 31.7 | Very low | 219 Ų | 219 | 158.6 Ų | 158.6 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | cis | -151.4 | -174.6 | 0.1 | -106.4 | 165.7 | -154.1 | 150.4 | 5.9 | 106.5 | ||||
| 9 | G | 27.9 | Very low | 31.6 | Very low | 75 Ų | 75 | 154 Ų | 154 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | cis | 104.9 | 97.3 | 13.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 10 | G | 27.6 | Very low | 31.3 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | 158.1 | 137.5 | 178.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 11 | R | 35 | Very low | 31.2 | Very low | 257 Ų | 257 | 150.2 Ų | 150.2 | 97% | 0.97 | 79% | 0.787 | S | S | * | * | cis | 63.7 | 129.4 | 8.1 | -70.7 | -171.8 | 176 | -178.6 | -0.5 | 116.6 | ||||
| 12 | G | 27.4 | Very low | 30.2 | Very low | 64 Ų | 64 | 146.7 Ų | 146.7 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | 84.7 | 141.1 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 13 | D | 28.5 | Very low | 30.2 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | cis | -151.1 | 150.4 | -10.3 | -94.4 | -68.5 | 0 | 0 | 0 | 106.9 | ||||
| 14 | R | 32.1 | Very low | 30.1 | Very low | 217 Ų | 217 | 142.3 Ų | 142.3 | 82% | 0.819 | 76% | 0.758 | S | S | * | * | 69.9 | 138.3 | 64.7 | -140.2 | -178.3 | -165.1 | -173.2 | 4.3 | 112.9 | |||||
| 15 | I | 30.3 | Very low | 30.2 | Very low | 160 Ų | 160 | 145 Ų | 145 | 82% | 0.821 | 77% | 0.77 | S | S | * | * | trans | 70.4 | 132.8 | -165.2 | -64.1 | 72.1 | 0 | 0 | 0 | 111.7 | ||||
| 16 | G | 28.8 | Very low | 30.2 | Very low | 67 Ų | 67 | 141.9 Ų | 141.9 | 69% | 0.691 | 77% | 0.768 | S | S | * | * | cis | 123.6 | 114.4 | -4.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 17 | R | 28.6 | Very low | 30.1 | Very low | 244 Ų | 244 | 144.8 Ų | 144.8 | 92% | 0.921 | 77% | 0.767 | S | S | * | * | trans | -150.5 | 133.5 | 166.1 | -168.4 | 164.5 | -70.4 | -144.4 | -0.3 | 111.1 | ||||
| 18 | Y | 30 | Very low | 30.2 | Very low | 230 Ų | 230 | 148.5 Ų | 148.5 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -89.5 | 165.3 | -176.6 | -87.8 | -106.2 | 0 | 0 | 0 | 113 | ||||
| 19 | G | 30.1 | Very low | 30.4 | Very low | 72 Ų | 72 | 145.2 Ų | 145.2 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | trans | 140.4 | 74.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 20 | S | 24.7 | Very low | 30.6 | Very low | 107 Ų | 107 | 149.7 Ų | 149.7 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | cis | 68.2 | 88.1 | 35.5 | -166.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 21 | S | 29 | Very low | 30.9 | Very low | 122 Ų | 122 | 153.5 Ų | 153.5 | 85% | 0.853 | 78% | 0.779 | S | S | * | * | trans | -137.3 | 130.3 | 148.9 | -166.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 22 | H | 29.9 | Very low | 30.7 | Very low | 150 Ų | 150 | 152.1 Ų | 152.1 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -70.6 | 147.5 | 177.1 | -99.7 | -85.6 | 0 | 0 | 0 | 110.5 | D24 | H22-D24 IonicContact CE1-OD2 3.1Å; H22-D24 PolarHBondContact CE1-OD2 3.27Å; H22-D24 IonicContact ND1-OD2 2.79Å; H22-D24 PolarHBondContact ND1-OD2 3.41Å | ||
| 23 | N | 27.8 | Very low | 31 | Very low | 151 Ų | 151 | 159.7 Ų | 159.7 | 81% | 0.807 | 78% | 0.784 | S | S | * | * | -154.5 | 121.2 | 104.2 | -145.6 | 28.5 | 0 | 0 | 0 | 110.8 | |||||
| 24 | D | 32.5 | Very low | 31.1 | Very low | 101 Ų | 101 | 157.1 Ų | 157.1 | 54% | 0.54 | 78% | 0.782 | S | S | . | * | trans | -86.7 | 145.8 | 168.6 | -68.7 | -87.5 | 0 | 0 | 0 | 109.5 | H22 | H22-D24 IonicContact CE1-OD2 3.1Å; H22-D24 PolarHBondContact CE1-OD2 3.27Å; H22-D24 IonicContact ND1-OD2 2.79Å; H22-D24 PolarHBondContact ND1-OD2 3.41Å | ||
| 25 | H | 33.4 | Very low | 31.1 | Very low | 182 Ų | 182 | 157.9 Ų | 157.9 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | -156.9 | 78.5 | 136.1 | -89.5 | -42.9 | 0 | 0 | 0 | 110.7 | F27 | H25-F27 PolarHBondContact O-N 3.49Š| ||
| 26 | N | 33.8 | Very low | 31.1 | Very low | 131 Ų | 131 | 153.8 Ų | 153.8 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | -34.1 | 125.6 | 155.5 | 168.5 | 12.4 | 0 | 0 | 0 | 113.3 | R28 | N26-R28 PolarHBondContact OD1-N 3.33Š| ||
| 27 | F | 31.2 | Very low | 31.1 | Very low | 170 Ų | 170 | 159.5 Ų | 159.5 | 75% | 0.746 | 79% | 0.793 | S | S | * | * | trans | -148.5 | 90.9 | 152.6 | -114.4 | -78 | 0 | 0 | 0 | 113.5 | H25 | H25-F27 PolarHBondContact O-N 3.49Š| ||
| 28 | R | 34 | Very low | 31.3 | Very low | 186 Ų | 186 | 156.1 Ų | 156.1 | 70% | 0.702 | 79% | 0.788 | S | S | * | * | trans | 54.6 | 130.3 | 142.4 | -70.6 | -175.2 | 165 | 80.4 | 1.3 | 121.7 | N26 | N26-R28 PolarHBondContact OD1-N 3.33Š| ||
| 29 | D | 36.7 | Very low | 31.3 | Very low | 150 Ų | 150 | 151.8 Ų | 151.8 | 80% | 0.802 | 78% | 0.78 | S | S | * | * | trans | -52.9 | 151.5 | 150.8 | -46.3 | -87.5 | 0 | 0 | 0 | 112.6 | ||||
| 30 | M | 30.9 | Very low | 31.5 | Very low | 170 Ų | 170 | 157 Ų | 157 | 84% | 0.837 | 79% | 0.785 | S | S | * | * | trans | -138.7 | 86 | 169.5 | -118.8 | -64.4 | -168.3 | 0 | 0 | 109.3 | Y32 | M30-Y32 PolarHBondContact O-N 2.92Š| ||
| 31 | D | 34.8 | Very low | 31.8 | Very low | 151 Ų | 151 | 161.1 Ų | 161.1 | 81% | 0.807 | 79% | 0.793 | S | S | * | * | trans | -67.2 | 95.8 | 174.9 | -78.5 | -50 | 0 | 0 | 0 | 110.5 | R33 | D31-R33 PolarHBondContact O-N 3.14Š| ||
| 32 | Y | 31.2 | Very low | 31.8 | Very low | 228 Ų | 228 | 158.6 Ų | 158.6 | 89% | 0.894 | 79% | 0.785 | S | S | * | * | trans | -77.9 | 74 | 176.8 | -148.9 | -88.9 | 0 | 0 | 0 | 111.7 | M30 | M30-Y32 PolarHBondContact O-N 2.92Š| ||
| 33 | R | 32.2 | Very low | 31.8 | Very low | 223 Ų | 223 | 157.6 Ų | 157.6 | 84% | 0.842 | 79% | 0.79 | S | S | * | * | trans | -94.1 | 134.6 | 177.3 | -165.2 | 177 | -168 | 164.2 | 4.4 | 110.9 | D31 | D31-R33 PolarHBondContact O-N 3.14Š| ||
| 34 | A | 32 | Very low | 31.9 | Very low | 87 Ų | 87 | 158.2 Ų | 158.2 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | -68.4 | 137.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 35 | Y | 30.7 | Very low | 31.7 | Very low | 234 Ų | 234 | 161.6 Ų | 161.6 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -143.9 | 154.4 | 145 | -73.5 | -83.1 | 0 | 0 | 0 | 105.4 | ||||
| 36 | G | 30.2 | Very low | 31.6 | Very low | 74 Ų | 74 | 159.9 Ų | 159.9 | 76% | 0.763 | 80% | 0.802 | S | S | * | * | cis | 175.4 | 150 | -2.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 37 | Q | 30.5 | Very low | 31.4 | Very low | 186 Ų | 186 | 163 Ų | 163 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | -137.4 | 145.3 | -177.9 | -176.2 | 173.5 | 15.6 | 0 | 0 | 108.5 | ||||
| 38 | E | 31.4 | Very low | 31.4 | Very low | 173 Ų | 173 | 161.9 Ų | 161.9 | 81% | 0.808 | 80% | 0.803 | S | S | * | * | trans | 111.9 | 122.3 | -155.9 | -72.3 | 155.7 | -159.1 | 0 | 0 | 107.8 | ||||
| 39 | D | 31.6 | Very low | 31.5 | Very low | 139 Ų | 139 | 160.6 Ų | 160.6 | 74% | 0.743 | 81% | 0.805 | S | S | * | * | cis | -156.5 | 166.6 | 7.5 | -92 | -36.8 | 0 | 0 | 0 | 114.9 | ||||
| 40 | E | 33.8 | Very low | 31.1 | Very low | 181 Ų | 181 | 161 Ų | 161 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 71.1 | 153.6 | 153.1 | -77.9 | -169.9 | 118 | 0 | 0 | 125 | ||||
| 41 | E | 31.1 | Very low | 31.1 | Very low | 195 Ų | 195 | 160.5 Ų | 160.5 | 91% | 0.911 | 81% | 0.808 | S | S | * | * | trans | 58.3 | 130.1 | 175.4 | -56.5 | -170.1 | -176.3 | 0 | 0 | 119.4 | ||||
| 42 | G | 28.4 | Very low | 30.9 | Very low | 68 Ų | 68 | 157.1 Ų | 157.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | cis | 168.1 | 153.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 43 | V | 30.3 | Very low | 31.2 | Very low | 129 Ų | 129 | 154.3 Ų | 154.3 | 78% | 0.782 | 81% | 0.808 | S | S | * | * | trans | 82.1 | 132.2 | 152.9 | -176.3 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 44 | H | 29.3 | Very low | 31 | Very low | 164 Ų | 164 | 154.3 Ų | 154.3 | 76% | 0.759 | 81% | 0.809 | S | S | * | * | trans | 59.3 | 103.7 | 161.3 | -64.6 | 144.3 | 0 | 0 | 0 | 123.9 | ||||
| 45 | E | 28.7 | Very low | 31.2 | Very low | 173 Ų | 173 | 158 Ų | 158 | 81% | 0.808 | 81% | 0.814 | S | S | * | * | 31 | 125.1 | 107.7 | -173 | 174.8 | -155.2 | 0 | 0 | 121 | |||||
| 46 | V | 31.1 | Very low | 32.5 | Very low | 145 Ų | 145 | 151.8 Ų | 151.8 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | -170 | 166.6 | 123.5 | 139.7 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 47 | R | 30.5 | Very low | 32.5 | Very low | 197 Ų | 197 | 156 Ų | 156 | 74% | 0.743 | 81% | 0.807 | S | S | * | * | trans | -112.4 | 177.3 | -167.7 | 176.1 | 178.6 | 169.6 | 160.5 | 0.1 | 112.6 | ||||
| 48 | M | 30.5 | Very low | 32.5 | Very low | 146 Ų | 146 | 155.6 Ų | 155.6 | 72% | 0.719 | 81% | 0.805 | S | S | * | * | trans | 92.8 | 131.5 | 177.8 | -47.5 | -51.3 | -171.9 | 0 | 0 | 112.2 | ||||
| 49 | Q | 35.4 | Very low | 32.4 | Very low | 160 Ų | 160 | 151.5 Ų | 151.5 | 75% | 0.748 | 80% | 0.8 | S | S | * | * | cis | 73.4 | 102.8 | 41 | -60.6 | 176.6 | -75.4 | 0 | 0 | 113.8 | ||||
| 50 | D | 29.3 | Very low | 32.4 | Very low | 158 Ų | 158 | 152.6 Ų | 152.6 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | -155 | 165.2 | 131.3 | -151.8 | -1.6 | 0 | 0 | 0 | 110.7 | ||||
| 51 | D | 31.1 | Very low | 32.3 | Very low | 160 Ų | 160 | 149 Ų | 149 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | trans | -91.6 | 177.4 | -176.9 | -64.4 | -54.1 | 0 | 0 | 0 | 113.2 | ||||
| 52 | G | 29.1 | Very low | 32.4 | Very low | 79 Ų | 79 | 144.7 Ų | 144.7 | 81% | 0.814 | 80% | 0.804 | S | S | * | * | trans | 164.8 | 81.6 | 169.4 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 53 | L | 38.1 | Very low | 32.7 | Very low | 170 Ų | 170 | 150.3 Ų | 150.3 | 89% | 0.89 | 81% | 0.812 | S | S | * | * | trans | -81.6 | 136.1 | 165.3 | -66.3 | 163.2 | 0 | 0 | 0 | 110.5 | ||||
| 54 | Y | 27.5 | Very low | 32.8 | Very low | 223 Ų | 223 | 153.2 Ų | 153.2 | 88% | 0.875 | 82% | 0.818 | S | S | * | * | trans | -165.6 | 146.3 | 138.5 | -131.3 | -100.5 | 0 | 0 | 0 | 115.4 | ||||
| 55 | M | 37.6 | Very low | 32.8 | Very low | 165 Ų | 165 | 149.5 Ų | 149.5 | 81% | 0.813 | 82% | 0.824 | S | S | * | * | trans | -155.6 | 162.5 | 166.9 | -93.4 | -78.3 | -167.7 | 0 | 0 | 105.1 | ||||
| 56 | P | 57.8 | Low | 32.9 | Very low | 103 Ų | 103 | 144.8 Ų | 144.8 | 67% | 0.669 | 82% | 0.821 | S | S | * | * | cis | -125.1 | -161.1 | -3.8 | 42.5 | -26.7 | 0 | 0 | 0 | 111.4 | ||||
| 57 | D | 29.1 | Very low | 32.7 | Very low | 161 Ų | 161 | 144.4 Ų | 144.4 | 86% | 0.861 | 82% | 0.823 | S | S | * | * | trans | -160.4 | 170.7 | 130.4 | -137.3 | -31.4 | 0 | 0 | 0 | 112.4 | ||||
| 58 | E | 30.5 | Very low | 32.6 | Very low | 179 Ų | 179 | 144 Ų | 144 | 84% | 0.836 | 83% | 0.83 | S | S | * | * | trans | -111.8 | 164.8 | -167.5 | -64.5 | -169.1 | 77.3 | 0 | 0 | 117.4 | ||||
| 59 | A | 30.6 | Very low | 32.7 | Very low | 86 Ų | 86 | 143 Ų | 143 | 71% | 0.711 | 84% | 0.837 | S | S | * | * | trans | 98.7 | 151.9 | 135.8 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 60 | L | 31.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 140 Ų | 140 | 85% | 0.853 | 84% | 0.84 | S | S | * | * | trans | 87.8 | 70.9 | 159.1 | -50.7 | -171.1 | 0 | 0 | 0 | 121.4 | ||||
| 61 | A | 31.8 | Very low | 32.9 | Very low | 104 Ų | 104 | 135.8 Ų | 135.8 | 86% | 0.86 | 83% | 0.834 | S | S | * | * | 36.9 | 131.4 | 116.9 | 0 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 62 | A | 32.5 | Very low | 33.2 | Very low | 105 Ų | 105 | 136.7 Ų | 136.7 | 87% | 0.868 | 83% | 0.833 | S | S | * | * | trans | -148.8 | 146.1 | 145.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 63 | E | 34.6 | Very low | 33.5 | Very low | 186 Ų | 186 | 140.8 Ų | 140.8 | 87% | 0.869 | 84% | 0.836 | S | S | * | * | trans | -101 | 152.5 | -175.9 | -60.8 | -158 | 149 | 0 | 0 | 113.7 | ||||
| 64 | E | 32.2 | Very low | 33.7 | Very low | 191 Ų | 191 | 137.9 Ų | 137.9 | 89% | 0.893 | 82% | 0.821 | S | S | * | * | -178.3 | 139.2 | 103.8 | -98.3 | -166.1 | -172.5 | 0 | 0 | 113.3 | |||||
| 65 | G | 30.4 | Very low | 34.6 | Very low | 86 Ų | 86 | 129.7 Ų | 129.7 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | 85.6 | 102.1 | 139.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 66 | G | 29.7 | Very low | 35.3 | Very low | 73 Ų | 73 | 125.7 Ų | 125.7 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | 131.9 | 95.6 | 128.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 67 | C | 26.3 | Very low | 34.7 | Very low | 137 Ų | 137 | 128 Ų | 128 | 93% | 0.926 | 79% | 0.791 | S | S | * | * | trans | 64.6 | 131.7 | 153.6 | 80.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 68 | E | 29.8 | Very low | 35.7 | Very low | 189 Ų | 189 | 124.7 Ų | 124.7 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -103.9 | 142.2 | 178.8 | -59 | 160.9 | 89.5 | 0 | 0 | 111.9 | ||||
| 69 | S | 31.6 | Very low | 36.7 | Very low | 124 Ų | 124 | 120.9 Ų | 120.9 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -165.9 | 89.7 | 149.3 | -86.4 | 0 | 0 | 0 | 0 | 111.9 | G71 | S69-G71 PolarHBondContact O-N 2.97Š| ||
| 70 | A | 34.6 | Very low | 37.5 | Very low | 99 Ų | 99 | 121.5 Ų | 121.5 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | trans | 7.9 | 88 | 160.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 71 | G | 35 | Very low | 38.4 | Very low | 69 Ų | 69 | 118.9 Ų | 118.9 | 71% | 0.711 | 73% | 0.73 | S | S | * | * | trans | -75.6 | 134.4 | 136.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | S69 | S69-G71 PolarHBondContact O-N 2.97Š| ||
| 72 | Q | 37.6 | Very low | 39.1 | Very low | 178 Ų | 178 | 121.3 Ų | 121.3 | 83% | 0.832 | 72% | 0.717 | S | S | * | * | trans | -92.3 | 112.3 | 170.6 | -72.9 | -177.7 | -46.1 | 0 | 0 | 108.2 | L74 | Q72-L74 PolarHBondContact O-N 3.34Š| ||
| 73 | D | 36.2 | Very low | 39.8 | Very low | 165 Ų | 165 | 120.7 Ų | 120.7 | 88% | 0.882 | 70% | 0.699 | S | S | * | * | trans | -64.7 | 115.6 | 171.8 | -66 | -55.7 | 0 | 0 | 0 | 109.1 | ||||
| 74 | L | 41.4 | Very low | 40.2 | Very low | 109 Ų | 109 | 116.1 Ų | 116.1 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | trans | -74.6 | 139.7 | 173.4 | -62 | 177.6 | 0 | 0 | 0 | 109.2 | Q72 | Q72-L74 PolarHBondContact O-N 3.34Š| ||
| 75 | S | 46.7 | Very low | 40.9 | Very low | 52 Ų | 52 | 112.9 Ų | 112.9 | 36% | 0.364 | 67% | 0.667 | S | S | . | * | trans | -67.8 | 153.8 | -178.3 | 63.2 | 0 | 0 | 0 | 0 | 111.7 | E77 E78 L79 | S75-E77 PolarHBondContact O-N 3.1Å; S75-E78 WeakPolarHBondContact CB-OE2 3.27Å; S75-E78 PolarHBondContact N-OE2 2.89Å; S75-E78 PolarHBondContact O-N 3.26Å; S75-E78 VanDerWaalsContact O-N 3.09Å; S75-E78 WeakPolarHBondContact OG-CG 3.49Å; S75-E78 PolarHBondContact OG-OE2 3.34Å; S75-L79 PolarHBondContact O-N 3.37Å | ||
| 76 | A | 50.9 | Low | 41.5 | Very low | 81 Ų | 81 | 118.7 Ų | 118.7 | 67% | 0.669 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -59.1 | -29.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | E78 L79 D80 | A76-E78 PolarHBondContact O-N 3.06Å; A76-L79 PolarHBondContact O-N 3.41Å; A76-D80 PolarHBondContact O-N 3.39Å; A76-D80 VanDerWaalsContact O-N 3.09Å |
| 77 | E | 46.4 | Very low | 42.4 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 70% | 0.701 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -63.8 | -38.2 | 176.8 | -50.2 | -113.2 | 125.6 | 0 | 0 | 111.4 | S75 L79 D80 Q81 | S75-E77 PolarHBondContact O-N 3.1Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.25Å; E77-D80 PolarHBondContact O-N 3.35Å; E77-Q81 PolarHBondContact O-N 3.3Å |
| 78 | E | 50.2 | Low | 43.2 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 43% | 0.43 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -71.8 | -25.2 | 177.3 | -71.5 | 166.7 | 99.4 | 0 | 0 | 113.5 | S75 A76 R82 | S75-E78 WeakPolarHBondContact CB-OE2 3.27Å; S75-E78 PolarHBondContact N-OE2 2.89Å; S75-E78 PolarHBondContact O-N 3.26Å; S75-E78 VanDerWaalsContact O-N 3.09Å; S75-E78 WeakPolarHBondContact OG-CG 3.49Å; S75-E78 PolarHBondContact OG-OE2 3.34Å; A76-E78 PolarHBondContact O-N 3.06Å; E78-R82 PolarHBondContact O-N 2.75Å |
| 79 | L | 50.9 | Low | 43.8 | Very low | 99 Ų | 99 | 115.8 Ų | 115.8 | 52% | 0.518 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -73.5 | -44.1 | 170 | -78.9 | 166.7 | 0 | 0 | 0 | 110.9 | S75 A76 E77 Q81 R82 D83 | S75-L79 PolarHBondContact O-N 3.37Å; A76-L79 PolarHBondContact O-N 3.41Å; E77-L79 VanDerWaalsContact C-N 3.34Å; E77-L79 PolarHBondContact O-N 3.25Å; L79-Q81 VanDerWaalsContact C-N 3.31Å; L79-Q81 PolarHBondContact O-N 3.35Å; L79-R82 PolarHBondContact O-N 3.04Å; L79-D83 PolarHBondContact O-N 2.89Å |
| 80 | D | 48.3 | Very low | 44.6 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 53% | 0.529 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.8 | -34.9 | 178.6 | -148.9 | 53 | 0 | 0 | 0 | 111.6 | A76 E77 R82 D83 Q84 | A76-D80 PolarHBondContact O-N 3.39Å; A76-D80 VanDerWaalsContact O-N 3.09Å; E77-D80 PolarHBondContact O-N 3.35Å; D80-R82 VanDerWaalsContact C-N 3.35Å; D80-R82 PolarHBondContact O-N 2.88Å; D80-D83 PolarHBondContact O-N 3.06Å; D80-Q84 VanDerWaalsContact O-CD 3.3Å; D80-Q84 WeakPolarHBondContact O-CG 3.38Å; D80-Q84 PolarHBondContact O-N 3.25Å; D80-Q84 VanDerWaalsContact O-N 3.08Å; D80-Q84 PolarHBondContact O-NE2 3.5Å; D80-Q84 PolarHBondContact OD2-NE2 3.23Å |
| 81 | Q | 48.9 | Very low | 45.1 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 51% | 0.505 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -59.3 | -40.2 | 168.8 | -120.6 | 80.5 | 91.8 | 0 | 0 | 113 | E77 L79 Q84 D85 | E77-Q81 PolarHBondContact O-N 3.3Å; L79-Q81 VanDerWaalsContact C-N 3.31Å; L79-Q81 PolarHBondContact O-N 3.35Å; Q81-Q84 WeakPolarHBondContact O-CB 3.43Å; Q81-Q84 PolarHBondContact O-N 2.59Å; Q81-D85 PolarHBondContact O-N 2.83Å |
| 82 | R | 46.3 | Very low | 45.8 | Very low | 155 Ų | 155 | 117.8 Ų | 117.8 | 59% | 0.585 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -75.5 | -26.3 | 179.5 | -83.6 | -179.6 | 53.8 | -143.6 | -17.9 | 113.9 | E78 L79 D80 | E78-R82 PolarHBondContact O-N 2.75Å; L79-R82 PolarHBondContact O-N 3.04Å; D80-R82 VanDerWaalsContact C-N 3.35Å; D80-R82 PolarHBondContact O-N 2.88Å |
| 83 | D | 47 | Very low | 46.4 | Very low | 92 Ų | 92 | 113.5 Ų | 113.5 | 49% | 0.492 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -81.3 | -17.5 | 172.7 | -90.7 | 24 | 0 | 0 | 0 | 112.4 | L79 D80 R87 | L79-D83 PolarHBondContact O-N 2.89Å; D80-D83 PolarHBondContact O-N 3.06Å; D83-R87 PolarHBondContact O-N 3.3Å |
| 84 | Q | 43.8 | Very low | 47.4 | Very low | 91 Ų | 91 | 111.8 Ų | 111.8 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -67.9 | -42.6 | 166.1 | -68.7 | 155.4 | 29.8 | 0 | 0 | 111.1 | D80 Q81 Y86 R87 A88 | D80-Q84 VanDerWaalsContact O-CD 3.3Å; D80-Q84 WeakPolarHBondContact O-CG 3.38Å; D80-Q84 PolarHBondContact O-N 3.25Å; D80-Q84 VanDerWaalsContact O-N 3.08Å; D80-Q84 PolarHBondContact O-NE2 3.5Å; D80-Q84 PolarHBondContact OD2-NE2 3.23Å; Q81-Q84 WeakPolarHBondContact O-CB 3.43Å; Q81-Q84 PolarHBondContact O-N 2.59Å; Q84-Y86 PolarHBondContact O-N 3.37Å; Q84-R87 PolarHBondContact O-N 3.2Å; Q84-R87 VanDerWaalsContact O-N 3.08Å; Q84-A88 PolarHBondContact O-N 2.94Å; Q84-A88 VanDerWaalsContact O-N 3.1Å |
| 85 | D | 48 | Very low | 48.7 | Very low | 123 Ų | 123 | 114.1 Ų | 114.1 | 66% | 0.658 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -56.2 | -38.2 | 174.2 | -71.8 | -32 | 0 | 0 | 0 | 112.3 | Q81 A88 | Q81-D85 PolarHBondContact O-N 2.83Å; D85-A88 PolarHBondContact O-N 3.37Å |
| 86 | Y | 42.3 | Very low | 50.1 | Low | 207 Ų | 207 | 115.1 Ų | 115.1 | 81% | 0.812 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -78.2 | -18.1 | 179.7 | -127.5 | -88.1 | 0 | 0 | 0 | 114 | Q84 | Q84-Y86 PolarHBondContact O-N 3.37Å |
| 87 | R | 47.9 | Very low | 51.7 | Low | 171 Ų | 171 | 111.6 Ų | 111.6 | 65% | 0.645 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -80.9 | -34 | 169.6 | -81.1 | -174.2 | 170.9 | 87.1 | -6.9 | 112.6 | D83 Q84 D89 L90 | D83-R87 PolarHBondContact O-N 3.3Å; Q84-R87 PolarHBondContact O-N 3.2Å; Q84-R87 VanDerWaalsContact O-N 3.08Å; R87-D89 PolarHBondContact O-N 3.26Å; R87-D89 VanDerWaalsContact O-N 3.1Å; R87-L90 PolarHBondContact O-N 3.04Å; R87-L90 VanDerWaalsContact O-N 3.14Å |
| 88 | A | 42.8 | Very low | 53.6 | Low | 56 Ų | 56 | 106.7 Ų | 106.7 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59 | -25.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q84 D85 L90 D91 | Q84-A88 PolarHBondContact O-N 2.94Å; Q84-A88 VanDerWaalsContact O-N 3.1Å; D85-A88 PolarHBondContact O-N 3.37Å; A88-L90 VanDerWaalsContact C-N 3.26Å; A88-L90 PolarHBondContact O-N 2.81Å; A88-D91 PolarHBondContact O-N 3.36Å |
| 89 | D | 42.4 | Very low | 55.4 | Low | 111 Ų | 111 | 103.9 Ų | 103.9 | 59% | 0.594 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.5 | -19.2 | -179.4 | -133.3 | 12.7 | 0 | 0 | 0 | 113.2 | R87 Q92 | R87-D89 PolarHBondContact O-N 3.26Å; R87-D89 VanDerWaalsContact O-N 3.1Å; D89-Q92 PolarHBondContact OD1-NE2 3.41Å |
| 90 | L | 48.2 | Very low | 57.2 | Low | 136 Ų | 136 | 99.1 Ų | 99.1 | 71% | 0.712 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -73 | -36.1 | 171.9 | -85.5 | 159.5 | 0 | 0 | 0 | 112.3 | R87 A88 Q92 N93 | R87-L90 PolarHBondContact O-N 3.04Å; R87-L90 VanDerWaalsContact O-N 3.14Å; A88-L90 VanDerWaalsContact C-N 3.26Å; A88-L90 PolarHBondContact O-N 2.81Å; L90-Q92 PolarHBondContact O-N 3.46Å; L90-N93 PolarHBondContact O-ND2 2.9Å |
| 91 | D | 46 | Very low | 59.2 | Low | 95 Ų | 95 | 96.1 Ų | 96.1 | 51% | 0.508 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -77.1 | -7.6 | -179.1 | -78.9 | -31.4 | 0 | 0 | 0 | 113.8 | A88 N93 Q94 | A88-D91 PolarHBondContact O-N 3.36Å; D91-N93 PolarHBondContact O-N 3.5Å; D91-N93 VanDerWaalsContact O-N 3.11Å; D91-Q94 WeakPolarHBondContact O-CB 3.44Å; D91-Q94 PolarHBondContact O-N 3Å; D91-Q94 PolarHBondContact OD1-NE2 3.18Å |
| 92 | Q | 49.1 | Very low | 61.1 | Low | 104 Ų | 104 | 91 Ų | 91 | 49% | 0.486 | 44% | 0.436 | S | S | . | . | G | 310 helix | trans | -59.1 | -26.5 | 175.5 | -141.5 | 169.2 | 113.5 | 0 | 0 | 112.4 | D89 L90 Q94 | D89-Q92 PolarHBondContact OD1-NE2 3.41Å; L90-Q92 PolarHBondContact O-N 3.46Å; Q92-Q94 VanDerWaalsContact C-N 3.3Å; Q92-Q94 PolarHBondContact O-N 3.12Å |
| 93 | N | 50.3 | Low | 63 | Low | 87 Ų | 87 | 89.2 Ų | 89.2 | 47% | 0.465 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -76.6 | -6.3 | 173.9 | -62.5 | -71.7 | 0 | 0 | 0 | 114.5 | L90 D91 R95 | L90-N93 PolarHBondContact O-ND2 2.9Å; D91-N93 PolarHBondContact O-N 3.5Å; D91-N93 VanDerWaalsContact O-N 3.11Å; N93-R95 VanDerWaalsContact C-N 3.33Å |
| 94 | Q | 57.3 | Low | 64.6 | Low | 129 Ų | 129 | 90.8 Ų | 90.8 | 60% | 0.603 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -83.5 | -6.3 | 176.3 | -63.7 | -149.7 | 48.7 | 0 | 0 | 113.5 | D91 Q92 P96 Y175 | D91-Q94 WeakPolarHBondContact O-CB 3.44Å; D91-Q94 PolarHBondContact O-N 3Å; D91-Q94 PolarHBondContact OD1-NE2 3.18Å; Q92-Q94 VanDerWaalsContact C-N 3.3Å; Q92-Q94 PolarHBondContact O-N 3.12Å; Q94-P96 VanDerWaalsContact O-CD 3.25Å; Q94-P96 WeakPolarHBondContact O-CD 3.3Å; Q94-Y175 WeakPolarHBondContact O-CE2 3.38Å |
| 95 | R | 68.6 | Low | 66.5 | Low | 159 Ų | 159 | 86.7 Ų | 86.7 | 60% | 0.6 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -56.4 | 111.9 | 177.5 | -74.9 | 178.5 | 167.8 | -174.9 | -2.3 | 109.8 | N93 S97 Y175 | N93-R95 VanDerWaalsContact C-N 3.33Å; R95-S97 PolarHBondContact O-N 3.37Å; R95-Y175 WeakPolarHBondContact O-CB 3.02Å |
| 96 | P | 77.3 | Confident | 67.9 | Low | 72 Ų | 72 | 82 Ų | 82 | 47% | 0.468 | 39% | 0.393 | S | S | . | . | trans | -64.1 | 134 | -173.1 | 26 | -34.1 | 0 | 0 | 0 | 109.7 | Q94 I150 T154 Y175 | Q94-P96 VanDerWaalsContact O-CD 3.25Å; Q94-P96 WeakPolarHBondContact O-CD 3.3Å; P96-I150 HydrophobicContact CB-CD1 3.99Å; P96-I150 HydrophobicContact CB-CG1 4.07Å; P96-I150 HydrophobicContact CG-CD1 4.22Å; P96-I150 VanDerWaalsContact O-CD1 3.27Å; P96-I150 WeakPolarHBondContact O-CD1 3.31Å; P96-T154 WeakPolarHBondContact CB-OG1 3.48Å; P96-Y175 HydrophobicContact CB-CE1 4.18Å | ||
| 97 | S | 82.8 | Confident | 69.3 | Low | 8 Ų | 8 | 77.9 Ų | 77.9 | 6% | 0.056 | 38% | 0.382 | C | S | . | . | trans | -138 | 155.2 | -179.4 | 87.3 | 0 | 0 | 0 | 0 | 110.3 | R95 I99 A153 S176 | R95-S97 PolarHBondContact O-N 3.37Å; S97-I99 PolarHBondContact O-N 3.27Å; S97-I99 PolarHBondContact OG-N 3.49Å; S97-I99 PolarHBondContact OG-O 3.27Å; S97-A153 VanDerWaalsContact O-CB 3.23Å; S97-A153 WeakPolarHBondContact O-CB 3.3Å; S97-S176 WeakPolarHBondContact CB-O 3.39Å; S97-S176 PolarHBondContact OG-O 3.5Å | ||
| 98 | N | 86.3 | Confident | 70.6 | Confident | 47 Ų | 47 | 72.9 Ų | 72.9 | 25% | 0.251 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -77.5 | 7.4 | 179.3 | 74.9 | -64.4 | 0 | 0 | 0 | 113.2 | E146 F147 | N98-E146 PolarHBondContact ND2-OE1 3.31Å; N98-E146 CarbonylContact O-C 3.53Å; N98-E146 WeakPolarHBondContact O-CA 3.2Å; N98-F147 PolarHBondContact O-N 2.99Å |
| 99 | I | 88.5 | Confident | 72.2 | Confident | 32 Ų | 32 | 70.2 Ų | 70.2 | 16% | 0.164 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 111.1 | -179.1 | -51.5 | 171.5 | 0 | 0 | 0 | 109.5 | S97 F144 V145 E146 S176 | S97-I99 PolarHBondContact O-N 3.27Å; S97-I99 PolarHBondContact OG-N 3.49Å; S97-I99 PolarHBondContact OG-O 3.27Å; I99-F144 HydrophobicContact CG2-CB 4.22Å; I99-F144 HydrophobicContact CG2-CD1 4.2Å; I99-V145 CarbonylContact C-O 3.58Å; I99-V145 WeakPolarHBondContact CA-O 3.01Å; I99-E146 HydrophobicContact CG1-CB 4.09Å; I99-E146 HydrophobicContact CG1-CG 3.94Å; I99-S176 WeakPolarHBondContact CB-OG 3.13Å; I99-S176 WeakPolarHBondContact CG2-OG 3.43Å; I99-S176 PolarHBondContact O-N 3.45Å; I99-S176 PolarHBondContact O-OG 2.98Å |
| 100 | I | 89.4 | Confident | 74.1 | Confident | 0 Ų | 0 | 67.1 Ų | 67.1 | 0% | 0 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 132.6 | 176.9 | -70.4 | 170.8 | 0 | 0 | 0 | 109.9 | L102 F144 V145 F147 A153 W156 M157 M173 H174 Y175 | I100-L102 HydrophobicContact CG2-CD2 4.3Å; I100-F144 WeakPolarHBondContact O-CA 3.44Å; I100-V145 PolarHBondContact N-O 2.94Å; I100-V145 PolarHBondContact O-N 3.37Å; I100-F147 HydrophobicContact CB-CE2 4.19Å; I100-F147 HydrophobicContact CD1-CE2 4Å; I100-F147 HydrophobicContact CG1-CE2 4.26Å; I100-A153 HydrophobicContact CD1-CB 3.87Å; I100-A153 WeakPolarHBondContact CD1-O 3.27Å; I100-A153 HydrophobicContact CG1-CB 4.34Å; I100-W156 HydrophobicContact CB-CZ3 4.18Å; I100-W156 HydrophobicContact CD1-CE3 3.86Å; I100-W156 HydrophobicContact CD1-CZ3 4.38Å; I100-W156 HydrophobicContact CG2-CE3 4.32Å; I100-W156 HydrophobicContact CG2-CZ3 3.82Å; I100-M157 HydrophobicContact CD1-CB 4.04Å; I100-M173 HydrophobicContact CG2-CB 3.98Å; I100-M173 HydrophobicContact CG2-SD 4.44Å; I100-H174 CarbonylContact C-O 3.46Å; I100-H174 WeakPolarHBondContact CA-O 3.2Å; I100-H174 WeakPolarHBondContact CG2-O 3.48Å; I100-Y175 HydrophobicContact CD1-CD1 4.27Å; I100-Y175 HydrophobicContact CD1-CE1 4.2Å; I100-Y175 HydrophobicContact CG1-CD1 3.92Å; I100-Y175 HydrophobicContact CG1-CE1 4.36Å |
| 101 | M | 89 | Confident | 75.7 | Confident | 36 Ų | 36 | 61.9 Ų | 61.9 | 18% | 0.177 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 119.6 | 172.7 | -175.6 | -168.8 | -57 | 0 | 0 | 109.2 | R103 A143 F144 H174 | M101-R103 HydrophobicContact CG-CG 4.22Å; M101-R103 HydrophobicContact SD-CG 4.01Å; M101-R103 PolarHBondContact SD-NE 3.41Å; M101-A143 WeakPolarHBondContact CA-O 3.31Å; M101-F144 HydrophobicContact CB-CD1 4.3Å; M101-F144 HydrophobicContact CB-CE1 4.2Å; M101-F144 HydrophobicContact CE-CE1 3.67Å; M101-F144 HydrophobicContact CE-CZ 3.96Å; M101-F144 HydrophobicContact CG-CD1 4.45Å; M101-F144 HydrophobicContact CG-CE1 4.07Å; M101-F144 HydrophobicContact CG-CZ 4.38Å; M101-H174 PolarHBondContact N-O 3.07Å; M101-H174 PolarHBondContact O-N 2.96Å |
| 102 | L | 89.1 | Confident | 77.6 | Confident | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 131.3 | 167.7 | -58.9 | -175.6 | 0 | 0 | 0 | 109.2 | I100 L105 I114 F142 A143 V145 W156 L164 V171 M173 | I100-L102 HydrophobicContact CG2-CD2 4.3Å; L102-L105 HydrophobicContact CB-CD1 3.86Å; L102-L105 HydrophobicContact CB-CG 4.25Å; L102-L105 HydrophobicContact CD1-CD1 4.38Å; L102-I114 HydrophobicContact CD1-CD1 4.34Å; L102-I114 HydrophobicContact CD1-CG1 4.4Å; L102-I114 HydrophobicContact CD1-CG2 3.8Å; L102-F142 CarbonylContact O-C 3.58Å; L102-F142 WeakPolarHBondContact O-CA 3.48Å; L102-F142 WeakPolarHBondContact O-CB 3.47Å; L102-A143 HydrophobicContact CB-CB 4.38Å; L102-A143 PolarHBondContact N-O 3.5Å; L102-A143 PolarHBondContact O-N 2.88Å; L102-V145 HydrophobicContact CD1-CG2 4.06Å; L102-V145 HydrophobicContact CG-CG2 4.27Å; L102-W156 HydrophobicContact CD1-CH2 4.24Å; L102-W156 HydrophobicContact CD2-CH2 3.83Å; L102-W156 HydrophobicContact CD2-CZ3 4.08Å; L102-W156 HydrophobicContact CG-CH2 4.42Å; L102-L164 HydrophobicContact CD1-CD1 4.28Å; L102-L164 HydrophobicContact CD2-CD1 3.72Å; L102-V171 HydrophobicContact CB-CG1 4.01Å; L102-V171 HydrophobicContact CD2-CG1 4.26Å; L102-M173 HydrophobicContact CD2-CB 4.28Å; L102-M173 HydrophobicContact CD2-CG 3.58Å; L102-M173 HydrophobicContact CD2-SD 4.02Å |
| 103 | R | 86.4 | Confident | 79.3 | Confident | 117 Ų | 117 | 60.7 Ų | 60.7 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 160.8 | 173.6 | -62.1 | -174.8 | -178.6 | 177.1 | 2.9 | 109.8 | M101 L105 G141 V171 S172 | M101-R103 HydrophobicContact CG-CG 4.22Å; M101-R103 HydrophobicContact SD-CG 4.01Å; M101-R103 PolarHBondContact SD-NE 3.41Å; R103-L105 VanDerWaalsContact C-N 3.27Å; R103-L105 PolarHBondContact O-N 3.43Å; R103-G141 CarbonylContact C-O 3.51Å; R103-V171 CarbonylContact O-C 3.56Å; R103-V171 WeakPolarHBondContact O-CA 3.21Å; R103-V171 VanDerWaalsContact O-CG1 3.27Å; R103-V171 WeakPolarHBondContact O-CG1 3.16Å; R103-S172 PolarHBondContact N-O 2.89Å; R103-S172 PolarHBondContact O-N 2.87Å |
| 104 | M | 82.1 | Confident | 81 | Confident | 125 Ų | 125 | 56.6 Ų | 56.6 | 62% | 0.616 | 29% | 0.286 | S | S | * | . | S | Bend | trans | 63.3 | 27.3 | -176.3 | -53.7 | -61.4 | -69.8 | 0 | 0 | 114.2 | G141 Q169 R170 | M104-G141 PolarHBondContact N-O 3.45Å; M104-Q169 VanDerWaalsContact O-CG 3.3Å; M104-Q169 WeakPolarHBondContact O-CG 3.4Å; M104-R170 WeakPolarHBondContact CB-O 3.17Å |
| 105 | L | 83.1 | Confident | 82.4 | Confident | 6 Ų | 6 | 56.7 Ų | 56.7 | 3% | 0.031 | 28% | 0.281 | C | S | . | . | trans | -65.5 | 136.6 | 169.2 | -77.2 | 162.9 | 0 | 0 | 0 | 110.5 | L102 R103 A109 I114 L130 G141 A143 I166 V171 | L102-L105 HydrophobicContact CB-CD1 3.86Å; L102-L105 HydrophobicContact CB-CG 4.25Å; L102-L105 HydrophobicContact CD1-CD1 4.38Å; R103-L105 VanDerWaalsContact C-N 3.27Å; R103-L105 PolarHBondContact O-N 3.43Å; L105-A109 HydrophobicContact CB-CB 4.3Å; L105-A109 HydrophobicContact CD2-CB 4.26Å; L105-I114 HydrophobicContact CD1-CD1 3.82Å; L105-I114 HydrophobicContact CD2-CD1 4.03Å; L105-I114 HydrophobicContact CD2-CG1 4.17Å; L105-L130 HydrophobicContact CD1-CD1 4.14Å; L105-G141 PolarHBondContact N-O 3.34Å; L105-G141 WeakPolarHBondContact O-CA 3.38Å; L105-A143 HydrophobicContact CD1-CB 3.5Å; L105-A143 VanDerWaalsContact CD1-CB 3.5Å; L105-I166 HydrophobicContact CD2-CD1 3.97Å; L105-V171 HydrophobicContact CD2-CG1 3.97Å; L105-V171 HydrophobicContact CD2-CG2 3.86Å; L105-V171 HydrophobicContact CG-CG1 4.03Å; L105-V171 HydrophobicContact CG-CG2 4.36Å | ||
| 106 | P | 76.3 | Confident | 83.2 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 16% | 0.156 | 28% | 0.275 | C | S | . | . | trans | -65.3 | 155 | 177.2 | 24.8 | -29.9 | 0 | 0 | 0 | 111.4 | S108 A109 M167 Q169 | P106-S108 PolarHBondContact O-N 2.92Å; P106-A109 HydrophobicContact CG-CB 4.07Å; P106-A109 WeakPolarHBondContact O-CB 3.49Å; P106-A109 PolarHBondContact O-N 3.12Å; P106-M167 HydrophobicContact CG-CB 4.33Å; P106-Q169 HydrophobicContact CB-CB 4.12Å; P106-Q169 HydrophobicContact CB-CG 4.26Å; P106-Q169 HydrophobicContact CG-CB 3.91Å; P106-Q169 HydrophobicContact CG-CG 4.29Å | ||
| 107 | M | 71.7 | Confident | 83.5 | Confident | 120 Ų | 120 | 50.7 Ų | 50.7 | 59% | 0.591 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.9 | -24.9 | -174.5 | -67.6 | -172.4 | 127 | 0 | 0 | 113.7 | A109 Q138 | M107-A109 VanDerWaalsContact C-N 3.31Å; M107-Q138 HydrophobicContact CB-CG 4.4Å; M107-Q138 HydrophobicContact CE-CG 4.15Å; M107-Q138 HydrophobicContact SD-CG 4.48Å; M107-Q138 PolarHBondContact SD-NE2 3.21Å; M107-Q138 VanDerWaalsContact SD-NE2 3.35Å |
| 108 | S | 75.5 | Confident | 83.6 | Confident | 66 Ų | 66 | 50.3 Ų | 50.3 | 46% | 0.462 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | -30.8 | 170.6 | 46.1 | 0 | 0 | 0 | 0 | 113 | P106 T110 M167 | P106-S108 PolarHBondContact O-N 2.92Å; S108-T110 PolarHBondContact O-N 3.33Å; S108-M167 PolarHBondContact OG-SD 3Å |
| 109 | A | 76.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | trans | -51.2 | 127.1 | -160.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L105 P106 M107 E113 L130 R132 S139 | L105-A109 HydrophobicContact CB-CB 4.3Å; L105-A109 HydrophobicContact CD2-CB 4.26Å; P106-A109 HydrophobicContact CG-CB 4.07Å; P106-A109 WeakPolarHBondContact O-CB 3.49Å; P106-A109 PolarHBondContact O-N 3.12Å; M107-A109 VanDerWaalsContact C-N 3.31Å; A109-E113 WeakPolarHBondContact CA-OE2 3.46Å; A109-L130 WeakPolarHBondContact O-CD2 3.41Å; A109-R132 PolarHBondContact O-NH2 3.48Å; A109-S139 PolarHBondContact O-OG 3.15Å | ||
| 110 | T | 82.6 | Confident | 83.3 | Confident | 46 Ų | 46 | 58.5 Ų | 58.5 | 28% | 0.282 | 30% | 0.297 | S | S | . | . | trans | -95 | 160.8 | 172.8 | 76.1 | 0 | 0 | 0 | 0 | 111.5 | S108 N112 E113 | S108-T110 PolarHBondContact O-N 3.33Å; T110-N112 PolarHBondContact O-N 3.28Å; T110-N112 PolarHBondContact OG1-N 2.93Å; T110-E113 WeakPolarHBondContact CB-OE1 3.46Å; T110-E113 WeakPolarHBondContact CG2-OE1 3.38Å; T110-E113 PolarHBondContact N-OE1 3.12Å; T110-E113 PolarHBondContact N-OE2 2.98Å; T110-E113 VanDerWaalsContact OG1-CD 3.22Å; T110-E113 PolarHBondContact OG1-N 2.54Å; T110-E113 PolarHBondContact OG1-OE1 3.19Å | ||
| 111 | A | 82.8 | Confident | 82.8 | Confident | 26 Ų | 26 | 62 Ų | 62 | 22% | 0.215 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.6 | -15.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R115 V128 L130 | A111-R115 WeakPolarHBondContact O-CB 3.34Å; A111-R115 WeakPolarHBondContact O-CD 3.43Å; A111-R115 WeakPolarHBondContact O-CG 3.25Å; A111-R115 PolarHBondContact O-N 3.28Å; A111-R115 VanDerWaalsContact O-N 3.12Å; A111-V128 HydrophobicContact CB-CG1 4.34Å; A111-L130 HydrophobicContact CB-CB 4.25Å; A111-L130 HydrophobicContact CB-CD2 4.49Å |
| 112 | N | 85.7 | Confident | 82.3 | Confident | 117 Ų | 117 | 63 Ų | 63 | 63% | 0.626 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -81.5 | -39.4 | -179 | -63.9 | -7 | 0 | 0 | 0 | 111.5 | T110 I114 R115 A116 | T110-N112 PolarHBondContact O-N 3.28Å; T110-N112 PolarHBondContact OG1-N 2.93Å; N112-I114 VanDerWaalsContact C-N 3.34Å; N112-R115 PolarHBondContact O-N 3.16Å; N112-A116 WeakPolarHBondContact O-CB 3.24Å; N112-A116 PolarHBondContact O-N 3.32Å |
| 113 | E | 85 | Confident | 81.9 | Confident | 57 Ų | 57 | 63.5 Ų | 63.5 | 27% | 0.266 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -60.7 | -44.4 | 171.1 | -66.9 | 121.8 | -125.2 | 0 | 0 | 111.2 | A109 T110 R115 A116 Q117 I166 | A109-E113 WeakPolarHBondContact CA-OE2 3.46Å; T110-E113 WeakPolarHBondContact CB-OE1 3.46Å; T110-E113 WeakPolarHBondContact CG2-OE1 3.38Å; T110-E113 PolarHBondContact N-OE1 3.12Å; T110-E113 PolarHBondContact N-OE2 2.98Å; T110-E113 VanDerWaalsContact OG1-CD 3.22Å; T110-E113 PolarHBondContact OG1-N 2.54Å; T110-E113 PolarHBondContact OG1-OE1 3.19Å; E113-R115 VanDerWaalsContact C-N 3.32Å; E113-R115 PolarHBondContact O-N 2.83Å; E113-A116 WeakPolarHBondContact O-CB 3.25Å; E113-A116 PolarHBondContact O-N 3.42Å; E113-A116 VanDerWaalsContact O-N 3.16Å; E113-Q117 PolarHBondContact O-N 2.75Å; E113-I166 HydrophobicContact CB-CG2 4.17Å |
| 114 | I | 85.8 | Confident | 81.6 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -59.5 | -45.9 | 176.6 | -60 | 168.9 | 0 | 0 | 0 | 109.8 | L102 L105 N112 A116 Q117 L118 V128 L130 A143 V145 I166 | L102-I114 HydrophobicContact CD1-CD1 4.34Å; L102-I114 HydrophobicContact CD1-CG1 4.4Å; L102-I114 HydrophobicContact CD1-CG2 3.8Å; L105-I114 HydrophobicContact CD1-CD1 3.82Å; L105-I114 HydrophobicContact CD2-CD1 4.03Å; L105-I114 HydrophobicContact CD2-CG1 4.17Å; N112-I114 VanDerWaalsContact C-N 3.34Å; I114-A116 PolarHBondContact O-N 3.27Å; I114-Q117 PolarHBondContact O-N 3.34Å; I114-L118 HydrophobicContact CG2-CD1 3.96Å; I114-L118 WeakPolarHBondContact O-CD1 3.47Å; I114-L118 PolarHBondContact O-N 3.17Å; I114-V128 HydrophobicContact CB-CG1 4.07Å; I114-V128 HydrophobicContact CG2-CG1 3.73Å; I114-L130 HydrophobicContact CD1-CD1 4.33Å; I114-A143 HydrophobicContact CD1-CB 3.92Å; I114-V145 HydrophobicContact CG2-CG2 4.09Å; I114-I166 HydrophobicContact CG1-CD1 4.27Å |
| 115 | R | 85.3 | Confident | 81.8 | Confident | 132 Ų | 132 | 60 Ų | 60 | 50% | 0.498 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.9 | -39.7 | 175.1 | -75.1 | 168.7 | -175.2 | -133.5 | 0.8 | 112.8 | A111 N112 E113 L118 Q119 V128 | A111-R115 WeakPolarHBondContact O-CB 3.34Å; A111-R115 WeakPolarHBondContact O-CD 3.43Å; A111-R115 WeakPolarHBondContact O-CG 3.25Å; A111-R115 PolarHBondContact O-N 3.28Å; A111-R115 VanDerWaalsContact O-N 3.12Å; N112-R115 PolarHBondContact O-N 3.16Å; E113-R115 VanDerWaalsContact C-N 3.32Å; E113-R115 PolarHBondContact O-N 2.83Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-Q119 VanDerWaalsContact O-CB 3.3Å; R115-Q119 WeakPolarHBondContact O-CB 3.38Å; R115-Q119 PolarHBondContact O-N 2.89Å; R115-V128 HydrophobicContact CG-CB 4.17Å; R115-V128 HydrophobicContact CG-CG1 4.49Å; R115-V128 HydrophobicContact CG-CG2 3.79Å |
| 116 | A | 85.5 | Confident | 81.8 | Confident | 58 Ų | 58 | 67.1 Ų | 67.1 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -43.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | N112 E113 I114 L118 Q119 E120 | N112-A116 WeakPolarHBondContact O-CB 3.24Å; N112-A116 PolarHBondContact O-N 3.32Å; E113-A116 WeakPolarHBondContact O-CB 3.25Å; E113-A116 PolarHBondContact O-N 3.42Å; E113-A116 VanDerWaalsContact O-N 3.16Å; I114-A116 PolarHBondContact O-N 3.27Å; A116-L118 VanDerWaalsContact C-N 3.28Å; A116-L118 PolarHBondContact O-N 3.33Å; A116-Q119 PolarHBondContact O-N 2.93Å; A116-Q119 VanDerWaalsContact O-N 3.11Å; A116-E120 PolarHBondContact O-N 3.18Å |
| 117 | Q | 83.4 | Confident | 82.1 | Confident | 46 Ų | 46 | 70.2 Ų | 70.2 | 22% | 0.215 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -65.4 | -28.6 | 178.1 | -159.6 | 58.8 | 57.3 | 0 | 0 | 113.3 | E113 I114 E120 Q121 L164 | E113-Q117 PolarHBondContact O-N 2.75Å; I114-Q117 PolarHBondContact O-N 3.34Å; Q117-E120 PolarHBondContact NE2-OE2 3.4Å; Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; Q117-L164 HydrophobicContact CG-CD2 4.21Å |
| 118 | L | 85.1 | Confident | 82.8 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -76.9 | -40.7 | 169.3 | -85.4 | 92.3 | 0 | 0 | 0 | 112.5 | I114 R115 A116 E120 Q121 G122 I123 P125 V145 F147 W156 | I114-L118 HydrophobicContact CG2-CD1 3.96Å; I114-L118 WeakPolarHBondContact O-CD1 3.47Å; I114-L118 PolarHBondContact O-N 3.17Å; R115-L118 PolarHBondContact O-N 3.47Å; A116-L118 VanDerWaalsContact C-N 3.28Å; A116-L118 PolarHBondContact O-N 3.33Å; L118-E120 PolarHBondContact O-N 2.94Å; L118-Q121 CarbonylContact O-C 3.44Å; L118-Q121 PolarHBondContact O-N 3.05Å; L118-G122 PolarHBondContact O-N 3.39Å; L118-I123 CarbonylContact C-O 3.32Å; L118-I123 PolarHBondContact O-N 2.75Å; L118-P125 HydrophobicContact CD2-CB 3.71Å; L118-P125 HydrophobicContact CD2-CG 3.73Å; L118-V145 HydrophobicContact CD1-CG1 4.36Å; L118-V145 HydrophobicContact CD2-CG1 3.65Å; L118-F147 HydrophobicContact CD2-CE1 3.49Å; L118-F147 VanDerWaalsContact CD2-CE1 3.49Å; L118-F147 HydrophobicContact CD2-CZ 3.68Å; L118-W156 HydrophobicContact CD1-CH2 3.66Å; L118-W156 HydrophobicContact CD1-CZ2 3.22Å; L118-W156 HydrophobicContact CD2-CZ2 4.36Å; L118-W156 HydrophobicContact CG-CH2 4.27Å; L118-W156 HydrophobicContact CG-CZ2 3.62Å |
