| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.9 | Very low | 42.1 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 100% | 1.172 | 81% | 0.805 | S | S | * | * | 0 | 113.7 | 0 | -70.8 | 165.3 | 72.8 | 0 | 0 | 106.8 | |||||
| 2 | V | 39.9 | Very low | 41.7 | Very low | 131 Ų | 131 | 155 Ų | 155 | 79% | 0.794 | 81% | 0.805 | S | S | * | * | cis | -143.9 | 159 | -1.3 | -74.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 3 | N | 38.4 | Very low | 41.9 | Very low | 123 Ų | 123 | 156.8 Ų | 156.8 | 66% | 0.658 | 81% | 0.811 | S | S | * | * | trans | -67.3 | 159 | 165.7 | -71.7 | 19.9 | 0 | 0 | 0 | 110.3 | ||||
| 4 | L | 48.4 | Very low | 41.5 | Very low | 180 Ų | 180 | 152.9 Ų | 152.9 | 94% | 0.942 | 80% | 0.804 | S | S | * | * | -141.9 | 155.9 | 121.2 | -139.6 | 69.9 | 0 | 0 | 0 | 110.1 | |||||
| 5 | E | 44.2 | Very low | 41.1 | Very low | 152 Ų | 152 | 147.8 Ų | 147.8 | 71% | 0.71 | 80% | 0.803 | S | S | * | * | trans | -144.8 | 172.8 | -159 | -162.8 | 178.4 | 116.9 | 0 | 0 | 109.6 | ||||
| 6 | S | 42 | Very low | 40.8 | Very low | 87 Ų | 87 | 149 Ų | 149 | 61% | 0.608 | 81% | 0.808 | S | S | * | * | trans | 74.1 | 156 | 174.6 | -124.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 7 | M | 46.4 | Very low | 40.8 | Very low | 171 Ų | 171 | 147.4 Ų | 147.4 | 84% | 0.842 | 80% | 0.804 | S | S | * | * | cis | -130.1 | 147.9 | 27.8 | -64.9 | -74.9 | 170.2 | 0 | 0 | 114.5 | ||||
| 8 | H | 43.2 | Very low | 40.7 | Very low | 160 Ų | 160 | 144.5 Ų | 144.5 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | trans | -73.5 | 154.3 | 161.1 | -81.9 | 66.8 | 0 | 0 | 0 | 111.2 | ||||
| 9 | T | 45.1 | Very low | 40.2 | Very low | 134 Ų | 134 | 143.5 Ų | 143.5 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -147.5 | 98.5 | 147.9 | 22.6 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 10 | D | 38.8 | Very low | 40 | Very low | 143 Ų | 143 | 142.3 Ų | 142.3 | 77% | 0.765 | 80% | 0.798 | S | S | * | * | trans | -65.7 | 131.1 | 159.7 | -73.7 | -103.7 | 0 | 0 | 0 | 109.7 | ||||
| 11 | I | 42 | Very low | 40 | Very low | 157 Ų | 157 | 141.6 Ų | 141.6 | 81% | 0.805 | 80% | 0.797 | S | S | * | * | trans | -122.7 | 103.8 | 164.2 | -64.2 | -177.1 | 0 | 0 | 0 | 108.5 | ||||
| 12 | K | 37.2 | Very low | 40 | Very low | 184 Ų | 184 | 137.9 Ų | 137.9 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -112 | 117.7 | 173 | 176.8 | -179.4 | 178.6 | 178.7 | 0 | 108.2 | ||||
| 13 | M | 44.1 | Very low | 40 | Very low | 178 Ų | 178 | 136 Ų | 136 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -111.2 | 143.5 | 167.5 | -89.2 | -66.9 | -161 | 0 | 0 | 109.7 | ||||
| 14 | S | 36.2 | Very low | 39.8 | Very low | 103 Ų | 103 | 141.6 Ų | 141.6 | 72% | 0.72 | 79% | 0.793 | S | S | * | * | trans | -117.4 | 155.9 | -178.4 | -65 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 15 | G | 35.5 | Very low | 39 | Very low | 76 Ų | 76 | 140.3 Ų | 140.3 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | 89.3 | 139.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 16 | D | 35.9 | Very low | 38.5 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 79% | 0.788 | S | S | * | * | cis | -136.8 | 179.1 | 38.8 | -135.1 | -62.2 | 0 | 0 | 0 | 114.4 | ||||
| 17 | V | 41.1 | Very low | 38 | Very low | 122 Ų | 122 | 142 Ų | 142 | 74% | 0.739 | 80% | 0.797 | S | S | * | * | trans | -146 | 126.6 | -176.6 | 61.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 18 | A | 38.8 | Very low | 37.3 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | 55 | 117.2 | 163.1 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 19 | D | 31.3 | Very low | 36.8 | Very low | 125 Ų | 125 | 141 Ų | 141 | 67% | 0.668 | 81% | 0.805 | S | S | * | * | -152.3 | 147.2 | 104.8 | -173.4 | 45.1 | 0 | 0 | 0 | 111.6 | |||||
| 20 | S | 37 | Very low | 36.2 | Very low | 119 Ų | 119 | 141.4 Ų | 141.4 | 83% | 0.832 | 81% | 0.807 | S | S | * | * | trans | -170.9 | 101 | 156.3 | -81.8 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 21 | T | 38.6 | Very low | 36 | Very low | 128 Ų | 128 | 142.3 Ų | 142.3 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | -83.8 | 122.6 | -179.4 | 30.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 22 | D | 36.5 | Very low | 36.1 | Very low | 161 Ų | 161 | 140.7 Ų | 140.7 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -102.9 | 136.8 | 169.8 | -173.3 | -115.2 | 0 | 0 | 0 | 111.5 | R24 | D22-R24 PolarHBondContact O-N 2.98Š| ||
| 23 | A | 38.3 | Very low | 35.7 | Very low | 91 Ų | 91 | 135.1 Ų | 135.1 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -93.1 | 98.6 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N25 | A23-N25 PolarHBondContact O-N 3.36Š| ||
| 24 | R | 35.2 | Very low | 35.2 | Very low | 241 Ų | 241 | 133.3 Ų | 133.3 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | -74.1 | 84.8 | -179.5 | -160.5 | 176.9 | -163.2 | 157.1 | 4.2 | 112.8 | D22 | D22-R24 PolarHBondContact O-N 2.98Š| ||
| 25 | N | 32.4 | Very low | 35 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 158.2 | 169 | -157.2 | 0.6 | 0 | 0 | 0 | 111.5 | A23 | A23-N25 PolarHBondContact O-N 3.36Š| ||
| 26 | T | 33.9 | Very low | 35 | Very low | 120 Ų | 120 | 140.1 Ų | 140.1 | 74% | 0.736 | 79% | 0.791 | S | S | * | * | trans | -111.6 | 177.1 | -165.4 | 55.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 27 | L | 30.8 | Very low | 34.8 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 81% | 0.806 | 79% | 0.785 | S | S | * | * | trans | 81.8 | 98.4 | 160.4 | -163.8 | 69.6 | 0 | 0 | 0 | 118.5 | ||||
| 28 | S | 30.7 | Very low | 34.4 | Very low | 128 Ų | 128 | 136.6 Ų | 136.6 | 90% | 0.895 | 78% | 0.784 | S | S | * | * | -156.3 | 139.1 | 119.2 | -82.3 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 29 | Q | 33.3 | Very low | 34.2 | Very low | 183 Ų | 183 | 140.2 Ų | 140.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -135.4 | 120.2 | 179.7 | 173.3 | -171.1 | 10.9 | 0 | 0 | 107.5 | ||||
| 30 | V | 32.6 | Very low | 34.3 | Very low | 141 Ų | 141 | 140.9 Ų | 140.9 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -169.5 | 120.8 | 151.7 | 134.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 31 | E | 35.7 | Very low | 34.2 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 76% | 0.762 | 80% | 0.798 | S | S | * | * | trans | -103.2 | 162 | 144.6 | -96 | -75.1 | 121.5 | 0 | 0 | 105 | ||||
| 32 | P | 42.8 | Very low | 34 | Very low | 123 Ų | 123 | 145.2 Ų | 145.2 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | cis | -143.8 | 175.2 | 38 | 41.5 | -22.7 | 0 | 0 | 0 | 117 | ||||
| 33 | G | 28.3 | Very low | 33.9 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 68% | 0.68 | 79% | 0.792 | S | S | * | * | trans | -177.4 | 27.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 34 | N | 33.9 | Very low | 33.9 | Very low | 140 Ų | 140 | 152.5 Ų | 152.5 | 75% | 0.749 | 80% | 0.796 | S | S | * | * | trans | -4.1 | 121.1 | 159.1 | 179.2 | 104.8 | 0 | 0 | 0 | 119.2 | ||||
| 35 | D | 32 | Very low | 34 | Very low | 135 Ų | 135 | 148.2 Ų | 148.2 | 72% | 0.722 | 79% | 0.79 | S | S | * | * | trans | -156.6 | 168.5 | 136 | -128.9 | -33 | 0 | 0 | 0 | 116 | ||||
| 36 | R | 36.2 | Very low | 34 | Very low | 188 Ų | 188 | 148 Ų | 148 | 71% | 0.709 | 78% | 0.781 | S | S | * | * | trans | -97 | 163.5 | -152.6 | -75.5 | 131.1 | 54.4 | -150.6 | 6.2 | 118 | ||||
| 37 | N | 32.3 | Very low | 34.3 | Very low | 145 Ų | 145 | 148.9 Ų | 148.9 | 78% | 0.775 | 79% | 0.786 | S | S | * | * | trans | 69.9 | 145.4 | 159.5 | -59.5 | -9.7 | 0 | 0 | 0 | 116.7 | ||||
| 38 | G | 32.6 | Very low | 34.4 | Very low | 69 Ų | 69 | 148.1 Ų | 148.1 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | cis | 103.5 | 76.7 | 5.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 39 | L | 33.5 | Very low | 34.6 | Very low | 172 Ų | 172 | 148.1 Ų | 148.1 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | -137.9 | 146.8 | -178.2 | -75.2 | 177.8 | 0 | 0 | 0 | 114.2 | ||||
| 40 | D | 33.4 | Very low | 34.6 | Very low | 138 Ų | 138 | 148 Ų | 148 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | trans | -78.2 | 138.9 | -168.6 | -160.9 | -97.2 | 0 | 0 | 0 | 113.5 | N42 | D40-N42 PolarHBondContact O-N 3.25Å; D40-N42 VanDerWaalsContact O-N 3.16Å; D40-N42 WeakPolarHBondContact OD1-CB 3.29Å | ||
| 41 | F | 34.6 | Very low | 34.5 | Very low | 214 Ų | 214 | 145.5 Ų | 145.5 | 94% | 0.939 | 76% | 0.762 | S | S | * | * | trans | -89.7 | 66.8 | -179.3 | -116.9 | -76.9 | 0 | 0 | 0 | 112.1 | ||||
| 42 | N | 35.5 | Very low | 34.2 | Very low | 125 Ų | 125 | 144.9 Ų | 144.9 | 67% | 0.668 | 76% | 0.764 | S | S | * | * | trans | -148.9 | 65.7 | -173.2 | -142.2 | -29.9 | 0 | 0 | 0 | 115.6 | D40 | D40-N42 PolarHBondContact O-N 3.25Å; D40-N42 VanDerWaalsContact O-N 3.16Å; D40-N42 WeakPolarHBondContact OD1-CB 3.29Å | ||
| 43 | R | 34.5 | Very low | 33.4 | Very low | 227 Ų | 227 | 143.7 Ų | 143.7 | 86% | 0.857 | 76% | 0.759 | S | S | * | * | trans | -149.3 | 122.7 | 152.1 | -155.6 | 141.3 | -63.4 | -117.3 | 1.5 | 116.3 | ||||
| 44 | Q | 38.1 | Very low | 33.5 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -58.8 | 129.9 | 163.1 | 172.4 | -174.9 | 1.1 | 0 | 0 | 113.6 | ||||
| 45 | I | 37.1 | Very low | 33.4 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 77% | 0.774 | 77% | 0.772 | S | S | * | * | trans | -137.1 | 108 | 163.4 | -55.8 | -68 | 0 | 0 | 0 | 104.2 | ||||
| 46 | K | 32.4 | Very low | 33.3 | Very low | 149 Ų | 149 | 151.5 Ų | 151.5 | 65% | 0.648 | 77% | 0.773 | S | S | * | * | 76.9 | 115.5 | 51.4 | -161.2 | 178.8 | 179.7 | -104.1 | 0 | 112.9 | E48 | K46-E48 VanDerWaalsContact CD-OE1 3.29Å; K46-E48 WeakPolarHBondContact CD-OE1 3.35Å; K46-E48 WeakPolarHBondContact CE-OE1 3.46Å; K46-E48 WeakPolarHBondContact CG-OE1 3.35Å; K46-E48 IonicContact NZ-OE1 3.87Å; K46-E48 PolarHBondContact NZ-OE1 3.49Å; K46-E48 IonicContact NZ-OE2 2.59Å; K46-E48 PolarHBondContact NZ-OE2 3.32Å | |||
| 47 | T | 39.7 | Very low | 32.8 | Very low | 137 Ų | 137 | 147.6 Ų | 147.6 | 84% | 0.84 | 77% | 0.771 | S | S | * | * | trans | -82.9 | 136.2 | 176.5 | -18.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 48 | E | 34.2 | Very low | 32.7 | Very low | 138 Ų | 138 | 148 Ų | 148 | 65% | 0.645 | 77% | 0.772 | S | S | * | * | trans | -131.4 | 153 | 165.9 | -28.7 | -86.8 | 118.4 | 0 | 0 | 108.8 | K46 | K46-E48 VanDerWaalsContact CD-OE1 3.29Å; K46-E48 WeakPolarHBondContact CD-OE1 3.35Å; K46-E48 WeakPolarHBondContact CE-OE1 3.46Å; K46-E48 WeakPolarHBondContact CG-OE1 3.35Å; K46-E48 IonicContact NZ-OE1 3.87Å; K46-E48 PolarHBondContact NZ-OE1 3.49Å; K46-E48 IonicContact NZ-OE2 2.59Å; K46-E48 PolarHBondContact NZ-OE2 3.32Å | ||
| 49 | D | 34.7 | Very low | 32.5 | Very low | 129 Ų | 129 | 148.1 Ų | 148.1 | 69% | 0.69 | 76% | 0.762 | S | S | * | * | trans | -90.9 | 149.6 | 177.5 | -173.6 | -88.8 | 0 | 0 | 0 | 111.2 | S51 | D49-S51 PolarHBondContact OD1-N 2.61Å; D49-S51 PolarHBondContact OD1-OG 3.45Å | ||
| 50 | L | 31.7 | Very low | 32.4 | Very low | 179 Ų | 179 | 148 Ų | 148 | 94% | 0.937 | 76% | 0.756 | S | S | * | * | trans | -146.5 | 114.4 | 158.1 | -103.5 | 173.3 | 0 | 0 | 0 | 110.2 | ||||
| 51 | S | 32.4 | Very low | 32.4 | Very low | 90 Ų | 90 | 152 Ų | 152 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -136.4 | 159.5 | 175.4 | 49 | 0 | 0 | 0 | 0 | 111 | D49 | D49-S51 PolarHBondContact OD1-N 2.61Å; D49-S51 PolarHBondContact OD1-OG 3.45Å | ||
| 52 | D | 27.8 | Very low | 32.6 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 80% | 0.802 | 75% | 0.746 | S | S | * | * | trans | 85.6 | 157.9 | 175.8 | -152.9 | -98.2 | 0 | 0 | 0 | 119.6 | ||||
| 53 | S | 26.5 | Very low | 32.2 | Very low | 98 Ų | 98 | 146.4 Ų | 146.4 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | trans | 65.7 | 87.3 | 165.6 | -76.5 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 54 | L | 31.6 | Very low | 32 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 75% | 0.75 | S | S | * | * | trans | -117.6 | 118.9 | 142.2 | -81.4 | 176.4 | 0 | 0 | 0 | 109.7 | ||||
| 55 | Q | 30 | Very low | 31.5 | Very low | 166 Ų | 166 | 143 Ų | 143 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -149.7 | 141.6 | 174.2 | -124.4 | -172.2 | 24 | 0 | 0 | 110.5 | ||||
| 56 | Q | 29.8 | Very low | 31.1 | Very low | 159 Ų | 159 | 140.6 Ų | 140.6 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 72.3 | 140.1 | 166.2 | -58.3 | -177.4 | 52.7 | 0 | 0 | 115 | ||||
| 57 | T | 26.3 | Very low | 31.1 | Very low | 106 Ų | 106 | 143.2 Ų | 143.2 | 65% | 0.65 | 76% | 0.763 | S | S | * | * | cis | -163.9 | 154.5 | 4.6 | 6.3 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 58 | L | 29.9 | Very low | 30.5 | Very low | 153 Ų | 153 | 140 Ų | 140 | 80% | 0.801 | 76% | 0.758 | S | S | * | * | trans | 70.3 | 144.7 | 146.8 | -66.8 | 166.5 | 0 | 0 | 0 | 120.5 | ||||
| 59 | S | 28.7 | Very low | 31.3 | Very low | 71 Ų | 71 | 139.5 Ų | 139.5 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | cis | -173.4 | 167 | -15.7 | -157.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 60 | H | 31.4 | Very low | 31.2 | Very low | 169 Ų | 169 | 137.3 Ų | 137.3 | 78% | 0.782 | 77% | 0.766 | S | S | * | * | trans | 72 | 146.6 | 156.6 | -56.8 | -46.4 | 0 | 0 | 0 | 119.8 | ||||
| 61 | R | 33.8 | Very low | 31.3 | Very low | 224 Ų | 224 | 136.3 Ų | 136.3 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | cis | -152.4 | -171.3 | -4.8 | -122.9 | -162.4 | 102.9 | 165.6 | 0.8 | 111 | ||||
| 62 | P | 39.3 | Very low | 31.5 | Very low | 95 Ų | 95 | 139.7 Ų | 139.7 | 62% | 0.617 | 77% | 0.766 | S | S | * | * | trans | -134.9 | -175.4 | -134.3 | 46.7 | -28.2 | 0 | 0 | 0 | 118 | ||||
| 63 | C | 26.7 | Very low | 31.7 | Very low | 126 Ų | 126 | 138 Ų | 138 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -163.1 | 108 | 142.5 | -94.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 64 | H | 29.6 | Very low | 31.9 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | 58.9 | 115.2 | 94.9 | -173.1 | -84.1 | 0 | 0 | 0 | 116.6 | |||||
| 65 | L | 27.7 | Very low | 31.8 | Very low | 170 Ų | 170 | 134.6 Ų | 134.6 | 89% | 0.89 | 76% | 0.756 | S | S | * | * | trans | -141.9 | 145.4 | 164.8 | -173.6 | 65.5 | 0 | 0 | 0 | 109.3 | ||||
| 66 | S | 29 | Very low | 32.1 | Very low | 99 Ų | 99 | 133.6 Ų | 133.6 | 69% | 0.692 | 75% | 0.751 | S | S | * | * | trans | -117.3 | 157.7 | -164.7 | 54 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 67 | Q | 31.5 | Very low | 32.5 | Very low | 204 Ų | 204 | 132.9 Ų | 132.9 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | trans | -81.8 | 149 | -172.1 | 179.4 | -179.8 | 61.6 | 0 | 0 | 114.1 | ||||
| 68 | G | 27.4 | Very low | 32.8 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | trans | 172.6 | 139.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 69 | P | 50.8 | Low | 32.8 | Very low | 128 Ų | 128 | 129.1 Ų | 129.1 | 83% | 0.831 | 75% | 0.751 | S | S | * | * | trans | -137.7 | 177.6 | -160 | 43.8 | -26.6 | 0 | 0 | 0 | 119.7 | ||||
| 70 | A | 32.5 | Very low | 33.1 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | trans | 80.9 | 157.3 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 71 | M | 34.7 | Very low | 33.1 | Very low | 159 Ų | 159 | 131.6 Ų | 131.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | cis | -166 | -175.6 | 8.6 | 28.9 | -150.2 | 148.4 | 0 | 0 | 112.8 | ||||
| 72 | M | 35.7 | Very low | 33 | Very low | 161 Ų | 161 | 125.7 Ų | 125.7 | 79% | 0.793 | 77% | 0.768 | S | S | * | * | trans | 96.3 | 120.8 | -178 | -56.1 | -60.3 | 118.6 | 0 | 0 | 113.9 | ||||
| 73 | S | 32 | Very low | 32.7 | Very low | 114 Ų | 114 | 126.7 Ų | 126.7 | 80% | 0.797 | 78% | 0.777 | S | S | * | * | cis | 88 | 123.3 | 37.6 | -166.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 74 | G | 31.1 | Very low | 33.9 | Very low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 77% | 0.771 | S | S | * | * | cis | 179 | -160.3 | 0 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 75 | N | 30.6 | Very low | 33.8 | Very low | 146 Ų | 146 | 123 Ų | 123 | 78% | 0.781 | 77% | 0.767 | S | S | * | * | trans | 72.7 | 139.5 | 157 | -76.9 | 33.4 | 0 | 0 | 0 | 120.2 | ||||
| 76 | Q | 35.9 | Very low | 33.9 | Very low | 145 Ų | 145 | 123.6 Ų | 123.6 | 68% | 0.678 | 77% | 0.766 | S | S | * | * | cis | -154.8 | 162.8 | -14.1 | -50.2 | -162 | 89.2 | 0 | 0 | 113.9 | ||||
| 77 | M | 37.4 | Very low | 33.9 | Very low | 143 Ų | 143 | 125 Ų | 125 | 70% | 0.704 | 77% | 0.765 | S | S | * | * | trans | 61.6 | 133.1 | 142.7 | -106.3 | 67 | 91.1 | 0 | 0 | 126.1 | ||||
| 78 | S | 32.7 | Very low | 34 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 79% | 0.79 | 76% | 0.756 | S | S | * | * | trans | 52.4 | 148.5 | 145.1 | -61.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 79 | G | 30.6 | Very low | 34.2 | Very low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 76% | 0.762 | S | S | * | * | cis | 106.1 | 138.2 | 19 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 80 | V | 35.4 | Very low | 33.2 | Very low | 137 Ų | 137 | 123.2 Ų | 123.2 | 83% | 0.83 | 76% | 0.758 | S | S | * | * | cis | -154.8 | 171.5 | 12.6 | -71.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | N | 30.3 | Very low | 33.2 | Very low | 156 Ų | 156 | 127 Ų | 127 | 83% | 0.834 | 77% | 0.766 | S | S | * | * | trans | 6.7 | 129.8 | 160.1 | -59.8 | -6.9 | 0 | 0 | 0 | 120.8 | ||||
| 82 | A | 32.5 | Very low | 33.4 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | 178.7 | 153.5 | 104.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 83 | S | 32.5 | Very low | 34.1 | Very low | 116 Ų | 116 | 124.4 Ų | 124.4 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | trans | -117.8 | -179.1 | 163.4 | -41.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 84 | P | 51.2 | Low | 34.1 | Very low | 112 Ų | 112 | 125.8 Ų | 125.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | cis | -137.8 | -162.9 | -1.9 | 35.9 | -13.1 | 0 | 0 | 0 | 114.4 | ||||
| 85 | C | 27.4 | Very low | 34 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 68% | 0.676 | 76% | 0.762 | S | S | * | * | trans | 85.6 | 136.4 | 152.5 | -70.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 86 | Q | 31.6 | Very low | 34.1 | Very low | 182 Ų | 182 | 132.3 Ų | 132.3 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 68.8 | 150.8 | 149.1 | -69.3 | 163.6 | 41.3 | 0 | 0 | 118.5 | ||||
| 87 | D | 28.1 | Very low | 34.2 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 68% | 0.684 | 77% | 0.771 | S | S | * | * | cis | -158.3 | 168.1 | -29.9 | -160.4 | -177.7 | 0 | 0 | 0 | 109.9 | ||||
| 88 | M | 33.5 | Very low | 34 | Very low | 155 Ų | 155 | 133 Ų | 133 | 76% | 0.764 | 78% | 0.781 | S | S | * | * | trans | 12 | 116.6 | 165.4 | 58.3 | -171.7 | 160.9 | 0 | 0 | 122.3 | ||||
| 89 | A | 31.6 | Very low | 34.2 | Very low | 101 Ų | 101 | 134.7 Ų | 134.7 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | 32.5 | 133.3 | 133.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 90 | S | 29.2 | Very low | 34.7 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | -172.6 | 165.8 | 107.6 | -138.1 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 91 | L | 32.6 | Very low | 34.9 | Very low | 161 Ų | 161 | 136.4 Ų | 136.4 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | trans | 55.1 | 103 | 152.4 | -71.2 | 163.3 | 0 | 0 | 0 | 122.4 | ||||
| 92 | H | 40.3 | Very low | 34.9 | Very low | 173 Ų | 173 | 132.7 Ų | 132.7 | 80% | 0.801 | 78% | 0.778 | S | S | * | * | trans | -60.6 | 171.4 | 132.9 | -111.2 | -114.2 | 0 | 0 | 0 | 110.7 | ||||
| 93 | P | 50.5 | Low | 35.1 | Very low | 94 Ų | 94 | 135.4 Ų | 135.4 | 61% | 0.61 | 77% | 0.773 | S | S | * | * | cis | -149.8 | 178.4 | 22.8 | 45.6 | -26.3 | 0 | 0 | 0 | 118.9 | ||||
| 94 | L | 31.2 | Very low | 35 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | 68 | 151.9 | 158.1 | -48.5 | -169.5 | 0 | 0 | 0 | 117.8 | ||||
| 95 | Q | 29.5 | Very low | 34.1 | Very low | 161 Ų | 161 | 139.9 Ų | 139.9 | 75% | 0.752 | 78% | 0.776 | S | S | * | * | cis | -159.5 | 179.9 | -12.9 | -121.3 | -173.6 | 119.6 | 0 | 0 | 111.9 | ||||
| 96 | Q | 32.6 | Very low | 34.3 | Very low | 183 Ų | 183 | 140.5 Ų | 140.5 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | trans | 75.1 | 151 | 170.8 | -62.3 | -176.5 | -46 | 0 | 0 | 117.7 | ||||
| 97 | L | 37.4 | Very low | 34.4 | Very low | 151 Ų | 151 | 137.7 Ų | 137.7 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | cis | 171.3 | 101.5 | -43.1 | 168.6 | 72.4 | 0 | 0 | 0 | 107.1 | ||||
| 98 | V | 33.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 136.8 Ų | 136.8 | 91% | 0.909 | 78% | 0.78 | S | S | * | * | trans | -141.1 | 151.8 | 159 | -179.1 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 99 | L | 37.2 | Very low | 34.5 | Very low | 150 Ų | 150 | 137.2 Ų | 137.2 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | -121 | -175.3 | -165.5 | -171.7 | 57.9 | 0 | 0 | 0 | 111.5 | ||||
