| 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 | 42.9 | Very low | 46.5 | Very low | 247 Ų | 247 | 149.8 Ų | 149.8 | 100% | 1.217 | 84% | 0.835 | S | S | * | * | 0 | 154 | 0 | -66.6 | 173.8 | -177.7 | 0 | 0 | 108.1 | |||||
| 2 | M | 41.4 | Very low | 46.2 | Very low | 189 Ų | 189 | 151.5 Ų | 151.5 | 93% | 0.931 | 83% | 0.831 | S | S | * | * | trans | -71.2 | 137.6 | -173.5 | -137.5 | 82 | 138.6 | 0 | 0 | 111.6 | ||||
| 3 | L | 49.4 | Very low | 45.8 | Very low | 175 Ų | 175 | 154.2 Ų | 154.2 | 92% | 0.916 | 83% | 0.834 | S | S | * | * | trans | -94.5 | 106.6 | 162.4 | -73.7 | 174 | 0 | 0 | 0 | 108.4 | ||||
| 4 | G | 48.6 | Very low | 45.9 | Very low | 70 Ų | 70 | 151.4 Ų | 151.4 | 72% | 0.722 | 82% | 0.824 | S | S | * | * | trans | -81.2 | 123.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 5 | A | 49.2 | Very low | 45.6 | Very low | 104 Ų | 104 | 150.2 Ų | 150.2 | 86% | 0.86 | 82% | 0.817 | S | S | * | * | trans | -76.2 | 123.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | K7 | A5-K7 PolarHBondContact O-N 3.38Š| ||
| 6 | V | 51.5 | Low | 45.5 | Very low | 130 Ų | 130 | 155.1 Ų | 155.1 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -81.8 | 106.7 | 175.2 | -179.9 | 0 | 0 | 0 | 0 | 109.3 | M8 | V6-M8 PolarHBondContact O-N 3.02Š| ||
| 7 | K | 49.7 | Very low | 45.4 | Very low | 156 Ų | 156 | 152.2 Ų | 152.2 | 68% | 0.678 | 82% | 0.815 | S | S | * | * | trans | -73.6 | 107.7 | 173.8 | -179.1 | -167.3 | 178 | -161.6 | 0 | 109.6 | A5 E9 | A5-K7 PolarHBondContact O-N 3.38Å; K7-E9 WeakPolarHBondContact CE-OE2 3.19Å; K7-E9 IonicContact NZ-OE1 3.45Å; K7-E9 PolarHBondContact NZ-OE1 3.39Å; K7-E9 IonicContact NZ-OE2 2.61Å; K7-E9 PolarHBondContact NZ-OE2 3.34Å; K7-E9 PolarHBondContact O-N 2.91Å | ||
| 8 | M | 51.5 | Low | 45.1 | Very low | 175 Ų | 175 | 151 Ų | 151 | 86% | 0.862 | 82% | 0.815 | S | S | * | * | trans | -79.8 | 101.7 | 165 | -72.3 | -68.2 | -71.8 | 0 | 0 | 108.7 | V6 | V6-M8 PolarHBondContact O-N 3.02Š| ||
| 9 | E | 41.9 | Very low | 44.9 | Very low | 145 Ų | 145 | 152.8 Ų | 152.8 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -88 | 137.9 | 173.6 | -164.8 | 155.9 | -175.7 | 0 | 0 | 109.7 | K7 | K7-E9 WeakPolarHBondContact CE-OE2 3.19Å; K7-E9 IonicContact NZ-OE1 3.45Å; K7-E9 PolarHBondContact NZ-OE1 3.39Å; K7-E9 IonicContact NZ-OE2 2.61Å; K7-E9 PolarHBondContact NZ-OE2 3.34Å; K7-E9 PolarHBondContact O-N 2.91Å | ||
| 10 | G | 43.4 | Very low | 44.8 | Very low | 60 Ų | 60 | 155.9 Ų | 155.9 | 62% | 0.619 | 81% | 0.812 | S | S | * | * | trans | -66.5 | 151.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 11 | H | 41.7 | Very low | 44.5 | Very low | 197 Ų | 197 | 151.7 Ų | 151.7 | 91% | 0.912 | 81% | 0.806 | S | S | * | * | trans | -113.5 | 123.2 | 162.6 | -123.8 | 54.7 | 0 | 0 | 0 | 109 | ||||
| 12 | E | 43.7 | Very low | 43.9 | Very low | 170 Ų | 170 | 148.2 Ų | 148.2 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -65 | 150.4 | -171.5 | -60.5 | -74.4 | 94.6 | 0 | 0 | 111.6 | T14 | E12-T14 PolarHBondContact O-N 3.35Š| ||
| 13 | H | 40.5 | Very low | 44.1 | Very low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | trans | -68.9 | 121.2 | 177.5 | -130.6 | -91.4 | 0 | 0 | 0 | 110 | D15 | H13-D15 PolarHBondContact O-N 3.47Š| ||
| 14 | T | 46.7 | Very low | 43.5 | Very low | 114 Ų | 114 | 145 Ų | 145 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -73.1 | 112 | -177.3 | -45.7 | 0 | 0 | 0 | 0 | 111.6 | E12 W16 | E12-T14 PolarHBondContact O-N 3.35Å; T14-W16 PolarHBondContact O-N 3.46Å | ||
| 15 | D | 41.9 | Very low | 42.8 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | -65.2 | 127.1 | 177.4 | -84.9 | -52 | 0 | 0 | 0 | 112.6 | H13 S17 | H13-D15 PolarHBondContact O-N 3.47Å; D15-S17 PolarHBondContact O-N 3.22Å | ||
| 16 | W | 44.3 | Very low | 42 | Very low | 229 Ų | 229 | 153 Ų | 153 | 87% | 0.867 | 78% | 0.777 | S | S | * | * | trans | -89.2 | 26.7 | -172.3 | -143.9 | -110.6 | 0 | 0 | 0 | 114.2 | T14 | T14-W16 PolarHBondContact O-N 3.46Š| ||
| 17 | S | 43.2 | Very low | 41.1 | Very low | 105 Ų | 105 | 152.2 Ų | 152.2 | 73% | 0.734 | 77% | 0.773 | S | S | * | * | trans | -98.1 | -5.8 | -161.8 | -61.3 | 0 | 0 | 0 | 0 | 115.4 | D15 | D15-S17 PolarHBondContact O-N 3.22Š| ||
| 18 | T | 39.8 | Very low | 40.3 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | -102.7 | -1.6 | -164.3 | -39.6 | 0 | 0 | 0 | 0 | 114.7 | Y20 | T18-Y20 PolarHBondContact O-N 2.92Š| ||
| 19 | Y | 41.2 | Very low | 39.6 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 73% | 0.725 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -85.1 | -1.3 | -165 | -166 | -110.5 | 0 | 0 | 0 | 116.8 | ||
| 20 | Y | 43.1 | Very low | 39.1 | Very low | 215 Ų | 215 | 145.1 Ų | 145.1 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -140.5 | 85.6 | 176.9 | -76.2 | -68.8 | 0 | 0 | 0 | 112.8 | T18 | T18-Y20 PolarHBondContact O-N 2.92Š|
| 21 | G | 38.6 | Very low | 38.7 | Very low | 68 Ų | 68 | 150.2 Ų | 150.2 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | trans | -174.4 | 73.7 | 175 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 22 | E | 30.9 | Very low | 38.5 | Very low | 173 Ų | 173 | 149.7 Ų | 149.7 | 81% | 0.808 | 79% | 0.794 | S | S | * | * | trans | -168.7 | 147.6 | 141.7 | -103.7 | -55.3 | 91.9 | 0 | 0 | 110.1 | ||||
| 23 | P | 45.5 | Very low | 38 | Very low | 99 Ų | 99 | 149 Ų | 149 | 64% | 0.643 | 80% | 0.796 | S | S | * | * | trans | -106 | 98.2 | 172.2 | 35.1 | -23.4 | 0 | 0 | 0 | 111.5 | C25 | P23-C25 PolarHBondContact O-N 2.91Š| ||
| 24 | E | 36.2 | Very low | 37.9 | Very low | 199 Ų | 199 | 146.6 Ų | 146.6 | 93% | 0.93 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -61.9 | 131.6 | -178.6 | -68.3 | -168.8 | 151.5 | 0 | 0 | 113.1 | ||
| 25 | C | 34.4 | Very low | 37.1 | Very low | 111 Ų | 111 | 144.5 Ų | 144.5 | 75% | 0.75 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 126.9 | -178.3 | 54.6 | 0 | 0 | 0 | 0 | 111.8 | P23 | P23-C25 PolarHBondContact O-N 2.91Š|