| 119 | Q | 85 | Confident | 83.3 | Confident | 114 Ų | 114 | 68.6 Ų | 68.6 | 53% | 0.533 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -67.8 | -34.2 | -177.4 | -174.3 | 57.7 | 81.6 | 0 | 0 | 112.6 | R115 A116 Q121 G122 | R115-Q119 VanDerWaalsContact O-CB 3.3Å; R115-Q119 WeakPolarHBondContact O-CB 3.38Å; R115-Q119 PolarHBondContact O-N 2.89Å; A116-Q119 PolarHBondContact O-N 2.93Å; A116-Q119 VanDerWaalsContact O-N 3.11Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q119-G122 PolarHBondContact O-N 3.11Å |
| 120 | E | 84 | Confident | 83.8 | Confident | 138 Ų | 138 | 69.7 Ų | 69.7 | 65% | 0.645 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 170.8 | -178.6 | -177.3 | -121.6 | 0 | 0 | 111.5 | A116 Q117 L118 G122 | A116-E120 PolarHBondContact O-N 3.18Å; Q117-E120 PolarHBondContact NE2-OE2 3.4Å; L118-E120 PolarHBondContact O-N 2.94Å; E120-G122 PolarHBondContact O-N 3.01Å |
| 121 | Q | 78.6 | Confident | 83.7 | Confident | 74 Ų | 74 | 70.3 Ų | 70.3 | 35% | 0.346 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | 4.2 | 175.8 | -57.4 | -59.3 | -50.9 | 0 | 0 | 112.9 | Q117 L118 Q119 I123 | Q117-Q121 WeakPolarHBondContact O-CG 3.45Å; L118-Q121 CarbonylContact O-C 3.44Å; L118-Q121 PolarHBondContact O-N 3.05Å; Q119-Q121 VanDerWaalsContact C-N 3.32Å; Q121-I123 VanDerWaalsContact C-N 3.3Å; Q121-I123 PolarHBondContact O-N 3.06Å |
| 122 | G | 78.3 | Confident | 83.8 | Confident | 55 Ų | 55 | 74.1 Ų | 74.1 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.9 | 12.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | L118 Q119 E120 | L118-G122 PolarHBondContact O-N 3.39Å; Q119-G122 PolarHBondContact O-N 3.11Å; E120-G122 PolarHBondContact O-N 3.01Å |
| 123 | I | 81.9 | Confident | 83.4 | Confident | 12 Ų | 12 | 71.5 Ų | 71.5 | 6% | 0.062 | 34% | 0.343 | C | S | . | . | trans | -105.4 | 128.7 | -173.5 | -55.2 | 175.6 | 0 | 0 | 0 | 110.2 | L118 Q121 P125 F147 E152 W156 | L118-I123 CarbonylContact C-O 3.32Å; L118-I123 PolarHBondContact O-N 2.75Å; Q121-I123 VanDerWaalsContact C-N 3.3Å; Q121-I123 PolarHBondContact O-N 3.06Å; I123-P125 WeakPolarHBondContact O-CD 3.25Å; I123-F147 HydrophobicContact CG2-CD1 3.67Å; I123-F147 HydrophobicContact CG2-CE1 3.58Å; I123-E152 HydrophobicContact CG2-CB 3.91Å; I123-E152 HydrophobicContact CG2-CG 4.29Å; I123-W156 HydrophobicContact CD1-CB 3.74Å; I123-W156 HydrophobicContact CD1-CG 4.18Å | ||
| 124 | Q | 80.1 | Confident | 82.9 | Confident | 133 Ų | 133 | 79.1 Ų | 79.1 | 62% | 0.621 | 38% | 0.376 | S | S | * | . | trans | -100.3 | 107.3 | -179.7 | -71.3 | 177 | 72.9 | 0 | 0 | 110.6 | N148 | Q124-N148 PolarHBondContact O-ND2 3.44Š| ||
| 125 | P | 84.9 | Confident | 82.1 | Confident | 35 Ų | 35 | 84.2 Ų | 84.2 | 23% | 0.227 | 41% | 0.411 | C | S | . | . | trans | -70.5 | 145.1 | 176.1 | 29.2 | -34.2 | 0 | 0 | 0 | 111.5 | L118 I123 V128 V145 E146 | L118-P125 HydrophobicContact CD2-CB 3.71Å; L118-P125 HydrophobicContact CD2-CG 3.73Å; I123-P125 WeakPolarHBondContact O-CD 3.25Å; P125-V128 HydrophobicContact CB-CG2 3.73Å; P125-V128 HydrophobicContact CG-CG2 3.47Å; P125-V128 VanDerWaalsContact CG-CG2 3.47Å; P125-V145 HydrophobicContact CB-CG1 3.83Å; P125-E146 CarbonylContact C-O 3.58Å | ||
| 126 | R | 83.8 | Confident | 81.5 | Confident | 156 Ų | 156 | 81 Ų | 81 | 59% | 0.589 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -70.8 | -45.6 | 172.6 | -168.3 | -164.3 | -170.3 | 164.8 | 15.9 | 112.1 | E146 | R126-E146 WeakPolarHBondContact CA-O 3.48Å; R126-E146 HydrophobicContact CB-CB 4.44Å; R126-E146 HydrophobicContact CB-CG 4.22Å; R126-E146 WeakPolarHBondContact CB-O 3.37Å; R126-E146 VanDerWaalsContact CD-OE1 3.25Å; R126-E146 WeakPolarHBondContact CD-OE1 3.35Å; R126-E146 IonicContact CZ-OE1 3.28Å; R126-E146 PolarHBondContact N-O 3.14Å; R126-E146 IonicContact NE-OE1 2.65Å; R126-E146 IonicContact NH1-OE1 3.39Å; R126-E146 PolarHBondContact NH1-OE1 3.02Å |
| 127 | E | 82.1 | Confident | 80.8 | Confident | 88 Ų | 88 | 80.1 Ų | 80.1 | 41% | 0.411 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 132.7 | 174.4 | -171.1 | -178.6 | 141.5 | 0 | 0 | 109.8 | R129 V145 E146 | E127-R129 HydrophobicContact CG-CB 4.4Å; E127-R129 WeakPolarHBondContact OE1-CB 3.47Å; E127-R129 WeakPolarHBondContact OE1-CD 3.49Å; E127-R129 IonicContact OE1-NH1 2.62Å; E127-V145 WeakPolarHBondContact O-CA 3.44Å; E127-E146 HydrophobicContact CB-CB 4.32Å; E127-E146 PolarHBondContact N-O 3.42Å; E127-E146 PolarHBondContact O-N 3.24Å |
| 128 | V | 86.9 | Confident | 80.3 | Confident | 12 Ų | 12 | 82.2 Ų | 82.2 | 7% | 0.073 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 104.7 | 168 | 178.1 | 0 | 0 | 0 | 0 | 108.2 | A111 I114 R115 P125 V145 | A111-V128 HydrophobicContact CB-CG1 4.34Å; I114-V128 HydrophobicContact CB-CG1 4.07Å; I114-V128 HydrophobicContact CG2-CG1 3.73Å; R115-V128 HydrophobicContact CG-CB 4.17Å; R115-V128 HydrophobicContact CG-CG1 4.49Å; R115-V128 HydrophobicContact CG-CG2 3.79Å; P125-V128 HydrophobicContact CB-CG2 3.73Å; P125-V128 HydrophobicContact CG-CG2 3.47Å; P125-V128 VanDerWaalsContact CG-CG2 3.47Å; V128-V145 HydrophobicContact CG2-CG1 4.35Å |
| 129 | R | 86 | Confident | 80 | Confident | 140 Ų | 140 | 82.3 Ų | 82.3 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 84.5 | -173.6 | -170.3 | -178.6 | 179.4 | 136.5 | -0.6 | 111.2 | E127 M131 A143 F144 | E127-R129 HydrophobicContact CG-CB 4.4Å; E127-R129 WeakPolarHBondContact OE1-CB 3.47Å; E127-R129 WeakPolarHBondContact OE1-CD 3.49Å; E127-R129 IonicContact OE1-NH1 2.62Å; R129-M131 PolarHBondContact O-N 2.83Å; R129-A143 WeakPolarHBondContact O-CA 3.2Å; R129-F144 HydrophobicContact CB-CB 4.38Å; R129-F144 PolarHBondContact N-O 3.36Å; R129-F144 PolarHBondContact O-N 3.14Å |
| 130 | L | 86.8 | Confident | 79.5 | Confident | 24 Ų | 24 | 83.9 Ų | 83.9 | 13% | 0.126 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 122.8 | 171.6 | 176.5 | 62.9 | 0 | 0 | 0 | 110.5 | L105 A109 A111 I114 R132 A143 | L105-L130 HydrophobicContact CD1-CD1 4.14Å; A109-L130 WeakPolarHBondContact O-CD2 3.41Å; A111-L130 HydrophobicContact CB-CB 4.25Å; A111-L130 HydrophobicContact CB-CD2 4.49Å; I114-L130 HydrophobicContact CD1-CD1 4.33Å; L130-R132 HydrophobicContact CD2-CG 4.42Å; L130-R132 VanDerWaalsContact CD2-NE 3.3Å; L130-R132 HydrophobicContact CG-CG 4.3Å; L130-R132 PolarHBondContact O-N 3.31Å; L130-A143 HydrophobicContact CB-CB 4.35Å; L130-A143 HydrophobicContact CD1-CB 4.01Å |
| 131 | M | 81.4 | Confident | 79.2 | Confident | 58 Ų | 58 | 78.3 Ų | 78.3 | 29% | 0.286 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.7 | 106.8 | -178.6 | -163.7 | 71.4 | 68.4 | 0 | 0 | 110.8 | R129 R140 F142 F144 | R129-M131 PolarHBondContact O-N 2.83Å; M131-R140 VanDerWaalsContact O-CB 3.31Å; M131-R140 WeakPolarHBondContact O-CB 3.4Å; M131-R140 WeakPolarHBondContact O-CG 3.37Å; M131-R140 PolarHBondContact O-N 2.9Å; M131-F142 HydrophobicContact CB-CD2 3.82Å; M131-F142 HydrophobicContact CB-CE2 3.4Å; M131-F142 VanDerWaalsContact CB-CE2 3.4Å; M131-F142 HydrophobicContact CB-CZ 3.93Å; M131-F142 HydrophobicContact CE-CE2 4.27Å; M131-F142 HydrophobicContact CG-CE2 3.63Å; M131-F142 HydrophobicContact CG-CZ 3.8Å; M131-F142 PolarHBondContact N-O 3.06Å; M131-F144 HydrophobicContact CE-CE2 4.37Å |
| 132 | R | 84.6 | Confident | 79.6 | Confident | 106 Ų | 106 | 77.4 Ų | 77.4 | 40% | 0.4 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 150.2 | 175.5 | -76.4 | 169.9 | 172.8 | -112.8 | 1.8 | 111.5 | A109 L130 G137 Q138 S139 | A109-R132 PolarHBondContact O-NH2 3.48Å; L130-R132 HydrophobicContact CD2-CG 4.42Å; L130-R132 VanDerWaalsContact CD2-NE 3.3Å; L130-R132 HydrophobicContact CG-CG 4.3Å; L130-R132 PolarHBondContact O-N 3.31Å; R132-G137 VanDerWaalsContact CD-O 3.27Å; R132-G137 WeakPolarHBondContact CD-O 3.44Å; R132-G137 WeakPolarHBondContact CG-O 3.44Å; R132-G137 PolarHBondContact NH1-O 3.2Å; R132-Q138 CarbonylContact C-O 3.6Å; R132-Q138 VanDerWaalsContact CA-O 3.31Å; R132-Q138 WeakPolarHBondContact CA-O 3.49Å; R132-S139 PolarHBondContact NE-OG 2.99Å; R132-S139 PolarHBondContact NH2-OG 3.18Å |
| 133 | N | 76.1 | Confident | 80.1 | Confident | 62 Ų | 62 | 74.8 Ų | 74.8 | 33% | 0.332 | 37% | 0.365 | S | S | . | . | trans | -75.5 | 128.2 | 179 | -169.4 | 17.9 | 0 | 0 | 0 | 110.6 | S135 S136 G137 Q138 R140 | N133-S135 PolarHBondContact ND2-OG 3.17Å; N133-S135 PolarHBondContact O-N 3.09Å; N133-S136 PolarHBondContact O-N 2.88Å; N133-G137 PolarHBondContact O-N 3.47Å; N133-Q138 PolarHBondContact N-O 2.94Å; N133-R140 HydrophobicContact CB-CG 4.28Å | ||
| 134 | K | 75.1 | Confident | 80.5 | Confident | 217 Ų | 217 | 76.7 Ų | 76.7 | 94% | 0.943 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -25.1 | -170.4 | -171.6 | 175 | 177.7 | -176.2 | 0 | 113.6 | ||
| 135 | S | 69.2 | Low | 81 | Confident | 108 Ų | 108 | 70.4 Ų | 70.4 | 76% | 0.755 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -21.1 | 179.8 | 51.5 | 0 | 0 | 0 | 0 | 115.1 | N133 | N133-S135 PolarHBondContact ND2-OG 3.17Å; N133-S135 PolarHBondContact O-N 3.09Å |
| 136 | S | 73.2 | Confident | 81.2 | Confident | 65 Ų | 65 | 70 Ų | 70 | 46% | 0.455 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127.5 | -3.8 | -174.6 | 66.4 | 0 | 0 | 0 | 0 | 115.2 | N133 Q138 | N133-S136 PolarHBondContact O-N 2.88Å; S136-Q138 PolarHBondContact O-N 3.28Å; S136-Q138 WeakPolarHBondContact OG-CB 3.2Å |
| 137 | G | 70.8 | Confident | 81.4 | Confident | 39 Ų | 39 | 62.6 Ų | 62.6 | 40% | 0.402 | 31% | 0.31 | S | S | . | . | trans | 66.9 | -4.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | R132 N133 | R132-G137 VanDerWaalsContact CD-O 3.27Å; R132-G137 WeakPolarHBondContact CD-O 3.44Å; R132-G137 WeakPolarHBondContact CG-O 3.44Å; R132-G137 PolarHBondContact NH1-O 3.2Å; N133-G137 PolarHBondContact O-N 3.47Å | ||
| 138 | Q | 72.4 | Confident | 81.6 | Confident | 90 Ų | 90 | 63 Ų | 63 | 42% | 0.421 | 32% | 0.315 | S | S | . | . | trans | -76.3 | 138.7 | -172.1 | -161.8 | 174.1 | 26.6 | 0 | 0 | 111.7 | M107 R132 N133 S136 R140 | M107-Q138 HydrophobicContact CB-CG 4.4Å; M107-Q138 HydrophobicContact CE-CG 4.15Å; M107-Q138 HydrophobicContact SD-CG 4.48Å; M107-Q138 PolarHBondContact SD-NE2 3.21Å; M107-Q138 VanDerWaalsContact SD-NE2 3.35Å; R132-Q138 CarbonylContact C-O 3.6Å; R132-Q138 VanDerWaalsContact CA-O 3.31Å; R132-Q138 WeakPolarHBondContact CA-O 3.49Å; N133-Q138 PolarHBondContact N-O 2.94Å; S136-Q138 PolarHBondContact O-N 3.28Å; S136-Q138 WeakPolarHBondContact OG-CB 3.2Å; Q138-R140 PolarHBondContact O-N 3.41Å | ||
| 139 | S | 78.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 66.8 Ų | 66.8 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 129.7 | 178.5 | -64.9 | 0 | 0 | 0 | 0 | 111 | A109 R132 G141 | A109-S139 PolarHBondContact O-OG 3.15Å; R132-S139 PolarHBondContact NE-OG 2.99Å; R132-S139 PolarHBondContact NH2-OG 3.18Å; S139-G141 PolarHBondContact O-N 3.3Å; S139-G141 VanDerWaalsContact O-N 3.1Å |
| 140 | R | 74 | Confident | 81.7 | Confident | 147 Ų | 147 | 64 Ų | 64 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.2 | 18.2 | -177.7 | -66.2 | -177.1 | 59.1 | 143.1 | -0.5 | 114.1 | M131 N133 Q138 F142 | M131-R140 VanDerWaalsContact O-CB 3.31Å; M131-R140 WeakPolarHBondContact O-CB 3.4Å; M131-R140 WeakPolarHBondContact O-CG 3.37Å; M131-R140 PolarHBondContact O-N 2.9Å; N133-R140 HydrophobicContact CB-CG 4.28Å; Q138-R140 PolarHBondContact O-N 3.41Å; R140-F142 HydrophobicContact CB-CD1 4.03Å; R140-F142 HydrophobicContact CB-CE1 3.68Å; R140-F142 HydrophobicContact CB-CZ 4.25Å; R140-F142 WeakPolarHBondContact O-CD1 3.36Å; R140-F142 PolarHBondContact O-N 3.32Å |
| 141 | G | 78.9 | Confident | 81.7 | Confident | 20 Ų | 20 | 69.5 Ų | 69.5 | 21% | 0.206 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72.1 | 6.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | R103 M104 L105 S139 | R103-G141 CarbonylContact C-O 3.51Å; M104-G141 PolarHBondContact N-O 3.45Å; L105-G141 PolarHBondContact N-O 3.34Å; L105-G141 WeakPolarHBondContact O-CA 3.38Å; S139-G141 PolarHBondContact O-N 3.3Å; S139-G141 VanDerWaalsContact O-N 3.1Å |
| 142 | F | 87 | Confident | 82.1 | Confident | 56 Ų | 56 | 68.8 Ų | 68.8 | 25% | 0.246 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 152.8 | 177.4 | 65.9 | -94.3 | 0 | 0 | 0 | 114.5 | L102 M131 R140 F144 | L102-F142 CarbonylContact O-C 3.58Å; L102-F142 WeakPolarHBondContact O-CA 3.48Å; L102-F142 WeakPolarHBondContact O-CB 3.47Å; M131-F142 HydrophobicContact CB-CD2 3.82Å; M131-F142 HydrophobicContact CB-CE2 3.4Å; M131-F142 VanDerWaalsContact CB-CE2 3.4Å; M131-F142 HydrophobicContact CB-CZ 3.93Å; M131-F142 HydrophobicContact CE-CE2 4.27Å; M131-F142 HydrophobicContact CG-CE2 3.63Å; M131-F142 HydrophobicContact CG-CZ 3.8Å; M131-F142 PolarHBondContact N-O 3.06Å; R140-F142 HydrophobicContact CB-CD1 4.03Å; R140-F142 HydrophobicContact CB-CE1 3.68Å; R140-F142 HydrophobicContact CB-CZ 4.25Å; R140-F142 WeakPolarHBondContact O-CD1 3.36Å; R140-F142 PolarHBondContact O-N 3.32Å; F142-F144 AromaticContact CD2-CE2 3.95Å; F142-F144 HydrophobicContact CD2-CE2 3.95Å; F142-F144 AromaticContact CE2-CE2 3.99Å; F142-F144 HydrophobicContact CE2-CE2 3.99Å |
| 143 | A | 88.3 | Confident | 82.2 | Confident | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.6 | 161.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | M101 L102 L105 I114 R129 L130 | M101-A143 WeakPolarHBondContact CA-O 3.31Å; L102-A143 HydrophobicContact CB-CB 4.38Å; L102-A143 PolarHBondContact N-O 3.5Å; L102-A143 PolarHBondContact O-N 2.88Å; L105-A143 HydrophobicContact CD1-CB 3.5Å; L105-A143 VanDerWaalsContact CD1-CB 3.5Å; I114-A143 HydrophobicContact CD1-CB 3.92Å; R129-A143 WeakPolarHBondContact O-CA 3.2Å; L130-A143 HydrophobicContact CB-CB 4.35Å; L130-A143 HydrophobicContact CD1-CB 4.01Å |
| 144 | F | 90.4 | Very high | 82.8 | Confident | 52 Ų | 52 | 62.1 Ų | 62.1 | 23% | 0.228 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 140.5 | 168.8 | -62.7 | -94.1 | 0 | 0 | 0 | 109.4 | I99 I100 M101 R129 M131 F142 | I99-F144 HydrophobicContact CG2-CB 4.22Å; I99-F144 HydrophobicContact CG2-CD1 4.2Å; I100-F144 WeakPolarHBondContact O-CA 3.44Å; M101-F144 HydrophobicContact CB-CD1 4.3Å; M101-F144 HydrophobicContact CB-CE1 4.2Å; M101-F144 HydrophobicContact CE-CE1 3.67Å; M101-F144 HydrophobicContact CE-CZ 3.96Å; M101-F144 HydrophobicContact CG-CD1 4.45Å; M101-F144 HydrophobicContact CG-CE1 4.07Å; M101-F144 HydrophobicContact CG-CZ 4.38Å; R129-F144 HydrophobicContact CB-CB 4.38Å; R129-F144 PolarHBondContact N-O 3.36Å; R129-F144 PolarHBondContact O-N 3.14Å; M131-F144 HydrophobicContact CE-CE2 4.37Å; F142-F144 AromaticContact CD2-CE2 3.95Å; F142-F144 HydrophobicContact CD2-CE2 3.95Å; F142-F144 AromaticContact CE2-CE2 3.99Å; F142-F144 HydrophobicContact CE2-CE2 3.99Å |
| 145 | V | 90.3 | Very high | 83.3 | Confident | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 107 | 177.6 | -177.2 | 0 | 0 | 0 | 0 | 107.6 | I99 I100 L102 I114 L118 P125 E127 V128 F147 W156 | I99-V145 CarbonylContact C-O 3.58Å; I99-V145 WeakPolarHBondContact CA-O 3.01Å; I100-V145 PolarHBondContact N-O 2.94Å; I100-V145 PolarHBondContact O-N 3.37Å; L102-V145 HydrophobicContact CD1-CG2 4.06Å; L102-V145 HydrophobicContact CG-CG2 4.27Å; I114-V145 HydrophobicContact CG2-CG2 4.09Å; L118-V145 HydrophobicContact CD1-CG1 4.36Å; L118-V145 HydrophobicContact CD2-CG1 3.65Å; P125-V145 HydrophobicContact CB-CG1 3.83Å; E127-V145 WeakPolarHBondContact O-CA 3.44Å; V128-V145 HydrophobicContact CG2-CG1 4.35Å; V145-F147 HydrophobicContact CB-CE2 4.06Å; V145-F147 HydrophobicContact CB-CZ 4.41Å; V145-F147 HydrophobicContact CG1-CD2 4.26Å; V145-F147 HydrophobicContact CG1-CE1 4.27Å; V145-F147 HydrophobicContact CG1-CE2 3.55Å; V145-F147 HydrophobicContact CG1-CZ 3.55Å; V145-W156 HydrophobicContact CB-CZ3 4.5Å; V145-W156 HydrophobicContact CG2-CH2 4.28Å |
| 146 | E | 89.9 | Confident | 84.2 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 13% | 0.131 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 130.7 | 172 | -176.1 | 167.3 | 158.5 | 0 | 0 | 109.5 | N98 I99 P125 R126 E127 | N98-E146 PolarHBondContact ND2-OE1 3.31Å; N98-E146 CarbonylContact O-C 3.53Å; N98-E146 WeakPolarHBondContact O-CA 3.2Å; I99-E146 HydrophobicContact CG1-CB 4.09Å; I99-E146 HydrophobicContact CG1-CG 3.94Å; P125-E146 CarbonylContact C-O 3.58Å; R126-E146 WeakPolarHBondContact CA-O 3.48Å; R126-E146 HydrophobicContact CB-CB 4.44Å; R126-E146 HydrophobicContact CB-CG 4.22Å; R126-E146 WeakPolarHBondContact CB-O 3.37Å; R126-E146 VanDerWaalsContact CD-OE1 3.25Å; R126-E146 WeakPolarHBondContact CD-OE1 3.35Å; R126-E146 IonicContact CZ-OE1 3.28Å; R126-E146 PolarHBondContact N-O 3.14Å; R126-E146 IonicContact NE-OE1 2.65Å; R126-E146 IonicContact NH1-OE1 3.39Å; R126-E146 PolarHBondContact NH1-OE1 3.02Å; E127-E146 HydrophobicContact CB-CB 4.32Å; E127-E146 PolarHBondContact N-O 3.42Å; E127-E146 PolarHBondContact O-N 3.24Å |
| 147 | F | 88.6 | Confident | 84.8 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | trans | -100.9 | 160.6 | 175.7 | -65.7 | -91.5 | 0 | 0 | 0 | 110.8 | N98 I100 L118 I123 V145 L149 E152 A153 W156 | N98-F147 PolarHBondContact O-N 2.99Å; I100-F147 HydrophobicContact CB-CE2 4.19Å; I100-F147 HydrophobicContact CD1-CE2 4Å; I100-F147 HydrophobicContact CG1-CE2 4.26Å; L118-F147 HydrophobicContact CD2-CE1 3.49Å; L118-F147 VanDerWaalsContact CD2-CE1 3.49Å; L118-F147 HydrophobicContact CD2-CZ 3.68Å; I123-F147 HydrophobicContact CG2-CD1 3.67Å; I123-F147 HydrophobicContact CG2-CE1 3.58Å; V145-F147 HydrophobicContact CB-CE2 4.06Å; V145-F147 HydrophobicContact CB-CZ 4.41Å; V145-F147 HydrophobicContact CG1-CD2 4.26Å; V145-F147 HydrophobicContact CG1-CE1 4.27Å; V145-F147 HydrophobicContact CG1-CE2 3.55Å; V145-F147 HydrophobicContact CG1-CZ 3.55Å; F147-L149 WeakPolarHBondContact CB-O 3.38Å; F147-E152 HydrophobicContact CB-CB 4.22Å; F147-E152 HydrophobicContact CD1-CB 3.82Å; F147-E152 HydrophobicContact CG-CB 4.32Å; F147-A153 HydrophobicContact CB-CB 4.16Å; F147-A153 HydrophobicContact CD2-CB 3.47Å; F147-A153 VanDerWaalsContact CD2-CB 3.47Å; F147-A153 HydrophobicContact CE2-CB 4.02Å; F147-A153 HydrophobicContact CG-CB 3.83Å; F147-W156 HydrophobicContact CE1-CB 4.42Å; F147-W156 HydrophobicContact CE1-CD2 4.45Å; F147-W156 HydrophobicContact CE1-CE3 4.41Å; F147-W156 HydrophobicContact CE1-CG 4.5Å; F147-W156 AromaticContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CZ3 4.17Å; F147-W156 HydrophobicContact CZ-CB 4.32Å; F147-W156 AromaticContact CZ-CD2 3.8Å; F147-W156 HydrophobicContact CZ-CD2 3.8Å; F147-W156 AromaticContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CG 4.24Å; F147-W156 AromaticContact CZ-CZ3 3.77Å; F147-W156 HydrophobicContact CZ-CZ3 3.77Å | ||
| 148 | N | 86.2 | Confident | 85.7 | Confident | 95 Ų | 95 | 56.9 Ų | 56.9 | 51% | 0.508 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -75.9 | -36.6 | 175.4 | -61.8 | -66.2 | 0 | 0 | 0 | 110.5 | Q124 E152 | Q124-N148 PolarHBondContact O-ND2 3.44Å; N148-E152 WeakPolarHBondContact CB-OE2 3.46Å; N148-E152 PolarHBondContact N-OE2 3.38Å |
| 149 | L | 86.6 | Confident | 86.3 | Confident | 93 Ų | 93 | 56.4 Ų | 56.4 | 49% | 0.487 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -121 | 142.6 | 177.1 | -59.5 | 173 | 0 | 0 | 0 | 111.6 | F147 Q151 E152 A153 | F147-L149 WeakPolarHBondContact CB-O 3.38Å; L149-Q151 PolarHBondContact O-N 2.95Å; L149-E152 HydrophobicContact CB-CB 4.46Å; L149-E152 HydrophobicContact CB-CG 3.98Å; L149-E152 HydrophobicContact CD1-CG 4.48Å; L149-E152 PolarHBondContact N-OE2 3.2Å; L149-E152 WeakPolarHBondContact O-CB 3.35Å; L149-E152 PolarHBondContact O-N 2.82Å; L149-E152 VanDerWaalsContact O-N 3.14Å; L149-A153 PolarHBondContact O-N 2.93Å |
| 150 | I | 86.8 | Confident | 86.6 | Confident | 81 Ų | 81 | 57.6 Ų | 57.6 | 42% | 0.415 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -56.8 | -33 | 168 | -172.6 | 167.2 | 0 | 0 | 0 | 112.2 | P96 A153 T154 | P96-I150 HydrophobicContact CB-CD1 3.99Å; P96-I150 HydrophobicContact CB-CG1 4.07Å; P96-I150 HydrophobicContact CG-CD1 4.22Å; P96-I150 VanDerWaalsContact O-CD1 3.27Å; P96-I150 WeakPolarHBondContact O-CD1 3.31Å; I150-A153 PolarHBondContact O-N 3.33Å; I150-T154 PolarHBondContact O-N 2.83Å; I150-T154 PolarHBondContact O-OG1 3.36Å |
| 151 | Q | 88.4 | Confident | 86.9 | Confident | 139 Ų | 139 | 58.8 Ų | 58.8 | 65% | 0.65 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -68.8 | -31.1 | 177.7 | -67.8 | 175.9 | -19.9 | 0 | 0 | 113.2 | L149 R155 | L149-Q151 PolarHBondContact O-N 2.95Å; Q151-R155 VanDerWaalsContact O-CB 3.31Å; Q151-R155 WeakPolarHBondContact O-CB 3.33Å; Q151-R155 PolarHBondContact O-N 3.46Å |
| 152 | E | 88.6 | Confident | 86.9 | Confident | 44 Ų | 44 | 58.4 Ų | 58.4 | 21% | 0.206 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.9 | -45.8 | 173.3 | -68.4 | 167.2 | 147 | 0 | 0 | 110.2 | I123 F147 N148 L149 R155 W156 | I123-E152 HydrophobicContact CG2-CB 3.91Å; I123-E152 HydrophobicContact CG2-CG 4.29Å; F147-E152 HydrophobicContact CB-CB 4.22Å; F147-E152 HydrophobicContact CD1-CB 3.82Å; F147-E152 HydrophobicContact CG-CB 4.32Å; N148-E152 WeakPolarHBondContact CB-OE2 3.46Å; N148-E152 PolarHBondContact N-OE2 3.38Å; L149-E152 HydrophobicContact CB-CB 4.46Å; L149-E152 HydrophobicContact CB-CG 3.98Å; L149-E152 HydrophobicContact CD1-CG 4.48Å; L149-E152 PolarHBondContact N-OE2 3.2Å; L149-E152 WeakPolarHBondContact O-CB 3.35Å; L149-E152 PolarHBondContact O-N 2.82Å; L149-E152 VanDerWaalsContact O-N 3.14Å; E152-R155 PolarHBondContact O-N 2.84Å; E152-W156 WeakPolarHBondContact O-CB 3.34Å; E152-W156 PolarHBondContact O-N 3.32Å |
| 153 | A | 87.3 | Confident | 86.7 | Confident | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.9 | -48.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S97 I100 F147 L149 I150 W156 M157 | S97-A153 VanDerWaalsContact O-CB 3.23Å; S97-A153 WeakPolarHBondContact O-CB 3.3Å; I100-A153 HydrophobicContact CD1-CB 3.87Å; I100-A153 WeakPolarHBondContact CD1-O 3.27Å; I100-A153 HydrophobicContact CG1-CB 4.34Å; F147-A153 HydrophobicContact CB-CB 4.16Å; F147-A153 HydrophobicContact CD2-CB 3.47Å; F147-A153 VanDerWaalsContact CD2-CB 3.47Å; F147-A153 HydrophobicContact CE2-CB 4.02Å; F147-A153 HydrophobicContact CG-CB 3.83Å; L149-A153 PolarHBondContact O-N 2.93Å; I150-A153 PolarHBondContact O-N 3.33Å; A153-W156 PolarHBondContact O-N 2.9Å; A153-M157 WeakPolarHBondContact O-CB 3.49Å; A153-M157 PolarHBondContact O-N 2.94Å |
| 154 | T | 87.8 | Confident | 86.5 | Confident | 28 Ų | 28 | 57.5 Ų | 57.5 | 17% | 0.172 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 178.9 | -67.2 | 0 | 0 | 0 | 0 | 112.5 | P96 I150 W156 M157 E158 Y175 | P96-T154 WeakPolarHBondContact CB-OG1 3.48Å; I150-T154 PolarHBondContact O-N 2.83Å; I150-T154 PolarHBondContact O-OG1 3.36Å; T154-W156 VanDerWaalsContact C-N 3.29Å; T154-W156 PolarHBondContact O-N 2.8Å; T154-M157 WeakPolarHBondContact O-CB 3.31Å; T154-M157 PolarHBondContact O-N 2.98Å; T154-M157 VanDerWaalsContact O-N 3.15Å; T154-E158 HydrophobicContact CG2-CG 4.31Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.37Å; T154-E158 WeakPolarHBondContact O-CB 3.3Å; T154-E158 VanDerWaalsContact O-CG 3.3Å; T154-E158 WeakPolarHBondContact O-CG 3.3Å; T154-E158 PolarHBondContact O-N 3.11Å; T154-Y175 WeakPolarHBondContact CA-OH 3.33Å; T154-Y175 WeakPolarHBondContact CB-OH 3.35Å; T154-Y175 PolarHBondContact OG1-OH 3.33Å |
| 155 | R | 87.1 | Confident | 86.1 | Confident | 156 Ų | 156 | 60.3 Ų | 60.3 | 59% | 0.589 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55.9 | -45.4 | 174.5 | -176.6 | -174.6 | -61.7 | 166.8 | 2.1 | 111.4 | Q151 E152 M157 E158 T159 | Q151-R155 VanDerWaalsContact O-CB 3.31Å; Q151-R155 WeakPolarHBondContact O-CB 3.33Å; Q151-R155 PolarHBondContact O-N 3.46Å; E152-R155 PolarHBondContact O-N 2.84Å; R155-M157 PolarHBondContact O-N 3.36Å; R155-E158 PolarHBondContact O-N 3.32Å; R155-T159 WeakPolarHBondContact O-CB 3.25Å; R155-T159 PolarHBondContact O-N 2.89Å; R155-T159 PolarHBondContact O-OG1 2.88Å |
| 156 | W | 86.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.1 | -39.4 | 179.6 | -168.4 | 62.4 | 0 | 0 | 0 | 112.6 | I100 L102 L118 I123 V145 F147 E152 A153 T154 N160 L164 M173 | I100-W156 HydrophobicContact CB-CZ3 4.18Å; I100-W156 HydrophobicContact CD1-CE3 3.86Å; I100-W156 HydrophobicContact CD1-CZ3 4.38Å; I100-W156 HydrophobicContact CG2-CE3 4.32Å; I100-W156 HydrophobicContact CG2-CZ3 3.82Å; L102-W156 HydrophobicContact CD1-CH2 4.24Å; L102-W156 HydrophobicContact CD2-CH2 3.83Å; L102-W156 HydrophobicContact CD2-CZ3 4.08Å; L102-W156 HydrophobicContact CG-CH2 4.42Å; L118-W156 HydrophobicContact CD1-CH2 3.66Å; L118-W156 HydrophobicContact CD1-CZ2 3.22Å; L118-W156 HydrophobicContact CD2-CZ2 4.36Å; L118-W156 HydrophobicContact CG-CH2 4.27Å; L118-W156 HydrophobicContact CG-CZ2 3.62Å; I123-W156 HydrophobicContact CD1-CB 3.74Å; I123-W156 HydrophobicContact CD1-CG 4.18Å; V145-W156 HydrophobicContact CB-CZ3 4.5Å; V145-W156 HydrophobicContact CG2-CH2 4.28Å; F147-W156 HydrophobicContact CE1-CB 4.42Å; F147-W156 HydrophobicContact CE1-CD2 4.45Å; F147-W156 HydrophobicContact CE1-CE3 4.41Å; F147-W156 HydrophobicContact CE1-CG 4.5Å; F147-W156 AromaticContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CE3 3.96Å; F147-W156 HydrophobicContact CE2-CZ3 4.17Å; F147-W156 HydrophobicContact CZ-CB 4.32Å; F147-W156 AromaticContact CZ-CD2 3.8Å; F147-W156 HydrophobicContact CZ-CD2 3.8Å; F147-W156 AromaticContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CE3 3.38Å; F147-W156 HydrophobicContact CZ-CG 4.24Å; F147-W156 AromaticContact CZ-CZ3 3.77Å; F147-W156 HydrophobicContact CZ-CZ3 3.77Å; E152-W156 WeakPolarHBondContact O-CB 3.34Å; E152-W156 PolarHBondContact O-N 3.32Å; A153-W156 PolarHBondContact O-N 2.9Å; T154-W156 VanDerWaalsContact C-N 3.29Å; T154-W156 PolarHBondContact O-N 2.8Å; W156-N160 PolarHBondContact O-N 3.36Å; W156-N160 PolarHBondContact O-ND2 3.46Å; W156-L164 HydrophobicContact CH2-CD1 3.6Å; W156-L164 HydrophobicContact CZ2-CD1 3.42Å; W156-L164 VanDerWaalsContact CZ2-CD1 3.42Å; W156-L164 HydrophobicContact CZ2-CD2 4.13Å; W156-L164 HydrophobicContact CZ2-CG 4.36Å; W156-M173 HydrophobicContact CD2-SD 4.18Å; W156-M173 HydrophobicContact CE3-SD 3.71Å; W156-M173 HydrophobicContact CH2-SD 3.98Å; W156-M173 HydrophobicContact CZ2-SD 4.33Å; W156-M173 HydrophobicContact CZ3-SD 3.63Å |
| 157 | M | 87.5 | Confident | 84.7 | Confident | 34 Ų | 34 | 64.6 Ų | 64.6 | 17% | 0.167 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.9 | -43.5 | 174.5 | -172.3 | 69 | -174.2 | 0 | 0 | 111.9 | I100 A153 T154 R155 Q161 G162 M173 Y175 | I100-M157 HydrophobicContact CD1-CB 4.04Å; A153-M157 WeakPolarHBondContact O-CB 3.49Å; A153-M157 PolarHBondContact O-N 2.94Å; T154-M157 WeakPolarHBondContact O-CB 3.31Å; T154-M157 PolarHBondContact O-N 2.98Å; T154-M157 VanDerWaalsContact O-N 3.15Å; R155-M157 PolarHBondContact O-N 3.36Å; M157-Q161 PolarHBondContact O-N 3.34Å; M157-Q161 VanDerWaalsContact O-N 3.12Å; M157-G162 PolarHBondContact O-N 3.39Å; M157-M173 HydrophobicContact CE-CB 4.4Å; M157-M173 HydrophobicContact SD-CB 3.7Å; M157-M173 HydrophobicContact SD-CE 3.98Å; M157-Y175 HydrophobicContact CB-CE1 4.25Å; M157-Y175 HydrophobicContact CG-CE1 4.35Å; M157-Y175 HydrophobicContact CG-CE2 4Å |
| 158 | E | 87.8 | Confident | 84.1 | Confident | 128 Ų | 128 | 73.5 Ų | 73.5 | 60% | 0.598 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -72.1 | -52.3 | -179.8 | -70.8 | 166.8 | 170.1 | 0 | 0 | 112.5 | T154 R155 N160 Q161 | T154-E158 HydrophobicContact CG2-CG 4.31Å; T154-E158 WeakPolarHBondContact CG2-OE1 3.37Å; T154-E158 WeakPolarHBondContact O-CB 3.3Å; T154-E158 VanDerWaalsContact O-CG 3.3Å; T154-E158 WeakPolarHBondContact O-CG 3.3Å; T154-E158 PolarHBondContact O-N 3.11Å; R155-E158 PolarHBondContact O-N 3.32Å; E158-N160 PolarHBondContact O-N 3.33Å; E158-N160 VanDerWaalsContact O-N 3.14Å; E158-Q161 PolarHBondContact O-N 2.79Å |
| 159 | T | 86.3 | Confident | 83.7 | Confident | 80 Ų | 80 | 72.7 Ų | 72.7 | 49% | 0.491 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -54.5 | -35.7 | -179.7 | -64.7 | 0 | 0 | 0 | 0 | 112.1 | R155 | R155-T159 WeakPolarHBondContact O-CB 3.25Å; R155-T159 PolarHBondContact O-N 2.89Å; R155-T159 PolarHBondContact O-OG1 2.88Å |
| 160 | N | 84.1 | Confident | 83.6 | Confident | 29 Ų | 29 | 75.6 Ų | 75.6 | 16% | 0.155 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.8 | 7.7 | -179.8 | -58.2 | -86.2 | 0 | 0 | 0 | 112.7 | W156 E158 G162 T163 L164 M173 | W156-N160 PolarHBondContact O-N 3.36Å; W156-N160 PolarHBondContact O-ND2 3.46Å; E158-N160 PolarHBondContact O-N 3.33Å; E158-N160 VanDerWaalsContact O-N 3.14Å; N160-G162 VanDerWaalsContact C-N 3.27Å; N160-G162 PolarHBondContact O-N 3.31Å; N160-G162 VanDerWaalsContact O-N 3.13Å; N160-T163 CarbonylContact O-C 3.56Å; N160-T163 WeakPolarHBondContact O-CA 3.21Å; N160-T163 PolarHBondContact O-N 2.93Å; N160-L164 HydrophobicContact CB-CD2 3.8Å; N160-L164 VanDerWaalsContact CG-CD2 3.46Å; N160-L164 WeakPolarHBondContact OD1-CD2 3.31Å; N160-M173 HydrophobicContact CB-CE 3.63Å |
| 161 | Q | 80.3 | Confident | 83.7 | Confident | 171 Ų | 171 | 71.7 Ų | 71.7 | 80% | 0.799 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 45.1 | 176 | -55.5 | 177.8 | 35 | 0 | 0 | 113.6 | M157 E158 T163 | M157-Q161 PolarHBondContact O-N 3.34Å; M157-Q161 VanDerWaalsContact O-N 3.12Å; E158-Q161 PolarHBondContact O-N 2.79Å; Q161-T163 PolarHBondContact O-N 3.33Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; Q161-T163 PolarHBondContact O-OG1 3.3Å |
| 162 | G | 78.5 | Confident | 83.6 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 12% | 0.124 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 64.8 | 12.3 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | M157 N160 M173 | M157-G162 PolarHBondContact O-N 3.39Å; N160-G162 VanDerWaalsContact C-N 3.27Å; N160-G162 PolarHBondContact O-N 3.31Å; N160-G162 VanDerWaalsContact O-N 3.13Å; G162-M173 PolarHBondContact O-N 2.83Å |
| 163 | T | 83.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 22% | 0.221 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 119.1 | -170.5 | -58.6 | 0 | 0 | 0 | 0 | 112.1 | N160 Q161 R170 V171 | N160-T163 CarbonylContact O-C 3.56Å; N160-T163 WeakPolarHBondContact O-CA 3.21Å; N160-T163 PolarHBondContact O-N 2.93Å; Q161-T163 PolarHBondContact O-N 3.33Å; Q161-T163 VanDerWaalsContact O-N 3.14Å; Q161-T163 PolarHBondContact O-OG1 3.3Å; T163-R170 HydrophobicContact CG2-CG 3.55Å; T163-R170 PolarHBondContact OG1-NH2 3.49Å; T163-V171 CarbonylContact C-O 3.53Å; T163-V171 WeakPolarHBondContact CA-O 3.38Å |
| 164 | L | 84.6 | Confident | 83.6 | Confident | 2 Ų | 2 | 67.5 Ų | 67.5 | 1% | 0.01 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 153.7 | 168.1 | -62.4 | 165.1 | 0 | 0 | 0 | 110.6 | L102 Q117 W156 N160 I166 V171 M173 | L102-L164 HydrophobicContact CD1-CD1 4.28Å; L102-L164 HydrophobicContact CD2-CD1 3.72Å; Q117-L164 HydrophobicContact CG-CD2 4.21Å; W156-L164 HydrophobicContact CH2-CD1 3.6Å; W156-L164 HydrophobicContact CZ2-CD1 3.42Å; W156-L164 VanDerWaalsContact CZ2-CD1 3.42Å; W156-L164 HydrophobicContact CZ2-CD2 4.13Å; W156-L164 HydrophobicContact CZ2-CG 4.36Å; N160-L164 HydrophobicContact CB-CD2 3.8Å; N160-L164 VanDerWaalsContact CG-CD2 3.46Å; N160-L164 WeakPolarHBondContact OD1-CD2 3.31Å; L164-I166 HydrophobicContact CB-CD1 4.32Å; L164-I166 HydrophobicContact CB-CG1 4.18Å; L164-I166 HydrophobicContact CD1-CD1 4.24Å; L164-V171 HydrophobicContact CB-CB 4.13Å; L164-V171 PolarHBondContact N-O 3.25Å; L164-V171 PolarHBondContact O-N 2.82Å; L164-M173 HydrophobicContact CD1-CG 4.11Å; L164-M173 HydrophobicContact CD1-SD 3.64Å; L164-M173 HydrophobicContact CD2-SD 4.2Å; L164-M173 HydrophobicContact CG-CE 4.47Å; L164-M173 HydrophobicContact CG-CG 4.08Å; L164-M173 HydrophobicContact CG-SD 3.64Å |
| 165 | M | 81.7 | Confident | 83.5 | Confident | 111 Ų | 111 | 67.3 Ų | 67.3 | 55% | 0.547 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 118 | 164.7 | -65.3 | -61.5 | -69.3 | 0 | 0 | 107.8 | E168 R170 | M165-E168 WeakPolarHBondContact CE-O 3.37Å; M165-R170 HydrophobicContact SD-CB 3.92Å; M165-R170 HydrophobicContact SD-CG 4.17Å |
| 166 | I | 80.9 | Confident | 83 | Confident | 6 Ų | 6 | 60.5 Ų | 60.5 | 3% | 0.031 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 119 | -179.5 | -58.4 | -177.8 | 0 | 0 | 0 | 108.1 | L105 E113 I114 L164 E168 Q169 V171 | L105-I166 HydrophobicContact CD2-CD1 3.97Å; E113-I166 HydrophobicContact CB-CG2 4.17Å; I114-I166 HydrophobicContact CG1-CD1 4.27Å; L164-I166 HydrophobicContact CB-CD1 4.32Å; L164-I166 HydrophobicContact CB-CG1 4.18Å; L164-I166 HydrophobicContact CD1-CD1 4.24Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-E168 PolarHBondContact O-N 2.79Å; I166-Q169 PolarHBondContact N-O 2.85Å; I166-Q169 WeakPolarHBondContact O-CB 3.2Å; I166-Q169 PolarHBondContact O-N 2.86Å; I166-Q169 VanDerWaalsContact O-N 3.16Å; I166-V171 HydrophobicContact CB-CG2 4.05Å; I166-V171 HydrophobicContact CD1-CG2 4.29Å; I166-V171 HydrophobicContact CG1-CG2 4.18Å |
| 167 | M | 70.1 | Confident | 82 | Confident | 112 Ų | 112 | 66.1 Ų | 66.1 | 55% | 0.552 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 50.8 | -171.2 | -55.7 | -174.1 | 76.8 | 0 | 0 | 112.4 | P106 S108 Q169 | P106-M167 HydrophobicContact CG-CB 4.33Å; S108-M167 PolarHBondContact OG-SD 3Å; M167-Q169 PolarHBondContact O-N 2.99Å |
| 168 | E | 74.4 | Confident | 80.7 | Confident | 186 Ų | 186 | 68.6 Ų | 68.6 | 87% | 0.869 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.7 | -9.2 | -176.5 | -54.2 | -177.5 | 142.1 | 0 | 0 | 115.9 | M165 I166 | M165-E168 WeakPolarHBondContact CE-O 3.37Å; I166-E168 VanDerWaalsContact C-N 3.34Å; I166-E168 PolarHBondContact O-N 2.79Å |
| 169 | Q | 78.9 | Confident | 79.3 | Confident | 79 Ų | 79 | 71 Ų | 71 | 37% | 0.369 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 132.1 | 176 | 178.4 | 58.3 | 59.8 | 0 | 0 | 111.2 | M104 P106 I166 M167 V171 | M104-Q169 VanDerWaalsContact O-CG 3.3Å; M104-Q169 WeakPolarHBondContact O-CG 3.4Å; P106-Q169 HydrophobicContact CB-CB 4.12Å; P106-Q169 HydrophobicContact CB-CG 4.26Å; P106-Q169 HydrophobicContact CG-CB 3.91Å; P106-Q169 HydrophobicContact CG-CG 4.29Å; I166-Q169 PolarHBondContact N-O 2.85Å; I166-Q169 WeakPolarHBondContact O-CB 3.2Å; I166-Q169 PolarHBondContact O-N 2.86Å; I166-Q169 VanDerWaalsContact O-N 3.16Å; M167-Q169 PolarHBondContact O-N 2.99Å; Q169-V171 PolarHBondContact O-N 3.33Å |
| 170 | R | 84.7 | Confident | 77.5 | Confident | 153 Ų | 153 | 72 Ų | 72 | 58% | 0.577 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 118.5 | 169.4 | -168.2 | -175.7 | 177.8 | -150.6 | -3.9 | 110.3 | M104 T163 M165 | M104-R170 WeakPolarHBondContact CB-O 3.17Å; T163-R170 HydrophobicContact CG2-CG 3.55Å; T163-R170 PolarHBondContact OG1-NH2 3.49Å; M165-R170 HydrophobicContact SD-CB 3.92Å; M165-R170 HydrophobicContact SD-CG 4.17Å |
| 171 | V | 87.8 | Confident | 76.1 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 127.9 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 108.4 | L102 R103 L105 T163 L164 I166 Q169 | L102-V171 HydrophobicContact CB-CG1 4.01Å; L102-V171 HydrophobicContact CD2-CG1 4.26Å; R103-V171 CarbonylContact O-C 3.56Å; R103-V171 WeakPolarHBondContact O-CA 3.21Å; R103-V171 VanDerWaalsContact O-CG1 3.27Å; R103-V171 WeakPolarHBondContact O-CG1 3.16Å; L105-V171 HydrophobicContact CD2-CG1 3.97Å; L105-V171 HydrophobicContact CD2-CG2 3.86Å; L105-V171 HydrophobicContact CG-CG1 4.03Å; L105-V171 HydrophobicContact CG-CG2 4.36Å; T163-V171 CarbonylContact C-O 3.53Å; T163-V171 WeakPolarHBondContact CA-O 3.38Å; L164-V171 HydrophobicContact CB-CB 4.13Å; L164-V171 PolarHBondContact N-O 3.25Å; L164-V171 PolarHBondContact O-N 2.82Å; I166-V171 HydrophobicContact CB-CG2 4.05Å; I166-V171 HydrophobicContact CD1-CG2 4.29Å; I166-V171 HydrophobicContact CG1-CG2 4.18Å; Q169-V171 PolarHBondContact O-N 3.33Å |
| 172 | S | 86.6 | Confident | 74.5 | Confident | 36 Ų | 36 | 74.7 Ų | 74.7 | 25% | 0.252 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 134.5 | 178.1 | -174.7 | 0 | 0 | 0 | 0 | 110.5 | R103 H174 | R103-S172 PolarHBondContact N-O 2.89Å; R103-S172 PolarHBondContact O-N 2.87Å; S172-H174 PolarHBondContact OG-NE2 3.27Å |
| 173 | M | 88.7 | Confident | 73.1 | Confident | 3 Ų | 3 | 80.8 Ų | 80.8 | 2% | 0.015 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 144.8 | 175.6 | -51.5 | -161.3 | -69.7 | 0 | 0 | 110.5 | I100 L102 W156 M157 N160 G162 L164 | I100-M173 HydrophobicContact CG2-CB 3.98Å; I100-M173 HydrophobicContact CG2-SD 4.44Å; L102-M173 HydrophobicContact CD2-CB 4.28Å; L102-M173 HydrophobicContact CD2-CG 3.58Å; L102-M173 HydrophobicContact CD2-SD 4.02Å; W156-M173 HydrophobicContact CD2-SD 4.18Å; W156-M173 HydrophobicContact CE3-SD 3.71Å; W156-M173 HydrophobicContact CH2-SD 3.98Å; W156-M173 HydrophobicContact CZ2-SD 4.33Å; W156-M173 HydrophobicContact CZ3-SD 3.63Å; M157-M173 HydrophobicContact CE-CB 4.4Å; M157-M173 HydrophobicContact SD-CB 3.7Å; M157-M173 HydrophobicContact SD-CE 3.98Å; N160-M173 HydrophobicContact CB-CE 3.63Å; G162-M173 PolarHBondContact O-N 2.83Å; L164-M173 HydrophobicContact CD1-CG 4.11Å; L164-M173 HydrophobicContact CD1-SD 3.64Å; L164-M173 HydrophobicContact CD2-SD 4.2Å; L164-M173 HydrophobicContact CG-CE 4.47Å; L164-M173 HydrophobicContact CG-CG 4.08Å; L164-M173 HydrophobicContact CG-SD 3.64Å |
| 174 | H | 86.6 | Confident | 71.7 | Confident | 56 Ų | 56 | 83.7 Ų | 83.7 | 26% | 0.259 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 145.6 | 167.4 | -52 | -80.6 | 0 | 0 | 0 | 109 | I100 M101 S172 S176 | I100-H174 CarbonylContact C-O 3.46Å; I100-H174 WeakPolarHBondContact CA-O 3.2Å; I100-H174 WeakPolarHBondContact CG2-O 3.48Å; M101-H174 PolarHBondContact N-O 3.07Å; M101-H174 PolarHBondContact O-N 2.96Å; S172-H174 PolarHBondContact OG-NE2 3.27Å; H174-S176 PolarHBondContact O-N 3.31Å |
| 175 | Y | 86.1 | Confident | 71.2 | Confident | 24 Ų | 24 | 85.6 Ų | 85.6 | 9% | 0.094 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 136.5 | 159.7 | -61.4 | -69.9 | 0 | 0 | 0 | 108.4 | Q94 R95 P96 I100 T154 M157 | Q94-Y175 WeakPolarHBondContact O-CE2 3.38Å; R95-Y175 WeakPolarHBondContact O-CB 3.02Å; P96-Y175 HydrophobicContact CB-CE1 4.18Å; I100-Y175 HydrophobicContact CD1-CD1 4.27Å; I100-Y175 HydrophobicContact CD1-CE1 4.2Å; I100-Y175 HydrophobicContact CG1-CD1 3.92Å; I100-Y175 HydrophobicContact CG1-CE1 4.36Å; T154-Y175 WeakPolarHBondContact CA-OH 3.33Å; T154-Y175 WeakPolarHBondContact CB-OH 3.35Å; T154-Y175 PolarHBondContact OG1-OH 3.33Å; M157-Y175 HydrophobicContact CB-CE1 4.25Å; M157-Y175 HydrophobicContact CG-CE1 4.35Å; M157-Y175 HydrophobicContact CG-CE2 4Å |
| 176 | S | 76.3 | Confident | 71.2 | Confident | 12 Ų | 12 | 81.4 Ų | 81.4 | 8% | 0.084 | 41% | 0.408 | C | S | . | . | P | Polyproline II helix | trans | -97.3 | 139.9 | 168.9 | 63.9 | 0 | 0 | 0 | 0 | 109.6 | S97 I99 H174 | S97-S176 WeakPolarHBondContact CB-O 3.39Å; S97-S176 PolarHBondContact OG-O 3.5Å; I99-S176 WeakPolarHBondContact CB-OG 3.13Å; I99-S176 WeakPolarHBondContact CG2-OG 3.43Å; I99-S176 PolarHBondContact O-N 3.45Å; I99-S176 PolarHBondContact O-OG 2.98Å; H174-S176 PolarHBondContact O-N 3.31Å |
| 177 | D | 67.2 | Low | 71.2 | Confident | 119 Ų | 119 | 86.6 Ų | 86.6 | 64% | 0.636 | 44% | 0.435 | S | S | * | . | P | Polyproline II helix | trans | -52.5 | 134.7 | 170.4 | -70.2 | -68.1 | 0 | 0 | 0 | 109.9 | K179 | D177-K179 VanDerWaalsContact C-N 3.25Å; D177-K179 PolarHBondContact O-N 3.37Å |
| 178 | P | 60.2 | Low | 71.7 | Confident | 86 Ų | 86 | 81.3 Ų | 81.3 | 56% | 0.558 | 41% | 0.409 | S | S | * | . | trans | -65.4 | 91.9 | 174.5 | 27.8 | -33.7 | 0 | 0 | 0 | 108.6 | P180 | P178-P180 VanDerWaalsContact O-N 3.14Š| ||
| 179 | K | 56.8 | Low | 71.8 | Confident | 178 Ų | 178 | 76.6 Ų | 76.6 | 77% | 0.774 | 39% | 0.39 | S | S | * | . | trans | -47.1 | 119.5 | -175.3 | -158.2 | 174.2 | -164.1 | 170.7 | 0 | 109 | D177 R181 | D177-K179 VanDerWaalsContact C-N 3.25Å; D177-K179 PolarHBondContact O-N 3.37Å; K179-R181 PolarHBondContact O-N 3.32Å | ||
| 180 | P | 50.2 | Low | 71.6 | Confident | 100 Ų | 100 | 78.9 Ų | 78.9 | 65% | 0.649 | 40% | 0.399 | S | S | * | . | trans | -57.2 | 115.9 | -174.7 | 20.8 | -31.7 | 0 | 0 | 0 | 108.4 | P178 | P178-P180 VanDerWaalsContact O-N 3.14Š| ||