| 100 | V | 40.4 | Very low | 34.5 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 74% | 0.739 | 78% | 0.781 | S | S | * | * | trans | 79.9 | 145.1 | 164.5 | -140.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 101 | P | 39.3 | Very low | 34.5 | Very low | 117 Ų | 117 | 143.4 Ų | 143.4 | 76% | 0.76 | 78% | 0.781 | S | S | * | * | -133.2 | 130.1 | -73.3 | 37.3 | -20 | 0 | 0 | 0 | 114.3 | |||||
| 102 | G | 30.2 | Very low | 34.7 | Very low | 78 Ų | 78 | 142.6 Ų | 142.6 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | trans | -96.1 | 119 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 103 | H | 37 | Very low | 34.1 | Very low | 158 Ų | 158 | 139.9 Ų | 139.9 | 73% | 0.731 | 78% | 0.777 | S | S | * | * | trans | -79.8 | 118.3 | 168.6 | 174 | 91.6 | 0 | 0 | 0 | 110.3 | ||||
| 104 | L | 29.6 | Very low | 33.2 | Very low | 163 Ų | 163 | 143 Ų | 143 | 85% | 0.853 | 78% | 0.784 | S | S | * | * | trans | -130.6 | 114.5 | 174.5 | -69.8 | 178 | 0 | 0 | 0 | 111.3 | ||||
| 105 | Q | 34.1 | Very low | 33.1 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 78% | 0.781 | S | S | * | * | trans | -79.3 | 120.6 | 156.5 | -66.3 | -172.4 | -1.4 | 0 | 0 | 108.4 | ||||
| 106 | S | 31.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 141.9 Ų | 141.9 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | trans | -98.2 | 109.3 | 174.1 | -171.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 107 | V | 31.9 | Very low | 33.7 | Very low | 123 Ų | 123 | 139.3 Ų | 139.3 | 75% | 0.745 | 78% | 0.782 | S | S | * | * | trans | -88.5 | 109.2 | 173.1 | -177.1 | 0 | 0 | 0 | 0 | 108.5 | Q109 | V107-Q109 PolarHBondContact O-N 3.19Å; V107-Q109 VanDerWaalsContact O-N 3.07Å | ||
| 108 | S | 30.2 | Very low | 33.2 | Very low | 109 Ų | 109 | 134.8 Ų | 134.8 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | -65.3 | 105.9 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 111.8 | F110 | S108-F110 PolarHBondContact O-N 3.08Š| ||
| 109 | Q | 33.8 | Very low | 33.2 | Very low | 165 Ų | 165 | 136.2 Ų | 136.2 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | -70.5 | 125.2 | 170.4 | -64.3 | -169.1 | 20.9 | 0 | 0 | 110.6 | V107 | V107-Q109 PolarHBondContact O-N 3.19Å; V107-Q109 VanDerWaalsContact O-N 3.07Å | ||
| 110 | F | 32.5 | Very low | 33 | Very low | 195 Ų | 195 | 138.1 Ų | 138.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | -103.9 | 73.4 | 175.8 | -150.3 | -85.4 | 0 | 0 | 0 | 110.4 | S108 L112 | S108-F110 PolarHBondContact O-N 3.08Å; F110-L112 PolarHBondContact O-N 3.44Å | ||
| 111 | L | 29.5 | Very low | 32.5 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | -82.6 | 92.2 | -176.5 | -116.5 | 167.9 | 0 | 0 | 0 | 111 | S113 | L111-S113 PolarHBondContact O-N 3.15Š| ||
| 112 | L | 35.8 | Very low | 32 | Very low | 144 Ų | 144 | 138.3 Ų | 138.3 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | trans | -79.8 | 96.3 | 177.5 | -177.1 | 67 | 0 | 0 | 0 | 110.8 | F110 Q114 | F110-L112 PolarHBondContact O-N 3.44Å; L112-Q114 PolarHBondContact O-N 3.04Å | ||
| 113 | S | 28.7 | Very low | 32.2 | Very low | 116 Ų | 116 | 143 Ų | 143 | 81% | 0.811 | 78% | 0.781 | S | S | * | * | trans | -66.2 | 129.9 | 174.6 | -64.9 | 0 | 0 | 0 | 0 | 112.3 | L111 | L111-S113 PolarHBondContact O-N 3.15Š| ||
| 114 | Q | 30.6 | Very low | 32.6 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -144.9 | 148.6 | 175.1 | -160.7 | -119.2 | 112.3 | 0 | 0 | 110 | L112 | L112-Q114 PolarHBondContact O-N 3.04Š| ||
| 115 | T | 28.9 | Very low | 32.6 | Very low | 111 Ų | 111 | 140.5 Ų | 140.5 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | trans | 109.1 | 144.2 | 168.9 | 68.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 116 | Q | 35.6 | Very low | 32.4 | Very low | 168 Ų | 168 | 139.7 Ų | 139.7 | 79% | 0.785 | 78% | 0.779 | S | S | * | * | trans | 70.5 | 151 | 162.9 | -62.4 | -102.2 | 44.5 | 0 | 0 | 115.2 | ||||
| 117 | P | 38.6 | Very low | 32.7 | Very low | 130 Ų | 130 | 142.4 Ų | 142.4 | 84% | 0.844 | 78% | 0.784 | S | S | * | * | cis | -106.3 | 173.3 | 39 | 40.4 | -37.3 | 0 | 0 | 0 | 116.1 | ||||
| 118 | G | 28.5 | Very low | 33 | Very low | 56 Ų | 56 | 141.9 Ų | 141.9 | 58% | 0.577 | 78% | 0.783 | S | S | * | * | trans | -132.9 | 152 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 119 | Q | 33.9 | Very low | 33.1 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 84% | 0.836 | 79% | 0.79 | S | S | * | * | trans | 41.9 | 118.5 | 152.2 | -65.5 | -72.5 | 17.4 | 0 | 0 | 121.6 | ||||
| 120 | Q | 32.9 | Very low | 33.5 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | 166.7 | 143.7 | 109.4 | -87.4 | -180 | 24.3 | 0 | 0 | 109.9 | |||||
| 121 | G | 28 | Very low | 33.6 | Very low | 72 Ų | 72 | 143.6 Ų | 143.6 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | trans | 171.7 | 12 | 179.5 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 122 | L | 30.1 | Very low | 33.9 | Very low | 170 Ų | 170 | 145.4 Ų | 145.4 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | 65.9 | 146.6 | 160.4 | -59.1 | 175.6 | 0 | 0 | 0 | 122.6 | ||||
| 123 | Q | 34.4 | Very low | 33.7 | Very low | 178 Ų | 178 | 146.9 Ų | 146.9 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 73.5 | 128.8 | 163.2 | -60.5 | -65.1 | 54.8 | 0 | 0 | 122.2 | ||||
| 124 | P | 44.4 | Very low | 33.8 | Very low | 106 Ų | 106 | 147.6 Ų | 147.6 | 69% | 0.688 | 80% | 0.802 | S | S | * | * | trans | -99 | 158.1 | 168.1 | 38.7 | -32.5 | 0 | 0 | 0 | 112.9 | ||||
| 125 | N | 29.6 | Very low | 33.8 | Very low | 161 Ų | 161 | 145.7 Ų | 145.7 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -130.9 | 138.7 | 157.1 | -171.4 | 77 | 0 | 0 | 0 | 110 | ||||
| 126 | L | 31.5 | Very low | 34.2 | Very low | 143 Ų | 143 | 148.1 Ų | 148.1 | 75% | 0.749 | 81% | 0.814 | S | S | * | * | trans | -99.5 | -175.6 | -170.9 | -68.8 | 166.8 | 0 | 0 | 0 | 112.5 | ||||
| 127 | L | 36.7 | Very low | 33.9 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 88% | 0.88 | 82% | 0.82 | S | S | * | * | trans | 91.2 | 146.1 | 164.9 | -60.8 | 172 | 0 | 0 | 0 | 116.9 | ||||
| 128 | P | 38.6 | Very low | 33.8 | Very low | 113 Ų | 113 | 150.1 Ų | 150.1 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | -132.1 | 172.3 | -124.4 | 42.8 | -29.2 | 0 | 0 | 0 | 116.4 | |||||
| 129 | F | 32 | Very low | 34.7 | Very low | 204 Ų | 204 | 152.7 Ų | 152.7 | 90% | 0.895 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 136.5 | 162.8 | -93 | -98.2 | 0 | 0 | 0 | 111.7 | ||
| 130 | P | 42.1 | Very low | 34.3 | Very low | 117 Ų | 117 | 152.2 Ų | 152.2 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 138 | 170.5 | 32 | -32.9 | 0 | 0 | 0 | 111.9 | ||
| 131 | Q | 34.6 | Very low | 34.3 | Very low | 184 Ų | 184 | 148.6 Ų | 148.6 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -100.2 | 130.2 | 174 | -177.9 | 177 | -80.5 | 0 | 0 | 109.7 | ||
| 132 | Q | 35.6 | Very low | 34.3 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 82% | 0.817 | S | S | * | * | trans | -131.2 | 142.1 | 174.5 | -80.6 | -82 | -77 | 0 | 0 | 110 | ||||
| 133 | Q | 33 | Very low | 34.9 | Very low | 175 Ų | 175 | 147 Ų | 147 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -94.2 | 151.2 | -175.5 | -63.2 | 161.1 | -91 | 0 | 0 | 111 | ||||
| 134 | S | 29.6 | Very low | 34.4 | Very low | 131 Ų | 131 | 141.7 Ų | 141.7 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | trans | -103.7 | 115.2 | 167.4 | -62.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 135 | S | 31.3 | Very low | 33.9 | Very low | 121 Ų | 121 | 145.1 Ų | 145.1 | 85% | 0.846 | 82% | 0.821 | S | S | * | * | trans | -96.2 | 160.3 | 164.9 | -76.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 136 | L | 37.9 | Very low | 33.8 | Very low | 163 Ų | 163 | 141.2 Ų | 141.2 | 85% | 0.853 | 81% | 0.811 | S | S | * | * | trans | -71.8 | 151.5 | -178.4 | -61 | 162.6 | 0 | 0 | 0 | 112.4 | ||||
| 137 | L | 28.9 | Very low | 33.6 | Very low | 174 Ų | 174 | 139.4 Ų | 139.4 | 91% | 0.911 | 81% | 0.81 | S | S | * | * | -179.6 | 175.1 | 120 | -93.8 | 170.9 | 0 | 0 | 0 | 111.7 | |||||
| 138 | L | 35.4 | Very low | 33.2 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | trans | -113.3 | -166.1 | -169 | -141.7 | 76.6 | 0 | 0 | 0 | 111.8 | ||||
| 139 | P | 47.7 | Very low | 32.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -117.3 | 178.9 | -123.9 | 42 | -25.3 | 0 | 0 | 0 | 115.2 | |||||
| 140 | Q | 26.8 | Very low | 32.9 | Very low | 169 Ų | 169 | 135.2 Ų | 135.2 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -162.7 | 155.4 | 152.6 | -109.5 | -63.8 | 41.9 | 0 | 0 | 114.6 | ||||
| 141 | T | 32 | Very low | 32.4 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 71% | 0.712 | 81% | 0.805 | S | S | * | * | trans | 47.7 | 127.9 | 157 | 51.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 142 | G | 27.6 | Very low | 32.2 | Very low | 71 Ų | 71 | 135.4 Ų | 135.4 | 73% | 0.732 | 81% | 0.806 | S | S | * | * | trans | -88.7 | -145.4 | 152.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 143 | P | 42.3 | Very low | 32.4 | Very low | 138 Ų | 138 | 132.5 Ų | 132.5 | 90% | 0.896 | 80% | 0.803 | S | S | * | * | cis | -133.5 | -172.9 | 5.5 | 43.7 | -27.7 | 0 | 0 | 0 | 114.6 | ||||
| 144 | G | 25.7 | Very low | 32.2 | Very low | 65 Ų | 65 | 127.4 Ų | 127.4 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | 147.5 | 118.4 | 148.5 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 145 | L | 32.3 | Very low | 32.6 | Very low | 178 Ų | 178 | 129.4 Ų | 129.4 | 93% | 0.932 | 80% | 0.796 | S | S | * | * | trans | 63.1 | 158.3 | 152 | -49.4 | 177.7 | 0 | 0 | 0 | 119.6 | ||||
| 146 | A | 27.3 | Very low | 33.3 | Very low | 80 Ų | 80 | 129.7 Ų | 129.7 | 66% | 0.661 | 80% | 0.796 | S | S | * | * | cis | -174 | 152.3 | -42.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 147 | S | 28.2 | Very low | 32.8 | Very low | 104 Ų | 104 | 125.5 Ų | 125.5 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | trans | 72.1 | 149.3 | 164.1 | -64.5 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 148 | Q | 29 | Very low | 32.9 | Very low | 169 Ų | 169 | 123 Ų | 123 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | cis | -160 | 153.6 | -20.8 | -117.7 | -179.7 | 87.9 | 0 | 0 | 109.1 | ||||
| 149 | A | 29.7 | Very low | 32.7 | Very low | 103 Ų | 103 | 120 Ų | 120 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | -144.5 | 124.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 150 | V | 33.5 | Very low | 32.2 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 76% | 0.758 | 79% | 0.79 | S | S | * | * | trans | -89.6 | 130.2 | -173.8 | 171.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 151 | G | 31.4 | Very low | 32.5 | Very low | 74 Ų | 74 | 122.2 Ų | 122.2 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | trans | -126.6 | 131.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 152 | R | 31.9 | Very low | 32.9 | Very low | 231 Ų | 231 | 122.7 Ų | 122.7 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -99.3 | 155.5 | 173.3 | -91.2 | -175 | 63.1 | -161.4 | -3 | 111.5 | ||||
| 153 | P | 38.6 | Very low | 33.1 | Very low | 121 Ų | 121 | 126.3 Ų | 126.3 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | -92.6 | 171.2 | -168.9 | -0.1 | 22.3 | 0 | 0 | 0 | 113.5 | ||||
| 154 | G | 29.8 | Very low | 33 | Very low | 67 Ų | 67 | 126.5 Ų | 126.5 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | trans | -109.5 | -136 | 174 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 155 | L | 36.9 | Very low | 33.1 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 91% | 0.906 | 79% | 0.793 | S | S | * | * | trans | 78.5 | 162.2 | -177.2 | -52.1 | 177.4 | 0 | 0 | 0 | 115.2 | ||||
| 156 | P | 46.3 | Very low | 33.1 | Very low | 128 Ų | 128 | 128.1 Ų | 128.1 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | cis | -135.9 | -175.5 | -40.4 | 36.5 | -20 | 0 | 0 | 0 | 112.8 | ||||
| 157 | G | 28.3 | Very low | 33.3 | Very low | 75 Ų | 75 | 129.9 Ų | 129.9 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | 153.8 | 114.5 | 152.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 158 | S | 30.1 | Very low | 33.7 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | trans | -1.4 | 138.7 | 155.1 | -71.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 159 | S | 31.7 | Very low | 33.9 | Very low | 103 Ų | 103 | 133.7 Ų | 133.7 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | 50.8 | 121.8 | 118 | -161.9 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 160 | L | 36.8 | Very low | 34.3 | Very low | 171 Ų | 171 | 135.9 Ų | 135.9 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | -177.2 | 160.2 | 108.6 | -93.5 | 170.4 | 0 | 0 | 0 | 111.2 | |||||
| 161 | E | 32.7 | Very low | 34.9 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 72% | 0.724 | 79% | 0.788 | S | S | * | * | trans | -99 | 161.1 | 175.5 | -142.2 | -157.7 | 106.3 | 0 | 0 | 110.9 | H163 | E161-H163 WeakPolarHBondContact OE1-CB 3.39Å; E161-H163 PolarHBondContact OE1-N 3.33Å | ||
| 162 | P | 40.3 | Very low | 35.1 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | -152.8 | 138.1 | 94.7 | 37.3 | -18.1 | 0 | 0 | 0 | 118.6 | |||||
| 163 | H | 32.8 | Very low | 35.1 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | trans | -10.8 | 150.3 | 146.3 | -171.6 | -159.5 | 0 | 0 | 0 | 121.6 | E161 | E161-H163 WeakPolarHBondContact OE1-CB 3.39Å; E161-H163 PolarHBondContact OE1-N 3.33Å | ||
| 164 | L | 40 | Very low | 35 | Very low | 142 Ų | 142 | 134.9 Ų | 134.9 | 74% | 0.743 | 78% | 0.784 | S | S | * | * | trans | 112.2 | 133.9 | 165 | -60.9 | 169.8 | 0 | 0 | 0 | 112.5 | ||||
| 165 | E | 27.8 | Very low | 35.2 | Very low | 193 Ų | 193 | 140 Ų | 140 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | cis | -140.3 | 165.4 | 22.5 | -171.4 | 165.7 | 89.5 | 0 | 0 | 114.1 | ||||
| 166 | A | 32 | Very low | 35.6 | Very low | 83 Ų | 83 | 138.3 Ų | 138.3 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -85.9 | 165.6 | -154.8 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 167 | S | 30.7 | Very low | 35.4 | Very low | 117 Ų | 117 | 137.7 Ų | 137.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 74.9 | 145.5 | 152.2 | -58.9 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 168 | Q | 36.5 | Very low | 36.1 | Very low | 195 Ų | 195 | 138.8 Ų | 138.8 | 91% | 0.911 | 77% | 0.773 | S | S | * | * | cis | -130.3 | 167.4 | 22.1 | -66.3 | 179.3 | 16.5 | 0 | 0 | 115.5 | ||||
| 169 | H | 34.6 | Very low | 36.7 | Very low | 159 Ų | 159 | 139.4 Ų | 139.4 | 74% | 0.736 | 78% | 0.777 | S | S | * | * | trans | -90.1 | 153.3 | -178.7 | -162 | -153.6 | 0 | 0 | 0 | 109.3 | ||||
| 170 | L | 37.9 | Very low | 36.6 | Very low | 148 Ų | 148 | 138 Ų | 138 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | cis | -154.3 | 173.6 | 46.2 | -101.9 | 101.5 | 0 | 0 | 0 | 112.6 | ||||
| 171 | P | 45.3 | Very low | 36.8 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 68% | 0.675 | 78% | 0.78 | S | S | * | * | trans | -111.3 | 162.9 | -172.1 | 40.4 | -32.3 | 0 | 0 | 0 | 116.4 | ||||
| 172 | V | 35.3 | Very low | 36.9 | Very low | 150 Ų | 150 | 131 Ų | 131 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -128.2 | 138.3 | 156.9 | 174.7 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 173 | S | 33.2 | Very low | 37.3 | Very low | 88 Ų | 88 | 132.9 Ų | 132.9 | 62% | 0.615 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 145.8 | -171.7 | -84.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 174 | K | 37 | Very low | 38.2 | Very low | 189 Ų | 189 | 134 Ų | 134 | 82% | 0.822 | 79% | 0.79 | S | S | * | * | trans | 54.9 | 107.5 | 135.2 | -55.4 | 164.7 | -166.4 | 175.1 | 0 | 118.7 | ||||
| 175 | H | 34 | Very low | 39 | Very low | 173 Ų | 173 | 129.3 Ų | 129.3 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | -156.1 | 138.4 | 99.3 | -152.2 | -98.4 | 0 | 0 | 0 | 112.1 | |||||
| 176 | L | 45.1 | Very low | 41.5 | Very low | 139 Ų | 139 | 124 Ų | 124 | 73% | 0.728 | 75% | 0.752 | S | S | * | * | trans | -114.2 | 115.1 | 167.8 | 171.8 | 70.7 | 0 | 0 | 0 | 107.4 | S178 | L176-S178 PolarHBondContact O-N 3.26Š| ||
| 177 | P | 42.2 | Very low | 44.1 | Very low | 115 Ų | 115 | 125.3 Ų | 125.3 | 75% | 0.747 | 75% | 0.748 | S | S | * | * | trans | -79.4 | 112 | 165.4 | 31 | -28.9 | 0 | 0 | 0 | 109 | ||||
| 178 | S | 42.5 | Very low | 46.9 | Very low | 97 Ų | 97 | 124.7 Ų | 124.7 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -138.6 | 124.7 | 169.1 | -176.2 | 0 | 0 | 0 | 0 | 109.8 | L176 | L176-S178 PolarHBondContact O-N 3.26Š| ||
| 179 | S | 41.7 | Very low | 49.5 | Very low | 133 Ų | 133 | 119.7 Ų | 119.7 | 93% | 0.93 | 71% | 0.711 | S | S | * | * | trans | 67.3 | 138.3 | 176.6 | -154.7 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 180 | G | 31.2 | Very low | 52.3 | Low | 74 Ų | 74 | 115.4 Ų | 115.4 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | trans | 142.2 | 101.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 181 | G | 39.4 | Very low | 55 | Low | 89 Ų | 89 | 108.5 Ų | 108.5 | 92% | 0.918 | 66% | 0.655 | S | S | * | * | trans | -79.5 | 133.2 | -170.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 182 | A | 36.4 | Very low | 57.3 | Low | 90 Ų | 90 | 107 Ų | 107 | 74% | 0.744 | 64% | 0.639 | S | S | * | * | trans | -139.8 | 150.3 | 153.9 | 0 | 0 | 0 | 0 | 0 | 107.3 | E184 | A182-E184 PolarHBondContact O-N 3Š| ||
| 183 | D | 47.3 | Very low | 60.2 | Low | 164 Ų | 164 | 104.5 Ų | 104.5 | 88% | 0.877 | 62% | 0.616 | S | S | * | * | trans | -66.9 | 89.5 | -174.7 | -61.4 | -106.7 | 0 | 0 | 0 | 112.6 | P185 | D183-P185 VanDerWaalsContact O-CD 3.31Å; D183-P185 WeakPolarHBondContact O-CD 3.34Å | ||
| 184 | E | 52.1 | Low | 63.3 | Low | 172 Ų | 172 | 101.2 Ų | 101.2 | 80% | 0.804 | 59% | 0.591 | S | S | * | * | trans | -60.5 | 112.9 | 151.5 | -103.5 | -74.6 | 89.6 | 0 | 0 | 107.2 | A182 S186 | A182-E184 PolarHBondContact O-N 3Å; E184-S186 PolarHBondContact O-N 3.4Å | ||
| 185 | P | 57.2 | Low | 66.1 | Low | 43 Ų | 43 | 92.2 Ų | 92.2 | 28% | 0.279 | 55% | 0.552 | S | S | . | * | trans | -65.3 | 112.1 | -179.9 | 28.3 | -33.2 | 0 | 0 | 0 | 107.5 | D183 D187 E189 E190 | D183-P185 VanDerWaalsContact O-CD 3.31Å; D183-P185 WeakPolarHBondContact O-CD 3.34Å; P185-D187 PolarHBondContact O-N 3.32Å; P185-E189 WeakPolarHBondContact CB-OE2 3.34Å; P185-E190 HydrophobicContact CB-CB 4.27Å; P185-E190 HydrophobicContact CG-CB 4.39Å; P185-E190 HydrophobicContact CG-CG 4.18Å | ||
| 186 | S | 81.1 | Confident | 69.1 | Low | 83 Ų | 83 | 90.2 Ų | 90.2 | 58% | 0.58 | 54% | 0.541 | S | S | * | . | trans | -49 | 136.2 | -176.7 | -172.5 | 0 | 0 | 0 | 0 | 109.9 | E184 L188 E189 E190 | E184-S186 PolarHBondContact O-N 3.4Å; S186-L188 CarbonylContact O-C 3.56Å; S186-L188 PolarHBondContact O-N 2.95Å; S186-E189 WeakPolarHBondContact O-CA 3.47Å; S186-E189 WeakPolarHBondContact O-CB 3.44Å; S186-E189 PolarHBondContact O-N 3.47Å; S186-E190 PolarHBondContact O-N 2.99Å | ||
| 187 | D | 84.8 | Confident | 71.6 | Confident | 110 Ų | 110 | 86 Ų | 86 | 59% | 0.588 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -45.1 | -33.7 | -173.9 | -74 | -62.3 | 0 | 0 | 0 | 113.4 | P185 L191 F239 | P185-D187 PolarHBondContact O-N 3.32Å; D187-L191 WeakPolarHBondContact O-CB 3.48Å; D187-L191 PolarHBondContact O-N 3Å; D187-F239 HydrophobicContact CB-CE2 3.66Å; D187-F239 HydrophobicContact CB-CZ 3.45Å; D187-F239 VanDerWaalsContact CB-CZ 3.45Å |
| 188 | L | 89.4 | Confident | 74.2 | Confident | 104 Ų | 104 | 80.5 Ų | 80.5 | 55% | 0.545 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 177.6 | -176.5 | 63.2 | 0 | 0 | 0 | 113.5 | S186 E192 F239 | S186-L188 CarbonylContact O-C 3.56Å; S186-L188 PolarHBondContact O-N 2.95Å; L188-E192 WeakPolarHBondContact O-CB 3.43Å; L188-E192 PolarHBondContact O-N 3.24Å; L188-F239 HydrophobicContact CD1-CD2 4.44Å |
| 189 | E | 90.9 | Very high | 76.8 | Confident | 89 Ų | 89 | 80.5 Ų | 80.5 | 42% | 0.416 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.4 | -40.7 | 176.9 | -164.6 | -145.9 | 174.4 | 0 | 0 | 111.1 | P185 S186 L191 E192 K193 | P185-E189 WeakPolarHBondContact CB-OE2 3.34Å; S186-E189 WeakPolarHBondContact O-CA 3.47Å; S186-E189 WeakPolarHBondContact O-CB 3.44Å; S186-E189 PolarHBondContact O-N 3.47Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.24Å; E189-E192 PolarHBondContact O-N 2.88Å; E189-E192 VanDerWaalsContact O-N 3.16Å; E189-K193 VanDerWaalsContact CD-CE 3.43Å; E189-K193 WeakPolarHBondContact O-CB 3.47Å; E189-K193 VanDerWaalsContact O-CG 3.3Å; E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.09Å; E189-K193 WeakPolarHBondContact OE1-CE 3.31Å; E189-K193 IonicContact OE1-NZ 3.96Å; E189-K193 PolarHBondContact OE1-NZ 2.76Å; E189-K193 IonicContact OE2-NZ 3.72Å; E189-K193 PolarHBondContact OE2-NZ 2.89Å |
| 190 | E | 93.6 | Very high | 79.5 | Confident | 69 Ų | 69 | 80.8 Ų | 80.8 | 32% | 0.322 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.3 | -39.1 | 174.7 | -159.8 | -88.2 | 145.5 | 0 | 0 | 110.8 | P185 S186 F194 K246 | P185-E190 HydrophobicContact CB-CB 4.27Å; P185-E190 HydrophobicContact CG-CB 4.39Å; P185-E190 HydrophobicContact CG-CG 4.18Å; S186-E190 PolarHBondContact O-N 2.99Å; E190-F194 WeakPolarHBondContact O-CB 3.21Å; E190-F194 PolarHBondContact O-N 3.42Å; E190-K246 IonicContact OE1-NZ 2.71Å; E190-K246 PolarHBondContact OE1-NZ 3.24Å; E190-K246 IonicContact OE2-NZ 2.93Å; E190-K246 PolarHBondContact OE2-NZ 2.69Å |