| 26 | Y | 32.8 | Very low | 36.9 | Very low | 230 Ų | 230 | 147 Ų | 147 | 90% | 0.902 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 139.9 | 176.9 | -141.8 | -87.8 | 0 | 0 | 0 | 110.8 | ||
| 27 | T | 32.9 | Very low | 36.3 | Very low | 113 Ų | 113 | 139.9 Ų | 139.9 | 69% | 0.693 | 81% | 0.806 | S | S | * | * | trans | -129.9 | 164.6 | 179.5 | 68.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 28 | S | 32 | Very low | 36.1 | Very low | 107 Ų | 107 | 142.7 Ų | 142.7 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | 67.3 | 104.5 | 175.7 | -160.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 29 | V | 37.1 | Very low | 36.1 | Very low | 146 Ų | 146 | 144 Ų | 144 | 89% | 0.885 | 81% | 0.812 | S | S | * | * | -141.2 | 145.9 | 93.2 | -84.4 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 30 | G | 32.1 | Very low | 35.9 | Very low | 74 Ų | 74 | 139.9 Ų | 139.9 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | -97.9 | 157.7 | -176 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 31 | N | 33.6 | Very low | 35.6 | Very low | 167 Ų | 167 | 138.8 Ų | 138.8 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | trans | -145.2 | 131.9 | 162.8 | -153.4 | 64.9 | 0 | 0 | 0 | 109.5 | ||||
| 32 | M | 37.7 | Very low | 35.5 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 92% | 0.916 | 81% | 0.811 | S | S | * | * | trans | -87.7 | 142.6 | -174 | -60.8 | 175.8 | -179.3 | 0 | 0 | 111.8 | ||||
| 33 | N | 34.4 | Very low | 35.6 | Very low | 156 Ų | 156 | 139.3 Ų | 139.3 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -151.1 | 162.3 | 144.9 | -155.7 | 7.1 | 0 | 0 | 0 | 111.3 | ||||
| 34 | T | 36.7 | Very low | 35 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 82% | 0.815 | S | S | * | * | trans | -99.8 | 165.3 | -169.5 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 35 | G | 30.5 | Very low | 35 | Very low | 70 Ų | 70 | 142.3 Ų | 142.3 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | 152.4 | 83.8 | 165 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 36 | L | 38.3 | Very low | 35.1 | Very low | 186 Ų | 186 | 142.1 Ų | 142.1 | 97% | 0.974 | 81% | 0.813 | S | S | * | * | trans | 12.7 | 132.9 | 146.1 | -52.8 | 172.4 | 0 | 0 | 0 | 120.2 | ||||
| 37 | G | 32.1 | Very low | 35.1 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 81% | 0.814 | S | S | * | * | trans | 172.7 | 108.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 38 | M | 39.2 | Very low | 35.2 | Very low | 165 Ų | 165 | 140.2 Ų | 140.2 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -67.9 | 149.2 | 178.5 | -55 | 111.7 | 67.3 | 0 | 0 | 113 | ||||
| 39 | N | 39.6 | Very low | 35.2 | Very low | 158 Ų | 158 | 138.6 Ų | 138.6 | 85% | 0.845 | 82% | 0.821 | S | S | * | * | -173.8 | 162.4 | 97.7 | -95.1 | -64.6 | 0 | 0 | 0 | 112.2 | |||||
| 40 | S | 35.6 | Very low | 34.9 | Very low | 99 Ų | 99 | 139.8 Ų | 139.8 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | -136.6 | 138.1 | -175.5 | 173.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 41 | M | 38.2 | Very low | 35 | Very low | 192 Ų | 192 | 141.3 Ų | 141.3 | 95% | 0.946 | 82% | 0.817 | S | S | * | * | trans | -161.5 | 148.4 | 144.1 | -110.9 | 168.3 | -161.5 | 0 | 0 | 111.8 | ||||
| 42 | N | 35.3 | Very low | 35 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 62% | 0.62 | 82% | 0.818 | S | S | * | * | trans | -90.2 | 154.5 | 178 | -73.6 | -96.8 | 0 | 0 | 0 | 111 | Y44 | N42-Y44 HydrophobicContact CB-CD1 3.88Å; N42-Y44 HydrophobicContact CB-CE1 3.45Å; N42-Y44 VanDerWaalsContact CB-CE1 3.45Å | ||
| 43 | T | 33.8 | Very low | 34.9 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 83% | 0.834 | 82% | 0.818 | S | S | * | * | trans | -143.2 | 154.3 | 141.8 | -69.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 44 | Y | 31.8 | Very low | 34.9 | Very low | 178 Ų | 178 | 135.7 Ų | 135.7 | 70% | 0.698 | 82% | 0.815 | S | S | * | * | trans | -141 | 176.2 | -158.6 | 11.6 | -114.5 | 0 | 0 | 0 | 111 | N42 | N42-Y44 HydrophobicContact CB-CD1 3.88Å; N42-Y44 HydrophobicContact CB-CE1 3.45Å; N42-Y44 VanDerWaalsContact CB-CE1 3.45Å | ||
| 45 | M | 36.1 | Very low | 34.9 | Very low | 182 Ų | 182 | 135.3 Ų | 135.3 | 90% | 0.897 | 81% | 0.808 | S | S | * | * | trans | 88.7 | 105.6 | 175.2 | -62.7 | -67.2 | -173.1 | 0 | 0 | 118.1 | ||||
| 46 | S | 37.9 | Very low | 35.1 | Very low | 107 Ų | 107 | 139.3 Ų | 139.3 | 75% | 0.748 | 81% | 0.81 | S | S | * | * | trans | -43 | 144.5 | 152.2 | 175.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 47 | M | 33.1 | Very low | 34.8 | Very low | 185 Ų | 185 | 136.4 Ų | 136.4 | 91% | 0.911 | 80% | 0.8 | S | S | * | * | -163.5 | 160.7 | 118.7 | -113 | -162.4 | 171.2 | 0 | 0 | 113.6 | |||||
| 48 | S | 34.2 | Very low | 34.7 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 83% | 0.832 | 80% | 0.8 | S | S | * | * | trans | -111.7 | 140.2 | 178.6 | -53.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 49 | G | 31.3 | Very low | 34.4 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -176.1 | 123.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 50 | M | 30.9 | Very low | 34.2 | Very low | 171 Ų | 171 | 134.5 Ų | 134.5 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 9 | 126.2 | 164.5 | -87.9 | 67 | 80.6 | 0 | 0 | 122.1 | ||||