| 181 | R | 52.7 | Low | 71.5 | Confident | 179 Ų | 179 | 73.2 Ų | 73.2 | 68% | 0.675 | 38% | 0.382 | S | S | * | . | trans | -61.1 | 153 | 177.8 | -64.4 | -177.8 | 178.1 | -170.9 | -3.1 | 107.7 | K179 N183 | K179-R181 PolarHBondContact O-N 3.32Å; R181-N183 PolarHBondContact O-N 2.88Å | ||
| 182 | A | 47.2 | Very low | 71 | Confident | 79 Ų | 79 | 76 Ų | 76 | 65% | 0.653 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -70.4 | 31.9 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 183 | N | 49.2 | Very low | 70.8 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 75% | 0.749 | 41% | 0.407 | S | S | * | . | trans | -103 | 23 | 179.4 | -60.5 | -7.2 | 0 | 0 | 0 | 111.2 | R181 | R181-N183 PolarHBondContact O-N 2.88Š| ||
| 184 | E | 55.3 | Low | 70.6 | Confident | 97 Ų | 97 | 81 Ų | 81 | 45% | 0.453 | 43% | 0.431 | S | S | . | . | trans | -92.8 | -1.7 | 170.1 | -55.2 | -153.2 | 116.1 | 0 | 0 | 112.7 | K197 | E184-K197 HydrophobicContact CB-CB 4.16Å; E184-K197 HydrophobicContact CB-CD 3.85Å; E184-K197 HydrophobicContact CB-CG 4.12Å; E184-K197 VanDerWaalsContact O-CB 3.26Å; E184-K197 WeakPolarHBondContact O-CB 3.4Å; E184-K197 WeakPolarHBondContact O-CG 3.46Å; E184-K197 WeakPolarHBondContact OE1-CE 3.48Å; E184-K197 IonicContact OE1-NZ 2.61Å; E184-K197 PolarHBondContact OE1-NZ 2.91Å; E184-K197 WeakPolarHBondContact OE2-CD 3.31Å; E184-K197 WeakPolarHBondContact OE2-CE 3.35Å; E184-K197 IonicContact OE2-NZ 3.47Å; E184-K197 PolarHBondContact OE2-NZ 3.44Å | ||
| 185 | D | 74.1 | Confident | 70.3 | Confident | 42 Ų | 42 | 78.3 Ų | 78.3 | 23% | 0.225 | 42% | 0.419 | C | S | . | . | trans | -86.1 | 130.6 | 177.9 | -69.6 | -5.4 | 0 | 0 | 0 | 110.4 | Q194 N195 F196 K197 | D185-Q194 HydrophobicContact CB-CG 3.7Å; D185-N195 CarbonylContact C-O 3.55Å; D185-N195 VanDerWaalsContact CA-O 3.26Å; D185-N195 WeakPolarHBondContact CA-O 3.31Å; D185-N195 WeakPolarHBondContact CB-O 3.3Å; D185-F196 VanDerWaalsContact OD1-CA 3.24Å; D185-F196 WeakPolarHBondContact OD1-CA 3.47Å; D185-F196 WeakPolarHBondContact OD2-CD1 3.35Å; D185-K197 PolarHBondContact OD1-N 3.48Å; D185-K197 VanDerWaalsContact OD1-N 3.08Å | ||
| 186 | W | 80.4 | Confident | 70 | Confident | 22 Ų | 22 | 82.6 Ų | 82.6 | 8% | 0.083 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 158 | -173.5 | 64.1 | -85.7 | 0 | 0 | 0 | 112.1 | C188 Q194 N195 R199 C202 K209 A212 | W186-C188 HydrophobicContact CE3-CB 4.41Å; W186-C188 HydrophobicContact CH2-CB 4.29Å; W186-C188 HydrophobicContact CZ3-CB 3.61Å; W186-Q194 CarbonylContact O-C 3.51Å; W186-N195 HydrophobicContact CD2-CB 4.36Å; W186-N195 VanDerWaalsContact CE2-ND2 3.34Å; W186-N195 HydrophobicContact CZ2-CB 4.43Å; W186-N195 WeakPolarHBondContact CZ2-ND2 3.33Å; W186-N195 PolarHBondContact N-O 3.12Å; W186-N195 PolarHBondContact O-N 3.16Å; W186-R199 WeakPolarHBondContact CZ2-O 3.22Å; W186-R199 PolarHBondContact NE1-O 3.14Å; W186-C202 HydrophobicContact CH2-CB 4.32Å; W186-K209 HydrophobicContact CD2-CB 4.34Å; W186-K209 HydrophobicContact CD2-CD 4.34Å; W186-K209 HydrophobicContact CD2-CG 3.83Å; W186-K209 HydrophobicContact CE3-CG 4.15Å; W186-K209 HydrophobicContact CG-CD 4.22Å; W186-K209 HydrophobicContact CG-CG 4.17Å; W186-K209 HydrophobicContact CH2-CB 3.96Å; W186-K209 HydrophobicContact CH2-CG 4.44Å; W186-K209 HydrophobicContact CZ2-CB 3.71Å; W186-K209 HydrophobicContact CZ2-CG 4.13Å; W186-K209 HydrophobicContact CZ3-CB 4.37Å; W186-K209 HydrophobicContact CZ3-CG 4.45Å; W186-A212 HydrophobicContact CE3-CB 4.07Å; W186-A212 HydrophobicContact CH2-CB 4.22Å; W186-A212 HydrophobicContact CZ3-CB 3.38Å |
| 187 | L | 80.8 | Confident | 70.1 | Confident | 116 Ų | 116 | 87.4 Ų | 87.4 | 61% | 0.607 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 123.3 | -178.1 | -66.4 | 156.8 | 0 | 0 | 0 | 109.2 | N189 V193 Q194 | L187-N189 PolarHBondContact O-N 3.48Å; L187-V193 WeakPolarHBondContact CA-O 3.24Å; L187-Q194 HydrophobicContact CD2-CB 3.9Å |
| 188 | C | 81.6 | Confident | 70.5 | Confident | 1 Ų | 1 | 92.7 Ų | 92.7 | 1% | 0.007 | 47% | 0.469 | C | S | . | . | trans | -74.9 | 122.3 | 171.5 | 148.6 | 0 | 0 | 0 | 0 | 110.1 | W186 K190 C191 G192 V193 C202 C205 A212 | W186-C188 HydrophobicContact CE3-CB 4.41Å; W186-C188 HydrophobicContact CH2-CB 4.29Å; W186-C188 HydrophobicContact CZ3-CB 3.61Å; C188-K190 PolarHBondContact O-N 2.96Å; C188-K190 PolarHBondContact SG-N 2.72Å; C188-C191 WeakPolarHBondContact CB-SG 3.26Å; C188-C191 PolarHBondContact O-N 3.31Å; C188-C191 PolarHBondContact SG-N 3.14Å; C188-C191 PolarHBondContact SG-SG 3.27Å; C188-G192 WeakPolarHBondContact O-CA 3.16Å; C188-G192 PolarHBondContact O-N 3.2Å; C188-V193 PolarHBondContact N-O 2.95Å; C188-C202 HydrophobicContact CB-CB 3.6Å; C188-C205 WeakPolarHBondContact CB-SG 3.34Å; C188-C205 WeakPolarHBondContact SG-CB 3.24Å; C188-C205 CovalentContact SG-SG 2.07Å; C188-C205 PolarHBondContact SG-SG 2.86Å; C188-A212 HydrophobicContact CB-CB 4.06Å | ||
| 189 | N | 76.9 | Confident | 71.2 | Confident | 87 Ų | 87 | 93.5 Ų | 93.5 | 47% | 0.465 | 46% | 0.461 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -26.7 | 176.7 | 60.9 | 6.5 | 0 | 0 | 0 | 113.9 | L187 E211 A212 | L187-N189 PolarHBondContact O-N 3.48Å; N189-E211 PolarHBondContact ND2-O 2.93Å; N189-E211 VanDerWaalsContact ND2-O 3.12Å; N189-A212 WeakPolarHBondContact ND2-CA 3.17Å; N189-A212 PolarHBondContact ND2-O 2.68Å; N189-A212 VanDerWaalsContact ND2-O 3.12Å; N189-A212 WeakPolarHBondContact OD1-CA 3.25Å |
| 190 | K | 73.6 | Confident | 72.3 | Confident | 127 Ų | 127 | 92.5 Ų | 92.5 | 55% | 0.552 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -40.3 | 177.5 | -41.1 | -158.8 | -163.1 | 178.5 | 0 | 115.8 | C188 C205 V207 E211 | C188-K190 PolarHBondContact O-N 2.96Å; C188-K190 PolarHBondContact SG-N 2.72Å; K190-C205 HydrophobicContact CB-CB 4.17Å; K190-V207 HydrophobicContact CB-CG2 4.31Å; K190-V207 HydrophobicContact CD-CG2 3.64Å; K190-V207 HydrophobicContact CG-CG2 3.97Å; K190-E211 WeakPolarHBondContact CE-OE1 3.45Å; K190-E211 IonicContact NZ-OE1 3.83Å; K190-E211 PolarHBondContact NZ-OE1 3.13Å |
| 191 | C | 82.4 | Confident | 74.1 | Confident | 34 Ų | 34 | 93.8 Ų | 93.8 | 23% | 0.23 | 46% | 0.455 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -18.4 | 178.9 | 54.9 | 0 | 0 | 0 | 0 | 113.1 | C188 V193 C202 K204 C205 | C188-C191 WeakPolarHBondContact CB-SG 3.26Å; C188-C191 PolarHBondContact O-N 3.31Å; C188-C191 PolarHBondContact SG-N 3.14Å; C188-C191 PolarHBondContact SG-SG 3.27Å; C191-V193 HydrophobicContact CB-CG1 4.18Å; C191-V193 HydrophobicContact CB-CG2 4.42Å; C191-V193 WeakPolarHBondContact O-CG1 3.27Å; C191-V193 PolarHBondContact O-N 3.5Å; C191-V193 VanDerWaalsContact O-N 3.09Å; C191-V193 VanDerWaalsContact SG-CG2 3.55Å; C191-C202 WeakPolarHBondContact CB-SG 3.14Å; C191-C202 WeakPolarHBondContact SG-CB 3.49Å; C191-C202 CovalentContact SG-SG 2.1Å; C191-C202 PolarHBondContact SG-SG 3.34Å; C191-K204 HydrophobicContact CB-CB 4.26Å; C191-C205 HydrophobicContact CB-CB 3.52Å; C191-C205 PolarHBondContact SG-SG 2.94Å |
| 192 | G | 78.3 | Confident | 75.7 | Confident | 57 Ų | 57 | 85.4 Ų | 85.4 | 59% | 0.588 | 42% | 0.423 | S | S | * | . | trans | 66.8 | -1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C188 | C188-G192 WeakPolarHBondContact O-CA 3.16Å; C188-G192 PolarHBondContact O-N 3.2Å | ||
| 193 | V | 82.9 | Confident | 77.5 | Confident | 33 Ų | 33 | 87.3 Ų | 87.3 | 20% | 0.2 | 42% | 0.417 | C | S | . | . | trans | -88.3 | 147.6 | -175.7 | -41 | 0 | 0 | 0 | 0 | 111.8 | L187 C188 C191 C202 F203 K204 | L187-V193 WeakPolarHBondContact CA-O 3.24Å; C188-V193 PolarHBondContact N-O 2.95Å; C191-V193 HydrophobicContact CB-CG1 4.18Å; C191-V193 HydrophobicContact CB-CG2 4.42Å; C191-V193 WeakPolarHBondContact O-CG1 3.27Å; C191-V193 PolarHBondContact O-N 3.5Å; C191-V193 VanDerWaalsContact O-N 3.09Å; C191-V193 VanDerWaalsContact SG-CG2 3.55Å; V193-C202 WeakPolarHBondContact CG2-SG 3.43Å; V193-F203 HydrophobicContact CB-CE1 3.97Å; V193-F203 HydrophobicContact CB-CZ 4.08Å; V193-F203 HydrophobicContact CG1-CZ 4.4Å; V193-F203 HydrophobicContact CG2-CD1 3.77Å; V193-F203 HydrophobicContact CG2-CE1 3.23Å; V193-F203 HydrophobicContact CG2-CZ 3.68Å; V193-K204 HydrophobicContact CG1-CD 4.46Å | ||
| 194 | Q | 82.7 | Confident | 78.9 | Confident | 111 Ų | 111 | 87.3 Ų | 87.3 | 52% | 0.519 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 134.6 | 170.9 | -173.7 | 175 | 11.4 | 0 | 0 | 110.3 | D185 W186 L187 F203 | D185-Q194 HydrophobicContact CB-CG 3.7Å; W186-Q194 CarbonylContact O-C 3.51Å; L187-Q194 HydrophobicContact CD2-CB 3.9Å; Q194-F203 WeakPolarHBondContact O-CE1 3.32Å |
| 195 | N | 80.9 | Confident | 80.3 | Confident | 1 Ų | 1 | 84.4 Ų | 84.4 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 135.6 | -171.8 | -169.7 | 36.2 | 0 | 0 | 0 | 111 | D185 W186 R199 K201 C202 | D185-N195 CarbonylContact C-O 3.55Å; D185-N195 VanDerWaalsContact CA-O 3.26Å; D185-N195 WeakPolarHBondContact CA-O 3.31Å; D185-N195 WeakPolarHBondContact CB-O 3.3Å; W186-N195 HydrophobicContact CD2-CB 4.36Å; W186-N195 VanDerWaalsContact CE2-ND2 3.34Å; W186-N195 HydrophobicContact CZ2-CB 4.43Å; W186-N195 WeakPolarHBondContact CZ2-ND2 3.33Å; W186-N195 PolarHBondContact N-O 3.12Å; W186-N195 PolarHBondContact O-N 3.16Å; N195-R199 WeakPolarHBondContact ND2-CB 3.26Å; N195-R199 WeakPolarHBondContact OD1-CD 3.45Å; N195-R199 PolarHBondContact OD1-NH1 2.85Å; N195-K201 PolarHBondContact ND2-O 3.47Å; N195-C202 WeakPolarHBondContact ND2-CA 3.37Å |
| 196 | F | 80.7 | Confident | 80.6 | Confident | 114 Ų | 114 | 86.5 Ų | 86.5 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | trans | -58.3 | 140 | -172.2 | -62.2 | -63 | 0 | 0 | 0 | 113 | D185 R198 R199 | D185-F196 VanDerWaalsContact OD1-CA 3.24Å; D185-F196 WeakPolarHBondContact OD1-CA 3.47Å; D185-F196 WeakPolarHBondContact OD2-CD1 3.35Å; F196-R198 PolarHBondContact O-N 3.25Å; F196-R199 PolarHBondContact O-N 3Å | ||
| 197 | K | 76.9 | Confident | 80.7 | Confident | 112 Ų | 112 | 86.1 Ų | 86.1 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -41.6 | -40.2 | 178.5 | -163.1 | -166.9 | -156.3 | 173.9 | 0 | 114.4 | E184 D185 R199 | E184-K197 HydrophobicContact CB-CB 4.16Å; E184-K197 HydrophobicContact CB-CD 3.85Å; E184-K197 HydrophobicContact CB-CG 4.12Å; E184-K197 VanDerWaalsContact O-CB 3.26Å; E184-K197 WeakPolarHBondContact O-CB 3.4Å; E184-K197 WeakPolarHBondContact O-CG 3.46Å; E184-K197 WeakPolarHBondContact OE1-CE 3.48Å; E184-K197 IonicContact OE1-NZ 2.61Å; E184-K197 PolarHBondContact OE1-NZ 2.91Å; E184-K197 WeakPolarHBondContact OE2-CD 3.31Å; E184-K197 WeakPolarHBondContact OE2-CE 3.35Å; E184-K197 IonicContact OE2-NZ 3.47Å; E184-K197 PolarHBondContact OE2-NZ 3.44Å; D185-K197 PolarHBondContact OD1-N 3.48Å; D185-K197 VanDerWaalsContact OD1-N 3.08Å; K197-R199 VanDerWaalsContact C-N 3.3Å; K197-R199 PolarHBondContact O-N 3.39Å |
| 198 | R | 76.1 | Confident | 80.8 | Confident | 230 Ų | 230 | 82.7 Ų | 82.7 | 87% | 0.868 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.7 | -7.6 | -178.4 | -66.3 | -175.7 | -69.3 | 140.4 | -1.9 | 115.2 | F196 | F196-R198 PolarHBondContact O-N 3.25Š|
| 199 | R | 76 | Confident | 80.6 | Confident | 103 Ų | 103 | 86.1 Ų | 86.1 | 39% | 0.389 | 42% | 0.418 | S | S | . | . | trans | -98.2 | 119.8 | 176.8 | -68.4 | -145.2 | -167.2 | 101.9 | -7 | 109.8 | W186 N195 F196 K197 K201 | W186-R199 WeakPolarHBondContact CZ2-O 3.22Å; W186-R199 PolarHBondContact NE1-O 3.14Å; N195-R199 WeakPolarHBondContact ND2-CB 3.26Å; N195-R199 WeakPolarHBondContact OD1-CD 3.45Å; N195-R199 PolarHBondContact OD1-NH1 2.85Å; F196-R199 PolarHBondContact O-N 3Å; K197-R199 VanDerWaalsContact C-N 3.3Å; K197-R199 PolarHBondContact O-N 3.39Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 2.81Å | ||
| 200 | E | 79.6 | Confident | 80.5 | Confident | 158 Ų | 158 | 85.9 Ų | 85.9 | 74% | 0.738 | 42% | 0.423 | S | S | * | . | S | Bend | trans | -82.8 | -1.1 | 177 | -60.3 | -179.6 | 154.4 | 0 | 0 | 113.3 | P208 K209 | E200-P208 CarbonylContact O-C 3.58Å; E200-P208 VanDerWaalsContact O-CA 3.24Å; E200-P208 WeakPolarHBondContact O-CA 3.4Å; E200-K209 PolarHBondContact O-N 3.01Å |
| 201 | K | 87 | Confident | 80.5 | Confident | 127 Ų | 127 | 83.3 Ų | 83.3 | 55% | 0.552 | 41% | 0.413 | S | S | * | . | B | Isolated β-bridge | trans | -138.8 | 142.1 | 179.2 | -59.6 | -176 | -176.5 | -177.3 | 0 | 110.2 | N195 R199 F203 S206 V207 P208 | N195-K201 PolarHBondContact ND2-O 3.47Å; R199-K201 VanDerWaalsContact C-N 3.26Å; R199-K201 PolarHBondContact O-N 2.81Å; K201-F203 PolarHBondContact O-N 2.62Å; K201-S206 WeakPolarHBondContact CB-O 3.38Å; K201-V207 WeakPolarHBondContact CA-O 3.46Å; K201-P208 HydrophobicContact CG-CB 4.45Å |
| 202 | C | 86.1 | Confident | 79.7 | Confident | 3 Ų | 3 | 82.1 Ų | 82.1 | 2% | 0.02 | 41% | 0.406 | C | S | . | . | trans | -61.6 | 135.9 | 176.6 | 174.8 | 0 | 0 | 0 | 0 | 109.7 | W186 C188 C191 V193 N195 K204 C205 S206 V207 | W186-C202 HydrophobicContact CH2-CB 4.32Å; C188-C202 HydrophobicContact CB-CB 3.6Å; C191-C202 WeakPolarHBondContact CB-SG 3.14Å; C191-C202 WeakPolarHBondContact SG-CB 3.49Å; C191-C202 CovalentContact SG-SG 2.1Å; C191-C202 PolarHBondContact SG-SG 3.34Å; V193-C202 WeakPolarHBondContact CG2-SG 3.43Å; N195-C202 WeakPolarHBondContact ND2-CA 3.37Å; C202-K204 PolarHBondContact O-N 3.07Å; C202-K204 PolarHBondContact SG-N 2.84Å; C202-C205 HydrophobicContact CB-CB 4.16Å; C202-C205 WeakPolarHBondContact CB-SG 3.35Å; C202-C205 PolarHBondContact SG-N 2.84Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C202-S206 VanDerWaalsContact O-CA 3.29Å; C202-S206 WeakPolarHBondContact O-CA 3.45Å; C202-S206 PolarHBondContact O-N 2.92Å; C202-V207 PolarHBondContact N-O 3.44Å | ||
| 203 | F | 85 | Confident | 78.8 | Confident | 118 Ų | 118 | 84.9 Ų | 84.9 | 52% | 0.518 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -3 | 176 | 77.5 | -95.8 | 0 | 0 | 0 | 114.6 | V193 Q194 K201 | V193-F203 HydrophobicContact CB-CE1 3.97Å; V193-F203 HydrophobicContact CB-CZ 4.08Å; V193-F203 HydrophobicContact CG1-CZ 4.4Å; V193-F203 HydrophobicContact CG2-CD1 3.77Å; V193-F203 HydrophobicContact CG2-CE1 3.23Å; V193-F203 HydrophobicContact CG2-CZ 3.68Å; Q194-F203 WeakPolarHBondContact O-CE1 3.32Å; K201-F203 PolarHBondContact O-N 2.62Å |
| 204 | K | 80.4 | Confident | 77.2 | Confident | 141 Ų | 141 | 89.1 Ų | 89.1 | 61% | 0.613 | 42% | 0.424 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.3 | -37.9 | -177.1 | -166 | 166 | -175.5 | 174.8 | 0 | 115.8 | C191 V193 C202 | C191-K204 HydrophobicContact CB-CB 4.26Å; V193-K204 HydrophobicContact CG1-CD 4.46Å; C202-K204 PolarHBondContact O-N 3.07Å; C202-K204 PolarHBondContact SG-N 2.84Å |
| 205 | C | 83.4 | Confident | 75.1 | Confident | 35 Ų | 35 | 93.2 Ų | 93.2 | 24% | 0.236 | 44% | 0.44 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86 | -15 | 170.1 | 68.3 | 0 | 0 | 0 | 0 | 112.5 | C188 K190 C191 C202 V207 | C188-C205 WeakPolarHBondContact CB-SG 3.34Å; C188-C205 WeakPolarHBondContact SG-CB 3.24Å; C188-C205 CovalentContact SG-SG 2.07Å; C188-C205 PolarHBondContact SG-SG 2.86Å; K190-C205 HydrophobicContact CB-CB 4.17Å; C191-C205 HydrophobicContact CB-CB 3.52Å; C191-C205 PolarHBondContact SG-SG 2.94Å; C202-C205 HydrophobicContact CB-CB 4.16Å; C202-C205 WeakPolarHBondContact CB-SG 3.35Å; C202-C205 PolarHBondContact SG-N 2.84Å; C202-C205 VanDerWaalsContact SG-SG 3.61Å; C205-V207 HydrophobicContact CB-CB 4.34Å; C205-V207 HydrophobicContact CB-CG2 3.76Å; C205-V207 PolarHBondContact O-N 3.43Å; C205-V207 WeakPolarHBondContact SG-CB 3.28Å; C205-V207 WeakPolarHBondContact SG-CG2 3.4Å |
| 206 | S | 80.6 | Confident | 72.8 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 61% | 0.608 | 48% | 0.477 | S | S | * | . | trans | 55.8 | -9.2 | -169.8 | -61.7 | 0 | 0 | 0 | 0 | 117 | K201 C202 | K201-S206 WeakPolarHBondContact CB-O 3.38Å; C202-S206 VanDerWaalsContact O-CA 3.29Å; C202-S206 WeakPolarHBondContact O-CA 3.45Å; C202-S206 PolarHBondContact O-N 2.92Å | ||
| 207 | V | 83.1 | Confident | 70.6 | Confident | 13 Ų | 13 | 100 Ų | 100 | 8% | 0.079 | 49% | 0.487 | C | S | . | . | trans | -50.4 | 132.8 | 172.2 | -179.6 | 0 | 0 | 0 | 0 | 110 | K190 K201 C202 C205 E211 A212 | K190-V207 HydrophobicContact CB-CG2 4.31Å; K190-V207 HydrophobicContact CD-CG2 3.64Å; K190-V207 HydrophobicContact CG-CG2 3.97Å; K201-V207 WeakPolarHBondContact CA-O 3.46Å; C202-V207 PolarHBondContact N-O 3.44Å; C205-V207 HydrophobicContact CB-CB 4.34Å; C205-V207 HydrophobicContact CB-CG2 3.76Å; C205-V207 PolarHBondContact O-N 3.43Å; C205-V207 WeakPolarHBondContact SG-CB 3.28Å; C205-V207 WeakPolarHBondContact SG-CG2 3.4Å; V207-E211 HydrophobicContact CG1-CB 3.68Å; V207-E211 HydrophobicContact CG1-CG 3.9Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.46Å; V207-A212 HydrophobicContact CG1-CB 4.31Å | ||
| 208 | P | 81.6 | Confident | 68.6 | Low | 44 Ų | 44 | 103.9 Ų | 103.9 | 29% | 0.286 | 51% | 0.507 | S | S | . | . | B | Isolated β-bridge | trans | -66.6 | 152.3 | 175.3 | 29.3 | -34.7 | 0 | 0 | 0 | 111.6 | E200 K201 S210 E211 A212 | E200-P208 CarbonylContact O-C 3.58Å; E200-P208 VanDerWaalsContact O-CA 3.24Å; E200-P208 WeakPolarHBondContact O-CA 3.4Å; K201-P208 HydrophobicContact CG-CB 4.45Å; P208-S210 PolarHBondContact O-N 3.18Å; P208-E211 WeakPolarHBondContact CD-OE2 3.47Å; P208-E211 HydrophobicContact CG-CB 3.86Å; P208-E211 PolarHBondContact O-N 3.45Å; P208-E211 VanDerWaalsContact O-N 3.13Å; P208-A212 PolarHBondContact O-N 3.35Å |
| 209 | K | 79.3 | Confident | 66.4 | Low | 73 Ų | 73 | 100.9 Ų | 100.9 | 32% | 0.317 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -53.9 | -39.6 | -178.5 | -175.8 | -174.7 | 165.3 | -164.5 | 0 | 111.9 | W186 E200 A212 E213 | W186-K209 HydrophobicContact CD2-CB 4.34Å; W186-K209 HydrophobicContact CD2-CD 4.34Å; W186-K209 HydrophobicContact CD2-CG 3.83Å; W186-K209 HydrophobicContact CE3-CG 4.15Å; W186-K209 HydrophobicContact CG-CD 4.22Å; W186-K209 HydrophobicContact CG-CG 4.17Å; W186-K209 HydrophobicContact CH2-CB 3.96Å; W186-K209 HydrophobicContact CH2-CG 4.44Å; W186-K209 HydrophobicContact CZ2-CB 3.71Å; W186-K209 HydrophobicContact CZ2-CG 4.13Å; W186-K209 HydrophobicContact CZ3-CB 4.37Å; W186-K209 HydrophobicContact CZ3-CG 4.45Å; E200-K209 PolarHBondContact O-N 3.01Å; K209-A212 CarbonylContact O-C 3.55Å; K209-A212 WeakPolarHBondContact O-CB 3.31Å; K209-A212 PolarHBondContact O-N 2.81Å; K209-E213 WeakPolarHBondContact CE-OE1 3.36Å; K209-E213 VanDerWaalsContact CE-OE2 3.28Å; K209-E213 WeakPolarHBondContact CE-OE2 3.15Å; K209-E213 HydrophobicContact CG-CG 4.43Å; K209-E213 IonicContact NZ-OE1 3.96Å; K209-E213 PolarHBondContact NZ-OE1 3.19Å; K209-E213 IonicContact NZ-OE2 3.96Å; K209-E213 WeakPolarHBondContact O-CB 3.49Å; K209-E213 WeakPolarHBondContact O-CG 3.27Å; K209-E213 PolarHBondContact O-N 3.35Å |
| 210 | S | 74.7 | Confident | 64.2 | Low | 82 Ų | 82 | 102.7 Ų | 102.7 | 57% | 0.573 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -58.4 | -50.7 | 176.2 | 47.1 | 0 | 0 | 0 | 0 | 113.2 | P208 A212 E213 L214 | P208-S210 PolarHBondContact O-N 3.18Å; S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 3.03Å; S210-E213 PolarHBondContact O-N 3.43Å; S210-E213 VanDerWaalsContact O-N 3.12Å; S210-L214 PolarHBondContact O-N 2.92Å; S210-L214 VanDerWaalsContact O-N 3.09Å |
| 211 | E | 72.9 | Confident | 61.8 | Low | 73 Ų | 73 | 106.1 Ų | 106.1 | 34% | 0.341 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.9 | -26.8 | 177.1 | -169.7 | -168.3 | 169 | 0 | 0 | 111.9 | N189 K190 V207 P208 L214 | N189-E211 PolarHBondContact ND2-O 2.93Å; N189-E211 VanDerWaalsContact ND2-O 3.12Å; K190-E211 WeakPolarHBondContact CE-OE1 3.45Å; K190-E211 IonicContact NZ-OE1 3.83Å; K190-E211 PolarHBondContact NZ-OE1 3.13Å; V207-E211 HydrophobicContact CG1-CB 3.68Å; V207-E211 HydrophobicContact CG1-CG 3.9Å; V207-E211 WeakPolarHBondContact CG1-OE2 3.46Å; P208-E211 WeakPolarHBondContact CD-OE2 3.47Å; P208-E211 HydrophobicContact CG-CB 3.86Å; P208-E211 PolarHBondContact O-N 3.45Å; P208-E211 VanDerWaalsContact O-N 3.13Å; E211-L214 HydrophobicContact CG-CD1 4.43Å |
| 212 | A | 65.3 | Low | 59 | Low | 10 Ų | 10 | 107.7 Ų | 107.7 | 8% | 0.083 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -74.5 | -22.5 | 171 | 0 | 0 | 0 | 0 | 0 | 114.7 | W186 C188 N189 V207 P208 K209 S210 | W186-A212 HydrophobicContact CE3-CB 4.07Å; W186-A212 HydrophobicContact CH2-CB 4.22Å; W186-A212 HydrophobicContact CZ3-CB 3.38Å; C188-A212 HydrophobicContact CB-CB 4.06Å; N189-A212 WeakPolarHBondContact ND2-CA 3.17Å; N189-A212 PolarHBondContact ND2-O 2.68Å; N189-A212 VanDerWaalsContact ND2-O 3.12Å; N189-A212 WeakPolarHBondContact OD1-CA 3.25Å; V207-A212 HydrophobicContact CG1-CB 4.31Å; P208-A212 PolarHBondContact O-N 3.35Å; K209-A212 CarbonylContact O-C 3.55Å; K209-A212 WeakPolarHBondContact O-CB 3.31Å; K209-A212 PolarHBondContact O-N 2.81Å; S210-A212 VanDerWaalsContact C-N 3.25Å; S210-A212 PolarHBondContact O-N 3.03Å |
| 213 | E | 58.6 | Low | 56.3 | Low | 115 Ų | 115 | 114.4 Ų | 114.4 | 54% | 0.537 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -93.5 | -8.7 | 175.6 | -73.8 | 175.5 | 150.4 | 0 | 0 | 112.6 | K209 S210 K215 | K209-E213 WeakPolarHBondContact CE-OE1 3.36Å; K209-E213 VanDerWaalsContact CE-OE2 3.28Å; K209-E213 WeakPolarHBondContact CE-OE2 3.15Å; K209-E213 HydrophobicContact CG-CG 4.43Å; K209-E213 IonicContact NZ-OE1 3.96Å; K209-E213 PolarHBondContact NZ-OE1 3.19Å; K209-E213 IonicContact NZ-OE2 3.96Å; K209-E213 WeakPolarHBondContact O-CB 3.49Å; K209-E213 WeakPolarHBondContact O-CG 3.27Å; K209-E213 PolarHBondContact O-N 3.35Å; S210-E213 PolarHBondContact O-N 3.43Å; S210-E213 VanDerWaalsContact O-N 3.12Å; E213-K215 PolarHBondContact O-N 3.09Å |
| 214 | L | 51.1 | Low | 54 | Low | 122 Ų | 122 | 114.7 Ų | 114.7 | 64% | 0.639 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -62.7 | 119.2 | 168.9 | -72.6 | 178.1 | 0 | 0 | 0 | 110.4 | S210 E211 L216 | S210-L214 PolarHBondContact O-N 2.92Å; S210-L214 VanDerWaalsContact O-N 3.09Å; E211-L214 HydrophobicContact CG-CD1 4.43Å; L214-L216 PolarHBondContact O-N 3.08Å |
| 215 | K | 38.6 | Very low | 51.7 | Low | 196 Ų | 196 | 114.4 Ų | 114.4 | 85% | 0.852 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 122.9 | -176.1 | -70.4 | -175.8 | 176.3 | -176.1 | 0 | 111.8 | E213 | E213-K215 PolarHBondContact O-N 3.09Š|
| 216 | L | 30.9 | Very low | 49.2 | Very low | 150 Ų | 150 | 115.9 Ų | 115.9 | 79% | 0.785 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 137.7 | 153.7 | -132.5 | 147 | 0 | 0 | 0 | 108.6 | L214 Q218 | L214-L216 PolarHBondContact O-N 3.08Å; L216-Q218 PolarHBondContact O-N 2.97Å |
| 217 | P | 34.9 | Very low | 46.8 | Very low | 107 Ų | 107 | 117.8 Ų | 117.8 | 70% | 0.695 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -56 | 132.4 | 165.3 | -24.2 | 34.2 | 0 | 0 | 0 | 110.1 | L219 | P217-L219 VanDerWaalsContact C-N 3.35Å; P217-L219 PolarHBondContact O-N 2.81Å |
| 218 | Q | 35.8 | Very low | 44.3 | Very low | 194 Ų | 194 | 125 Ų | 125 | 91% | 0.907 | 66% | 0.657 | S | S | * | * | trans | -77.1 | 84.8 | 178.4 | -70.2 | 177 | -96 | 0 | 0 | 110.4 | L216 | L216-Q218 PolarHBondContact O-N 2.97Š| ||
| 219 | L | 30.1 | Very low | 41.9 | Very low | 167 Ų | 167 | 129.9 Ų | 129.9 | 87% | 0.874 | 67% | 0.674 | S | S | * | * | trans | -89.7 | 137.9 | 156.1 | -81.9 | -179.6 | 0 | 0 | 0 | 110.4 | P217 | P217-L219 VanDerWaalsContact C-N 3.35Å; P217-L219 PolarHBondContact O-N 2.81Å | ||
| 220 | L | 29.7 | Very low | 39.5 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 74% | 0.743 | 69% | 0.693 | S | S | * | * | trans | -55.5 | 148.7 | 177.7 | -104.7 | 72.2 | 0 | 0 | 0 | 111.9 | E222 | L220-E222 HydrophobicContact CD2-CG 4.24Š| ||
| 221 | R | 29.5 | Very low | 37.3 | Very low | 230 Ų | 230 | 133.2 Ų | 133.2 | 87% | 0.868 | 70% | 0.701 | S | S | * | * | trans | -97.4 | 99.6 | 154.9 | -179.6 | -176.3 | -177.8 | 150.9 | 3.3 | 108.5 | ||||
| 222 | E | 27.7 | Very low | 35.4 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 75% | 0.748 | 72% | 0.721 | S | S | * | * | trans | -115.4 | 158.2 | 159.9 | -89.2 | -172.6 | 176.2 | 0 | 0 | 111.3 | L220 | L220-E222 HydrophobicContact CD2-CG 4.24Š| ||
| 223 | M | 30 | Very low | 33.8 | Very low | 144 Ų | 144 | 142.9 Ų | 142.9 | 71% | 0.709 | 76% | 0.76 | S | S | * | * | trans | -93.2 | 148.2 | 180 | -68.3 | -77.7 | -63.1 | 0 | 0 | 109.9 | V225 | M223-V225 HydrophobicContact CE-CG2 4.04Š| ||
| 224 | P | 36.1 | Very low | 32.4 | Very low | 124 Ų | 124 | 140.8 Ų | 140.8 | 81% | 0.805 | 77% | 0.769 | S | S | * | * | trans | -119.1 | 158.1 | 134.7 | -3.6 | 24 | 0 | 0 | 0 | 112.1 | ||||
| 225 | V | 32.6 | Very low | 31.5 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | trans | -125.1 | 121.4 | 172.8 | 173.8 | 0 | 0 | 0 | 0 | 109.4 | M223 | M223-V225 HydrophobicContact CE-CG2 4.04Š| ||
| 226 | G | 29.9 | Very low | 31.4 | Very low | 66 Ų | 66 | 142.2 Ų | 142.2 | 68% | 0.68 | 79% | 0.785 | S | S | * | * | trans | 121 | 138.7 | 145.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 227 | V | 30.6 | Very low | 31.4 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | 81.7 | 93.7 | 144.3 | -166.2 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 228 | Q | 30 | Very low | 31.5 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 59 | 156.5 | 136.2 | -60.2 | -168.8 | 92.6 | 0 | 0 | 120.1 | ||||
| 229 | K | 31.4 | Very low | 32.1 | Very low | 146 Ų | 146 | 140 Ų | 140 | 64% | 0.635 | 79% | 0.786 | S | S | * | * | cis | -148.2 | -152.1 | 4.6 | -137.3 | 171 | 158.7 | -91.6 | 0 | 111.2 | ||||
| 230 | E | 28.4 | Very low | 32 | Very low | 152 Ų | 152 | 138 Ų | 138 | 71% | 0.71 | 78% | 0.781 | S | S | * | * | trans | -55.9 | 161.1 | -176.8 | -54.7 | 99.2 | 157.8 | 0 | 0 | 115 | ||||
| 231 | G | 29.8 | Very low | 32.3 | Very low | 72 Ų | 72 | 136.3 Ų | 136.3 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | cis | 158.7 | 168.9 | -3.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 232 | A | 33.2 | Very low | 32.2 | Very low | 92 Ų | 92 | 135.5 Ų | 135.5 | 76% | 0.76 | 78% | 0.779 | S | S | * | * | trans | 71.5 | 122.3 | 168 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 233 | Q | 30.8 | Very low | 32.3 | Very low | 195 Ų | 195 | 136 Ų | 136 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | trans | 62.6 | 115.2 | 134.8 | -60.1 | 174.3 | 9.5 | 0 | 0 | 122.6 | ||||
| 234 | G | 30.4 | Very low | 32.8 | Very low | 70 Ų | 70 | 134.6 Ų | 134.6 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | 110.3 | 113.8 | 110.4 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 235 | L | 30.4 | Very low | 32.5 | Very low | 180 Ų | 180 | 134 Ų | 134 | 94% | 0.942 | 79% | 0.788 | S | S | * | * | trans | 68.7 | 148.9 | 145.8 | -56.3 | 174.6 | 0 | 0 | 0 | 121 | ||||
| 236 | L | 36.7 | Very low | 32.4 | Very low | 168 Ų | 168 | 131 Ų | 131 | 88% | 0.88 | 79% | 0.785 | S | S | * | * | trans | -86.6 | 154.6 | 168.3 | -60.5 | 169.3 | 0 | 0 | 0 | 109.8 | ||||
| 237 | P | 32.3 | Very low | 32.7 | Very low | 123 Ų | 123 | 134.5 Ų | 134.5 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | -152.2 | 169.9 | 93.7 | 41 | -23.8 | 0 | 0 | 0 | 117 | |||||
| 238 | L | 36.2 | Very low | 32.8 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -91.7 | 174.5 | 157.1 | -63.9 | 171.7 | 0 | 0 | 0 | 109.1 | ||||
| 239 | P | 48.3 | Very low | 32.9 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | -121.6 | -161.2 | 1.8 | 33.6 | -11.2 | 0 | 0 | 0 | 112.4 | ||||
| 240 | V | 28.1 | Very low | 33.4 | Very low | 126 Ų | 126 | 130.7 Ų | 130.7 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | -173.2 | 151.9 | 75.7 | 164.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 241 | S | 35.6 | Very low | 33.7 | Very low | 106 Ų | 106 | 129.3 Ų | 129.3 | 74% | 0.741 | 81% | 0.807 | S | S | * | * | trans | -100 | 143.8 | 173 | -36.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 242 | Y | 27.6 | Very low | 34.1 | Very low | 213 Ų | 213 | 128.7 Ų | 128.7 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -170.8 | 119.8 | 149.7 | -108.9 | -76 | 0 | 0 | 0 | 113.1 | ||||
| 243 | H | 29.7 | Very low | 34.3 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 78% | 0.782 | 81% | 0.807 | S | S | * | * | trans | 18.1 | 170.8 | 143.8 | -65.3 | -85.3 | 0 | 0 | 0 | 123.9 | ||||
| 244 | P | 41.7 | Very low | 34.1 | Very low | 116 Ų | 116 | 125.3 Ų | 125.3 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | cis | -134.7 | 169.1 | -1.9 | 26.1 | -1.6 | 0 | 0 | 0 | 118.2 | ||||
| 245 | A | 29.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 128.1 Ų | 128.1 | 91% | 0.909 | 80% | 0.8 | S | S | * | * | trans | 17.3 | 131.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 246 | G | 29.1 | Very low | 34.6 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 79% | 0.791 | S | S | * | * | trans | -152.6 | 154.4 | 156.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 247 | P | 36.5 | Very low | 34.5 | Very low | 139 Ų | 139 | 123.8 Ų | 123.8 | 90% | 0.903 | 78% | 0.778 | S | S | * | * | trans | -84.8 | 166.8 | -162.5 | 33.5 | -37 | 0 | 0 | 0 | 116 | ||||
| 248 | S | 32.3 | Very low | 34.8 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -83.1 | 138.2 | -167.5 | 56.8 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 249 | V | 33.3 | Very low | 35.5 | Very low | 129 Ų | 129 | 117.7 Ų | 117.7 | 78% | 0.782 | 75% | 0.753 | S | S | * | * | trans | -122.9 | 133.7 | 150.1 | 178.3 | 0 | 0 | 0 | 0 | 106.6 | P251 | V249-P251 WeakPolarHBondContact O-CD 3.4Š| ||
| 250 | P | 40.9 | Very low | 36 | Very low | 115 Ų | 115 | 117 Ų | 117 | 75% | 0.747 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 125.9 | -177.5 | 27.6 | -33.8 | 0 | 0 | 0 | 111.2 | ||
| 251 | P | 35.8 | Very low | 37.6 | Very low | 123 Ų | 123 | 112.7 Ų | 112.7 | 80% | 0.799 | 72% | 0.724 | S | S | * | * | P | Polyproline II helix | trans | -64 | 142.4 | 164.6 | -15.9 | 30.5 | 0 | 0 | 0 | 109.8 | V249 | V249-P251 WeakPolarHBondContact O-CD 3.4Š|
| 252 | G | 37.5 | Very low | 39.7 | Very low | 60 Ų | 60 | 109.3 Ų | 109.3 | 62% | 0.619 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 163.1 | 164.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A254 | G252-A254 PolarHBondContact O-N 2.86Å; G252-A254 VanDerWaalsContact O-N 3.16Å |
| 253 | P | 37.6 | Very low | 42.2 | Very low | 137 Ų | 137 | 101.7 Ų | 101.7 | 89% | 0.89 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -55.4 | 124.4 | 179.2 | 23.9 | -33.7 | 0 | 0 | 0 | 110.4 | ||
| 254 | A | 27.9 | Very low | 44.9 | Very low | 78 Ų | 78 | 94.8 Ų | 94.8 | 65% | 0.645 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 148 | -179 | 0 | 0 | 0 | 0 | 0 | 111.2 | G252 Q256 | G252-A254 PolarHBondContact O-N 2.86Å; G252-A254 VanDerWaalsContact O-N 3.16Å; A254-Q256 PolarHBondContact O-N 3.04Å; A254-Q256 VanDerWaalsContact O-N 3.09Å |
| 255 | P | 35.2 | Very low | 47.2 | Very low | 130 Ų | 130 | 89.3 Ų | 89.3 | 84% | 0.844 | 61% | 0.605 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 120 | 174.6 | 24.8 | -33.8 | 0 | 0 | 0 | 109.1 | ||
| 256 | Q | 34 | Very low | 50.1 | Low | 162 Ų | 162 | 84.9 Ų | 84.9 | 76% | 0.757 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 144.2 | -175.9 | -65.2 | -158.8 | 40 | 0 | 0 | 110.4 | A254 A258 | A254-Q256 PolarHBondContact O-N 3.04Å; A254-Q256 VanDerWaalsContact O-N 3.09Å; Q256-A258 PolarHBondContact O-N 3.12Å |
| 257 | P | 35.3 | Very low | 53 | Low | 94 Ų | 94 | 81.5 Ų | 81.5 | 61% | 0.61 | 53% | 0.531 | S | S | * | . | S | Bend | trans | -60.2 | 126.1 | -178.4 | 24.5 | -34.2 | 0 | 0 | 0 | 110 | D259 | P257-D259 PolarHBondContact O-N 2.81Š|
| 258 | A | 38.6 | Very low | 55.4 | Low | 91 Ų | 91 | 79.3 Ų | 79.3 | 75% | 0.752 | 51% | 0.505 | S | S | * | . | trans | -37.7 | 125.3 | -164.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q256 V260 | Q256-A258 PolarHBondContact O-N 3.12Å; A258-V260 PolarHBondContact O-N 3.47Å | ||
| 259 | D | 51.5 | Low | 58 | Low | 70 Ų | 70 | 77.9 Ų | 77.9 | 37% | 0.374 | 49% | 0.488 | S | S | . | . | trans | -70.4 | 115.5 | -178.1 | -155.8 | 8.5 | 0 | 0 | 0 | 109.2 | P257 A261 F344 | P257-D259 PolarHBondContact O-N 2.81Å; D259-A261 PolarHBondContact O-N 2.71Å; D259-F344 HydrophobicContact CB-CD2 4.45Å; D259-F344 WeakPolarHBondContact OD2-CB 3.08Å; D259-F344 WeakPolarHBondContact OD2-CD2 3.46Å; D259-F344 PolarHBondContact OD2-N 3.43Å | ||
| 260 | V | 58.8 | Low | 60.4 | Low | 103 Ų | 103 | 72 Ų | 72 | 62% | 0.624 | 45% | 0.452 | S | S | * | . | trans | -72 | 123.1 | -177.1 | 177.7 | 0 | 0 | 0 | 0 | 107.2 | A258 N262 | A258-V260 PolarHBondContact O-N 3.47Å; V260-N262 PolarHBondContact O-N 3.19Å; V260-N262 PolarHBondContact O-ND2 3.33Å | ||
| 261 | A | 62.2 | Low | 62.4 | Low | 35 Ų | 35 | 66.7 Ų | 66.7 | 29% | 0.289 | 42% | 0.418 | S | S | . | . | trans | -59.8 | 113.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | D259 I316 F344 | D259-A261 PolarHBondContact O-N 2.71Å; A261-I316 HydrophobicContact CB-CG2 3.83Å; A261-F344 HydrophobicContact CB-CZ 4.32Å | ||
| 262 | N | 78.3 | Confident | 64.5 | Low | 34 Ų | 34 | 63.2 Ų | 63.2 | 18% | 0.182 | 40% | 0.396 | C | S | . | . | trans | -116.6 | 157.4 | -177.1 | -81.4 | -79.2 | 0 | 0 | 0 | 110.7 | V260 T264 A319 F344 | V260-N262 PolarHBondContact O-N 3.19Å; V260-N262 PolarHBondContact O-ND2 3.33Å; N262-T264 PolarHBondContact O-N 3.05Å; N262-A319 WeakPolarHBondContact O-CB 3.49Å; N262-F344 HydrophobicContact CB-CD1 4.29Å; N262-F344 WeakPolarHBondContact O-CD1 3.43Å; N262-F344 WeakPolarHBondContact O-CE1 3.45Å | ||
| 263 | D | 81.3 | Confident | 66.4 | Low | 54 Ų | 54 | 67.4 Ų | 67.4 | 29% | 0.289 | 40% | 0.399 | S | S | . | . | S | Bend | trans | -71.7 | -12.6 | 176 | 68.7 | -14.6 | 0 | 0 | 0 | 112.7 | L313 I316 | D263-L313 PolarHBondContact O-N 3.37Å; D263-I316 HydrophobicContact CB-CG1 3.92Å |
| 264 | T | 86.8 | Confident | 68.7 | Low | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.147 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 124.5 | -172.3 | -56 | 0 | 0 | 0 | 0 | 109.1 | N262 F310 L311 A345 | N262-T264 PolarHBondContact O-N 3.05Å; T264-F310 HydrophobicContact CG2-CB 4Å; T264-F310 HydrophobicContact CG2-CD1 4.25Å; T264-L311 CarbonylContact C-O 3.59Å; T264-L311 VanDerWaalsContact CA-O 3.29Å; T264-L311 WeakPolarHBondContact CA-O 3.27Å; T264-A345 HydrophobicContact CG2-CB 3.73Å; T264-A345 VanDerWaalsContact O-CB 3.23Å; T264-A345 WeakPolarHBondContact O-CB 3.34Å; T264-A345 PolarHBondContact O-N 3.23Å |
| 265 | L | 89.4 | Confident | 71.5 | Confident | 1 Ų | 1 | 60.4 Ų | 60.4 | 1% | 0.005 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 154.2 | 168.8 | -58.6 | -177.7 | 0 | 0 | 0 | 110.1 | F310 L311 L313 A319 L322 L323 V342 E343 F344 | L265-F310 WeakPolarHBondContact O-CA 3.41Å; L265-L311 HydrophobicContact CB-CB 4.44Å; L265-L311 HydrophobicContact CB-CD2 4.46Å; L265-L311 HydrophobicContact CD1-CD2 4.37Å; L265-L311 PolarHBondContact N-O 3.25Å; L265-L311 PolarHBondContact O-N 3.08Å; L265-L313 HydrophobicContact CD1-CD1 4.44Å; L265-A319 HydrophobicContact CD2-CB 4.19Å; L265-A319 HydrophobicContact CG-CB 4.31Å; L265-L322 HydrophobicContact CD1-CB 4.36Å; L265-L322 HydrophobicContact CD1-CD2 4.27Å; L265-L322 HydrophobicContact CD1-CG 4.36Å; L265-L323 HydrophobicContact CD1-CB 4.28Å; L265-L323 HydrophobicContact CD2-CB 4.18Å; L265-L323 HydrophobicContact CD2-CD1 4.45Å; L265-V342 HydrophobicContact CB-CG1 4.43Å; L265-V342 HydrophobicContact CD1-CG1 4.08Å; L265-E343 WeakPolarHBondContact CA-O 3.27Å; L265-F344 HydrophobicContact CD2-CD1 3.49Å; L265-F344 VanDerWaalsContact CD2-CD1 3.49Å; L265-F344 HydrophobicContact CD2-CE1 3.78Å; L265-F344 HydrophobicContact CD2-CG 4.13Å |
| 266 | I | 90.3 | Very high | 73.9 | Confident | 16 Ų | 16 | 56.3 Ų | 56.3 | 8% | 0.082 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 122.1 | 167.5 | -171.6 | 174.6 | 0 | 0 | 0 | 109.9 | R268 F308 F310 E343 A345 | I266-R268 HydrophobicContact CD1-CG 4.2Å; I266-R268 HydrophobicContact CG1-CG 4.08Å; I266-F308 HydrophobicContact CD1-CB 4.44Å; I266-F308 HydrophobicContact CD1-CD2 4.22Å; I266-F308 HydrophobicContact CG1-CB 4.45Å; I266-F310 HydrophobicContact CB-CD1 4.18Å; I266-F310 HydrophobicContact CB-CE1 4.22Å; I266-F310 HydrophobicContact CD1-CD1 4.44Å; I266-F310 HydrophobicContact CD1-CE1 3.76Å; I266-F310 HydrophobicContact CD1-CZ 4.1Å; I266-F310 HydrophobicContact CG1-CD1 4.2Å; I266-F310 HydrophobicContact CG1-CE1 4.02Å; I266-E343 HydrophobicContact CG2-CB 3.97Å; I266-E343 PolarHBondContact N-O 3.39Å; I266-E343 PolarHBondContact O-N 3.35Å; I266-A345 HydrophobicContact CB-CB 4.22Å |
| 267 | L | 89.1 | Confident | 76.3 | Confident | 2 Ų | 2 | 55.7 Ų | 55.7 | 1% | 0.01 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 123.3 | 169.6 | -55.9 | 175.3 | 0 | 0 | 0 | 107.7 | L270 I279 L283 F308 A309 L311 I340 V342 | L267-L270 HydrophobicContact CB-CD1 4.4Å; L267-I279 HydrophobicContact CD1-CG2 3.65Å; L267-L283 HydrophobicContact CD1-CD1 4.2Å; L267-F308 CarbonylContact O-C 3.59Å; L267-F308 WeakPolarHBondContact O-CA 3.42Å; L267-F308 WeakPolarHBondContact O-CB 3.43Å; L267-A309 HydrophobicContact CB-CB 4.47Å; L267-A309 PolarHBondContact N-O 2.91Å; L267-A309 PolarHBondContact O-N 3.21Å; L267-L311 HydrophobicContact CD1-CD1 4.17Å; L267-I340 HydrophobicContact CB-CG2 4.2Å; L267-I340 HydrophobicContact CD2-CG2 4.14Å; L267-V342 HydrophobicContact CD2-CG1 4.04Å; L267-V342 HydrophobicContact CD2-CG2 3.91Å |
| 268 | R | 87.9 | Confident | 78.8 | Confident | 93 Ų | 93 | 52.4 Ų | 52.4 | 35% | 0.351 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 160.6 | 176.5 | -58.8 | -176.4 | -173.3 | 145 | 11.5 | 111.2 | I266 G307 F308 I340 V341 E343 | I266-R268 HydrophobicContact CD1-CG 4.2Å; I266-R268 HydrophobicContact CG1-CG 4.08Å; R268-G307 CarbonylContact C-O 3.45Å; R268-F308 HydrophobicContact CG-CB 4.44Å; R268-I340 WeakPolarHBondContact O-CA 3.31Å; R268-I340 WeakPolarHBondContact O-CG2 3.14Å; R268-V341 HydrophobicContact CB-CB 4.33Å; R268-V341 PolarHBondContact N-O 2.91Å; R268-V341 PolarHBondContact O-N 3.03Å; R268-E343 IonicContact CZ-OE1 2.75Å; R268-E343 IonicContact CZ-OE2 3.4Å; R268-E343 VanDerWaalsContact CZ-OE2 3.28Å; R268-E343 VanDerWaalsContact NH1-CD 3.34Å; R268-E343 IonicContact NH1-OE1 3.99Å; R268-E343 PolarHBondContact NH1-OE1 2.88Å; R268-E343 IonicContact NH1-OE2 3.36Å; R268-E343 PolarHBondContact NH1-OE2 3.31Å; R268-E343 IonicContact NH2-OE1 2.67Å; R268-E343 PolarHBondContact NH2-OE1 3.1Å; R268-E343 IonicContact NH2-OE2 2.67Å; R268-E343 PolarHBondContact NH2-OE2 3.06Å |
| 269 | N | 86.1 | Confident | 81 | Confident | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 26% | 0.26 | S | S | . | . | S | Bend | trans | 69.1 | 30 | -176 | -161.6 | 36.2 | 0 | 0 | 0 | 115 | G307 A339 | N269-G307 PolarHBondContact N-O 3.14Å; N269-A339 PolarHBondContact ND2-O 2.67Å |
| 270 | L | 85.1 | Confident | 82.6 | Confident | 6 Ų | 6 | 46.2 Ų | 46.2 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | trans | -65.7 | 153 | 171.9 | -66.7 | 171.3 | 0 | 0 | 0 | 111.9 | L267 T274 I279 L296 G307 A309 I340 | L267-L270 HydrophobicContact CB-CD1 4.4Å; L270-T274 HydrophobicContact CD2-CG2 4.42Å; L270-I279 HydrophobicContact CD1-CD1 3.85Å; L270-I279 HydrophobicContact CD2-CD1 4.11Å; L270-I279 HydrophobicContact CD2-CG1 4.14Å; L270-L296 HydrophobicContact CD1-CD1 3.83Å; L270-G307 PolarHBondContact N-O 2.92Å; L270-A309 HydrophobicContact CD1-CB 3.59Å; L270-I340 HydrophobicContact CD2-CD1 3.52Å; L270-I340 HydrophobicContact CD2-CG1 4.15Å | ||
| 271 | G | 81.6 | Confident | 83.8 | Confident | 3 Ų | 3 | 45.5 Ų | 45.5 | 3% | 0.031 | 25% | 0.25 | C | S | . | . | trans | -70.4 | 152.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | H273 T274 N305 | G271-H273 PolarHBondContact O-N 3.29Å; G271-T274 WeakPolarHBondContact CA-OG1 3.48Å; G271-T274 PolarHBondContact N-OG1 3.24Å; G271-T274 PolarHBondContact O-N 2.86Å; G271-T274 PolarHBondContact O-OG1 3.03Å; G271-N305 WeakPolarHBondContact O-CB 3.32Å; G271-N305 PolarHBondContact O-ND2 2.86Å | ||
| 272 | P | 79.4 | Confident | 84.8 | Confident | 51 Ų | 51 | 45 Ų | 45 | 33% | 0.331 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -22.3 | 179.1 | 26.4 | -34.1 | 0 | 0 | 0 | 113.3 | L304 N305 | P272-L304 HydrophobicContact CB-CB 4.45Å; P272-L304 HydrophobicContact CB-CD1 4.49Å; P272-N305 PolarHBondContact O-N 3.42Å; P272-N305 PolarHBondContact O-ND2 2.99Å |