| 191 | L | 94.6 | Very high | 82.6 | Confident | 4 Ų | 4 | 81.7 Ų | 81.7 | 2% | 0.021 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -68 | -35.2 | 170 | 179.7 | 69.5 | 0 | 0 | 0 | 114 | D187 E189 F194 A195 F232 F239 M242 K246 | D187-L191 WeakPolarHBondContact O-CB 3.48Å; D187-L191 PolarHBondContact O-N 3Å; E189-L191 VanDerWaalsContact C-N 3.31Å; E189-L191 PolarHBondContact O-N 3.24Å; L191-F194 PolarHBondContact O-N 3.07Å; L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 2.81Å; L191-F232 HydrophobicContact CD1-CE2 4.41Å; L191-F232 HydrophobicContact CD1-CZ 4.27Å; L191-F239 HydrophobicContact CD2-CD2 4.11Å; L191-F239 HydrophobicContact CD2-CE2 4.39Å; L191-M242 HydrophobicContact CD1-CB 3.93Å; L191-M242 HydrophobicContact CD1-CE 3.92Å; L191-M242 HydrophobicContact CD2-CB 3.35Å; L191-M242 HydrophobicContact CD2-CE 4.03Å; L191-M242 HydrophobicContact CD2-CG 3.9Å; L191-M242 HydrophobicContact CG-CB 4.15Å; L191-M242 HydrophobicContact CG-CE 3.93Å; L191-K246 HydrophobicContact CD1-CB 4.25Å; L191-K246 HydrophobicContact CD1-CD 4.43Å |
| 192 | E | 95 | Very high | 85.3 | Confident | 71 Ų | 71 | 78.6 Ų | 78.6 | 33% | 0.332 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -68.1 | -44.9 | 173.9 | 174.3 | 170.2 | 167 | 0 | 0 | 111.5 | L188 E189 F194 A195 K196 L235 | L188-E192 WeakPolarHBondContact O-CB 3.43Å; L188-E192 PolarHBondContact O-N 3.24Å; E189-E192 PolarHBondContact O-N 2.88Å; E189-E192 VanDerWaalsContact O-N 3.16Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.34Å; E192-A195 PolarHBondContact O-N 3.49Å; E192-K196 HydrophobicContact CG-CD 4.04Å; E192-K196 WeakPolarHBondContact O-CB 3.29Å; E192-K196 WeakPolarHBondContact O-CG 3.43Å; E192-K196 PolarHBondContact O-N 3.13Å; E192-K196 VanDerWaalsContact OE1-CE 3.24Å; E192-K196 WeakPolarHBondContact OE1-CE 3.36Å; E192-K196 IonicContact OE1-NZ 2.88Å; E192-K196 PolarHBondContact OE1-NZ 3Å; E192-L235 HydrophobicContact CB-CD1 3.97Å; E192-L235 HydrophobicContact CG-CD1 3.95Å |
| 193 | K | 95.6 | Very high | 88.1 | Confident | 98 Ų | 98 | 78.9 Ų | 78.9 | 43% | 0.426 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -55.4 | -45.8 | 170.9 | -72.5 | 164 | -178.7 | 163.7 | 0 | 110.3 | E189 T197 | E189-K193 VanDerWaalsContact CD-CE 3.43Å; E189-K193 WeakPolarHBondContact O-CB 3.47Å; E189-K193 VanDerWaalsContact O-CG 3.3Å; E189-K193 WeakPolarHBondContact O-CG 3.24Å; E189-K193 PolarHBondContact O-N 3.09Å; E189-K193 WeakPolarHBondContact OE1-CE 3.31Å; E189-K193 IonicContact OE1-NZ 3.96Å; E189-K193 PolarHBondContact OE1-NZ 2.76Å; E189-K193 IonicContact OE2-NZ 3.72Å; E189-K193 PolarHBondContact OE2-NZ 2.89Å; K193-T197 VanDerWaalsContact O-CB 3.27Å; K193-T197 WeakPolarHBondContact O-CB 3.22Å; K193-T197 PolarHBondContact O-N 3.46Å; K193-T197 PolarHBondContact O-OG1 2.98Å |
| 194 | F | 97.3 | Very high | 90.5 | Very high | 19 Ų | 19 | 79.6 Ų | 79.6 | 8% | 0.083 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -61.9 | -50.2 | 174.7 | -178.8 | -91.6 | 0 | 0 | 0 | 112.6 | E190 L191 E192 K196 T197 F198 F232 K246 L249 E250 | E190-F194 WeakPolarHBondContact O-CB 3.21Å; E190-F194 PolarHBondContact O-N 3.42Å; L191-F194 PolarHBondContact O-N 3.07Å; E192-F194 VanDerWaalsContact C-N 3.29Å; E192-F194 PolarHBondContact O-N 3.34Å; F194-K196 VanDerWaalsContact C-N 3.33Å; F194-K196 PolarHBondContact O-N 2.91Å; F194-T197 PolarHBondContact O-N 2.97Å; F194-F198 HydrophobicContact CD1-CB 4.42Å; F194-F198 HydrophobicContact CE1-CB 4.01Å; F194-F198 HydrophobicContact CE1-CD2 4.25Å; F194-F198 HydrophobicContact CE1-CG 4.32Å; F194-F198 HydrophobicContact CZ-CB 4.21Å; F194-F198 HydrophobicContact CZ-CD2 4.05Å; F194-F198 HydrophobicContact CZ-CG 4.48Å; F194-F198 VanDerWaalsContact O-CB 3.23Å; F194-F198 WeakPolarHBondContact O-CB 3.46Å; F194-F198 PolarHBondContact O-N 3.39Å; F194-F232 AromaticContact CD1-CE1 3.68Å; F194-F232 HydrophobicContact CD1-CE1 3.68Å; F194-F232 AromaticContact CD1-CZ 3.59Å; F194-F232 HydrophobicContact CD1-CZ 3.59Å; F194-F232 AromaticContact CE1-CE1 3.55Å; F194-F232 HydrophobicContact CE1-CE1 3.55Å; F194-F232 AromaticContact CE1-CZ 3.54Å; F194-F232 HydrophobicContact CE1-CZ 3.54Å; F194-K246 HydrophobicContact CD1-CB 4.49Å; F194-K246 HydrophobicContact CD1-CG 3.87Å; F194-K246 HydrophobicContact CD2-CG 4.19Å; F194-K246 HydrophobicContact CE1-CG 4.02Å; F194-K246 HydrophobicContact CE2-CG 4.35Å; F194-K246 HydrophobicContact CG-CD 4.3Å; F194-K246 HydrophobicContact CG-CG 3.96Å; F194-K246 HydrophobicContact CZ-CG 4.27Å; F194-L249 HydrophobicContact CE1-CB 4.33Å; F194-L249 HydrophobicContact CZ-CB 4.31Å; F194-E250 HydrophobicContact CE2-CB 3.55Å; F194-E250 HydrophobicContact CE2-CG 3.82Å; F194-E250 HydrophobicContact CZ-CB 3.67Å; F194-E250 HydrophobicContact CZ-CG 4.44Å |
| 195 | A | 97.4 | Very high | 92.5 | Very high | 1 Ų | 1 | 74 Ų | 74 | 1% | 0.008 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -61.7 | -39.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | L191 E192 K199 F232 L235 | L191-A195 WeakPolarHBondContact O-CB 3.33Å; L191-A195 PolarHBondContact O-N 2.81Å; E192-A195 PolarHBondContact O-N 3.49Å; A195-K199 WeakPolarHBondContact O-CB 3.37Å; A195-K199 PolarHBondContact O-N 2.88Å; A195-K199 VanDerWaalsContact O-N 3.1Å; A195-F232 HydrophobicContact CB-CE1 4.24Å; A195-L235 HydrophobicContact CB-CD2 3.63Å |
| 196 | K | 96.8 | Very high | 94.2 | Very high | 130 Ų | 130 | 74.9 Ų | 74.9 | 57% | 0.565 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.2 | -50.4 | 172.5 | -74 | 168.4 | 169.2 | 172 | 0 | 111.5 | E192 F194 K199 Q200 | E192-K196 HydrophobicContact CG-CD 4.04Å; E192-K196 WeakPolarHBondContact O-CB 3.29Å; E192-K196 WeakPolarHBondContact O-CG 3.43Å; E192-K196 PolarHBondContact O-N 3.13Å; E192-K196 VanDerWaalsContact OE1-CE 3.24Å; E192-K196 WeakPolarHBondContact OE1-CE 3.36Å; E192-K196 IonicContact OE1-NZ 2.88Å; E192-K196 PolarHBondContact OE1-NZ 3Å; F194-K196 VanDerWaalsContact C-N 3.33Å; F194-K196 PolarHBondContact O-N 2.91Å; K196-K199 PolarHBondContact O-N 3.27Å; K196-Q200 PolarHBondContact O-N 2.9Å |
| 197 | T | 96.8 | Very high | 94.9 | Very high | 51 Ų | 51 | 74.6 Ų | 74.6 | 31% | 0.313 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -63.4 | -44.7 | -178.8 | -58.7 | 0 | 0 | 0 | 0 | 111.9 | K193 F194 Q200 R201 | K193-T197 VanDerWaalsContact O-CB 3.27Å; K193-T197 WeakPolarHBondContact O-CB 3.22Å; K193-T197 PolarHBondContact O-N 3.46Å; K193-T197 PolarHBondContact O-OG1 2.98Å; F194-T197 PolarHBondContact O-N 2.97Å; T197-Q200 PolarHBondContact O-N 3.42Å; T197-R201 HydrophobicContact CG2-CG 4.42Å; T197-R201 WeakPolarHBondContact O-CB 3.31Å; T197-R201 WeakPolarHBondContact O-CG 3.34Å; T197-R201 PolarHBondContact O-N 3.32Å |
| 198 | F | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -55.9 | -53 | 174.1 | 177.6 | -88.5 | 0 | 0 | 0 | 110.9 | F194 Q200 R201 R202 V212 I229 E233 L249 W252 L253 | F194-F198 HydrophobicContact CD1-CB 4.42Å; F194-F198 HydrophobicContact CE1-CB 4.01Å; F194-F198 HydrophobicContact CE1-CD2 4.25Å; F194-F198 HydrophobicContact CE1-CG 4.32Å; F194-F198 HydrophobicContact CZ-CB 4.21Å; F194-F198 HydrophobicContact CZ-CD2 4.05Å; F194-F198 HydrophobicContact CZ-CG 4.48Å; F194-F198 VanDerWaalsContact O-CB 3.23Å; F194-F198 WeakPolarHBondContact O-CB 3.46Å; F194-F198 PolarHBondContact O-N 3.39Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-Q200 PolarHBondContact O-N 3.05Å; F198-R201 PolarHBondContact O-N 2.88Å; F198-R202 HydrophobicContact CE1-CB 4.41Å; F198-R202 HydrophobicContact CE1-CG 4.41Å; F198-R202 WeakPolarHBondContact O-CB 3.42Å; F198-R202 PolarHBondContact O-N 2.65Å; F198-V212 HydrophobicContact CZ-CG1 4.01Å; F198-V212 HydrophobicContact CZ-CG2 4.45Å; F198-I229 HydrophobicContact CE1-CG2 4.05Å; F198-E233 HydrophobicContact CD1-CG 4.13Å; F198-E233 HydrophobicContact CE1-CG 4.41Å; F198-L249 HydrophobicContact CD2-CB 4.01Å; F198-L249 HydrophobicContact CE2-CB 3.67Å; F198-L249 HydrophobicContact CE2-CD2 4.19Å; F198-L249 HydrophobicContact CE2-CG 4.37Å; F198-L249 HydrophobicContact CZ-CB 4.28Å; F198-L249 HydrophobicContact CZ-CD2 4Å; F198-L249 HydrophobicContact CZ-CG 4.49Å; F198-W252 AromaticContact CE2-CE3 3.81Å; F198-W252 HydrophobicContact CE2-CE3 3.81Å; F198-W252 AromaticContact CE2-CZ3 3.87Å; F198-W252 HydrophobicContact CE2-CZ3 3.87Å; F198-W252 HydrophobicContact CZ-CE3 4.13Å; F198-W252 AromaticContact CZ-CZ3 3.94Å; F198-W252 HydrophobicContact CZ-CZ3 3.94Å; F198-L253 HydrophobicContact CB-CD2 4.49Å; F198-L253 HydrophobicContact CD2-CB 4.29Å; F198-L253 HydrophobicContact CD2-CD1 4.14Å; F198-L253 HydrophobicContact CD2-CD2 3.97Å; F198-L253 HydrophobicContact CD2-CG 4.39Å; F198-L253 HydrophobicContact CE2-CB 4.36Å; F198-L253 HydrophobicContact CE2-CD1 4.18Å |
| 199 | K | 97.4 | Very high | 95.8 | Very high | 96 Ų | 96 | 69.8 Ų | 69.8 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -57.5 | -44.3 | 178.5 | -176.3 | -178.3 | -178 | -176.4 | 0 | 111.9 | A195 K196 I203 E233 | A195-K199 WeakPolarHBondContact O-CB 3.37Å; A195-K199 PolarHBondContact O-N 2.88Å; A195-K199 VanDerWaalsContact O-N 3.1Å; K196-K199 PolarHBondContact O-N 3.27Å; K199-I203 HydrophobicContact CG-CD1 3.99Å; K199-I203 WeakPolarHBondContact O-CD1 3.41Å; K199-I203 VanDerWaalsContact O-CG1 3.24Å; K199-I203 WeakPolarHBondContact O-CG1 3.24Å; K199-I203 PolarHBondContact O-N 2.84Å; K199-I203 VanDerWaalsContact O-N 3.09Å; K199-E233 HydrophobicContact CB-CB 4.49Å; K199-E233 HydrophobicContact CB-CG 4.04Å; K199-E233 HydrophobicContact CD-CB 4.34Å; K199-E233 HydrophobicContact CG-CG 4.33Å |
| 200 | Q | 97.1 | Very high | 95.9 | Very high | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.654 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -64.6 | -50.8 | -180 | -174 | -179 | 6.8 | 0 | 0 | 112 | K196 T197 F198 I203 K204 | K196-Q200 PolarHBondContact O-N 2.9Å; T197-Q200 PolarHBondContact O-N 3.42Å; F198-Q200 VanDerWaalsContact C-N 3.32Å; F198-Q200 PolarHBondContact O-N 3.05Å; Q200-I203 PolarHBondContact O-N 2.99Å; Q200-K204 WeakPolarHBondContact O-CB 3.46Å; Q200-K204 PolarHBondContact O-N 3.17Å |
| 201 | R | 96.6 | Very high | 95.9 | Very high | 93 Ų | 93 | 65.6 Ų | 65.6 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -64 | -42.1 | 179.1 | -70.2 | 168.9 | 175 | -157.4 | 13.6 | 111.7 | T197 F198 I203 K204 L205 L253 E257 | T197-R201 HydrophobicContact CG2-CG 4.42Å; T197-R201 WeakPolarHBondContact O-CB 3.31Å; T197-R201 WeakPolarHBondContact O-CG 3.34Å; T197-R201 PolarHBondContact O-N 3.32Å; F198-R201 PolarHBondContact O-N 2.88Å; R201-I203 VanDerWaalsContact C-N 3.32Å; R201-I203 PolarHBondContact O-N 3.39Å; R201-K204 WeakPolarHBondContact O-CB 3.2Å; R201-K204 PolarHBondContact O-N 3.01Å; R201-K204 VanDerWaalsContact O-N 3.13Å; R201-L205 WeakPolarHBondContact O-CG 3.36Å; R201-L205 PolarHBondContact O-N 2.89Å; R201-L253 HydrophobicContact CB-CD1 3.89Å; R201-L253 HydrophobicContact CB-CD2 4.05Å; R201-L253 HydrophobicContact CB-CG 4.3Å; R201-L253 HydrophobicContact CG-CD2 4.46Å; R201-E257 WeakPolarHBondContact CD-OE1 3.18Å; R201-E257 WeakPolarHBondContact CD-OE2 3.38Å; R201-E257 WeakPolarHBondContact CG-OE1 3.46Å; R201-E257 IonicContact CZ-OE1 2.69Å; R201-E257 IonicContact CZ-OE2 3.76Å; R201-E257 IonicContact NE-OE1 2.68Å; R201-E257 IonicContact NE-OE2 2.64Å; R201-E257 IonicContact NH1-OE1 3.53Å; R201-E257 IonicContact NH1-OE2 2.63Å; R201-E257 PolarHBondContact NH1-OE2 3.3Å |
| 202 | R | 96.6 | Very high | 95.9 | Very high | 24 Ų | 24 | 65.4 Ų | 65.4 | 9% | 0.091 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -57 | -42 | 174.5 | -166.4 | -140.6 | 84.1 | -141.6 | -0.4 | 112.4 | F198 G206 F207 V212 E233 W252 | F198-R202 HydrophobicContact CE1-CB 4.41Å; F198-R202 HydrophobicContact CE1-CG 4.41Å; F198-R202 WeakPolarHBondContact O-CB 3.42Å; F198-R202 PolarHBondContact O-N 2.65Å; R202-G206 PolarHBondContact O-N 3.07Å; R202-F207 HydrophobicContact CG-CB 4.08Å; R202-F207 PolarHBondContact NE-O 2.94Å; R202-F207 PolarHBondContact NH2-O 3.28Å; R202-F207 PolarHBondContact O-N 2.99Å; R202-F207 VanDerWaalsContact O-N 3.1Å; R202-V212 HydrophobicContact CG-CG2 3.57Å; R202-E233 WeakPolarHBondContact CD-OE1 3.45Å; R202-E233 IonicContact CZ-OE1 3.24Å; R202-E233 IonicContact NE-OE1 2.69Å; R202-E233 IonicContact NH1-OE1 3.68Å; R202-E233 PolarHBondContact NH1-OE1 2.81Å; R202-E233 IonicContact NH1-OE2 2.71Å; R202-E233 PolarHBondContact NH1-OE2 3.03Å; R202-W252 HydrophobicContact CG-CH2 4.27Å; R202-W252 HydrophobicContact CG-CZ3 4.37Å |
| 203 | I | 95.9 | Very high | 95.8 | Very high | 95 Ų | 95 | 62 Ų | 62 | 49% | 0.487 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -70.3 | -41.8 | 174.7 | -68.3 | 166.1 | 0 | 0 | 0 | 111.2 | K199 Q200 R201 L205 G206 | K199-I203 HydrophobicContact CG-CD1 3.99Å; K199-I203 WeakPolarHBondContact O-CD1 3.41Å; K199-I203 VanDerWaalsContact O-CG1 3.24Å; K199-I203 WeakPolarHBondContact O-CG1 3.24Å; K199-I203 PolarHBondContact O-N 2.84Å; K199-I203 VanDerWaalsContact O-N 3.09Å; Q200-I203 PolarHBondContact O-N 2.99Å; R201-I203 VanDerWaalsContact C-N 3.32Å; R201-I203 PolarHBondContact O-N 3.39Å; I203-L205 VanDerWaalsContact C-N 3.27Å; I203-L205 PolarHBondContact O-N 3.12Å; I203-G206 PolarHBondContact O-N 3.4Å |
| 204 | K | 96.1 | Very high | 95.6 | Very high | 180 Ų | 180 | 61.5 Ų | 61.5 | 78% | 0.783 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -59.8 | -35.7 | 177.4 | -172.5 | -172.8 | 175.9 | -168.4 | 0 | 112.5 | Q200 R201 G206 | Q200-K204 WeakPolarHBondContact O-CB 3.46Å; Q200-K204 PolarHBondContact O-N 3.17Å; R201-K204 WeakPolarHBondContact O-CB 3.2Å; R201-K204 PolarHBondContact O-N 3.01Å; R201-K204 VanDerWaalsContact O-N 3.13Å; K204-G206 VanDerWaalsContact C-N 3.26Å; K204-G206 PolarHBondContact O-N 2.88Å |
| 205 | L | 94.2 | Very high | 95.3 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 28% | 0.277 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 4.4 | 174.1 | -65.8 | 172.6 | 0 | 0 | 0 | 113.8 | R201 I203 F207 A256 E257 | R201-L205 WeakPolarHBondContact O-CG 3.36Å; R201-L205 PolarHBondContact O-N 2.89Å; I203-L205 VanDerWaalsContact C-N 3.27Å; I203-L205 PolarHBondContact O-N 3.12Å; L205-F207 HydrophobicContact CB-CD2 3.59Å; L205-F207 HydrophobicContact CB-CE2 3.85Å; L205-F207 HydrophobicContact CD1-CD2 4.27Å; L205-F207 HydrophobicContact CD1-CE2 4.21Å; L205-F207 PolarHBondContact O-N 3.3Å; L205-A256 HydrophobicContact CD1-CB 4.01Å; L205-E257 HydrophobicContact CD1-CG 3.83Å |
| 206 | G | 94.4 | Very high | 94.9 | Very high | 63 Ų | 63 | 62.2 Ų | 62.2 | 65% | 0.649 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.7 | -4.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | R202 I203 K204 | R202-G206 PolarHBondContact O-N 3.07Å; I203-G206 PolarHBondContact O-N 3.4Å; K204-G206 VanDerWaalsContact C-N 3.26Å; K204-G206 PolarHBondContact O-N 2.88Å |
| 207 | F | 95.2 | Very high | 94.5 | Very high | 77 Ų | 77 | 56.4 Ų | 56.4 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | trans | -70.3 | 135.2 | -176.5 | -68.5 | -66 | 0 | 0 | 0 | 112.8 | R202 L205 D211 V212 W252 A256 | R202-F207 HydrophobicContact CG-CB 4.08Å; R202-F207 PolarHBondContact NE-O 2.94Å; R202-F207 PolarHBondContact NH2-O 3.28Å; R202-F207 PolarHBondContact O-N 2.99Å; R202-F207 VanDerWaalsContact O-N 3.1Å; L205-F207 HydrophobicContact CB-CD2 3.59Å; L205-F207 HydrophobicContact CB-CE2 3.85Å; L205-F207 HydrophobicContact CD1-CD2 4.27Å; L205-F207 HydrophobicContact CD1-CE2 4.21Å; L205-F207 PolarHBondContact O-N 3.3Å; F207-D211 HydrophobicContact CD1-CB 4.02Å; F207-V212 HydrophobicContact CB-CG2 4.4Å; F207-W252 HydrophobicContact CB-CH2 4.34Å; F207-W252 AromaticContact CD2-CH2 3.73Å; F207-W252 HydrophobicContact CD2-CH2 3.73Å; F207-W252 AromaticContact CD2-CZ2 3.88Å; F207-W252 HydrophobicContact CD2-CZ2 3.88Å; F207-W252 HydrophobicContact CE2-CH2 4.29Å; F207-W252 HydrophobicContact CE2-CZ2 4.11Å; F207-W252 HydrophobicContact CG-CH2 4.13Å; F207-W252 HydrophobicContact CG-CZ2 4.15Å; F207-A256 HydrophobicContact CE2-CB 4.18Å | ||
| 208 | T | 96.5 | Very high | 93.9 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 46% | 0.46 | 33% | 0.325 | S | S | . | . | trans | -80.2 | 162.1 | 166.6 | 79.7 | 0 | 0 | 0 | 0 | 111 | G210 D211 V212 | T208-G210 PolarHBondContact O-N 3.1Å; T208-G210 VanDerWaalsContact O-N 3.16Å; T208-G210 PolarHBondContact OG1-N 3.31Å; T208-G210 VanDerWaalsContact OG1-N 3.13Å; T208-D211 WeakPolarHBondContact CA-OD2 3.49Å; T208-D211 WeakPolarHBondContact CB-OD2 3.38Å; T208-D211 VanDerWaalsContact CG2-OD2 3.31Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.43Å; T208-D211 PolarHBondContact N-OD2 3.45Å; T208-D211 PolarHBondContact O-N 2.65Å; T208-D211 VanDerWaalsContact O-N 3.13Å; T208-D211 PolarHBondContact OG1-N 2.78Å; T208-D211 PolarHBondContact OG1-OD2 2.78Å; T208-V212 PolarHBondContact O-N 3.17Å | ||
| 209 | Q | 95.5 | Very high | 93.2 | Very high | 38 Ų | 38 | 67.4 Ų | 67.4 | 18% | 0.178 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -60.5 | -19.4 | 170.7 | -67.8 | 172.3 | -16.6 | 0 | 0 | 113.2 | Q226 I229 E233 | Q209-Q226 HydrophobicContact CB-CG 3.85Å; Q209-I229 HydrophobicContact CB-CB 4.16Å; Q209-I229 HydrophobicContact CB-CG2 4.19Å; Q209-I229 HydrophobicContact CG-CB 4.38Å; Q209-I229 HydrophobicContact CG-CG2 4.02Å; Q209-E233 PolarHBondContact NE2-OE2 2.79Å |
| 210 | G | 93.4 | Very high | 92.6 | Very high | 21 Ų | 21 | 66.7 Ų | 66.7 | 22% | 0.216 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -72.3 | -48.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | T208 G213 L214 | T208-G210 PolarHBondContact O-N 3.1Å; T208-G210 VanDerWaalsContact O-N 3.16Å; T208-G210 PolarHBondContact OG1-N 3.31Å; T208-G210 VanDerWaalsContact OG1-N 3.13Å; G210-G213 CarbonylContact O-C 3.55Å; G210-G213 VanDerWaalsContact O-CA 3.29Å; G210-G213 WeakPolarHBondContact O-CA 3.4Å; G210-G213 PolarHBondContact O-N 3.23Å; G210-L214 VanDerWaalsContact O-CD1 3.22Å; G210-L214 WeakPolarHBondContact O-CD1 3.47Å; G210-L214 PolarHBondContact O-N 2.91Å |
| 211 | D | 93.7 | Very high | 91.7 | Very high | 48 Ų | 48 | 63.6 Ų | 63.6 | 26% | 0.257 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -65.5 | -43.1 | -174.2 | -48.2 | -49.7 | 0 | 0 | 0 | 111.8 | F207 T208 G213 L214 A215 | F207-D211 HydrophobicContact CD1-CB 4.02Å; T208-D211 WeakPolarHBondContact CA-OD2 3.49Å; T208-D211 WeakPolarHBondContact CB-OD2 3.38Å; T208-D211 VanDerWaalsContact CG2-OD2 3.31Å; T208-D211 WeakPolarHBondContact CG2-OD2 3.43Å; T208-D211 PolarHBondContact N-OD2 3.45Å; T208-D211 PolarHBondContact O-N 2.65Å; T208-D211 VanDerWaalsContact O-N 3.13Å; T208-D211 PolarHBondContact OG1-N 2.78Å; T208-D211 PolarHBondContact OG1-OD2 2.78Å; D211-G213 PolarHBondContact O-N 3Å; D211-L214 PolarHBondContact O-N 3.02Å; D211-A215 WeakPolarHBondContact O-CB 3.43Å; D211-A215 PolarHBondContact O-N 3.39Å |
| 212 | V | 94.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -51.3 | -50.2 | 167.4 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | F198 R202 F207 T208 L214 A215 M216 I229 L249 W252 | F198-V212 HydrophobicContact CZ-CG1 4.01Å; F198-V212 HydrophobicContact CZ-CG2 4.45Å; R202-V212 HydrophobicContact CG-CG2 3.57Å; F207-V212 HydrophobicContact CB-CG2 4.4Å; T208-V212 PolarHBondContact O-N 3.17Å; V212-L214 VanDerWaalsContact C-N 3.25Å; V212-L214 PolarHBondContact O-N 3.34Å; V212-A215 PolarHBondContact O-N 2.99Å; V212-M216 HydrophobicContact CG1-CG 4.02Å; V212-M216 VanDerWaalsContact O-CB 3.29Å; V212-M216 WeakPolarHBondContact O-CB 3.48Å; V212-M216 WeakPolarHBondContact O-CG 3.38Å; V212-M216 PolarHBondContact O-N 2.86Å; V212-I229 HydrophobicContact CB-CD1 4.49Å; V212-I229 HydrophobicContact CB-CG1 4.31Å; V212-I229 HydrophobicContact CG1-CD1 3.78Å; V212-I229 HydrophobicContact CG1-CG1 4.13Å; V212-I229 HydrophobicContact CG1-CG2 4.42Å; V212-L249 HydrophobicContact CG1-CD2 4.07Å; V212-W252 HydrophobicContact CB-CH2 4.47Å; V212-W252 HydrophobicContact CG1-CD2 4.35Å; V212-W252 HydrophobicContact CG1-CE3 4.19Å; V212-W252 HydrophobicContact CG1-CZ3 4.27Å; V212-W252 HydrophobicContact CG2-CH2 3.56Å; V212-W252 HydrophobicContact CG2-CZ2 3.97Å; V212-W252 HydrophobicContact CG2-CZ3 3.87Å |
| 213 | G | 93.5 | Very high | 90.6 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -58.7 | -32.8 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | G210 D211 D223 F224 | G210-G213 CarbonylContact O-C 3.55Å; G210-G213 VanDerWaalsContact O-CA 3.29Å; G210-G213 WeakPolarHBondContact O-CA 3.4Å; G210-G213 PolarHBondContact O-N 3.23Å; D211-G213 PolarHBondContact O-N 3Å; G213-D223 CarbonylContact O-C 3.44Å; G213-D223 WeakPolarHBondContact O-CA 3.47Å; G213-D223 WeakPolarHBondContact O-CB 3.39Å; G213-F224 CarbonylContact C-O 3.36Å; G213-F224 WeakPolarHBondContact CA-O 3.44Å; G213-F224 PolarHBondContact O-N 3.12Å |