| 51 | S | 34.4 | Very low | 34.3 | Very low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | 46.5 | 116.8 | 118.9 | -48.5 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 52 | T | 34.8 | Very low | 34.1 | Very low | 147 Ų | 147 | 136.7 Ų | 136.7 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | -166.4 | 133.2 | 129.5 | 8.8 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 53 | T | 34.4 | Very low | 34.3 | Very low | 150 Ų | 150 | 139.7 Ų | 139.7 | 92% | 0.92 | 81% | 0.814 | S | S | * | * | trans | -125.9 | 101.5 | -179.7 | -47.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 54 | A | 35.4 | Very low | 34.2 | Very low | 94 Ų | 94 | 137.7 Ų | 137.7 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -162.5 | 150.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 55 | N | 36.1 | Very low | 34.2 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 70% | 0.695 | 82% | 0.815 | S | S | * | * | cis | -159.9 | 153.9 | -2.3 | -148.7 | -14.4 | 0 | 0 | 0 | 111.9 | ||||
| 56 | M | 34.6 | Very low | 34.4 | Very low | 154 Ų | 154 | 137.2 Ų | 137.2 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | 60.1 | 164.8 | 163 | -41 | -162 | -178.2 | 0 | 0 | 117.3 | ||||
| 57 | T | 31.9 | Very low | 34 | Very low | 125 Ų | 125 | 139.7 Ų | 139.7 | 77% | 0.767 | 81% | 0.812 | S | S | * | * | cis | -146.6 | 139.9 | 8.6 | -44.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 58 | A | 30.8 | Very low | 34.1 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -153 | 126.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 59 | N | 32.8 | Very low | 34 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 80% | 0.802 | S | S | * | * | trans | -84.9 | 132.5 | 178.7 | -82.8 | -7.4 | 0 | 0 | 0 | 112.2 | ||||
| 60 | S | 34.8 | Very low | 34.4 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -146.9 | 118.8 | 144.7 | 58.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 61 | M | 37.6 | Very low | 34.6 | Very low | 187 Ų | 187 | 136.1 Ų | 136.1 | 92% | 0.921 | 80% | 0.8 | S | S | * | * | trans | -79 | 135 | 175.5 | -59.5 | 173.5 | -169.3 | 0 | 0 | 109.1 | ||||
| 62 | N | 34.7 | Very low | 35.3 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 81% | 0.806 | S | S | * | * | trans | -130.4 | 130 | 166.3 | -171.6 | 1.1 | 0 | 0 | 0 | 107.7 | ||||
| 63 | M | 38.4 | Very low | 35.3 | Very low | 178 Ų | 178 | 136 Ų | 136 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -137.5 | 130.7 | 177.1 | -107.7 | -64.1 | 175.4 | 0 | 0 | 110.1 | ||||
| 64 | S | 32.2 | Very low | 35.2 | Very low | 95 Ų | 95 | 137.3 Ų | 137.3 | 66% | 0.664 | 80% | 0.8 | S | S | * | * | trans | -82.3 | 155.5 | -169.2 | -42.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 65 | Y | 32.4 | Very low | 35.2 | Very low | 230 Ų | 230 | 139.9 Ų | 139.9 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -144.6 | 151.9 | 142.8 | -100 | -71.1 | 0 | 0 | 0 | 112.5 | ||||
| 66 | V | 39 | Very low | 34.9 | Very low | 120 Ų | 120 | 137 Ų | 137 | 73% | 0.727 | 81% | 0.808 | S | S | * | * | trans | -51.1 | 154.5 | -168.3 | -62.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 67 | N | 29.5 | Very low | 35.1 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 85% | 0.85 | 81% | 0.814 | S | S | * | * | -154.6 | 163.2 | 106.9 | -157.5 | 9.4 | 0 | 0 | 0 | 111.6 | |||||
| 68 | T | 36.3 | Very low | 35.4 | Very low | 122 Ų | 122 | 137.8 Ų | 137.8 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | -122.3 | 147.9 | -167.9 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 69 | G | 31.7 | Very low | 36.3 | Very low | 76 Ų | 76 | 139.4 Ų | 139.4 | 78% | 0.784 | 82% | 0.818 | S | S | * | * | trans | -172.2 | 117 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 70 | M | 38.8 | Very low | 36.3 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 86% | 0.857 | 81% | 0.811 | S | S | * | * | trans | -113.7 | 170 | 174.2 | -47.6 | -165.3 | 81.7 | 0 | 0 | 108.6 | ||||
| 71 | S | 36.8 | Very low | 36.2 | Very low | 101 Ų | 101 | 137.2 Ų | 137.2 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | cis | -151.4 | -175.7 | 15.4 | -50.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 72 | P | 48.9 | Very low | 36.1 | Very low | 131 Ų | 131 | 132.2 Ų | 132.2 | 85% | 0.851 | 81% | 0.814 | S | S | * | * | trans | -121.2 | 157.3 | 132.6 | 36 | -31.4 | 0 | 0 | 0 | 112.3 | ||||
| 73 | S | 33.5 | Very low | 36.1 | Very low | 117 Ų | 117 | 129.7 Ų | 129.7 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | -116.6 | 156.5 | 176.1 | -170.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 74 | M | 33.6 | Very low | 36 | Very low | 178 Ų | 178 | 128.9 Ų | 128.9 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -117.5 | 126.3 | -173 | -70.5 | -88.7 | -77.2 | 0 | 0 | 111.2 | ||||
| 75 | T | 34.3 | Very low | 36.1 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 91% | 0.908 | 82% | 0.817 | S | S | * | * | trans | -153 | 130.3 | 166.8 | 46.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 76 | G | 30.8 | Very low | 36.1 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | trans | 132.4 | 104.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 77 | M | 38.2 | Very low | 36 | Very low | 180 Ų | 180 | 128.2 Ų | 128.2 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 71.2 | 110.3 | 135.5 | -53.5 | 175 | 77.8 | 0 | 0 | 121.8 | ||||
| 78 | S | 37.4 | Very low | 36.2 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 80% | 0.804 | 82% | 0.82 | S | S | * | * | trans | 57.9 | 147.8 | 137.5 | -57.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 79 | P | 51 | Low | 36.3 | Very low | 132 Ų | 132 | 123.2 Ų | 123.2 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | cis | -113.8 | -168.9 | 24.8 | 10.7 | 15.3 | 0 | 0 | 0 | 112.8 | ||||
| 80 | G | 31.8 | Very low | 36.4 | Very low | 62 Ų | 62 | 123.3 Ų | 123.3 | 64% | 0.639 | 83% | 0.825 | S | S | * | * | cis | 138.4 | 89.7 | -2.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 81 | T | 33.9 | Very low | 36.5 | Very low | 155 Ų | 155 | 122.1 Ų | 122.1 | 95% | 0.951 | 82% | 0.82 | S | S | * | * | trans | 43.5 | 113.6 | 162.1 | 53.9 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 82 | G | 34.8 | Very low | 36.6 | Very low | 82 Ų | 82 | 124.1 Ų | 124.1 | 85% | 0.845 | 83% | 0.827 | S | S | * | * | trans | 179.1 | 134.7 | 160 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 83 | A | 34.4 | Very low | 36.2 | Very low | 97 Ų | 97 | 121 Ų | 121 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -137.2 | 146.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 84 | M | 36.4 | Very low | 36.4 | Very low | 162 Ų | 162 | 123.7 Ų | 123.7 | 80% | 0.798 | 82% | 0.815 | S | S | * | * | 166.6 | 144.2 | 124.4 | -90 | -177.1 | 75.9 | 0 | 0 | 112.9 | |||||