| 273 | H | 79.3 | Confident | 85 | Confident | 147 Ų | 147 | 43.4 Ų | 43.4 | 68% | 0.681 | 24% | 0.237 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -108.9 | -5 | -178.9 | -57.9 | -65.9 | 0 | 0 | 0 | 114.4 | G271 T275 | G271-H273 PolarHBondContact O-N 3.29Å; H273-T275 PolarHBondContact O-N 3.39Å |
| 274 | T | 84.5 | Confident | 84.9 | Confident | 2 Ų | 2 | 43.8 Ų | 43.8 | 1% | 0.012 | 25% | 0.248 | C | C | . | . | trans | -54.8 | 122.6 | -178.1 | -49.1 | 0 | 0 | 0 | 0 | 111.8 | L270 G271 A278 I279 N305 I335 D336 | L270-T274 HydrophobicContact CD2-CG2 4.42Å; G271-T274 WeakPolarHBondContact CA-OG1 3.48Å; G271-T274 PolarHBondContact N-OG1 3.24Å; G271-T274 PolarHBondContact O-N 2.86Å; G271-T274 PolarHBondContact O-OG1 3.03Å; T274-A278 HydrophobicContact CG2-CB 3.98Å; T274-I279 HydrophobicContact CG2-CD1 4.4Å; T274-I279 HydrophobicContact CG2-CG1 3.92Å; T274-N305 PolarHBondContact N-ND2 3.15Å; T274-N305 VanDerWaalsContact N-ND2 3.16Å; T274-N305 PolarHBondContact O-ND2 2.9Å; T274-I335 HydrophobicContact CG2-CG2 3.65Å; T274-D336 WeakPolarHBondContact CA-OD2 3.49Å; T274-D336 WeakPolarHBondContact CB-OD2 3.43Å; T274-D336 WeakPolarHBondContact CG2-OD2 3.45Å; T274-D336 PolarHBondContact OG1-OD2 3.23Å | ||
| 275 | T | 86.7 | Confident | 84.4 | Confident | 66 Ų | 66 | 47.2 Ų | 47.2 | 41% | 0.405 | 27% | 0.271 | S | S | . | . | trans | -81.1 | 163.6 | 178.1 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | H273 E277 A278 I279 | H273-T275 PolarHBondContact O-N 3.39Å; T275-E277 PolarHBondContact O-N 2.65Å; T275-A278 PolarHBondContact O-N 3.42Å; T275-A278 PolarHBondContact OG1-N 2.83Å; T275-I279 PolarHBondContact O-N 3.35Å | ||
| 276 | V | 85.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 50.5 Ų | 50.5 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -60.9 | -36.6 | 169.7 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | A278 I279 L280 V294 L296 | V276-A278 PolarHBondContact O-N 2.91Å; V276-I279 WeakPolarHBondContact O-CB 3.47Å; V276-I279 PolarHBondContact O-N 3.12Å; V276-L280 HydrophobicContact CG1-CD1 4.08Å; V276-L280 HydrophobicContact CG1-CG 4.33Å; V276-L280 WeakPolarHBondContact O-CG 3.32Å; V276-L280 PolarHBondContact O-N 3.09Å; V276-V294 HydrophobicContact CG1-CB 4.03Å; V276-V294 HydrophobicContact CG1-CG1 4.07Å; V276-L296 HydrophobicContact CG2-CB 3.88Å; V276-L296 HydrophobicContact CG2-CD2 3.76Å |
| 277 | E | 85.8 | Confident | 83.2 | Confident | 149 Ų | 149 | 50.7 Ų | 50.7 | 70% | 0.696 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 174.6 | -67.1 | 149.9 | -154.6 | 0 | 0 | 112.7 | T275 I279 L280 S281 | T275-E277 PolarHBondContact O-N 2.65Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 2.84Å; E277-L280 PolarHBondContact O-N 3Å; E277-S281 VanDerWaalsContact O-CB 3.24Å; E277-S281 WeakPolarHBondContact O-CB 3.32Å; E277-S281 PolarHBondContact O-N 2.96Å |
| 278 | A | 86.3 | Confident | 82.6 | Confident | 25 Ų | 25 | 57.5 Ų | 57.5 | 21% | 0.207 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.6 | -38.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | T274 T275 V276 A282 I335 | T274-A278 HydrophobicContact CG2-CB 3.98Å; T275-A278 PolarHBondContact O-N 3.42Å; T275-A278 PolarHBondContact OG1-N 2.83Å; V276-A278 PolarHBondContact O-N 2.91Å; A278-A282 WeakPolarHBondContact O-CB 3.45Å; A278-A282 PolarHBondContact O-N 2.85Å; A278-A282 VanDerWaalsContact O-N 3.08Å; A278-I335 HydrophobicContact CB-CG2 4.11Å |
| 279 | I | 86 | Confident | 82 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 174.8 | -62.3 | 167.2 | 0 | 0 | 0 | 111 | L267 L270 T274 T275 V276 E277 L283 V294 L296 A309 I335 | L267-I279 HydrophobicContact CD1-CG2 3.65Å; L270-I279 HydrophobicContact CD1-CD1 3.85Å; L270-I279 HydrophobicContact CD2-CD1 4.11Å; L270-I279 HydrophobicContact CD2-CG1 4.14Å; T274-I279 HydrophobicContact CG2-CD1 4.4Å; T274-I279 HydrophobicContact CG2-CG1 3.92Å; T275-I279 PolarHBondContact O-N 3.35Å; V276-I279 WeakPolarHBondContact O-CB 3.47Å; V276-I279 PolarHBondContact O-N 3.12Å; E277-I279 VanDerWaalsContact C-N 3.33Å; E277-I279 PolarHBondContact O-N 2.84Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 WeakPolarHBondContact O-CB 3.23Å; I279-L283 VanDerWaalsContact O-CG 3.28Å; I279-L283 WeakPolarHBondContact O-CG 3.2Å; I279-L283 PolarHBondContact O-N 3.16Å; I279-V294 HydrophobicContact CD1-CG1 4.36Å; I279-V294 HydrophobicContact CG2-CG1 4.01Å; I279-L296 HydrophobicContact CD1-CD1 4.07Å; I279-L296 HydrophobicContact CD1-CD2 4.4Å; I279-A309 HydrophobicContact CD1-CB 4.38Å; I279-I335 HydrophobicContact CG1-CD1 4.32Å |
| 280 | L | 84.5 | Confident | 81.5 | Confident | 31 Ų | 31 | 53.2 Ų | 53.2 | 16% | 0.162 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 176.8 | -69.5 | 170.4 | 0 | 0 | 0 | 111.5 | V276 E277 A282 L283 A284 L289 P291 V294 | V276-L280 HydrophobicContact CG1-CD1 4.08Å; V276-L280 HydrophobicContact CG1-CG 4.33Å; V276-L280 WeakPolarHBondContact O-CG 3.32Å; V276-L280 PolarHBondContact O-N 3.09Å; E277-L280 PolarHBondContact O-N 3Å; L280-A282 PolarHBondContact O-N 3.16Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 PolarHBondContact O-N 2.95Å; L280-A284 WeakPolarHBondContact O-CB 3.32Å; L280-A284 PolarHBondContact O-N 2.88Å; L280-L289 HydrophobicContact CD2-CB 3.64Å; L280-P291 HydrophobicContact CD1-CB 4.03Å; L280-V294 HydrophobicContact CD2-CG2 3.82Å |
| 281 | S | 84.1 | Confident | 81 | Confident | 89 Ų | 89 | 57.3 Ų | 57.3 | 62% | 0.622 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61 | -44 | 179.3 | -174.6 | 0 | 0 | 0 | 0 | 112.3 | E277 L283 | E277-S281 VanDerWaalsContact O-CB 3.24Å; E277-S281 WeakPolarHBondContact O-CB 3.32Å; E277-S281 PolarHBondContact O-N 2.96Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact O-N 3.23Å |
| 282 | A | 82.1 | Confident | 80.7 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 20% | 0.198 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -69.6 | -21.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | A278 L280 L333 I335 | A278-A282 WeakPolarHBondContact O-CB 3.45Å; A278-A282 PolarHBondContact O-N 2.85Å; A278-A282 VanDerWaalsContact O-N 3.08Å; L280-A282 PolarHBondContact O-N 3.16Å; A282-L333 HydrophobicContact CB-CD1 4.42Å; A282-I335 HydrophobicContact CB-CD1 3.38Å; A282-I335 HydrophobicContact CB-CG1 3.61Å |
| 283 | L | 82.3 | Confident | 80.9 | Confident | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -104.4 | -16.8 | -178.5 | -65.6 | 178.5 | 0 | 0 | 0 | 113.9 | L267 I279 L280 S281 F286 A287 L289 L311 L326 L333 | L267-L283 HydrophobicContact CD1-CD1 4.2Å; I279-L283 HydrophobicContact CG2-CD1 3.89Å; I279-L283 WeakPolarHBondContact O-CB 3.23Å; I279-L283 VanDerWaalsContact O-CG 3.28Å; I279-L283 WeakPolarHBondContact O-CG 3.2Å; I279-L283 PolarHBondContact O-N 3.16Å; L280-L283 CarbonylContact O-C 3.58Å; L280-L283 PolarHBondContact O-N 2.95Å; S281-L283 VanDerWaalsContact C-N 3.27Å; S281-L283 PolarHBondContact O-N 3.23Å; L283-F286 PolarHBondContact O-N 3.28Å; L283-A287 PolarHBondContact O-N 3.47Å; L283-L289 HydrophobicContact CB-CD1 3.64Å; L283-L289 HydrophobicContact CD1-CD1 3.78Å; L283-L289 HydrophobicContact CG-CD1 4.37Å; L283-L311 HydrophobicContact CD1-CD1 3.4Å; L283-L326 HydrophobicContact CD2-CD1 3.64Å; L283-L326 HydrophobicContact CD2-CD2 3.89Å; L283-L326 HydrophobicContact CD2-CG 4.4Å; L283-L333 HydrophobicContact CD2-CD2 3.65Å |
| 284 | A | 79.3 | Confident | 81.2 | Confident | 61 Ų | 61 | 54.3 Ų | 54.3 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -49 | -39.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | L280 F286 | L280-A284 WeakPolarHBondContact O-CB 3.32Å; L280-A284 PolarHBondContact O-N 2.88Å; A284-F286 PolarHBondContact O-N 3.18Å |
| 285 | P | 76.6 | Confident | 81.4 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 63% | 0.63 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -7.9 | 176.5 | 29.1 | -35.4 | 0 | 0 | 0 | 114.2 | ||
| 286 | F | 77.9 | Confident | 81.4 | Confident | 69 Ų | 69 | 58.7 Ų | 58.7 | 30% | 0.303 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116.3 | -26.2 | -177.1 | -51.4 | -58.7 | 0 | 0 | 0 | 113.5 | L283 A284 L322 I325 L326 L329 L333 | L283-F286 PolarHBondContact O-N 3.28Å; A284-F286 PolarHBondContact O-N 3.18Å; F286-L322 HydrophobicContact CB-CD1 3.65Å; F286-I325 HydrophobicContact CB-CG2 4.25Å; F286-I325 HydrophobicContact CD1-CG2 3.63Å; F286-I325 HydrophobicContact CE1-CG2 4.28Å; F286-I325 HydrophobicContact CG-CG2 4.07Å; F286-L326 HydrophobicContact CD2-CD2 3.7Å; F286-L326 HydrophobicContact CE2-CD2 4.17Å; F286-L326 HydrophobicContact CG-CD2 4.21Å; F286-L329 HydrophobicContact CD2-CD1 4.37Å; F286-L329 HydrophobicContact CE1-CD1 4.09Å; F286-L329 HydrophobicContact CE1-CD2 3.87Å; F286-L329 HydrophobicContact CE2-CD1 3.66Å; F286-L329 HydrophobicContact CZ-CD1 3.49Å; F286-L329 VanDerWaalsContact CZ-CD1 3.49Å; F286-L329 HydrophobicContact CZ-CD2 3.85Å; F286-L329 HydrophobicContact CZ-CG 4.31Å; F286-L333 HydrophobicContact CE2-CD1 4.21Å |
| 287 | A | 77.1 | Confident | 81.6 | Confident | 21 Ų | 21 | 59.3 Ų | 59.3 | 17% | 0.174 | 35% | 0.351 | C | S | . | . | trans | -153.3 | 142.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | L283 L289 L322 | L283-A287 PolarHBondContact O-N 3.47Å; A287-L289 HydrophobicContact CB-CD1 4.49Å; A287-L289 HydrophobicContact CB-CD2 3.8Å; A287-L289 HydrophobicContact CB-CG 3.89Å; A287-L289 PolarHBondContact O-N 2.86Å; A287-L322 HydrophobicContact CB-CD1 4.05Å; A287-L322 HydrophobicContact CB-CD2 4.06Å | ||
| 288 | T | 75.6 | Confident | 81.6 | Confident | 144 Ų | 144 | 57.8 Ų | 57.8 | 88% | 0.883 | 34% | 0.342 | S | S | * | . | trans | -76.9 | 87.4 | 171.6 | 51.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 289 | L | 76.9 | Confident | 81.6 | Confident | 27 Ų | 27 | 58.3 Ų | 58.3 | 14% | 0.141 | 34% | 0.341 | C | S | . | . | trans | -99.3 | 135.9 | -175.3 | -58.5 | 178.5 | 0 | 0 | 0 | 112.6 | L280 L283 A287 L311 L313 | L280-L289 HydrophobicContact CD2-CB 3.64Å; L283-L289 HydrophobicContact CB-CD1 3.64Å; L283-L289 HydrophobicContact CD1-CD1 3.78Å; L283-L289 HydrophobicContact CG-CD1 4.37Å; A287-L289 HydrophobicContact CB-CD1 4.49Å; A287-L289 HydrophobicContact CB-CD2 3.8Å; A287-L289 HydrophobicContact CB-CG 3.89Å; A287-L289 PolarHBondContact O-N 2.86Å; L289-L311 HydrophobicContact CD1-CD1 3.72Å; L289-L311 HydrophobicContact CD1-CG 4.48Å; L289-L313 HydrophobicContact CD2-CD2 3.61Å | ||
| 290 | S | 75.6 | Confident | 81.4 | Confident | 61 Ų | 61 | 66.6 Ų | 66.6 | 43% | 0.427 | 38% | 0.377 | S | S | . | . | trans | -93.1 | 152.9 | 169.1 | -56.2 | 0 | 0 | 0 | 0 | 111 | S292 N293 | S290-S292 VanDerWaalsContact CB-OG 3.3Å; S290-S292 WeakPolarHBondContact CB-OG 3.44Å; S290-S292 PolarHBondContact O-N 3.01Å; S290-S292 VanDerWaalsContact O-N 3.15Å; S290-N293 VanDerWaalsContact O-CB 3.27Å; S290-N293 WeakPolarHBondContact O-CB 3.41Å; S290-N293 PolarHBondContact O-N 3.39Å | ||
| 291 | P | 73.3 | Confident | 81.3 | Confident | 92 Ų | 92 | 72.8 Ų | 72.8 | 60% | 0.597 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -60.6 | -24.8 | 178.7 | 23.3 | -33.8 | 0 | 0 | 0 | 113.8 | L280 N293 V294 | L280-P291 HydrophobicContact CD1-CB 4.03Å; P291-N293 PolarHBondContact O-N 2.79Å; P291-V294 PolarHBondContact O-N 3.36Å |
| 292 | S | 76.1 | Confident | 81.2 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 61% | 0.608 | 40% | 0.4 | S | S | * | . | G | 310 helix | trans | -55.6 | -27.9 | 169.8 | 48 | 0 | 0 | 0 | 0 | 114.1 | S290 | S290-S292 VanDerWaalsContact CB-OG 3.3Å; S290-S292 WeakPolarHBondContact CB-OG 3.44Å; S290-S292 PolarHBondContact O-N 3.01Å; S290-S292 VanDerWaalsContact O-N 3.15Å |
| 293 | N | 82.7 | Confident | 80.9 | Confident | 41 Ų | 41 | 78.1 Ų | 78.1 | 22% | 0.219 | 42% | 0.421 | C | S | . | . | G | 310 helix | trans | -85.7 | -17.1 | -170.9 | -60 | 11.2 | 0 | 0 | 0 | 111.6 | S290 P291 L311 Q312 | S290-N293 VanDerWaalsContact O-CB 3.27Å; S290-N293 WeakPolarHBondContact O-CB 3.41Å; S290-N293 PolarHBondContact O-N 3.39Å; P291-N293 PolarHBondContact O-N 2.79Å; N293-L311 CarbonylContact O-C 3.53Å; N293-L311 WeakPolarHBondContact O-CA 3.36Å; N293-Q312 VanDerWaalsContact CB-O 3.3Å; N293-Q312 WeakPolarHBondContact CB-O 3.3Å; N293-Q312 PolarHBondContact O-N 2.97Å |
| 294 | V | 87.4 | Confident | 80.8 | Confident | 10 Ų | 10 | 81.2 Ų | 81.2 | 6% | 0.061 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 104.8 | -173.3 | -177.1 | 0 | 0 | 0 | 0 | 110.9 | V276 I279 L280 P291 L296 L311 | V276-V294 HydrophobicContact CG1-CB 4.03Å; V276-V294 HydrophobicContact CG1-CG1 4.07Å; I279-V294 HydrophobicContact CD1-CG1 4.36Å; I279-V294 HydrophobicContact CG2-CG1 4.01Å; L280-V294 HydrophobicContact CD2-CG2 3.82Å; P291-V294 PolarHBondContact O-N 3.36Å; V294-L296 PolarHBondContact O-N 3.01Å; V294-L311 HydrophobicContact CG2-CD1 4.46Å |
| 295 | R | 86.9 | Confident | 81.2 | Confident | 135 Ų | 135 | 79 Ų | 79 | 51% | 0.509 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 85.5 | 175.7 | -57.9 | -178.6 | -168.2 | -118.3 | 3.5 | 110.2 | I297 A309 F310 | R295-I297 PolarHBondContact O-N 3.18Å; R295-A309 WeakPolarHBondContact O-CA 3.3Å; R295-F310 HydrophobicContact CB-CB 4.33Å; R295-F310 PolarHBondContact N-O 3.2Å; R295-F310 PolarHBondContact O-N 3.43Å |
| 296 | L | 88.5 | Confident | 81.4 | Confident | 25 Ų | 25 | 81.7 Ų | 81.7 | 13% | 0.131 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 118.2 | 175.1 | 178.8 | 57.6 | 0 | 0 | 0 | 110.9 | L270 V276 I279 V294 K298 N305 A309 | L270-L296 HydrophobicContact CD1-CD1 3.83Å; V276-L296 HydrophobicContact CG2-CB 3.88Å; V276-L296 HydrophobicContact CG2-CD2 3.76Å; I279-L296 HydrophobicContact CD1-CD1 4.07Å; I279-L296 HydrophobicContact CD1-CD2 4.4Å; V294-L296 PolarHBondContact O-N 3.01Å; L296-K298 PolarHBondContact O-N 3.49Å; L296-N305 HydrophobicContact CD1-CB 4.22Å; L296-N305 WeakPolarHBondContact CD2-OD1 3.47Å; L296-A309 HydrophobicContact CB-CB 4.37Å; L296-A309 HydrophobicContact CD1-CB 3.98Å |
| 297 | I | 88.7 | Confident | 81.5 | Confident | 56 Ų | 56 | 79.4 Ų | 79.4 | 29% | 0.287 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 115 | -178.3 | -56.8 | -51.6 | 0 | 0 | 0 | 109.9 | R295 R306 F308 F310 | R295-I297 PolarHBondContact O-N 3.18Å; I297-R306 HydrophobicContact CG2-CB 4.13Å; I297-R306 WeakPolarHBondContact O-CB 3.21Å; I297-R306 PolarHBondContact O-N 2.86Å; I297-F308 HydrophobicContact CB-CD2 4.18Å; I297-F308 HydrophobicContact CB-CE2 3.86Å; I297-F308 HydrophobicContact CB-CZ 4.27Å; I297-F308 HydrophobicContact CG1-CD2 4Å; I297-F308 HydrophobicContact CG1-CE2 3.67Å; I297-F308 HydrophobicContact CG1-CZ 4.48Å; I297-F308 HydrophobicContact CG2-CE2 4.05Å; I297-F308 HydrophobicContact CG2-CZ 4.03Å; I297-F308 PolarHBondContact N-O 2.97Å; I297-F310 HydrophobicContact CD1-CD2 4.18Å; I297-F310 HydrophobicContact CD1-CE2 4.31Å; I297-F310 HydrophobicContact CG1-CD2 3.98Å; I297-F310 HydrophobicContact CG1-CE2 3.92Å |
| 298 | K | 86.6 | Confident | 82 | Confident | 117 Ų | 117 | 81 Ų | 81 | 51% | 0.509 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 147.9 | 174.2 | -66.4 | 179.6 | 172.2 | -167.4 | 0 | 110.7 | L296 H303 L304 N305 | L296-K298 PolarHBondContact O-N 3.49Å; K298-H303 WeakPolarHBondContact CD-O 3.47Å; K298-L304 CarbonylContact C-O 3.45Å; K298-L304 VanDerWaalsContact CA-O 3.32Å; K298-L304 WeakPolarHBondContact CA-O 3.37Å; K298-N305 WeakPolarHBondContact CE-OD1 3.28Å |
| 299 | D | 84.5 | Confident | 82.7 | Confident | 37 Ų | 37 | 74.1 Ų | 74.1 | 20% | 0.198 | 37% | 0.372 | C | S | . | . | trans | -72.4 | 144.3 | 170.9 | 168.8 | 56.3 | 0 | 0 | 0 | 111 | H301 T302 H303 L304 | D299-H301 PolarHBondContact O-N 2.8Å; D299-H301 IonicContact OD1-ND1 3.85Å; D299-H301 PolarHBondContact OD2-N 2.95Å; D299-H301 VanDerWaalsContact OD2-N 3.16Å; D299-T302 WeakPolarHBondContact CB-OG1 3.27Å; D299-T302 WeakPolarHBondContact OD2-CB 3.46Å; D299-T302 PolarHBondContact OD2-N 3.12Å; D299-T302 PolarHBondContact OD2-OG1 3.13Å; D299-H303 VanDerWaalsContact O-CA 3.27Å; D299-H303 WeakPolarHBondContact O-CA 3.34Å; D299-H303 PolarHBondContact O-N 2.93Å; D299-L304 PolarHBondContact N-O 3.14Å | ||
| 300 | K | 83.3 | Confident | 83.3 | Confident | 173 Ų | 173 | 76 Ų | 76 | 75% | 0.752 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | -28.9 | -174.4 | -173.1 | -178.3 | 176.4 | -172.2 | 0 | 113.1 | ||
| 301 | H | 81.3 | Confident | 84 | Confident | 161 Ų | 161 | 73.1 Ų | 73.1 | 75% | 0.745 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.5 | -33.9 | -172 | -53.9 | 100.5 | 0 | 0 | 0 | 112.4 | D299 | D299-H301 PolarHBondContact O-N 2.8Å; D299-H301 IonicContact OD1-ND1 3.85Å; D299-H301 PolarHBondContact OD2-N 2.95Å; D299-H301 VanDerWaalsContact OD2-N 3.16Å |
| 302 | T | 82.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 71.8 Ų | 71.8 | 51% | 0.509 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.6 | -15.3 | -179.3 | 58.3 | 0 | 0 | 0 | 0 | 113.9 | D299 L304 | D299-T302 WeakPolarHBondContact CB-OG1 3.27Å; D299-T302 WeakPolarHBondContact OD2-CB 3.46Å; D299-T302 PolarHBondContact OD2-N 3.12Å; D299-T302 PolarHBondContact OD2-OG1 3.13Å; T302-L304 PolarHBondContact O-N 2.87Å |
| 303 | H | 76.1 | Confident | 85.3 | Confident | 142 Ų | 142 | 68.4 Ų | 68.4 | 66% | 0.657 | 32% | 0.32 | S | S | * | . | trans | 55.1 | 3.4 | -168.9 | -69.7 | -79.6 | 0 | 0 | 0 | 115.8 | K298 D299 | K298-H303 WeakPolarHBondContact CD-O 3.47Å; D299-H303 VanDerWaalsContact O-CA 3.27Å; D299-H303 WeakPolarHBondContact O-CA 3.34Å; D299-H303 PolarHBondContact O-N 2.93Å | ||
| 304 | L | 80.9 | Confident | 85.3 | Confident | 67 Ų | 67 | 70.4 Ų | 70.4 | 35% | 0.351 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -75.4 | 159.1 | 172.9 | -62.4 | 177.2 | 0 | 0 | 0 | 110.7 | P272 K298 D299 T302 | P272-L304 HydrophobicContact CB-CB 4.45Å; P272-L304 HydrophobicContact CB-CD1 4.49Å; K298-L304 CarbonylContact C-O 3.45Å; K298-L304 VanDerWaalsContact CA-O 3.32Å; K298-L304 WeakPolarHBondContact CA-O 3.37Å; D299-L304 PolarHBondContact N-O 3.14Å; T302-L304 PolarHBondContact O-N 2.87Å |
| 305 | N | 86.9 | Confident | 85.1 | Confident | 15 Ų | 15 | 71 Ų | 71 | 8% | 0.08 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 135.9 | 178.9 | -55.9 | -33 | 0 | 0 | 0 | 111.1 | G271 P272 T274 L296 K298 G307 | G271-N305 WeakPolarHBondContact O-CB 3.32Å; G271-N305 PolarHBondContact O-ND2 2.86Å; P272-N305 PolarHBondContact O-N 3.42Å; P272-N305 PolarHBondContact O-ND2 2.99Å; T274-N305 PolarHBondContact N-ND2 3.15Å; T274-N305 VanDerWaalsContact N-ND2 3.16Å; T274-N305 PolarHBondContact O-ND2 2.9Å; L296-N305 HydrophobicContact CD1-CB 4.22Å; L296-N305 WeakPolarHBondContact CD2-OD1 3.47Å; K298-N305 WeakPolarHBondContact CE-OD1 3.28Å; N305-G307 PolarHBondContact O-N 3.35Å |
| 306 | R | 80.2 | Confident | 85 | Confident | 153 Ų | 153 | 65.6 Ų | 65.6 | 58% | 0.577 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 16 | 178.2 | -156.4 | 178.5 | 166.8 | 81.6 | 2.8 | 113.2 | I297 F308 | I297-R306 HydrophobicContact CG2-CB 4.13Å; I297-R306 WeakPolarHBondContact O-CB 3.21Å; I297-R306 PolarHBondContact O-N 2.86Å; R306-F308 VanDerWaalsContact C-N 3.3Å; R306-F308 HydrophobicContact CB-CD1 4.32Å; R306-F308 HydrophobicContact CB-CE1 3.96Å; R306-F308 HydrophobicContact CG-CD1 4.41Å; R306-F308 HydrophobicContact CG-CE1 3.71Å; R306-F308 HydrophobicContact CG-CZ 4.37Å; R306-F308 WeakPolarHBondContact O-CD1 3.39Å; R306-F308 PolarHBondContact O-N 2.92Å |
| 307 | G | 80.6 | Confident | 84.9 | Confident | 20 Ų | 20 | 67.2 Ų | 67.2 | 21% | 0.206 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 76.7 | 4.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R268 N269 L270 N305 | R268-G307 CarbonylContact C-O 3.45Å; N269-G307 PolarHBondContact N-O 3.14Å; L270-G307 PolarHBondContact N-O 2.92Å; N305-G307 PolarHBondContact O-N 3.35Å |
| 308 | F | 88.1 | Confident | 84.8 | Confident | 54 Ų | 54 | 67.7 Ų | 67.7 | 24% | 0.237 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 155.3 | 176.9 | 64 | -88.3 | 0 | 0 | 0 | 114.4 | I266 L267 R268 I297 R306 F310 | I266-F308 HydrophobicContact CD1-CB 4.44Å; I266-F308 HydrophobicContact CD1-CD2 4.22Å; I266-F308 HydrophobicContact CG1-CB 4.45Å; L267-F308 CarbonylContact O-C 3.59Å; L267-F308 WeakPolarHBondContact O-CA 3.42Å; L267-F308 WeakPolarHBondContact O-CB 3.43Å; R268-F308 HydrophobicContact CG-CB 4.44Å; I297-F308 HydrophobicContact CB-CD2 4.18Å; I297-F308 HydrophobicContact CB-CE2 3.86Å; I297-F308 HydrophobicContact CB-CZ 4.27Å; I297-F308 HydrophobicContact CG1-CD2 4Å; I297-F308 HydrophobicContact CG1-CE2 3.67Å; I297-F308 HydrophobicContact CG1-CZ 4.48Å; I297-F308 HydrophobicContact CG2-CE2 4.05Å; I297-F308 HydrophobicContact CG2-CZ 4.03Å; I297-F308 PolarHBondContact N-O 2.97Å; R306-F308 VanDerWaalsContact C-N 3.3Å; R306-F308 HydrophobicContact CB-CD1 4.32Å; R306-F308 HydrophobicContact CB-CE1 3.96Å; R306-F308 HydrophobicContact CG-CD1 4.41Å; R306-F308 HydrophobicContact CG-CE1 3.71Å; R306-F308 HydrophobicContact CG-CZ 4.37Å; R306-F308 WeakPolarHBondContact O-CD1 3.39Å; R306-F308 PolarHBondContact O-N 2.92Å; F308-F310 HydrophobicContact CD2-CE2 4.1Å; F308-F310 HydrophobicContact CD2-CZ 4.32Å; F308-F310 AromaticContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CZ 4.17Å |
| 309 | A | 89.4 | Confident | 84.8 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 150.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | L267 L270 I279 R295 L296 | L267-A309 HydrophobicContact CB-CB 4.47Å; L267-A309 PolarHBondContact N-O 2.91Å; L267-A309 PolarHBondContact O-N 3.21Å; L270-A309 HydrophobicContact CD1-CB 3.59Å; I279-A309 HydrophobicContact CD1-CB 4.38Å; R295-A309 WeakPolarHBondContact O-CA 3.3Å; L296-A309 HydrophobicContact CB-CB 4.37Å; L296-A309 HydrophobicContact CD1-CB 3.98Å |
| 310 | F | 90.8 | Very high | 84.9 | Confident | 66 Ų | 66 | 62 Ų | 62 | 29% | 0.289 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 139.9 | 169 | -61.2 | -80.9 | 0 | 0 | 0 | 110 | T264 L265 I266 R295 I297 F308 A345 | T264-F310 HydrophobicContact CG2-CB 4Å; T264-F310 HydrophobicContact CG2-CD1 4.25Å; L265-F310 WeakPolarHBondContact O-CA 3.41Å; I266-F310 HydrophobicContact CB-CD1 4.18Å; I266-F310 HydrophobicContact CB-CE1 4.22Å; I266-F310 HydrophobicContact CD1-CD1 4.44Å; I266-F310 HydrophobicContact CD1-CE1 3.76Å; I266-F310 HydrophobicContact CD1-CZ 4.1Å; I266-F310 HydrophobicContact CG1-CD1 4.2Å; I266-F310 HydrophobicContact CG1-CE1 4.02Å; R295-F310 HydrophobicContact CB-CB 4.33Å; R295-F310 PolarHBondContact N-O 3.2Å; R295-F310 PolarHBondContact O-N 3.43Å; I297-F310 HydrophobicContact CD1-CD2 4.18Å; I297-F310 HydrophobicContact CD1-CE2 4.31Å; I297-F310 HydrophobicContact CG1-CD2 3.98Å; I297-F310 HydrophobicContact CG1-CE2 3.92Å; F308-F310 HydrophobicContact CD2-CE2 4.1Å; F308-F310 HydrophobicContact CD2-CZ 4.32Å; F308-F310 AromaticContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CE2 3.89Å; F308-F310 HydrophobicContact CE2-CZ 4.17Å; F310-A345 HydrophobicContact CD1-CB 3.85Å; F310-A345 HydrophobicContact CE1-CB 4.06Å |
| 311 | L | 89.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 59.2 Ų | 59.2 | 1% | 0.005 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 106.6 | -178.2 | -177.5 | 149.2 | 0 | 0 | 0 | 108 | T264 L265 L267 L283 L289 N293 V294 L313 L322 | T264-L311 CarbonylContact C-O 3.59Å; T264-L311 VanDerWaalsContact CA-O 3.29Å; T264-L311 WeakPolarHBondContact CA-O 3.27Å; L265-L311 HydrophobicContact CB-CB 4.44Å; L265-L311 HydrophobicContact CB-CD2 4.46Å; L265-L311 HydrophobicContact CD1-CD2 4.37Å; L265-L311 PolarHBondContact N-O 3.25Å; L265-L311 PolarHBondContact O-N 3.08Å; L267-L311 HydrophobicContact CD1-CD1 4.17Å; L283-L311 HydrophobicContact CD1-CD1 3.4Å; L289-L311 HydrophobicContact CD1-CD1 3.72Å; L289-L311 HydrophobicContact CD1-CG 4.48Å; N293-L311 CarbonylContact O-C 3.53Å; N293-L311 WeakPolarHBondContact O-CA 3.36Å; V294-L311 HydrophobicContact CG2-CD1 4.46Å; L311-L313 HydrophobicContact CD2-CD1 3.6Å; L311-L313 HydrophobicContact CD2-CD2 4.24Å; L311-L313 HydrophobicContact CD2-CG 3.69Å; L311-L322 HydrophobicContact CD2-CD2 3.91Å |
| 312 | Q | 89.7 | Confident | 85.3 | Confident | 65 Ų | 65 | 51.8 Ų | 51.8 | 30% | 0.304 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 121.8 | -175.2 | -174.1 | 174.2 | 10.1 | 0 | 0 | 109.9 | N293 | N293-Q312 VanDerWaalsContact CB-O 3.3Å; N293-Q312 WeakPolarHBondContact CB-O 3.3Å; N293-Q312 PolarHBondContact O-N 2.97Å |
| 313 | L | 86.3 | Confident | 85.5 | Confident | 16 Ų | 16 | 48.5 Ų | 48.5 | 8% | 0.084 | 25% | 0.246 | C | C | . | . | trans | -105.2 | 169.2 | -178.5 | -74.8 | 158.6 | 0 | 0 | 0 | 111.8 | D263 L265 L289 L311 E318 A319 L322 | D263-L313 PolarHBondContact O-N 3.37Å; L265-L313 HydrophobicContact CD1-CD1 4.44Å; L289-L313 HydrophobicContact CD2-CD2 3.61Å; L311-L313 HydrophobicContact CD2-CD1 3.6Å; L311-L313 HydrophobicContact CD2-CD2 4.24Å; L311-L313 HydrophobicContact CD2-CG 3.69Å; L313-E318 HydrophobicContact CB-CB 4.2Å; L313-E318 HydrophobicContact CD1-CB 4.32Å; L313-E318 HydrophobicContact CD2-CB 4.33Å; L313-A319 VanDerWaalsContact CD1-CA 3.42Å; L313-A319 HydrophobicContact CD1-CB 3.86Å; L313-L322 HydrophobicContact CD1-CB 4.45Å; L313-L322 HydrophobicContact CD1-CD2 4.06Å | ||
| 314 | S | 83 | Confident | 86 | Confident | 82 Ų | 82 | 47 Ų | 47 | 57% | 0.573 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -80.6 | -29.1 | -177.1 | 91.8 | 0 | 0 | 0 | 0 | 111.9 | E318 T364 | S314-E318 WeakPolarHBondContact CA-OE2 3.46Å; S314-E318 WeakPolarHBondContact CB-OE2 3.49Å; S314-E318 PolarHBondContact N-OE2 3.18Å; S314-E318 VanDerWaalsContact OG-CD 3.23Å; S314-E318 PolarHBondContact OG-OE1 3.23Å; S314-E318 PolarHBondContact OG-OE2 3.15Å; S314-T364 PolarHBondContact O-OG1 3.31Å |
| 315 | T | 83.4 | Confident | 86.2 | Confident | 24 Ų | 24 | 46.6 Ų | 46.6 | 15% | 0.147 | 24% | 0.237 | C | C | . | . | trans | -132.4 | 152.2 | 174.4 | 69.2 | 0 | 0 | 0 | 0 | 113.6 | V317 E318 A319 | T315-V317 PolarHBondContact O-N 3.17Å; T315-E318 PolarHBondContact N-OE2 3.47Å; T315-E318 VanDerWaalsContact N-OE2 3.08Å; T315-E318 WeakPolarHBondContact O-CB 3.35Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CG 3.3Å; T315-E318 WeakPolarHBondContact OG1-CG 3.29Å; T315-E318 PolarHBondContact OG1-N 2.88Å; T315-E318 VanDerWaalsContact OG1-N 3.09Å; T315-E318 PolarHBondContact OG1-OE1 3.09Å; T315-A319 PolarHBondContact O-N 3.16Å; T315-A319 VanDerWaalsContact O-N 3.12Å | ||
| 316 | I | 84.8 | Confident | 86.1 | Confident | 21 Ų | 21 | 46.3 Ų | 46.3 | 11% | 0.108 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.9 | -24.6 | 172.1 | -73.9 | 160.8 | 0 | 0 | 0 | 111.4 | A261 D263 A319 S320 T364 T368 | A261-I316 HydrophobicContact CB-CG2 3.83Å; D263-I316 HydrophobicContact CB-CG1 3.92Å; I316-A319 PolarHBondContact O-N 3.46Å; I316-S320 WeakPolarHBondContact O-CB 3.3Å; I316-S320 PolarHBondContact O-N 2.93Å; I316-S320 PolarHBondContact O-OG 2.9Å; I316-T364 HydrophobicContact CD1-CG2 4.45Å; I316-T368 HydrophobicContact CD1-CG2 4.02Å; I316-T368 WeakPolarHBondContact CD1-OG1 3.45Å |
| 317 | V | 86.1 | Confident | 86.2 | Confident | 58 Ų | 58 | 44.6 Ų | 44.6 | 35% | 0.352 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -69.7 | -47.4 | 173.1 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | T315 A319 S320 Q321 | T315-V317 PolarHBondContact O-N 3.17Å; V317-A319 VanDerWaalsContact C-N 3.27Å; V317-A319 PolarHBondContact O-N 3.15Å; V317-S320 PolarHBondContact O-N 3.32Å; V317-S320 PolarHBondContact O-OG 2.85Å; V317-Q321 WeakPolarHBondContact O-CB 3.38Å; V317-Q321 PolarHBondContact O-N 2.83Å |
| 318 | E | 86.4 | Confident | 86.2 | Confident | 67 Ų | 67 | 46.9 Ų | 46.9 | 31% | 0.313 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.3 | -43.7 | 170.6 | -75.7 | 147.6 | -139.9 | 0 | 0 | 111.7 | L313 S314 T315 Q321 L322 | L313-E318 HydrophobicContact CB-CB 4.2Å; L313-E318 HydrophobicContact CD1-CB 4.32Å; L313-E318 HydrophobicContact CD2-CB 4.33Å; S314-E318 WeakPolarHBondContact CA-OE2 3.46Å; S314-E318 WeakPolarHBondContact CB-OE2 3.49Å; S314-E318 PolarHBondContact N-OE2 3.18Å; S314-E318 VanDerWaalsContact OG-CD 3.23Å; S314-E318 PolarHBondContact OG-OE1 3.23Å; S314-E318 PolarHBondContact OG-OE2 3.15Å; T315-E318 PolarHBondContact N-OE2 3.47Å; T315-E318 VanDerWaalsContact N-OE2 3.08Å; T315-E318 WeakPolarHBondContact O-CB 3.35Å; T315-E318 PolarHBondContact O-N 3.29Å; T315-E318 VanDerWaalsContact OG1-CG 3.3Å; T315-E318 WeakPolarHBondContact OG1-CG 3.29Å; T315-E318 PolarHBondContact OG1-N 2.88Å; T315-E318 VanDerWaalsContact OG1-N 3.09Å; T315-E318 PolarHBondContact OG1-OE1 3.09Å; E318-Q321 PolarHBondContact O-N 3.35Å; E318-L322 VanDerWaalsContact O-CB 3.31Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 PolarHBondContact O-N 3.47Å |
| 319 | A | 86.1 | Confident | 85.7 | Confident | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.4 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | N262 L265 L313 T315 I316 V317 L323 F344 | N262-A319 WeakPolarHBondContact O-CB 3.49Å; L265-A319 HydrophobicContact CD2-CB 4.19Å; L265-A319 HydrophobicContact CG-CB 4.31Å; L313-A319 VanDerWaalsContact CD1-CA 3.42Å; L313-A319 HydrophobicContact CD1-CB 3.86Å; T315-A319 PolarHBondContact O-N 3.16Å; T315-A319 VanDerWaalsContact O-N 3.12Å; I316-A319 PolarHBondContact O-N 3.46Å; V317-A319 VanDerWaalsContact C-N 3.27Å; V317-A319 PolarHBondContact O-N 3.15Å; A319-L323 VanDerWaalsContact O-CB 3.25Å; A319-L323 WeakPolarHBondContact O-CB 3.43Å; A319-L323 PolarHBondContact O-N 3.41Å; A319-F344 HydrophobicContact CB-CE1 4.03Å |
| 320 | S | 86.9 | Confident | 84.1 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 24% | 0.238 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66 | -37.9 | 176 | 70.3 | 0 | 0 | 0 | 0 | 113 | I316 V317 Q324 | I316-S320 WeakPolarHBondContact O-CB 3.3Å; I316-S320 PolarHBondContact O-N 2.93Å; I316-S320 PolarHBondContact O-OG 2.9Å; V317-S320 PolarHBondContact O-N 3.32Å; V317-S320 PolarHBondContact O-OG 2.85Å; S320-Q324 VanDerWaalsContact O-CB 3.24Å; S320-Q324 WeakPolarHBondContact O-CB 3.21Å; S320-Q324 PolarHBondContact O-N 3.39Å |
| 321 | Q | 87.6 | Confident | 83 | Confident | 115 Ų | 115 | 57.7 Ų | 57.7 | 54% | 0.537 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -69 | -46.4 | 178.8 | -174.2 | 178.7 | 14.4 | 0 | 0 | 111.2 | V317 E318 Q324 I325 | V317-Q321 WeakPolarHBondContact O-CB 3.38Å; V317-Q321 PolarHBondContact O-N 2.83Å; E318-Q321 PolarHBondContact O-N 3.35Å; Q321-Q324 PolarHBondContact O-N 3.33Å; Q321-I325 HydrophobicContact CG-CD1 3.92Å; Q321-I325 WeakPolarHBondContact O-CB 3.09Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.21Å; Q321-I325 PolarHBondContact O-N 2.83Å |
| 322 | L | 86 | Confident | 82.1 | Confident | 5 Ų | 5 | 61.3 Ų | 61.3 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.3 | -176.3 | 60.7 | 0 | 0 | 0 | 111 | L265 F286 A287 L311 L313 E318 I325 L326 | L265-L322 HydrophobicContact CD1-CB 4.36Å; L265-L322 HydrophobicContact CD1-CD2 4.27Å; L265-L322 HydrophobicContact CD1-CG 4.36Å; F286-L322 HydrophobicContact CB-CD1 3.65Å; A287-L322 HydrophobicContact CB-CD1 4.05Å; A287-L322 HydrophobicContact CB-CD2 4.06Å; L311-L322 HydrophobicContact CD2-CD2 3.91Å; L313-L322 HydrophobicContact CD1-CB 4.45Å; L313-L322 HydrophobicContact CD1-CD2 4.06Å; E318-L322 VanDerWaalsContact O-CB 3.31Å; E318-L322 WeakPolarHBondContact O-CB 3.23Å; E318-L322 PolarHBondContact O-N 3.47Å; L322-I325 PolarHBondContact O-N 2.87Å; L322-L326 HydrophobicContact CD1-CD1 3.9Å; L322-L326 HydrophobicContact CD1-CD2 4.48Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 3.86Å; L322-L326 HydrophobicContact CG-CG 4.31Å; L322-L326 WeakPolarHBondContact O-CB 3.15Å; L322-L326 WeakPolarHBondContact O-CG 3.38Å; L322-L326 PolarHBondContact O-N 2.88Å |
| 323 | L | 87.3 | Confident | 81.3 | Confident | 14 Ų | 14 | 59.1 Ų | 59.1 | 7% | 0.073 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -58.8 | -49.3 | 173.8 | -176.3 | 68 | 0 | 0 | 0 | 111.4 | L265 A319 I325 L326 Q327 V342 F344 | L265-L323 HydrophobicContact CD1-CB 4.28Å; L265-L323 HydrophobicContact CD2-CB 4.18Å; L265-L323 HydrophobicContact CD2-CD1 4.45Å; A319-L323 VanDerWaalsContact O-CB 3.25Å; A319-L323 WeakPolarHBondContact O-CB 3.43Å; A319-L323 PolarHBondContact O-N 3.41Å; L323-I325 PolarHBondContact O-N 2.85Å; L323-L326 PolarHBondContact O-N 3.21Å; L323-Q327 HydrophobicContact CD1-CG 4.35Å; L323-Q327 WeakPolarHBondContact O-CB 3.18Å; L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.42Å; L323-Q327 PolarHBondContact O-N 3.23Å; L323-V342 HydrophobicContact CD1-CB 3.88Å; L323-V342 HydrophobicContact CD1-CG1 3.55Å; L323-V342 WeakPolarHBondContact CD1-O 3.18Å; L323-F344 HydrophobicContact CD2-CD2 3.59Å; L323-F344 HydrophobicContact CD2-CE1 4.47Å; L323-F344 HydrophobicContact CD2-CE2 3.32Å; L323-F344 HydrophobicContact CD2-CG 4.29Å; L323-F344 HydrophobicContact CD2-CZ 3.81Å |
| 324 | Q | 86.8 | Confident | 80.9 | Confident | 111 Ų | 111 | 61.9 Ų | 61.9 | 52% | 0.519 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62.9 | -39.6 | -179.8 | -174.7 | 63.3 | 60.8 | 0 | 0 | 112.5 | S320 Q321 A328 | S320-Q324 VanDerWaalsContact O-CB 3.24Å; S320-Q324 WeakPolarHBondContact O-CB 3.21Å; S320-Q324 PolarHBondContact O-N 3.39Å; Q321-Q324 PolarHBondContact O-N 3.33Å; Q324-A328 VanDerWaalsContact O-CB 3.25Å; Q324-A328 WeakPolarHBondContact O-CB 3.47Å; Q324-A328 PolarHBondContact O-N 2.96Å; Q324-A328 VanDerWaalsContact O-N 3.12Å |
| 325 | I | 85.1 | Confident | 80.7 | Confident | 58 Ų | 58 | 58.5 Ų | 58.5 | 30% | 0.297 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -63.6 | -53.8 | 174.2 | -71.7 | 166.5 | 0 | 0 | 0 | 109.8 | F286 Q321 L322 L323 Q327 A328 L329 | F286-I325 HydrophobicContact CB-CG2 4.25Å; F286-I325 HydrophobicContact CD1-CG2 3.63Å; F286-I325 HydrophobicContact CE1-CG2 4.28Å; F286-I325 HydrophobicContact CG-CG2 4.07Å; Q321-I325 HydrophobicContact CG-CD1 3.92Å; Q321-I325 WeakPolarHBondContact O-CB 3.09Å; Q321-I325 VanDerWaalsContact O-CG1 3.25Å; Q321-I325 WeakPolarHBondContact O-CG1 3.21Å; Q321-I325 PolarHBondContact O-N 2.83Å; L322-I325 PolarHBondContact O-N 2.87Å; L323-I325 PolarHBondContact O-N 2.85Å; I325-Q327 VanDerWaalsContact C-N 3.27Å; I325-Q327 PolarHBondContact O-N 3.5Å; I325-A328 PolarHBondContact O-N 3.04Å; I325-L329 WeakPolarHBondContact O-CG 3.3Å; I325-L329 PolarHBondContact O-N 2.91Å; I325-L329 VanDerWaalsContact O-N 3.15Å |
| 326 | L | 82.8 | Confident | 80.1 | Confident | 8 Ų | 8 | 62.1 Ų | 62.1 | 4% | 0.042 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -65.2 | -28.5 | -175.6 | -66.4 | 177.9 | 0 | 0 | 0 | 113.4 | L283 F286 L322 L323 L329 L333 V342 | L283-L326 HydrophobicContact CD2-CD1 3.64Å; L283-L326 HydrophobicContact CD2-CD2 3.89Å; L283-L326 HydrophobicContact CD2-CG 4.4Å; F286-L326 HydrophobicContact CD2-CD2 3.7Å; F286-L326 HydrophobicContact CE2-CD2 4.17Å; F286-L326 HydrophobicContact CG-CD2 4.21Å; L322-L326 HydrophobicContact CD1-CD1 3.9Å; L322-L326 HydrophobicContact CD1-CD2 4.48Å; L322-L326 HydrophobicContact CD1-CG 3.97Å; L322-L326 HydrophobicContact CG-CD1 3.86Å; L322-L326 HydrophobicContact CG-CG 4.31Å; L322-L326 WeakPolarHBondContact O-CB 3.15Å; L322-L326 WeakPolarHBondContact O-CG 3.38Å; L322-L326 PolarHBondContact O-N 2.88Å; L323-L326 PolarHBondContact O-N 3.21Å; L326-L329 HydrophobicContact CD2-CD1 3.79Å; L326-L333 HydrophobicContact CD2-CB 4.46Å; L326-L333 HydrophobicContact CD2-CD1 4.35Å; L326-L333 HydrophobicContact CD2-CD2 4.04Å; L326-V342 HydrophobicContact CB-CG2 4.24Å; L326-V342 HydrophobicContact CD1-CG1 4.33Å; L326-V342 HydrophobicContact CD1-CG2 4.02Å |
| 327 | Q | 83.9 | Confident | 79.4 | Confident | 118 Ų | 118 | 64.8 Ų | 64.8 | 55% | 0.551 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -78.1 | -23.7 | 171.7 | -71.1 | 179.9 | -4.8 | 0 | 0 | 113.4 | L323 I325 V342 | L323-Q327 HydrophobicContact CD1-CG 4.35Å; L323-Q327 WeakPolarHBondContact O-CB 3.18Å; L323-Q327 VanDerWaalsContact O-CG 3.31Å; L323-Q327 WeakPolarHBondContact O-CG 3.42Å; L323-Q327 PolarHBondContact O-N 3.23Å; I325-Q327 VanDerWaalsContact C-N 3.27Å; I325-Q327 PolarHBondContact O-N 3.5Å; Q327-V342 PolarHBondContact NE2-O 3.25Å |
| 328 | A | 80.6 | Confident | 78.9 | Confident | 67 Ų | 67 | 66 Ų | 66 | 55% | 0.554 | 38% | 0.375 | S | S | * | . | H | α-helix | trans | -86.1 | -12.5 | 177 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q324 I325 Q330 | Q324-A328 VanDerWaalsContact O-CB 3.25Å; Q324-A328 WeakPolarHBondContact O-CB 3.47Å; Q324-A328 PolarHBondContact O-N 2.96Å; Q324-A328 VanDerWaalsContact O-N 3.12Å; I325-A328 PolarHBondContact O-N 3.04Å; A328-Q330 PolarHBondContact O-N 3.27Å |
| 329 | L | 76.3 | Confident | 78.7 | Confident | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.251 | 38% | 0.378 | S | S | . | . | trans | -65.9 | 125.5 | 177.1 | -68.3 | 176 | 0 | 0 | 0 | 111.8 | F286 I325 L326 P331 P332 L333 | F286-L329 HydrophobicContact CD2-CD1 4.37Å; F286-L329 HydrophobicContact CE1-CD1 4.09Å; F286-L329 HydrophobicContact CE1-CD2 3.87Å; F286-L329 HydrophobicContact CE2-CD1 3.66Å; F286-L329 HydrophobicContact CZ-CD1 3.49Å; F286-L329 VanDerWaalsContact CZ-CD1 3.49Å; F286-L329 HydrophobicContact CZ-CD2 3.85Å; F286-L329 HydrophobicContact CZ-CG 4.31Å; I325-L329 WeakPolarHBondContact O-CG 3.3Å; I325-L329 PolarHBondContact O-N 2.91Å; I325-L329 VanDerWaalsContact O-N 3.15Å; L326-L329 HydrophobicContact CD2-CD1 3.79Å; L329-P331 CarbonylContact C-O 3.37Å; L329-P331 CarbonylContact O-C 3.42Å; L329-P332 WeakPolarHBondContact O-CA 3.47Å; L329-L333 HydrophobicContact CD1-CD1 4.5Å | ||
| 330 | Q | 55.7 | Low | 78.7 | Confident | 187 Ų | 187 | 65.7 Ų | 65.7 | 87% | 0.874 | 38% | 0.382 | S | S | * | . | S | Bend | trans | -121.9 | 116.3 | 167.1 | -63.8 | -174.5 | 10.3 | 0 | 0 | 108.3 | A328 | A328-Q330 PolarHBondContact O-N 3.27Š|
| 331 | P | 67.8 | Low | 78.6 | Confident | 112 Ų | 112 | 67.8 Ų | 67.8 | 73% | 0.727 | 39% | 0.393 | S | S | * | . | S | Bend | cis | -66.6 | 157.4 | -1.9 | 30.8 | -36.8 | 0 | 0 | 0 | 113.3 | L329 | L329-P331 CarbonylContact C-O 3.37Å; L329-P331 CarbonylContact O-C 3.42Å |
| 332 | P | 71.3 | Confident | 78.6 | Confident | 78 Ų | 78 | 63 Ų | 63 | 51% | 0.506 | 37% | 0.371 | S | S | . | . | P | Polyproline II helix | trans | -63.1 | 149.7 | 177.2 | 27.7 | -35.9 | 0 | 0 | 0 | 111.4 | L329 S334 A339 | L329-P332 WeakPolarHBondContact O-CA 3.47Å; P332-S334 PolarHBondContact O-N 2.87Å; P332-S334 VanDerWaalsContact O-N 3.11Å; P332-A339 HydrophobicContact CG-CB 4.46Å |
| 333 | L | 73.8 | Confident | 78.7 | Confident | 19 Ų | 19 | 64.9 Ų | 64.9 | 10% | 0.099 | 38% | 0.38 | C | S | . | . | P | Polyproline II helix | trans | -53.5 | 117.4 | -176.3 | -173.1 | 77.8 | 0 | 0 | 0 | 111.5 | A282 L283 F286 L326 L329 I340 | A282-L333 HydrophobicContact CB-CD1 4.42Å; L283-L333 HydrophobicContact CD2-CD2 3.65Å; F286-L333 HydrophobicContact CE2-CD1 4.21Å; L326-L333 HydrophobicContact CD2-CB 4.46Å; L326-L333 HydrophobicContact CD2-CD1 4.35Å; L326-L333 HydrophobicContact CD2-CD2 4.04Å; L329-L333 HydrophobicContact CD1-CD1 4.5Å; L333-I340 HydrophobicContact CD2-CD1 4.33Å; L333-I340 PolarHBondContact O-N 2.93Å |
| 334 | S | 77.4 | Confident | 78.7 | Confident | 74 Ų | 74 | 65.1 Ų | 65.1 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 131.5 | 176 | 65.6 | 0 | 0 | 0 | 0 | 112 | P332 K338 | P332-S334 PolarHBondContact O-N 2.87Å; P332-S334 VanDerWaalsContact O-N 3.11Å; S334-K338 CarbonylContact C-O 3.58Å; S334-K338 WeakPolarHBondContact CA-O 3.45Å |
| 335 | I | 79.6 | Confident | 78.5 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 6% | 0.056 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 137.4 | 171.1 | -52.7 | -176.9 | 0 | 0 | 0 | 107.7 | T274 A278 I279 A282 G337 K338 I340 | T274-I335 HydrophobicContact CG2-CG2 3.65Å; A278-I335 HydrophobicContact CB-CG2 4.11Å; I279-I335 HydrophobicContact CG1-CD1 4.32Å; A282-I335 HydrophobicContact CB-CD1 3.38Å; A282-I335 HydrophobicContact CB-CG1 3.61Å; I335-G337 PolarHBondContact O-N 3.2Å; I335-G337 VanDerWaalsContact O-N 3.12Å; I335-K338 PolarHBondContact N-O 2.96Å; I335-K338 PolarHBondContact O-N 2.98Å; I335-I340 HydrophobicContact CB-CD1 3.96Å; I335-I340 HydrophobicContact CD1-CD1 3.4Å; I335-I340 HydrophobicContact CG1-CD1 3.49Å; I335-I340 VanDerWaalsContact CG1-CD1 3.49Å |