| 214 | L | 90.8 | Very high | 90.4 | Very high | 88 Ų | 88 | 61.5 Ų | 61.5 | 46% | 0.461 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -82.9 | -44.8 | 175.4 | -86.3 | 70.4 | 0 | 0 | 0 | 111.9 | G210 D211 V212 M216 G217 K218 | G210-L214 VanDerWaalsContact O-CD1 3.22Å; G210-L214 WeakPolarHBondContact O-CD1 3.47Å; G210-L214 PolarHBondContact O-N 2.91Å; D211-L214 PolarHBondContact O-N 3.02Å; V212-L214 VanDerWaalsContact C-N 3.25Å; V212-L214 PolarHBondContact O-N 3.34Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-M216 PolarHBondContact O-N 3.29Å; L214-G217 WeakPolarHBondContact O-CA 3.19Å; L214-G217 PolarHBondContact O-N 2.85Å; L214-K218 PolarHBondContact O-N 3.13Å |
| 215 | A | 91 | Very high | 90.1 | Very high | 34 Ų | 34 | 54.8 Ų | 54.8 | 28% | 0.281 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -40.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D211 V212 G217 K218 L219 | D211-A215 WeakPolarHBondContact O-CB 3.43Å; D211-A215 PolarHBondContact O-N 3.39Å; V212-A215 PolarHBondContact O-N 2.99Å; A215-G217 PolarHBondContact O-N 3.5Å; A215-K218 WeakPolarHBondContact O-CB 3.49Å; A215-K218 PolarHBondContact O-N 3.18Å; A215-K218 VanDerWaalsContact O-N 3.15Å; A215-L219 PolarHBondContact O-N 3.2Å; A215-L219 VanDerWaalsContact O-N 3.13Å |
| 216 | M | 89.8 | Confident | 90.1 | Very high | 0 Ų | 0 | 56.4 Ų | 56.4 | 0% | 0 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -59 | -34.3 | 170.6 | -70.8 | -59.6 | -66.8 | 0 | 0 | 112.8 | V212 L214 L219 Y220 F224 L248 L249 W252 | V212-M216 HydrophobicContact CG1-CG 4.02Å; V212-M216 VanDerWaalsContact O-CB 3.29Å; V212-M216 WeakPolarHBondContact O-CB 3.48Å; V212-M216 WeakPolarHBondContact O-CG 3.38Å; V212-M216 PolarHBondContact O-N 2.86Å; L214-M216 VanDerWaalsContact C-N 3.31Å; L214-M216 PolarHBondContact O-N 3.29Å; M216-L219 PolarHBondContact O-N 3.16Å; M216-Y220 HydrophobicContact CE-CD2 3.39Å; M216-Y220 HydrophobicContact CE-CE2 3.37Å; M216-Y220 HydrophobicContact CE-CG 4.36Å; M216-Y220 WeakPolarHBondContact O-CB 3.49Å; M216-Y220 PolarHBondContact O-N 3.45Å; M216-Y220 HydrophobicContact SD-CD2 4.02Å; M216-Y220 HydrophobicContact SD-CE2 3.83Å; M216-F224 HydrophobicContact CB-CD2 3.74Å; M216-F224 HydrophobicContact CB-CE2 4.36Å; M216-F224 HydrophobicContact CE-CD2 4.06Å; M216-F224 HydrophobicContact CE-CE2 3.73Å; M216-F224 HydrophobicContact CG-CD2 4.04Å; M216-L248 HydrophobicContact CE-CB 3.57Å; M216-L248 WeakPolarHBondContact CE-O 3.36Å; M216-L249 HydrophobicContact CE-CD2 4.3Å; M216-L249 HydrophobicContact CG-CD2 4.3Å; M216-L249 HydrophobicContact SD-CD2 4.3Å; M216-W252 HydrophobicContact CG-CG 4.47Å; M216-W252 HydrophobicContact SD-CB 3.32Å; M216-W252 WeakPolarHBondContact SD-CB 3.18Å; M216-W252 HydrophobicContact SD-CD2 4.49Å; M216-W252 HydrophobicContact SD-CG 3.61Å |
| 217 | G | 88.4 | Confident | 90.1 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 8% | 0.082 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -38.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | L214 A215 G221 | L214-G217 WeakPolarHBondContact O-CA 3.19Å; L214-G217 PolarHBondContact O-N 2.85Å; A215-G217 PolarHBondContact O-N 3.5Å; G217-G221 VanDerWaalsContact O-CA 3.31Å; G217-G221 WeakPolarHBondContact O-CA 3.13Å; G217-G221 PolarHBondContact O-N 3.45Å |
| 218 | K | 84.3 | Confident | 90.2 | Very high | 192 Ų | 192 | 54.8 Ų | 54.8 | 84% | 0.835 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -65.9 | -39.3 | 174.3 | -172.6 | -177.4 | 176.8 | -173.8 | 0 | 112.5 | L214 A215 | L214-K218 PolarHBondContact O-N 3.13Å; A215-K218 WeakPolarHBondContact O-CB 3.49Å; A215-K218 PolarHBondContact O-N 3.18Å; A215-K218 VanDerWaalsContact O-N 3.15Å |
| 219 | L | 81.3 | Confident | 90.1 | Very high | 90 Ų | 90 | 51.2 Ų | 51.2 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -81.6 | -37 | -178 | -67.3 | -180 | 0 | 0 | 0 | 114.1 | A215 M216 W252 | A215-L219 PolarHBondContact O-N 3.2Å; A215-L219 VanDerWaalsContact O-N 3.13Å; M216-L219 PolarHBondContact O-N 3.16Å; L219-W252 HydrophobicContact CD1-CB 4.39Å |
| 220 | Y | 84.8 | Confident | 90.2 | Very high | 82 Ų | 82 | 51.3 Ų | 51.3 | 32% | 0.322 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -119.6 | 9.8 | -170 | -59.7 | -84.8 | 0 | 0 | 0 | 114.1 | M216 N222 L248 K251 | M216-Y220 HydrophobicContact CE-CD2 3.39Å; M216-Y220 HydrophobicContact CE-CE2 3.37Å; M216-Y220 HydrophobicContact CE-CG 4.36Å; M216-Y220 WeakPolarHBondContact O-CB 3.49Å; M216-Y220 PolarHBondContact O-N 3.45Å; M216-Y220 HydrophobicContact SD-CD2 4.02Å; M216-Y220 HydrophobicContact SD-CE2 3.83Å; Y220-N222 PolarHBondContact O-N 2.93Å; Y220-N222 VanDerWaalsContact O-N 3.15Å; Y220-L248 HydrophobicContact CD1-CD2 3.85Å; Y220-L248 HydrophobicContact CE1-CD2 3.6Å; Y220-L248 PolarHBondContact OH-O 2.77Å; Y220-K251 WeakPolarHBondContact OH-CB 3.22Å; Y220-K251 WeakPolarHBondContact OH-CG 3.31Å |
| 221 | G | 80.1 | Confident | 90.4 | Very high | 74 Ų | 74 | 56.3 Ų | 56.3 | 76% | 0.763 | 31% | 0.306 | S | S | * | . | S | Bend | trans | 73.4 | -0.1 | 173.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | G217 | G217-G221 VanDerWaalsContact O-CA 3.31Å; G217-G221 WeakPolarHBondContact O-CA 3.13Å; G217-G221 PolarHBondContact O-N 3.45Å |
| 222 | N | 84.1 | Confident | 90.6 | Very high | 95 Ų | 95 | 54 Ų | 54 | 51% | 0.508 | 29% | 0.294 | S | S | . | . | S | Bend | trans | -143.9 | 115 | 176.7 | 170.4 | 90.5 | 0 | 0 | 0 | 110.8 | Y220 F224 | Y220-N222 PolarHBondContact O-N 2.93Å; Y220-N222 VanDerWaalsContact O-N 3.15Å; N222-F224 PolarHBondContact O-N 2.95Å |
| 223 | D | 85.6 | Confident | 90.7 | Very high | 39 Ų | 39 | 54.9 Ų | 54.9 | 21% | 0.209 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -69.9 | 127 | -176.2 | -29.1 | -95.8 | 0 | 0 | 0 | 111.5 | G213 R282 | G213-D223 CarbonylContact O-C 3.44Å; G213-D223 WeakPolarHBondContact O-CA 3.47Å; G213-D223 WeakPolarHBondContact O-CB 3.39Å; D223-R282 HydrophobicContact CB-CB 4.36Å; D223-R282 HydrophobicContact CB-CG 4.38Å; D223-R282 PolarHBondContact O-NE 3.35Å; D223-R282 PolarHBondContact O-NH2 2.93Å; D223-R282 WeakPolarHBondContact OD2-CB 3.27Å |
| 224 | F | 91.2 | Very high | 90.9 | Very high | 35 Ų | 35 | 57.3 Ų | 57.3 | 15% | 0.154 | 32% | 0.318 | C | S | . | . | P | Polyproline II helix | trans | -80.3 | 137.8 | 174.3 | -70.8 | -55.4 | 0 | 0 | 0 | 111.7 | G213 M216 N222 T228 I229 L245 L248 R282 | G213-F224 CarbonylContact C-O 3.36Å; G213-F224 WeakPolarHBondContact CA-O 3.44Å; G213-F224 PolarHBondContact O-N 3.12Å; M216-F224 HydrophobicContact CB-CD2 3.74Å; M216-F224 HydrophobicContact CB-CE2 4.36Å; M216-F224 HydrophobicContact CE-CD2 4.06Å; M216-F224 HydrophobicContact CE-CE2 3.73Å; M216-F224 HydrophobicContact CG-CD2 4.04Å; N222-F224 PolarHBondContact O-N 2.95Å; F224-T228 HydrophobicContact CB-CG2 4.29Å; F224-T228 HydrophobicContact CD1-CG2 3.97Å; F224-T228 HydrophobicContact CG-CG2 4.32Å; F224-I229 HydrophobicContact CB-CD1 4.01Å; F224-L245 HydrophobicContact CD1-CD2 4.28Å; F224-L245 HydrophobicContact CD2-CD2 4.49Å; F224-L245 HydrophobicContact CE1-CD2 3.71Å; F224-L245 HydrophobicContact CE2-CD2 3.94Å; F224-L245 HydrophobicContact CZ-CD2 3.52Å; F224-L248 HydrophobicContact CE2-CD1 4.24Å; F224-L248 HydrophobicContact CZ-CD1 4.02Å; F224-R282 PolarHBondContact O-NH2 3.12Å |
| 225 | S | 90.2 | Very high | 91.1 | Very high | 39 Ų | 39 | 56 Ų | 56 | 27% | 0.273 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -69.6 | 152.5 | 178.4 | 73.5 | 0 | 0 | 0 | 0 | 111.2 | T227 T228 I229 | S225-T227 PolarHBondContact O-N 2.77Å; S225-T227 VanDerWaalsContact O-N 3.12Å; S225-T227 PolarHBondContact OG-N 3.02Å; S225-T228 PolarHBondContact N-OG1 2.87Å; S225-T228 WeakPolarHBondContact O-CA 3.18Å; S225-T228 WeakPolarHBondContact O-CB 3.22Å; S225-T228 PolarHBondContact O-N 2.95Å; S225-T228 PolarHBondContact O-OG1 3.46Å; S225-T228 PolarHBondContact OG-N 2.69Å; S225-T228 PolarHBondContact OG-OG1 3.23Å; S225-I229 PolarHBondContact O-N 3.09Å |
| 226 | Q | 93.8 | Very high | 91.3 | Very high | 87 Ų | 87 | 59.4 Ų | 59.4 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -47.8 | -40.9 | 168.5 | 169.9 | -78.7 | -23.1 | 0 | 0 | 110.9 | Q209 T228 I229 S230 | Q209-Q226 HydrophobicContact CB-CG 3.85Å; Q226-T228 VanDerWaalsContact C-N 3.27Å; Q226-T228 PolarHBondContact O-N 3.32Å; Q226-I229 PolarHBondContact O-N 3.33Å; Q226-S230 WeakPolarHBondContact O-CB 3.34Å; Q226-S230 PolarHBondContact O-N 2.84Å |
| 227 | T | 95.4 | Very high | 91.5 | Very high | 70 Ų | 70 | 61.4 Ų | 61.4 | 43% | 0.429 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -68.1 | -24.8 | 179.4 | -47.8 | 0 | 0 | 0 | 0 | 112.7 | S225 R231 | S225-T227 PolarHBondContact O-N 2.77Å; S225-T227 VanDerWaalsContact O-N 3.12Å; S225-T227 PolarHBondContact OG-N 3.02Å; T227-R231 HydrophobicContact CG2-CG 4.49Å; T227-R231 VanDerWaalsContact O-CB 3.3Å; T227-R231 WeakPolarHBondContact O-CB 3.46Å; T227-R231 WeakPolarHBondContact O-CD 3.26Å; T227-R231 WeakPolarHBondContact O-CG 3.43Å; T227-R231 PolarHBondContact O-N 2.86Å; T227-R231 VanDerWaalsContact O-N 3.1Å |
| 228 | T | 95.6 | Very high | 91.8 | Very high | 36 Ų | 36 | 64.5 Ų | 64.5 | 22% | 0.221 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -69 | -50.5 | 171.4 | -51.9 | 0 | 0 | 0 | 0 | 110.1 | F224 S225 Q226 R231 F232 L245 | F224-T228 HydrophobicContact CB-CG2 4.29Å; F224-T228 HydrophobicContact CD1-CG2 3.97Å; F224-T228 HydrophobicContact CG-CG2 4.32Å; S225-T228 PolarHBondContact N-OG1 2.87Å; S225-T228 WeakPolarHBondContact O-CA 3.18Å; S225-T228 WeakPolarHBondContact O-CB 3.22Å; S225-T228 PolarHBondContact O-N 2.95Å; S225-T228 PolarHBondContact O-OG1 3.46Å; S225-T228 PolarHBondContact OG-N 2.69Å; S225-T228 PolarHBondContact OG-OG1 3.23Å; Q226-T228 VanDerWaalsContact C-N 3.27Å; Q226-T228 PolarHBondContact O-N 3.32Å; T228-R231 PolarHBondContact O-N 3.37Å; T228-F232 PolarHBondContact O-N 3.22Å; T228-L245 HydrophobicContact CG2-CD1 3.98Å |
| 229 | I | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 59.9 Ų | 59.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.6 | -46.1 | 179 | -49.5 | -55 | 0 | 0 | 0 | 110.3 | F198 Q209 V212 F224 S225 Q226 R231 F232 E233 L249 | F198-I229 HydrophobicContact CE1-CG2 4.05Å; Q209-I229 HydrophobicContact CB-CB 4.16Å; Q209-I229 HydrophobicContact CB-CG2 4.19Å; Q209-I229 HydrophobicContact CG-CB 4.38Å; Q209-I229 HydrophobicContact CG-CG2 4.02Å; V212-I229 HydrophobicContact CB-CD1 4.49Å; V212-I229 HydrophobicContact CB-CG1 4.31Å; V212-I229 HydrophobicContact CG1-CD1 3.78Å; V212-I229 HydrophobicContact CG1-CG1 4.13Å; V212-I229 HydrophobicContact CG1-CG2 4.42Å; F224-I229 HydrophobicContact CB-CD1 4.01Å; S225-I229 PolarHBondContact O-N 3.09Å; Q226-I229 PolarHBondContact O-N 3.33Å; I229-R231 VanDerWaalsContact C-N 3.34Å; I229-R231 PolarHBondContact O-N 2.97Å; I229-F232 WeakPolarHBondContact O-CB 3.19Å; I229-F232 PolarHBondContact O-N 3.04Å; I229-F232 VanDerWaalsContact O-N 3.12Å; I229-E233 HydrophobicContact CG2-CG 4.48Å; I229-E233 WeakPolarHBondContact CG2-OE1 3.31Å; I229-E233 WeakPolarHBondContact O-CG 3.39Å; I229-E233 PolarHBondContact O-N 2.94Å; I229-L249 HydrophobicContact CD1-CD2 3.83Å |
| 230 | S | 97.4 | Very high | 92.8 | Very high | 40 Ų | 40 | 63.2 Ų | 63.2 | 28% | 0.28 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 176.5 | -175 | 0 | 0 | 0 | 0 | 113.6 | Q226 A234 | Q226-S230 WeakPolarHBondContact O-CB 3.34Å; Q226-S230 PolarHBondContact O-N 2.84Å; S230-A234 WeakPolarHBondContact O-CB 3.39Å; S230-A234 PolarHBondContact O-N 3.36Å |
| 231 | R | 96.9 | Very high | 93.2 | Very high | 125 Ų | 125 | 63 Ų | 63 | 47% | 0.472 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.7 | -29.7 | 176.9 | -75.3 | 170.7 | 175.7 | -86.2 | -4.7 | 112.5 | T227 T228 I229 L235 N236 L237 | T227-R231 HydrophobicContact CG2-CG 4.49Å; T227-R231 VanDerWaalsContact O-CB 3.3Å; T227-R231 WeakPolarHBondContact O-CB 3.46Å; T227-R231 WeakPolarHBondContact O-CD 3.26Å; T227-R231 WeakPolarHBondContact O-CG 3.43Å; T227-R231 PolarHBondContact O-N 2.86Å; T227-R231 VanDerWaalsContact O-N 3.1Å; T228-R231 PolarHBondContact O-N 3.37Å; I229-R231 VanDerWaalsContact C-N 3.34Å; I229-R231 PolarHBondContact O-N 2.97Å; R231-L235 CarbonylContact O-C 3.59Å; R231-L235 PolarHBondContact O-N 3.12Å; R231-N236 HydrophobicContact CB-CB 4.47Å; R231-N236 HydrophobicContact CG-CB 4.46Å; R231-N236 PolarHBondContact O-N 3.32Å; R231-L237 HydrophobicContact CB-CD1 4.37Å; R231-L237 HydrophobicContact CB-CD2 3.65Å; R231-L237 HydrophobicContact CB-CG 3.79Å; R231-L237 HydrophobicContact CG-CD2 4.41Å |
| 232 | F | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.7 | -51.5 | 172.7 | -175.7 | -86.2 | 0 | 0 | 0 | 110.7 | L191 F194 A195 T228 I229 A234 L235 L237 M242 L245 K246 L249 | L191-F232 HydrophobicContact CD1-CE2 4.41Å; L191-F232 HydrophobicContact CD1-CZ 4.27Å; F194-F232 AromaticContact CD1-CE1 3.68Å; F194-F232 HydrophobicContact CD1-CE1 3.68Å; F194-F232 AromaticContact CD1-CZ 3.59Å; F194-F232 HydrophobicContact CD1-CZ 3.59Å; F194-F232 AromaticContact CE1-CE1 3.55Å; F194-F232 HydrophobicContact CE1-CE1 3.55Å; F194-F232 AromaticContact CE1-CZ 3.54Å; F194-F232 HydrophobicContact CE1-CZ 3.54Å; A195-F232 HydrophobicContact CB-CE1 4.24Å; T228-F232 PolarHBondContact O-N 3.22Å; I229-F232 WeakPolarHBondContact O-CB 3.19Å; I229-F232 PolarHBondContact O-N 3.04Å; I229-F232 VanDerWaalsContact O-N 3.12Å; F232-A234 PolarHBondContact O-N 3.41Å; F232-A234 VanDerWaalsContact O-N 3.15Å; F232-L235 PolarHBondContact O-N 3.49Å; F232-L237 HydrophobicContact CB-CD1 4.2Å; F232-M242 HydrophobicContact CB-SD 4.37Å; F232-M242 HydrophobicContact CD1-CE 4.27Å; F232-M242 HydrophobicContact CD2-CE 3.46Å; F232-M242 VanDerWaalsContact CD2-CE 3.46Å; F232-M242 HydrophobicContact CD2-SD 3.48Å; F232-M242 WeakPolarHBondContact CD2-SD 3.41Å; F232-M242 HydrophobicContact CE1-CE 4.28Å; F232-M242 HydrophobicContact CE2-CB 4.46Å; F232-M242 HydrophobicContact CE2-CE 3.48Å; F232-M242 VanDerWaalsContact CE2-CE 3.48Å; F232-M242 HydrophobicContact CE2-SD 3.95Å; F232-M242 HydrophobicContact CG-CE 3.87Å; F232-M242 HydrophobicContact CG-SD 4.09Å; F232-M242 HydrophobicContact CZ-CE 3.9Å; F232-M242 WeakPolarHBondContact O-CE 3.35Å; F232-L245 HydrophobicContact CD2-CB 3.61Å; F232-L245 HydrophobicContact CD2-CD1 3.94Å; F232-L245 HydrophobicContact CD2-CG 4.45Å; F232-L245 HydrophobicContact CE2-CB 3.65Å; F232-K246 HydrophobicContact CZ-CB 4.36Å; F232-L249 HydrophobicContact CB-CD1 4.38Å; F232-L249 HydrophobicContact CD1-CD1 3.55Å; F232-L249 HydrophobicContact CD2-CD1 3.87Å; F232-L249 HydrophobicContact CE1-CD1 3.7Å; F232-L249 HydrophobicContact CE2-CD1 4Å; F232-L249 HydrophobicContact CG-CD1 3.65Å; F232-L249 HydrophobicContact CZ-CD1 3.92Å |
| 233 | E | 97.2 | Very high | 94.4 | Very high | 19 Ų | 19 | 57.8 Ų | 57.8 | 9% | 0.089 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.9 | -23.3 | 178 | -70.4 | 176.8 | -170.7 | 0 | 0 | 114.2 | F198 K199 R202 Q209 I229 | F198-E233 HydrophobicContact CD1-CG 4.13Å; F198-E233 HydrophobicContact CE1-CG 4.41Å; K199-E233 HydrophobicContact CB-CB 4.49Å; K199-E233 HydrophobicContact CB-CG 4.04Å; K199-E233 HydrophobicContact CD-CB 4.34Å; K199-E233 HydrophobicContact CG-CG 4.33Å; R202-E233 WeakPolarHBondContact CD-OE1 3.45Å; R202-E233 IonicContact CZ-OE1 3.24Å; R202-E233 IonicContact NE-OE1 2.69Å; R202-E233 IonicContact NH1-OE1 3.68Å; R202-E233 PolarHBondContact NH1-OE1 2.81Å; R202-E233 IonicContact NH1-OE2 2.71Å; R202-E233 PolarHBondContact NH1-OE2 3.03Å; Q209-E233 PolarHBondContact NE2-OE2 2.79Å; I229-E233 HydrophobicContact CG2-CG 4.48Å; I229-E233 WeakPolarHBondContact CG2-OE1 3.31Å; I229-E233 WeakPolarHBondContact O-CG 3.39Å; I229-E233 PolarHBondContact O-N 2.94Å |
| 234 | A | 96.6 | Very high | 94.8 | Very high | 50 Ų | 50 | 62.3 Ų | 62.3 | 41% | 0.413 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.5 | 9.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | S230 F232 N236 | S230-A234 WeakPolarHBondContact O-CB 3.39Å; S230-A234 PolarHBondContact O-N 3.36Å; F232-A234 PolarHBondContact O-N 3.41Å; F232-A234 VanDerWaalsContact O-N 3.15Å; A234-N236 WeakPolarHBondContact CB-OD1 3.35Å; A234-N236 VanDerWaalsContact O-CG 3.31Å; A234-N236 PolarHBondContact O-N 3.18Å; A234-N236 PolarHBondContact O-ND2 3.1Å; A234-N236 PolarHBondContact O-OD1 2.87Å |
| 235 | L | 95.1 | Very high | 94.9 | Very high | 60 Ų | 60 | 61.4 Ų | 61.4 | 31% | 0.314 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 18.9 | -176.9 | -52.3 | 178.9 | 0 | 0 | 0 | 114.6 | E192 A195 R231 F232 L237 M242 | E192-L235 HydrophobicContact CB-CD1 3.97Å; E192-L235 HydrophobicContact CG-CD1 3.95Å; A195-L235 HydrophobicContact CB-CD2 3.63Å; R231-L235 CarbonylContact O-C 3.59Å; R231-L235 PolarHBondContact O-N 3.12Å; F232-L235 PolarHBondContact O-N 3.49Å; L235-L237 PolarHBondContact O-N 3.33Å; L235-L237 VanDerWaalsContact O-N 3.15Å; L235-M242 HydrophobicContact CD2-CE 3.55Å |
| 236 | N | 95.8 | Very high | 95.2 | Very high | 106 Ų | 106 | 61 Ų | 61 | 57% | 0.567 | 32% | 0.316 | S | S | * | . | trans | -89.2 | 39.9 | -177.8 | -57.9 | 141.9 | 0 | 0 | 0 | 113.2 | R231 A234 | R231-N236 HydrophobicContact CB-CB 4.47Å; R231-N236 HydrophobicContact CG-CB 4.46Å; R231-N236 PolarHBondContact O-N 3.32Å; A234-N236 WeakPolarHBondContact CB-OD1 3.35Å; A234-N236 VanDerWaalsContact O-CG 3.31Å; A234-N236 PolarHBondContact O-N 3.18Å; A234-N236 PolarHBondContact O-ND2 3.1Å; A234-N236 PolarHBondContact O-OD1 2.87Å | ||
| 237 | L | 94.1 | Very high | 95.2 | Very high | 43 Ų | 43 | 60 Ų | 60 | 23% | 0.225 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -126.3 | 158.5 | 169 | -59 | 174.7 | 0 | 0 | 0 | 108.9 | R231 F232 L235 N241 M242 L245 | R231-L237 HydrophobicContact CB-CD1 4.37Å; R231-L237 HydrophobicContact CB-CD2 3.65Å; R231-L237 HydrophobicContact CB-CG 3.79Å; R231-L237 HydrophobicContact CG-CD2 4.41Å; F232-L237 HydrophobicContact CB-CD1 4.2Å; L235-L237 PolarHBondContact O-N 3.33Å; L235-L237 VanDerWaalsContact O-N 3.15Å; L237-N241 HydrophobicContact CB-CB 4.31Å; L237-M242 HydrophobicContact CB-CG 3.96Å; L237-M242 HydrophobicContact CB-SD 3.74Å; L237-M242 HydrophobicContact CD1-SD 3.9Å; L237-M242 HydrophobicContact CG-SD 4.15Å; L237-L245 HydrophobicContact CD1-CD1 3.52Å |
| 238 | S | 94.3 | Very high | 95.2 | Very high | 72 Ų | 72 | 59.1 Ų | 59.1 | 50% | 0.503 | 31% | 0.31 | S | S | . | . | trans | -63.2 | 144.4 | 169.7 | 52.4 | 0 | 0 | 0 | 0 | 110.6 | K240 N241 M242 | S238-K240 VanDerWaalsContact C-N 3.28Å; S238-K240 PolarHBondContact O-N 3.09Å; S238-N241 WeakPolarHBondContact O-CA 3.49Å; S238-N241 WeakPolarHBondContact O-CB 3.4Å; S238-N241 PolarHBondContact O-N 3.36Å; S238-N241 PolarHBondContact OG-ND2 3.12Å; S238-M242 PolarHBondContact O-N 2.88Å | ||
| 239 | F | 92.9 | Very high | 95.2 | Very high | 96 Ų | 96 | 57.5 Ų | 57.5 | 42% | 0.421 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -46.3 | -48.4 | 178.4 | 178.9 | -105.2 | 0 | 0 | 0 | 112.7 | D187 L188 L191 N241 M242 C243 | D187-F239 HydrophobicContact CB-CE2 3.66Å; D187-F239 HydrophobicContact CB-CZ 3.45Å; D187-F239 VanDerWaalsContact CB-CZ 3.45Å; L188-F239 HydrophobicContact CD1-CD2 4.44Å; L191-F239 HydrophobicContact CD2-CD2 4.11Å; L191-F239 HydrophobicContact CD2-CE2 4.39Å; F239-N241 PolarHBondContact O-N 2.84Å; F239-N241 VanDerWaalsContact O-N 3.11Å; F239-M242 WeakPolarHBondContact O-CA 3.14Å; F239-M242 WeakPolarHBondContact O-CB 3.33Å; F239-M242 PolarHBondContact O-N 3.49Å; F239-C243 VanDerWaalsContact CZ-SG 3.55Å; F239-C243 PolarHBondContact O-N 2.83Å; F239-C243 PolarHBondContact O-SG 3.37Å |
| 240 | K | 93.4 | Very high | 95.2 | Very high | 159 Ų | 159 | 60.9 Ų | 60.9 | 69% | 0.691 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -61.4 | -20 | 176.4 | -171.1 | 164.2 | -174.5 | 164.6 | 0 | 115.4 | S238 K244 | S238-K240 VanDerWaalsContact C-N 3.28Å; S238-K240 PolarHBondContact O-N 3.09Å; K240-K244 WeakPolarHBondContact O-CG 3.27Å |
| 241 | N | 94.5 | Very high | 95 | Very high | 78 Ų | 78 | 64.5 Ų | 64.5 | 42% | 0.417 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -89.1 | -35.1 | 169.7 | -77.7 | -23.7 | 0 | 0 | 0 | 111.8 | L237 S238 F239 K244 L245 | L237-N241 HydrophobicContact CB-CB 4.31Å; S238-N241 WeakPolarHBondContact O-CA 3.49Å; S238-N241 WeakPolarHBondContact O-CB 3.4Å; S238-N241 PolarHBondContact O-N 3.36Å; S238-N241 PolarHBondContact OG-ND2 3.12Å; F239-N241 PolarHBondContact O-N 2.84Å; F239-N241 VanDerWaalsContact O-N 3.11Å; N241-K244 PolarHBondContact O-N 3.24Å; N241-L245 WeakPolarHBondContact O-CG 3.36Å; N241-L245 PolarHBondContact O-N 3.35Å; N241-L245 VanDerWaalsContact O-N 3.13Å |