| 85 | N | 33.8 | Very low | 36.3 | Very low | 154 Ų | 154 | 120.4 Ų | 120.4 | 82% | 0.824 | 81% | 0.809 | S | S | * | * | trans | 48.3 | 136.9 | 155.4 | -65.4 | -0.6 | 0 | 0 | 0 | 121.6 | ||||
| 86 | G | 32.6 | Very low | 36.3 | Very low | 74 Ų | 74 | 118.1 Ų | 118.1 | 76% | 0.763 | 81% | 0.805 | S | S | * | * | trans | -172.1 | -0.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 87 | M | 38 | Very low | 36.4 | Very low | 202 Ų | 202 | 118.7 Ų | 118.7 | 100% | 0.995 | 80% | 0.803 | S | S | * | * | trans | 53.4 | 129.1 | 160.7 | -153.4 | 77.5 | 154.4 | 0 | 0 | 120.3 | ||||
| 88 | G | 34.3 | Very low | 36.3 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 135 | 92 | 149.4 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 89 | A | 37.6 | Very low | 36.3 | Very low | 100 Ų | 100 | 118.6 Ų | 118.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -5.9 | 147 | 158 | 0 | 0 | 0 | 0 | 0 | 122.6 | M91 | A89-M91 HydrophobicContact CB-CE 4.38Å; A89-M91 HydrophobicContact CB-SD 4.42Å | ||
| 90 | G | 33.8 | Very low | 36.7 | Very low | 78 Ų | 78 | 117.5 Ų | 117.5 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | 165.7 | 95.8 | 163.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 91 | M | 40.8 | Very low | 36.8 | Very low | 150 Ų | 150 | 119.3 Ų | 119.3 | 74% | 0.739 | 80% | 0.801 | S | S | * | * | trans | -123.5 | 153.1 | -167 | 35.4 | -85.9 | -175 | 0 | 0 | 114.7 | A89 | A89-M91 HydrophobicContact CB-CE 4.38Å; A89-M91 HydrophobicContact CB-SD 4.42Å | ||
| 92 | T | 39.4 | Very low | 37 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 87% | 0.871 | 80% | 0.797 | S | S | * | * | trans | 65.8 | 157.6 | 162.2 | 52.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 93 | A | 39.4 | Very low | 37.4 | Very low | 67 Ų | 67 | 121.6 Ų | 121.6 | 55% | 0.554 | 79% | 0.793 | S | S | * | * | cis | -172.1 | 135.3 | -32.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 94 | M | 38.1 | Very low | 38.6 | Very low | 173 Ų | 173 | 122.6 Ų | 122.6 | 85% | 0.852 | 79% | 0.791 | S | S | * | * | trans | 48.1 | 159.3 | 136.4 | 78.9 | -154.1 | 167.3 | 0 | 0 | 126 | ||||
| 95 | S | 32.6 | Very low | 38.9 | Very low | 108 Ų | 108 | 123.4 Ų | 123.4 | 76% | 0.755 | 80% | 0.795 | S | S | * | * | trans | 66.7 | 137.2 | 174.1 | 48.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 96 | A | 34 | Very low | 38.8 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | cis | 81.6 | 146 | 33.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 97 | A | 33.2 | Very low | 39 | Very low | 84 Ų | 84 | 122 Ų | 122 | 69% | 0.694 | 79% | 0.787 | S | S | * | * | cis | -166.5 | 162.7 | -1.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 98 | L | 36 | Very low | 38.7 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 95% | 0.948 | 78% | 0.779 | S | S | * | * | trans | 71.3 | -179.8 | 151.3 | -64.7 | 166.7 | 0 | 0 | 0 | 120.7 | ||||
| 99 | S | 37.3 | Very low | 39.5 | Very low | 111 Ų | 111 | 123.1 Ų | 123.1 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -130.1 | -162.5 | -160.6 | -148.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 100 | P | 59 | Low | 39.6 | Very low | 110 Ų | 110 | 122.8 Ų | 122.8 | 71% | 0.714 | 78% | 0.777 | S | S | * | * | cis | -141.9 | -176.8 | -6.2 | 43.7 | -24.8 | 0 | 0 | 0 | 117.2 | ||||
| 101 | S | 34.3 | Very low | 39.8 | Very low | 100 Ų | 100 | 124.5 Ų | 124.5 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | 61.1 | 131.1 | 142.4 | -167.3 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 102 | M | 36.3 | Very low | 39.7 | Very low | 178 Ų | 178 | 124.9 Ų | 124.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | -167 | 162 | 123.2 | -96.4 | -48.4 | 173.6 | 0 | 0 | 112 | |||||
| 103 | S | 44.8 | Very low | 39.4 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 75% | 0.748 | 78% | 0.776 | S | S | * | * | trans | -134.8 | 163.3 | 172 | -54.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 104 | P | 59.8 | Low | 39.1 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 77% | 0.766 | 78% | 0.78 | S | S | * | * | -156.4 | 152.4 | 113.3 | 37.1 | -18.1 | 0 | 0 | 0 | 118.1 | |||||
| 105 | M | 40.8 | Very low | 39.2 | Very low | 178 Ų | 178 | 125.4 Ų | 125.4 | 88% | 0.877 | 78% | 0.78 | S | S | * | * | trans | 44.9 | 158.1 | 134.4 | -102.5 | 158.5 | 55.2 | 0 | 0 | 122.6 | ||||
| 106 | T | 33 | Very low | 39.6 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 69% | 0.693 | 79% | 0.786 | S | S | * | * | cis | -150.3 | 141.4 | 18.9 | 46.7 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 107 | A | 36.3 | Very low | 39.7 | Very low | 87 Ų | 87 | 128.2 Ų | 128.2 | 72% | 0.719 | 79% | 0.787 | S | S | * | * | trans | 42.5 | 123.4 | 135 | 0 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 108 | Q | 32.5 | Very low | 39.8 | Very low | 178 Ų | 178 | 134 Ų | 134 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | 68.2 | 163.7 | 132.4 | -62.7 | -64.8 | -24.9 | 0 | 0 | 121.5 | ||||
| 109 | P | 50.3 | Low | 40.3 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -124.6 | -155.3 | -10.9 | 40.5 | -22.2 | 0 | 0 | 0 | 113.9 | ||||
| 110 | A | 39.9 | Very low | 40.5 | Very low | 94 Ų | 94 | 131.8 Ų | 131.8 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | -133.7 | 162.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 111 | S | 38.1 | Very low | 39.7 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 79% | 0.79 | 78% | 0.778 | S | S | * | * | trans | 179 | 154.8 | 148.9 | 46.3 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 112 | M | 37.9 | Very low | 39.9 | Very low | 159 Ų | 159 | 135.8 Ų | 135.8 | 78% | 0.783 | 78% | 0.783 | S | S | * | * | trans | 63.5 | 122.8 | 151.4 | -72.2 | -68.2 | -176.6 | 0 | 0 | 123.8 | ||||