| 336 | D | 70.3 | Confident | 78 | Confident | 99 Ų | 99 | 64.4 Ų | 64.4 | 53% | 0.529 | 38% | 0.376 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 35.1 | -175 | -50.6 | -31.1 | 0 | 0 | 0 | 113.6 | T274 K338 | T274-D336 WeakPolarHBondContact CA-OD2 3.49Å; T274-D336 WeakPolarHBondContact CB-OD2 3.43Å; T274-D336 WeakPolarHBondContact CG2-OD2 3.45Å; T274-D336 PolarHBondContact OG1-OD2 3.23Å; D336-K338 VanDerWaalsContact C-N 3.27Å; D336-K338 PolarHBondContact O-N 2.54Å |
| 337 | G | 68.9 | Low | 76.6 | Confident | 77 Ų | 77 | 66.2 Ų | 66.2 | 79% | 0.794 | 40% | 0.397 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.3 | 5.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | I335 | I335-G337 PolarHBondContact O-N 3.2Å; I335-G337 VanDerWaalsContact O-N 3.12Å |
| 338 | K | 77.1 | Confident | 74.5 | Confident | 83 Ų | 83 | 65.2 Ų | 65.2 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 126.9 | 176.6 | -61.3 | -168.6 | 179.7 | -168.4 | 0 | 111.5 | S334 I335 D336 I340 | S334-K338 CarbonylContact C-O 3.58Å; S334-K338 WeakPolarHBondContact CA-O 3.45Å; I335-K338 PolarHBondContact N-O 2.96Å; I335-K338 PolarHBondContact O-N 2.98Å; D336-K338 VanDerWaalsContact C-N 3.27Å; D336-K338 PolarHBondContact O-N 2.54Å; K338-I340 PolarHBondContact O-N 3.36Å |
| 339 | A | 81.9 | Confident | 72.7 | Confident | 47 Ų | 47 | 71 Ų | 71 | 39% | 0.388 | 42% | 0.416 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 124.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110.6 | N269 P332 | N269-A339 PolarHBondContact ND2-O 2.67Å; P332-A339 HydrophobicContact CG-CB 4.46Å |
| 340 | I | 86.6 | Confident | 70.9 | Confident | 14 Ų | 14 | 77.1 Ų | 77.1 | 7% | 0.072 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -86 | 141.7 | -179.7 | -68 | 177.6 | 0 | 0 | 0 | 109.8 | L267 R268 L270 L333 I335 K338 V342 | L267-I340 HydrophobicContact CB-CG2 4.2Å; L267-I340 HydrophobicContact CD2-CG2 4.14Å; R268-I340 WeakPolarHBondContact O-CA 3.31Å; R268-I340 WeakPolarHBondContact O-CG2 3.14Å; L270-I340 HydrophobicContact CD2-CD1 3.52Å; L270-I340 HydrophobicContact CD2-CG1 4.15Å; L333-I340 HydrophobicContact CD2-CD1 4.33Å; L333-I340 PolarHBondContact O-N 2.93Å; I335-I340 HydrophobicContact CB-CD1 3.96Å; I335-I340 HydrophobicContact CD1-CD1 3.4Å; I335-I340 HydrophobicContact CG1-CD1 3.49Å; I335-I340 VanDerWaalsContact CG1-CD1 3.49Å; K338-I340 PolarHBondContact O-N 3.36Å; I340-V342 HydrophobicContact CG2-CG2 3.98Å |
| 341 | V | 84.5 | Confident | 69.8 | Low | 78 Ų | 78 | 75 Ų | 75 | 47% | 0.473 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 126.1 | 167.2 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | R268 | R268-V341 HydrophobicContact CB-CB 4.33Å; R268-V341 PolarHBondContact N-O 2.91Å; R268-V341 PolarHBondContact O-N 3.03Å |
| 342 | V | 87.3 | Confident | 68.2 | Low | 14 Ų | 14 | 73.7 Ų | 73.7 | 9% | 0.085 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 127.9 | 178.1 | -164.8 | 0 | 0 | 0 | 0 | 108.8 | L265 L267 L323 L326 Q327 I340 | L265-V342 HydrophobicContact CB-CG1 4.43Å; L265-V342 HydrophobicContact CD1-CG1 4.08Å; L267-V342 HydrophobicContact CD2-CG1 4.04Å; L267-V342 HydrophobicContact CD2-CG2 3.91Å; L323-V342 HydrophobicContact CD1-CB 3.88Å; L323-V342 HydrophobicContact CD1-CG1 3.55Å; L323-V342 WeakPolarHBondContact CD1-O 3.18Å; L326-V342 HydrophobicContact CB-CG2 4.24Å; L326-V342 HydrophobicContact CD1-CG1 4.33Å; L326-V342 HydrophobicContact CD1-CG2 4.02Å; Q327-V342 PolarHBondContact NE2-O 3.25Å; I340-V342 HydrophobicContact CG2-CG2 3.98Å |
| 343 | E | 88 | Confident | 66.3 | Low | 46 Ų | 46 | 79.7 Ų | 79.7 | 22% | 0.215 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 160.8 | -176.4 | -167.9 | 179.8 | 117.3 | 0 | 0 | 108.1 | L265 I266 R268 | L265-E343 WeakPolarHBondContact CA-O 3.27Å; I266-E343 HydrophobicContact CG2-CB 3.97Å; I266-E343 PolarHBondContact N-O 3.39Å; I266-E343 PolarHBondContact O-N 3.35Å; R268-E343 IonicContact CZ-OE1 2.75Å; R268-E343 IonicContact CZ-OE2 3.4Å; R268-E343 VanDerWaalsContact CZ-OE2 3.28Å; R268-E343 VanDerWaalsContact NH1-CD 3.34Å; R268-E343 IonicContact NH1-OE1 3.99Å; R268-E343 PolarHBondContact NH1-OE1 2.88Å; R268-E343 IonicContact NH1-OE2 3.36Å; R268-E343 PolarHBondContact NH1-OE2 3.31Å; R268-E343 IonicContact NH2-OE1 2.67Å; R268-E343 PolarHBondContact NH2-OE1 3.1Å; R268-E343 IonicContact NH2-OE2 2.67Å; R268-E343 PolarHBondContact NH2-OE2 3.06Å |
| 344 | F | 86.7 | Confident | 64.5 | Low | 18 Ų | 18 | 83.6 Ų | 83.6 | 8% | 0.079 | 46% | 0.463 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 146.3 | 167.5 | -72 | -78.8 | 0 | 0 | 0 | 109.7 | D259 A261 N262 L265 A319 L323 K346 | D259-F344 HydrophobicContact CB-CD2 4.45Å; D259-F344 WeakPolarHBondContact OD2-CB 3.08Å; D259-F344 WeakPolarHBondContact OD2-CD2 3.46Å; D259-F344 PolarHBondContact OD2-N 3.43Å; A261-F344 HydrophobicContact CB-CZ 4.32Å; N262-F344 HydrophobicContact CB-CD1 4.29Å; N262-F344 WeakPolarHBondContact O-CD1 3.43Å; N262-F344 WeakPolarHBondContact O-CE1 3.45Å; L265-F344 HydrophobicContact CD2-CD1 3.49Å; L265-F344 VanDerWaalsContact CD2-CD1 3.49Å; L265-F344 HydrophobicContact CD2-CE1 3.78Å; L265-F344 HydrophobicContact CD2-CG 4.13Å; A319-F344 HydrophobicContact CB-CE1 4.03Å; L323-F344 HydrophobicContact CD2-CD2 3.59Å; L323-F344 HydrophobicContact CD2-CE1 4.47Å; L323-F344 HydrophobicContact CD2-CE2 3.32Å; L323-F344 HydrophobicContact CD2-CG 4.29Å; L323-F344 HydrophobicContact CD2-CZ 3.81Å; F344-K346 VanDerWaalsContact C-N 3.33Å; F344-K346 PolarHBondContact O-N 2.97Å |
| 345 | A | 82.8 | Confident | 62.5 | Low | 15 Ų | 15 | 86.2 Ų | 86.2 | 12% | 0.124 | 48% | 0.476 | C | S | . | . | trans | -75.5 | 89.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 109 | T264 I266 F310 G347 | T264-A345 HydrophobicContact CG2-CB 3.73Å; T264-A345 VanDerWaalsContact O-CB 3.23Å; T264-A345 WeakPolarHBondContact O-CB 3.34Å; T264-A345 PolarHBondContact O-N 3.23Å; I266-A345 HydrophobicContact CB-CB 4.22Å; F310-A345 HydrophobicContact CD1-CB 3.85Å; F310-A345 HydrophobicContact CE1-CB 4.06Å; A345-G347 WeakPolarHBondContact O-CA 3.27Å; A345-G347 PolarHBondContact O-N 2.88Å | ||
| 346 | K | 74.3 | Confident | 60.2 | Low | 139 Ų | 139 | 94.8 Ų | 94.8 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | trans | -42.9 | 106.4 | 179.7 | -171.9 | 162 | -169.1 | 150.2 | 0 | 111.4 | F344 S348 | F344-K346 VanDerWaalsContact C-N 3.33Å; F344-K346 PolarHBondContact O-N 2.97Å; K346-S348 PolarHBondContact O-N 2.79Å; K346-S348 VanDerWaalsContact O-N 3.15Å | ||
| 347 | G | 53.4 | Low | 58.5 | Low | 46 Ų | 46 | 94 Ų | 94 | 47% | 0.474 | 53% | 0.53 | S | S | . | . | trans | -55.2 | 116.1 | -159.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | A345 K349 | A345-G347 WeakPolarHBondContact O-CA 3.27Å; A345-G347 PolarHBondContact O-N 2.88Å; G347-K349 PolarHBondContact O-N 3.37Å | ||
| 348 | S | 41.4 | Very low | 57.1 | Low | 98 Ų | 98 | 95 Ų | 95 | 69% | 0.685 | 53% | 0.525 | S | S | * | . | trans | -58 | 127.5 | 155.6 | 176.1 | 0 | 0 | 0 | 0 | 107.5 | K346 R350 | K346-S348 PolarHBondContact O-N 2.79Å; K346-S348 VanDerWaalsContact O-N 3.15Å; S348-R350 WeakPolarHBondContact O-CG 3.25Å; S348-R350 PolarHBondContact O-N 2.83Å | ||
| 349 | K | 42.3 | Very low | 55.6 | Low | 189 Ų | 189 | 102.3 Ų | 102.3 | 82% | 0.822 | 55% | 0.551 | S | S | * | * | trans | -73.4 | 76 | 173.5 | -171.4 | -161.1 | 171.5 | -157.9 | 0 | 108.5 | G347 D351 | G347-K349 PolarHBondContact O-N 3.37Å; K349-D351 PolarHBondContact O-N 2.85Å | ||
| 350 | R | 37.5 | Very low | 54.1 | Low | 175 Ų | 175 | 105.4 Ų | 105.4 | 66% | 0.66 | 57% | 0.565 | S | S | * | * | trans | -73.6 | 109.4 | -179.4 | -55.8 | 176.3 | 88.4 | 177.9 | 6.4 | 108.6 | S348 V352 | S348-R350 WeakPolarHBondContact O-CG 3.25Å; S348-R350 PolarHBondContact O-N 2.83Å; R350-V352 HydrophobicContact CB-CG2 3.43Å; R350-V352 VanDerWaalsContact CB-CG2 3.43Å; R350-V352 HydrophobicContact CG-CG2 4.49Å; R350-V352 PolarHBondContact O-N 3.33Å | ||
| 351 | D | 33.6 | Very low | 52 | Low | 144 Ų | 144 | 107.7 Ų | 107.7 | 77% | 0.77 | 58% | 0.582 | S | S | * | * | trans | -67.5 | 87.4 | 152.5 | -99.5 | -65.2 | 0 | 0 | 0 | 107 | K349 F353 | K349-D351 PolarHBondContact O-N 2.85Å; D351-F353 PolarHBondContact O-N 3.2Å | ||
| 352 | V | 32.9 | Very low | 50.1 | Low | 84 Ų | 84 | 107.9 Ų | 107.9 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | trans | -81.4 | 105.6 | 179.3 | -173.3 | 0 | 0 | 0 | 0 | 107.9 | R350 V354 | R350-V352 HydrophobicContact CB-CG2 3.43Å; R350-V352 VanDerWaalsContact CB-CG2 3.43Å; R350-V352 HydrophobicContact CG-CG2 4.49Å; R350-V352 PolarHBondContact O-N 3.33Å; V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 HydrophobicContact CB-CG2 4.24Å; V352-V354 HydrophobicContact CG1-CG2 3.85Å; V352-V354 PolarHBondContact O-N 2.8Å | ||
| 353 | F | 32.2 | Very low | 48 | Very low | 204 Ų | 204 | 109.8 Ų | 109.8 | 90% | 0.895 | 61% | 0.609 | S | S | * | * | trans | -58.5 | 100.2 | 148.6 | -83 | -97.5 | 0 | 0 | 0 | 107.1 | D351 T355 | D351-F353 PolarHBondContact O-N 3.2Å; F353-T355 PolarHBondContact O-N 3.38Å; F353-T355 VanDerWaalsContact O-N 3.09Å | ||
| 354 | V | 36.5 | Very low | 46.9 | Very low | 100 Ų | 100 | 108.4 Ų | 108.4 | 61% | 0.606 | 60% | 0.603 | S | S | * | * | trans | -73.9 | 101.8 | -178.7 | 177.8 | 0 | 0 | 0 | 0 | 108 | V352 | V352-V354 VanDerWaalsContact C-N 3.28Å; V352-V354 HydrophobicContact CB-CG2 4.24Å; V352-V354 HydrophobicContact CG1-CG2 3.85Å; V352-V354 PolarHBondContact O-N 2.8Å | ||
| 355 | T | 34.7 | Very low | 45.7 | Very low | 129 Ų | 129 | 112 Ų | 112 | 79% | 0.791 | 63% | 0.626 | S | S | * | * | trans | -59.6 | 134.6 | 157.8 | 36.2 | 0 | 0 | 0 | 0 | 108.8 | F353 G357 | F353-T355 PolarHBondContact O-N 3.38Å; F353-T355 VanDerWaalsContact O-N 3.09Å; T355-G357 PolarHBondContact O-N 2.99Å | ||
| 356 | E | 30.6 | Very low | 43.9 | Very low | 192 Ų | 192 | 113.5 Ų | 113.5 | 90% | 0.897 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.1 | 127.8 | -172.8 | -72.7 | 178.6 | 101 | 0 | 0 | 111.7 | ||
| 357 | G | 36.1 | Very low | 42.8 | Very low | 81 Ų | 81 | 108.4 Ų | 108.4 | 84% | 0.835 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 165.3 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115 | T355 | T355-G357 PolarHBondContact O-N 2.99Š|
| 358 | S | 38.6 | Very low | 43.7 | Very low | 98 Ų | 98 | 108.4 Ų | 108.4 | 69% | 0.685 | 61% | 0.612 | S | S | * | * | trans | -117.8 | 109.6 | -175.9 | -168.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 359 | R | 46 | Very low | 44.2 | Very low | 238 Ų | 238 | 106.7 Ų | 106.7 | 90% | 0.898 | 60% | 0.604 | S | S | * | * | trans | -92.1 | 115.9 | 169.7 | -67.8 | -178.4 | 177.3 | -178.7 | -0.3 | 108.6 | S361 | R359-S361 PolarHBondContact O-N 2.7Š| ||
| 360 | V | 49.7 | Very low | 45.3 | Very low | 112 Ų | 112 | 102.4 Ų | 102.4 | 68% | 0.679 | 59% | 0.589 | S | S | * | * | trans | -56.9 | 122.1 | 173.2 | -179.6 | 0 | 0 | 0 | 0 | 108.8 | T364 V365 | V360-T364 HydrophobicContact CG1-CG2 4.38Å; V360-V365 HydrophobicContact CG1-CG2 4.24Å | ||
| 361 | S | 42.5 | Very low | 46.3 | Very low | 61 Ų | 61 | 94.6 Ų | 94.6 | 43% | 0.427 | 56% | 0.562 | S | S | . | * | trans | -67.9 | 143.6 | -176.1 | -177.4 | 0 | 0 | 0 | 0 | 111.2 | R359 A363 T364 V365 | R359-S361 PolarHBondContact O-N 2.7Å; S361-A363 PolarHBondContact O-N 2.73Å; S361-A363 WeakPolarHBondContact OG-CB 3.43Å; S361-A363 PolarHBondContact OG-N 2.7Å; S361-T364 WeakPolarHBondContact O-CB 3.09Å; S361-T364 PolarHBondContact O-N 2.83Å; S361-V365 PolarHBondContact O-N 3.03Å | ||
| 362 | A | 44.5 | Very low | 47.6 | Very low | 83 Ų | 83 | 90.6 Ų | 90.6 | 69% | 0.686 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -57.5 | -28.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | V365 A366 | A362-V365 PolarHBondContact O-N 2.88Å; A362-A366 WeakPolarHBondContact O-CB 3.42Å; A362-A366 PolarHBondContact O-N 2.95Å |
| 363 | A | 44.4 | Very low | 48.7 | Very low | 53 Ų | 53 | 89.1 Ų | 89.1 | 44% | 0.438 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -42.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | S361 V365 A366 S367 | S361-A363 PolarHBondContact O-N 2.73Å; S361-A363 WeakPolarHBondContact OG-CB 3.43Å; S361-A363 PolarHBondContact OG-N 2.7Å; A363-V365 VanDerWaalsContact C-N 3.34Å; A363-V365 PolarHBondContact O-N 3.34Å; A363-A366 PolarHBondContact O-N 2.71Å; A363-S367 VanDerWaalsContact O-CB 3.22Å; A363-S367 WeakPolarHBondContact O-CB 3.46Å; A363-S367 PolarHBondContact O-N 2.54Å; A363-S367 PolarHBondContact O-OG 3.09Å |
| 364 | T | 63.5 | Low | 50 | Low | 17 Ų | 17 | 85.5 Ų | 85.5 | 10% | 0.104 | 53% | 0.531 | C | S | . | . | H | α-helix | trans | -61.7 | -43 | 177.2 | -46.5 | 0 | 0 | 0 | 0 | 111.1 | S314 I316 V360 S361 T368 | S314-T364 PolarHBondContact O-OG1 3.31Å; I316-T364 HydrophobicContact CD1-CG2 4.45Å; V360-T364 HydrophobicContact CG1-CG2 4.38Å; S361-T364 WeakPolarHBondContact O-CB 3.09Å; S361-T364 PolarHBondContact O-N 2.83Å; T364-T368 PolarHBondContact O-N 2.96Å; T364-T368 PolarHBondContact O-OG1 3.06Å |
| 365 | V | 62.8 | Low | 50.8 | Low | 93 Ų | 93 | 88.3 Ų | 88.3 | 56% | 0.564 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64.8 | -46.6 | 176.7 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | V360 S361 A362 A363 T368 A369 | V360-V365 HydrophobicContact CG1-CG2 4.24Å; S361-V365 PolarHBondContact O-N 3.03Å; A362-V365 PolarHBondContact O-N 2.88Å; A363-V365 VanDerWaalsContact C-N 3.34Å; A363-V365 PolarHBondContact O-N 3.34Å; V365-T368 PolarHBondContact O-N 3.21Å; V365-A369 PolarHBondContact O-N 3.45Å; V365-A369 VanDerWaalsContact O-N 3.13Å |
| 366 | A | 44.1 | Very low | 51.5 | Low | 48 Ų | 48 | 85.2 Ų | 85.2 | 40% | 0.397 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | A362 A363 T368 A369 I370 | A362-A366 WeakPolarHBondContact O-CB 3.42Å; A362-A366 PolarHBondContact O-N 2.95Å; A363-A366 PolarHBondContact O-N 2.71Å; A366-T368 VanDerWaalsContact C-N 3.29Å; A366-T368 PolarHBondContact O-N 3.43Å; A366-A369 PolarHBondContact O-N 2.8Å; A366-A369 VanDerWaalsContact O-N 3.14Å; A366-I370 VanDerWaalsContact O-CG1 3.3Å; A366-I370 WeakPolarHBondContact O-CG1 3.42Å; A366-I370 PolarHBondContact O-N 3.45Å |
| 367 | S | 51.7 | Low | 52.3 | Low | 32 Ų | 32 | 81.9 Ų | 81.9 | 22% | 0.224 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -60.3 | -37.2 | 176.6 | -70.2 | 0 | 0 | 0 | 0 | 112.6 | A363 I370 A371 | A363-S367 VanDerWaalsContact O-CB 3.22Å; A363-S367 WeakPolarHBondContact O-CB 3.46Å; A363-S367 PolarHBondContact O-N 2.54Å; A363-S367 PolarHBondContact O-OG 3.09Å; S367-I370 PolarHBondContact O-N 3.15Å; S367-A371 VanDerWaalsContact O-CB 3.3Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 2.79Å |
| 368 | T | 71.5 | Confident | 53 | Low | 46 Ų | 46 | 81.2 Ų | 81.2 | 28% | 0.282 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.6 | -50.3 | 0 | 0 | 0 | 0 | 111.3 | I316 T364 V365 A366 A372 | I316-T368 HydrophobicContact CD1-CG2 4.02Å; I316-T368 WeakPolarHBondContact CD1-OG1 3.45Å; T364-T368 PolarHBondContact O-N 2.96Å; T364-T368 PolarHBondContact O-OG1 3.06Å; V365-T368 PolarHBondContact O-N 3.21Å; A366-T368 VanDerWaalsContact C-N 3.29Å; A366-T368 PolarHBondContact O-N 3.43Å; T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.16Å |
| 369 | A | 52.3 | Low | 53.3 | Low | 62 Ų | 62 | 84.4 Ų | 84.4 | 51% | 0.512 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -40.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V365 A366 A373 | V365-A369 PolarHBondContact O-N 3.45Å; V365-A369 VanDerWaalsContact O-N 3.13Å; A366-A369 PolarHBondContact O-N 2.8Å; A366-A369 VanDerWaalsContact O-N 3.14Å; A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.44Å |
| 370 | I | 65.6 | Low | 53 | Low | 99 Ų | 99 | 80.1 Ų | 80.1 | 51% | 0.508 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 176.8 | -67.8 | 163.4 | 0 | 0 | 0 | 110.7 | A366 S367 A373 Q374 | A366-I370 VanDerWaalsContact O-CG1 3.3Å; A366-I370 WeakPolarHBondContact O-CG1 3.42Å; A366-I370 PolarHBondContact O-N 3.45Å; S367-I370 PolarHBondContact O-N 3.15Å; I370-A373 PolarHBondContact O-N 3.24Å; I370-Q374 WeakPolarHBondContact O-CG 3.33Å; I370-Q374 PolarHBondContact O-N 2.99Å |
| 371 | A | 58.9 | Low | 52.7 | Low | 11 Ų | 11 | 80 Ų | 80 | 9% | 0.091 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -59.6 | -48.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | S367 A373 Q374 W375 | S367-A371 VanDerWaalsContact O-CB 3.3Å; S367-A371 WeakPolarHBondContact O-CB 3.49Å; S367-A371 PolarHBondContact O-N 2.79Å; A371-A373 VanDerWaalsContact C-N 3.28Å; A371-A373 PolarHBondContact O-N 2.88Å; A371-Q374 PolarHBondContact O-N 3.21Å; A371-Q374 VanDerWaalsContact O-N 3.12Å; A371-W375 PolarHBondContact O-N 2.72Å |
| 372 | A | 59.4 | Low | 52.5 | Low | 60 Ų | 60 | 85.6 Ų | 85.6 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -57.8 | -39 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | T368 A376 | T368-A372 WeakPolarHBondContact O-CB 3.4Å; T368-A372 PolarHBondContact O-N 3.16Å; A372-A376 WeakPolarHBondContact O-CB 3.19Å; A372-A376 PolarHBondContact O-N 2.87Å |
| 373 | A | 57.7 | Low | 52.1 | Low | 52 Ų | 52 | 89.6 Ų | 89.6 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -41 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A369 I370 A371 A376 I377 | A369-A373 WeakPolarHBondContact O-CB 3.42Å; A369-A373 PolarHBondContact O-N 3.44Å; I370-A373 PolarHBondContact O-N 3.24Å; A371-A373 VanDerWaalsContact C-N 3.28Å; A371-A373 PolarHBondContact O-N 2.88Å; A373-A376 PolarHBondContact O-N 3.37Å; A373-I377 WeakPolarHBondContact O-CG1 3.21Å; A373-I377 PolarHBondContact O-N 3.41Å |
| 374 | Q | 59 | Low | 51.4 | Low | 128 Ų | 128 | 91 Ų | 91 | 60% | 0.598 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.9 | -42.7 | 177 | -72.4 | 176.1 | -24 | 0 | 0 | 112.2 | I370 A371 A376 I377 S378 | I370-Q374 WeakPolarHBondContact O-CG 3.33Å; I370-Q374 PolarHBondContact O-N 2.99Å; A371-Q374 PolarHBondContact O-N 3.21Å; A371-Q374 VanDerWaalsContact O-N 3.12Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-A376 PolarHBondContact O-N 3.46Å; Q374-I377 PolarHBondContact O-N 3.11Å; Q374-S378 PolarHBondContact O-N 2.75Å |
| 375 | W | 53.7 | Low | 49.8 | Very low | 159 Ų | 159 | 95.3 Ų | 95.3 | 60% | 0.602 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -63.5 | -36.7 | 174.7 | -71.7 | 113.5 | 0 | 0 | 0 | 112.6 | A371 I377 S378 Q379 | A371-W375 PolarHBondContact O-N 2.72Å; W375-I377 VanDerWaalsContact C-N 3.35Å; W375-I377 PolarHBondContact O-N 2.73Å; W375-S378 PolarHBondContact O-N 2.67Å; W375-Q379 PolarHBondContact O-N 3.07Å |
| 376 | A | 49.5 | Very low | 48.3 | Very low | 64 Ų | 64 | 98.3 Ų | 98.3 | 53% | 0.529 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -64.9 | -35.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A372 A373 Q374 | A372-A376 WeakPolarHBondContact O-CB 3.19Å; A372-A376 PolarHBondContact O-N 2.87Å; A373-A376 PolarHBondContact O-N 3.37Å; Q374-A376 VanDerWaalsContact C-N 3.33Å; Q374-A376 PolarHBondContact O-N 3.46Å |
| 377 | I | 47.7 | Very low | 47.8 | Very low | 122 Ų | 122 | 104.5 Ų | 104.5 | 63% | 0.626 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -66.7 | -42.3 | 176 | -67.2 | 162.5 | 0 | 0 | 0 | 110.8 | A373 Q374 W375 Q379 N380 | A373-I377 WeakPolarHBondContact O-CG1 3.21Å; A373-I377 PolarHBondContact O-N 3.41Å; Q374-I377 PolarHBondContact O-N 3.11Å; W375-I377 VanDerWaalsContact C-N 3.35Å; W375-I377 PolarHBondContact O-N 2.73Å; I377-Q379 PolarHBondContact O-N 2.91Å; I377-N380 PolarHBondContact O-N 3.08Å; I377-N380 VanDerWaalsContact O-N 3.1Å |
| 378 | S | 50 | Low | 46.9 | Very low | 68 Ų | 68 | 110.7 Ų | 110.7 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -67.3 | -19.4 | -178.5 | -168.4 | 0 | 0 | 0 | 0 | 114.5 | Q374 W375 N380 T381 | Q374-S378 PolarHBondContact O-N 2.75Å; W375-S378 PolarHBondContact O-N 2.67Å; S378-N380 VanDerWaalsContact C-N 3.29Å; S378-T381 PolarHBondContact O-OG1 3.36Å; S378-T381 VanDerWaalsContact O-OG1 3.04Å |
| 379 | Q | 43.8 | Very low | 44.8 | Very low | 164 Ų | 164 | 113.7 Ų | 113.7 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -68.1 | -29.5 | 172.9 | -68.9 | -83.7 | -31.2 | 0 | 0 | 111.9 | W375 I377 T381 | W375-Q379 PolarHBondContact O-N 3.07Å; I377-Q379 PolarHBondContact O-N 2.91Å; Q379-T381 VanDerWaalsContact C-N 3.28Å; Q379-T381 PolarHBondContact O-N 2.77Å |
| 380 | N | 40.6 | Very low | 43.9 | Very low | 148 Ų | 148 | 115.5 Ų | 115.5 | 79% | 0.791 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.8 | -2.1 | -171.6 | -150.9 | 46.9 | 0 | 0 | 0 | 113.8 | I377 S378 | I377-N380 PolarHBondContact O-N 3.08Å; I377-N380 VanDerWaalsContact O-N 3.1Å; S378-N380 VanDerWaalsContact C-N 3.29Å |
| 381 | T | 43.3 | Very low | 42.2 | Very low | 110 Ų | 110 | 117.3 Ų | 117.3 | 68% | 0.675 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.8 | 8.4 | -174.7 | 43.9 | 0 | 0 | 0 | 0 | 114.8 | S378 Q379 | S378-T381 PolarHBondContact O-OG1 3.36Å; S378-T381 VanDerWaalsContact O-OG1 3.04Å; Q379-T381 VanDerWaalsContact C-N 3.28Å; Q379-T381 PolarHBondContact O-N 2.77Å |
| 382 | Q | 39.1 | Very low | 40.8 | Very low | 179 Ų | 179 | 125.6 Ų | 125.6 | 84% | 0.836 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -113.2 | 4.5 | -178.7 | -77.3 | -165.8 | -11.5 | 0 | 0 | 115.8 | ||
| 383 | N | 36.6 | Very low | 39.4 | Very low | 166 Ų | 166 | 131.8 Ų | 131.8 | 89% | 0.888 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -145.3 | 86.1 | -179.3 | -156.5 | 21.9 | 0 | 0 | 0 | 112.9 | ||
| 384 | G | 28.8 | Very low | 38.1 | Very low | 82 Ų | 82 | 136.2 Ų | 136.2 | 85% | 0.845 | 75% | 0.751 | S | S | * | * | trans | 160.3 | 105.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 385 | S | 30.1 | Very low | 36.7 | Very low | 108 Ų | 108 | 133.9 Ų | 133.9 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -114.5 | 118.2 | 179.5 | 55.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 386 | N | 30.9 | Very low | 35.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 84% | 0.84 | 77% | 0.766 | S | S | * | * | trans | 57.5 | 143 | 159.6 | -63.2 | 10.4 | 0 | 0 | 0 | 117 | ||||
| 387 | E | 34.1 | Very low | 34.6 | Very low | 177 Ų | 177 | 132.4 Ų | 132.4 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | cis | -135.5 | 174.7 | 17.4 | -66.7 | 176.9 | 133.7 | 0 | 0 | 112 | ||||
| 388 | D | 32.4 | Very low | 33.7 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 87% | 0.866 | 79% | 0.785 | S | S | * | * | trans | 47.6 | 93.5 | 162.2 | -73.5 | -4.4 | 0 | 0 | 0 | 121.5 | ||||
| 389 | A | 27 | Very low | 32.6 | Very low | 109 Ų | 109 | 135 Ų | 135 | 90% | 0.901 | 80% | 0.801 | S | S | * | * | trans | -165.6 | 84.4 | 135.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 390 | A | 33.4 | Very low | 31.6 | Very low | 101 Ų | 101 | 136.7 Ų | 136.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | trans | -97.6 | 119.6 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 391 | V | 31.1 | Very low | 31 | Very low | 137 Ų | 137 | 135.1 Ų | 135.1 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | trans | -174.7 | 138.4 | 152.3 | 131.9 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 392 | Y | 28.8 | Very low | 30.1 | Very low | 185 Ų | 185 | 137.2 Ų | 137.2 | 73% | 0.725 | 81% | 0.805 | S | S | * | * | trans | 61.6 | 77.7 | 168.4 | -96.3 | -107.1 | 0 | 0 | 0 | 119.9 | Q394 | Y392-Q394 HydrophobicContact CD1-CG 4.29Å; Y392-Q394 HydrophobicContact CE1-CG 4.21Å | ||
| 393 | Q | 29.6 | Very low | 29.4 | Very low | 189 Ų | 189 | 137 Ų | 137 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | trans | -94.6 | 110.3 | 148.4 | -177.8 | 79.4 | 13.2 | 0 | 0 | 109 | ||||
| 394 | Q | 30.8 | Very low | 28.9 | Very low | 146 Ų | 146 | 132.9 Ų | 132.9 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -136.4 | 133.8 | 162.2 | -69.6 | -175.5 | -13.5 | 0 | 0 | 108 | Y392 | Y392-Q394 HydrophobicContact CD1-CG 4.29Å; Y392-Q394 HydrophobicContact CE1-CG 4.21Å | ||
| 395 | G | 30.4 | Very low | 29 | Very low | 78 Ų | 78 | 138.1 Ų | 138.1 | 80% | 0.804 | 80% | 0.803 | S | S | * | * | cis | 107.3 | 46.4 | 12.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 396 | A | 26.3 | Very low | 28.8 | Very low | 85 Ų | 85 | 139.3 Ų | 139.3 | 70% | 0.702 | 81% | 0.811 | S | S | * | * | trans | -131.7 | 77.5 | -172.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | V398 | A396-V398 HydrophobicContact CB-CG2 4.25Å; A396-V398 PolarHBondContact O-N 3.32Å | ||
| 397 | A | 32 | Very low | 28.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 88% | 0.884 | 81% | 0.812 | S | S | * | * | trans | -73.7 | 112 | 152.7 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 398 | V | 27.8 | Very low | 28.3 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 67% | 0.673 | 81% | 0.811 | S | S | * | * | trans | -115.8 | 98.4 | 178.3 | -179.6 | 0 | 0 | 0 | 0 | 109.1 | A396 Y400 | A396-V398 HydrophobicContact CB-CG2 4.25Å; A396-V398 PolarHBondContact O-N 3.32Å; V398-Y400 HydrophobicContact CG1-CD2 4.41Å | ||
| 399 | T | 27.3 | Very low | 28 | Very low | 133 Ų | 133 | 134.9 Ų | 134.9 | 82% | 0.816 | 81% | 0.805 | S | S | * | * | trans | -59.5 | 132.3 | 157.3 | 46.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 400 | Y | 23.3 | Very low | 28.1 | Very low | 200 Ų | 200 | 134.5 Ų | 134.5 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | -116.9 | 126.2 | 168.8 | -140.2 | -88.3 | 0 | 0 | 0 | 109.5 | V398 | V398-Y400 HydrophobicContact CG1-CD2 4.41Š| ||
| 401 | S | 27.1 | Very low | 27.9 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 81% | 0.811 | 80% | 0.803 | S | S | * | * | trans | -154.6 | 102.7 | 179.2 | -70.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 402 | Q | 26.3 | Very low | 27.7 | Very low | 153 Ų | 153 | 133.9 Ų | 133.9 | 72% | 0.715 | 79% | 0.794 | S | S | * | * | trans | -159.3 | 145.6 | 164.9 | -112.3 | -170.9 | -54 | 0 | 0 | 106.5 | ||||
| 403 | E | 24.2 | Very low | 27.8 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | cis | -129.5 | 155.1 | 8.1 | -59 | -170.2 | 114.4 | 0 | 0 | 112.2 | ||||
| 404 | G | 25.7 | Very low | 27.6 | Very low | 79 Ų | 79 | 126.5 Ų | 126.5 | 81% | 0.814 | 79% | 0.789 | S | S | * | * | trans | -164.5 | 113 | 172.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 405 | Q | 29.9 | Very low | 27.2 | Very low | 193 Ų | 193 | 126.4 Ų | 126.4 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | trans | -82.5 | 135.9 | -176.5 | -64.8 | 172.1 | -18.1 | 0 | 0 | 111.6 | ||||
| 406 | S | 25.8 | Very low | 26.9 | Very low | 132 Ų | 132 | 132.6 Ų | 132.6 | 92% | 0.923 | 79% | 0.791 | S | S | * | * | trans | -165 | 171.7 | 156.1 | -87.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 407 | Y | 25.9 | Very low | 26.8 | Very low | 217 Ų | 217 | 134.4 Ų | 134.4 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -126.6 | 153.9 | -151.9 | -161.4 | -96.3 | 0 | 0 | 0 | 112.8 | ||||
| 408 | S | 28.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 136.6 Ų | 136.6 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | 60.1 | 148.7 | 173 | 53 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 409 | G | 26.2 | Very low | 26.2 | Very low | 70 Ų | 70 | 136.5 Ų | 136.5 | 72% | 0.722 | 78% | 0.78 | S | S | * | * | cis | 161.5 | 146 | -9.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 410 | A | 29.6 | Very low | 26.1 | Very low | 100 Ų | 100 | 137 Ų | 137 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 60.3 | 147.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 411 | D | 28.9 | Very low | 26.2 | Very low | 164 Ų | 164 | 131.5 Ų | 131.5 | 88% | 0.877 | 77% | 0.768 | S | S | * | * | cis | -147.4 | -176.2 | 10 | -127.8 | -40 | 0 | 0 | 0 | 112.1 | ||||
| 412 | G | 26.7 | Very low | 26.3 | Very low | 62 Ų | 62 | 137.1 Ų | 137.1 | 64% | 0.639 | 77% | 0.772 | S | S | * | * | trans | -65.9 | 178.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 413 | V | 30.3 | Very low | 26.4 | Very low | 135 Ų | 135 | 138 Ų | 138 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -154.6 | 131.5 | 29.1 | 176.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 414 | A | 25.3 | Very low | 26.4 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | 46 | 145.9 | 100.2 | 0 | 0 | 0 | 0 | 0 | 117 | |||||
| 415 | L | 22.4 | Very low | 27.2 | Very low | 144 Ų | 144 | 135.1 Ų | 135.1 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | cis | -166.9 | 136.6 | 1.8 | -166.5 | 79.3 | 0 | 0 | 0 | 111.9 | ||||
| 416 | R | 24.3 | Very low | 27 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 79% | 0.785 | 76% | 0.764 | S | S | * | * | trans | 61 | 174.2 | 156 | -82 | 174.4 | -171.1 | -152.7 | 1.2 | 117.2 | ||||
| 417 | I | 25.7 | Very low | 27 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | cis | -142.9 | 142.4 | 4.9 | -130.5 | 146.8 | 0 | 0 | 0 | 107.1 | ||||
| 418 | Q | 23.5 | Very low | 27 | Very low | 153 Ų | 153 | 126.2 Ų | 126.2 | 72% | 0.715 | 75% | 0.751 | S | S | * | * | 38.3 | 147.4 | 102.3 | -63 | -176.7 | -43.4 | 0 | 0 | 116.4 | |||||
| 419 | T | 23.9 | Very low | 26.9 | Very low | 109 Ų | 109 | 126.1 Ų | 126.1 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | cis | -165.1 | 167.3 | -9.2 | 17.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 420 | D | 23.8 | Very low | 26.8 | Very low | 143 Ų | 143 | 126.5 Ų | 126.5 | 77% | 0.765 | 76% | 0.761 | S | S | * | * | trans | 64.3 | 167.6 | 162.4 | -77.4 | -47.3 | 0 | 0 | 0 | 118.4 | ||||
| 421 | S | 26.8 | Very low | 26.8 | Very low | 84 Ų | 84 | 126.4 Ų | 126.4 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | cis | -178.1 | 129.5 | -45.3 | -97.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 422 | R | 27.3 | Very low | 26.7 | Very low | 234 Ų | 234 | 122.9 Ų | 122.9 | 88% | 0.883 | 75% | 0.754 | S | S | * | * | trans | 48.4 | 119.6 | 155.8 | -57 | 175.1 | 178.6 | 176 | -0.8 | 118.5 | ||||
| 423 | I | 28.4 | Very low | 27 | Very low | 173 Ų | 173 | 126.8 Ų | 126.8 | 89% | 0.887 | 76% | 0.76 | S | S | * | * | -173.5 | 149.9 | 115.2 | -97.4 | 152.4 | 0 | 0 | 0 | 109.9 | |||||
| 424 | A | 25.3 | Very low | 26.9 | Very low | 85 Ų | 85 | 127.8 Ų | 127.8 | 70% | 0.702 | 76% | 0.76 | S | S | * | * | trans | -135.6 | 174.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 425 | P | 41.7 | Very low | 27 | Very low | 108 Ų | 108 | 127.3 Ų | 127.3 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -150.1 | -158.3 | 18.1 | 39.5 | -15 | 0 | 0 | 0 | 115.9 | ||||
| 426 | L | 25.7 | Very low | 27.3 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 80% | 0.796 | 77% | 0.767 | S | S | * | * | trans | 83.6 | 130.9 | 144.3 | -82.4 | 173.6 | 0 | 0 | 0 | 123.1 | ||||
| 427 | V | 26.3 | Very low | 27.5 | Very low | 138 Ų | 138 | 125.6 Ų | 125.6 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | trans | 63.9 | 137.1 | 155.8 | -173.7 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 428 | G | 25.7 | Very low | 27.7 | Very low | 64 Ų | 64 | 125.8 Ų | 125.8 | 66% | 0.66 | 78% | 0.777 | S | S | * | * | cis | 154.3 | 157.2 | -10.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 429 | A | 26.8 | Very low | 27.9 | Very low | 116 Ų | 116 | 122 Ų | 122 | 96% | 0.959 | 78% | 0.779 | S | S | * | * | trans | 64.1 | 158.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 430 | G | 25.2 | Very low | 28.1 | Very low | 78 Ų | 78 | 119.7 Ų | 119.7 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | 135.8 | 39.4 | 153 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 431 | A | 28.1 | Very low | 28.4 | Very low | 98 Ų | 98 | 119.6 Ų | 119.6 | 81% | 0.81 | 78% | 0.782 | S | S | * | * | trans | 5.3 | 136 | 160.4 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 432 | A | 28.3 | Very low | 29.8 | Very low | 90 Ų | 90 | 121 Ų | 121 | 74% | 0.744 | 79% | 0.788 | S | S | * | * | trans | 69.7 | 166.4 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 433 | L | 31.6 | Very low | 30 | Very low | 144 Ų | 144 | 114.9 Ų | 114.9 | 75% | 0.754 | 78% | 0.777 | S | S | * | * | cis | -156.4 | 146.2 | 34.5 | -70.3 | 157.3 | 0 | 0 | 0 | 115.2 | ||||
| 434 | N | 28.4 | Very low | 30.2 | Very low | 156 Ų | 156 | 113.7 Ų | 113.7 | 83% | 0.834 | 77% | 0.772 | S | S | * | * | trans | 60.4 | 142.3 | 136.7 | -55.8 | -10 | 0 | 0 | 0 | 126.5 | ||||
| 435 | G | 28.5 | Very low | 30.4 | Very low | 73 Ų | 73 | 117 Ų | 117 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | 109.8 | 119.3 | 156.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 436 | A | 28.6 | Very low | 29.9 | Very low | 100 Ų | 100 | 118.2 Ų | 118.2 | 83% | 0.826 | 77% | 0.771 | S | S | * | * | cis | 74.4 | 133.7 | 33.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 437 | Y | 28.8 | Very low | 30.2 | Very low | 215 Ų | 215 | 117.8 Ų | 117.8 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | cis | -144.2 | -172.7 | 6.1 | 42.1 | -110.4 | 0 | 0 | 0 | 109.7 | ||||
| 438 | T | 28.6 | Very low | 30.5 | Very low | 129 Ų | 129 | 116.5 Ų | 116.5 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | cis | -137.3 | -162 | 15.6 | 6.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 439 | G | 28.9 | Very low | 31 | Very low | 73 Ų | 73 | 117.2 Ų | 117.2 | 75% | 0.753 | 77% | 0.765 | S | S | * | * | cis | 104.3 | 127.9 | 7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 440 | G | 27.8 | Very low | 31.4 | Very low | 61 Ų | 61 | 118.2 Ų | 118.2 | 63% | 0.629 | 75% | 0.75 | S | S | * | * | cis | -164.5 | 159.5 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 441 | T | 30.8 | Very low | 31.9 | Very low | 140 Ų | 140 | 121.3 Ų | 121.3 | 86% | 0.859 | 74% | 0.744 | S | S | * | * | 79.5 | 159.2 | 91 | 58 | 0 | 0 | 0 | 0 | 116.8 | |||||
| 442 | P | 55.9 | Low | 32.1 | Very low | 113 Ų | 113 | 126.3 Ų | 126.3 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -114.8 | -149.5 | -23.3 | 27.6 | -4.5 | 0 | 0 | 0 | 109.2 | ||||
| 443 | V | 31.1 | Very low | 32.2 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 64% | 0.642 | 74% | 0.74 | S | S | * | * | cis | -145.1 | -176 | 1.6 | -123.7 | 0 | 0 | 0 | 0 | 106.4 | F445 | V443-F445 HydrophobicContact CG1-CD2 3.7Å; V443-F445 HydrophobicContact CG1-CE2 3.81Å | ||
| 444 | L | 31.4 | Very low | 32.1 | Very low | 149 Ų | 149 | 127.8 Ų | 127.8 | 78% | 0.78 | 74% | 0.738 | S | S | * | * | cis | -123.7 | 157 | 14.4 | -75.7 | 170 | 0 | 0 | 0 | 109.3 | ||||
| 445 | F | 30.6 | Very low | 32 | Very low | 154 Ų | 154 | 127.4 Ų | 127.4 | 68% | 0.675 | 73% | 0.732 | S | S | * | * | 59.1 | 114.2 | 68.6 | -69.2 | -74.5 | 0 | 0 | 0 | 115.3 | V443 | V443-F445 HydrophobicContact CG1-CD2 3.7Å; V443-F445 HydrophobicContact CG1-CE2 3.81Å | |||
| 446 | N | 30.8 | Very low | 32 | Very low | 134 Ų | 134 | 132 Ų | 132 | 72% | 0.717 | 74% | 0.736 | S | S | * | * | cis | -143.6 | 171.8 | 24.6 | -70.2 | -76.1 | 0 | 0 | 0 | 110.2 | ||||
| 447 | I | 32.1 | Very low | 32 | Very low | 142 Ų | 142 | 137 Ų | 137 | 73% | 0.728 | 74% | 0.74 | S | S | * | * | cis | -166.9 | 143.6 | -5.5 | -112.1 | 168.4 | 0 | 0 | 0 | 104.7 | ||||
| 448 | S | 32.8 | Very low | 32.8 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | cis | 89.6 | 113.2 | 27.2 | -169.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 449 | A | 36.8 | Very low | 32.5 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 65% | 0.653 | 73% | 0.732 | S | S | * | * | cis | -143.4 | -156.4 | 0.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 450 | E | 34 | Very low | 32.5 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 65% | 0.645 | 73% | 0.73 | S | S | * | * | cis | -133.1 | -180 | 17.3 | -88.1 | -70 | 76.8 | 0 | 0 | 109.4 | ||||
| 451 | Q | 35.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 67% | 0.668 | 73% | 0.733 | S | S | * | * | cis | 67.5 | 158.5 | 40.2 | -91.8 | 74.5 | -115.6 | 0 | 0 | 115 | ||||
| 452 | Y | 33.5 | Very low | 32.8 | Very low | 202 Ų | 202 | 134.2 Ų | 134.2 | 79% | 0.792 | 73% | 0.732 | S | S | * | * | cis | -117.3 | -140 | 11.3 | -146.5 | -97.4 | 0 | 0 | 0 | 114.1 | ||||
| 453 | L | 30.3 | Very low | 31.5 | Very low | 132 Ų | 132 | 132.8 Ų | 132.8 | 69% | 0.691 | 73% | 0.729 | S | S | * | * | trans | -149 | 152 | -156.4 | -165.3 | 77.8 | 0 | 0 | 0 | 113.6 | ||||
| 454 | L | 29.1 | Very low | 31.4 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 70% | 0.702 | 74% | 0.736 | S | S | * | * | 122.2 | 121.9 | 125.5 | -154.6 | 63.5 | 0 | 0 | 0 | 122.1 | |||||
| 455 | M | 27 | Very low | 31.3 | Very low | 147 Ų | 147 | 134.1 Ų | 134.1 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | 61.7 | 133.6 | 147.5 | -68 | -85.3 | -168.3 | 0 | 0 | 126 | ||||
| 456 | M | 27.3 | Very low | 31 | Very low | 170 Ų | 170 | 131.2 Ų | 131.2 | 84% | 0.837 | 74% | 0.736 | S | S | * | * | trans | 80.7 | 150.1 | 137.4 | -76.3 | -178.2 | 168.6 | 0 | 0 | 124.2 | ||||
| 457 | F | 29.7 | Very low | 31.2 | Very low | 204 Ų | 204 | 129 Ų | 129 | 90% | 0.895 | 73% | 0.73 | S | S | * | * | trans | -73.7 | 177.6 | 174.4 | -66.8 | -95 | 0 | 0 | 0 | 112.5 | ||||
| 458 | P | 45.7 | Very low | 31.1 | Very low | 114 Ų | 114 | 130.2 Ų | 130.2 | 74% | 0.74 | 73% | 0.733 | S | S | * | * | cis | -143.3 | -176.5 | 9.8 | 46.3 | -28.1 | 0 | 0 | 0 | 118 | ||||
| 459 | C | 21.9 | Very low | 30.8 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 73% | 0.73 | 73% | 0.73 | S | S | * | * | trans | 66.3 | 130.7 | 140.8 | -140.7 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 460 | S | 28.6 | Very low | 30.4 | Very low | 103 Ų | 103 | 132 Ų | 132 | 72% | 0.72 | 74% | 0.739 | S | S | * | * | trans | 70.5 | 158 | 138.4 | -83.1 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 461 | S | 33 | Very low | 30.1 | Very low | 97 Ų | 97 | 134.4 Ų | 134.4 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | cis | -176.4 | -171.1 | -21.3 | 54.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 462 | V | 31.9 | Very low | 29.7 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 84% | 0.842 | 76% | 0.761 | S | S | * | * | trans | 76.8 | 134.5 | 165.8 | -176.8 | 0 | 0 | 0 | 0 | 116 | ||||
| 463 | A | 28.1 | Very low | 29.4 | Very low | 82 Ų | 82 | 129.8 Ų | 129.8 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -135.5 | -179 | -6.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 464 | V | 29.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 129.6 Ų | 129.6 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | cis | -149.9 | 139 | 44 | 178.5 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 465 | I | 28.3 | Very low | 30 | Very low | 153 Ų | 153 | 127.6 Ų | 127.6 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | trans | -28.6 | 153.9 | 158.2 | 19.5 | 174.3 | 0 | 0 | 0 | 116.6 | ||||
| 466 | S | 26.2 | Very low | 30 | Very low | 94 Ų | 94 | 125.8 Ų | 125.8 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | cis | -165.2 | 168.8 | 0 | -149.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 467 | S | 33.8 | Very low | 30 | Very low | 87 Ų | 87 | 121.2 Ų | 121.2 | 61% | 0.608 | 77% | 0.77 | S | S | * | * | trans | 51.6 | 143.2 | 135.5 | -63.9 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 468 | E | 29.3 | Very low | 29.9 | Very low | 168 Ų | 168 | 120.1 Ų | 120.1 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | cis | -173.4 | 165.2 | -12.9 | -125.4 | 163.7 | 116.2 | 0 | 0 | 112.1 | ||||
| 469 | A | 28.1 | Very low | 29 | Very low | 87 Ų | 87 | 121.7 Ų | 121.7 | 72% | 0.719 | 77% | 0.769 | S | S | * | * | trans | 66.5 | 151.2 | 143.2 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 470 | V | 28.2 | Very low | 29.2 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 84% | 0.842 | 77% | 0.767 | S | S | * | * | cis | -155.6 | 159.1 | -14.5 | 122.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 471 | K | 28 | Very low | 29 | Very low | 190 Ų | 190 | 123.1 Ų | 123.1 | 83% | 0.826 | 77% | 0.769 | S | S | * | * | trans | -77.9 | 150.3 | 172 | -77.6 | 178.3 | 173.1 | 175.6 | 0 | 112.7 | ||||
| 472 | L | 27.6 | Very low | 29 | Very low | 180 Ų | 180 | 125.5 Ų | 125.5 | 94% | 0.942 | 77% | 0.772 | S | S | * | * | 178 | 159.7 | 120.2 | -92.2 | 158.5 | 0 | 0 | 0 | 110.5 | |||||