| 242 | M | 94.4 | Very high | 94.9 | Very high | 4 Ų | 4 | 59 Ų | 59 | 2% | 0.02 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -61.1 | -51 | 173.5 | -66.4 | -67.1 | -63.8 | 0 | 0 | 111.5 | L191 F232 L235 L237 S238 F239 K244 L245 K246 | L191-M242 HydrophobicContact CD1-CB 3.93Å; L191-M242 HydrophobicContact CD1-CE 3.92Å; L191-M242 HydrophobicContact CD2-CB 3.35Å; L191-M242 HydrophobicContact CD2-CE 4.03Å; L191-M242 HydrophobicContact CD2-CG 3.9Å; L191-M242 HydrophobicContact CG-CB 4.15Å; L191-M242 HydrophobicContact CG-CE 3.93Å; F232-M242 HydrophobicContact CB-SD 4.37Å; F232-M242 HydrophobicContact CD1-CE 4.27Å; F232-M242 HydrophobicContact CD2-CE 3.46Å; F232-M242 VanDerWaalsContact CD2-CE 3.46Å; F232-M242 HydrophobicContact CD2-SD 3.48Å; F232-M242 WeakPolarHBondContact CD2-SD 3.41Å; F232-M242 HydrophobicContact CE1-CE 4.28Å; F232-M242 HydrophobicContact CE2-CB 4.46Å; F232-M242 HydrophobicContact CE2-CE 3.48Å; F232-M242 VanDerWaalsContact CE2-CE 3.48Å; F232-M242 HydrophobicContact CE2-SD 3.95Å; F232-M242 HydrophobicContact CG-CE 3.87Å; F232-M242 HydrophobicContact CG-SD 4.09Å; F232-M242 HydrophobicContact CZ-CE 3.9Å; F232-M242 WeakPolarHBondContact O-CE 3.35Å; L235-M242 HydrophobicContact CD2-CE 3.55Å; L237-M242 HydrophobicContact CB-CG 3.96Å; L237-M242 HydrophobicContact CB-SD 3.74Å; L237-M242 HydrophobicContact CD1-SD 3.9Å; L237-M242 HydrophobicContact CG-SD 4.15Å; S238-M242 PolarHBondContact O-N 2.88Å; F239-M242 WeakPolarHBondContact O-CA 3.14Å; F239-M242 WeakPolarHBondContact O-CB 3.33Å; F239-M242 PolarHBondContact O-N 3.49Å; M242-K244 PolarHBondContact O-N 3.24Å; M242-K244 VanDerWaalsContact O-N 3.14Å; M242-L245 PolarHBondContact O-N 3.03Å; M242-K246 PolarHBondContact O-N 2.82Å |
| 243 | C | 94.2 | Very high | 94.8 | Very high | 56 Ų | 56 | 59.2 Ų | 59.2 | 38% | 0.378 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -60.1 | -25.8 | 177.3 | -53 | 0 | 0 | 0 | 0 | 113.1 | F239 P247 | F239-C243 VanDerWaalsContact CZ-SG 3.55Å; F239-C243 PolarHBondContact O-N 2.83Å; F239-C243 PolarHBondContact O-SG 3.37Å; C243-P247 WeakPolarHBondContact O-CD 3.35Å |
| 244 | K | 93.8 | Very high | 94.7 | Very high | 133 Ų | 133 | 62.3 Ų | 62.3 | 58% | 0.578 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -77.5 | -29.1 | 173.3 | -78.5 | -178.2 | 171.9 | -161.6 | 0 | 113.7 | K240 N241 M242 L248 | K240-K244 WeakPolarHBondContact O-CG 3.27Å; N241-K244 PolarHBondContact O-N 3.24Å; M242-K244 PolarHBondContact O-N 3.24Å; M242-K244 VanDerWaalsContact O-N 3.14Å; K244-L248 WeakPolarHBondContact O-CD1 3.14Å |
| 245 | L | 94.8 | Very high | 94.5 | Very high | 16 Ų | 16 | 63.2 Ų | 63.2 | 8% | 0.084 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -89.2 | -33 | -179.3 | -71.7 | 173.3 | 0 | 0 | 0 | 112.1 | F224 T228 F232 L237 N241 M242 L248 L249 | F224-L245 HydrophobicContact CD1-CD2 4.28Å; F224-L245 HydrophobicContact CD2-CD2 4.49Å; F224-L245 HydrophobicContact CE1-CD2 3.71Å; F224-L245 HydrophobicContact CE2-CD2 3.94Å; F224-L245 HydrophobicContact CZ-CD2 3.52Å; T228-L245 HydrophobicContact CG2-CD1 3.98Å; F232-L245 HydrophobicContact CD2-CB 3.61Å; F232-L245 HydrophobicContact CD2-CD1 3.94Å; F232-L245 HydrophobicContact CD2-CG 4.45Å; F232-L245 HydrophobicContact CE2-CB 3.65Å; L237-L245 HydrophobicContact CD1-CD1 3.52Å; N241-L245 WeakPolarHBondContact O-CG 3.36Å; N241-L245 PolarHBondContact O-N 3.35Å; N241-L245 VanDerWaalsContact O-N 3.13Å; M242-L245 PolarHBondContact O-N 3.03Å; L245-L248 PolarHBondContact O-N 2.71Å; L245-L248 VanDerWaalsContact O-N 3.17Å; L245-L249 HydrophobicContact CB-CD1 4.14Å; L245-L249 WeakPolarHBondContact O-CB 3.34Å; L245-L249 WeakPolarHBondContact O-CG 3.37Å; L245-L249 PolarHBondContact O-N 3.1Å |
| 246 | K | 95.3 | Very high | 94.3 | Very high | 30 Ų | 30 | 61 Ų | 61 | 13% | 0.13 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -45.8 | -63 | 179.2 | -179 | -174.4 | 178.3 | -165.4 | 0 | 112.8 | E190 L191 F194 F232 M242 L248 L249 E250 | E190-K246 IonicContact OE1-NZ 2.71Å; E190-K246 PolarHBondContact OE1-NZ 3.24Å; E190-K246 IonicContact OE2-NZ 2.93Å; E190-K246 PolarHBondContact OE2-NZ 2.69Å; L191-K246 HydrophobicContact CD1-CB 4.25Å; L191-K246 HydrophobicContact CD1-CD 4.43Å; F194-K246 HydrophobicContact CD1-CB 4.49Å; F194-K246 HydrophobicContact CD1-CG 3.87Å; F194-K246 HydrophobicContact CD2-CG 4.19Å; F194-K246 HydrophobicContact CE1-CG 4.02Å; F194-K246 HydrophobicContact CE2-CG 4.35Å; F194-K246 HydrophobicContact CG-CD 4.3Å; F194-K246 HydrophobicContact CG-CG 3.96Å; F194-K246 HydrophobicContact CZ-CG 4.27Å; F232-K246 HydrophobicContact CZ-CB 4.36Å; M242-K246 PolarHBondContact O-N 2.82Å; K246-L248 PolarHBondContact O-N 2.79Å; K246-L248 VanDerWaalsContact O-N 3.17Å; K246-L249 PolarHBondContact O-N 3.35Å; K246-E250 WeakPolarHBondContact O-CB 3.3Å; K246-E250 PolarHBondContact O-N 3.35Å |
| 247 | P | 94.8 | Very high | 94 | Very high | 68 Ų | 68 | 59.3 Ų | 59.3 | 44% | 0.442 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.7 | -24.6 | -174.5 | 27 | -36.4 | 0 | 0 | 0 | 113.7 | C243 K251 | C243-P247 WeakPolarHBondContact O-CD 3.35Å; P247-K251 WeakPolarHBondContact O-CB 3.4Å; P247-K251 PolarHBondContact O-N 3.5Å |
| 248 | L | 94.7 | Very high | 93.7 | Very high | 51 Ų | 51 | 61.5 Ų | 61.5 | 27% | 0.267 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -74.6 | -45.9 | 176.8 | -56 | 178.9 | 0 | 0 | 0 | 110.7 | M216 Y220 F224 K244 L245 K246 W252 | M216-L248 HydrophobicContact CE-CB 3.57Å; M216-L248 WeakPolarHBondContact CE-O 3.36Å; Y220-L248 HydrophobicContact CD1-CD2 3.85Å; Y220-L248 HydrophobicContact CE1-CD2 3.6Å; Y220-L248 PolarHBondContact OH-O 2.77Å; F224-L248 HydrophobicContact CE2-CD1 4.24Å; F224-L248 HydrophobicContact CZ-CD1 4.02Å; K244-L248 WeakPolarHBondContact O-CD1 3.14Å; L245-L248 PolarHBondContact O-N 2.71Å; L245-L248 VanDerWaalsContact O-N 3.17Å; K246-L248 PolarHBondContact O-N 2.79Å; K246-L248 VanDerWaalsContact O-N 3.17Å; L248-W252 PolarHBondContact O-N 3.01Å |
| 249 | L | 95.5 | Very high | 92.8 | Very high | 1 Ų | 1 | 61.6 Ų | 61.6 | 1% | 0.005 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -72.3 | -34 | 177.9 | -67.2 | 177 | 0 | 0 | 0 | 112 | F194 F198 V212 M216 I229 F232 L245 K246 L253 | F194-L249 HydrophobicContact CE1-CB 4.33Å; F194-L249 HydrophobicContact CZ-CB 4.31Å; F198-L249 HydrophobicContact CD2-CB 4.01Å; F198-L249 HydrophobicContact CE2-CB 3.67Å; F198-L249 HydrophobicContact CE2-CD2 4.19Å; F198-L249 HydrophobicContact CE2-CG 4.37Å; F198-L249 HydrophobicContact CZ-CB 4.28Å; F198-L249 HydrophobicContact CZ-CD2 4Å; F198-L249 HydrophobicContact CZ-CG 4.49Å; V212-L249 HydrophobicContact CG1-CD2 4.07Å; M216-L249 HydrophobicContact CE-CD2 4.3Å; M216-L249 HydrophobicContact CG-CD2 4.3Å; M216-L249 HydrophobicContact SD-CD2 4.3Å; I229-L249 HydrophobicContact CD1-CD2 3.83Å; F232-L249 HydrophobicContact CB-CD1 4.38Å; F232-L249 HydrophobicContact CD1-CD1 3.55Å; F232-L249 HydrophobicContact CD2-CD1 3.87Å; F232-L249 HydrophobicContact CE1-CD1 3.7Å; F232-L249 HydrophobicContact CE2-CD1 4Å; F232-L249 HydrophobicContact CG-CD1 3.65Å; F232-L249 HydrophobicContact CZ-CD1 3.92Å; L245-L249 HydrophobicContact CB-CD1 4.14Å; L245-L249 WeakPolarHBondContact O-CB 3.34Å; L245-L249 WeakPolarHBondContact O-CG 3.37Å; L245-L249 PolarHBondContact O-N 3.1Å; K246-L249 PolarHBondContact O-N 3.35Å; L249-L253 VanDerWaalsContact O-CB 3.29Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 PolarHBondContact O-N 3.32Å |
| 250 | E | 95.6 | Very high | 91.1 | Very high | 71 Ų | 71 | 63 Ų | 63 | 33% | 0.332 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -65.4 | -49.8 | 176.7 | -178.2 | 159.9 | -131 | 0 | 0 | 111.4 | F194 K246 L253 N254 | F194-E250 HydrophobicContact CE2-CB 3.55Å; F194-E250 HydrophobicContact CE2-CG 3.82Å; F194-E250 HydrophobicContact CZ-CB 3.67Å; F194-E250 HydrophobicContact CZ-CG 4.44Å; K246-E250 WeakPolarHBondContact O-CB 3.3Å; K246-E250 PolarHBondContact O-N 3.35Å; E250-L253 PolarHBondContact O-N 3.33Å; E250-N254 PolarHBondContact O-N 2.91Å; E250-N254 PolarHBondContact O-ND2 3.21Å |
| 251 | K | 94.3 | Very high | 89.4 | Confident | 116 Ų | 116 | 59.3 Ų | 59.3 | 50% | 0.504 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.4 | -48.5 | 174.4 | 170.7 | 164.5 | 177.7 | 172.5 | 0 | 111.3 | Y220 P247 L253 N254 D255 | Y220-K251 WeakPolarHBondContact OH-CB 3.22Å; Y220-K251 WeakPolarHBondContact OH-CG 3.31Å; P247-K251 WeakPolarHBondContact O-CB 3.4Å; P247-K251 PolarHBondContact O-N 3.5Å; K251-L253 PolarHBondContact O-N 2.94Å; K251-N254 PolarHBondContact O-N 3.31Å; K251-N254 VanDerWaalsContact O-N 3.17Å; K251-D255 WeakPolarHBondContact CE-OD2 3.43Å; K251-D255 WeakPolarHBondContact CG-OD2 2.95Å; K251-D255 WeakPolarHBondContact O-CB 3.29Å; K251-D255 VanDerWaalsContact O-CG 3.24Å; K251-D255 PolarHBondContact O-N 3.09Å |
| 252 | W | 94.6 | Very high | 86.8 | Confident | 11 Ų | 11 | 61.4 Ų | 61.4 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -57.8 | -36.9 | 177 | 170.7 | 85 | 0 | 0 | 0 | 112.8 | F198 R202 F207 V212 M216 L219 L248 D255 A256 | F198-W252 AromaticContact CE2-CE3 3.81Å; F198-W252 HydrophobicContact CE2-CE3 3.81Å; F198-W252 AromaticContact CE2-CZ3 3.87Å; F198-W252 HydrophobicContact CE2-CZ3 3.87Å; F198-W252 HydrophobicContact CZ-CE3 4.13Å; F198-W252 AromaticContact CZ-CZ3 3.94Å; F198-W252 HydrophobicContact CZ-CZ3 3.94Å; R202-W252 HydrophobicContact CG-CH2 4.27Å; R202-W252 HydrophobicContact CG-CZ3 4.37Å; F207-W252 HydrophobicContact CB-CH2 4.34Å; F207-W252 AromaticContact CD2-CH2 3.73Å; F207-W252 HydrophobicContact CD2-CH2 3.73Å; F207-W252 AromaticContact CD2-CZ2 3.88Å; F207-W252 HydrophobicContact CD2-CZ2 3.88Å; F207-W252 HydrophobicContact CE2-CH2 4.29Å; F207-W252 HydrophobicContact CE2-CZ2 4.11Å; F207-W252 HydrophobicContact CG-CH2 4.13Å; F207-W252 HydrophobicContact CG-CZ2 4.15Å; V212-W252 HydrophobicContact CB-CH2 4.47Å; V212-W252 HydrophobicContact CG1-CD2 4.35Å; V212-W252 HydrophobicContact CG1-CE3 4.19Å; V212-W252 HydrophobicContact CG1-CZ3 4.27Å; V212-W252 HydrophobicContact CG2-CH2 3.56Å; V212-W252 HydrophobicContact CG2-CZ2 3.97Å; V212-W252 HydrophobicContact CG2-CZ3 3.87Å; M216-W252 HydrophobicContact CG-CG 4.47Å; M216-W252 HydrophobicContact SD-CB 3.32Å; M216-W252 WeakPolarHBondContact SD-CB 3.18Å; M216-W252 HydrophobicContact SD-CD2 4.49Å; M216-W252 HydrophobicContact SD-CG 3.61Å; L219-W252 HydrophobicContact CD1-CB 4.39Å; L248-W252 PolarHBondContact O-N 3.01Å; W252-D255 PolarHBondContact O-N 3.26Å; W252-A256 HydrophobicContact CH2-CB 4.38Å; W252-A256 HydrophobicContact CZ2-CB 4.17Å; W252-A256 VanDerWaalsContact O-CB 3.26Å; W252-A256 WeakPolarHBondContact O-CB 3.32Å; W252-A256 PolarHBondContact O-N 2.72Å |
| 253 | L | 95.4 | Very high | 84.7 | Confident | 3 Ų | 3 | 67.1 Ų | 67.1 | 2% | 0.016 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -67.1 | -42.8 | 178.6 | -165.6 | 71.9 | 0 | 0 | 0 | 111.4 | F198 R201 L249 E250 K251 A256 E257 | F198-L253 HydrophobicContact CB-CD2 4.49Å; F198-L253 HydrophobicContact CD2-CB 4.29Å; F198-L253 HydrophobicContact CD2-CD1 4.14Å; F198-L253 HydrophobicContact CD2-CD2 3.97Å; F198-L253 HydrophobicContact CD2-CG 4.39Å; F198-L253 HydrophobicContact CE2-CB 4.36Å; F198-L253 HydrophobicContact CE2-CD1 4.18Å; R201-L253 HydrophobicContact CB-CD1 3.89Å; R201-L253 HydrophobicContact CB-CD2 4.05Å; R201-L253 HydrophobicContact CB-CG 4.3Å; R201-L253 HydrophobicContact CG-CD2 4.46Å; L249-L253 VanDerWaalsContact O-CB 3.29Å; L249-L253 WeakPolarHBondContact O-CB 3.41Å; L249-L253 PolarHBondContact O-N 3.32Å; E250-L253 PolarHBondContact O-N 3.33Å; K251-L253 PolarHBondContact O-N 2.94Å; L253-A256 PolarHBondContact O-N 3.37Å; L253-E257 WeakPolarHBondContact O-CB 3.24Å; L253-E257 WeakPolarHBondContact O-CG 3.45Å; L253-E257 PolarHBondContact O-N 3.29Å |
| 254 | N | 94.4 | Very high | 82.3 | Confident | 85 Ų | 85 | 68.6 Ų | 68.6 | 46% | 0.455 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -66.3 | -41.2 | 173.8 | -72.1 | -81.7 | 0 | 0 | 0 | 112 | E250 K251 A256 E257 S258 | E250-N254 PolarHBondContact O-N 2.91Å; E250-N254 PolarHBondContact O-ND2 3.21Å; K251-N254 PolarHBondContact O-N 3.31Å; K251-N254 VanDerWaalsContact O-N 3.17Å; N254-A256 PolarHBondContact O-N 3.15Å; N254-E257 PolarHBondContact O-N 2.84Å; N254-S258 VanDerWaalsContact O-CB 3.29Å; N254-S258 WeakPolarHBondContact O-CB 3.43Å; N254-S258 PolarHBondContact O-N 2.79Å; N254-S258 PolarHBondContact O-OG 2.59Å |
| 255 | D | 92.1 | Very high | 80.1 | Confident | 68 Ų | 68 | 67.4 Ų | 67.4 | 36% | 0.364 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -29.2 | 174.4 | -66.5 | -13.6 | 0 | 0 | 0 | 111.4 | K251 W252 S258 | K251-D255 WeakPolarHBondContact CE-OD2 3.43Å; K251-D255 WeakPolarHBondContact CG-OD2 2.95Å; K251-D255 WeakPolarHBondContact O-CB 3.29Å; K251-D255 VanDerWaalsContact O-CG 3.24Å; K251-D255 PolarHBondContact O-N 3.09Å; W252-D255 PolarHBondContact O-N 3.26Å; D255-S258 PolarHBondContact O-OG 3.27Å |
| 256 | A | 91.7 | Very high | 77.8 | Confident | 15 Ų | 15 | 72.6 Ų | 72.6 | 12% | 0.124 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -85.6 | -37.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | L205 F207 W252 L253 N254 S259 | L205-A256 HydrophobicContact CD1-CB 4.01Å; F207-A256 HydrophobicContact CE2-CB 4.18Å; W252-A256 HydrophobicContact CH2-CB 4.38Å; W252-A256 HydrophobicContact CZ2-CB 4.17Å; W252-A256 VanDerWaalsContact O-CB 3.26Å; W252-A256 WeakPolarHBondContact O-CB 3.32Å; W252-A256 PolarHBondContact O-N 2.72Å; L253-A256 PolarHBondContact O-N 3.37Å; N254-A256 PolarHBondContact O-N 3.15Å; A256-S259 PolarHBondContact O-N 3.13Å |
| 257 | E | 90.1 | Very high | 75.1 | Confident | 70 Ų | 70 | 76.1 Ų | 76.1 | 33% | 0.327 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -73.9 | -25.4 | 176.4 | -73.7 | -177.4 | 117.8 | 0 | 0 | 112.7 | R201 L205 L253 N254 S259 | R201-E257 WeakPolarHBondContact CD-OE1 3.18Å; R201-E257 WeakPolarHBondContact CD-OE2 3.38Å; R201-E257 WeakPolarHBondContact CG-OE1 3.46Å; R201-E257 IonicContact CZ-OE1 2.69Å; R201-E257 IonicContact CZ-OE2 3.76Å; R201-E257 IonicContact NE-OE1 2.68Å; R201-E257 IonicContact NE-OE2 2.64Å; R201-E257 IonicContact NH1-OE1 3.53Å; R201-E257 IonicContact NH1-OE2 2.63Å; R201-E257 PolarHBondContact NH1-OE2 3.3Å; L205-E257 HydrophobicContact CD1-CG 3.83Å; L253-E257 WeakPolarHBondContact O-CB 3.24Å; L253-E257 WeakPolarHBondContact O-CG 3.45Å; L253-E257 PolarHBondContact O-N 3.29Å; N254-E257 PolarHBondContact O-N 2.84Å; E257-S259 VanDerWaalsContact C-N 3.33Å |
| 258 | S | 86.6 | Confident | 72.9 | Confident | 88 Ų | 88 | 79.4 Ų | 79.4 | 62% | 0.615 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.2 | -4.7 | 174.2 | 57.7 | 0 | 0 | 0 | 0 | 114.2 | N254 D255 P260 | N254-S258 VanDerWaalsContact O-CB 3.29Å; N254-S258 WeakPolarHBondContact O-CB 3.43Å; N254-S258 PolarHBondContact O-N 2.79Å; N254-S258 PolarHBondContact O-OG 2.59Å; D255-S258 PolarHBondContact O-OG 3.27Å; S258-P260 WeakPolarHBondContact O-CD 3.36Å |
| 259 | S | 76.2 | Confident | 70.4 | Confident | 75 Ų | 75 | 81.5 Ų | 81.5 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | S | Bend | trans | -83 | 110.7 | 171.5 | -162.2 | 0 | 0 | 0 | 0 | 109.6 | A256 E257 S261 | A256-S259 PolarHBondContact O-N 3.13Å; E257-S259 VanDerWaalsContact C-N 3.33Å; S259-S261 PolarHBondContact O-N 3.13Å |
| 260 | P | 56.7 | Low | 67.8 | Low | 125 Ų | 125 | 86.5 Ų | 86.5 | 81% | 0.812 | 53% | 0.534 | S | S | * | . | trans | -72.1 | 96.4 | -170.2 | 29.1 | -34.7 | 0 | 0 | 0 | 111.3 | S258 D262 | S258-P260 WeakPolarHBondContact O-CD 3.36Å; P260-D262 PolarHBondContact O-N 3.16Å; P260-D262 VanDerWaalsContact O-N 3.16Å | ||
| 261 | S | 57 | Low | 65.4 | Low | 82 Ų | 82 | 92.8 Ų | 92.8 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | trans | -75.9 | 93.6 | 165.6 | -57.1 | 0 | 0 | 0 | 0 | 108.5 | S259 P263 | S259-S261 PolarHBondContact O-N 3.13Å; S261-P263 WeakPolarHBondContact O-CD 3.45Å | ||
| 262 | D | 40.4 | Very low | 62.8 | Low | 122 Ų | 122 | 93 Ų | 93 | 65% | 0.652 | 57% | 0.57 | S | S | * | * | trans | -58.1 | 118.5 | 178 | -173.6 | -26.9 | 0 | 0 | 0 | 110.4 | P260 S264 | P260-D262 PolarHBondContact O-N 3.16Å; P260-D262 VanDerWaalsContact O-N 3.16Å; D262-S264 VanDerWaalsContact C-N 3.3Å; D262-S264 PolarHBondContact O-N 3.24Å; D262-S264 WeakPolarHBondContact OD1-CB 3.42Å; D262-S264 PolarHBondContact OD1-N 3.02Å; D262-S264 PolarHBondContact OD1-OG 3.23Å | ||
| 263 | P | 51.7 | Low | 60.2 | Low | 124 Ų | 124 | 96.5 Ų | 96.5 | 81% | 0.805 | 60% | 0.596 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 3.2 | -175.3 | 35.4 | -36.6 | 0 | 0 | 0 | 114.1 | S261 V265 | S261-P263 WeakPolarHBondContact O-CD 3.45Å; P263-V265 PolarHBondContact O-N 3.18Å |
| 264 | S | 43.3 | Very low | 58.2 | Low | 86 Ų | 86 | 102.2 Ų | 102.2 | 60% | 0.601 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -11.9 | -167.4 | 63.7 | 0 | 0 | 0 | 0 | 116.3 | D262 | D262-S264 VanDerWaalsContact C-N 3.3Å; D262-S264 PolarHBondContact O-N 3.24Å; D262-S264 WeakPolarHBondContact OD1-CB 3.42Å; D262-S264 PolarHBondContact OD1-N 3.02Å; D262-S264 PolarHBondContact OD1-OG 3.23Å |
| 265 | V | 46.3 | Very low | 55.5 | Low | 109 Ų | 109 | 101.2 Ų | 101.2 | 66% | 0.661 | 63% | 0.625 | S | S | * | * | trans | -113.2 | 100.4 | -175.1 | -178 | 0 | 0 | 0 | 0 | 112.4 | P263 T267 | P263-V265 PolarHBondContact O-N 3.18Å; V265-T267 WeakPolarHBondContact CG1-OG1 3.44Å; V265-T267 PolarHBondContact O-N 2.95Å; V265-T267 VanDerWaalsContact O-N 3.12Å | ||
| 266 | S | 46.3 | Very low | 52.9 | Low | 124 Ų | 124 | 106.3 Ų | 106.3 | 87% | 0.867 | 65% | 0.647 | S | S | * | * | trans | -81.1 | 79.3 | 175.7 | -67.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 267 | T | 39.1 | Very low | 50.6 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 64% | 0.638 | 68% | 0.675 | S | S | * | * | trans | -144.7 | 128.4 | 167.1 | 12.6 | 0 | 0 | 0 | 0 | 112.3 | V265 S269 | V265-T267 WeakPolarHBondContact CG1-OG1 3.44Å; V265-T267 PolarHBondContact O-N 2.95Å; V265-T267 VanDerWaalsContact O-N 3.12Å; T267-S269 PolarHBondContact O-N 3.35Å; T267-S269 VanDerWaalsContact O-N 3.09Å | ||
| 268 | P | 49.6 | Very low | 48.4 | Very low | 138 Ų | 138 | 115.9 Ų | 115.9 | 90% | 0.896 | 70% | 0.695 | S | S | * | * | trans | -85.1 | 76.1 | -179.2 | 34.7 | -35.2 | 0 | 0 | 0 | 111.9 | ||||
| 269 | S | 42.6 | Very low | 46.5 | Very low | 95 Ų | 95 | 115 Ų | 115 | 66% | 0.664 | 70% | 0.699 | S | S | * | * | trans | -149.1 | 142.9 | 170.4 | -163.6 | 0 | 0 | 0 | 0 | 113.7 | T267 | T267-S269 PolarHBondContact O-N 3.35Å; T267-S269 VanDerWaalsContact O-N 3.09Å | ||
| 270 | S | 40.3 | Very low | 45.2 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 74% | 0.741 | 72% | 0.716 | S | S | * | * | trans | 60.2 | 63.7 | 155.5 | -48.6 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 271 | Y | 44.6 | Very low | 45 | Very low | 202 Ų | 202 | 124.9 Ų | 124.9 | 79% | 0.792 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -58 | 143.7 | 133.6 | -89.9 | -94.2 | 0 | 0 | 0 | 108.7 | S273 | Y271-S273 PolarHBondContact O-N 2.76Š|
| 272 | P | 40.6 | Very low | 44.6 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 79% | 0.792 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 132 | 174.5 | 25.6 | -33.9 | 0 | 0 | 0 | 109.6 | L274 | P272-L274 PolarHBondContact O-N 2.93Š|
| 273 | S | 40 | Very low | 45.3 | Very low | 84 Ų | 84 | 129.3 Ų | 129.3 | 59% | 0.587 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -58.6 | 130.4 | -165.4 | -177.5 | 0 | 0 | 0 | 0 | 113 | Y271 S275 | Y271-S273 PolarHBondContact O-N 2.76Å; S273-S275 WeakPolarHBondContact CB-OG 3.41Å; S273-S275 PolarHBondContact O-N 3.46Å; S273-S275 WeakPolarHBondContact OG-CB 3.41Å; S273-S275 PolarHBondContact OG-N 3.38Å; S273-S275 PolarHBondContact OG-OG 2.8Å |
| 274 | L | 51.8 | Low | 45.7 | Very low | 122 Ų | 122 | 132.2 Ų | 132.2 | 64% | 0.639 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 4.4 | 174.4 | -131.4 | -178.9 | 0 | 0 | 0 | 113.2 | P272 | P272-L274 PolarHBondContact O-N 2.93Š|
| 275 | S | 38.4 | Very low | 47 | Very low | 65 Ų | 65 | 139.1 Ų | 139.1 | 46% | 0.455 | 73% | 0.727 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75 | -21.7 | 179.1 | 55.7 | 0 | 0 | 0 | 0 | 114.8 | S273 F278 | S273-S275 WeakPolarHBondContact CB-OG 3.41Å; S273-S275 PolarHBondContact O-N 3.46Å; S273-S275 WeakPolarHBondContact OG-CB 3.41Å; S273-S275 PolarHBondContact OG-N 3.38Å; S273-S275 PolarHBondContact OG-OG 2.8Å; S275-F278 WeakPolarHBondContact O-CD2 3.24Å |
| 276 | E | 38.7 | Very low | 48.5 | Very low | 175 Ų | 175 | 137.9 Ų | 137.9 | 82% | 0.818 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 3.2 | -164.5 | -147 | 156.9 | 128.9 | 0 | 0 | 115.4 | ||
| 277 | V | 43.2 | Very low | 49.9 | Very low | 118 Ų | 118 | 136.9 Ų | 136.9 | 72% | 0.715 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.6 | 29.2 | -177.6 | -160.1 | 0 | 0 | 0 | 0 | 113 | G279 | V277-G279 PolarHBondContact O-N 2.93Š|
| 278 | F | 43 | Very low | 52 | Low | 168 Ų | 168 | 133.2 Ų | 133.2 | 74% | 0.737 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 18 | 173.5 | -78.8 | -62.9 | 0 | 0 | 0 | 115.5 | S275 | S275-F278 WeakPolarHBondContact O-CD2 3.24Š|
| 279 | G | 46.1 | Very low | 54 | Low | 68 Ų | 68 | 132.3 Ų | 132.3 | 70% | 0.701 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83 | -47.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | V277 K281 | V277-G279 PolarHBondContact O-N 2.93Å; G279-K281 PolarHBondContact O-N 2.71Å |
| 280 | R | 48.9 | Very low | 56.2 | Low | 234 Ų | 234 | 131.7 Ų | 131.7 | 88% | 0.883 | 67% | 0.665 | S | S | * | * | trans | -100.1 | 73.8 | -168.8 | -60.9 | -173.8 | -167.6 | -127.7 | -1 | 111.7 | R282 | R280-R282 PolarHBondContact O-N 3.22Å; R280-R282 VanDerWaalsContact O-N 3.15Å | ||