| 113 | N | 33.9 | Very low | 40.1 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | 53.1 | 149.8 | 135.2 | -75.8 | -16.1 | 0 | 0 | 0 | 121.8 | ||||
| 114 | A | 33.5 | Very low | 40.1 | Very low | 77 Ų | 77 | 134.8 Ų | 134.8 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -154.2 | 168.4 | 11.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 115 | L | 38.9 | Very low | 39.6 | Very low | 163 Ų | 163 | 134.5 Ų | 134.5 | 85% | 0.853 | 78% | 0.781 | S | S | * | * | trans | 52.2 | 110.3 | 157 | -86.3 | 71.9 | 0 | 0 | 0 | 120.4 | ||||
| 116 | T | 41.3 | Very low | 40.4 | Very low | 145 Ų | 145 | 131.8 Ų | 131.8 | 89% | 0.89 | 78% | 0.777 | S | S | * | * | trans | -152 | 152.4 | 131.8 | -11.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 117 | S | 37.2 | Very low | 40.9 | Very low | 122 Ų | 122 | 134.5 Ų | 134.5 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -86.2 | 157.4 | -156.9 | -56.9 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 118 | Y | 33.8 | Very low | 41.2 | Very low | 204 Ų | 204 | 141 Ų | 141 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -85.5 | 133.1 | -177.4 | -80.4 | -96.2 | 0 | 0 | 0 | 115.2 | ||||
| 119 | T | 47.6 | Very low | 42 | Very low | 137 Ų | 137 | 136 Ų | 136 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -162.6 | 107.2 | 142.3 | 25.7 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 120 | N | 40.4 | Very low | 41.5 | Very low | 110 Ų | 110 | 139.7 Ų | 139.7 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | cis | 69.3 | 119.2 | 25.7 | -130.9 | 34.2 | 0 | 0 | 0 | 111.7 | ||||
| 121 | M | 43.3 | Very low | 41.8 | Very low | 145 Ų | 145 | 140.2 Ų | 140.2 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -161.7 | 157.6 | 4.9 | -168.6 | 46.2 | 127.2 | 0 | 0 | 113 | ||||
| 122 | N | 38.5 | Very low | 41.9 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 79% | 0.793 | S | S | * | * | trans | 66.8 | 155.5 | 157.8 | -93.6 | -3.4 | 0 | 0 | 0 | 120.4 | ||||
| 123 | A | 41.3 | Very low | 42.8 | Very low | 83 Ų | 83 | 141.3 Ų | 141.3 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | cis | -149.3 | 161.5 | -5.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 124 | M | 44.6 | Very low | 43.6 | Very low | 181 Ų | 181 | 140.7 Ų | 140.7 | 89% | 0.892 | 79% | 0.789 | S | S | * | * | trans | -92.3 | 144.1 | 165.3 | -73.6 | -162.6 | 76.4 | 0 | 0 | 112.1 | ||||
| 125 | S | 48.3 | Very low | 44.1 | Very low | 112 Ų | 112 | 148.7 Ų | 148.7 | 78% | 0.783 | 80% | 0.803 | S | S | * | * | trans | -151.4 | 124.4 | 159.7 | -75.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 126 | P | 58.1 | Low | 44.5 | Very low | 122 Ų | 122 | 146 Ų | 146 | 79% | 0.792 | 80% | 0.798 | S | S | * | * | trans | -87.2 | 111.6 | 176 | 32.3 | -30.3 | 0 | 0 | 0 | 110.8 | ||||
| 127 | I | 43.1 | Very low | 45.1 | Very low | 169 Ų | 169 | 150.1 Ų | 150.1 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -97 | 128.8 | 173.1 | -156.6 | 166.8 | 0 | 0 | 0 | 110.8 | ||||
| 128 | Y | 43.5 | Very low | 45.6 | Very low | 224 Ų | 224 | 148.1 Ų | 148.1 | 88% | 0.878 | 78% | 0.777 | S | S | * | * | trans | -76.9 | 139.4 | 178.8 | -92 | -104.7 | 0 | 0 | 0 | 111.5 | ||||
| 129 | G | 48.6 | Very low | 46.3 | Very low | 74 Ų | 74 | 143.4 Ų | 143.4 | 76% | 0.763 | 77% | 0.771 | S | S | * | * | trans | 67.2 | 88.8 | 152.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 130 | Q | 39.2 | Very low | 46.5 | Very low | 199 Ų | 199 | 144 Ų | 144 | 93% | 0.93 | 76% | 0.763 | S | S | * | * | trans | -141.9 | 136.2 | 148.5 | -111.1 | 170.9 | 40 | 0 | 0 | 111.7 | N132 | Q130-N132 PolarHBondContact O-N 2.56Š| ||
| 131 | S | 46.9 | Very low | 46.9 | Very low | 104 Ų | 104 | 143.8 Ų | 143.8 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | trans | -83.1 | 100 | -170.1 | 41.8 | 0 | 0 | 0 | 0 | 111.8 | I133 | S131-I133 PolarHBondContact O-N 3.34Š| ||
| 132 | N | 40.2 | Very low | 47 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 77% | 0.765 | 77% | 0.773 | S | S | * | * | trans | -78 | 60.4 | 179.2 | -162.4 | -6.1 | 0 | 0 | 0 | 113.3 | Q130 N134 | Q130-N132 PolarHBondContact O-N 2.56Å; N132-N134 PolarHBondContact O-N 3.24Å; N132-N134 VanDerWaalsContact O-N 3.08Å | ||
| 133 | I | 56.4 | Low | 47.2 | Very low | 153 Ų | 153 | 150.9 Ų | 150.9 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | -82 | 66.4 | 167.4 | -54.6 | 173.6 | 0 | 0 | 0 | 107.7 | S131 | S131-I133 PolarHBondContact O-N 3.34Š| ||
| 134 | N | 50.1 | Low | 47.6 | Very low | 139 Ų | 139 | 156.6 Ų | 156.6 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | -148 | 33.9 | 175.8 | -113.1 | -23.5 | 0 | 0 | 0 | 114.6 | N132 S136 | N132-N134 PolarHBondContact O-N 3.24Å; N132-N134 VanDerWaalsContact O-N 3.08Å; N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 3.44Å | ||
| 135 | R | 44.7 | Very low | 47.9 | Very low | 246 Ų | 246 | 150.9 Ų | 150.9 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | trans | -69.6 | 95.1 | 152.1 | -68.6 | -166.5 | -168.2 | -162.1 | 5.5 | 108 | R137 | R135-R137 PolarHBondContact O-N 2.88Š| ||
| 136 | S | 47.6 | Very low | 48.3 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 75% | 0.748 | 76% | 0.755 | S | S | * | * | trans | -54.5 | 104.5 | 170.2 | -176.4 | 0 | 0 | 0 | 0 | 109.2 | N134 D138 | N134-S136 VanDerWaalsContact C-N 3.3Å; N134-S136 PolarHBondContact O-N 3.44Å; S136-D138 PolarHBondContact O-N 2.99Å | ||
| 137 | R | 54.1 | Low | 48.5 | Very low | 230 Ų | 230 | 152.5 Ų | 152.5 | 87% | 0.868 | 74% | 0.739 | S | S | * | * | trans | -76.2 | 95.8 | 175.6 | 171.6 | 171.6 | -87.5 | 172.2 | -5.6 | 107.1 | R135 P139 | R135-R137 PolarHBondContact O-N 2.88Å; R137-P139 WeakPolarHBondContact O-CD 3.16Å | ||