| 473 | G | 25.4 | Very low | 29.4 | Very low | 67 Ų | 67 | 124.5 Ų | 124.5 | 69% | 0.691 | 77% | 0.769 | S | S | * | * | trans | -117.3 | -152.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 474 | P | 45.6 | Very low | 29.4 | Very low | 129 Ų | 129 | 124.7 Ų | 124.7 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | cis | -139.5 | -168.4 | -2 | 42.8 | -24.1 | 0 | 0 | 0 | 115.2 | ||||
| 475 | A | 26.5 | Very low | 29.5 | Very low | 92 Ų | 92 | 126.3 Ų | 126.3 | 76% | 0.76 | 77% | 0.773 | S | S | * | * | trans | 80.2 | 126.4 | 148.9 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 476 | A | 27.8 | Very low | 29.6 | Very low | 109 Ų | 109 | 123.3 Ų | 123.3 | 90% | 0.901 | 77% | 0.765 | S | S | * | * | trans | 63.8 | 148.5 | 138 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 477 | G | 28 | Very low | 29.7 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 77% | 0.771 | S | S | * | * | trans | 104.2 | 107.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 478 | Q | 27.5 | Very low | 29.5 | Very low | 182 Ų | 182 | 125.7 Ų | 125.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 73.9 | 110.6 | 68 | -79.3 | -163.9 | -23.3 | 0 | 0 | 117.6 | |||||
| 479 | L | 25.1 | Very low | 29.5 | Very low | 146 Ų | 146 | 122.3 Ų | 122.3 | 76% | 0.764 | 78% | 0.777 | S | S | * | * | trans | 60.5 | 108 | 137.7 | -68.6 | 165.3 | 0 | 0 | 0 | 123.3 | ||||
| 480 | S | 26.8 | Very low | 29.4 | Very low | 96 Ų | 96 | 123.2 Ų | 123.2 | 67% | 0.671 | 77% | 0.774 | S | S | * | * | 88 | 154.3 | 119 | 77.7 | 0 | 0 | 0 | 0 | 123.4 | |||||
| 481 | L | 25 | Very low | 29.6 | Very low | 146 Ų | 146 | 125.3 Ų | 125.3 | 76% | 0.764 | 78% | 0.775 | S | S | * | * | trans | 73.7 | 125.6 | 165.1 | -57.9 | 160.3 | 0 | 0 | 0 | 116.7 | ||||
| 482 | I | 33 | Very low | 29.6 | Very low | 146 Ų | 146 | 120.9 Ų | 120.9 | 75% | 0.749 | 77% | 0.768 | S | S | * | * | 66.8 | 119.5 | 52 | -58.1 | 177.8 | 0 | 0 | 0 | 110.8 | |||||
| 483 | P | 40.5 | Very low | 29.6 | Very low | 119 Ų | 119 | 117.9 Ų | 117.9 | 77% | 0.773 | 76% | 0.762 | S | S | * | * | -126.8 | 170.9 | 53.5 | 16.6 | 8.7 | 0 | 0 | 0 | 115 | |||||
| 484 | A | 27.9 | Very low | 29.7 | Very low | 85 Ų | 85 | 118.8 Ų | 118.8 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | cis | 91.2 | 157.8 | 27.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 485 | I | 31.7 | Very low | 28.8 | Very low | 165 Ų | 165 | 117.7 Ų | 117.7 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 113.6 | 128.7 | -172.2 | -68.7 | 163.9 | 0 | 0 | 0 | 111.9 | ||||
| 486 | S | 28.7 | Very low | 28.9 | Very low | 90 Ų | 90 | 118.7 Ų | 118.7 | 63% | 0.629 | 76% | 0.76 | S | S | * | * | cis | -165.6 | 141.9 | -11.4 | -102.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 487 | T | 28.3 | Very low | 28.9 | Very low | 127 Ų | 127 | 121.4 Ų | 121.4 | 78% | 0.779 | 75% | 0.754 | S | S | * | * | trans | 45.3 | 147.8 | 137.4 | 63.3 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 488 | S | 30.3 | Very low | 29 | Very low | 103 Ų | 103 | 122.8 Ų | 122.8 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | 174.6 | 159.4 | -9.6 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 489 | A | 29.8 | Very low | 29 | Very low | 97 Ų | 97 | 122 Ų | 122 | 80% | 0.802 | 74% | 0.744 | S | S | * | * | cis | -140.2 | -82.8 | -11.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 490 | T | 25.5 | Very low | 29.3 | Very low | 106 Ų | 106 | 121.3 Ų | 121.3 | 65% | 0.65 | 74% | 0.739 | S | S | * | * | cis | -156.3 | 120.1 | -7.6 | -60.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 491 | Q | 32.2 | Very low | 29.4 | Very low | 183 Ų | 183 | 123.4 Ų | 123.4 | 86% | 0.855 | 75% | 0.748 | S | S | * | * | trans | 52.9 | 138.5 | 161.5 | -63.4 | -174.5 | 23.5 | 0 | 0 | 121.1 | ||||
| 492 | S | 28.9 | Very low | 29.5 | Very low | 97 Ų | 97 | 119.9 Ų | 119.9 | 68% | 0.678 | 75% | 0.747 | S | S | * | * | cis | -167.7 | 161.8 | -10.8 | 50.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 493 | S | 27.3 | Very low | 29.8 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | 83.6 | 136 | 161.8 | 75.6 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 494 | A | 27.3 | Very low | 29.3 | Very low | 87 Ų | 87 | 123 Ų | 123 | 72% | 0.719 | 76% | 0.756 | S | S | * | * | cis | -162 | 143.2 | -19.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 495 | S | 27.8 | Very low | 29.3 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | trans | 44.6 | 136.5 | 153.5 | 53.5 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 496 | S | 26.6 | Very low | 30.2 | Very low | 113 Ų | 113 | 125 Ų | 125 | 79% | 0.79 | 76% | 0.757 | S | S | * | * | cis | 79.8 | 142.7 | 24.8 | -54.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 497 | Q | 29.3 | Very low | 30.1 | Very low | 165 Ų | 165 | 125.4 Ų | 125.4 | 77% | 0.771 | 77% | 0.766 | S | S | * | * | cis | -175.8 | 166.1 | -17.3 | -165 | -169.9 | -17.1 | 0 | 0 | 110.9 | ||||
| 498 | V | 29.3 | Very low | 30.2 | Very low | 102 Ų | 102 | 123.7 Ų | 123.7 | 62% | 0.618 | 77% | 0.765 | S | S | * | * | trans | 63.8 | 133.2 | 155.5 | -88.2 | 0 | 0 | 0 | 0 | 125.5 | ||||
| 499 | E | 27.5 | Very low | 30.8 | Very low | 166 Ų | 166 | 124.8 Ų | 124.8 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | trans | 52.9 | 162.1 | 133.7 | -71.5 | -176.5 | 110.9 | 0 | 0 | 122.6 | ||||
| 500 | I | 32.3 | Very low | 31.6 | Very low | 131 Ų | 131 | 127.6 Ų | 127.6 | 67% | 0.672 | 77% | 0.771 | S | S | * | * | cis | -154.6 | 160.3 | 4.7 | -133.7 | 168.2 | 0 | 0 | 0 | 112.6 | ||||
| 501 | V | 29 | Very low | 32.6 | Very low | 140 Ų | 140 | 129.3 Ų | 129.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | trans | 45.7 | 132 | 160.1 | 175 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 502 | G | 26.1 | Very low | 33.7 | Very low | 73 Ų | 73 | 122.3 Ų | 122.3 | 75% | 0.753 | 74% | 0.742 | S | S | * | * | trans | 179.5 | 134.2 | 154.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 503 | K | 39.6 | Very low | 35.2 | Very low | 202 Ų | 202 | 118.5 Ų | 118.5 | 88% | 0.878 | 72% | 0.716 | S | S | * | * | trans | -126.8 | 122.5 | 173 | -171.7 | -172.7 | -172.7 | -174.6 | 0 | 109.9 | ||||
| 504 | P | 29.3 | Very low | 37 | Very low | 128 Ų | 128 | 113.9 Ų | 113.9 | 83% | 0.831 | 68% | 0.683 | S | S | * | * | trans | -125.7 | 157.5 | 160.6 | 36.9 | -25.4 | 0 | 0 | 0 | 113.8 | ||||
| 505 | Q | 28.2 | Very low | 38.5 | Very low | 176 Ų | 176 | 109.9 Ų | 109.9 | 82% | 0.822 | 65% | 0.649 | S | S | * | * | trans | -143.4 | 152.4 | 168.7 | 176 | -165.2 | -16.9 | 0 | 0 | 105.3 | ||||
| 506 | P | 52 | Low | 39.9 | Very low | 115 Ų | 115 | 107.2 Ų | 107.2 | 75% | 0.747 | 64% | 0.638 | S | S | * | * | cis | -114.9 | 162.1 | -35.1 | 36.7 | -23.8 | 0 | 0 | 0 | 111.2 | ||||
| 507 | A | 25.1 | Very low | 41.3 | Very low | 99 Ų | 99 | 104.4 Ų | 104.4 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | trans | -156.1 | 125.5 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 508 | A | 30.8 | Very low | 41.9 | Very low | 91 Ų | 91 | 106 Ų | 106 | 75% | 0.752 | 62% | 0.624 | S | S | * | * | trans | -87.3 | 154.1 | 149.1 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 509 | P | 43.8 | Very low | 43 | Very low | 126 Ų | 126 | 106.6 Ų | 106.6 | 82% | 0.818 | 62% | 0.619 | S | S | * | * | -128.1 | 149.7 | 111.6 | 36.2 | -31.6 | 0 | 0 | 0 | 113.1 | Q511 | P509-Q511 PolarHBondContact O-N 3.4Š| |||
| 510 | N | 45.2 | Very low | 44.3 | Very low | 156 Ų | 156 | 103.4 Ų | 103.4 | 83% | 0.834 | 60% | 0.604 | S | S | * | * | trans | -48.6 | 116.9 | -176.1 | -54.6 | -20 | 0 | 0 | 0 | 114.7 | ||||
| 511 | Q | 47.4 | Very low | 45.6 | Very low | 142 Ų | 142 | 100.6 Ų | 100.6 | 66% | 0.664 | 59% | 0.591 | S | S | * | * | -165.2 | 132.7 | 128 | -105.2 | 161.5 | 22.1 | 0 | 0 | 109.3 | P509 | P509-Q511 PolarHBondContact O-N 3.4Š| |||
| 512 | P | 55.9 | Low | 46.9 | Very low | 37 Ų | 37 | 103.6 Ų | 103.6 | 24% | 0.24 | 59% | 0.592 | C | S | . | * | trans | -69.5 | 146.8 | 172.3 | 28.2 | -32 | 0 | 0 | 0 | 110.4 | I514 | P512-I514 VanDerWaalsContact C-N 3.3Å; P512-I514 HydrophobicContact CB-CG1 4.36Å; P512-I514 HydrophobicContact CG-CD1 3.93Å; P512-I514 HydrophobicContact CG-CG1 3.99Å; P512-I514 PolarHBondContact O-N 2.07Å | ||
| 513 | A | 59.5 | Low | 48.2 | Very low | 16 Ų | 16 | 106.1 Ų | 106.1 | 13% | 0.132 | 59% | 0.585 | C | S | . | * | trans | -80.2 | 78.3 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | P515 L521 Y524 F545 | A513-P515 WeakPolarHBondContact O-CD 3.43Å; A513-L521 HydrophobicContact CB-CD1 3.73Å; A513-L521 HydrophobicContact CB-CG 4.35Å; A513-Y524 HydrophobicContact CB-CE1 4.23Å; A513-Y524 WeakPolarHBondContact O-CE1 3.24Å; A513-F545 PolarHBondContact N-O 2.81Å | ||
| 514 | I | 64.6 | Low | 49.9 | Very low | 21 Ų | 21 | 96.7 Ų | 96.7 | 11% | 0.108 | 54% | 0.543 | C | S | . | . | trans | -76.4 | 117.8 | -175 | -61.3 | 151.1 | 0 | 0 | 0 | 110.2 | P512 T517 T546 N559 N561 | P512-I514 VanDerWaalsContact C-N 3.3Å; P512-I514 HydrophobicContact CB-CG1 4.36Å; P512-I514 HydrophobicContact CG-CD1 3.93Å; P512-I514 HydrophobicContact CG-CG1 3.99Å; P512-I514 PolarHBondContact O-N 2.07Å; I514-T517 HydrophobicContact CB-CG2 4.01Å; I514-T517 HydrophobicContact CG2-CG2 3.71Å; I514-T517 PolarHBondContact O-N 3.3Å; I514-T517 PolarHBondContact O-OG1 2.1Å; I514-T546 WeakPolarHBondContact CA-O 3.33Å; I514-N559 WeakPolarHBondContact CG2-ND2 3.45Å; I514-N561 WeakPolarHBondContact CD1-ND2 3.07Å; I514-N561 HydrophobicContact CG2-CB 4.44Å | ||
| 515 | P | 59.3 | Low | 51.9 | Low | 3 Ų | 3 | 94.3 Ų | 94.3 | 2% | 0.019 | 53% | 0.528 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | 139.2 | 171.8 | -19.5 | 31.3 | 0 | 0 | 0 | 111.2 | A513 Y524 L548 N559 M566 Y575 | A513-P515 WeakPolarHBondContact O-CD 3.43Å; P515-Y524 HydrophobicContact CG-CE1 4.37Å; P515-Y524 HydrophobicContact CG-CE2 4.33Å; P515-L548 HydrophobicContact CG-CD1 4.21Å; P515-N559 PolarHBondContact O-ND2 3.49Å; P515-M566 HydrophobicContact CB-CE 4.01Å; P515-M566 HydrophobicContact CB-SD 4.22Å; P515-Y575 HydrophobicContact CG-CD2 3.66Å; P515-Y575 HydrophobicContact CG-CE2 4.46Å; P515-Y575 HydrophobicContact CG-CG 4.15Å |
| 516 | G | 58.3 | Low | 54 | Low | 49 Ų | 49 | 90.7 Ų | 90.7 | 51% | 0.505 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 79.8 | 21.7 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | E520 | G516-E520 WeakPolarHBondContact CA-OE2 3.35Å; G516-E520 PolarHBondContact N-OE2 3.18Å |
| 517 | T | 54.7 | Low | 55.1 | Low | 54 Ų | 54 | 86.2 Ų | 86.2 | 33% | 0.331 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -132 | 174 | 170.9 | 69 | 0 | 0 | 0 | 0 | 111 | I514 H519 E520 | I514-T517 HydrophobicContact CB-CG2 4.01Å; I514-T517 HydrophobicContact CG2-CG2 3.71Å; I514-T517 PolarHBondContact O-N 3.3Å; I514-T517 PolarHBondContact O-OG1 2.1Å; T517-H519 PolarHBondContact O-N 3.37Å; T517-E520 WeakPolarHBondContact O-CB 3.26Å; T517-E520 PolarHBondContact O-N 3.17Å |
| 518 | E | 41.4 | Very low | 57.4 | Low | 200 Ų | 200 | 85.7 Ų | 85.7 | 94% | 0.935 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.5 | -13.2 | -179.2 | -59 | -172.5 | 158.4 | 0 | 0 | 114.2 | ||
| 519 | H | 53.2 | Low | 59.4 | Low | 113 Ų | 113 | 84.2 Ų | 84.2 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -103.1 | 23.1 | 176.3 | -72.4 | -85 | 0 | 0 | 0 | 114 | T517 L521 | T517-H519 PolarHBondContact O-N 3.37Å; H519-L521 PolarHBondContact O-N 3.25Å |
| 520 | E | 54.8 | Low | 60.9 | Low | 99 Ų | 99 | 83 Ų | 83 | 46% | 0.463 | 45% | 0.448 | S | S | . | . | trans | -66.4 | 121.5 | 175.5 | -177.9 | 173.6 | 139.7 | 0 | 0 | 112.7 | G516 T517 | G516-E520 WeakPolarHBondContact CA-OE2 3.35Å; G516-E520 PolarHBondContact N-OE2 3.18Å; T517-E520 WeakPolarHBondContact O-CB 3.26Å; T517-E520 PolarHBondContact O-N 3.17Å | ||
| 521 | L | 59 | Low | 62.4 | Low | 73 Ų | 73 | 79.9 Ų | 79.9 | 38% | 0.382 | 44% | 0.435 | S | S | . | . | trans | -76.1 | 136.3 | 167.8 | -71.9 | 156.4 | 0 | 0 | 0 | 110.1 | A513 H519 Q523 Y524 | A513-L521 HydrophobicContact CB-CD1 3.73Å; A513-L521 HydrophobicContact CB-CG 4.35Å; H519-L521 PolarHBondContact O-N 3.25Å; L521-Q523 PolarHBondContact O-N 3.09Å; L521-Y524 HydrophobicContact CB-CD1 4.2Å; L521-Y524 HydrophobicContact CB-CD2 4.38Å; L521-Y524 HydrophobicContact CB-CE1 3.84Å; L521-Y524 HydrophobicContact CB-CE2 4.05Å; L521-Y524 HydrophobicContact CB-CG 4.44Å; L521-Y524 HydrophobicContact CD1-CD1 3.97Å; L521-Y524 HydrophobicContact CD1-CE1 3.87Å; L521-Y524 HydrophobicContact CG-CE1 4.35Å; L521-Y524 PolarHBondContact N-OH 3.12Å; L521-Y524 VanDerWaalsContact N-OH 3.08Å; L521-Y524 WeakPolarHBondContact O-CE2 3.39Å | ||
| 522 | K | 57 | Low | 64.1 | Low | 202 Ų | 202 | 74 Ų | 74 | 88% | 0.878 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -71.2 | -7.7 | 175.3 | -64.2 | -178.8 | 179.6 | 177.9 | 0 | 114.2 | ||
| 523 | Q | 53.6 | Low | 65.4 | Low | 127 Ų | 127 | 78.8 Ų | 78.8 | 59% | 0.593 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -162.8 | 124.7 | -178.6 | -169.5 | 173.8 | 6.1 | 0 | 0 | 107.7 | L521 Q573 | L521-Q523 PolarHBondContact O-N 3.09Å; Q523-Q573 HydrophobicContact CG-CB 4.04Å |
| 524 | Y | 74.4 | Confident | 66.5 | Low | 4 Ų | 4 | 83.8 Ų | 83.8 | 2% | 0.016 | 44% | 0.442 | C | S | . | . | trans | -104.3 | 154.7 | 179.1 | -66.2 | -95.7 | 0 | 0 | 0 | 110.4 | A513 P515 L521 T546 Q573 Y575 | A513-Y524 HydrophobicContact CB-CE1 4.23Å; A513-Y524 WeakPolarHBondContact O-CE1 3.24Å; P515-Y524 HydrophobicContact CG-CE1 4.37Å; P515-Y524 HydrophobicContact CG-CE2 4.33Å; L521-Y524 HydrophobicContact CB-CD1 4.2Å; L521-Y524 HydrophobicContact CB-CD2 4.38Å; L521-Y524 HydrophobicContact CB-CE1 3.84Å; L521-Y524 HydrophobicContact CB-CE2 4.05Å; L521-Y524 HydrophobicContact CB-CG 4.44Å; L521-Y524 HydrophobicContact CD1-CD1 3.97Å; L521-Y524 HydrophobicContact CD1-CE1 3.87Å; L521-Y524 HydrophobicContact CG-CE1 4.35Å; L521-Y524 PolarHBondContact N-OH 3.12Å; L521-Y524 VanDerWaalsContact N-OH 3.08Å; L521-Y524 WeakPolarHBondContact O-CE2 3.39Å; Y524-T546 HydrophobicContact CD1-CG2 3.98Å; Y524-T546 HydrophobicContact CE1-CG2 4.26Å; Y524-Q573 PolarHBondContact N-O 2.62Å; Y524-Y575 HydrophobicContact CD1-CE2 4.24Å; Y524-Y575 HydrophobicContact CD2-CD2 4.21Å; Y524-Y575 HydrophobicContact CD2-CE2 4.45Å; Y524-Y575 HydrophobicContact CE2-CD2 4.38Å; Y524-Y575 HydrophobicContact CG-CD2 4.34Å; Y524-Y575 HydrophobicContact CG-CE2 4.13Å | ||
| 525 | P | 71.7 | Confident | 67.2 | Low | 77 Ų | 77 | 84.9 Ų | 84.9 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 156.6 | 166.1 | 29.2 | -35.3 | 0 | 0 | 0 | 110.7 | P527 F545 W568 | P525-P527 WeakPolarHBondContact O-CD 3.26Å; P525-F545 HydrophobicContact CG-CD1 4.32Å; P525-F545 HydrophobicContact CG-CE1 3.69Å; P525-F545 HydrophobicContact CG-CZ 4.36Å; P525-W568 WeakPolarHBondContact O-CH2 3.34Å |
| 526 | V | 72.5 | Confident | 67.9 | Low | 100 Ų | 100 | 93 Ų | 93 | 61% | 0.606 | 49% | 0.486 | S | S | * | . | P | Polyproline II helix | trans | -60 | 124.5 | 174.8 | 179.5 | 0 | 0 | 0 | 0 | 108.9 | D528 | V526-D528 PolarHBondContact O-N 3.12Š|
| 527 | P | 75.9 | Confident | 68.6 | Low | 22 Ų | 22 | 96 Ų | 96 | 14% | 0.143 | 50% | 0.499 | C | S | . | . | P | Polyproline II helix | trans | -72.3 | 122 | -172 | -14.4 | 27.5 | 0 | 0 | 0 | 111.2 | P525 Y532 W568 Y575 | P525-P527 WeakPolarHBondContact O-CD 3.26Å; P527-Y532 WeakPolarHBondContact CB-OH 3.42Å; P527-W568 VanDerWaalsContact CD-CZ2 3.43Å; P527-W568 HydrophobicContact CG-CD2 3.53Å; P527-W568 HydrophobicContact CG-CE3 3.47Å; P527-W568 VanDerWaalsContact CG-CE3 3.47Å; P527-W568 HydrophobicContact CG-CG 4.07Å; P527-W568 HydrophobicContact CG-CH2 4.09Å; P527-W568 HydrophobicContact CG-CZ2 4.18Å; P527-W568 HydrophobicContact CG-CZ3 3.75Å; P527-Y575 HydrophobicContact CG-CE1 4.28Å; P527-Y575 VanDerWaalsContact CG-OH 3.25Å; P527-Y575 WeakPolarHBondContact CG-OH 3.41Å |
| 528 | D | 73.2 | Confident | 69.3 | Low | 87 Ų | 87 | 95.7 Ų | 95.7 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | trans | -97.6 | 102.5 | 178.5 | -172.9 | -16 | 0 | 0 | 0 | 110.4 | V526 S530 T531 | V526-D528 PolarHBondContact O-N 3.12Å; D528-S530 VanDerWaalsContact CG-OG 3.22Å; D528-S530 PolarHBondContact O-N 3.23Å; D528-S530 VanDerWaalsContact OD1-CB 3.28Å; D528-S530 WeakPolarHBondContact OD1-CB 3.48Å; D528-S530 PolarHBondContact OD1-N 2.94Å; D528-S530 PolarHBondContact OD1-OG 3.24Å; D528-S530 PolarHBondContact OD2-OG 3.32Å; D528-T531 HydrophobicContact CB-CG2 4.07Å; D528-T531 PolarHBondContact O-N 3.47Å; D528-T531 PolarHBondContact O-OG1 2.86Å | ||
| 529 | V | 72.8 | Confident | 71 | Confident | 61 Ų | 61 | 87.8 Ų | 87.8 | 37% | 0.37 | 47% | 0.471 | S | S | . | . | G | 310 helix | trans | -59.4 | -18.4 | -179.4 | -169.8 | 0 | 0 | 0 | 0 | 112.7 | T531 Y532 Y550 | V529-T531 VanDerWaalsContact C-N 3.27Å; V529-T531 PolarHBondContact O-N 3.12Å; V529-Y532 HydrophobicContact CB-CD2 4.27Å; V529-Y532 HydrophobicContact CB-CE2 4.07Å; V529-Y532 HydrophobicContact CG1-CD2 3.94Å; V529-Y532 HydrophobicContact CG1-CE2 4.06Å; V529-Y532 HydrophobicContact CG2-CE2 3.96Å; V529-Y550 HydrophobicContact CG1-CD1 3.88Å; V529-Y550 HydrophobicContact CG1-CE1 3.63Å; V529-Y550 HydrophobicContact CG2-CE1 4.4Å |
| 530 | S | 75.3 | Confident | 72.4 | Confident | 101 Ų | 101 | 85.4 Ų | 85.4 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -75.7 | -12.6 | 174.2 | 75.3 | 0 | 0 | 0 | 0 | 114.3 | D528 | D528-S530 VanDerWaalsContact CG-OG 3.22Å; D528-S530 PolarHBondContact O-N 3.23Å; D528-S530 VanDerWaalsContact OD1-CB 3.28Å; D528-S530 WeakPolarHBondContact OD1-CB 3.48Å; D528-S530 PolarHBondContact OD1-N 2.94Å; D528-S530 PolarHBondContact OD1-OG 3.24Å; D528-S530 PolarHBondContact OD2-OG 3.32Å |
| 531 | T | 75.1 | Confident | 73.8 | Confident | 90 Ų | 90 | 84.6 Ų | 84.6 | 55% | 0.552 | 45% | 0.453 | S | S | * | . | G | 310 helix | trans | -93.7 | -8.3 | 178.3 | 66.4 | 0 | 0 | 0 | 0 | 113.7 | D528 V529 | D528-T531 HydrophobicContact CB-CG2 4.07Å; D528-T531 PolarHBondContact O-N 3.47Å; D528-T531 PolarHBondContact O-OG1 2.86Å; V529-T531 VanDerWaalsContact C-N 3.27Å; V529-T531 PolarHBondContact O-N 3.12Å |
| 532 | Y | 84.4 | Confident | 75.1 | Confident | 18 Ų | 18 | 84.3 Ų | 84.3 | 7% | 0.071 | 45% | 0.447 | C | S | . | . | P | Polyproline II helix | trans | -77.3 | 144 | -176.7 | -56.2 | -17.9 | 0 | 0 | 0 | 113 | P527 V529 D543 Y550 Y557 | P527-Y532 WeakPolarHBondContact CB-OH 3.42Å; V529-Y532 HydrophobicContact CB-CD2 4.27Å; V529-Y532 HydrophobicContact CB-CE2 4.07Å; V529-Y532 HydrophobicContact CG1-CD2 3.94Å; V529-Y532 HydrophobicContact CG1-CE2 4.06Å; V529-Y532 HydrophobicContact CG2-CE2 3.96Å; Y532-D543 HydrophobicContact CD1-CB 3.68Å; Y532-D543 HydrophobicContact CE1-CB 3.66Å; Y532-D543 HydrophobicContact CG-CB 4.42Å; Y532-Y550 HydrophobicContact CD2-CD1 4.19Å; Y532-Y550 HydrophobicContact CD2-CG 4.2Å; Y532-Y550 HydrophobicContact CE2-CD1 4.19Å; Y532-Y550 AromaticContact CE2-CG 3.91Å; Y532-Y550 HydrophobicContact CE2-CG 3.91Å; Y532-Y557 HydrophobicContact CE2-CE1 4Å; Y532-Y557 WeakPolarHBondContact OH-CE1 3.03Å; Y532-Y557 PolarHBondContact OH-OH 3.13Å |
| 533 | Q | 82 | Confident | 76.3 | Confident | 138 Ų | 138 | 75.2 Ų | 75.2 | 65% | 0.645 | 41% | 0.408 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 116.6 | 179.5 | -172.2 | 147.2 | 86.2 | 0 | 0 | 109.7 | D535 Y542 | Q533-D535 PolarHBondContact O-N 2.93Å; Q533-Y542 PolarHBondContact N-O 2.83Å; Q533-Y542 PolarHBondContact O-N 2.95Å |
| 534 | Y | 83.4 | Confident | 77.2 | Confident | 121 Ų | 121 | 72.5 Ų | 72.5 | 48% | 0.475 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.2 | 126.4 | 175.3 | -177.7 | -110.3 | 0 | 0 | 0 | 110.7 | E536 G539 Y541 | Y534-E536 HydrophobicContact CE1-CB 4.14Å; Y534-E536 HydrophobicContact CE1-CG 4.48Å; Y534-G539 WeakPolarHBondContact CE2-O 3.32Å; Y534-Y541 HydrophobicContact CD2-CD1 4.47Å; Y534-Y541 AromaticContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CE1 4.24Å; Y534-Y541 AromaticContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CE2 3.45Å; Y534-Y541 VanDerWaalsContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CG 4.25Å; Y534-Y541 AromaticContact CD2-CZ 3.74Å; Y534-Y541 HydrophobicContact CE2-CD2 4.38Å; Y534-Y541 AromaticContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CG-CE2 4.42Å |
| 535 | D | 79.5 | Confident | 77.1 | Confident | 43 Ų | 43 | 77.5 Ų | 77.5 | 23% | 0.23 | 42% | 0.423 | C | S | . | . | trans | -102.1 | 108.8 | 172.5 | 167 | 29.8 | 0 | 0 | 0 | 109.7 | Q533 S537 S538 G539 F540 | Q533-D535 PolarHBondContact O-N 2.93Å; D535-S537 VanDerWaalsContact CG-OG 3.27Å; D535-S537 PolarHBondContact O-N 3.24Å; D535-S537 WeakPolarHBondContact OD1-CB 3.41Å; D535-S537 PolarHBondContact OD1-N 3.35Å; D535-S537 PolarHBondContact OD1-OG 3.14Å; D535-S537 PolarHBondContact OD2-OG 2.72Å; D535-S537 VanDerWaalsContact OD2-OG 3.11Å; D535-S538 PolarHBondContact O-N 3.36Å; D535-S538 WeakPolarHBondContact OD2-CB 3.36Å; D535-S538 PolarHBondContact OD2-N 2.85Å; D535-S538 PolarHBondContact OD2-OG 2.82Å; D535-G539 WeakPolarHBondContact O-CA 3.36Å; D535-G539 PolarHBondContact O-N 3.4Å; D535-F540 PolarHBondContact N-O 3.41Å | ||
| 536 | E | 73.1 | Confident | 77.1 | Confident | 175 Ų | 175 | 74 Ų | 74 | 82% | 0.818 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -16.9 | 179.9 | -167.4 | 170.8 | -159.1 | 0 | 0 | 113 | Y534 | Y534-E536 HydrophobicContact CE1-CB 4.14Å; Y534-E536 HydrophobicContact CE1-CG 4.48Å |
| 537 | S | 73.2 | Confident | 77.4 | Confident | 110 Ų | 110 | 69.4 Ų | 69.4 | 77% | 0.769 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.1 | -29.8 | 178.9 | 76.4 | 0 | 0 | 0 | 0 | 114.1 | D535 | D535-S537 VanDerWaalsContact CG-OG 3.27Å; D535-S537 PolarHBondContact O-N 3.24Å; D535-S537 WeakPolarHBondContact OD1-CB 3.41Å; D535-S537 PolarHBondContact OD1-N 3.35Å; D535-S537 PolarHBondContact OD1-OG 3.14Å; D535-S537 PolarHBondContact OD2-OG 2.72Å; D535-S537 VanDerWaalsContact OD2-OG 3.11Å |
| 538 | S | 69.3 | Low | 77.8 | Confident | 48 Ų | 48 | 68.4 Ų | 68.4 | 34% | 0.336 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -20.4 | 176 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | D535 F540 | D535-S538 PolarHBondContact O-N 3.36Å; D535-S538 WeakPolarHBondContact OD2-CB 3.36Å; D535-S538 PolarHBondContact OD2-N 2.85Å; D535-S538 PolarHBondContact OD2-OG 2.82Å; S538-F540 VanDerWaalsContact C-N 3.28Å; S538-F540 VanDerWaalsContact O-CD2 3.32Å; S538-F540 WeakPolarHBondContact O-CD2 3.2Å; S538-F540 WeakPolarHBondContact O-CE2 3.33Å |
| 539 | G | 78.1 | Confident | 78.4 | Confident | 34 Ų | 34 | 67.3 Ų | 67.3 | 35% | 0.351 | 36% | 0.357 | S | S | . | . | S | Bend | trans | 80.4 | 4.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | Y534 D535 | Y534-G539 WeakPolarHBondContact CE2-O 3.32Å; D535-G539 WeakPolarHBondContact O-CA 3.36Å; D535-G539 PolarHBondContact O-N 3.4Å |
| 540 | F | 82.4 | Confident | 79 | Confident | 63 Ų | 63 | 65.8 Ų | 65.8 | 28% | 0.276 | 34% | 0.344 | S | S | . | . | S | Bend | trans | -107.4 | 168.3 | -179.2 | -57.9 | -66.4 | 0 | 0 | 0 | 112.1 | D535 S538 Y549 D551 | D535-F540 PolarHBondContact N-O 3.41Å; S538-F540 VanDerWaalsContact C-N 3.28Å; S538-F540 VanDerWaalsContact O-CD2 3.32Å; S538-F540 WeakPolarHBondContact O-CD2 3.2Å; S538-F540 WeakPolarHBondContact O-CE2 3.33Å; F540-Y549 HydrophobicContact CB-CD1 4.19Å; F540-D551 HydrophobicContact CD1-CB 3.77Å; F540-D551 HydrophobicContact CE1-CB 3.83Å |
| 541 | Y | 84.8 | Confident | 79.5 | Confident | 83 Ų | 83 | 62 Ų | 62 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.9 | 108.4 | 177.8 | -78.1 | -104.6 | 0 | 0 | 0 | 109.8 | Y534 Y549 Y550 P552 | Y534-Y541 HydrophobicContact CD2-CD1 4.47Å; Y534-Y541 AromaticContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CD2 3.75Å; Y534-Y541 HydrophobicContact CD2-CE1 4.24Å; Y534-Y541 AromaticContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CE2 3.45Å; Y534-Y541 VanDerWaalsContact CD2-CE2 3.45Å; Y534-Y541 HydrophobicContact CD2-CG 4.25Å; Y534-Y541 AromaticContact CD2-CZ 3.74Å; Y534-Y541 HydrophobicContact CE2-CD2 4.38Å; Y534-Y541 AromaticContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CE2-CE2 3.98Å; Y534-Y541 HydrophobicContact CG-CE2 4.42Å; Y541-Y549 CarbonylContact O-C 3.58Å; Y541-Y550 PolarHBondContact N-O 3.19Å; Y541-Y550 PolarHBondContact O-N 2.93Å; Y541-P552 HydrophobicContact CD2-CG 3.38Å; Y541-P552 HydrophobicContact CE2-CG 3.43Å; Y541-P552 VanDerWaalsContact CE2-CG 3.43Å; Y541-P552 HydrophobicContact CG-CG 4.44Å |
| 542 | Y | 84.3 | Confident | 79.5 | Confident | 67 Ų | 67 | 60.7 Ų | 60.7 | 26% | 0.263 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 131.4 | 179.5 | 178.5 | -108.3 | 0 | 0 | 0 | 111.5 | Q533 P544 Y549 | Q533-Y542 PolarHBondContact N-O 2.83Å; Q533-Y542 PolarHBondContact O-N 2.95Å; Y542-P544 HydrophobicContact CD1-CG 4.23Å; Y542-P544 HydrophobicContact CE1-CB 4.25Å; Y542-P544 HydrophobicContact CE1-CG 4.23Å; Y542-P544 WeakPolarHBondContact O-CD 3.21Å; Y542-Y549 HydrophobicContact CD2-CD1 4.2Å; Y542-Y549 HydrophobicContact CD2-CD2 4.03Å; Y542-Y549 AromaticContact CD2-CE1 3.84Å; Y542-Y549 HydrophobicContact CD2-CE1 3.84Å; Y542-Y549 AromaticContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CG 4.29Å; Y542-Y549 AromaticContact CD2-CZ 3.54Å; Y542-Y549 AromaticContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CG-CE1 4.33Å |
| 543 | D | 84.1 | Confident | 79.1 | Confident | 10 Ų | 10 | 66.8 Ų | 66.8 | 5% | 0.053 | 34% | 0.343 | C | S | . | . | trans | -95.4 | 111.3 | 170.2 | 177.4 | 10.2 | 0 | 0 | 0 | 110.7 | Y532 F545 T546 G547 L548 | Y532-D543 HydrophobicContact CD1-CB 3.68Å; Y532-D543 HydrophobicContact CE1-CB 3.66Å; Y532-D543 HydrophobicContact CG-CB 4.42Å; D543-F545 PolarHBondContact O-N 3.25Å; D543-F545 WeakPolarHBondContact OD1-CB 2.85Å; D543-F545 PolarHBondContact OD1-N 3.46Å; D543-T546 WeakPolarHBondContact OD2-CB 3.37Å; D543-T546 VanDerWaalsContact OD2-CG2 3.27Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.49Å; D543-T546 PolarHBondContact OD2-N 3.04Å; D543-T546 PolarHBondContact OD2-OG1 2.77Å; D543-G547 VanDerWaalsContact O-CA 3.31Å; D543-G547 WeakPolarHBondContact O-CA 3.43Å; D543-G547 PolarHBondContact O-N 3.42Å; D543-L548 PolarHBondContact N-O 2.81Å | ||
| 544 | P | 72 | Confident | 78.9 | Confident | 71 Ų | 71 | 63 Ų | 63 | 46% | 0.461 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -16.7 | 177 | -20 | 33.6 | 0 | 0 | 0 | 114.8 | Y542 | Y542-P544 HydrophobicContact CD1-CG 4.23Å; Y542-P544 HydrophobicContact CE1-CB 4.25Å; Y542-P544 HydrophobicContact CE1-CG 4.23Å; Y542-P544 WeakPolarHBondContact O-CD 3.21Å |
| 545 | F | 71.3 | Confident | 78.7 | Confident | 109 Ų | 109 | 63.3 Ų | 63.3 | 48% | 0.478 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -46.1 | -178.5 | -174.3 | -106 | 0 | 0 | 0 | 112.1 | A513 P525 D543 | A513-F545 PolarHBondContact N-O 2.81Å; P525-F545 HydrophobicContact CG-CD1 4.32Å; P525-F545 HydrophobicContact CG-CE1 3.69Å; P525-F545 HydrophobicContact CG-CZ 4.36Å; D543-F545 PolarHBondContact O-N 3.25Å; D543-F545 WeakPolarHBondContact OD1-CB 2.85Å; D543-F545 PolarHBondContact OD1-N 3.46Å |
| 546 | T | 73 | Confident | 79 | Confident | 2 Ų | 2 | 66 Ų | 66 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -99.2 | -12.7 | 179.5 | 64.7 | 0 | 0 | 0 | 0 | 114.5 | I514 Y524 D543 L548 Y575 | I514-T546 WeakPolarHBondContact CA-O 3.33Å; Y524-T546 HydrophobicContact CD1-CG2 3.98Å; Y524-T546 HydrophobicContact CE1-CG2 4.26Å; D543-T546 WeakPolarHBondContact OD2-CB 3.37Å; D543-T546 VanDerWaalsContact OD2-CG2 3.27Å; D543-T546 WeakPolarHBondContact OD2-CG2 3.49Å; D543-T546 PolarHBondContact OD2-N 3.04Å; D543-T546 PolarHBondContact OD2-OG1 2.77Å; T546-L548 PolarHBondContact O-N 3.47Å; T546-L548 WeakPolarHBondContact OG1-CG 3.46Å; T546-Y575 HydrophobicContact CG2-CE2 3.83Å |
| 547 | G | 78.6 | Confident | 79.6 | Confident | 4 Ų | 4 | 58.3 Ų | 58.3 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | trans | 71.7 | 16.3 | -178 | 0 | 0 | 0 | 0 | 0 | 114.1 | D543 | D543-G547 VanDerWaalsContact O-CA 3.31Å; D543-G547 WeakPolarHBondContact O-CA 3.43Å; D543-G547 PolarHBondContact O-N 3.42Å | ||
| 548 | L | 84.1 | Confident | 80.2 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.005 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 151 | -179.2 | -60.6 | 174.5 | 0 | 0 | 0 | 111.4 | P515 D543 T546 Y557 N559 M566 Y575 | P515-L548 HydrophobicContact CG-CD1 4.21Å; D543-L548 PolarHBondContact N-O 2.81Å; T546-L548 PolarHBondContact O-N 3.47Å; T546-L548 WeakPolarHBondContact OG1-CG 3.46Å; L548-Y557 HydrophobicContact CB-CD1 4.34Å; L548-Y557 HydrophobicContact CD1-CD1 4.33Å; L548-Y557 HydrophobicContact CD1-CG 4.42Å; L548-N559 HydrophobicContact CD2-CB 3.57Å; L548-M566 HydrophobicContact CD2-SD 4.42Å; L548-Y575 HydrophobicContact CD1-CD1 3.61Å; L548-Y575 HydrophobicContact CD1-CD2 3.84Å; L548-Y575 HydrophobicContact CD1-CE1 3.54Å; L548-Y575 HydrophobicContact CD1-CE2 3.76Å; L548-Y575 HydrophobicContact CD1-CG 3.74Å |
| 549 | Y | 85.8 | Confident | 80.9 | Confident | 65 Ų | 65 | 53.7 Ų | 53.7 | 26% | 0.255 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107.2 | 173.5 | -69.5 | -101.2 | 0 | 0 | 0 | 109.3 | F540 Y541 Y542 Y558 A560 | F540-Y549 HydrophobicContact CB-CD1 4.19Å; Y541-Y549 CarbonylContact O-C 3.58Å; Y542-Y549 HydrophobicContact CD2-CD1 4.2Å; Y542-Y549 HydrophobicContact CD2-CD2 4.03Å; Y542-Y549 AromaticContact CD2-CE1 3.84Å; Y542-Y549 HydrophobicContact CD2-CE1 3.84Å; Y542-Y549 AromaticContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CE2 3.63Å; Y542-Y549 HydrophobicContact CD2-CG 4.29Å; Y542-Y549 AromaticContact CD2-CZ 3.54Å; Y542-Y549 AromaticContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CE2-CE2 3.94Å; Y542-Y549 HydrophobicContact CG-CE1 4.33Å; Y549-Y558 PolarHBondContact N-O 3.04Å; Y549-Y558 PolarHBondContact O-N 2.61Å; Y549-A560 HydrophobicContact CD2-CB 4.04Å; Y549-A560 HydrophobicContact CE2-CB 3.75Å |
| 550 | Y | 86.1 | Confident | 80.9 | Confident | 28 Ų | 28 | 54.1 Ų | 54.1 | 11% | 0.11 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.8 | 176.3 | 177.6 | -106.9 | 0 | 0 | 0 | 111.4 | V529 Y532 Y541 P552 Y557 | V529-Y550 HydrophobicContact CG1-CD1 3.88Å; V529-Y550 HydrophobicContact CG1-CE1 3.63Å; V529-Y550 HydrophobicContact CG2-CE1 4.4Å; Y532-Y550 HydrophobicContact CD2-CD1 4.19Å; Y532-Y550 HydrophobicContact CD2-CG 4.2Å; Y532-Y550 HydrophobicContact CE2-CD1 4.19Å; Y532-Y550 AromaticContact CE2-CG 3.91Å; Y532-Y550 HydrophobicContact CE2-CG 3.91Å; Y541-Y550 PolarHBondContact N-O 3.19Å; Y541-Y550 PolarHBondContact O-N 2.93Å; Y550-P552 HydrophobicContact CD1-CG 4.28Å; Y550-P552 HydrophobicContact CE1-CB 4.18Å; Y550-P552 HydrophobicContact CE1-CG 4.18Å; Y550-Y557 AromaticContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD2 4.31Å; Y550-Y557 AromaticContact CD2-CE1 3.51Å; Y550-Y557 HydrophobicContact CD2-CE1 3.51Å; Y550-Y557 AromaticContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CG 4.27Å; Y550-Y557 AromaticContact CD2-CZ 3.55Å; Y550-Y557 HydrophobicContact CE2-CE1 4.36Å; Y550-Y557 HydrophobicContact CE2-CE2 4.2Å; Y550-Y557 AromaticContact CE2-CZ 3.96Å; Y550-Y557 HydrophobicContact CG-CD1 4.43Å; Y550-Y557 HydrophobicContact CG-CE1 4.08Å |
| 551 | D | 84.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 56 Ų | 56 | 11% | 0.112 | 28% | 0.281 | C | S | . | . | trans | -95.8 | 112.9 | 169 | 176.4 | 13 | 0 | 0 | 0 | 110.7 | F540 N553 S554 Q555 Y556 | F540-D551 HydrophobicContact CD1-CB 3.77Å; F540-D551 HydrophobicContact CE1-CB 3.83Å; D551-N553 PolarHBondContact O-N 3.21Å; D551-N553 VanDerWaalsContact OD1-CB 3.29Å; D551-N553 WeakPolarHBondContact OD1-CB 3.34Å; D551-N553 PolarHBondContact OD1-N 2.89Å; D551-S554 WeakPolarHBondContact OD2-CB 3.32Å; D551-S554 PolarHBondContact OD2-N 2.75Å; D551-S554 PolarHBondContact OD2-OG 3.31Å; D551-Q555 WeakPolarHBondContact O-CA 3.36Å; D551-Q555 PolarHBondContact O-N 3.09Å; D551-Y556 PolarHBondContact N-O 3.41Å | ||
| 552 | P | 75.3 | Confident | 79.8 | Confident | 63 Ų | 63 | 54.2 Ų | 54.2 | 41% | 0.409 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -22 | 175.9 | -17.5 | 30.1 | 0 | 0 | 0 | 114.4 | Y541 Y550 | Y541-P552 HydrophobicContact CD2-CG 3.38Å; Y541-P552 HydrophobicContact CE2-CG 3.43Å; Y541-P552 VanDerWaalsContact CE2-CG 3.43Å; Y541-P552 HydrophobicContact CG-CG 4.44Å; Y550-P552 HydrophobicContact CD1-CG 4.28Å; Y550-P552 HydrophobicContact CE1-CB 4.18Å; Y550-P552 HydrophobicContact CE1-CG 4.18Å |
| 553 | N | 76.5 | Confident | 79.5 | Confident | 146 Ų | 146 | 58 Ų | 58 | 78% | 0.781 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84 | -42.3 | -175.9 | -171.1 | 78 | 0 | 0 | 0 | 111.5 | D551 | D551-N553 PolarHBondContact O-N 3.21Å; D551-N553 VanDerWaalsContact OD1-CB 3.29Å; D551-N553 WeakPolarHBondContact OD1-CB 3.34Å; D551-N553 PolarHBondContact OD1-N 2.89Å |
| 554 | S | 78.6 | Confident | 79.4 | Confident | 59 Ų | 59 | 62.3 Ų | 62.3 | 41% | 0.413 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -13.3 | 177.5 | -42.6 | 0 | 0 | 0 | 0 | 114.1 | D551 Y556 | D551-S554 WeakPolarHBondContact OD2-CB 3.32Å; D551-S554 PolarHBondContact OD2-N 2.75Å; D551-S554 PolarHBondContact OD2-OG 3.31Å; S554-Y556 WeakPolarHBondContact O-CD2 3.45Å; S554-Y556 WeakPolarHBondContact O-CE2 3.37Å; S554-Y556 PolarHBondContact O-N 2.95Å |
| 555 | Q | 79.4 | Confident | 79.9 | Confident | 128 Ų | 128 | 64.5 Ų | 64.5 | 60% | 0.598 | 32% | 0.319 | S | S | * | . | trans | 61.7 | 19.3 | -177.2 | -54.6 | -179.7 | 35.6 | 0 | 0 | 115.4 | D551 | D551-Q555 WeakPolarHBondContact O-CA 3.36Å; D551-Q555 PolarHBondContact O-N 3.09Å | ||
| 556 | Y | 84.9 | Confident | 80.6 | Confident | 99 Ų | 99 | 60 Ų | 60 | 39% | 0.388 | 30% | 0.299 | S | S | . | . | trans | -97.6 | 154.8 | 173.1 | -68.3 | -80.4 | 0 | 0 | 0 | 111.5 | D551 S554 A578 | D551-Y556 PolarHBondContact N-O 3.41Å; S554-Y556 WeakPolarHBondContact O-CD2 3.45Å; S554-Y556 WeakPolarHBondContact O-CE2 3.37Å; S554-Y556 PolarHBondContact O-N 2.95Å; Y556-A578 HydrophobicContact CD1-CB 4.18Å; Y556-A578 HydrophobicContact CE1-CB 3.89Å | ||
| 557 | Y | 85.9 | Confident | 81.2 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 6% | 0.055 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 108.2 | 173.4 | -63.3 | -92.7 | 0 | 0 | 0 | 108.6 | Y532 L548 Y550 M566 W568 Y575 | Y532-Y557 HydrophobicContact CE2-CE1 4Å; Y532-Y557 WeakPolarHBondContact OH-CE1 3.03Å; Y532-Y557 PolarHBondContact OH-OH 3.13Å; L548-Y557 HydrophobicContact CB-CD1 4.34Å; L548-Y557 HydrophobicContact CD1-CD1 4.33Å; L548-Y557 HydrophobicContact CD1-CG 4.42Å; Y550-Y557 AromaticContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD1 3.9Å; Y550-Y557 HydrophobicContact CD2-CD2 4.31Å; Y550-Y557 AromaticContact CD2-CE1 3.51Å; Y550-Y557 HydrophobicContact CD2-CE1 3.51Å; Y550-Y557 AromaticContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CE2 3.96Å; Y550-Y557 HydrophobicContact CD2-CG 4.27Å; Y550-Y557 AromaticContact CD2-CZ 3.55Å; Y550-Y557 HydrophobicContact CE2-CE1 4.36Å; Y550-Y557 HydrophobicContact CE2-CE2 4.2Å; Y550-Y557 AromaticContact CE2-CZ 3.96Å; Y550-Y557 HydrophobicContact CG-CD1 4.43Å; Y550-Y557 HydrophobicContact CG-CE1 4.08Å; Y557-M566 PolarHBondContact N-O 2.97Å; Y557-M566 WeakPolarHBondContact O-CB 3.34Å; Y557-M566 PolarHBondContact O-N 3.27Å; Y557-W568 HydrophobicContact CE2-CB 3.84Å; Y557-Y575 HydrophobicContact CD1-CD1 4.46Å; Y557-Y575 AromaticContact CD1-CE1 3.71Å; Y557-Y575 HydrophobicContact CD1-CE1 3.71Å; Y557-Y575 AromaticContact CD2-CD1 3.95Å; Y557-Y575 HydrophobicContact CD2-CD1 3.95Å; Y557-Y575 AromaticContact CD2-CE1 3.75Å; Y557-Y575 HydrophobicContact CD2-CE1 3.75Å; Y557-Y575 AromaticContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE2-CD1 4.48Å; Y557-Y575 AromaticContact CE2-CE1 3.96Å; Y557-Y575 HydrophobicContact CE2-CE1 3.96Å; Y557-Y575 AromaticContact CG-CD1 3.95Å; Y557-Y575 HydrophobicContact CG-CD1 3.95Å; Y557-Y575 AromaticContact CG-CE1 3.63Å; Y557-Y575 HydrophobicContact CG-CE1 3.63Å |
| 558 | Y | 85.6 | Confident | 81.5 | Confident | 61 Ų | 61 | 66.9 Ų | 66.9 | 24% | 0.239 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 123.5 | 175.3 | 179.4 | -104.5 | 0 | 0 | 0 | 110.5 | Y549 A560 Y565 | Y549-Y558 PolarHBondContact N-O 3.04Å; Y549-Y558 PolarHBondContact O-N 2.61Å; Y558-A560 HydrophobicContact CE1-CB 4.33Å; Y558-Y565 HydrophobicContact CD2-CD1 4.06Å; Y558-Y565 HydrophobicContact CD2-CD2 4.16Å; Y558-Y565 AromaticContact CD2-CE1 3.84Å; Y558-Y565 HydrophobicContact CD2-CE1 3.84Å; Y558-Y565 AromaticContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CG 4.22Å; Y558-Y565 AromaticContact CD2-CZ 3.77Å; Y558-Y565 HydrophobicContact CE2-CE2 4.26Å; Y558-Y565 HydrophobicContact CG-CE1 4.25Å |
| 559 | N | 84.9 | Confident | 81.3 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 109.5 | 174.2 | -176 | -23.5 | 0 | 0 | 0 | 109.5 | I514 P515 L548 N561 T562 Q563 Q564 M566 | I514-N559 WeakPolarHBondContact CG2-ND2 3.45Å; P515-N559 PolarHBondContact O-ND2 3.49Å; L548-N559 HydrophobicContact CD2-CB 3.57Å; N559-N561 PolarHBondContact O-N 3.16Å; N559-N561 WeakPolarHBondContact OD1-CB 3.39Å; N559-N561 PolarHBondContact OD1-N 2.73Å; N559-N561 PolarHBondContact OD1-ND2 3.06Å; N559-T562 WeakPolarHBondContact CB-OG1 3.29Å; N559-T562 VanDerWaalsContact CG-OG1 3.26Å; N559-T562 PolarHBondContact ND2-OG1 2.95Å; N559-T562 PolarHBondContact O-N 2.87Å; N559-T562 PolarHBondContact OD1-N 3.32Å; N559-Q563 VanDerWaalsContact O-CA 3.28Å; N559-Q563 WeakPolarHBondContact O-CA 3.33Å; N559-Q563 PolarHBondContact O-N 2.97Å; N559-Q564 PolarHBondContact N-O 2.93Å; N559-M566 HydrophobicContact CB-SD 4.1Å |
| 560 | A | 77.4 | Confident | 80.9 | Confident | 43 Ų | 43 | 67.3 Ų | 67.3 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -21.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114 | Y549 Y558 | Y549-A560 HydrophobicContact CD2-CB 4.04Å; Y549-A560 HydrophobicContact CE2-CB 3.75Å; Y558-A560 HydrophobicContact CE1-CB 4.33Å |
| 561 | N | 72.4 | Confident | 80.2 | Confident | 101 Ų | 101 | 74.2 Ų | 74.2 | 54% | 0.54 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -38 | -176.8 | -53.4 | -77.9 | 0 | 0 | 0 | 112.1 | I514 N559 | I514-N561 WeakPolarHBondContact CD1-ND2 3.07Å; I514-N561 HydrophobicContact CG2-CB 4.44Å; N559-N561 PolarHBondContact O-N 3.16Å; N559-N561 WeakPolarHBondContact OD1-CB 3.39Å; N559-N561 PolarHBondContact OD1-N 2.73Å; N559-N561 PolarHBondContact OD1-ND2 3.06Å |
| 562 | T | 71.8 | Confident | 79.6 | Confident | 46 Ų | 46 | 78.8 Ų | 78.8 | 28% | 0.282 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -9.2 | 177.1 | 63.9 | 0 | 0 | 0 | 0 | 113.4 | N559 Q564 | N559-T562 WeakPolarHBondContact CB-OG1 3.29Å; N559-T562 VanDerWaalsContact CG-OG1 3.26Å; N559-T562 PolarHBondContact ND2-OG1 2.95Å; N559-T562 PolarHBondContact O-N 2.87Å; N559-T562 PolarHBondContact OD1-N 3.32Å; T562-Q564 PolarHBondContact O-N 3.38Å |
| 563 | Q | 78.1 | Confident | 79.8 | Confident | 148 Ų | 148 | 78.8 Ų | 78.8 | 69% | 0.692 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.7 | 24.5 | -174.7 | -54.8 | -175.2 | 9.9 | 0 | 0 | 114.1 | N559 | N559-Q563 VanDerWaalsContact O-CA 3.28Å; N559-Q563 WeakPolarHBondContact O-CA 3.33Å; N559-Q563 PolarHBondContact O-N 2.97Å |
| 564 | Q | 81.3 | Confident | 80 | Confident | 100 Ų | 100 | 73.1 Ų | 73.1 | 47% | 0.467 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 140.1 | -179.8 | -69.5 | 177.3 | 17.6 | 0 | 0 | 111.5 | N559 T562 | N559-Q564 PolarHBondContact N-O 2.93Å; T562-Q564 PolarHBondContact O-N 3.38Å |
| 565 | Y | 84 | Confident | 80.1 | Confident | 117 Ų | 117 | 70.8 Ų | 70.8 | 46% | 0.459 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.8 | 132.6 | 163.4 | -68.4 | -85.9 | 0 | 0 | 0 | 109 | Y558 A578 | Y558-Y565 HydrophobicContact CD2-CD1 4.06Å; Y558-Y565 HydrophobicContact CD2-CD2 4.16Å; Y558-Y565 AromaticContact CD2-CE1 3.84Å; Y558-Y565 HydrophobicContact CD2-CE1 3.84Å; Y558-Y565 AromaticContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CE2 3.93Å; Y558-Y565 HydrophobicContact CD2-CG 4.22Å; Y558-Y565 AromaticContact CD2-CZ 3.77Å; Y558-Y565 HydrophobicContact CE2-CE2 4.26Å; Y558-Y565 HydrophobicContact CG-CE1 4.25Å; Y565-A578 WeakPolarHBondContact O-CB 3.22Å; Y565-A578 PolarHBondContact O-N 3.23Å |