| 281 | K | 52.3 | Low | 58.6 | Low | 175 Ų | 175 | 132.2 Ų | 132.2 | 76% | 0.761 | 66% | 0.659 | S | S | * | * | trans | -63.9 | 110.9 | 175.4 | -70.4 | 168.7 | -179.2 | 164.9 | 0 | 110.4 | G279 K283 | G279-K281 PolarHBondContact O-N 2.71Å; K281-K283 PolarHBondContact O-N 3.49Å | ||
| 282 | R | 50 | Low | 60.9 | Low | 93 Ų | 93 | 124 Ų | 124 | 35% | 0.351 | 63% | 0.629 | S | S | . | * | trans | -37.6 | 129.1 | 163 | -178.9 | -163.7 | -72.6 | 110.1 | 11 | 109.4 | D223 F224 R280 K284 | D223-R282 HydrophobicContact CB-CB 4.36Å; D223-R282 HydrophobicContact CB-CG 4.38Å; D223-R282 PolarHBondContact O-NE 3.35Å; D223-R282 PolarHBondContact O-NH2 2.93Å; D223-R282 WeakPolarHBondContact OD2-CB 3.27Å; F224-R282 PolarHBondContact O-NH2 3.12Å; R280-R282 PolarHBondContact O-N 3.22Å; R280-R282 VanDerWaalsContact O-N 3.15Å; R282-K284 PolarHBondContact O-N 3.15Å | ||
| 283 | K | 55 | Low | 63.4 | Low | 204 Ų | 204 | 123.5 Ų | 123.5 | 89% | 0.887 | 61% | 0.611 | S | S | * | * | trans | -52.9 | 103.8 | -179.5 | -165.9 | 166.8 | -175.1 | 174.8 | 0 | 109.4 | K281 R285 | K281-K283 PolarHBondContact O-N 3.49Å; K283-R285 PolarHBondContact O-N 3.04Å | ||
| 284 | K | 58.8 | Low | 66 | Low | 184 Ų | 184 | 124.9 Ų | 124.9 | 80% | 0.8 | 61% | 0.611 | S | S | * | * | trans | -61.2 | 133.3 | -173.4 | -79 | -166.1 | 174.9 | -172.4 | 0 | 108.8 | R282 T286 | R282-K284 PolarHBondContact O-N 3.15Å; K284-T286 PolarHBondContact O-N 2.81Å | ||
| 285 | R | 71.1 | Confident | 67.9 | Low | 232 Ų | 232 | 121.7 Ų | 121.7 | 88% | 0.875 | 60% | 0.597 | S | S | * | * | trans | -56.9 | 125.1 | 170.6 | -176.2 | -178 | -170.6 | 174.8 | 4.9 | 108.4 | K283 S287 | K283-R285 PolarHBondContact O-N 3.04Å; R285-S287 PolarHBondContact O-N 3.01Å | ||
| 286 | T | 77.3 | Confident | 70.6 | Confident | 83 Ų | 83 | 118.6 Ų | 118.6 | 51% | 0.509 | 58% | 0.575 | S | S | . | * | trans | -53.9 | 112 | 178.9 | -44.5 | 0 | 0 | 0 | 0 | 109.8 | K284 I288 V324 | K284-T286 PolarHBondContact O-N 2.81Å; T286-I288 PolarHBondContact O-N 3.24Å; T286-V324 HydrophobicContact CG2-CG1 4.39Å | ||
| 287 | S | 76.9 | Confident | 73.3 | Confident | 102 Ų | 102 | 113.5 Ų | 113.5 | 71% | 0.713 | 55% | 0.551 | S | S | * | * | trans | -80.3 | 96.9 | 175.6 | -178.5 | 0 | 0 | 0 | 0 | 108.1 | R285 E289 | R285-S287 PolarHBondContact O-N 3.01Å; S287-E289 PolarHBondContact O-N 2.81Å | ||
| 288 | I | 83.4 | Confident | 75.8 | Confident | 28 Ų | 28 | 114.8 Ų | 114.8 | 14% | 0.144 | 55% | 0.547 | C | S | . | . | trans | -65.7 | 124.7 | 174.3 | -48.8 | -178.4 | 0 | 0 | 0 | 107.4 | T286 I292 R293 L296 M320 V324 W328 | T286-I288 PolarHBondContact O-N 3.24Å; I288-I292 HydrophobicContact CG2-CB 3.94Å; I288-I292 HydrophobicContact CG2-CG2 3.49Å; I288-I292 VanDerWaalsContact CG2-CG2 3.49Å; I288-R293 HydrophobicContact CB-CG 4.19Å; I288-R293 HydrophobicContact CG2-CG 3.82Å; I288-R293 PolarHBondContact O-NE 3Å; I288-R293 PolarHBondContact O-NH2 3.18Å; I288-L296 HydrophobicContact CG2-CD1 4.14Å; I288-M320 HydrophobicContact CD1-CE 4.37Å; I288-M320 HydrophobicContact CG1-CE 3.97Å; I288-M320 HydrophobicContact CG2-CE 4.16Å; I288-M320 HydrophobicContact CG2-SD 4.44Å; I288-V324 HydrophobicContact CD1-CG1 4.21Å; I288-V324 HydrophobicContact CG1-CG1 4.43Å; I288-W328 HydrophobicContact CD1-CB 4.41Å; I288-W328 HydrophobicContact CD1-CG 4.27Å | ||
| 289 | E | 90.2 | Very high | 78.2 | Confident | 119 Ų | 119 | 111.4 Ų | 111.4 | 56% | 0.556 | 53% | 0.53 | S | S | * | . | trans | -65.4 | 162 | -178.9 | -60.5 | -173.3 | 174.8 | 0 | 0 | 112.7 | S287 I292 R293 | S287-E289 PolarHBondContact O-N 2.81Å; E289-I292 HydrophobicContact CB-CB 4.28Å; E289-I292 HydrophobicContact CB-CD1 3.98Å; E289-I292 HydrophobicContact CB-CG1 4.05Å; E289-I292 HydrophobicContact CG-CD1 4.07Å; E289-I292 PolarHBondContact O-N 3.18Å; E289-R293 WeakPolarHBondContact O-CB 3.43Å; E289-R293 WeakPolarHBondContact O-CG 3.39Å; E289-R293 PolarHBondContact O-N 3.15Å | ||
| 290 | T | 90.1 | Very high | 80.5 | Confident | 82 Ų | 82 | 108.4 Ų | 108.4 | 50% | 0.503 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -42.7 | -179.2 | -58.5 | 0 | 0 | 0 | 0 | 112 | I292 R293 L294 | T290-I292 PolarHBondContact O-N 3.28Å; T290-R293 WeakPolarHBondContact O-CB 3.31Å; T290-R293 PolarHBondContact O-N 3.18Å; T290-R293 PolarHBondContact OG1-NH1 3.05Å; T290-R293 VanDerWaalsContact OG1-NH1 3.08Å; T290-L294 HydrophobicContact CG2-CD1 4.45Å; T290-L294 WeakPolarHBondContact O-CG 3.12Å; T290-L294 PolarHBondContact O-N 2.59Å |
| 291 | N | 90.2 | Very high | 82.6 | Confident | 116 Ų | 116 | 104.5 Ų | 104.5 | 62% | 0.62 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -61.9 | -45.4 | 176.3 | -65.9 | -16.5 | 0 | 0 | 0 | 111.6 | R293 L294 T295 | N291-R293 VanDerWaalsContact C-N 3.34Å; N291-R293 PolarHBondContact O-N 3.2Å; N291-L294 PolarHBondContact O-N 2.97Å; N291-L294 VanDerWaalsContact O-N 3.15Å; N291-T295 PolarHBondContact O-N 3.23Å; N291-T295 PolarHBondContact O-OG1 3.12Å |
| 292 | I | 92.8 | Very high | 84.5 | Confident | 31 Ų | 31 | 100.9 Ų | 100.9 | 16% | 0.159 | 48% | 0.478 | C | S | . | . | H | α-helix | trans | -61 | -42.3 | 176.5 | -61.2 | 178 | 0 | 0 | 0 | 110.9 | I288 E289 T290 L294 T295 L296 L318 M320 | I288-I292 HydrophobicContact CG2-CB 3.94Å; I288-I292 HydrophobicContact CG2-CG2 3.49Å; I288-I292 VanDerWaalsContact CG2-CG2 3.49Å; E289-I292 HydrophobicContact CB-CB 4.28Å; E289-I292 HydrophobicContact CB-CD1 3.98Å; E289-I292 HydrophobicContact CB-CG1 4.05Å; E289-I292 HydrophobicContact CG-CD1 4.07Å; E289-I292 PolarHBondContact O-N 3.18Å; T290-I292 PolarHBondContact O-N 3.28Å; I292-L294 PolarHBondContact O-N 3.15Å; I292-T295 PolarHBondContact O-N 2.95Å; I292-L296 HydrophobicContact CG2-CD1 3.99Å; I292-L296 HydrophobicContact CG2-CG 4.49Å; I292-L296 WeakPolarHBondContact O-CB 3.29Å; I292-L296 VanDerWaalsContact O-CG 3.29Å; I292-L296 WeakPolarHBondContact O-CG 3.35Å; I292-L296 PolarHBondContact O-N 2.83Å; I292-L318 HydrophobicContact CG2-CB 4.4Å; I292-L318 HydrophobicContact CG2-CD1 4.13Å; I292-L318 HydrophobicContact CG2-CD2 4.36Å; I292-M320 HydrophobicContact CG2-CE 4.45Å; I292-M320 HydrophobicContact CG2-CG 4.34Å; I292-M320 HydrophobicContact CG2-SD 3.43Å; I292-M320 WeakPolarHBondContact CG2-SD 3.45Å |
| 293 | R | 93.6 | Very high | 86.4 | Confident | 111 Ų | 111 | 98.7 Ų | 98.7 | 42% | 0.419 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.8 | -41.9 | 173.5 | -76.7 | 179.3 | -116.9 | 129.5 | 0.4 | 112.5 | I288 E289 T290 N291 L296 E297 | I288-R293 HydrophobicContact CB-CG 4.19Å; I288-R293 HydrophobicContact CG2-CG 3.82Å; I288-R293 PolarHBondContact O-NE 3Å; I288-R293 PolarHBondContact O-NH2 3.18Å; E289-R293 WeakPolarHBondContact O-CB 3.43Å; E289-R293 WeakPolarHBondContact O-CG 3.39Å; E289-R293 PolarHBondContact O-N 3.15Å; T290-R293 WeakPolarHBondContact O-CB 3.31Å; T290-R293 PolarHBondContact O-N 3.18Å; T290-R293 PolarHBondContact OG1-NH1 3.05Å; T290-R293 VanDerWaalsContact OG1-NH1 3.08Å; N291-R293 VanDerWaalsContact C-N 3.34Å; N291-R293 PolarHBondContact O-N 3.2Å; R293-L296 PolarHBondContact O-N 3.39Å; R293-E297 WeakPolarHBondContact O-CB 3.46Å; R293-E297 PolarHBondContact O-N 2.94Å |
| 294 | L | 93.3 | Very high | 88.1 | Confident | 113 Ų | 113 | 91.6 Ų | 91.6 | 59% | 0.592 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -65.3 | -43.2 | 178.8 | -69.1 | 169.7 | 0 | 0 | 0 | 111.7 | T290 N291 I292 E297 K298 | T290-L294 HydrophobicContact CG2-CD1 4.45Å; T290-L294 WeakPolarHBondContact O-CG 3.12Å; T290-L294 PolarHBondContact O-N 2.59Å; N291-L294 PolarHBondContact O-N 2.97Å; N291-L294 VanDerWaalsContact O-N 3.15Å; I292-L294 PolarHBondContact O-N 3.15Å; L294-E297 PolarHBondContact O-N 2.98Å; L294-K298 PolarHBondContact O-N 3.48Å |
| 295 | T | 93.5 | Very high | 89.7 | Confident | 55 Ų | 55 | 90.3 Ų | 90.3 | 34% | 0.337 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -65.7 | -41 | 176.1 | -55.2 | 0 | 0 | 0 | 0 | 112 | N291 I292 K298 R299 L318 | N291-T295 PolarHBondContact O-N 3.23Å; N291-T295 PolarHBondContact O-OG1 3.12Å; I292-T295 PolarHBondContact O-N 2.95Å; T295-K298 PolarHBondContact O-N 3.5Å; T295-R299 WeakPolarHBondContact O-CG 3.13Å; T295-R299 PolarHBondContact O-N 3.17Å; T295-L318 HydrophobicContact CG2-CD2 3.9Å |
| 296 | L | 95.1 | Very high | 90.7 | Very high | 0 Ų | 0 | 80 Ų | 80 | 0% | 0 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 174 | -73.4 | 169.8 | 0 | 0 | 0 | 112.2 | I288 I292 R293 R299 F300 I314 L318 M320 V325 W328 F329 | I288-L296 HydrophobicContact CG2-CD1 4.14Å; I292-L296 HydrophobicContact CG2-CD1 3.99Å; I292-L296 HydrophobicContact CG2-CG 4.49Å; I292-L296 WeakPolarHBondContact O-CB 3.29Å; I292-L296 VanDerWaalsContact O-CG 3.29Å; I292-L296 WeakPolarHBondContact O-CG 3.35Å; I292-L296 PolarHBondContact O-N 2.83Å; R293-L296 PolarHBondContact O-N 3.39Å; L296-R299 PolarHBondContact O-N 2.9Å; L296-F300 WeakPolarHBondContact O-CB 3.48Å; L296-F300 PolarHBondContact O-N 3.36Å; L296-I314 HydrophobicContact CD2-CG2 3.74Å; L296-L318 HydrophobicContact CD1-CD1 4.45Å; L296-L318 HydrophobicContact CD2-CD1 3.62Å; L296-L318 HydrophobicContact CG-CD1 3.73Å; L296-M320 HydrophobicContact CD1-SD 4.4Å; L296-V325 HydrophobicContact CD2-CG1 4.04Å; L296-W328 VanDerWaalsContact C-CH2 3.41Å; L296-W328 HydrophobicContact CB-CD2 3.99Å; L296-W328 HydrophobicContact CB-CE3 3.89Å; L296-W328 HydrophobicContact CB-CH2 3.72Å; L296-W328 HydrophobicContact CB-CZ2 3.77Å; L296-W328 HydrophobicContact CB-CZ3 3.77Å; L296-W328 HydrophobicContact CD1-CD2 3.93Å; L296-W328 HydrophobicContact CD1-CE3 4.38Å; L296-W328 HydrophobicContact CD1-CG 3.98Å; L296-W328 HydrophobicContact CD2-CE3 4.22Å; L296-W328 HydrophobicContact CG-CD2 4.4Å; L296-W328 HydrophobicContact CG-CE3 4.4Å; L296-W328 VanDerWaalsContact O-CH2 3.31Å; L296-W328 WeakPolarHBondContact O-CH2 3.46Å; L296-W328 WeakPolarHBondContact O-CZ3 3.4Å; L296-F329 HydrophobicContact CD2-CE2 3.85Å |
| 297 | E | 95 | Very high | 91.6 | Very high | 68 Ų | 68 | 78.4 Ų | 78.4 | 32% | 0.318 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -41.8 | 176.3 | -165 | 70.2 | -165.2 | 0 | 0 | 111.8 | R293 L294 F300 Q301 R332 | R293-E297 WeakPolarHBondContact O-CB 3.46Å; R293-E297 PolarHBondContact O-N 2.94Å; L294-E297 PolarHBondContact O-N 2.98Å; E297-F300 WeakPolarHBondContact O-CB 3.44Å; E297-F300 PolarHBondContact O-N 3.09Å; E297-Q301 PolarHBondContact O-N 3.1Å; E297-R332 IonicContact OE1-CZ 3.32Å; E297-R332 IonicContact OE1-NE 3.94Å; E297-R332 PolarHBondContact OE1-NE 2.63Å; E297-R332 IonicContact OE1-NH2 2.61Å; E297-R332 PolarHBondContact OE1-NH2 2.9Å; E297-R332 WeakPolarHBondContact OE2-CD 3.47Å; E297-R332 IonicContact OE2-CZ 3.72Å; E297-R332 IonicContact OE2-NE 3.54Å; E297-R332 PolarHBondContact OE2-NE 2.89Å |
| 298 | K | 94.9 | Very high | 92.5 | Very high | 144 Ų | 144 | 77.4 Ų | 77.4 | 63% | 0.626 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -59.7 | -51.2 | 172.3 | -177.1 | 176.9 | 178.2 | 178.3 | 0 | 111.4 | L294 T295 F300 Q301 D302 | L294-K298 PolarHBondContact O-N 3.48Å; T295-K298 PolarHBondContact O-N 3.5Å; K298-F300 PolarHBondContact O-N 3.15Å; K298-Q301 WeakPolarHBondContact O-CA 3.23Å; K298-Q301 WeakPolarHBondContact O-CB 3.37Å; K298-Q301 PolarHBondContact O-N 3.35Å; K298-D302 PolarHBondContact O-N 2.91Å |
| 299 | R | 92.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 83 Ų | 83 | 37% | 0.37 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -61.1 | -30 | 177.6 | -68 | -62.5 | -162 | 176.4 | 8.6 | 112.9 | T295 L296 N303 I314 F329 | T295-R299 WeakPolarHBondContact O-CG 3.13Å; T295-R299 PolarHBondContact O-N 3.17Å; L296-R299 PolarHBondContact O-N 2.9Å; R299-N303 PolarHBondContact O-N 3.13Å; R299-N303 VanDerWaalsContact O-O 3.14Å; R299-I314 HydrophobicContact CB-CD1 4.14Å; R299-I314 HydrophobicContact CG-CD1 4.18Å; R299-I314 HydrophobicContact CG-CG1 4.37Å; R299-F329 HydrophobicContact CB-CZ 4.08Å |
| 300 | F | 94.6 | Very high | 93.3 | Very high | 5 Ų | 5 | 80.7 Ų | 80.7 | 2% | 0.022 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -70 | -34.7 | 173 | -177.6 | -92.4 | 0 | 0 | 0 | 112.9 | L296 E297 K298 N303 P304 W328 F329 R332 R333 E336 | L296-F300 WeakPolarHBondContact O-CB 3.48Å; L296-F300 PolarHBondContact O-N 3.36Å; E297-F300 WeakPolarHBondContact O-CB 3.44Å; E297-F300 PolarHBondContact O-N 3.09Å; K298-F300 PolarHBondContact O-N 3.15Å; F300-N303 CarbonylContact O-C 3.56Å; F300-P304 HydrophobicContact CD2-CB 4.17Å; F300-P304 HydrophobicContact CE1-CB 4.29Å; F300-P304 HydrophobicContact CE2-CB 3.7Å; F300-P304 HydrophobicContact CZ-CB 3.76Å; F300-W328 HydrophobicContact CB-CH2 3.94Å; F300-W328 HydrophobicContact CB-CZ3 3.96Å; F300-W328 HydrophobicContact CD2-CZ3 4.37Å; F300-W328 HydrophobicContact CG-CH2 4.43Å; F300-W328 HydrophobicContact CG-CZ3 4.45Å; F300-F329 HydrophobicContact CB-CE1 4.01Å; F300-F329 AromaticContact CD2-CD1 3.84Å; F300-F329 HydrophobicContact CD2-CD1 3.84Å; F300-F329 HydrophobicContact CD2-CE1 4.07Å; F300-R332 HydrophobicContact CB-CG 4.46Å; F300-R332 HydrophobicContact CD1-CG 3.82Å; F300-R332 HydrophobicContact CD2-CB 4.09Å; F300-R332 HydrophobicContact CD2-CG 3.59Å; F300-R332 HydrophobicContact CE1-CG 3.94Å; F300-R332 HydrophobicContact CE2-CB 4.1Å; F300-R332 HydrophobicContact CE2-CG 3.71Å; F300-R332 HydrophobicContact CG-CG 3.67Å; F300-R332 HydrophobicContact CZ-CG 3.89Å; F300-R333 HydrophobicContact CE2-CB 4.1Å; F300-R333 HydrophobicContact CZ-CB 4.43Å; F300-E336 VanDerWaalsContact CE1-OE1 3.24Å; F300-E336 WeakPolarHBondContact CE1-OE1 3.39Å; F300-E336 WeakPolarHBondContact CZ-OE1 3.47Å |
| 301 | Q | 92.9 | Very high | 93.5 | Very high | 152 Ų | 152 | 77.5 Ų | 77.5 | 71% | 0.71 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -69.9 | -36.1 | 173.9 | -160.6 | 65 | 75.2 | 0 | 0 | 111.7 | E297 K298 | E297-Q301 PolarHBondContact O-N 3.1Å; K298-Q301 WeakPolarHBondContact O-CA 3.23Å; K298-Q301 WeakPolarHBondContact O-CB 3.37Å; K298-Q301 PolarHBondContact O-N 3.35Å |
| 302 | D | 92.5 | Very high | 93.8 | Very high | 98 Ų | 98 | 74 Ų | 74 | 52% | 0.524 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -68.6 | -50.3 | 173.3 | -54.8 | -33 | 0 | 0 | 0 | 111.6 | K298 | K298-D302 PolarHBondContact O-N 2.91Å |
| 303 | N | 89.9 | Confident | 93.9 | Very high | 48 Ų | 48 | 78.4 Ų | 78.4 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | trans | -144.4 | 109.1 | 178.1 | -176 | -2.7 | 0 | 0 | 0 | 111.6 | R299 F300 K305 P306 E310 | R299-N303 PolarHBondContact O-N 3.13Å; R299-N303 VanDerWaalsContact O-O 3.14Å; F300-N303 CarbonylContact O-C 3.56Å; N303-K305 VanDerWaalsContact C-N 3.25Å; N303-K305 PolarHBondContact O-N 3.3Å; N303-K305 WeakPolarHBondContact OD1-CA 3.37Å; N303-K305 PolarHBondContact OD1-N 2.93Å; N303-K305 PolarHBondContact OD1-O 2.87Å; N303-P306 WeakPolarHBondContact ND2-CA 3.46Å; N303-P306 WeakPolarHBondContact O-CD 3.41Å; N303-E310 PolarHBondContact ND2-OE1 3.35Å | ||
| 304 | P | 90.6 | Very high | 94 | Very high | 54 Ų | 54 | 73.7 Ų | 73.7 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -79.4 | -1.4 | 178.9 | 31.1 | -35.6 | 0 | 0 | 0 | 114.5 | F300 R333 | F300-P304 HydrophobicContact CD2-CB 4.17Å; F300-P304 HydrophobicContact CE1-CB 4.29Å; F300-P304 HydrophobicContact CE2-CB 3.7Å; F300-P304 HydrophobicContact CZ-CB 3.76Å; P304-R333 PolarHBondContact O-NH1 3.4Å |
| 305 | K | 92.9 | Very high | 94.1 | Very high | 158 Ų | 158 | 68.5 Ų | 68.5 | 69% | 0.687 | 35% | 0.348 | S | S | * | . | S | Bend | trans | -138.6 | 63.1 | 176.8 | -63.3 | 179.8 | -174.1 | 169.1 | 0 | 111.2 | N303 | N303-K305 VanDerWaalsContact C-N 3.25Å; N303-K305 PolarHBondContact O-N 3.3Å; N303-K305 WeakPolarHBondContact OD1-CA 3.37Å; N303-K305 PolarHBondContact OD1-N 2.93Å; N303-K305 PolarHBondContact OD1-O 2.87Å |
| 306 | P | 92.9 | Very high | 94.2 | Very high | 15 Ų | 15 | 73.4 Ų | 73.4 | 10% | 0.097 | 37% | 0.367 | C | S | . | . | trans | -62 | 143.1 | 175.8 | 29.7 | -36.1 | 0 | 0 | 0 | 111 | N303 E310 I311 F329 | N303-P306 WeakPolarHBondContact ND2-CA 3.46Å; N303-P306 WeakPolarHBondContact O-CD 3.41Å; P306-E310 HydrophobicContact CB-CB 3.74Å; P306-I311 HydrophobicContact CB-CG1 3.94Å; P306-I311 HydrophobicContact CG-CD1 4.12Å; P306-I311 HydrophobicContact CG-CG1 3.69Å; P306-I311 WeakPolarHBondContact O-CD1 3.26Å; P306-F329 VanDerWaalsContact CD-CD1 3.48Å; P306-F329 HydrophobicContact CG-CD1 3.54Å; P306-F329 HydrophobicContact CG-CD2 4.06Å; P306-F329 HydrophobicContact CG-CE1 3.58Å; P306-F329 HydrophobicContact CG-CE2 4.11Å; P306-F329 HydrophobicContact CG-CG 3.8Å; P306-F329 HydrophobicContact CG-CZ 3.89Å | ||
| 307 | S | 95.7 | Very high | 94.1 | Very high | 50 Ų | 50 | 79.1 Ų | 79.1 | 35% | 0.35 | 39% | 0.393 | S | S | . | . | trans | -65.6 | 170 | 174.6 | 63.4 | 0 | 0 | 0 | 0 | 112.6 | E309 E310 I311 | S307-E309 PolarHBondContact O-N 3.37Å; S307-E310 WeakPolarHBondContact CB-OE2 2.99Å; S307-E310 PolarHBondContact N-OE2 3.1Å; S307-E310 PolarHBondContact O-N 3.31Å; S307-E310 WeakPolarHBondContact OG-CG 3.44Å; S307-E310 PolarHBondContact OG-N 3Å; S307-E310 PolarHBondContact OG-OE2 2.77Å; S307-I311 WeakPolarHBondContact O-CB 3.45Å; S307-I311 WeakPolarHBondContact O-CD1 3.47Å; S307-I311 WeakPolarHBondContact O-CG1 3.39Å; S307-I311 PolarHBondContact O-N 2.94Å | ||
| 308 | S | 95 | Very high | 94 | Very high | 80 Ų | 80 | 77 Ų | 77 | 56% | 0.559 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -59 | -28.9 | 174.4 | -173.1 | 0 | 0 | 0 | 0 | 112.5 | S312 K322 | S308-S312 PolarHBondContact O-N 3.01Å; S308-S312 PolarHBondContact O-OG 3Å; S308-K322 VanDerWaalsContact O-CE 3.27Å; S308-K322 WeakPolarHBondContact O-CE 3.47Å; S308-K322 PolarHBondContact O-NZ 2.91Å; S308-K322 PolarHBondContact OG-NZ 3.44Å |
| 309 | E | 95.8 | Very high | 93.9 | Very high | 147 Ų | 147 | 75.8 Ų | 75.8 | 69% | 0.687 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -78.2 | -52.5 | 179.3 | -173 | 166.2 | -159.3 | 0 | 0 | 111.1 | S307 I311 S312 M313 | S307-E309 PolarHBondContact O-N 3.37Å; E309-I311 VanDerWaalsContact C-N 3.28Å; E309-I311 PolarHBondContact O-N 3.13Å; E309-S312 WeakPolarHBondContact O-CA 3.2Å; E309-S312 WeakPolarHBondContact O-CB 3.32Å; E309-S312 PolarHBondContact O-N 3.2Å; E309-M313 PolarHBondContact O-N 2.86Å |
| 310 | E | 94.7 | Very high | 93.9 | Very high | 70 Ų | 70 | 72.6 Ų | 72.6 | 33% | 0.327 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -55.3 | -41.5 | 173.1 | -71.8 | 162.5 | 91.8 | 0 | 0 | 112.2 | N303 P306 S307 S312 M313 I314 | N303-E310 PolarHBondContact ND2-OE1 3.35Å; P306-E310 HydrophobicContact CB-CB 3.74Å; S307-E310 WeakPolarHBondContact CB-OE2 2.99Å; S307-E310 PolarHBondContact N-OE2 3.1Å; S307-E310 PolarHBondContact O-N 3.31Å; S307-E310 WeakPolarHBondContact OG-CG 3.44Å; S307-E310 PolarHBondContact OG-N 3Å; S307-E310 PolarHBondContact OG-OE2 2.77Å; E310-S312 PolarHBondContact O-N 3.35Å; E310-M313 PolarHBondContact O-N 3.27Å; E310-I314 WeakPolarHBondContact O-CB 3.4Å; E310-I314 WeakPolarHBondContact O-CD1 3.32Å; E310-I314 WeakPolarHBondContact O-CG1 3.29Å; E310-I314 PolarHBondContact O-N 3.45Å |
| 311 | I | 95.3 | Very high | 93.9 | Very high | 15 Ų | 15 | 78.5 Ų | 78.5 | 8% | 0.077 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -62.3 | -30.6 | 174.8 | -69.8 | 168.1 | 0 | 0 | 0 | 111.4 | P306 S307 E309 A315 K322 V325 R326 | P306-I311 HydrophobicContact CB-CG1 3.94Å; P306-I311 HydrophobicContact CG-CD1 4.12Å; P306-I311 HydrophobicContact CG-CG1 3.69Å; P306-I311 WeakPolarHBondContact O-CD1 3.26Å; S307-I311 WeakPolarHBondContact O-CB 3.45Å; S307-I311 WeakPolarHBondContact O-CD1 3.47Å; S307-I311 WeakPolarHBondContact O-CG1 3.39Å; S307-I311 PolarHBondContact O-N 2.94Å; E309-I311 VanDerWaalsContact C-N 3.28Å; E309-I311 PolarHBondContact O-N 3.13Å; I311-A315 WeakPolarHBondContact O-CB 3.34Å; I311-A315 PolarHBondContact O-N 3.14Å; I311-K322 HydrophobicContact CG2-CG 3.94Å; I311-V325 HydrophobicContact CG2-CB 4.27Å; I311-V325 HydrophobicContact CG2-CG1 4.06Å; I311-R326 HydrophobicContact CD1-CG 4.24Å; I311-R326 HydrophobicContact CG2-CB 4.09Å |
| 312 | S | 96.2 | Very high | 93.9 | Very high | 42 Ų | 42 | 75.4 Ų | 75.4 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -72.1 | -48.7 | 175 | -48.3 | 0 | 0 | 0 | 0 | 110.9 | S308 E309 E310 I314 A315 E316 K322 | S308-S312 PolarHBondContact O-N 3.01Å; S308-S312 PolarHBondContact O-OG 3Å; E309-S312 WeakPolarHBondContact O-CA 3.2Å; E309-S312 WeakPolarHBondContact O-CB 3.32Å; E309-S312 PolarHBondContact O-N 3.2Å; E310-S312 PolarHBondContact O-N 3.35Å; S312-I314 VanDerWaalsContact C-N 3.32Å; S312-I314 PolarHBondContact O-N 2.9Å; S312-A315 WeakPolarHBondContact O-CB 3.37Å; S312-A315 PolarHBondContact O-N 2.96Å; S312-A315 VanDerWaalsContact O-N 3.12Å; S312-E316 PolarHBondContact O-N 3.22Å; S312-K322 WeakPolarHBondContact OG-CE 2.99Å; S312-K322 PolarHBondContact OG-NZ 2.91Å |
| 313 | M | 95.5 | Very high | 94 | Very high | 123 Ų | 123 | 74.6 Ų | 74.6 | 61% | 0.606 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.2 | -40.9 | 177.3 | -62.4 | -178.5 | 76.3 | 0 | 0 | 112.1 | E309 E310 Q317 | E309-M313 PolarHBondContact O-N 2.86Å; E310-M313 PolarHBondContact O-N 3.27Å; M313-Q317 WeakPolarHBondContact O-CB 3.46Å; M313-Q317 PolarHBondContact O-N 3.16Å |