| 138 | D | 47.6 | Very low | 50 | Low | 80 Ų | 80 | 149.6 Ų | 149.6 | 43% | 0.428 | 72% | 0.721 | S | S | . | * | trans | -46 | 112.1 | 180 | -153.9 | -34.6 | 0 | 0 | 0 | 110.3 | S136 K140 | S136-D138 PolarHBondContact O-N 2.99Å; D138-K140 PolarHBondContact O-N 3.49Å; D138-K140 WeakPolarHBondContact OD1-CD 3.29Å; D138-K140 WeakPolarHBondContact OD1-CE 3.3Å; D138-K140 VanDerWaalsContact OD1-CG 3.26Å; D138-K140 WeakPolarHBondContact OD1-CG 3.47Å; D138-K140 IonicContact OD1-NZ 3.34Å; D138-K140 PolarHBondContact OD1-NZ 3.28Å; D138-K140 IonicContact OD2-NZ 3.39Å; D138-K140 PolarHBondContact OD2-NZ 2.73Å | ||
| 139 | P | 48.6 | Very low | 51.9 | Low | 105 Ų | 105 | 141.1 Ų | 141.1 | 68% | 0.682 | 70% | 0.698 | S | S | * | * | G | 310 helix | trans | -70.3 | -2.5 | -168.1 | 26.3 | -34.2 | 0 | 0 | 0 | 113.5 | R137 T141 Y142 | R137-P139 WeakPolarHBondContact O-CD 3.16Å; P139-T141 VanDerWaalsContact C-N 3.28Å; P139-T141 PolarHBondContact O-N 3.19Å; P139-Y142 PolarHBondContact O-N 3.3Å |
| 140 | K | 51 | Low | 53.7 | Low | 151 Ų | 151 | 143.8 Ų | 143.8 | 66% | 0.657 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -63.1 | -27.3 | -179.1 | -64 | 171.8 | -163.5 | 129.6 | 0 | 113.6 | D138 Y142 R143 | D138-K140 PolarHBondContact O-N 3.49Å; D138-K140 WeakPolarHBondContact OD1-CD 3.29Å; D138-K140 WeakPolarHBondContact OD1-CE 3.3Å; D138-K140 VanDerWaalsContact OD1-CG 3.26Å; D138-K140 WeakPolarHBondContact OD1-CG 3.47Å; D138-K140 IonicContact OD1-NZ 3.34Å; D138-K140 PolarHBondContact OD1-NZ 3.28Å; D138-K140 IonicContact OD2-NZ 3.39Å; D138-K140 PolarHBondContact OD2-NZ 2.73Å; K140-Y142 PolarHBondContact O-N 3.01Å; K140-R143 PolarHBondContact O-N 3.38Å; K140-R143 VanDerWaalsContact O-N 3.08Å |
| 141 | T | 49.2 | Very low | 56.1 | Low | 105 Ų | 105 | 135 Ų | 135 | 64% | 0.644 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -65.8 | -24.3 | -177.9 | -47.1 | 0 | 0 | 0 | 0 | 113.4 | P139 R143 | P139-T141 VanDerWaalsContact C-N 3.28Å; P139-T141 PolarHBondContact O-N 3.19Å; T141-R143 VanDerWaalsContact C-N 3.28Å; T141-R143 PolarHBondContact O-N 3Å |
| 142 | Y | 45.5 | Very low | 58 | Low | 224 Ų | 224 | 134.3 Ų | 134.3 | 88% | 0.878 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -79.3 | -9.2 | 176.9 | -152.4 | -92.8 | 0 | 0 | 0 | 113.3 | P139 K140 | P139-Y142 PolarHBondContact O-N 3.3Å; K140-Y142 PolarHBondContact O-N 3.01Å |
| 143 | R | 43.1 | Very low | 60.4 | Low | 218 Ų | 218 | 131.5 Ų | 131.5 | 82% | 0.823 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -103.4 | 29.4 | 172.4 | -75.1 | -67.6 | -164.1 | 176.6 | 4 | 113 | K140 T141 S145 | K140-R143 PolarHBondContact O-N 3.38Å; K140-R143 VanDerWaalsContact O-N 3.08Å; T141-R143 VanDerWaalsContact C-N 3.28Å; T141-R143 PolarHBondContact O-N 3Å; R143-S145 PolarHBondContact O-N 3.41Å |
| 144 | R | 49.4 | Very low | 62.2 | Low | 202 Ų | 202 | 126.1 Ų | 126.1 | 76% | 0.762 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -55.9 | 110.6 | 154.3 | -170.7 | -173.1 | -56 | -105.7 | 0.6 | 106.6 | Y146 | R144-Y146 PolarHBondContact O-N 3.06Š|
| 145 | S | 51.8 | Low | 64.3 | Low | 61 Ų | 61 | 122.6 Ų | 122.6 | 43% | 0.427 | 57% | 0.574 | S | S | . | * | trans | -48.9 | 133 | -159.8 | 178.5 | 0 | 0 | 0 | 0 | 112.7 | R143 T147 H148 | R143-S145 PolarHBondContact O-N 3.41Å; S145-T147 WeakPolarHBondContact CB-OG1 3.32Å; S145-T147 PolarHBondContact O-N 3.19Å; S145-T147 PolarHBondContact OG-OG1 3.45Å; S145-H148 PolarHBondContact O-N 3.2Å | ||
| 146 | Y | 55.7 | Low | 66.7 | Low | 195 Ų | 195 | 113 Ų | 113 | 77% | 0.765 | 54% | 0.54 | S | S | * | . | G | 310 helix | trans | -58.2 | -21.4 | -176.4 | -163.9 | -99 | 0 | 0 | 0 | 112.3 | R144 H148 A149 | R144-Y146 PolarHBondContact O-N 3.06Å; Y146-H148 PolarHBondContact O-N 2.68Å; Y146-H148 VanDerWaalsContact O-N 3.14Å; Y146-A149 WeakPolarHBondContact O-CB 3.45Å; Y146-A149 PolarHBondContact O-N 2.83Å |
| 147 | T | 63.2 | Low | 68.8 | Low | 74 Ų | 74 | 108 Ų | 108 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -55.5 | -21 | 168.9 | 56.9 | 0 | 0 | 0 | 0 | 114.9 | S145 | S145-T147 WeakPolarHBondContact CB-OG1 3.32Å; S145-T147 PolarHBondContact O-N 3.19Å; S145-T147 PolarHBondContact OG-OG1 3.45Å |
| 148 | H | 73.6 | Confident | 70.7 | Confident | 107 Ų | 107 | 97 Ų | 97 | 50% | 0.495 | 46% | 0.464 | S | S | . | . | G | 310 helix | trans | -109.6 | 5.3 | 177.2 | -58.2 | -74.7 | 0 | 0 | 0 | 113.5 | S145 Y146 F186 | S145-H148 PolarHBondContact O-N 3.2Å; Y146-H148 PolarHBondContact O-N 2.68Å; Y146-H148 VanDerWaalsContact O-N 3.14Å; H148-F186 WeakPolarHBondContact O-CD2 3.34Å |
| 149 | A | 83 | Confident | 73 | Confident | 46 Ų | 46 | 93.2 Ų | 93.2 | 38% | 0.38 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -70.5 | 148.2 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | Y146 P151 | Y146-A149 WeakPolarHBondContact O-CB 3.45Å; Y146-A149 PolarHBondContact O-N 2.83Å; A149-P151 WeakPolarHBondContact O-CD 3.39Å |
| 150 | K | 87.6 | Confident | 75.2 | Confident | 130 Ų | 130 | 88.2 Ų | 88.2 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 123.4 | 171.8 | -178.6 | -178.7 | 174.2 | -171.9 | 0 | 108.9 | F186 | K150-F186 HydrophobicContact CB-CD1 4.17Å; K150-F186 HydrophobicContact CB-CD2 4.24Å; K150-F186 HydrophobicContact CB-CE1 3.85Å; K150-F186 HydrophobicContact CB-CE2 3.91Å; K150-F186 HydrophobicContact CB-CG 4.37Å; K150-F186 HydrophobicContact CB-CZ 3.71Å; K150-F186 HydrophobicContact CD-CE1 4.2Å; K150-F186 HydrophobicContact CD-CZ 4.21Å; K150-F186 HydrophobicContact CG-CD1 4.15Å; K150-F186 HydrophobicContact CG-CE1 3.66Å; K150-F186 HydrophobicContact CG-CZ 3.91Å |