| 566 | M | 85.1 | Confident | 80.3 | Confident | 13 Ų | 13 | 66.4 Ų | 66.4 | 6% | 0.064 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 154.8 | 179.2 | -47.5 | -174.1 | 79.1 | 0 | 0 | 109 | P515 L548 Y557 N559 Y575 T576 | P515-M566 HydrophobicContact CB-CE 4.01Å; P515-M566 HydrophobicContact CB-SD 4.22Å; L548-M566 HydrophobicContact CD2-SD 4.42Å; Y557-M566 PolarHBondContact N-O 2.97Å; Y557-M566 WeakPolarHBondContact O-CB 3.34Å; Y557-M566 PolarHBondContact O-N 3.27Å; N559-M566 HydrophobicContact CB-SD 4.1Å; M566-Y575 WeakPolarHBondContact CE-O 3.34Å; M566-T576 CarbonylContact C-O 3.48Å; M566-T576 VanDerWaalsContact CA-O 3.23Å; M566-T576 WeakPolarHBondContact CA-O 3.24Å |
| 567 | Y | 85.8 | Confident | 80.1 | Confident | 98 Ų | 98 | 65 Ų | 65 | 38% | 0.384 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 152.6 | 170.5 | 66.4 | -86.3 | 0 | 0 | 0 | 110.2 | D569 Y575 T576 A578 | Y567-D569 HydrophobicContact CE2-CB 4.41Å; Y567-D569 PolarHBondContact O-N 3.29Å; Y567-Y575 WeakPolarHBondContact O-CA 3.45Å; Y567-T576 VanDerWaalsContact CD1-O 3.28Å; Y567-T576 WeakPolarHBondContact CD1-O 3.33Å; Y567-T576 HydrophobicContact CE1-CG2 3.84Å; Y567-T576 PolarHBondContact N-O 3.45Å; Y567-T576 PolarHBondContact O-N 3.03Å; Y567-T576 WeakPolarHBondContact OH-CG2 3.27Å; Y567-A578 HydrophobicContact CD1-CB 4.4Å |
| 568 | W | 83.6 | Confident | 79.5 | Confident | 53 Ų | 53 | 65.9 Ų | 65.9 | 20% | 0.201 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.4 | 118.1 | 175.1 | 176.3 | -108.2 | 0 | 0 | 0 | 110.6 | P525 P527 Y557 Q573 Y575 | P525-W568 WeakPolarHBondContact O-CH2 3.34Å; P527-W568 VanDerWaalsContact CD-CZ2 3.43Å; P527-W568 HydrophobicContact CG-CD2 3.53Å; P527-W568 HydrophobicContact CG-CE3 3.47Å; P527-W568 VanDerWaalsContact CG-CE3 3.47Å; P527-W568 HydrophobicContact CG-CG 4.07Å; P527-W568 HydrophobicContact CG-CH2 4.09Å; P527-W568 HydrophobicContact CG-CZ2 4.18Å; P527-W568 HydrophobicContact CG-CZ3 3.75Å; Y557-W568 HydrophobicContact CE2-CB 3.84Å; W568-Q573 HydrophobicContact CH2-CB 3.83Å; W568-Q573 WeakPolarHBondContact CH2-O 3.45Å; W568-Q573 VanDerWaalsContact CZ2-CA 3.43Å; W568-Q573 HydrophobicContact CZ2-CB 3.89Å; W568-Q573 HydrophobicContact CZ2-CG 4.09Å; W568-Q573 VanDerWaalsContact CZ3-C 3.46Å; W568-Y575 HydrophobicContact CE3-CD1 4.05Å; W568-Y575 HydrophobicContact CE3-CD2 4.23Å; W568-Y575 AromaticContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE2 4.01Å; W568-Y575 HydrophobicContact CE3-CG 4.26Å; W568-Y575 AromaticContact CE3-CZ 3.83Å; W568-Y575 HydrophobicContact CZ3-CD2 4.21Å; W568-Y575 AromaticContact CZ3-CE2 3.89Å; W568-Y575 HydrophobicContact CZ3-CE2 3.89Å |
| 569 | D | 80.8 | Confident | 78.3 | Confident | 22 Ų | 22 | 67.9 Ų | 67.9 | 12% | 0.118 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 107.4 | 168.8 | -174.2 | -24.4 | 0 | 0 | 0 | 109.4 | Y567 E571 K572 Q573 T574 | Y567-D569 HydrophobicContact CE2-CB 4.41Å; Y567-D569 PolarHBondContact O-N 3.29Å; D569-E571 VanDerWaalsContact C-N 3.29Å; D569-E571 PolarHBondContact O-N 3.1Å; D569-E571 WeakPolarHBondContact OD1-CA 3.49Å; D569-E571 WeakPolarHBondContact OD1-CB 3.48Å; D569-E571 PolarHBondContact OD1-N 3.08Å; D569-K572 HydrophobicContact CB-CB 4.31Å; D569-K572 PolarHBondContact O-N 3.49Å; D569-K572 PolarHBondContact OD1-N 3.31Å; D569-K572 IonicContact OD1-NZ 2.62Å; D569-K572 WeakPolarHBondContact OD2-CD 3.27Å; D569-K572 WeakPolarHBondContact OD2-CE 3.49Å; D569-K572 IonicContact OD2-NZ 2.72Å; D569-K572 PolarHBondContact OD2-NZ 3.27Å; D569-Q573 WeakPolarHBondContact O-CA 3.28Å; D569-Q573 PolarHBondContact O-N 3.29Å; D569-T574 PolarHBondContact N-O 3.1Å; D569-T574 PolarHBondContact O-N 3.31Å |
| 570 | G | 76.9 | Confident | 76.5 | Confident | 54 Ų | 54 | 73 Ų | 73 | 56% | 0.557 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.5 | -19.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 571 | E | 72.8 | Confident | 74.9 | Confident | 173 Ų | 173 | 80.4 Ų | 80.4 | 81% | 0.808 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -28.1 | 175.1 | -59.5 | -173.4 | 156.9 | 0 | 0 | 112.1 | D569 | D569-E571 VanDerWaalsContact C-N 3.29Å; D569-E571 PolarHBondContact O-N 3.1Å; D569-E571 WeakPolarHBondContact OD1-CA 3.49Å; D569-E571 WeakPolarHBondContact OD1-CB 3.48Å; D569-E571 PolarHBondContact OD1-N 3.08Å |
| 572 | K | 70.9 | Confident | 73.1 | Confident | 117 Ų | 117 | 80.8 Ų | 80.8 | 51% | 0.509 | 44% | 0.441 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -5.4 | -175.4 | -58.5 | 173.3 | -167.5 | 52.5 | 0 | 113.1 | D569 T574 | D569-K572 HydrophobicContact CB-CB 4.31Å; D569-K572 PolarHBondContact O-N 3.49Å; D569-K572 PolarHBondContact OD1-N 3.31Å; D569-K572 IonicContact OD1-NZ 2.62Å; D569-K572 WeakPolarHBondContact OD2-CD 3.27Å; D569-K572 WeakPolarHBondContact OD2-CE 3.49Å; D569-K572 IonicContact OD2-NZ 2.72Å; D569-K572 PolarHBondContact OD2-NZ 3.27Å; K572-T574 PolarHBondContact O-N 2.86Å; K572-T574 PolarHBondContact O-OG1 3.25Å |
| 573 | Q | 78.2 | Confident | 71.4 | Confident | 62 Ų | 62 | 86.5 Ų | 86.5 | 29% | 0.29 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 45.7 | 46.3 | -174.9 | -64.9 | -174.6 | -33.5 | 0 | 0 | 112.3 | Q523 Y524 W568 D569 | Q523-Q573 HydrophobicContact CG-CB 4.04Å; Y524-Q573 PolarHBondContact N-O 2.62Å; W568-Q573 HydrophobicContact CH2-CB 3.83Å; W568-Q573 WeakPolarHBondContact CH2-O 3.45Å; W568-Q573 VanDerWaalsContact CZ2-CA 3.43Å; W568-Q573 HydrophobicContact CZ2-CB 3.89Å; W568-Q573 HydrophobicContact CZ2-CG 4.09Å; W568-Q573 VanDerWaalsContact CZ3-C 3.46Å; D569-Q573 WeakPolarHBondContact O-CA 3.28Å; D569-Q573 PolarHBondContact O-N 3.29Å |
| 574 | T | 82 | Confident | 69.1 | Low | 28 Ų | 28 | 84 Ų | 84 | 17% | 0.172 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 145.7 | -169.7 | -65.7 | 0 | 0 | 0 | 0 | 110.1 | D569 K572 | D569-T574 PolarHBondContact N-O 3.1Å; D569-T574 PolarHBondContact O-N 3.31Å; K572-T574 PolarHBondContact O-N 2.86Å; K572-T574 PolarHBondContact O-OG1 3.25Å |
| 575 | Y | 80.5 | Confident | 66.7 | Low | 9 Ų | 9 | 88.7 Ų | 88.7 | 4% | 0.035 | 50% | 0.497 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 121.4 | 174.4 | -62.5 | -84 | 0 | 0 | 0 | 110.4 | P515 Y524 P527 T546 L548 Y557 M566 Y567 W568 | P515-Y575 HydrophobicContact CG-CD2 3.66Å; P515-Y575 HydrophobicContact CG-CE2 4.46Å; P515-Y575 HydrophobicContact CG-CG 4.15Å; Y524-Y575 HydrophobicContact CD1-CE2 4.24Å; Y524-Y575 HydrophobicContact CD2-CD2 4.21Å; Y524-Y575 HydrophobicContact CD2-CE2 4.45Å; Y524-Y575 HydrophobicContact CE2-CD2 4.38Å; Y524-Y575 HydrophobicContact CG-CD2 4.34Å; Y524-Y575 HydrophobicContact CG-CE2 4.13Å; P527-Y575 HydrophobicContact CG-CE1 4.28Å; P527-Y575 VanDerWaalsContact CG-OH 3.25Å; P527-Y575 WeakPolarHBondContact CG-OH 3.41Å; T546-Y575 HydrophobicContact CG2-CE2 3.83Å; L548-Y575 HydrophobicContact CD1-CD1 3.61Å; L548-Y575 HydrophobicContact CD1-CD2 3.84Å; L548-Y575 HydrophobicContact CD1-CE1 3.54Å; L548-Y575 HydrophobicContact CD1-CE2 3.76Å; L548-Y575 HydrophobicContact CD1-CG 3.74Å; Y557-Y575 HydrophobicContact CD1-CD1 4.46Å; Y557-Y575 AromaticContact CD1-CE1 3.71Å; Y557-Y575 HydrophobicContact CD1-CE1 3.71Å; Y557-Y575 AromaticContact CD2-CD1 3.95Å; Y557-Y575 HydrophobicContact CD2-CD1 3.95Å; Y557-Y575 AromaticContact CD2-CE1 3.75Å; Y557-Y575 HydrophobicContact CD2-CE1 3.75Å; Y557-Y575 AromaticContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE1-CE1 3.91Å; Y557-Y575 HydrophobicContact CE2-CD1 4.48Å; Y557-Y575 AromaticContact CE2-CE1 3.96Å; Y557-Y575 HydrophobicContact CE2-CE1 3.96Å; Y557-Y575 AromaticContact CG-CD1 3.95Å; Y557-Y575 HydrophobicContact CG-CD1 3.95Å; Y557-Y575 AromaticContact CG-CE1 3.63Å; Y557-Y575 HydrophobicContact CG-CE1 3.63Å; M566-Y575 WeakPolarHBondContact CE-O 3.34Å; Y567-Y575 WeakPolarHBondContact O-CA 3.45Å; W568-Y575 HydrophobicContact CE3-CD1 4.05Å; W568-Y575 HydrophobicContact CE3-CD2 4.23Å; W568-Y575 AromaticContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE1 3.82Å; W568-Y575 HydrophobicContact CE3-CE2 4.01Å; W568-Y575 HydrophobicContact CE3-CG 4.26Å; W568-Y575 AromaticContact CE3-CZ 3.83Å; W568-Y575 HydrophobicContact CZ3-CD2 4.21Å; W568-Y575 AromaticContact CZ3-CE2 3.89Å; W568-Y575 HydrophobicContact CZ3-CE2 3.89Å |
| 576 | T | 82.6 | Confident | 64.2 | Low | 37 Ų | 37 | 87 Ų | 87 | 23% | 0.227 | 52% | 0.515 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 132.2 | -179.6 | -56.6 | 0 | 0 | 0 | 0 | 109.7 | M566 Y567 A578 | M566-T576 CarbonylContact C-O 3.48Å; M566-T576 VanDerWaalsContact CA-O 3.23Å; M566-T576 WeakPolarHBondContact CA-O 3.24Å; Y567-T576 VanDerWaalsContact CD1-O 3.28Å; Y567-T576 WeakPolarHBondContact CD1-O 3.33Å; Y567-T576 HydrophobicContact CE1-CG2 3.84Å; Y567-T576 PolarHBondContact N-O 3.45Å; Y567-T576 PolarHBondContact O-N 3.03Å; Y567-T576 WeakPolarHBondContact OH-CG2 3.27Å; T576-A578 PolarHBondContact O-N 2.91Å |
| 577 | P | 80.7 | Confident | 61.5 | Low | 69 Ų | 69 | 91.3 Ų | 91.3 | 45% | 0.448 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -65 | 135.3 | 178.8 | 26.6 | -34.4 | 0 | 0 | 0 | 111.6 | ||
| 578 | A | 73.4 | Confident | 58.8 | Low | 32 Ų | 32 | 92.4 Ų | 92.4 | 26% | 0.264 | 58% | 0.575 | S | S | . | * | P | Polyproline II helix | trans | -81.4 | 128.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y556 Y565 Y567 T576 S580 | Y556-A578 HydrophobicContact CD1-CB 4.18Å; Y556-A578 HydrophobicContact CE1-CB 3.89Å; Y565-A578 WeakPolarHBondContact O-CB 3.22Å; Y565-A578 PolarHBondContact O-N 3.23Å; Y567-A578 HydrophobicContact CD1-CB 4.4Å; T576-A578 PolarHBondContact O-N 2.91Å; A578-S580 PolarHBondContact O-N 2.82Å |
| 579 | A | 61.9 | Low | 56.3 | Low | 103 Ų | 103 | 96.2 Ų | 96.2 | 85% | 0.851 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 123.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q581 | A579-Q581 PolarHBondContact O-N 3.39Š|
| 580 | S | 46.2 | Very low | 53.9 | Low | 107 Ų | 107 | 103.1 Ų | 103.1 | 75% | 0.748 | 63% | 0.633 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 126.8 | -176.7 | 44.1 | 0 | 0 | 0 | 0 | 111.8 | A578 S582 | A578-S580 PolarHBondContact O-N 2.82Å; S580-S582 PolarHBondContact O-N 3.11Å; S580-S582 VanDerWaalsContact O-N 3.07Å |
| 581 | Q | 44.2 | Very low | 51.5 | Low | 199 Ų | 199 | 107 Ų | 107 | 93% | 0.93 | 64% | 0.641 | S | S | * | * | trans | -78.6 | 86.6 | 169.1 | -68.8 | -172.9 | 2.7 | 0 | 0 | 109.4 | A579 | A579-Q581 PolarHBondContact O-N 3.39Š| ||
| 582 | S | 35.2 | Very low | 49.3 | Very low | 109 Ų | 109 | 102.1 Ų | 102.1 | 76% | 0.762 | 64% | 0.637 | S | S | * | * | trans | -77.5 | 131.6 | 168.4 | 49.6 | 0 | 0 | 0 | 0 | 110.5 | S580 | S580-S582 PolarHBondContact O-N 3.11Å; S580-S582 VanDerWaalsContact O-N 3.07Å | ||
| 583 | N | 34.3 | Very low | 47.2 | Very low | 166 Ų | 166 | 101.5 Ų | 101.5 | 89% | 0.888 | 65% | 0.653 | S | S | * | * | trans | -122 | 95.5 | 174 | -173.6 | 33.3 | 0 | 0 | 0 | 108.6 | ||||
| 584 | A | 30 | Very low | 44.7 | Very low | 97 Ų | 97 | 104.3 Ų | 104.3 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | trans | -156.2 | 141.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 585 | E | 32.4 | Very low | 42.2 | Very low | 198 Ų | 198 | 108 Ų | 108 | 93% | 0.925 | 71% | 0.707 | S | S | * | * | trans | -102.5 | 140.4 | 179 | -63.9 | 177.2 | 100.1 | 0 | 0 | 112 | ||||
| 586 | G | 30.8 | Very low | 39.6 | Very low | 81 Ų | 81 | 112 Ų | 112 | 84% | 0.835 | 74% | 0.736 | S | S | * | * | trans | 81.7 | 110.2 | 145.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 587 | A | 27.5 | Very low | 36.9 | Very low | 104 Ų | 104 | 117.6 Ų | 117.6 | 86% | 0.86 | 77% | 0.765 | S | S | * | * | trans | -174.2 | 159.5 | 136.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 588 | S | 28.8 | Very low | 34.4 | Very low | 120 Ų | 120 | 118.3 Ų | 118.3 | 84% | 0.839 | 77% | 0.772 | S | S | * | * | trans | -143.2 | 130.1 | -173.2 | -48.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 589 | V | 31.4 | Very low | 32.2 | Very low | 134 Ų | 134 | 123.1 Ų | 123.1 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -155.6 | 118.7 | 157.5 | -161.7 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 590 | K | 30.3 | Very low | 30.6 | Very low | 166 Ų | 166 | 122.4 Ų | 122.4 | 72% | 0.722 | 79% | 0.792 | S | S | * | * | 56.8 | 142.6 | 74.1 | -70.5 | -173.6 | 145.7 | -72.8 | 0 | 113.9 | |||||
| 591 | D | 26.3 | Very low | 29.8 | Very low | 136 Ų | 136 | 122.8 Ų | 122.8 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -155.3 | 161.9 | -18.6 | -79.8 | -40.3 | 0 | 0 | 0 | 105.1 | ||||
| 592 | G | 27.8 | Very low | 29.1 | Very low | 70 Ų | 70 | 122.1 Ų | 122.1 | 72% | 0.722 | 79% | 0.788 | S | S | * | * | cis | 167.2 | -166.6 | -0.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 593 | A | 26.3 | Very low | 29 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 74.9 | 117.4 | 165.4 | 0 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 594 | S | 26.4 | Very low | 29.2 | Very low | 122 Ų | 122 | 126.6 Ų | 126.6 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 4.1 | 143.4 | 148.5 | -55.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 595 | S | 28.5 | Very low | 29.3 | Very low | 106 Ų | 106 | 132.1 Ų | 132.1 | 74% | 0.741 | 80% | 0.795 | S | S | * | * | -177.4 | 150.4 | 88.7 | -163.5 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 596 | S | 27.2 | Very low | 29.3 | Very low | 93 Ų | 93 | 131.6 Ų | 131.6 | 65% | 0.65 | 79% | 0.792 | S | S | * | * | trans | 24.8 | 116.7 | 149.8 | 58.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 597 | D | 24.3 | Very low | 29.6 | Very low | 154 Ų | 154 | 137.3 Ų | 137.3 | 82% | 0.824 | 79% | 0.794 | S | S | * | * | 86.9 | 132.6 | 91.1 | -159.5 | 42.5 | 0 | 0 | 0 | 111.8 | |||||
| 598 | S | 29.3 | Very low | 30.2 | Very low | 84 Ų | 84 | 137.8 Ų | 137.8 | 59% | 0.587 | 79% | 0.788 | S | S | * | * | cis | -157.6 | 157.4 | 33.3 | 53.8 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 599 | T | 27.4 | Very low | 31.1 | Very low | 133 Ų | 133 | 140.2 Ų | 140.2 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | 49.4 | 135.3 | 151 | 55.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 600 | A | 27.4 | Very low | 32.1 | Very low | 88 Ų | 88 | 138.5 Ų | 138.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 121.2 | 89 | 134.5 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 601 | S | 29.5 | Very low | 33.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | 72.4 | 115.2 | 124.7 | -56.1 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 602 | K | 30.1 | Very low | 35.2 | Very low | 186 Ų | 186 | 135.8 Ų | 135.8 | 81% | 0.809 | 77% | 0.767 | S | S | * | * | trans | 70.8 | 149.5 | 139.2 | -98.2 | -168.5 | 160.8 | -146.4 | 0 | 118.1 | ||||
| 603 | E | 33.4 | Very low | 36.8 | Very low | 159 Ų | 159 | 135.7 Ų | 135.7 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | cis | -130.2 | 177.4 | 5.7 | -66.2 | -155.1 | 117.5 | 0 | 0 | 113.9 | ||||
| 604 | K | 37.2 | Very low | 39.2 | Very low | 210 Ų | 210 | 137.6 Ų | 137.6 | 91% | 0.913 | 75% | 0.75 | S | S | * | * | trans | -93.3 | 149.9 | -177.9 | -61.4 | 174.1 | 179.1 | 175.4 | 0 | 112.6 | ||||
| 605 | K | 32.8 | Very low | 41.6 | Very low | 213 Ų | 213 | 138.6 Ų | 138.6 | 93% | 0.926 | 74% | 0.741 | S | S | * | * | trans | -143 | 148 | 149.9 | -159.7 | 165.3 | -175.9 | 175 | 0 | 110.4 | ||||
| 606 | E | 32.9 | Very low | 44 | Very low | 186 Ų | 186 | 138.1 Ų | 138.1 | 87% | 0.869 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -85.3 | 153 | -158.2 | -60.1 | 179.1 | 102.1 | 0 | 0 | 115.8 | ||
| 607 | K | 36.4 | Very low | 46.4 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 87% | 0.874 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -99.9 | 120 | 164.1 | -88.6 | -175.3 | 173.6 | 178.1 | 0 | 110.6 | ||
| 608 | P | 41.6 | Very low | 49.5 | Very low | 115 Ų | 115 | 135.9 Ų | 135.9 | 75% | 0.747 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -80 | 123.7 | 171.2 | 29.6 | -31.9 | 0 | 0 | 0 | 113.1 | ||
| 609 | K | 46.3 | Very low | 52 | Low | 170 Ų | 170 | 137 Ų | 137 | 74% | 0.739 | 71% | 0.711 | S | S | * | * | trans | 60.6 | 69.3 | 138.6 | -54.6 | 175.7 | -175 | 177.4 | 0 | 118.5 | K611 | K609-K611 PolarHBondContact O-N 3.39Š| ||
| 610 | S | 53.8 | Low | 54.5 | Low | 98 Ų | 98 | 136.3 Ų | 136.3 | 69% | 0.685 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -19.5 | 162.3 | 54.4 | 0 | 0 | 0 | 0 | 114.6 | T612 A613 | S610-T612 VanDerWaalsContact C-N 3.29Å; S610-T612 PolarHBondContact O-N 2.91Å; S610-A613 PolarHBondContact O-N 3.38Å |
| 611 | K | 57 | Low | 57.4 | Low | 165 Ų | 165 | 136.8 Ų | 136.8 | 72% | 0.717 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -58.3 | -36.3 | -178.2 | -66.8 | -175.9 | 176.4 | -178.5 | 0 | 113.1 | K609 A613 Q614 Q615 | K609-K611 PolarHBondContact O-N 3.39Å; K611-A613 PolarHBondContact O-N 2.87Å; K611-Q614 PolarHBondContact O-N 3.42Å; K611-Q615 PolarHBondContact O-N 2.86Å; K611-Q615 VanDerWaalsContact O-N 3.08Å |
| 612 | T | 64.4 | Low | 60 | Low | 81 Ų | 81 | 139.8 Ų | 139.8 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -63.2 | -42.1 | -176.6 | -50.7 | 0 | 0 | 0 | 0 | 112.5 | S610 Q615 I616 | S610-T612 VanDerWaalsContact C-N 3.29Å; S610-T612 PolarHBondContact O-N 2.91Å; T612-Q615 PolarHBondContact O-N 3.48Å; T612-I616 HydrophobicContact CG2-CD1 4.09Å; T612-I616 WeakPolarHBondContact O-CG1 3.42Å; T612-I616 PolarHBondContact O-N 3.37Å |
| 613 | A | 61.6 | Low | 62 | Low | 68 Ų | 68 | 139.4 Ų | 139.4 | 56% | 0.562 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -66 | -40.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S610 K611 Q615 I616 A617 | S610-A613 PolarHBondContact O-N 3.38Å; K611-A613 PolarHBondContact O-N 2.87Å; A613-Q615 VanDerWaalsContact C-N 3.31Å; A613-Q615 PolarHBondContact O-N 3.08Å; A613-I616 PolarHBondContact O-N 3.38Å; A613-A617 PolarHBondContact O-N 3.04Å |
| 614 | Q | 75.1 | Confident | 64.5 | Low | 144 Ų | 144 | 134.1 Ų | 134.1 | 67% | 0.673 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -67.7 | -31.8 | 175.2 | -72.3 | -176.3 | -25.8 | 0 | 0 | 112.5 | K611 K618 | K611-Q614 PolarHBondContact O-N 3.42Å; Q614-K618 PolarHBondContact O-N 3.47Å |
| 615 | Q | 77.4 | Confident | 66.7 | Low | 142 Ų | 142 | 130.4 Ų | 130.4 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -71.2 | -42.3 | 175.9 | -168 | 161.9 | -11.8 | 0 | 0 | 111.7 | K611 T612 A613 A617 K618 D619 | K611-Q615 PolarHBondContact O-N 2.86Å; K611-Q615 VanDerWaalsContact O-N 3.08Å; T612-Q615 PolarHBondContact O-N 3.48Å; A613-Q615 VanDerWaalsContact C-N 3.31Å; A613-Q615 PolarHBondContact O-N 3.08Å; Q615-A617 PolarHBondContact O-N 3.45Å; Q615-K618 PolarHBondContact O-N 3.41Å; Q615-D619 WeakPolarHBondContact O-CB 3.47Å; Q615-D619 PolarHBondContact O-N 2.93Å |
| 616 | I | 78.2 | Confident | 69.2 | Low | 97 Ų | 97 | 123.5 Ų | 123.5 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -58.6 | -46.2 | 171.6 | -67.6 | 164 | 0 | 0 | 0 | 110.8 | T612 A613 K618 D619 M620 | T612-I616 HydrophobicContact CG2-CD1 4.09Å; T612-I616 WeakPolarHBondContact O-CG1 3.42Å; T612-I616 PolarHBondContact O-N 3.37Å; A613-I616 PolarHBondContact O-N 3.38Å; I616-K618 PolarHBondContact O-N 3.36Å; I616-D619 PolarHBondContact O-N 3.46Å; I616-M620 HydrophobicContact CG2-CG 4.42Å; I616-M620 HydrophobicContact CG2-SD 4.09Å; I616-M620 WeakPolarHBondContact O-CG 3.28Å; I616-M620 PolarHBondContact O-N 2.93Å |
| 617 | A | 78.5 | Confident | 71.7 | Confident | 58 Ų | 58 | 118.9 Ų | 118.9 | 48% | 0.479 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -60.4 | -44.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A613 Q615 D619 E621 | A613-A617 PolarHBondContact O-N 3.04Å; Q615-A617 PolarHBondContact O-N 3.45Å; A617-D619 VanDerWaalsContact C-N 3.33Å; A617-D619 PolarHBondContact O-N 3.19Å; A617-E621 PolarHBondContact O-N 2.71Å |
| 618 | K | 89.3 | Confident | 73.9 | Confident | 141 Ų | 141 | 113.5 Ų | 113.5 | 61% | 0.613 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.4 | -34.7 | 175 | -97.8 | 179.6 | 174.5 | 173.6 | 0 | 113.1 | Q614 Q615 I616 E621 R622 | Q614-K618 PolarHBondContact O-N 3.47Å; Q615-K618 PolarHBondContact O-N 3.41Å; I616-K618 PolarHBondContact O-N 3.36Å; K618-E621 PolarHBondContact O-N 2.86Å; K618-R622 VanDerWaalsContact O-CG 3.3Å; K618-R622 WeakPolarHBondContact O-CG 3.47Å; K618-R622 PolarHBondContact O-N 3.33Å |
| 619 | D | 82.6 | Confident | 75.8 | Confident | 108 Ų | 108 | 116.5 Ų | 116.5 | 58% | 0.578 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -75.2 | -39.2 | 179.8 | -157.6 | 51.9 | 0 | 0 | 0 | 111.8 | Q615 I616 A617 E621 R622 W623 | Q615-D619 WeakPolarHBondContact O-CB 3.47Å; Q615-D619 PolarHBondContact O-N 2.93Å; I616-D619 PolarHBondContact O-N 3.46Å; A617-D619 VanDerWaalsContact C-N 3.33Å; A617-D619 PolarHBondContact O-N 3.19Å; D619-E621 VanDerWaalsContact C-N 3.3Å; D619-E621 PolarHBondContact O-N 2.9Å; D619-R622 PolarHBondContact O-N 3.05Å; D619-W623 WeakPolarHBondContact O-CB 3.45Å; D619-W623 PolarHBondContact O-N 3.01Å |
| 620 | M | 79.9 | Confident | 77.1 | Confident | 118 Ų | 118 | 114.5 Ų | 114.5 | 58% | 0.581 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -58.9 | -40.3 | 168.7 | -70.7 | -179.5 | 70.7 | 0 | 0 | 112.2 | I616 W623 A624 | I616-M620 HydrophobicContact CG2-CG 4.42Å; I616-M620 HydrophobicContact CG2-SD 4.09Å; I616-M620 WeakPolarHBondContact O-CG 3.28Å; I616-M620 PolarHBondContact O-N 2.93Å; M620-W623 PolarHBondContact O-N 3.46Å; M620-A624 WeakPolarHBondContact O-CB 3.5Å; M620-A624 PolarHBondContact O-N 3.42Å |
| 621 | E | 88.1 | Confident | 78.5 | Confident | 98 Ų | 98 | 115.3 Ų | 115.3 | 46% | 0.458 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.8 | -43.2 | 175.5 | -162.9 | -157.8 | 153 | 0 | 0 | 112 | A617 K618 D619 A624 K625 | A617-E621 PolarHBondContact O-N 2.71Å; K618-E621 PolarHBondContact O-N 2.86Å; D619-E621 VanDerWaalsContact C-N 3.3Å; D619-E621 PolarHBondContact O-N 2.9Å; E621-A624 PolarHBondContact O-N 3Å; E621-K625 HydrophobicContact CG-CD 4.47Å; E621-K625 WeakPolarHBondContact O-CB 3.48Å; E621-K625 WeakPolarHBondContact O-CG 3.31Å; E621-K625 PolarHBondContact O-N 3.23Å; E621-K625 WeakPolarHBondContact OE1-CE 3.43Å; E621-K625 IonicContact OE1-NZ 3.63Å; E621-K625 PolarHBondContact OE1-NZ 3.45Å |
| 622 | R | 82.9 | Confident | 78.9 | Confident | 177 Ų | 177 | 113.4 Ų | 113.4 | 67% | 0.668 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.4 | -41.9 | 175.1 | -75.4 | 174.1 | 177.4 | -80.7 | 1.2 | 111.9 | K618 D619 K625 S626 | K618-R622 VanDerWaalsContact O-CG 3.3Å; K618-R622 WeakPolarHBondContact O-CG 3.47Å; K618-R622 PolarHBondContact O-N 3.33Å; D619-R622 PolarHBondContact O-N 3.05Å; R622-K625 PolarHBondContact O-N 2.9Å; R622-S626 WeakPolarHBondContact O-CB 3.3Å; R622-S626 PolarHBondContact O-N 2.81Å |
| 623 | W | 71.9 | Confident | 78.8 | Confident | 179 Ų | 179 | 114.1 Ų | 114.1 | 68% | 0.678 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.4 | -46.4 | 176.4 | -177.5 | 57 | 0 | 0 | 0 | 111.6 | D619 M620 K625 S626 L627 | D619-W623 WeakPolarHBondContact O-CB 3.45Å; D619-W623 PolarHBondContact O-N 3.01Å; M620-W623 PolarHBondContact O-N 3.46Å; W623-K625 PolarHBondContact O-N 2.93Å; W623-S626 PolarHBondContact O-N 3Å; W623-L627 WeakPolarHBondContact O-CB 3.44Å; W623-L627 PolarHBondContact O-N 3.4Å |
| 624 | A | 85.9 | Confident | 78.4 | Confident | 47 Ų | 47 | 117.2 Ų | 117.2 | 39% | 0.388 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -61.5 | -41.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | M620 E621 L627 N628 | M620-A624 WeakPolarHBondContact O-CB 3.5Å; M620-A624 PolarHBondContact O-N 3.42Å; E621-A624 PolarHBondContact O-N 3Å; A624-L627 PolarHBondContact O-N 3.32Å; A624-N628 PolarHBondContact O-N 3.09Å |
| 625 | K | 84.1 | Confident | 77.5 | Confident | 132 Ų | 132 | 118.2 Ų | 118.2 | 57% | 0.574 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64.5 | -40.4 | 174.4 | -77.3 | 173.1 | 171.3 | 174.7 | 0 | 112.2 | E621 R622 W623 R629 | E621-K625 HydrophobicContact CG-CD 4.47Å; E621-K625 WeakPolarHBondContact O-CB 3.48Å; E621-K625 WeakPolarHBondContact O-CG 3.31Å; E621-K625 PolarHBondContact O-N 3.23Å; E621-K625 WeakPolarHBondContact OE1-CE 3.43Å; E621-K625 IonicContact OE1-NZ 3.63Å; E621-K625 PolarHBondContact OE1-NZ 3.45Å; R622-K625 PolarHBondContact O-N 2.9Å; W623-K625 PolarHBondContact O-N 2.93Å; K625-R629 WeakPolarHBondContact O-CB 3.42Å; K625-R629 PolarHBondContact O-N 3.06Å |
| 626 | S | 86.2 | Confident | 76.1 | Confident | 68 Ų | 68 | 115.2 Ų | 115.2 | 48% | 0.476 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.2 | -44.5 | 174.7 | -165.6 | 0 | 0 | 0 | 0 | 112 | R622 W623 N628 R629 Q630 | R622-S626 WeakPolarHBondContact O-CB 3.3Å; R622-S626 PolarHBondContact O-N 2.81Å; W623-S626 PolarHBondContact O-N 3Å; S626-N628 PolarHBondContact O-N 3.23Å; S626-R629 PolarHBondContact O-N 3.43Å; S626-Q630 WeakPolarHBondContact O-CB 3.44Å; S626-Q630 PolarHBondContact O-N 3.5Å |
| 627 | L | 84.6 | Confident | 74.6 | Confident | 90 Ų | 90 | 116.7 Ų | 116.7 | 47% | 0.471 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -60.7 | -44.9 | 177.4 | -168.6 | 82.2 | 0 | 0 | 0 | 111.9 | W623 A624 Q630 K631 | W623-L627 WeakPolarHBondContact O-CB 3.44Å; W623-L627 PolarHBondContact O-N 3.4Å; A624-L627 PolarHBondContact O-N 3.32Å; L627-Q630 PolarHBondContact O-N 3.28Å; L627-K631 VanDerWaalsContact O-CB 3.3Å; L627-K631 WeakPolarHBondContact O-CB 3.4Å; L627-K631 PolarHBondContact O-N 3.48Å |
| 628 | N | 83.5 | Confident | 72.8 | Confident | 88 Ų | 88 | 118.6 Ų | 118.6 | 47% | 0.471 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -67 | -42.9 | 176.9 | -83.7 | -8.7 | 0 | 0 | 0 | 111.9 | A624 S626 Q630 K631 E632 | A624-N628 PolarHBondContact O-N 3.09Å; S626-N628 PolarHBondContact O-N 3.23Å; N628-Q630 VanDerWaalsContact C-N 3.31Å; N628-Q630 PolarHBondContact O-N 3.45Å; N628-K631 CarbonylContact O-C 3.6Å; N628-K631 WeakPolarHBondContact O-CB 3.39Å; N628-K631 PolarHBondContact O-N 3.09Å; N628-K631 VanDerWaalsContact O-N 3.11Å; N628-E632 WeakPolarHBondContact O-CB 3.36Å; N628-E632 WeakPolarHBondContact O-CG 3.34Å; N628-E632 PolarHBondContact O-N 3.2Å |
| 629 | R | 81.3 | Confident | 70.1 | Confident | 177 Ų | 177 | 115.9 Ų | 115.9 | 67% | 0.668 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -59.1 | -40.9 | 173.4 | -179.2 | 175.8 | 174 | -121.7 | 3.7 | 112 | K625 S626 E632 N633 | K625-R629 WeakPolarHBondContact O-CB 3.42Å; K625-R629 PolarHBondContact O-N 3.06Å; S626-R629 PolarHBondContact O-N 3.43Å; R629-E632 PolarHBondContact O-N 3Å; R629-N633 WeakPolarHBondContact O-CB 3.47Å; R629-N633 PolarHBondContact O-N 2.82Å; R629-N633 PolarHBondContact O-OD1 2.86Å |
| 630 | Q | 73.8 | Confident | 67.7 | Low | 129 Ų | 129 | 116.3 Ų | 116.3 | 60% | 0.603 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -65.9 | -40.1 | 174.8 | -169.9 | 175.8 | 6.7 | 0 | 0 | 111.8 | S626 L627 N628 E632 N633 M634 | S626-Q630 WeakPolarHBondContact O-CB 3.44Å; S626-Q630 PolarHBondContact O-N 3.5Å; L627-Q630 PolarHBondContact O-N 3.28Å; N628-Q630 VanDerWaalsContact C-N 3.31Å; N628-Q630 PolarHBondContact O-N 3.45Å; Q630-E632 VanDerWaalsContact C-N 3.33Å; Q630-N633 PolarHBondContact O-N 3.27Å; Q630-M634 VanDerWaalsContact O-CG 3.27Å; Q630-M634 WeakPolarHBondContact O-CG 3.29Å; Q630-M634 PolarHBondContact O-N 2.92Å |
| 631 | K | 81.4 | Confident | 65.7 | Low | 115 Ų | 115 | 117 Ų | 117 | 50% | 0.5 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -66.6 | -32.3 | 176 | -172.1 | 176.8 | -177.9 | 178.2 | 0 | 112.7 | L627 N628 R635 | L627-K631 VanDerWaalsContact O-CB 3.3Å; L627-K631 WeakPolarHBondContact O-CB 3.4Å; L627-K631 PolarHBondContact O-N 3.48Å; N628-K631 CarbonylContact O-C 3.6Å; N628-K631 WeakPolarHBondContact O-CB 3.39Å; N628-K631 PolarHBondContact O-N 3.09Å; N628-K631 VanDerWaalsContact O-N 3.11Å; K631-R635 VanDerWaalsContact O-CG 3.31Å; K631-R635 WeakPolarHBondContact O-CG 3.45Å; K631-R635 PolarHBondContact O-N 2.9Å |
| 632 | E | 66.5 | Low | 62.9 | Low | 124 Ų | 124 | 117.1 Ų | 117.1 | 58% | 0.579 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -75.6 | -42.9 | 173.9 | -74.8 | 174 | 171.8 | 0 | 0 | 111.8 | N628 R629 Q630 M634 R635 S636 | N628-E632 WeakPolarHBondContact O-CB 3.36Å; N628-E632 WeakPolarHBondContact O-CG 3.34Å; N628-E632 PolarHBondContact O-N 3.2Å; R629-E632 PolarHBondContact O-N 3Å; Q630-E632 VanDerWaalsContact C-N 3.33Å; E632-M634 PolarHBondContact O-N 3.23Å; E632-R635 CarbonylContact O-C 3.55Å; E632-R635 WeakPolarHBondContact O-CA 3.17Å; E632-R635 WeakPolarHBondContact O-CB 3.47Å; E632-R635 PolarHBondContact O-N 3.39Å; E632-S636 PolarHBondContact O-N 3Å; E632-S636 PolarHBondContact O-OG 2.77Å |
| 633 | N | 62.7 | Low | 60.5 | Low | 96 Ų | 96 | 116 Ų | 116 | 51% | 0.513 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -58.3 | -33.2 | 170.7 | -85.8 | 47.2 | 0 | 0 | 0 | 113 | R629 Q630 S636 V637 | R629-N633 WeakPolarHBondContact O-CB 3.47Å; R629-N633 PolarHBondContact O-N 2.82Å; R629-N633 PolarHBondContact O-OD1 2.86Å; Q630-N633 PolarHBondContact O-N 3.27Å; N633-S636 PolarHBondContact O-OG 2.79Å; N633-V637 WeakPolarHBondContact O-CG2 3.37Å |
| 634 | M | 52.8 | Low | 58.6 | Low | 134 Ų | 134 | 110.6 Ų | 110.6 | 66% | 0.66 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -74.7 | -25.6 | 173.3 | -67.6 | -68.5 | -69.4 | 0 | 0 | 112.7 | Q630 E632 S638 | Q630-M634 VanDerWaalsContact O-CG 3.27Å; Q630-M634 WeakPolarHBondContact O-CG 3.29Å; Q630-M634 PolarHBondContact O-N 2.92Å; E632-M634 PolarHBondContact O-N 3.23Å; M634-S638 PolarHBondContact O-OG 2.85Å |
| 635 | R | 56.3 | Low | 55.9 | Low | 165 Ų | 165 | 114.3 Ų | 114.3 | 62% | 0.623 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82 | -41.3 | 177.5 | -79 | 170.2 | 161.3 | -168 | -10.4 | 112.5 | K631 E632 V637 S638 | K631-R635 VanDerWaalsContact O-CG 3.31Å; K631-R635 WeakPolarHBondContact O-CG 3.45Å; K631-R635 PolarHBondContact O-N 2.9Å; E632-R635 CarbonylContact O-C 3.55Å; E632-R635 WeakPolarHBondContact O-CA 3.17Å; E632-R635 WeakPolarHBondContact O-CB 3.47Å; E632-R635 PolarHBondContact O-N 3.39Å; R635-V637 VanDerWaalsContact C-N 3.29Å; R635-V637 PolarHBondContact O-N 3.4Å; R635-S638 WeakPolarHBondContact O-CB 2.98Å; R635-S638 PolarHBondContact O-N 3.48Å |
| 636 | S | 47.2 | Very low | 53.4 | Low | 79 Ų | 79 | 112.8 Ų | 112.8 | 55% | 0.552 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -65.2 | -30.9 | 179.3 | 57.5 | 0 | 0 | 0 | 0 | 113.2 | E632 N633 S638 | E632-S636 PolarHBondContact O-N 3Å; E632-S636 PolarHBondContact O-OG 2.77Å; N633-S636 PolarHBondContact O-OG 2.79Å; S636-S638 PolarHBondContact O-N 2.82Å |
| 637 | V | 46.5 | Very low | 50.6 | Low | 127 Ų | 127 | 121.2 Ų | 121.2 | 77% | 0.77 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70 | -12.9 | 171.9 | 174.9 | 0 | 0 | 0 | 0 | 112.7 | N633 R635 | N633-V637 WeakPolarHBondContact O-CG2 3.37Å; R635-V637 VanDerWaalsContact C-N 3.29Å; R635-V637 PolarHBondContact O-N 3.4Å |
| 638 | S | 40.2 | Very low | 47.9 | Very low | 98 Ų | 98 | 120.4 Ų | 120.4 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.2 | 11.2 | -175.1 | -57 | 0 | 0 | 0 | 0 | 114.6 | M634 R635 S636 | M634-S638 PolarHBondContact O-OG 2.85Å; R635-S638 WeakPolarHBondContact O-CB 2.98Å; R635-S638 PolarHBondContact O-N 3.48Å; S636-S638 PolarHBondContact O-N 2.82Å |
| 639 | S | 34.3 | Very low | 46 | Very low | 84 Ų | 84 | 122.9 Ų | 122.9 | 59% | 0.587 | 72% | 0.715 | S | S | * | * | trans | -146.7 | 71 | -171.5 | 62.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 640 | S | 31.7 | Very low | 43.4 | Very low | 118 Ų | 118 | 118.2 Ų | 118.2 | 83% | 0.825 | 72% | 0.722 | S | S | * | * | trans | -166.5 | 148.3 | 143.6 | -83.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 641 | P | 37.3 | Very low | 41.2 | Very low | 133 Ų | 133 | 120.8 Ų | 120.8 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -86.3 | 169.9 | -175.3 | 36.1 | -36.8 | 0 | 0 | 0 | 113.5 | ||||
| 642 | A | 30 | Very low | 38.6 | Very low | 99 Ų | 99 | 119.6 Ų | 119.6 | 82% | 0.818 | 74% | 0.739 | S | S | * | * | trans | -120.4 | 136.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 643 | V | 32.8 | Very low | 36.9 | Very low | 155 Ų | 155 | 124.8 Ų | 124.8 | 94% | 0.939 | 75% | 0.754 | S | S | * | * | trans | -141.4 | 150.8 | 158 | -175 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 644 | G | 31.1 | Very low | 35.3 | Very low | 64 Ų | 64 | 129 Ų | 129 | 66% | 0.66 | 77% | 0.767 | S | S | * | * | trans | -148.6 | -178.2 | -170.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 645 | S | 30.4 | Very low | 34.3 | Very low | 126 Ų | 126 | 128.5 Ų | 128.5 | 88% | 0.881 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 132.8 | 178.7 | -72.5 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 646 | S | 30 | Very low | 33.2 | Very low | 99 Ų | 99 | 127.2 Ų | 127.2 | 69% | 0.692 | 77% | 0.773 | S | S | * | * | cis | -168.7 | 173.7 | 11.4 | 55.8 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 647 | R | 28.4 | Very low | 32.3 | Very low | 246 Ų | 246 | 131.8 Ų | 131.8 | 93% | 0.928 | 78% | 0.779 | S | S | * | * | trans | 73.6 | 152.7 | 168.6 | -57.5 | 179.3 | 175.1 | -169.9 | -3.1 | 117.3 | ||||
| 648 | G | 28.5 | Very low | 32 | Very low | 72 Ų | 72 | 134 Ų | 134 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | trans | -140.8 | -155 | 169.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 649 | P | 42.8 | Very low | 31.8 | Very low | 141 Ų | 141 | 136 Ų | 136 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | cis | -125.3 | 170.7 | -1.5 | 41.2 | -27.6 | 0 | 0 | 0 | 114.1 | ||||
| 650 | G | 26.1 | Very low | 32.4 | Very low | 79 Ų | 79 | 137.6 Ų | 137.6 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 151.8 | 141.2 | 160.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 651 | H | 28.7 | Very low | 32.6 | Very low | 182 Ų | 182 | 136.8 Ų | 136.8 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -1.3 | 137.9 | 161.6 | -91 | -78.4 | 0 | 0 | 0 | 124.4 | ||||
| 652 | S | 27 | Very low | 32.6 | Very low | 90 Ų | 90 | 136 Ų | 136 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | trans | 67.2 | 118.1 | 130.5 | -65.3 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 653 | R | 30.6 | Very low | 32.8 | Very low | 234 Ų | 234 | 135.4 Ų | 135.4 | 88% | 0.883 | 78% | 0.777 | S | S | * | * | 75.6 | 132.6 | 128.3 | -70.4 | -172.4 | 177.3 | -169.1 | 0.1 | 122.7 | |||||
| 654 | F | 27.7 | Very low | 32.9 | Very low | 183 Ų | 183 | 135.5 Ų | 135.5 | 80% | 0.803 | 77% | 0.772 | S | S | * | * | trans | 71.8 | 108.1 | 141.2 | -117.9 | -112.6 | 0 | 0 | 0 | 121.6 | ||||
| 655 | D | 32.2 | Very low | 33.1 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 78% | 0.783 | S | S | * | * | trans | 60.1 | 153.5 | 131.7 | -92.7 | -48.1 | 0 | 0 | 0 | 126 | ||||
| 656 | D | 33.1 | Very low | 33.1 | Very low | 137 Ų | 137 | 134.6 Ų | 134.6 | 73% | 0.733 | 77% | 0.772 | S | S | * | * | trans | 80.3 | 123.1 | 145.8 | -105.1 | -35.6 | 0 | 0 | 0 | 124.6 | ||||
| 657 | Y | 29.6 | Very low | 33.2 | Very low | 175 Ų | 175 | 140.8 Ų | 140.8 | 69% | 0.686 | 78% | 0.782 | S | S | * | * | 81.5 | 128.2 | 127.6 | -137.3 | -130.6 | 0 | 0 | 0 | 123.2 | |||||
| 658 | R | 39.1 | Very low | 33.6 | Very low | 174 Ų | 174 | 133 Ų | 133 | 66% | 0.657 | 77% | 0.77 | S | S | * | * | trans | 100.4 | 89.4 | 135.2 | -149.3 | 159.9 | -150.1 | 154.1 | 13.4 | 123 | ||||
| 659 | E | 36.3 | Very low | 33.7 | Very low | 141 Ų | 141 | 135.3 Ų | 135.3 | 66% | 0.659 | 77% | 0.769 | S | S | * | * | 57.5 | 99.8 | 110.3 | -158.1 | 172 | -143.1 | 0 | 0 | 121.4 | |||||
| 660 | S | 47.6 | Very low | 33.3 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | 47.4 | 102.5 | 122.5 | -50.4 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 661 | A | 36.1 | Very low | 33.9 | Very low | 101 Ų | 101 | 141.6 Ų | 141.6 | 84% | 0.835 | 77% | 0.77 | S | S | * | * | trans | -179 | 160.2 | 144.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 662 | S | 37 | Very low | 34.1 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | cis | -172.5 | 167.7 | -24.2 | 63.4 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 663 | A | 34.4 | Very low | 34.5 | Very low | 87 Ų | 87 | 147.8 Ų | 147.8 | 72% | 0.719 | 78% | 0.783 | S | S | * | * | cis | -152.1 | 145.7 | -6.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 664 | D | 34.9 | Very low | 34.4 | Very low | 157 Ų | 157 | 140.1 Ų | 140.1 | 84% | 0.84 | 78% | 0.777 | S | S | * | * | trans | 24.8 | 112.9 | 130.6 | -167.3 | 18.2 | 0 | 0 | 0 | 120.8 | ||||
| 665 | A | 35.6 | Very low | 34.4 | Very low | 107 Ų | 107 | 135.9 Ų | 135.9 | 88% | 0.884 | 78% | 0.775 | S | S | * | * | trans | -174.6 | 130.5 | 146.8 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 666 | G | 30.5 | Very low | 34.2 | Very low | 63 Ų | 63 | 137.6 Ų | 137.6 | 65% | 0.649 | 78% | 0.783 | S | S | * | * | cis | -179.1 | 170.1 | -10.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 667 | Y | 32.2 | Very low | 34 | Very low | 230 Ų | 230 | 135.3 Ų | 135.3 | 90% | 0.902 | 78% | 0.778 | S | S | * | * | trans | 64.7 | 96.8 | 169.2 | -99.1 | -93.7 | 0 | 0 | 0 | 120.3 | ||||
| 668 | A | 35.5 | Very low | 33.8 | Very low | 82 Ų | 82 | 134.5 Ų | 134.5 | 68% | 0.678 | 78% | 0.781 | S | S | * | * | trans | -88.7 | -174.7 | 142.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 669 | V | 31.4 | Very low | 33.3 | Very low | 120 Ų | 120 | 135.7 Ų | 135.7 | 73% | 0.727 | 79% | 0.785 | S | S | * | * | trans | 78.4 | 105.9 | 168.3 | -171.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 670 | L | 33.4 | Very low | 33.2 | Very low | 164 Ų | 164 | 135.9 Ų | 135.9 | 86% | 0.859 | 80% | 0.796 | S | S | * | * | -155.9 | 111.5 | 114.6 | -111.7 | 172.4 | 0 | 0 | 0 | 111.5 | |||||
| 671 | E | 39.6 | Very low | 32.8 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | -83.5 | 116.2 | 170.5 | -64.5 | -173.1 | 129.8 | 0 | 0 | 110.6 | ||||
| 672 | K | 33.1 | Very low | 32.5 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 79% | 0.787 | S | S | * | * | trans | -156.8 | 78.3 | 162.8 | -141.4 | 167.9 | -175.2 | 177.7 | 0 | 117 | ||||
| 673 | K | 35 | Very low | 32 | Very low | 212 Ų | 212 | 138.9 Ų | 138.9 | 92% | 0.922 | 79% | 0.786 | S | S | * | * | trans | 27.3 | 104.5 | 132.1 | -171.4 | -179.6 | -173.3 | 177.2 | 0 | 117.5 | ||||
| 674 | G | 27.8 | Very low | 32 | Very low | 73 Ų | 73 | 141.8 Ų | 141.8 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | -179.2 | 80.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 675 | A | 28.8 | Very low | 31.6 | Very low | 93 Ų | 93 | 140.9 Ų | 140.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | 61.5 | 138.7 | 148.4 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 676 | L | 26.7 | Very low | 31.2 | Very low | 161 Ų | 161 | 143.2 Ų | 143.2 | 84% | 0.843 | 78% | 0.776 | S | S | * | * | trans | 64.8 | 145.1 | 166.3 | -44.9 | -177.9 | 0 | 0 | 0 | 117 | ||||
| 677 | S | 28.7 | Very low | 31.2 | Very low | 89 Ų | 89 | 147.1 Ų | 147.1 | 62% | 0.622 | 78% | 0.781 | S | S | * | * | cis | -168.9 | 150.4 | -25.3 | -99.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 678 | E | 26.4 | Very low | 31.1 | Very low | 158 Ų | 158 | 146.7 Ų | 146.7 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | cis | -144.3 | -146.5 | -7.6 | -157.2 | 41.1 | 57.5 | 0 | 0 | 110.9 | ||||
| 679 | R | 29.1 | Very low | 30.8 | Very low | 199 Ų | 199 | 151 Ų | 151 | 75% | 0.751 | 78% | 0.784 | S | S | * | * | trans | -127.4 | 120.2 | -159.4 | -163.7 | -169.3 | -146.7 | 98.3 | 2.1 | 114.1 | P681 | R679-P681 HydrophobicContact CG-CG 4.46Š| ||
| 680 | V | 33.1 | Very low | 30.5 | Very low | 145 Ų | 145 | 151.2 Ų | 151.2 | 88% | 0.879 | 79% | 0.791 | S | S | * | * | trans | -93.3 | 127.3 | 157.4 | 176.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 681 | P | 40.3 | Very low | 30.3 | Very low | 90 Ų | 90 | 149.6 Ų | 149.6 | 58% | 0.584 | 79% | 0.787 | S | S | * | * | trans | -135.3 | 147 | 150.4 | 35 | -20.6 | 0 | 0 | 0 | 113.8 | R679 | R679-P681 HydrophobicContact CG-CG 4.46Š| ||