| 314 | I | 94.2 | Very high | 94.3 | Very high | 12 Ų | 12 | 73.6 Ų | 73.6 | 6% | 0.062 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -67.4 | -37.2 | 176.2 | -68 | 165.8 | 0 | 0 | 0 | 110.9 | L296 R299 E310 S312 L318 V325 F329 | L296-I314 HydrophobicContact CD2-CG2 3.74Å; R299-I314 HydrophobicContact CB-CD1 4.14Å; R299-I314 HydrophobicContact CG-CD1 4.18Å; R299-I314 HydrophobicContact CG-CG1 4.37Å; E310-I314 WeakPolarHBondContact O-CB 3.4Å; E310-I314 WeakPolarHBondContact O-CD1 3.32Å; E310-I314 WeakPolarHBondContact O-CG1 3.29Å; E310-I314 PolarHBondContact O-N 3.45Å; S312-I314 VanDerWaalsContact C-N 3.32Å; S312-I314 PolarHBondContact O-N 2.9Å; I314-L318 HydrophobicContact CG2-CD1 3.7Å; I314-L318 VanDerWaalsContact O-CB 3.31Å; I314-L318 WeakPolarHBondContact O-CB 3.12Å; I314-L318 WeakPolarHBondContact O-CD1 3.27Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.34Å; I314-L318 PolarHBondContact O-N 2.95Å; I314-L318 VanDerWaalsContact O-N 3.13Å; I314-V325 HydrophobicContact CB-CG1 4.36Å; I314-V325 HydrophobicContact CG2-CG1 3.81Å; I314-F329 HydrophobicContact CD1-CE2 4.26Å; I314-F329 HydrophobicContact CD1-CZ 4.13Å; I314-F329 HydrophobicContact CG2-CE2 4.48Å |
| 315 | A | 95.7 | Very high | 94.5 | Very high | 5 Ų | 5 | 71 Ų | 71 | 4% | 0.041 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I311 S312 L318 S319 M320 K322 V325 | I311-A315 WeakPolarHBondContact O-CB 3.34Å; I311-A315 PolarHBondContact O-N 3.14Å; S312-A315 WeakPolarHBondContact O-CB 3.37Å; S312-A315 PolarHBondContact O-N 2.96Å; S312-A315 VanDerWaalsContact O-N 3.12Å; A315-L318 CarbonylContact O-C 3.6Å; A315-L318 PolarHBondContact O-N 3.31Å; A315-S319 PolarHBondContact O-N 3.11Å; A315-M320 WeakPolarHBondContact CB-O 3.46Å; A315-M320 PolarHBondContact O-N 3.5Å; A315-K322 HydrophobicContact CB-CB 4.28Å; A315-V325 HydrophobicContact CB-CB 4.43Å; A315-V325 HydrophobicContact CB-CG2 3.87Å |
| 316 | E | 95.6 | Very high | 94.6 | Very high | 158 Ų | 158 | 68.6 Ų | 68.6 | 74% | 0.738 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63.6 | -50.7 | 174.3 | -175.3 | 170.5 | -145.1 | 0 | 0 | 111.7 | S312 L318 S319 | S312-E316 PolarHBondContact O-N 3.22Å; E316-L318 PolarHBondContact O-N 3.11Å; E316-L318 VanDerWaalsContact O-N 3.09Å; E316-S319 PolarHBondContact O-N 2.84Å |
| 317 | Q | 94.1 | Very high | 94.8 | Very high | 120 Ų | 120 | 70.5 Ų | 70.5 | 56% | 0.561 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -57.1 | -27.4 | 177.3 | -177.7 | 170.9 | 36.5 | 0 | 0 | 113.3 | M313 | M313-Q317 WeakPolarHBondContact O-CB 3.46Å; M313-Q317 PolarHBondContact O-N 3.16Å |
| 318 | L | 92.6 | Very high | 94.7 | Very high | 24 Ų | 24 | 69.9 Ų | 69.9 | 13% | 0.126 | 36% | 0.355 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104 | 3.5 | 179.6 | -62.7 | 172.4 | 0 | 0 | 0 | 113.6 | I292 T295 L296 I314 A315 E316 M320 | I292-L318 HydrophobicContact CG2-CB 4.4Å; I292-L318 HydrophobicContact CG2-CD1 4.13Å; I292-L318 HydrophobicContact CG2-CD2 4.36Å; T295-L318 HydrophobicContact CG2-CD2 3.9Å; L296-L318 HydrophobicContact CD1-CD1 4.45Å; L296-L318 HydrophobicContact CD2-CD1 3.62Å; L296-L318 HydrophobicContact CG-CD1 3.73Å; I314-L318 HydrophobicContact CG2-CD1 3.7Å; I314-L318 VanDerWaalsContact O-CB 3.31Å; I314-L318 WeakPolarHBondContact O-CB 3.12Å; I314-L318 WeakPolarHBondContact O-CD1 3.27Å; I314-L318 VanDerWaalsContact O-CG 3.24Å; I314-L318 WeakPolarHBondContact O-CG 3.34Å; I314-L318 PolarHBondContact O-N 2.95Å; I314-L318 VanDerWaalsContact O-N 3.13Å; A315-L318 CarbonylContact O-C 3.6Å; A315-L318 PolarHBondContact O-N 3.31Å; E316-L318 PolarHBondContact O-N 3.11Å; E316-L318 VanDerWaalsContact O-N 3.09Å; L318-M320 HydrophobicContact CB-CB 4.5Å; L318-M320 HydrophobicContact CB-CG 3.85Å; L318-M320 HydrophobicContact CB-SD 4.4Å; L318-M320 WeakPolarHBondContact O-CG 3.19Å; L318-M320 PolarHBondContact O-N 3.2Å |
| 319 | S | 93.3 | Very high | 94.8 | Very high | 118 Ų | 118 | 66.2 Ų | 66.2 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.9 | 41.5 | -173.1 | -63.6 | 0 | 0 | 0 | 0 | 113.4 | A315 E316 | A315-S319 PolarHBondContact O-N 3.11Å; E316-S319 PolarHBondContact O-N 2.84Å |
| 320 | M | 92.4 | Very high | 94.7 | Very high | 31 Ų | 31 | 60.9 Ų | 60.9 | 15% | 0.153 | 31% | 0.308 | C | S | . | . | trans | -110.3 | 158.3 | -179 | -66.2 | -160.7 | 83.9 | 0 | 0 | 112.5 | I288 I292 L296 A315 L318 K322 V324 V325 | I288-M320 HydrophobicContact CD1-CE 4.37Å; I288-M320 HydrophobicContact CG1-CE 3.97Å; I288-M320 HydrophobicContact CG2-CE 4.16Å; I288-M320 HydrophobicContact CG2-SD 4.44Å; I292-M320 HydrophobicContact CG2-CE 4.45Å; I292-M320 HydrophobicContact CG2-CG 4.34Å; I292-M320 HydrophobicContact CG2-SD 3.43Å; I292-M320 WeakPolarHBondContact CG2-SD 3.45Å; L296-M320 HydrophobicContact CD1-SD 4.4Å; A315-M320 WeakPolarHBondContact CB-O 3.46Å; A315-M320 PolarHBondContact O-N 3.5Å; L318-M320 HydrophobicContact CB-CB 4.5Å; L318-M320 HydrophobicContact CB-CG 3.85Å; L318-M320 HydrophobicContact CB-SD 4.4Å; L318-M320 WeakPolarHBondContact O-CG 3.19Å; L318-M320 PolarHBondContact O-N 3.2Å; M320-K322 PolarHBondContact O-N 3.43Å; M320-V324 HydrophobicContact CE-CB 4.26Å; M320-V324 HydrophobicContact CE-CG1 3.5Å; M320-V324 VanDerWaalsContact CE-CG1 3.5Å; M320-V325 HydrophobicContact CB-CG2 3.85Å; M320-V325 HydrophobicContact SD-CG2 4.07Å | ||
| 321 | E | 93.3 | Very high | 94.7 | Very high | 128 Ų | 128 | 61.3 Ų | 61.3 | 60% | 0.598 | 31% | 0.312 | S | S | * | . | trans | -66.3 | 129.6 | 166.3 | -175 | -176.2 | -175.2 | 0 | 0 | 110.8 | E323 V324 V325 | E321-E323 HydrophobicContact CG-CB 4.17Å; E321-E323 PolarHBondContact O-N 3.23Å; E321-E323 VanDerWaalsContact O-N 3.12Å; E321-V324 HydrophobicContact CB-CB 4.43Å; E321-V324 HydrophobicContact CB-CG2 4Å; E321-V324 WeakPolarHBondContact O-CB 3.42Å; E321-V324 PolarHBondContact O-N 3.25Å; E321-V325 PolarHBondContact O-N 3.34Å | ||
| 322 | K | 94.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 62.5 Ų | 62.5 | 38% | 0.378 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -49.3 | -39 | 177.9 | -174.7 | 177.3 | 174.8 | 165.3 | 0 | 113.1 | S308 I311 S312 A315 M320 V325 R326 | S308-K322 VanDerWaalsContact O-CE 3.27Å; S308-K322 WeakPolarHBondContact O-CE 3.47Å; S308-K322 PolarHBondContact O-NZ 2.91Å; S308-K322 PolarHBondContact OG-NZ 3.44Å; I311-K322 HydrophobicContact CG2-CG 3.94Å; S312-K322 WeakPolarHBondContact OG-CE 2.99Å; S312-K322 PolarHBondContact OG-NZ 2.91Å; A315-K322 HydrophobicContact CB-CB 4.28Å; M320-K322 PolarHBondContact O-N 3.43Å; K322-V325 PolarHBondContact O-N 3.13Å; K322-R326 WeakPolarHBondContact O-CB 3.3Å; K322-R326 PolarHBondContact O-N 3.43Å |
| 323 | E | 94.4 | Very high | 94.5 | Very high | 82 Ų | 82 | 63.8 Ų | 63.8 | 38% | 0.383 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -66.9 | -38.5 | 178 | 179 | 57.8 | -166.9 | 0 | 0 | 112.6 | E321 R326 V327 | E321-E323 HydrophobicContact CG-CB 4.17Å; E321-E323 PolarHBondContact O-N 3.23Å; E321-E323 VanDerWaalsContact O-N 3.12Å; E323-R326 PolarHBondContact O-N 3.21Å; E323-R326 IonicContact OE1-CZ 3.13Å; E323-R326 IonicContact OE1-NE 3.59Å; E323-R326 IonicContact OE1-NH2 2.81Å; E323-R326 PolarHBondContact OE1-NH2 2.92Å; E323-R326 IonicContact OE2-CZ 2.88Å; E323-R326 IonicContact OE2-NE 3.39Å; E323-R326 PolarHBondContact OE2-NE 3.18Å; E323-R326 IonicContact OE2-NH2 2.65Å; E323-R326 PolarHBondContact OE2-NH2 3.46Å; E323-V327 HydrophobicContact CG-CG2 4.4Å; E323-V327 VanDerWaalsContact O-CB 3.31Å; E323-V327 WeakPolarHBondContact O-CB 3.47Å; E323-V327 VanDerWaalsContact O-CG2 3.26Å; E323-V327 WeakPolarHBondContact O-CG2 3.4Å; E323-V327 PolarHBondContact O-N 2.78Å; E323-V327 VanDerWaalsContact OE1-CG2 3.27Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.2Å |
| 324 | V | 94.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 62.5 Ų | 62.5 | 16% | 0.158 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 177.1 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | T286 I288 M320 E321 W328 | T286-V324 HydrophobicContact CG2-CG1 4.39Å; I288-V324 HydrophobicContact CD1-CG1 4.21Å; I288-V324 HydrophobicContact CG1-CG1 4.43Å; M320-V324 HydrophobicContact CE-CB 4.26Å; M320-V324 HydrophobicContact CE-CG1 3.5Å; M320-V324 VanDerWaalsContact CE-CG1 3.5Å; E321-V324 HydrophobicContact CB-CB 4.43Å; E321-V324 HydrophobicContact CB-CG2 4Å; E321-V324 WeakPolarHBondContact O-CB 3.42Å; E321-V324 PolarHBondContact O-N 3.25Å; V324-W328 WeakPolarHBondContact O-CB 3.37Å; V324-W328 PolarHBondContact O-N 2.88Å |
| 325 | V | 95.3 | Very high | 93.9 | Very high | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -63.6 | -49.3 | 174 | 179 | 0 | 0 | 0 | 0 | 110.6 | L296 I311 I314 A315 M320 E321 K322 V327 W328 F329 | L296-V325 HydrophobicContact CD2-CG1 4.04Å; I311-V325 HydrophobicContact CG2-CB 4.27Å; I311-V325 HydrophobicContact CG2-CG1 4.06Å; I314-V325 HydrophobicContact CB-CG1 4.36Å; I314-V325 HydrophobicContact CG2-CG1 3.81Å; A315-V325 HydrophobicContact CB-CB 4.43Å; A315-V325 HydrophobicContact CB-CG2 3.87Å; M320-V325 HydrophobicContact CB-CG2 3.85Å; M320-V325 HydrophobicContact SD-CG2 4.07Å; E321-V325 PolarHBondContact O-N 3.34Å; K322-V325 PolarHBondContact O-N 3.13Å; V325-V327 VanDerWaalsContact C-N 3.34Å; V325-V327 PolarHBondContact O-N 3.17Å; V325-W328 WeakPolarHBondContact O-CB 3.34Å; V325-W328 PolarHBondContact O-N 2.72Å; V325-W328 VanDerWaalsContact O-N 3.09Å; V325-F329 HydrophobicContact CG1-CD2 3.85Å; V325-F329 HydrophobicContact CG1-CE2 3.83Å; V325-F329 WeakPolarHBondContact O-CD2 3.42Å; V325-F329 PolarHBondContact O-N 2.92Å |
| 326 | R | 96.3 | Very high | 93.6 | Very high | 108 Ų | 108 | 70.1 Ų | 70.1 | 41% | 0.408 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.6 | -46.3 | 177.1 | -167.9 | -167.2 | 70.4 | 79.4 | 2 | 112.3 | I311 K322 E323 F329 C330 | I311-R326 HydrophobicContact CD1-CG 4.24Å; I311-R326 HydrophobicContact CG2-CB 4.09Å; K322-R326 WeakPolarHBondContact O-CB 3.3Å; K322-R326 PolarHBondContact O-N 3.43Å; E323-R326 PolarHBondContact O-N 3.21Å; E323-R326 IonicContact OE1-CZ 3.13Å; E323-R326 IonicContact OE1-NE 3.59Å; E323-R326 IonicContact OE1-NH2 2.81Å; E323-R326 PolarHBondContact OE1-NH2 2.92Å; E323-R326 IonicContact OE2-CZ 2.88Å; E323-R326 IonicContact OE2-NE 3.39Å; E323-R326 PolarHBondContact OE2-NE 3.18Å; E323-R326 IonicContact OE2-NH2 2.65Å; E323-R326 PolarHBondContact OE2-NH2 3.46Å; R326-F329 PolarHBondContact O-N 3.03Å; R326-C330 PolarHBondContact O-N 2.96Å; R326-C330 VanDerWaalsContact O-N 3.1Å; R326-C330 PolarHBondContact O-SG 2.88Å |
| 327 | V | 95.4 | Very high | 93 | Very high | 54 Ų | 54 | 70 Ų | 70 | 33% | 0.327 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -67 | -36.7 | 176.9 | 168.6 | 0 | 0 | 0 | 0 | 111.5 | E323 V325 C330 N331 | E323-V327 HydrophobicContact CG-CG2 4.4Å; E323-V327 VanDerWaalsContact O-CB 3.31Å; E323-V327 WeakPolarHBondContact O-CB 3.47Å; E323-V327 VanDerWaalsContact O-CG2 3.26Å; E323-V327 WeakPolarHBondContact O-CG2 3.4Å; E323-V327 PolarHBondContact O-N 2.78Å; E323-V327 VanDerWaalsContact OE1-CG2 3.27Å; E323-V327 WeakPolarHBondContact OE1-CG2 3.2Å; V325-V327 VanDerWaalsContact C-N 3.34Å; V325-V327 PolarHBondContact O-N 3.17Å; V327-C330 PolarHBondContact O-N 3.17Å; V327-N331 WeakPolarHBondContact CG1-ND2 3.49Å; V327-N331 WeakPolarHBondContact O-CB 3.45Å; V327-N331 VanDerWaalsContact O-CG 3.29Å; V327-N331 PolarHBondContact O-N 2.69Å; V327-N331 PolarHBondContact O-ND2 2.73Å |
| 328 | W | 95.6 | Very high | 92.4 | Very high | 37 Ų | 37 | 72.4 Ų | 72.4 | 14% | 0.14 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.2 | -50.7 | 173.6 | -175.8 | 94 | 0 | 0 | 0 | 111.5 | I288 L296 F300 V324 V325 C330 N331 R332 | I288-W328 HydrophobicContact CD1-CB 4.41Å; I288-W328 HydrophobicContact CD1-CG 4.27Å; L296-W328 VanDerWaalsContact C-CH2 3.41Å; L296-W328 HydrophobicContact CB-CD2 3.99Å; L296-W328 HydrophobicContact CB-CE3 3.89Å; L296-W328 HydrophobicContact CB-CH2 3.72Å; L296-W328 HydrophobicContact CB-CZ2 3.77Å; L296-W328 HydrophobicContact CB-CZ3 3.77Å; L296-W328 HydrophobicContact CD1-CD2 3.93Å; L296-W328 HydrophobicContact CD1-CE3 4.38Å; L296-W328 HydrophobicContact CD1-CG 3.98Å; L296-W328 HydrophobicContact CD2-CE3 4.22Å; L296-W328 HydrophobicContact CG-CD2 4.4Å; L296-W328 HydrophobicContact CG-CE3 4.4Å; L296-W328 VanDerWaalsContact O-CH2 3.31Å; L296-W328 WeakPolarHBondContact O-CH2 3.46Å; L296-W328 WeakPolarHBondContact O-CZ3 3.4Å; F300-W328 HydrophobicContact CB-CH2 3.94Å; F300-W328 HydrophobicContact CB-CZ3 3.96Å; F300-W328 HydrophobicContact CD2-CZ3 4.37Å; F300-W328 HydrophobicContact CG-CH2 4.43Å; F300-W328 HydrophobicContact CG-CZ3 4.45Å; V324-W328 WeakPolarHBondContact O-CB 3.37Å; V324-W328 PolarHBondContact O-N 2.88Å; V325-W328 WeakPolarHBondContact O-CB 3.34Å; V325-W328 PolarHBondContact O-N 2.72Å; V325-W328 VanDerWaalsContact O-N 3.09Å; W328-C330 VanDerWaalsContact C-N 3.28Å; W328-C330 PolarHBondContact O-N 2.93Å; W328-N331 CarbonylContact O-C 3.36Å; W328-N331 PolarHBondContact O-N 3.44Å; W328-N331 VanDerWaalsContact O-N 3.1Å; W328-R332 HydrophobicContact CD2-CB 4.43Å; W328-R332 HydrophobicContact CE3-CB 4.21Å; W328-R332 HydrophobicContact CH2-CB 3.87Å; W328-R332 HydrophobicContact CH2-CG 3.6Å; W328-R332 HydrophobicContact CZ2-CB 4.14Å; W328-R332 HydrophobicContact CZ2-CG 4.03Å; W328-R332 HydrophobicContact CZ3-CB 3.92Å; W328-R332 HydrophobicContact CZ3-CG 4.04Å; W328-R332 WeakPolarHBondContact O-CB 3.4Å; W328-R332 PolarHBondContact O-N 2.81Å |
| 329 | F | 96 | Very high | 91.7 | Very high | 3 Ų | 3 | 76.2 Ų | 76.2 | 1% | 0.013 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -37.2 | 177.9 | -87.2 | -87.6 | 0 | 0 | 0 | 112.3 | L296 R299 F300 P306 I314 V325 R326 R333 | L296-F329 HydrophobicContact CD2-CE2 3.85Å; R299-F329 HydrophobicContact CB-CZ 4.08Å; F300-F329 HydrophobicContact CB-CE1 4.01Å; F300-F329 AromaticContact CD2-CD1 3.84Å; F300-F329 HydrophobicContact CD2-CD1 3.84Å; F300-F329 HydrophobicContact CD2-CE1 4.07Å; P306-F329 VanDerWaalsContact CD-CD1 3.48Å; P306-F329 HydrophobicContact CG-CD1 3.54Å; P306-F329 HydrophobicContact CG-CD2 4.06Å; P306-F329 HydrophobicContact CG-CE1 3.58Å; P306-F329 HydrophobicContact CG-CE2 4.11Å; P306-F329 HydrophobicContact CG-CG 3.8Å; P306-F329 HydrophobicContact CG-CZ 3.89Å; I314-F329 HydrophobicContact CD1-CE2 4.26Å; I314-F329 HydrophobicContact CD1-CZ 4.13Å; I314-F329 HydrophobicContact CG2-CE2 4.48Å; V325-F329 HydrophobicContact CG1-CD2 3.85Å; V325-F329 HydrophobicContact CG1-CE2 3.83Å; V325-F329 WeakPolarHBondContact O-CD2 3.42Å; V325-F329 PolarHBondContact O-N 2.92Å; R326-F329 PolarHBondContact O-N 3.03Å; F329-R333 WeakPolarHBondContact O-CB 3.1Å; F329-R333 PolarHBondContact O-N 3.49Å; F329-R333 VanDerWaalsContact O-N 3.12Å |
| 330 | C | 93.6 | Very high | 90.6 | Very high | 36 Ų | 36 | 76.3 Ų | 76.3 | 24% | 0.243 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.1 | -45.2 | 173.9 | -68.2 | 0 | 0 | 0 | 0 | 112.1 | R326 V327 W328 Q334 | R326-C330 PolarHBondContact O-N 2.96Å; R326-C330 VanDerWaalsContact O-N 3.1Å; R326-C330 PolarHBondContact O-SG 2.88Å; V327-C330 PolarHBondContact O-N 3.17Å; W328-C330 VanDerWaalsContact C-N 3.28Å; W328-C330 PolarHBondContact O-N 2.93Å; C330-Q334 WeakPolarHBondContact O-CG 3.43Å; C330-Q334 PolarHBondContact O-N 3.16Å; C330-Q334 VanDerWaalsContact O-N 3.09Å |
| 331 | N | 94.6 | Very high | 88.7 | Confident | 78 Ų | 78 | 79.2 Ų | 79.2 | 42% | 0.417 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -67.9 | -37.2 | 177.2 | -73.3 | -38.8 | 0 | 0 | 0 | 112.6 | V327 W328 Q334 K335 | V327-N331 WeakPolarHBondContact CG1-ND2 3.49Å; V327-N331 WeakPolarHBondContact O-CB 3.45Å; V327-N331 VanDerWaalsContact O-CG 3.29Å; V327-N331 PolarHBondContact O-N 2.69Å; V327-N331 PolarHBondContact O-ND2 2.73Å; W328-N331 CarbonylContact O-C 3.36Å; W328-N331 PolarHBondContact O-N 3.44Å; W328-N331 VanDerWaalsContact O-N 3.1Å; N331-Q334 PolarHBondContact O-N 2.89Å; N331-K335 PolarHBondContact O-N 3.43Å |
| 332 | R | 94.3 | Very high | 86.9 | Confident | 41 Ų | 41 | 78.5 Ų | 78.5 | 16% | 0.155 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -66.9 | -42.8 | 179.8 | -177.1 | 62 | -171 | 73.5 | 1.7 | 112 | E297 F300 W328 K335 E336 | E297-R332 IonicContact OE1-CZ 3.32Å; E297-R332 IonicContact OE1-NE 3.94Å; E297-R332 PolarHBondContact OE1-NE 2.63Å; E297-R332 IonicContact OE1-NH2 2.61Å; E297-R332 PolarHBondContact OE1-NH2 2.9Å; E297-R332 WeakPolarHBondContact OE2-CD 3.47Å; E297-R332 IonicContact OE2-CZ 3.72Å; E297-R332 IonicContact OE2-NE 3.54Å; E297-R332 PolarHBondContact OE2-NE 2.89Å; F300-R332 HydrophobicContact CB-CG 4.46Å; F300-R332 HydrophobicContact CD1-CG 3.82Å; F300-R332 HydrophobicContact CD2-CB 4.09Å; F300-R332 HydrophobicContact CD2-CG 3.59Å; F300-R332 HydrophobicContact CE1-CG 3.94Å; F300-R332 HydrophobicContact CE2-CB 4.1Å; F300-R332 HydrophobicContact CE2-CG 3.71Å; F300-R332 HydrophobicContact CG-CG 3.67Å; F300-R332 HydrophobicContact CZ-CG 3.89Å; W328-R332 HydrophobicContact CD2-CB 4.43Å; W328-R332 HydrophobicContact CE3-CB 4.21Å; W328-R332 HydrophobicContact CH2-CB 3.87Å; W328-R332 HydrophobicContact CH2-CG 3.6Å; W328-R332 HydrophobicContact CZ2-CB 4.14Å; W328-R332 HydrophobicContact CZ2-CG 4.03Å; W328-R332 HydrophobicContact CZ3-CB 3.92Å; W328-R332 HydrophobicContact CZ3-CG 4.04Å; W328-R332 WeakPolarHBondContact O-CB 3.4Å; W328-R332 PolarHBondContact O-N 2.81Å; R332-K335 WeakPolarHBondContact O-CB 3.45Å; R332-K335 PolarHBondContact O-N 3.33Å; R332-E336 PolarHBondContact O-N 3Å |
| 333 | R | 92.6 | Very high | 84.7 | Confident | 69 Ų | 69 | 80.1 Ų | 80.1 | 26% | 0.26 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.5 | -32.6 | 173.3 | -171.3 | 169.9 | 57 | -105.6 | -4.4 | 112.9 | F300 P304 F329 K337 | F300-R333 HydrophobicContact CE2-CB 4.1Å; F300-R333 HydrophobicContact CZ-CB 4.43Å; P304-R333 PolarHBondContact O-NH1 3.4Å; F329-R333 WeakPolarHBondContact O-CB 3.1Å; F329-R333 PolarHBondContact O-N 3.49Å; F329-R333 VanDerWaalsContact O-N 3.12Å; R333-K337 WeakPolarHBondContact O-CG 3.47Å; R333-K337 PolarHBondContact O-N 2.82Å |
| 334 | Q | 88.6 | Confident | 82.5 | Confident | 96 Ų | 96 | 81 Ų | 81 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -69.3 | -37.6 | 169.3 | -75 | -179.1 | 26.1 | 0 | 0 | 112.6 | C330 N331 R338 | C330-Q334 WeakPolarHBondContact O-CG 3.43Å; C330-Q334 PolarHBondContact O-N 3.16Å; C330-Q334 VanDerWaalsContact O-N 3.09Å; N331-Q334 PolarHBondContact O-N 2.89Å; Q334-R338 PolarHBondContact O-N 3.47Å; Q334-R338 PolarHBondContact O-NH1 3.26Å |
| 335 | K | 89.1 | Confident | 80.2 | Confident | 118 Ų | 118 | 84.5 Ų | 84.5 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.4 | -48.6 | 176.8 | -173.3 | -169.9 | 174.2 | -167.1 | 0 | 110.6 | N331 R332 K337 R338 I339 | N331-K335 PolarHBondContact O-N 3.43Å; R332-K335 WeakPolarHBondContact O-CB 3.45Å; R332-K335 PolarHBondContact O-N 3.33Å; K335-K337 PolarHBondContact O-N 2.94Å; K335-R338 PolarHBondContact O-N 2.68Å; K335-R338 VanDerWaalsContact O-N 3.13Å; K335-I339 HydrophobicContact CD-CD1 4.46Å; K335-I339 HydrophobicContact CG-CD1 3.98Å; K335-I339 PolarHBondContact O-N 2.84Å |
| 336 | E | 89.1 | Confident | 77.9 | Confident | 58 Ų | 58 | 90.7 Ų | 90.7 | 27% | 0.271 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -50.8 | -55.8 | 173.4 | -179.2 | 178 | -103.9 | 0 | 0 | 112 | F300 R332 R338 I339 N340 | F300-E336 VanDerWaalsContact CE1-OE1 3.24Å; F300-E336 WeakPolarHBondContact CE1-OE1 3.39Å; F300-E336 WeakPolarHBondContact CZ-OE1 3.47Å; R332-E336 PolarHBondContact O-N 3Å; E336-R338 PolarHBondContact O-N 3.32Å; E336-I339 PolarHBondContact O-N 2.68Å; E336-N340 WeakPolarHBondContact CG-OD1 3.42Å; E336-N340 PolarHBondContact O-N 3.41Å; E336-N340 PolarHBondContact O-OD1 3.17Å |
| 337 | K | 84.6 | Confident | 75.5 | Confident | 156 Ų | 156 | 93 Ų | 93 | 68% | 0.678 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59.3 | -17.6 | 179.6 | -75.3 | -167.1 | 171 | -156.2 | 0 | 115.5 | R333 K335 C341 | R333-K337 WeakPolarHBondContact O-CG 3.47Å; R333-K337 PolarHBondContact O-N 2.82Å; K335-K337 PolarHBondContact O-N 2.94Å; K337-C341 WeakPolarHBondContact O-CB 3.31Å |
| 338 | R | 81.4 | Confident | 73.1 | Confident | 170 Ų | 170 | 99 Ų | 99 | 64% | 0.642 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -89.7 | -19.1 | 171.9 | -64.6 | -171 | -151.4 | 88.8 | 1.4 | 113.9 | Q334 K335 E336 | Q334-R338 PolarHBondContact O-N 3.47Å; Q334-R338 PolarHBondContact O-NH1 3.26Å; K335-R338 PolarHBondContact O-N 2.68Å; K335-R338 VanDerWaalsContact O-N 3.13Å; E336-R338 PolarHBondContact O-N 3.32Å |
| 339 | I | 77.6 | Confident | 70.6 | Confident | 104 Ų | 104 | 102.5 Ų | 102.5 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -93 | -45 | 178.8 | -64.7 | 169.5 | 0 | 0 | 0 | 109.4 | K335 E336 C341 | K335-I339 HydrophobicContact CD-CD1 4.46Å; K335-I339 HydrophobicContact CG-CD1 3.98Å; K335-I339 PolarHBondContact O-N 2.84Å; E336-I339 PolarHBondContact O-N 2.68Å; I339-C341 PolarHBondContact O-N 3.03Å |