| 151 | P | 88.7 | Confident | 77.2 | Confident | 16 Ų | 16 | 82.1 Ų | 82.1 | 10% | 0.104 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -61 | 149.2 | 179.2 | -23.5 | 34.2 | 0 | 0 | 0 | 112.4 | A149 Y153 F184 Y187 | A149-P151 WeakPolarHBondContact O-CD 3.39Å; P151-Y153 HydrophobicContact CB-CD2 3.71Å; P151-Y153 HydrophobicContact CB-CE2 4.36Å; P151-Y153 PolarHBondContact O-N 2.65Å; P151-F184 HydrophobicContact CB-CD1 4.01Å; P151-F184 HydrophobicContact CB-CE1 4.03Å; P151-F184 HydrophobicContact CB-CG 4.5Å; P151-F184 HydrophobicContact CG-CB 3.9Å; P151-F184 HydrophobicContact CG-CD1 3.33Å; P151-F184 HydrophobicContact CG-CD2 4.38Å; P151-F184 HydrophobicContact CG-CE1 3.88Å; P151-F184 HydrophobicContact CG-CG 3.62Å; P151-Y187 HydrophobicContact CG-CE2 4.05Å |
| 152 | P | 88.1 | Confident | 79.4 | Confident | 89 Ų | 89 | 77.1 Ų | 77.1 | 58% | 0.578 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -74.3 | 21.1 | 179.7 | 32.7 | -37 | 0 | 0 | 0 | 114 | L240 | P152-L240 HydrophobicContact CB-CD2 4.34Š|
| 153 | Y | 90.5 | Very high | 81.8 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 33% | 0.325 | 31% | 0.313 | S | S | . | . | trans | -100.2 | 145.6 | -174.4 | -61.1 | -54.6 | 0 | 0 | 0 | 112.2 | P151 L158 M161 F184 | P151-Y153 HydrophobicContact CB-CD2 3.71Å; P151-Y153 HydrophobicContact CB-CE2 4.36Å; P151-Y153 PolarHBondContact O-N 2.65Å; Y153-L158 HydrophobicContact CD2-CD2 4.31Å; Y153-M161 HydrophobicContact CD1-CE 4.21Å; Y153-M161 HydrophobicContact CD2-CE 3.94Å; Y153-M161 HydrophobicContact CE2-CE 4.28Å; Y153-M161 HydrophobicContact CG-CE 3.92Å; Y153-F184 HydrophobicContact CD2-CE1 4.21Å; Y153-F184 HydrophobicContact CD2-CE2 4.39Å; Y153-F184 AromaticContact CD2-CZ 3.72Å; Y153-F184 HydrophobicContact CD2-CZ 3.72Å; Y153-F184 HydrophobicContact CE2-CE1 4.05Å; Y153-F184 AromaticContact CE2-CZ 3.71Å; Y153-F184 HydrophobicContact CE2-CZ 3.71Å | ||
| 154 | S | 93 | Very high | 84.1 | Confident | 40 Ų | 40 | 58.5 Ų | 58.5 | 28% | 0.28 | 29% | 0.285 | S | S | . | . | trans | -78.4 | 158.8 | 169.9 | 83.7 | 0 | 0 | 0 | 0 | 110.6 | I156 S157 L158 | S154-I156 PolarHBondContact O-N 2.69Å; S154-I156 PolarHBondContact OG-N 3.4Å; S154-S157 PolarHBondContact N-OG 3.28Å; S154-S157 WeakPolarHBondContact O-CA 3.35Å; S154-S157 WeakPolarHBondContact O-CB 3.36Å; S154-S157 PolarHBondContact O-N 3.04Å; S154-S157 PolarHBondContact OG-N 2.88Å; S154-S157 VanDerWaalsContact OG-N 3.09Å; S154-S157 PolarHBondContact OG-OG 2.9Å; S154-L158 WeakPolarHBondContact O-CG 3.45Å; S154-L158 PolarHBondContact O-N 3.19Å | ||
| 155 | Y | 95.3 | Very high | 86.2 | Confident | 65 Ų | 65 | 54.8 Ų | 54.8 | 26% | 0.255 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -58.3 | -34.3 | 174 | -64.9 | -57.5 | 0 | 0 | 0 | 112.6 | L158 I159 Y187 W194 I198 S201 | Y155-L158 HydrophobicContact CD1-CD1 4.21Å; Y155-L158 PolarHBondContact O-N 3.17Å; Y155-I159 VanDerWaalsContact O-CD1 3.29Å; Y155-I159 WeakPolarHBondContact O-CD1 3.26Å; Y155-I159 WeakPolarHBondContact O-CG1 3.47Å; Y155-I159 PolarHBondContact O-N 2.88Å; Y155-Y187 HydrophobicContact CE1-CE1 4.18Å; Y155-W194 HydrophobicContact CE1-CB 4.26Å; Y155-I198 HydrophobicContact CD1-CD1 3.81Å; Y155-I198 HydrophobicContact CD1-CG1 4.36Å; Y155-I198 HydrophobicContact CG-CD1 4.33Å; Y155-S201 WeakPolarHBondContact CB-OG 3.39Å |
| 156 | I | 93.7 | Very high | 88.2 | Confident | 44 Ų | 44 | 52.2 Ų | 52.2 | 23% | 0.226 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.7 | -49.4 | 172.8 | -56.6 | 174.7 | 0 | 0 | 0 | 109.3 | S154 L158 I159 T160 F208 F234 | S154-I156 PolarHBondContact O-N 2.69Å; S154-I156 PolarHBondContact OG-N 3.4Å; I156-L158 VanDerWaalsContact C-N 3.35Å; I156-L158 PolarHBondContact O-N 3.05Å; I156-I159 PolarHBondContact O-N 3Å; I156-T160 WeakPolarHBondContact O-CB 3.43Å; I156-T160 PolarHBondContact O-N 2.84Å; I156-T160 PolarHBondContact O-OG1 2.82Å; I156-T160 VanDerWaalsContact O-OG1 3.05Å; I156-F208 HydrophobicContact CB-CE2 4.39Å; I156-F208 HydrophobicContact CB-CZ 4.36Å; I156-F208 HydrophobicContact CG1-CE2 4.4Å; I156-F208 HydrophobicContact CG2-CE2 3.96Å; I156-F208 HydrophobicContact CG2-CZ 3.73Å; I156-F234 HydrophobicContact CG2-CE1 3.92Å; I156-F234 HydrophobicContact CG2-CZ 3.68Å |
| 157 | S | 92.4 | Very high | 90 | Very high | 2 Ų | 2 | 49.1 Ų | 49.1 | 1% | 0.014 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59 | -43 | 178.9 | -38.4 | 0 | 0 | 0 | 0 | 112.4 | S154 T160 M161 Y239 | S154-S157 PolarHBondContact N-OG 3.28Å; S154-S157 WeakPolarHBondContact O-CA 3.35Å; S154-S157 WeakPolarHBondContact O-CB 3.36Å; S154-S157 PolarHBondContact O-N 3.04Å; S154-S157 PolarHBondContact OG-N 2.88Å; S154-S157 VanDerWaalsContact OG-N 3.09Å; S154-S157 PolarHBondContact OG-OG 2.9Å; S157-T160 PolarHBondContact O-N 3.34Å; S157-M161 WeakPolarHBondContact O-CE 3.19Å; S157-M161 WeakPolarHBondContact O-CG 3.43Å; S157-M161 PolarHBondContact O-N 3.32Å; S157-Y239 VanDerWaalsContact CB-O 3.26Å; S157-Y239 WeakPolarHBondContact CB-O 3.48Å; S157-Y239 PolarHBondContact OG-O 2.94Å |
| 158 | L | 94.7 | Very high | 91.3 | Very high | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.2 | -47.7 | 177.7 | -67.8 | 173.2 | 0 | 0 | 0 | 111.8 | Y153 S154 Y155 I156 M161 A162 W179 I180 F184 Y187 | Y153-L158 HydrophobicContact CD2-CD2 4.31Å; S154-L158 WeakPolarHBondContact O-CG 3.45Å; S154-L158 PolarHBondContact O-N 3.19Å; Y155-L158 HydrophobicContact CD1-CD1 4.21Å; Y155-L158 PolarHBondContact O-N 3.17Å; I156-L158 VanDerWaalsContact C-N 3.35Å; I156-L158 PolarHBondContact O-N 3.05Å; L158-M161 HydrophobicContact CD2-CE 4.03Å; L158-M161 PolarHBondContact O-N 3.19Å; L158-A162 PolarHBondContact O-N 2.94Å; L158-A162 VanDerWaalsContact O-N 3.1Å; L158-W179 VanDerWaalsContact O-CZ3 3.29Å; L158-W179 WeakPolarHBondContact O-CZ3 3.32Å; L158-I180 HydrophobicContact CB-CD1 3.99Å; L158-I180 HydrophobicContact CB-CG1 4.27Å; L158-I180 HydrophobicContact CD1-CD1 4.47Å; L158-F184 HydrophobicContact CD2-CD2 3.69Å; L158-F184 HydrophobicContact CD2-CE2 3.34Å; L158-F184 HydrophobicContact CD2-CZ 4.21Å; L158-Y187 HydrophobicContact CD1-CE2 3.96Å |