| 682 | S | 29.5 | Very low | 29.8 | Very low | 125 Ų | 125 | 148.5 Ų | 148.5 | 87% | 0.874 | 78% | 0.782 | S | S | * | * | trans | -10.1 | 125.6 | 160.6 | -46.2 | 0 | 0 | 0 | 0 | 118 | ||||
| 683 | F | 26.5 | Very low | 29.7 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 80% | 0.798 | 78% | 0.778 | S | S | * | * | trans | -96.5 | 128.1 | 169.1 | -161 | -96.5 | 0 | 0 | 0 | 110.9 | ||||
| 684 | L | 33.1 | Very low | 29.4 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 78% | 0.775 | 77% | 0.771 | S | S | * | * | trans | -137.5 | 135.8 | 172.3 | -179.6 | 67.4 | 0 | 0 | 0 | 108.9 | ||||
| 685 | D | 27.6 | Very low | 29.4 | Very low | 139 Ų | 139 | 146.4 Ų | 146.4 | 74% | 0.743 | 77% | 0.771 | S | S | * | * | trans | 46.5 | 85.1 | 169.5 | -86.7 | -63.5 | 0 | 0 | 0 | 119.5 | ||||
| 686 | Q | 27 | Very low | 30 | Very low | 156 Ų | 156 | 147.5 Ų | 147.5 | 73% | 0.729 | 77% | 0.77 | S | S | * | * | trans | -164.6 | 138.3 | 136.5 | -112.4 | 168.1 | 39.5 | 0 | 0 | 107.7 | ||||
| 687 | I | 30.1 | Very low | 31.5 | Very low | 145 Ų | 145 | 145 Ų | 145 | 74% | 0.744 | 76% | 0.764 | S | S | * | * | cis | -150.8 | 153.9 | 42.9 | -104.3 | 147.4 | 0 | 0 | 0 | 111.3 | ||||
| 688 | R | 30.1 | Very low | 31.5 | Very low | 221 Ų | 221 | 148 Ų | 148 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | trans | -82.6 | 154 | 165.7 | -82.1 | 175.9 | 165.3 | 173.5 | -6.7 | 110.7 | ||||
| 689 | Q | 29.9 | Very low | 31.8 | Very low | 173 Ų | 173 | 148.1 Ų | 148.1 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | 68.2 | 103.7 | 163.6 | -62.3 | 159.3 | -17.6 | 0 | 0 | 117.2 | ||||
| 690 | S | 25.4 | Very low | 31.9 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 87% | 0.867 | 77% | 0.771 | S | S | * | * | -159.6 | 128.3 | 118.9 | 0.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 691 | T | 29.5 | Very low | 31.7 | Very low | 129 Ų | 129 | 140.3 Ų | 140.3 | 79% | 0.791 | 76% | 0.761 | S | S | * | * | trans | -129.4 | 150.2 | 177.3 | -47.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 692 | E | 29 | Very low | 31.3 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 78% | 0.776 | 78% | 0.776 | S | S | * | * | trans | 71 | 155.3 | 179.2 | -35.9 | -169.6 | 145.7 | 0 | 0 | 113.9 | ||||
| 693 | Q | 30.1 | Very low | 31.5 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | cis | -142.4 | 157.1 | 21 | -78 | -177.5 | -5.4 | 0 | 0 | 114.6 | ||||
| 694 | H | 29.1 | Very low | 32.8 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | 62 | 103.6 | 147.9 | -84.7 | -109.2 | 0 | 0 | 0 | 123.6 | ||||
| 695 | S | 28.4 | Very low | 32.6 | Very low | 109 Ų | 109 | 138.3 Ų | 138.3 | 76% | 0.762 | 77% | 0.766 | S | S | * | * | 55 | 153.9 | 118.9 | -56.1 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 696 | P | 41.1 | Very low | 32.8 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | -121 | -156.4 | -171.6 | 47.1 | -33.4 | 0 | 0 | 0 | 112.9 | ||||
| 697 | P | 57.7 | Low | 33.1 | Very low | 108 Ų | 108 | 140.1 Ų | 140.1 | 70% | 0.701 | 77% | 0.774 | S | S | * | * | cis | -124 | -173.3 | -37.3 | 32.2 | -13.5 | 0 | 0 | 0 | 112.4 | ||||
| 698 | Q | 29.5 | Very low | 33.1 | Very low | 153 Ų | 153 | 137.6 Ų | 137.6 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | 164.1 | 148.3 | 122.9 | -90.7 | -166.5 | 8.6 | 0 | 0 | 115.4 | |||||
| 699 | Q | 32.3 | Very low | 33.3 | Very low | 160 Ų | 160 | 135.5 Ų | 135.5 | 75% | 0.748 | 77% | 0.774 | S | S | * | * | trans | 42.9 | 146.4 | 139.3 | -60.7 | -178 | 26 | 0 | 0 | 121.2 | ||||
| 700 | S | 31.6 | Very low | 33.5 | Very low | 114 Ų | 114 | 132.8 Ų | 132.8 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | cis | -172.1 | 170.2 | -6.2 | 53.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 701 | G | 27.2 | Very low | 34.2 | Very low | 65 Ų | 65 | 134.7 Ų | 134.7 | 67% | 0.67 | 78% | 0.775 | S | S | * | * | trans | 149.8 | 98.4 | 155.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 702 | L | 33.2 | Very low | 34.6 | Very low | 174 Ų | 174 | 133.3 Ų | 133.3 | 91% | 0.911 | 77% | 0.771 | S | S | * | * | trans | 67.7 | 169.7 | 141.1 | -54.1 | 179.9 | 0 | 0 | 0 | 121.5 | ||||
| 703 | V | 32.7 | Very low | 35.4 | Very low | 133 Ų | 133 | 134.8 Ų | 134.8 | 81% | 0.806 | 78% | 0.778 | S | S | * | * | trans | -158.6 | 172.8 | -162 | -101.7 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 704 | P | 53.4 | Low | 35.7 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 78% | 0.776 | S | S | * | * | cis | -136.4 | -166.7 | -24 | 36.9 | -17.4 | 0 | 0 | 0 | 113.6 | ||||
| 705 | A | 29.9 | Very low | 36.5 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 77% | 0.77 | S | S | * | * | trans | 82.3 | 117.6 | 146.4 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 706 | Y | 32.1 | Very low | 37.3 | Very low | 222 Ų | 222 | 129.8 Ų | 129.8 | 87% | 0.871 | 76% | 0.762 | S | S | * | * | 169.6 | 109.1 | 125.5 | -108.6 | -100.1 | 0 | 0 | 0 | 105.7 | |||||
| 707 | S | 32.7 | Very low | 37.3 | Very low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | 69.9 | 87.9 | 74.1 | -64.1 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 708 | A | 30.1 | Very low | 36.5 | Very low | 93 Ų | 93 | 126.2 Ų | 126.2 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -158.7 | 143.3 | 149.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 709 | E | 35.5 | Very low | 37.3 | Very low | 176 Ų | 176 | 124.2 Ų | 124.2 | 82% | 0.822 | 73% | 0.73 | S | S | * | * | trans | -70.5 | 148 | 177.1 | 55.9 | -95.1 | 51.4 | 0 | 0 | 113.8 | ||||
| 710 | S | 33.9 | Very low | 38 | Very low | 116 Ų | 116 | 123.2 Ų | 123.2 | 81% | 0.811 | 73% | 0.73 | S | S | * | * | trans | -159.6 | 108.4 | 149.5 | -79.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 711 | D | 38.8 | Very low | 38.7 | Very low | 165 Ų | 165 | 124.1 Ų | 124.1 | 88% | 0.882 | 72% | 0.722 | S | S | * | * | trans | -82.1 | 110 | 174.2 | -173.6 | 22.7 | 0 | 0 | 0 | 108.5 | ||||
| 712 | S | 38.8 | Very low | 39.8 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 71% | 0.712 | S | S | * | * | trans | -154.3 | 121.5 | 179.6 | 63.8 | 0 | 0 | 0 | 0 | 111.5 | D714 | S712-D714 PolarHBondContact O-N 2.85Š| ||
| 713 | E | 45.3 | Very low | 40.7 | Very low | 196 Ų | 196 | 121.7 Ų | 121.7 | 92% | 0.916 | 69% | 0.687 | S | S | * | * | trans | -80.7 | 103.5 | -167.4 | -54.5 | 171.7 | 137.9 | 0 | 0 | 112.6 | ||||
| 714 | D | 36 | Very low | 41.7 | Very low | 130 Ų | 130 | 117.5 Ų | 117.5 | 70% | 0.695 | 67% | 0.67 | S | S | * | * | trans | -139.5 | 74.7 | 165.5 | -163.9 | 163.1 | 0 | 0 | 0 | 112.7 | S712 G716 | S712-D714 PolarHBondContact O-N 2.85Å; D714-G716 PolarHBondContact O-N 3.32Å; D714-G716 WeakPolarHBondContact OD2-CA 3.47Å; D714-G716 PolarHBondContact OD2-N 3.02Å | ||
| 715 | E | 45.9 | Very low | 42.2 | Very low | 140 Ų | 140 | 120.8 Ų | 120.8 | 65% | 0.654 | 67% | 0.667 | S | S | * | * | trans | -83.6 | 27 | 166.8 | -103.8 | -71.6 | 139.5 | 0 | 0 | 112.3 | K719 | E715-K719 PolarHBondContact O-NZ 3.48Å; E715-K719 IonicContact OE2-NZ 2.75Å; E715-K719 PolarHBondContact OE2-NZ 3.03Å | ||
| 716 | G | 45.7 | Very low | 44.3 | Very low | 57 Ų | 57 | 118.1 Ų | 118.1 | 59% | 0.588 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -86.9 | -44.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | D714 | D714-G716 PolarHBondContact O-N 3.32Å; D714-G716 WeakPolarHBondContact OD2-CA 3.47Å; D714-G716 PolarHBondContact OD2-N 3.02Å |
| 717 | A | 40.5 | Very low | 46.7 | Very low | 75 Ų | 75 | 108 Ų | 108 | 62% | 0.62 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -90 | -33.3 | -163.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | K719 | A717-K719 PolarHBondContact O-N 3.49Š|
| 718 | D | 41.3 | Very low | 49.2 | Very low | 75 Ų | 75 | 104.3 Ų | 104.3 | 40% | 0.401 | 57% | 0.574 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.6 | 24.5 | -165.3 | -167.2 | 19 | 0 | 0 | 0 | 114.8 | K722 | D718-K722 VanDerWaalsContact CG-NZ 3.27Å; D718-K722 WeakPolarHBondContact O-CD 3.25Å; D718-K722 WeakPolarHBondContact OD1-CE 3.43Å; D718-K722 IonicContact OD1-NZ 2.59Å; D718-K722 WeakPolarHBondContact OD2-CE 3.34Å; D718-K722 IonicContact OD2-NZ 2.72Å; D718-K722 PolarHBondContact OD2-NZ 3.01Å |
| 719 | K | 46.5 | Very low | 51.6 | Low | 111 Ų | 111 | 105 Ų | 105 | 48% | 0.483 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.9 | -45.2 | 176.1 | -72.7 | 177.6 | -179.4 | 63.4 | 0 | 112.2 | E715 A717 E721 K722 E723 | E715-K719 PolarHBondContact O-NZ 3.48Å; E715-K719 IonicContact OE2-NZ 2.75Å; E715-K719 PolarHBondContact OE2-NZ 3.03Å; A717-K719 PolarHBondContact O-N 3.49Å; K719-E721 PolarHBondContact O-N 3.47Å; K719-K722 PolarHBondContact O-N 2.95Å; K719-E723 PolarHBondContact O-N 3.45Å; K719-E723 VanDerWaalsContact O-N 3.14Å |
| 720 | D | 45.8 | Very low | 53.9 | Low | 138 Ų | 138 | 103.1 Ų | 103.1 | 74% | 0.738 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -65.1 | -37.3 | -178.5 | -82.1 | -59.3 | 0 | 0 | 0 | 113 | K722 E723 G724 | D720-K722 VanDerWaalsContact C-N 3.29Å; D720-K722 PolarHBondContact O-N 3.2Å; D720-E723 PolarHBondContact O-N 3.07Å; D720-G724 PolarHBondContact O-N 2.91Å |
| 721 | E | 46.7 | Very low | 56.2 | Low | 134 Ų | 134 | 103.6 Ų | 103.6 | 63% | 0.626 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.9 | -27.7 | 177 | -70.2 | -139.7 | 165.3 | 0 | 0 | 113.7 | K719 R725 | K719-E721 PolarHBondContact O-N 3.47Å; E721-R725 IonicContact OE2-NH2 3.78Å |
| 722 | K | 51.1 | Low | 58.5 | Low | 108 Ų | 108 | 97.9 Ų | 97.9 | 47% | 0.47 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -83.3 | -33.2 | 178.4 | -72 | 175 | -170.6 | 154.5 | 0 | 112.1 | D718 K719 D720 | D718-K722 VanDerWaalsContact CG-NZ 3.27Å; D718-K722 WeakPolarHBondContact O-CD 3.25Å; D718-K722 WeakPolarHBondContact OD1-CE 3.43Å; D718-K722 IonicContact OD1-NZ 2.59Å; D718-K722 WeakPolarHBondContact OD2-CE 3.34Å; D718-K722 IonicContact OD2-NZ 2.72Å; D718-K722 PolarHBondContact OD2-NZ 3.01Å; K719-K722 PolarHBondContact O-N 2.95Å; D720-K722 VanDerWaalsContact C-N 3.29Å; D720-K722 PolarHBondContact O-N 3.2Å |
| 723 | E | 52.8 | Low | 60.9 | Low | 80 Ų | 80 | 93.7 Ų | 93.7 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -77.6 | -38.2 | 173.6 | -65.6 | -157.4 | 179.3 | 0 | 0 | 112.6 | K719 D720 R725 L726 | K719-E723 PolarHBondContact O-N 3.45Å; K719-E723 VanDerWaalsContact O-N 3.14Å; D720-E723 PolarHBondContact O-N 3.07Å; E723-R725 PolarHBondContact O-N 3.35Å; E723-L726 WeakPolarHBondContact O-CB 3.36Å; E723-L726 PolarHBondContact O-N 3.02Å |
| 724 | G | 53.2 | Low | 63 | Low | 44 Ų | 44 | 84.4 Ų | 84.4 | 45% | 0.454 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -27.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | D720 L726 | D720-G724 PolarHBondContact O-N 2.91Å; G724-L726 PolarHBondContact O-N 3.48Å |
| 725 | R | 63.1 | Low | 65.3 | Low | 184 Ų | 184 | 82.4 Ų | 82.4 | 69% | 0.694 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | 0.8 | 175.7 | -150.1 | 176.3 | -56.5 | -125.4 | -0.4 | 113.9 | E721 E723 | E721-R725 IonicContact OE2-NH2 3.78Å; E723-R725 PolarHBondContact O-N 3.35Å |
| 726 | L | 74.7 | Confident | 67.2 | Low | 27 Ų | 27 | 76.9 Ų | 76.9 | 14% | 0.141 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.6 | -7.8 | -167.1 | -151.5 | 47.1 | 0 | 0 | 0 | 113.6 | E723 G724 L735 L736 R764 | E723-L726 WeakPolarHBondContact O-CB 3.36Å; E723-L726 PolarHBondContact O-N 3.02Å; G724-L726 PolarHBondContact O-N 3.48Å; L726-L735 HydrophobicContact CD1-CB 4.41Å; L726-L735 WeakPolarHBondContact O-CB 3.39Å; L726-L735 PolarHBondContact O-N 3.22Å; L726-L736 HydrophobicContact CD1-CG 3.9Å; L726-L736 HydrophobicContact CD2-CD1 3.44Å; L726-L736 VanDerWaalsContact CD2-CD1 3.44Å; L726-L736 HydrophobicContact CD2-CD2 4.38Å; L726-L736 HydrophobicContact CD2-CG 3.62Å; L726-L736 HydrophobicContact CG-CB 4.46Å; L726-L736 HydrophobicContact CG-CD1 3.86Å; L726-L736 HydrophobicContact CG-CG 3.66Å; L726-R764 VanDerWaalsContact CD1-NH1 3.33Å |
| 727 | T | 81.4 | Confident | 69.1 | Low | 9 Ų | 9 | 74.9 Ų | 74.9 | 6% | 0.055 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.1 | 171.2 | 43.5 | 0 | 0 | 0 | 0 | 110 | W729 A733 L747 | T727-W729 VanDerWaalsContact O-CD1 3.28Å; T727-W729 PolarHBondContact O-N 2.78Å; T727-W729 VanDerWaalsContact O-N 3.14Å; T727-W729 PolarHBondContact OG1-NE1 3.45Å; T727-A733 CarbonylContact C-O 3.53Å; T727-L747 HydrophobicContact CG2-CD1 4.45Å |
| 728 | D | 85.4 | Confident | 71.2 | Confident | 32 Ų | 32 | 82.6 Ų | 82.6 | 17% | 0.171 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 94.6 | 173.2 | -175.2 | -26.1 | 0 | 0 | 0 | 108.5 | V730 K731 L732 A733 L735 | D728-V730 PolarHBondContact O-N 2.97Å; D728-V730 PolarHBondContact OD1-N 3.29Å; D728-K731 HydrophobicContact CB-CB 4.37Å; D728-K731 PolarHBondContact O-N 2.71Å; D728-K731 PolarHBondContact OD1-N 2.95Å; D728-K731 VanDerWaalsContact OD2-CD 3.3Å; D728-K731 WeakPolarHBondContact OD2-CD 3.44Å; D728-K731 WeakPolarHBondContact OD2-CG 3.4Å; D728-K731 IonicContact OD2-NZ 3.92Å; D728-K731 PolarHBondContact OD2-NZ 2.82Å; D728-L732 CarbonylContact O-C 3.56Å; D728-L732 VanDerWaalsContact O-CA 3.26Å; D728-L732 WeakPolarHBondContact O-CA 3.38Å; D728-L732 PolarHBondContact O-N 2.85Å; D728-A733 HydrophobicContact CB-CB 4.39Å; D728-A733 PolarHBondContact N-O 3.45Å; D728-A733 PolarHBondContact O-N 2.57Å; D728-L735 HydrophobicContact CB-CD2 4.26Å; D728-L735 HydrophobicContact CB-CG 4.47Å |
| 729 | W | 80.9 | Confident | 73.3 | Confident | 108 Ų | 108 | 85.1 Ų | 85.1 | 41% | 0.409 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -19.2 | -179.9 | -63.3 | 97.9 | 0 | 0 | 0 | 113.8 | T727 K744 L747 I748 | T727-W729 VanDerWaalsContact O-CD1 3.28Å; T727-W729 PolarHBondContact O-N 2.78Å; T727-W729 VanDerWaalsContact O-N 3.14Å; T727-W729 PolarHBondContact OG1-NE1 3.45Å; W729-K744 HydrophobicContact CE3-CD 4.31Å; W729-K744 HydrophobicContact CE3-CG 4.1Å; W729-K744 HydrophobicContact CZ3-CD 4.2Å; W729-K744 VanDerWaalsContact CZ3-CE 3.46Å; W729-K744 HydrophobicContact CZ3-CG 3.78Å; W729-L747 HydrophobicContact CE3-CD2 4.06Å; W729-L747 HydrophobicContact CZ3-CD2 4.11Å; W729-I748 HydrophobicContact CH2-CD1 4.35Å; W729-I748 HydrophobicContact CH2-CG1 3.97Å; W729-I748 HydrophobicContact CZ3-CD1 4.23Å; W729-I748 HydrophobicContact CZ3-CG1 4.04Å |
| 730 | V | 84.5 | Confident | 75.3 | Confident | 137 Ų | 137 | 86.8 Ų | 86.8 | 83% | 0.83 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -42.3 | 178.2 | -178.3 | 0 | 0 | 0 | 0 | 110.3 | D728 | D728-V730 PolarHBondContact O-N 2.97Å; D728-V730 PolarHBondContact OD1-N 3.29Å |
| 731 | K | 82.7 | Confident | 77.3 | Confident | 125 Ų | 125 | 82 Ų | 82 | 54% | 0.543 | 38% | 0.382 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -4.1 | 174.1 | -59.2 | -174 | -163.1 | 67.2 | 0 | 113.4 | D728 A733 Q740 | D728-K731 HydrophobicContact CB-CB 4.37Å; D728-K731 PolarHBondContact O-N 2.71Å; D728-K731 PolarHBondContact OD1-N 2.95Å; D728-K731 VanDerWaalsContact OD2-CD 3.3Å; D728-K731 WeakPolarHBondContact OD2-CD 3.44Å; D728-K731 WeakPolarHBondContact OD2-CG 3.4Å; D728-K731 IonicContact OD2-NZ 3.92Å; D728-K731 PolarHBondContact OD2-NZ 2.82Å; K731-A733 VanDerWaalsContact C-N 3.3Å; K731-A733 HydrophobicContact CB-CB 4.24Å; K731-A733 PolarHBondContact O-N 2.99Å; K731-Q740 WeakPolarHBondContact O-CG 3.03Å; K731-Q740 PolarHBondContact O-NE2 3.29Å |
| 732 | L | 87.1 | Confident | 79.1 | Confident | 45 Ų | 45 | 81.1 Ų | 81.1 | 24% | 0.236 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 44.5 | -170.9 | -60.5 | 174.9 | 0 | 0 | 0 | 112.6 | D728 F741 K744 | D728-L732 CarbonylContact O-C 3.56Å; D728-L732 VanDerWaalsContact O-CA 3.26Å; D728-L732 WeakPolarHBondContact O-CA 3.38Å; D728-L732 PolarHBondContact O-N 2.85Å; L732-F741 VanDerWaalsContact CB-O 3.32Å; L732-F741 WeakPolarHBondContact CB-O 3.45Å; L732-F741 PolarHBondContact O-N 3.32Å; L732-K744 HydrophobicContact CD2-CB 4.16Å |
| 733 | A | 87.3 | Confident | 81 | Confident | 13 Ų | 13 | 77.4 Ų | 77.4 | 11% | 0.107 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 138.4 | -172.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | T727 D728 K731 R739 Q740 | T727-A733 CarbonylContact C-O 3.53Å; D728-A733 HydrophobicContact CB-CB 4.39Å; D728-A733 PolarHBondContact N-O 3.45Å; D728-A733 PolarHBondContact O-N 2.57Å; K731-A733 VanDerWaalsContact C-N 3.3Å; K731-A733 HydrophobicContact CB-CB 4.24Å; K731-A733 PolarHBondContact O-N 2.99Å; A733-R739 CarbonylContact C-O 3.53Å; A733-R739 VanDerWaalsContact CA-O 3.26Å; A733-R739 WeakPolarHBondContact CA-O 3.36Å; A733-Q740 HydrophobicContact CB-CB 4.29Å |
| 734 | C | 90.4 | Very high | 82.7 | Confident | 1 Ų | 1 | 79.3 Ų | 79.3 | 1% | 0.007 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.6 | 171.4 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | C737 R738 R739 F741 L747 H757 | C734-C737 HydrophobicContact CB-CB 4.22Å; C734-C737 PolarHBondContact O-N 3.19Å; C734-R738 WeakPolarHBondContact O-CA 3.3Å; C734-R738 PolarHBondContact O-N 2.66Å; C734-R739 PolarHBondContact N-O 3.11Å; C734-R739 PolarHBondContact O-N 2.58Å; C734-F741 HydrophobicContact CB-CE2 4.22Å; C734-L747 HydrophobicContact CB-CD1 3.85Å; C734-H757 PolarHBondContact SG-CE1 3.47Å; C734-H757 PolarHBondContact SG-ND1 3.42Å |
| 735 | L | 84.9 | Confident | 84.4 | Confident | 87 Ų | 87 | 83 Ų | 83 | 46% | 0.455 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -29.9 | -175.5 | -56.9 | 178.9 | 0 | 0 | 0 | 112.2 | L726 D728 C737 R738 | L726-L735 HydrophobicContact CD1-CB 4.41Å; L726-L735 WeakPolarHBondContact O-CB 3.39Å; L726-L735 PolarHBondContact O-N 3.22Å; D728-L735 HydrophobicContact CB-CD2 4.26Å; D728-L735 HydrophobicContact CB-CG 4.47Å; L735-C737 VanDerWaalsContact C-N 3.29Å; L735-C737 PolarHBondContact O-N 2.86Å; L735-R738 PolarHBondContact O-N 2.89Å |
| 736 | L | 85.5 | Confident | 85.6 | Confident | 24 Ų | 24 | 75 Ų | 75 | 13% | 0.126 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.5 | -39.8 | 168.9 | -95.2 | 169.4 | 0 | 0 | 0 | 112.9 | L726 N760 L761 R764 | L726-L736 HydrophobicContact CD1-CG 3.9Å; L726-L736 HydrophobicContact CD2-CD1 3.44Å; L726-L736 VanDerWaalsContact CD2-CD1 3.44Å; L726-L736 HydrophobicContact CD2-CD2 4.38Å; L726-L736 HydrophobicContact CD2-CG 3.62Å; L726-L736 HydrophobicContact CG-CB 4.46Å; L726-L736 HydrophobicContact CG-CD1 3.86Å; L726-L736 HydrophobicContact CG-CG 3.66Å; L736-N760 HydrophobicContact CD2-CB 3.94Å; L736-N760 WeakPolarHBondContact CD2-O 3.37Å; L736-N760 PolarHBondContact O-ND2 3.44Å; L736-L761 HydrophobicContact CD1-CB 3.8Å; L736-L761 HydrophobicContact CD1-CD1 4.03Å; L736-L761 HydrophobicContact CD1-CG 3.92Å; L736-R764 HydrophobicContact CD2-CB 4.4Å |
| 737 | C | 84.4 | Confident | 86.4 | Confident | 15 Ų | 15 | 73.7 Ų | 73.7 | 10% | 0.101 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -7.8 | -175.1 | -67.8 | 0 | 0 | 0 | 0 | 113.5 | C734 L735 R739 H750 H757 | C734-C737 HydrophobicContact CB-CB 4.22Å; C734-C737 PolarHBondContact O-N 3.19Å; L735-C737 VanDerWaalsContact C-N 3.29Å; L735-C737 PolarHBondContact O-N 2.86Å; C737-R739 HydrophobicContact CB-CB 4.35Å; C737-R739 HydrophobicContact CB-CG 4.33Å; C737-R739 WeakPolarHBondContact O-CG 3.48Å; C737-R739 PolarHBondContact O-N 2.86Å; C737-H750 VanDerWaalsContact CB-NE2 3.35Å; C737-H750 WeakPolarHBondContact CB-NE2 3.38Å; C737-H750 PolarHBondContact SG-NE2 3.3Å; C737-H757 WeakPolarHBondContact SG-CA 3.19Å |
| 738 | R | 85.6 | Confident | 86.7 | Confident | 238 Ų | 238 | 75.8 Ų | 75.8 | 90% | 0.898 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49 | 41.8 | -171.2 | -59.2 | -178.1 | 178.4 | 177.2 | -0.3 | 112.8 | C734 L735 | C734-R738 WeakPolarHBondContact O-CA 3.3Å; C734-R738 PolarHBondContact O-N 2.66Å; L735-R738 PolarHBondContact O-N 2.89Å |
| 739 | R | 84.8 | Confident | 86.9 | Confident | 128 Ų | 128 | 80.9 Ų | 80.9 | 48% | 0.483 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 132.7 | -177.1 | -74.8 | 172.6 | -169.9 | -146.9 | -1.4 | 111.4 | A733 C734 C737 F741 L756 | A733-R739 CarbonylContact C-O 3.53Å; A733-R739 VanDerWaalsContact CA-O 3.26Å; A733-R739 WeakPolarHBondContact CA-O 3.36Å; C734-R739 PolarHBondContact N-O 3.11Å; C734-R739 PolarHBondContact O-N 2.58Å; C737-R739 HydrophobicContact CB-CB 4.35Å; C737-R739 HydrophobicContact CB-CG 4.33Å; C737-R739 WeakPolarHBondContact O-CG 3.48Å; C737-R739 PolarHBondContact O-N 2.86Å; R739-F741 HydrophobicContact CB-CE2 3.57Å; R739-F741 HydrophobicContact CB-CZ 3.74Å; R739-F741 WeakPolarHBondContact O-CD2 3.15Å; R739-F741 VanDerWaalsContact O-CE2 3.31Å; R739-F741 WeakPolarHBondContact O-CE2 3.43Å; R739-L756 VanDerWaalsContact NH2-CD2 3.32Å |
| 740 | Q | 88.3 | Confident | 87.3 | Confident | 145 Ų | 145 | 76.4 Ų | 76.4 | 68% | 0.678 | 37% | 0.365 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 145.4 | 172.3 | -175.4 | 167.7 | 40.6 | 0 | 0 | 110.7 | K731 A733 | K731-Q740 WeakPolarHBondContact O-CG 3.03Å; K731-Q740 PolarHBondContact O-NE2 3.29Å; A733-Q740 HydrophobicContact CB-CB 4.29Å |
| 741 | F | 88.9 | Confident | 87.5 | Confident | 37 Ų | 37 | 72.6 Ų | 72.6 | 16% | 0.162 | 34% | 0.338 | C | S | . | . | trans | -125.4 | 144.7 | -176.1 | -66.9 | -87.7 | 0 | 0 | 0 | 112.1 | L732 C734 R739 S743 A746 L747 H750 | L732-F741 VanDerWaalsContact CB-O 3.32Å; L732-F741 WeakPolarHBondContact CB-O 3.45Å; L732-F741 PolarHBondContact O-N 3.32Å; C734-F741 HydrophobicContact CB-CE2 4.22Å; R739-F741 HydrophobicContact CB-CE2 3.57Å; R739-F741 HydrophobicContact CB-CZ 3.74Å; R739-F741 WeakPolarHBondContact O-CD2 3.15Å; R739-F741 VanDerWaalsContact O-CE2 3.31Å; R739-F741 WeakPolarHBondContact O-CE2 3.43Å; F741-S743 VanDerWaalsContact C-N 3.26Å; F741-S743 PolarHBondContact O-N 3.39Å; F741-A746 HydrophobicContact CB-CB 4.12Å; F741-A746 HydrophobicContact CD1-CB 4.28Å; F741-L747 HydrophobicContact CB-CB 4.14Å; F741-L747 HydrophobicContact CD2-CB 4.34Å; F741-L747 HydrophobicContact CD2-CD1 3.67Å; F741-L747 HydrophobicContact CE2-CD1 4.15Å; F741-L747 HydrophobicContact CG-CB 4.35Å; F741-L747 HydrophobicContact CG-CD1 4.49Å; F741-H750 HydrophobicContact CD1-CB 4.31Å; F741-H750 HydrophobicContact CE1-CB 3.64Å; F741-H750 AromaticContact CE1-CG 3.75Å; F741-H750 HydrophobicContact CE2-CB 4.12Å; F741-H750 AromaticContact CE2-CD2 3.27Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.34Å; F741-H750 AromaticContact CE2-CG 3.74Å; F741-H750 AromaticContact CE2-NE2 3.85Å; F741-H750 HydrophobicContact CZ-CB 3.55Å; F741-H750 AromaticContact CZ-CD2 3.16Å; F741-H750 WeakPolarHBondContact CZ-CD2 3.35Å; F741-H750 AromaticContact CZ-CE1 3.94Å; F741-H750 AromaticContact CZ-CG 3.16Å; F741-H750 AromaticContact CZ-ND1 3.67Å; F741-H750 AromaticContact CZ-NE2 3.65Å | ||
| 742 | P | 85.3 | Confident | 87.6 | Confident | 116 Ų | 116 | 73.2 Ų | 73.2 | 75% | 0.753 | 34% | 0.343 | S | S | * | . | S | Bend | trans | -80.6 | 1.3 | -174.4 | 33.7 | -37.9 | 0 | 0 | 0 | 114.5 | ||
| 743 | S | 89.6 | Confident | 87.4 | Confident | 31 Ų | 31 | 77.4 Ų | 77.4 | 22% | 0.217 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -160.3 | 160.9 | 173.5 | 83.3 | 0 | 0 | 0 | 0 | 112.1 | F741 E745 A746 L747 | F741-S743 VanDerWaalsContact C-N 3.26Å; F741-S743 PolarHBondContact O-N 3.39Å; S743-E745 VanDerWaalsContact C-N 3.35Å; S743-E745 WeakPolarHBondContact CB-OE2 3.46Å; S743-E745 PolarHBondContact O-N 3.39Å; S743-E745 PolarHBondContact OG-OE2 2.86Å; S743-A746 WeakPolarHBondContact O-CB 3.32Å; S743-A746 PolarHBondContact O-N 2.84Å; S743-A746 WeakPolarHBondContact OG-CB 3.36Å; S743-A746 PolarHBondContact OG-N 2.93Å; S743-A746 VanDerWaalsContact OG-N 3.15Å; S743-L747 PolarHBondContact O-N 2.62Å; S743-L747 VanDerWaalsContact O-N 3.09Å |
| 744 | K | 88.5 | Confident | 87.5 | Confident | 120 Ų | 120 | 78.2 Ų | 78.2 | 52% | 0.522 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -63.3 | -38.4 | 178.4 | -168.7 | 175.4 | 177.9 | 176.3 | 0 | 112 | W729 L732 A746 L747 I748 | W729-K744 HydrophobicContact CE3-CD 4.31Å; W729-K744 HydrophobicContact CE3-CG 4.1Å; W729-K744 HydrophobicContact CZ3-CD 4.2Å; W729-K744 VanDerWaalsContact CZ3-CE 3.46Å; W729-K744 HydrophobicContact CZ3-CG 3.78Å; L732-K744 HydrophobicContact CD2-CB 4.16Å; K744-A746 VanDerWaalsContact C-N 3.31Å; K744-A746 PolarHBondContact O-N 3.22Å; K744-L747 PolarHBondContact O-N 2.58Å; K744-I748 HydrophobicContact CG-CD1 3.98Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.16Å; K744-I748 PolarHBondContact O-N 3.42Å |
| 745 | E | 88.4 | Confident | 87.4 | Confident | 122 Ų | 122 | 83.5 Ų | 83.5 | 57% | 0.57 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -74.1 | -21.2 | 176.8 | -33.2 | 80.9 | 171.9 | 0 | 0 | 112.4 | S743 R749 | S743-E745 VanDerWaalsContact C-N 3.35Å; S743-E745 WeakPolarHBondContact CB-OE2 3.46Å; S743-E745 PolarHBondContact O-N 3.39Å; S743-E745 PolarHBondContact OG-OE2 2.86Å; E745-R749 WeakPolarHBondContact O-CB 3.38Å; E745-R749 VanDerWaalsContact O-CG 3.27Å; E745-R749 WeakPolarHBondContact O-CG 3.31Å; E745-R749 PolarHBondContact O-N 3.45Å; E745-R749 VanDerWaalsContact O-N 3.16Å; E745-R749 PolarHBondContact O-NE 3.24Å |
| 746 | A | 88.6 | Confident | 87.4 | Confident | 15 Ų | 15 | 82.2 Ų | 82.2 | 12% | 0.124 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74.3 | -42.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | F741 S743 K744 H750 | F741-A746 HydrophobicContact CB-CB 4.12Å; F741-A746 HydrophobicContact CD1-CB 4.28Å; S743-A746 WeakPolarHBondContact O-CB 3.32Å; S743-A746 PolarHBondContact O-N 2.84Å; S743-A746 WeakPolarHBondContact OG-CB 3.36Å; S743-A746 PolarHBondContact OG-N 2.93Å; S743-A746 VanDerWaalsContact OG-N 3.15Å; K744-A746 VanDerWaalsContact C-N 3.31Å; K744-A746 PolarHBondContact O-N 3.22Å; A746-H750 WeakPolarHBondContact O-CB 3.27Å; A746-H750 PolarHBondContact O-N 3.23Å |
| 747 | L | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.7 | -48.1 | 172.8 | 178.5 | 64.1 | 0 | 0 | 0 | 111.7 | T727 W729 C734 F741 S743 K744 R749 H750 Q751 | T727-L747 HydrophobicContact CG2-CD1 4.45Å; W729-L747 HydrophobicContact CE3-CD2 4.06Å; W729-L747 HydrophobicContact CZ3-CD2 4.11Å; C734-L747 HydrophobicContact CB-CD1 3.85Å; F741-L747 HydrophobicContact CB-CB 4.14Å; F741-L747 HydrophobicContact CD2-CB 4.34Å; F741-L747 HydrophobicContact CD2-CD1 3.67Å; F741-L747 HydrophobicContact CE2-CD1 4.15Å; F741-L747 HydrophobicContact CG-CB 4.35Å; F741-L747 HydrophobicContact CG-CD1 4.49Å; S743-L747 PolarHBondContact O-N 2.62Å; S743-L747 VanDerWaalsContact O-N 3.09Å; K744-L747 PolarHBondContact O-N 2.58Å; L747-R749 PolarHBondContact O-N 3.48Å; L747-H750 WeakPolarHBondContact O-CB 3.34Å; L747-H750 PolarHBondContact O-N 3.25Å; L747-H750 VanDerWaalsContact O-N 3.16Å; L747-Q751 PolarHBondContact O-N 3.08Å |
| 748 | I | 88.9 | Confident | 87.6 | Confident | 53 Ų | 53 | 85.9 Ų | 85.9 | 27% | 0.272 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -62 | -45.2 | 179.5 | -69 | 165.3 | 0 | 0 | 0 | 111.3 | W729 K744 H750 Q751 Q752 | W729-I748 HydrophobicContact CH2-CD1 4.35Å; W729-I748 HydrophobicContact CH2-CG1 3.97Å; W729-I748 HydrophobicContact CZ3-CD1 4.23Å; W729-I748 HydrophobicContact CZ3-CG1 4.04Å; K744-I748 HydrophobicContact CG-CD1 3.98Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.16Å; K744-I748 PolarHBondContact O-N 3.42Å; I748-H750 VanDerWaalsContact C-N 3.3Å; I748-H750 PolarHBondContact O-N 3.43Å; I748-Q751 PolarHBondContact O-N 3.25Å; I748-Q752 HydrophobicContact CG2-CG 4.45Å; I748-Q752 WeakPolarHBondContact O-CB 3.47Å; I748-Q752 WeakPolarHBondContact O-CG 3.48Å; I748-Q752 PolarHBondContact O-N 2.78Å |
| 749 | R | 88.9 | Confident | 87.6 | Confident | 138 Ų | 138 | 79.7 Ų | 79.7 | 52% | 0.521 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.2 | -33.3 | 175.2 | -76.3 | 178.4 | -64.1 | 141.3 | -1 | 112.7 | E745 L747 Q752 L753 | E745-R749 WeakPolarHBondContact O-CB 3.38Å; E745-R749 VanDerWaalsContact O-CG 3.27Å; E745-R749 WeakPolarHBondContact O-CG 3.31Å; E745-R749 PolarHBondContact O-N 3.45Å; E745-R749 VanDerWaalsContact O-N 3.16Å; E745-R749 PolarHBondContact O-NE 3.24Å; L747-R749 PolarHBondContact O-N 3.48Å; R749-Q752 PolarHBondContact O-N 2.82Å; R749-L753 HydrophobicContact CB-CD1 4.38Å; R749-L753 HydrophobicContact CG-CD1 4.48Å; R749-L753 VanDerWaalsContact O-CB 3.24Å; R749-L753 WeakPolarHBondContact O-CB 3.23Å; R749-L753 PolarHBondContact O-N 3.49Å |
| 750 | H | 90.4 | Very high | 87.7 | Confident | 15 Ų | 15 | 75.6 Ų | 75.6 | 7% | 0.069 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -66.3 | -43.9 | 173.5 | 169.6 | 62.8 | 0 | 0 | 0 | 111.9 | C737 F741 A746 L747 I748 Q752 S754 | C737-H750 VanDerWaalsContact CB-NE2 3.35Å; C737-H750 WeakPolarHBondContact CB-NE2 3.38Å; C737-H750 PolarHBondContact SG-NE2 3.3Å; F741-H750 HydrophobicContact CD1-CB 4.31Å; F741-H750 HydrophobicContact CE1-CB 3.64Å; F741-H750 AromaticContact CE1-CG 3.75Å; F741-H750 HydrophobicContact CE2-CB 4.12Å; F741-H750 AromaticContact CE2-CD2 3.27Å; F741-H750 WeakPolarHBondContact CE2-CD2 3.34Å; F741-H750 AromaticContact CE2-CG 3.74Å; F741-H750 AromaticContact CE2-NE2 3.85Å; F741-H750 HydrophobicContact CZ-CB 3.55Å; F741-H750 AromaticContact CZ-CD2 3.16Å; F741-H750 WeakPolarHBondContact CZ-CD2 3.35Å; F741-H750 AromaticContact CZ-CE1 3.94Å; F741-H750 AromaticContact CZ-CG 3.16Å; F741-H750 AromaticContact CZ-ND1 3.67Å; F741-H750 AromaticContact CZ-NE2 3.65Å; A746-H750 WeakPolarHBondContact O-CB 3.27Å; A746-H750 PolarHBondContact O-N 3.23Å; L747-H750 WeakPolarHBondContact O-CB 3.34Å; L747-H750 PolarHBondContact O-N 3.25Å; L747-H750 VanDerWaalsContact O-N 3.16Å; I748-H750 VanDerWaalsContact C-N 3.3Å; I748-H750 PolarHBondContact O-N 3.43Å; H750-Q752 VanDerWaalsContact C-N 3.31Å; H750-Q752 PolarHBondContact O-N 2.83Å; H750-S754 PolarHBondContact CE1-OG 2.89Å; H750-S754 WeakPolarHBondContact ND1-CB 3.43Å; H750-S754 PolarHBondContact ND1-OG 3.08Å; H750-S754 WeakPolarHBondContact O-CB 3.28Å; H750-S754 PolarHBondContact O-N 2.85Å; H750-S754 VanDerWaalsContact O-N 3.12Å |
| 751 | Q | 88.6 | Confident | 87.6 | Confident | 56 Ų | 56 | 70.3 Ų | 70.3 | 26% | 0.262 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -60.4 | -39.9 | 174.8 | -178.2 | 166.3 | 16.5 | 0 | 0 | 112 | L747 I748 H757 | L747-Q751 PolarHBondContact O-N 3.08Å; I748-Q751 PolarHBondContact O-N 3.25Å; Q751-H757 PolarHBondContact O-CD2 2.77Å; Q751-H757 VanDerWaalsContact O-CD2 3.31Å |
| 752 | Q | 85 | Confident | 87.4 | Confident | 139 Ų | 139 | 74 Ų | 74 | 65% | 0.65 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -83.1 | -29.3 | -176.8 | -70.1 | 174.1 | -14 | 0 | 0 | 115.3 | I748 R749 H750 | I748-Q752 HydrophobicContact CG2-CG 4.45Å; I748-Q752 WeakPolarHBondContact O-CB 3.47Å; I748-Q752 WeakPolarHBondContact O-CG 3.48Å; I748-Q752 PolarHBondContact O-N 2.78Å; R749-Q752 PolarHBondContact O-N 2.82Å; H750-Q752 VanDerWaalsContact C-N 3.31Å; H750-Q752 PolarHBondContact O-N 2.83Å |
| 753 | L | 81.2 | Confident | 87.4 | Confident | 133 Ų | 133 | 73.7 Ų | 73.7 | 70% | 0.696 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -126.2 | 1.9 | -165.8 | -54.8 | 173.6 | 0 | 0 | 0 | 114.7 | R749 | R749-L753 HydrophobicContact CB-CD1 4.38Å; R749-L753 HydrophobicContact CG-CD1 4.48Å; R749-L753 VanDerWaalsContact O-CB 3.24Å; R749-L753 WeakPolarHBondContact O-CB 3.23Å; R749-L753 PolarHBondContact O-N 3.49Å |
| 754 | S | 90.8 | Very high | 86.9 | Confident | 30 Ų | 30 | 77.7 Ų | 77.7 | 21% | 0.21 | 36% | 0.363 | C | S | . | . | trans | -98.5 | 111.7 | -178.3 | -160.6 | 0 | 0 | 0 | 0 | 111.6 | H750 L756 H757 K758 | H750-S754 PolarHBondContact CE1-OG 2.89Å; H750-S754 WeakPolarHBondContact ND1-CB 3.43Å; H750-S754 PolarHBondContact ND1-OG 3.08Å; H750-S754 WeakPolarHBondContact O-CB 3.28Å; H750-S754 PolarHBondContact O-N 2.85Å; H750-S754 VanDerWaalsContact O-N 3.12Å; S754-L756 PolarHBondContact O-N 2.72Å; S754-H757 WeakPolarHBondContact O-CA 3.33Å; S754-H757 VanDerWaalsContact O-CB 3.31Å; S754-H757 WeakPolarHBondContact O-CB 3.34Å; S754-H757 PolarHBondContact O-N 3.37Å; S754-K758 PolarHBondContact O-N 3.18Å; S754-K758 VanDerWaalsContact O-N 3.09Å | ||
| 755 | E | 87.3 | Confident | 86.6 | Confident | 111 Ų | 111 | 78 Ų | 78 | 52% | 0.519 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -56.6 | -32.1 | 175.8 | -67.8 | -59.1 | 135.9 | 0 | 0 | 112.6 | H757 K758 Q759 | E755-H757 VanDerWaalsContact C-N 3.33Å; E755-H757 PolarHBondContact O-N 3.21Å; E755-K758 PolarHBondContact O-N 2.94Å; E755-K758 IonicContact OE1-NZ 3.39Å; E755-K758 IonicContact OE2-NZ 3.72Å; E755-K758 PolarHBondContact OE2-NZ 3.27Å; E755-Q759 WeakPolarHBondContact O-CB 3.42Å; E755-Q759 VanDerWaalsContact O-CG 3.25Å; E755-Q759 WeakPolarHBondContact O-CG 3.47Å; E755-Q759 PolarHBondContact O-N 2.96Å |
| 756 | L | 85.3 | Confident | 86.1 | Confident | 61 Ų | 61 | 76.3 Ų | 76.3 | 32% | 0.319 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.9 | -36.8 | 172.7 | -177 | 67.3 | 0 | 0 | 0 | 112.6 | R739 S754 N760 | R739-L756 VanDerWaalsContact NH2-CD2 3.32Å; S754-L756 PolarHBondContact O-N 2.72Å; L756-N760 WeakPolarHBondContact O-CB 3.34Å; L756-N760 VanDerWaalsContact O-CG 3.26Å; L756-N760 PolarHBondContact O-N 2.84Å; L756-N760 PolarHBondContact O-OD1 3.37Å |
| 757 | H | 85.6 | Confident | 85.2 | Confident | 7 Ų | 7 | 82.9 Ų | 82.9 | 3% | 0.032 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.3 | -48.4 | 175.3 | -178 | 80.1 | 0 | 0 | 0 | 110.6 | C734 C737 Q751 S754 E755 N760 L761 | C734-H757 PolarHBondContact SG-CE1 3.47Å; C734-H757 PolarHBondContact SG-ND1 3.42Å; C737-H757 WeakPolarHBondContact SG-CA 3.19Å; Q751-H757 PolarHBondContact O-CD2 2.77Å; Q751-H757 VanDerWaalsContact O-CD2 3.31Å; S754-H757 WeakPolarHBondContact O-CA 3.33Å; S754-H757 VanDerWaalsContact O-CB 3.31Å; S754-H757 WeakPolarHBondContact O-CB 3.34Å; S754-H757 PolarHBondContact O-N 3.37Å; E755-H757 VanDerWaalsContact C-N 3.33Å; E755-H757 PolarHBondContact O-N 3.21Å; H757-N760 PolarHBondContact O-N 3.31Å; H757-L761 VanDerWaalsContact O-CB 3.27Å; H757-L761 WeakPolarHBondContact O-CB 3.36Å; H757-L761 PolarHBondContact O-N 3.35Å |
| 758 | K | 88 | Confident | 83.7 | Confident | 109 Ų | 109 | 91.7 Ų | 91.7 | 47% | 0.474 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -58.2 | -48.1 | 176.7 | -175 | -178.2 | 166.8 | -160.1 | 0 | 111.9 | S754 E755 L761 E762 | S754-K758 PolarHBondContact O-N 3.18Å; S754-K758 VanDerWaalsContact O-N 3.09Å; E755-K758 PolarHBondContact O-N 2.94Å; E755-K758 IonicContact OE1-NZ 3.39Å; E755-K758 IonicContact OE2-NZ 3.72Å; E755-K758 PolarHBondContact OE2-NZ 3.27Å; K758-L761 WeakPolarHBondContact O-CB 3Å; K758-L761 PolarHBondContact O-N 3.44Å; K758-E762 WeakPolarHBondContact O-CB 3.46Å; K758-E762 PolarHBondContact O-N 2.98Å |
| 759 | Q | 85.4 | Confident | 83.4 | Confident | 107 Ų | 107 | 93.6 Ų | 93.6 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 177.3 | -74.7 | 174 | -3.2 | 0 | 0 | 112.7 | E755 L761 E762 Q763 | E755-Q759 WeakPolarHBondContact O-CB 3.42Å; E755-Q759 VanDerWaalsContact O-CG 3.25Å; E755-Q759 WeakPolarHBondContact O-CG 3.47Å; E755-Q759 PolarHBondContact O-N 2.96Å; Q759-L761 VanDerWaalsContact C-N 3.27Å; Q759-L761 PolarHBondContact O-N 3.23Å; Q759-E762 PolarHBondContact O-N 3.17Å; Q759-Q763 WeakPolarHBondContact O-CB 3.28Å; Q759-Q763 VanDerWaalsContact O-CG 3.31Å; Q759-Q763 WeakPolarHBondContact O-CG 3.44Å; Q759-Q763 PolarHBondContact O-N 2.83Å |
| 760 | N | 86.8 | Confident | 83.1 | Confident | 42 Ų | 42 | 91.3 Ų | 91.3 | 23% | 0.225 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -66.1 | -32.2 | 176.7 | -71.4 | 14.9 | 0 | 0 | 0 | 111.8 | L736 L756 H757 R764 | L736-N760 HydrophobicContact CD2-CB 3.94Å; L736-N760 WeakPolarHBondContact CD2-O 3.37Å; L736-N760 PolarHBondContact O-ND2 3.44Å; L756-N760 WeakPolarHBondContact O-CB 3.34Å; L756-N760 VanDerWaalsContact O-CG 3.26Å; L756-N760 PolarHBondContact O-N 2.84Å; L756-N760 PolarHBondContact O-OD1 3.37Å; H757-N760 PolarHBondContact O-N 3.31Å; N760-R764 WeakPolarHBondContact O-CB 3.42Å; N760-R764 PolarHBondContact O-N 3.33Å |
| 761 | L | 86.9 | Confident | 82.7 | Confident | 34 Ų | 34 | 95.5 Ų | 95.5 | 18% | 0.178 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -70.9 | -43.7 | 176 | -161.4 | 161.1 | 0 | 0 | 0 | 110.8 | L736 H757 K758 Q759 R764 K765 | L736-L761 HydrophobicContact CD1-CB 3.8Å; L736-L761 HydrophobicContact CD1-CD1 4.03Å; L736-L761 HydrophobicContact CD1-CG 3.92Å; H757-L761 VanDerWaalsContact O-CB 3.27Å; H757-L761 WeakPolarHBondContact O-CB 3.36Å; H757-L761 PolarHBondContact O-N 3.35Å; K758-L761 WeakPolarHBondContact O-CB 3Å; K758-L761 PolarHBondContact O-N 3.44Å; Q759-L761 VanDerWaalsContact C-N 3.27Å; Q759-L761 PolarHBondContact O-N 3.23Å; L761-R764 PolarHBondContact O-N 3.45Å; L761-K765 HydrophobicContact CD2-CD 3.7Å; L761-K765 HydrophobicContact CD2-CG 4.21Å; L761-K765 WeakPolarHBondContact O-CG 3.43Å; L761-K765 PolarHBondContact O-N 2.76Å |
| 762 | E | 85.4 | Confident | 82.4 | Confident | 114 Ų | 114 | 97.8 Ų | 97.8 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -58.5 | -49.9 | 172.6 | -148.9 | 84.5 | -105.9 | 0 | 0 | 111.2 | K758 Q759 R764 K765 A766 | K758-E762 WeakPolarHBondContact O-CB 3.46Å; K758-E762 PolarHBondContact O-N 2.98Å; Q759-E762 PolarHBondContact O-N 3.17Å; E762-R764 VanDerWaalsContact C-N 3.29Å; E762-R764 PolarHBondContact O-N 3.39Å; E762-K765 WeakPolarHBondContact O-CB 3.44Å; E762-K765 PolarHBondContact O-N 2.77Å; E762-K765 VanDerWaalsContact O-N 3.14Å; E762-A766 PolarHBondContact O-N 2.99Å |
| 763 | Q | 84.1 | Confident | 82.2 | Confident | 110 Ų | 110 | 95.3 Ų | 95.3 | 51% | 0.514 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.7 | -37.1 | 177.2 | -74.7 | 176.5 | 11 | 0 | 0 | 112.4 | Q759 A766 Q767 | Q759-Q763 WeakPolarHBondContact O-CB 3.28Å; Q759-Q763 VanDerWaalsContact O-CG 3.31Å; Q759-Q763 WeakPolarHBondContact O-CG 3.44Å; Q759-Q763 PolarHBondContact O-N 2.83Å; Q763-A766 PolarHBondContact O-N 3.05Å; Q763-Q767 VanDerWaalsContact O-CG 3.27Å; Q763-Q767 WeakPolarHBondContact O-CG 3.41Å; Q763-Q767 PolarHBondContact O-N 3.07Å; Q763-Q767 PolarHBondContact O-NE2 2.79Å |
| 764 | R | 79.4 | Confident | 82.3 | Confident | 116 Ų | 116 | 92.7 Ų | 92.7 | 44% | 0.438 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -73.3 | -32.6 | 176.4 | -166.3 | 176.4 | -174.5 | -140.6 | -1.7 | 112.4 | L726 L736 N760 L761 E762 A766 Q767 | L726-R764 VanDerWaalsContact CD1-NH1 3.33Å; L736-R764 HydrophobicContact CD2-CB 4.4Å; N760-R764 WeakPolarHBondContact O-CB 3.42Å; N760-R764 PolarHBondContact O-N 3.33Å; L761-R764 PolarHBondContact O-N 3.45Å; E762-R764 VanDerWaalsContact C-N 3.29Å; E762-R764 PolarHBondContact O-N 3.39Å; R764-A766 VanDerWaalsContact C-N 3.26Å; R764-Q767 PolarHBondContact O-N 3.1Å |
| 765 | K | 81.8 | Confident | 81.6 | Confident | 126 Ų | 126 | 97.2 Ų | 97.2 | 55% | 0.548 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.6 | -23.6 | 170.4 | -78.4 | 177.8 | 173.6 | 169.3 | 0 | 113 | L761 E762 | L761-K765 HydrophobicContact CD2-CD 3.7Å; L761-K765 HydrophobicContact CD2-CG 4.21Å; L761-K765 WeakPolarHBondContact O-CG 3.43Å; L761-K765 PolarHBondContact O-N 2.76Å; E762-K765 WeakPolarHBondContact O-CB 3.44Å; E762-K765 PolarHBondContact O-N 2.77Å; E762-K765 VanDerWaalsContact O-N 3.14Å |
| 766 | A | 78.9 | Confident | 81.2 | Confident | 86 Ų | 86 | 96.2 Ų | 96.2 | 71% | 0.711 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.5 | 6.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 114 | E762 Q763 R764 | E762-A766 PolarHBondContact O-N 2.99Å; Q763-A766 PolarHBondContact O-N 3.05Å; R764-A766 VanDerWaalsContact C-N 3.26Å |
| 767 | Q | 70.6 | Confident | 80.9 | Confident | 153 Ų | 153 | 99.1 Ų | 99.1 | 72% | 0.715 | 49% | 0.486 | S | S | * | . | trans | -121.3 | 9.9 | 176.2 | -71.7 | 170.7 | 26.2 | 0 | 0 | 112.2 | Q763 R764 | Q763-Q767 VanDerWaalsContact O-CG 3.27Å; Q763-Q767 WeakPolarHBondContact O-CG 3.41Å; Q763-Q767 PolarHBondContact O-N 3.07Å; Q763-Q767 PolarHBondContact O-NE2 2.79Å; R764-Q767 PolarHBondContact O-N 3.1Å | ||
| 768 | L | 57.9 | Low | 80.5 | Confident | 185 Ų | 185 | 107.5 Ų | 107.5 | 97% | 0.969 | 53% | 0.528 | S | S | * | . | trans | -120.4 | 0 | 174 | -72.1 | 170.8 | 0 | 0 | 0 | 108.2 |
Retrieved 768 of 768 residues in 488.3 ms
(Link to these results)