| 340 | N | 70.1 | Confident | 68.1 | Low | 121 Ų | 121 | 108.3 Ų | 108.3 | 65% | 0.647 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -80 | 14 | 179.5 | -61.2 | 82 | 0 | 0 | 0 | 113.8 | E336 P342 | E336-N340 WeakPolarHBondContact CG-OD1 3.42Å; E336-N340 PolarHBondContact O-N 3.41Å; E336-N340 PolarHBondContact O-OD1 3.17Å; N340-P342 VanDerWaalsContact C-CD 3.43Å |
| 341 | C | 52.8 | Low | 65.7 | Low | 92 Ų | 92 | 112.5 Ų | 112.5 | 62% | 0.622 | 61% | 0.61 | S | S | * | * | trans | -126.6 | 68 | 171.2 | -166.5 | 0 | 0 | 0 | 0 | 111.7 | K337 I339 V343 | K337-C341 WeakPolarHBondContact O-CB 3.31Å; I339-C341 PolarHBondContact O-N 3.03Å; C341-V343 PolarHBondContact O-N 2.79Å | ||
| 342 | P | 54.7 | Low | 63.1 | Low | 112 Ų | 112 | 118.5 Ų | 118.5 | 73% | 0.727 | 63% | 0.628 | S | S | * | * | trans | -98.9 | 54.9 | -175.3 | 41.1 | -36.5 | 0 | 0 | 0 | 113 | N340 | N340-P342 VanDerWaalsContact C-CD 3.43Š| ||
| 343 | V | 48.3 | Very low | 60.5 | Low | 121 Ų | 121 | 122.2 Ų | 122.2 | 73% | 0.733 | 65% | 0.651 | S | S | * | * | trans | -156.7 | 110.9 | 153.9 | 129.5 | 0 | 0 | 0 | 0 | 110.9 | C341 | C341-V343 PolarHBondContact O-N 2.79Š| ||
| 344 | A | 48.3 | Very low | 58.1 | Low | 100 Ų | 100 | 123.3 Ų | 123.3 | 83% | 0.826 | 67% | 0.669 | S | S | * | * | trans | -144.6 | 80.6 | 153.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 345 | T | 46.5 | Very low | 55.9 | Low | 101 Ų | 101 | 129.3 Ų | 129.3 | 62% | 0.62 | 69% | 0.688 | S | S | * | * | trans | -58.2 | 141.7 | 178.3 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | I347 | T345-I347 PolarHBondContact O-N 3.18Š| ||
| 346 | P | 46.7 | Very low | 53.9 | Low | 130 Ų | 130 | 131.9 Ų | 131.9 | 84% | 0.844 | 71% | 0.706 | S | S | * | * | trans | -65.2 | 101 | 178.3 | 26.8 | -33.6 | 0 | 0 | 0 | 109.8 | K348 | P346-K348 PolarHBondContact O-N 2.63Š| ||
| 347 | I | 46.3 | Very low | 51.5 | Low | 157 Ų | 157 | 135.4 Ų | 135.4 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 125.8 | 173.8 | -62.3 | 178.2 | 0 | 0 | 0 | 107.3 | T345 | T345-I347 PolarHBondContact O-N 3.18Š|
| 348 | K | 45.4 | Very low | 48.9 | Very low | 178 Ų | 178 | 133.5 Ų | 133.5 | 77% | 0.774 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 144.8 | 176.5 | -62.5 | 176.8 | -178.9 | 178.6 | 0 | 109.7 | P346 | P346-K348 PolarHBondContact O-N 2.63Š|
| 349 | P | 42.4 | Very low | 47.3 | Very low | 111 Ų | 111 | 131.1 Ų | 131.1 | 72% | 0.721 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 139.6 | 178.5 | 24.4 | -34.2 | 0 | 0 | 0 | 110.6 | V351 | P349-V351 PolarHBondContact O-N 2.64Š|
| 350 | P | 43.4 | Very low | 45.4 | Very low | 125 Ų | 125 | 132.5 Ų | 132.5 | 81% | 0.812 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 118 | -176.1 | 26.8 | -33.8 | 0 | 0 | 0 | 110.5 | Y352 | P350-Y352 PolarHBondContact O-N 2.88Š|
| 351 | V | 42.9 | Very low | 43.7 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | -70.8 | 103.3 | 176.2 | 179.7 | 0 | 0 | 0 | 0 | 109.2 | P349 N353 | P349-V351 PolarHBondContact O-N 2.64Å; V351-N353 PolarHBondContact O-N 2.94Å; V351-N353 PolarHBondContact O-ND2 3.37Å | ||
| 352 | Y | 41 | Very low | 43 | Very low | 204 Ų | 204 | 131.3 Ų | 131.3 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | trans | -63.9 | 98.9 | -178 | -164.6 | -86.1 | 0 | 0 | 0 | 111 | P350 S354 | P350-Y352 PolarHBondContact O-N 2.88Å; Y352-S354 WeakPolarHBondContact CD1-OG 3.29Å; Y352-S354 WeakPolarHBondContact CE1-OG 3.45Å; Y352-S354 PolarHBondContact O-N 3.43Å | ||
| 353 | N | 39.4 | Very low | 42.2 | Very low | 120 Ų | 120 | 134.2 Ų | 134.2 | 64% | 0.642 | 79% | 0.785 | S | S | * | * | trans | -84.5 | 88.5 | 176.5 | -93.4 | -102.7 | 0 | 0 | 0 | 110.2 | V351 R355 | V351-N353 PolarHBondContact O-N 2.94Å; V351-N353 PolarHBondContact O-ND2 3.37Å; N353-R355 PolarHBondContact O-N 2.78Å; N353-R355 VanDerWaalsContact O-N 3.11Å | ||
| 354 | S | 41.9 | Very low | 41.6 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -60.4 | 111.1 | 165.9 | -64.5 | 0 | 0 | 0 | 0 | 110 | Y352 | Y352-S354 WeakPolarHBondContact CD1-OG 3.29Å; Y352-S354 WeakPolarHBondContact CE1-OG 3.45Å; Y352-S354 PolarHBondContact O-N 3.43Å | ||
| 355 | R | 42.3 | Very low | 41.6 | Very low | 223 Ų | 223 | 133.1 Ų | 133.1 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | trans | -110.8 | 127.6 | 162.3 | -72.2 | -171.6 | -180 | -102 | -3.1 | 108.9 | N353 | N353-R355 PolarHBondContact O-N 2.78Å; N353-R355 VanDerWaalsContact O-N 3.11Å | ||
| 356 | L | 46.3 | Very low | 41.3 | Very low | 171 Ų | 171 | 136 Ų | 136 | 90% | 0.895 | 80% | 0.795 | S | S | * | * | trans | -74.8 | 157.5 | -174 | -61.3 | 170.3 | 0 | 0 | 0 | 111.3 | ||||
| 357 | V | 38.9 | Very low | 40.6 | Very low | 133 Ų | 133 | 135 Ų | 135 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -76.7 | 147.6 | 176.4 | 69.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 358 | S | 31.5 | Very low | 40.3 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | -153.8 | 129.4 | 160.2 | -76.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 359 | P | 46.7 | Very low | 40.1 | Very low | 120 Ų | 120 | 130.7 Ų | 130.7 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | trans | -102.9 | 176.5 | -177.3 | 39.2 | -35.4 | 0 | 0 | 0 | 114.1 | ||||
| 360 | S | 37.9 | Very low | 40.5 | Very low | 133 Ų | 133 | 131.5 Ų | 131.5 | 93% | 0.93 | 79% | 0.794 | S | S | * | * | trans | 86.9 | 153.1 | 168.6 | -156.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 361 | G | 34 | Very low | 40.2 | Very low | 75 Ų | 75 | 131.8 Ų | 131.8 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | 124.6 | 91.5 | 170.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 362 | S | 38.2 | Very low | 39.8 | Very low | 114 Ų | 114 | 134.6 Ų | 134.6 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -78.5 | 150.8 | 172.9 | 179.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 363 | L | 38.3 | Very low | 39.4 | Very low | 172 Ų | 172 | 129 Ų | 129 | 90% | 0.901 | 79% | 0.788 | S | S | * | * | -179.5 | 152.6 | 122.5 | -93.2 | 170 | 0 | 0 | 0 | 112.5 | |||||
| 364 | G | 36.1 | Very low | 39.2 | Very low | 65 Ų | 65 | 129.7 Ų | 129.7 | 67% | 0.67 | 80% | 0.797 | S | S | * | * | trans | -94.1 | -165.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 365 | P | 48.1 | Very low | 39.2 | Very low | 134 Ų | 134 | 133.2 Ų | 133.2 | 87% | 0.87 | 81% | 0.806 | S | S | * | * | cis | -136.3 | -154.7 | 42 | 40.5 | -20.8 | 0 | 0 | 0 | 115.9 | ||||
| 366 | L | 38.8 | Very low | 39.6 | Very low | 161 Ų | 161 | 128.6 Ų | 128.6 | 84% | 0.843 | 80% | 0.804 | S | S | * | * | trans | -126.2 | -180 | -161.4 | -70.3 | 170.1 | 0 | 0 | 0 | 114.8 | ||||
| 367 | S | 32.6 | Very low | 39.1 | Very low | 108 Ų | 108 | 123.2 Ų | 123.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 82.3 | 147.2 | 156.6 | -61.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 368 | V | 39.5 | Very low | 38.9 | Very low | 127 Ų | 127 | 123.4 Ų | 123.4 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | cis | -157.1 | 169 | -12.5 | -96.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 369 | P | 43.1 | Very low | 39.2 | Very low | 119 Ų | 119 | 123.3 Ų | 123.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | -147.8 | -161 | 101.4 | 47 | -29.3 | 0 | 0 | 0 | 111.9 | |||||
| 370 | P | 49.3 | Very low | 38.6 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | -123 | 178.8 | -113.5 | 26.5 | -1.3 | 0 | 0 | 0 | 116 | |||||
| 371 | V | 38.1 | Very low | 38.6 | Very low | 131 Ų | 131 | 121.5 Ų | 121.5 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -100.8 | 141.4 | -176.4 | -71.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 372 | H | 34.6 | Very low | 38.7 | Very low | 182 Ų | 182 | 123.5 Ų | 123.5 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | trans | 171 | 157.7 | 140.1 | -104.8 | -137.7 | 0 | 0 | 0 | 109.5 | ||||
| 373 | S | 32.9 | Very low | 38.3 | Very low | 86 Ų | 86 | 123.9 Ų | 123.9 | 60% | 0.601 | 78% | 0.775 | S | S | * | * | cis | 178.3 | 163.8 | -39.2 | -95.8 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 374 | T | 34.9 | Very low | 38.2 | Very low | 135 Ų | 135 | 121 Ų | 121 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | trans | 81.4 | 103.4 | 155.6 | -45.9 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 375 | M | 41.6 | Very low | 39.6 | Very low | 166 Ų | 166 | 124.3 Ų | 124.3 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -67.2 | 172.1 | 148.9 | -69.3 | -83.9 | 101 | 0 | 0 | 110.4 | ||||
| 376 | P | 51.3 | Low | 38.8 | Very low | 125 Ų | 125 | 121.7 Ų | 121.7 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | cis | -154.4 | -168.9 | 30.6 | 44.8 | -22.8 | 0 | 0 | 0 | 118.1 | ||||
| 377 | G | 34.7 | Very low | 38.7 | Very low | 58 Ų | 58 | 121 Ų | 121 | 60% | 0.598 | 77% | 0.774 | S | S | * | * | 124.7 | 119.6 | 128 | 0 | 0 | 0 | 0 | 0 | 121 | |||||
| 378 | T | 35.3 | Very low | 38.8 | Very low | 137 Ų | 137 | 122.8 Ų | 122.8 | 84% | 0.84 | 77% | 0.774 | S | S | * | * | trans | 61.4 | 151.4 | 137.9 | 41.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 379 | V | 37.9 | Very low | 38.6 | Very low | 113 Ų | 113 | 122 Ų | 122 | 69% | 0.685 | 78% | 0.775 | S | S | * | * | cis | -157.3 | 157.5 | 4.1 | -108.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 380 | T | 34.3 | Very low | 38.5 | Very low | 121 Ų | 121 | 127.8 Ų | 127.8 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | 63.6 | 154.8 | 147.6 | 53.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 381 | S | 37.9 | Very low | 38.7 | Very low | 95 Ų | 95 | 127.2 Ų | 127.2 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | cis | -167.7 | 153.4 | -8 | -106.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 382 | S | 35.2 | Very low | 38.5 | Very low | 117 Ų | 117 | 125.8 Ų | 125.8 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | 54.9 | 154.7 | 149.1 | 55.9 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 383 | C | 29.7 | Very low | 38.7 | Very low | 122 Ų | 122 | 122.4 Ų | 122.4 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | cis | -156.6 | -178.1 | -4 | 44.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 384 | S | 36.8 | Very low | 39.8 | Very low | 112 Ų | 112 | 124.7 Ų | 124.7 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | -118.6 | -161.6 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 385 | P | 64.4 | Low | 39.8 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | -121.5 | -174.3 | -89.4 | 39.8 | -24 | 0 | 0 | 0 | 114 | |||||
| 386 | G | 30.9 | Very low | 39.5 | Very low | 79 Ų | 79 | 120 Ų | 120 | 81% | 0.814 | 78% | 0.782 | S | S | * | * | trans | -148.1 | 149.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 387 | N | 37.8 | Very low | 38.5 | Very low | 148 Ų | 148 | 117.2 Ų | 117.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -152.2 | 150.5 | -170.7 | 169.1 | 90.1 | 0 | 0 | 0 | 111.2 | ||||
| 388 | N | 34.6 | Very low | 38.5 | Very low | 144 Ų | 144 | 122.8 Ų | 122.8 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 167.7 | 153.1 | 150.9 | -90.1 | -9.2 | 0 | 0 | 0 | 110.4 | ||||
| 389 | S | 36 | Very low | 38.5 | Very low | 112 Ų | 112 | 124.9 Ų | 124.9 | 78% | 0.783 | 79% | 0.791 | S | S | * | * | cis | -140.5 | 163.7 | 10.4 | -79.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 390 | R | 40.4 | Very low | 38.3 | Very low | 239 Ų | 239 | 122.8 Ų | 122.8 | 90% | 0.902 | 79% | 0.786 | S | S | * | * | trans | -100.6 | -172.6 | 165.5 | -116.4 | -174.4 | 173 | -150.7 | -0.7 | 109.9 | ||||
| 391 | P | 52.9 | Low | 38.3 | Very low | 116 Ų | 116 | 123 Ų | 123 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | cis | -118.4 | -146.9 | 13.9 | 33.7 | -9.6 | 0 | 0 | 0 | 111.4 | ||||
| 392 | S | 34.8 | Very low | 38.2 | Very low | 101 Ų | 101 | 123.9 Ų | 123.9 | 71% | 0.706 | 80% | 0.798 | S | S | * | * | cis | -159.9 | 174.5 | 4.9 | -151.9 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 393 | S | 37.6 | Very low | 39.3 | Very low | 111 Ų | 111 | 123.9 Ų | 123.9 | 78% | 0.776 | 80% | 0.796 | S | S | * | * | trans | -161.9 | 150 | 164.2 | -64.3 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 394 | P | 55.6 | Low | 39.4 | Very low | 135 Ų | 135 | 124.5 Ų | 124.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | -145.8 | -177.2 | 101.9 | 36.4 | -18.7 | 0 | 0 | 0 | 112.3 | |||||
| 395 | G | 36 | Very low | 39.2 | Very low | 63 Ų | 63 | 123.4 Ų | 123.4 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | cis | 147.9 | 140.6 | -7.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 396 | S | 34.6 | Very low | 37.7 | Very low | 139 Ų | 139 | 121.6 Ų | 121.6 | 97% | 0.972 | 78% | 0.784 | S | S | * | * | trans | 65.6 | 159.9 | 177.7 | -55.3 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 397 | G | 31.8 | Very low | 38.1 | Very low | 67 Ų | 67 | 125.9 Ų | 125.9 | 69% | 0.691 | 78% | 0.783 | S | S | * | * | cis | 164.7 | 143.7 | -13 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 398 | L | 33.8 | Very low | 38 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 92% | 0.916 | 77% | 0.773 | S | S | * | * | trans | 69.6 | 113.1 | 158 | -57.5 | 178.3 | 0 | 0 | 0 | 122.9 | ||||
| 399 | H | 34.8 | Very low | 38 | Very low | 181 Ų | 181 | 123.9 Ų | 123.9 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | 80.1 | 119.7 | 119.2 | -151.5 | -114.5 | 0 | 0 | 0 | 123.8 | |||||
| 400 | A | 34.8 | Very low | 38 | Very low | 69 Ų | 69 | 123.3 Ų | 123.3 | 57% | 0.57 | 77% | 0.768 | S | S | * | * | trans | 47.8 | 124.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 401 | S | 33.6 | Very low | 37.9 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 87% | 0.867 | 77% | 0.767 | S | S | * | * | -179.1 | 149.2 | 104.7 | -75.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 402 | S | 36 | Very low | 37 | Very low | 114 Ų | 114 | 120.1 Ų | 120.1 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -93.1 | -178.4 | 167.5 | -50.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 403 | P | 57.6 | Low | 36.8 | Very low | 118 Ų | 118 | 120.4 Ų | 120.4 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -146.3 | -150.2 | 13.3 | 44.2 | -21.5 | 0 | 0 | 0 | 115.2 | ||||
| 404 | T | 32.8 | Very low | 36.8 | Very low | 135 Ų | 135 | 121.4 Ų | 121.4 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | 101.6 | 141.3 | 149.9 | -149.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 405 | A | 33.1 | Very low | 35.6 | Very low | 88 Ų | 88 | 122.8 Ų | 122.8 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | trans | 77 | 133 | 173.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 406 | S | 33.2 | Very low | 35.4 | Very low | 95 Ų | 95 | 125.2 Ų | 125.2 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | cis | -170.8 | 132.7 | -21.4 | -116 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 407 | Q | 38.2 | Very low | 35.3 | Very low | 169 Ų | 169 | 123.3 Ų | 123.3 | 79% | 0.79 | 77% | 0.768 | S | S | * | * | trans | 58.5 | 161.5 | 147.1 | -56.8 | -169.7 | 19.4 | 0 | 0 | 119.1 | ||||
| 408 | N | 35.2 | Very low | 35.3 | Very low | 112 Ų | 112 | 125 Ų | 125 | 60% | 0.599 | 77% | 0.769 | S | S | * | * | cis | -155.1 | 157.4 | -7.1 | -136.6 | -32.7 | 0 | 0 | 0 | 111.4 | ||||
| 409 | N | 35.1 | Very low | 35.1 | Very low | 138 Ų | 138 | 122.7 Ų | 122.7 | 74% | 0.738 | 77% | 0.768 | S | S | * | * | trans | 54.1 | 153.8 | 154.2 | -76 | -19.5 | 0 | 0 | 0 | 120.6 | ||||
| 410 | S | 35.7 | Very low | 35.2 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 77% | 0.77 | S | S | * | * | cis | -155.4 | 161.3 | -3.7 | -119.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 411 | K | 37.8 | Very low | 35.2 | Very low | 200 Ų | 200 | 127 Ų | 127 | 87% | 0.87 | 78% | 0.778 | S | S | * | * | trans | -50.3 | 160.6 | 157.9 | -66 | 167.9 | 178.6 | 175 | 0 | 111.8 | ||||
| 412 | A | 34.8 | Very low | 35.3 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | cis | -168.8 | -157.9 | -14.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 413 | S | 31.8 | Very low | 35.4 | Very low | 108 Ų | 108 | 125.1 Ų | 125.1 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | cis | -160.5 | 177.7 | 18.6 | -59 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 414 | V | 36.2 | Very low | 34.2 | Very low | 131 Ų | 131 | 122.2 Ų | 122.2 | 79% | 0.794 | 76% | 0.757 | S | S | * | * | trans | -4 | 134.1 | 163.1 | -61.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 415 | N | 31.3 | Very low | 34.4 | Very low | 164 Ų | 164 | 121.8 Ų | 121.8 | 88% | 0.877 | 76% | 0.759 | S | S | * | * | -160.3 | 163.3 | 98.7 | -133.8 | -6.9 | 0 | 0 | 0 | 113.1 | |||||
| 416 | S | 31.8 | Very low | 34.5 | Very low | 114 Ų | 114 | 127.8 Ų | 127.8 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | trans | -114.2 | 142.2 | -168.4 | -56.7 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 417 | A | 31.4 | Very low | 34.8 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -159.3 | 125.9 | 148.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 418 | S | 32.2 | Very low | 34.7 | Very low | 102 Ų | 102 | 134 Ų | 134 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | -40.5 | 145.4 | 175.5 | 50.4 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 419 | S | 30.2 | Very low | 34.8 | Very low | 127 Ų | 127 | 138.1 Ų | 138.1 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | trans | -140.9 | 123 | 148.1 | -75.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 420 | F | 37.1 | Very low | 34.9 | Very low | 200 Ų | 200 | 137.9 Ų | 137.9 | 88% | 0.877 | 77% | 0.772 | S | S | * | * | trans | -89.9 | 138.1 | -177.5 | -95.3 | -91.3 | 0 | 0 | 0 | 112.5 | ||||
| 421 | N | 34.2 | Very low | 35 | Very low | 140 Ų | 140 | 140.9 Ų | 140.9 | 75% | 0.749 | 78% | 0.775 | S | S | * | * | trans | -11.1 | 152.3 | 141.9 | -107.1 | -15.2 | 0 | 0 | 0 | 117.7 | ||||
| 422 | S | 34.8 | Very low | 35.9 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 57% | 0.566 | 77% | 0.769 | S | S | * | * | cis | -165.9 | 165 | 3.1 | -147.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 423 | S | 38.3 | Very low | 36.2 | Very low | 119 Ų | 119 | 139 Ų | 139 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 43 | 146.4 | 135.6 | -59 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 424 | G | 32.6 | Very low | 36.8 | Very low | 57 Ų | 57 | 144.5 Ų | 144.5 | 59% | 0.588 | 78% | 0.779 | S | S | * | * | cis | -175.8 | 162.4 | 1.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 425 | S | 36.6 | Very low | 36.8 | Very low | 126 Ų | 126 | 145.9 Ų | 145.9 | 88% | 0.881 | 78% | 0.781 | S | S | * | * | trans | -94.5 | 130.6 | -176.4 | -174.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 426 | W | 36.2 | Very low | 37.2 | Very low | 214 Ų | 214 | 150.1 Ų | 150.1 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | trans | -104 | 103.8 | -170.7 | -81.2 | 69.2 | 0 | 0 | 0 | 113.8 | ||||
| 427 | Y | 40.3 | Very low | 37.5 | Very low | 168 Ų | 168 | 151.9 Ų | 151.9 | 66% | 0.659 | 80% | 0.795 | S | S | * | * | trans | 67.4 | 110.6 | 151 | -67.2 | -93.7 | 0 | 0 | 0 | 120.6 | ||||
| 428 | R | 35.1 | Very low | 37.8 | Very low | 227 Ų | 227 | 154.7 Ų | 154.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -108.9 | 111.6 | 160.9 | -175.3 | -170.5 | -159.9 | -142.1 | 9 | 108.1 | ||||
| 429 | W | 36.7 | Very low | 38.2 | Very low | 197 Ų | 197 | 157.6 Ų | 157.6 | 75% | 0.746 | 80% | 0.798 | S | S | * | * | trans | -77.2 | 131.4 | 179.4 | -79.1 | 87.5 | 0 | 0 | 0 | 112.2 | H431 | W429-H431 AromaticContact CE3-NE2 3.98Š| ||
| 430 | N | 37 | Very low | 38.6 | Very low | 134 Ų | 134 | 159.4 Ų | 159.4 | 72% | 0.717 | 79% | 0.793 | S | S | * | * | trans | -147.5 | 128.2 | 164.9 | -100.2 | -7.3 | 0 | 0 | 0 | 107.3 | ||||
| 431 | H | 38.3 | Very low | 38.7 | Very low | 163 Ų | 163 | 156.9 Ų | 156.9 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 136.2 | 174.4 | -72.7 | -103.1 | 0 | 0 | 0 | 110.7 | W429 | W429-H431 AromaticContact CE3-NE2 3.98Š|
| 432 | P | 56.1 | Low | 39 | Very low | 115 Ų | 115 | 158 Ų | 158 | 75% | 0.747 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -87.1 | 140.7 | 159.8 | 33.8 | -29.9 | 0 | 0 | 0 | 110.9 | ||
| 433 | T | 41.3 | Very low | 39.3 | Very low | 132 Ų | 132 | 163.5 Ų | 163.5 | 81% | 0.81 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 147.9 | 160.2 | 45.9 | 0 | 0 | 0 | 0 | 110.3 | ||
| 434 | Y | 46.1 | Very low | 39.4 | Very low | 224 Ų | 224 | 166.9 Ų | 166.9 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | trans | -134.1 | 146.5 | 162.4 | -123.1 | -92.5 | 0 | 0 | 0 | 110.5 | ||||
| 435 | L | 34.9 | Very low | 40 | Very low | 160 Ų | 160 | 176.1 Ų | 176.1 | 84% | 0.838 | 82% | 0.822 | S | S | * | * | trans | -89.6 | 142.6 | 172.6 | -63.8 | 85.1 | 0 | 0 | 0 | 109.5 | ||||
| 436 | H | 40.9 | Very low | 40.3 | Very low | 253 Ų | 253 | 180.6 Ų | 180.6 | 100% | 1.171 | 82% | 0.817 | S | S | * | * | -153 | 0 | 121.4 | -149.1 | -58.5 | 0 | 0 | 0 | 110.2 |
Retrieved 436 of 436 residues in 684.4 ms
(Link to these results)