| 159 | I | 95.8 | Very high | 92.3 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 177.2 | -63.4 | 158.7 | 0 | 0 | 0 | 110.5 | Y155 I156 A162 I163 I176 I198 L202 F208 | Y155-I159 VanDerWaalsContact O-CD1 3.29Å; Y155-I159 WeakPolarHBondContact O-CD1 3.26Å; Y155-I159 WeakPolarHBondContact O-CG1 3.47Å; Y155-I159 PolarHBondContact O-N 2.88Å; I156-I159 PolarHBondContact O-N 3Å; I159-A162 PolarHBondContact O-N 2.95Å; I159-I163 HydrophobicContact CG2-CD1 3.74Å; I159-I163 HydrophobicContact CG2-CG1 4.41Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 2.81Å; I159-I176 HydrophobicContact CG1-CG2 4.14Å; I159-I176 HydrophobicContact CG2-CD1 4.31Å; I159-I198 HydrophobicContact CD1-CD1 4.03Å; I159-I198 HydrophobicContact CD1-CG2 4.25Å; I159-I198 HydrophobicContact CG1-CD1 3.87Å; I159-I198 HydrophobicContact CG1-CG2 4.34Å; I159-L202 HydrophobicContact CD1-CD2 4.03Å; I159-L202 HydrophobicContact CD1-CG 3.94Å; I159-L202 HydrophobicContact CG1-CD2 4.47Å; I159-L202 HydrophobicContact CG2-CD2 3.63Å; I159-F208 HydrophobicContact CB-CE1 3.91Å; I159-F208 HydrophobicContact CB-CE2 4.39Å; I159-F208 HydrophobicContact CB-CZ 3.68Å; I159-F208 HydrophobicContact CD1-CE2 4.04Å; I159-F208 HydrophobicContact CD1-CZ 4.19Å; I159-F208 HydrophobicContact CG2-CD1 3.8Å; I159-F208 HydrophobicContact CG2-CE1 3.32Å; I159-F208 HydrophobicContact CG2-CE2 4.26Å; I159-F208 HydrophobicContact CG2-CG 4.46Å; I159-F208 HydrophobicContact CG2-CZ 3.58Å |
| 160 | T | 93.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.7 | -47.6 | 178.9 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | I156 S157 A162 I163 Q164 L226 F234 Y239 | I156-T160 WeakPolarHBondContact O-CB 3.43Å; I156-T160 PolarHBondContact O-N 2.84Å; I156-T160 PolarHBondContact O-OG1 2.82Å; I156-T160 VanDerWaalsContact O-OG1 3.05Å; S157-T160 PolarHBondContact O-N 3.34Å; T160-A162 PolarHBondContact O-N 3.23Å; T160-I163 PolarHBondContact O-N 3.04Å; T160-Q164 HydrophobicContact CG2-CG 4.23Å; T160-Q164 WeakPolarHBondContact O-CB 3.46Å; T160-Q164 VanDerWaalsContact O-CG 3.29Å; T160-Q164 WeakPolarHBondContact O-CG 3.41Å; T160-Q164 PolarHBondContact O-N 3.34Å; T160-Q164 PolarHBondContact O-OE1 3.05Å; T160-L226 HydrophobicContact CG2-CD1 3.99Å; T160-L226 HydrophobicContact CG2-CD2 4.14Å; T160-F234 HydrophobicContact CG2-CB 3.88Å; T160-F234 HydrophobicContact CG2-CD1 3.79Å; T160-F234 HydrophobicContact CG2-CD2 3.88Å; T160-F234 HydrophobicContact CG2-CE1 4.2Å; T160-F234 HydrophobicContact CG2-CE2 4.3Å; T160-F234 HydrophobicContact CG2-CG 3.61Å; T160-F234 HydrophobicContact CG2-CZ 4.44Å; T160-F234 WeakPolarHBondContact OG1-CZ 3.45Å; T160-Y239 HydrophobicContact CG2-CE1 4.42Å |
| 161 | M | 93.8 | Very high | 93.2 | Very high | 23 Ų | 23 | 44.6 Ų | 44.6 | 11% | 0.113 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 177.6 | -72.2 | -176.3 | -66.7 | 0 | 0 | 112 | Y153 S157 L158 Q164 Q165 W179 Y239 | Y153-M161 HydrophobicContact CD1-CE 4.21Å; Y153-M161 HydrophobicContact CD2-CE 3.94Å; Y153-M161 HydrophobicContact CE2-CE 4.28Å; Y153-M161 HydrophobicContact CG-CE 3.92Å; S157-M161 WeakPolarHBondContact O-CE 3.19Å; S157-M161 WeakPolarHBondContact O-CG 3.43Å; S157-M161 PolarHBondContact O-N 3.32Å; L158-M161 HydrophobicContact CD2-CE 4.03Å; L158-M161 PolarHBondContact O-N 3.19Å; M161-Q164 PolarHBondContact O-N 3.5Å; M161-Q165 WeakPolarHBondContact O-CB 3.35Å; M161-Q165 WeakPolarHBondContact O-CG 3.35Å; M161-Q165 PolarHBondContact O-N 3.37Å; M161-W179 HydrophobicContact CB-CH2 3.42Å; M161-W179 VanDerWaalsContact CB-CH2 3.42Å; M161-W179 HydrophobicContact CB-CZ2 3.83Å; M161-W179 HydrophobicContact CB-CZ3 4.31Å; M161-W179 HydrophobicContact CE-CH2 4.27Å; M161-Y239 HydrophobicContact CG-CD1 3.78Å; M161-Y239 HydrophobicContact CG-CE1 3.69Å; M161-Y239 HydrophobicContact SD-CD1 4.18Å |
| 162 | A | 95.6 | Very high | 93.6 | Very high | 1 Ų | 1 | 44.5 Ų | 44.5 | 1% | 0.008 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.6 | -50.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L158 I159 T160 Q164 Q165 S166 L171 W179 | L158-A162 PolarHBondContact O-N 2.94Å; L158-A162 VanDerWaalsContact O-N 3.1Å; I159-A162 PolarHBondContact O-N 2.95Å; T160-A162 PolarHBondContact O-N 3.23Å; A162-Q164 PolarHBondContact O-N 3.34Å; A162-Q165 PolarHBondContact O-N 2.86Å; A162-S166 PolarHBondContact O-N 3.48Å; A162-L171 HydrophobicContact CB-CD1 3.78Å; A162-L171 WeakPolarHBondContact O-CD1 3.25Å; A162-W179 HydrophobicContact CB-CB 4.35Å; A162-W179 HydrophobicContact CB-CD2 3.54Å; A162-W179 HydrophobicContact CB-CE3 3.53Å; A162-W179 HydrophobicContact CB-CG 3.9Å; A162-W179 HydrophobicContact CB-CZ3 4.09Å |
| 163 | I | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 179.7 | -65 | 172.3 | 0 | 0 | 0 | 110.9 | I159 T160 S166 K169 F208 W224 L226 | I159-I163 HydrophobicContact CG2-CD1 3.74Å; I159-I163 HydrophobicContact CG2-CG1 4.41Å; I159-I163 WeakPolarHBondContact O-CG1 3.38Å; I159-I163 PolarHBondContact O-N 2.81Å; T160-I163 PolarHBondContact O-N 3.04Å; I163-S166 PolarHBondContact O-N 3.48Å; I163-S166 PolarHBondContact O-OG 3.05Å; I163-K169 VanDerWaalsContact CG2-O 3.25Å; I163-K169 WeakPolarHBondContact CG2-O 3.43Å; I163-F208 HydrophobicContact CD1-CD1 4.2Å; I163-F208 HydrophobicContact CD1-CE1 4.41Å; I163-W224 HydrophobicContact CD1-CB 4.47Å; I163-L226 HydrophobicContact CB-CD1 4.24Å; I163-L226 HydrophobicContact CB-CG 4.36Å; I163-L226 HydrophobicContact CD1-CG 4.46Å; I163-L226 HydrophobicContact CG2-CD1 3.95Å; I163-L226 HydrophobicContact CG2-CG 3.96Å |
| 164 | Q | 92.1 | Very high | 94.3 | Very high | 49 Ų | 49 | 41.6 Ų | 41.6 | 23% | 0.229 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.9 | -35.9 | 177.1 | -77.1 | 173.1 | -39.5 | 0 | 0 | 113.1 | T160 M161 A162 K169 L226 Y239 | T160-Q164 HydrophobicContact CG2-CG 4.23Å; T160-Q164 WeakPolarHBondContact O-CB 3.46Å; T160-Q164 VanDerWaalsContact O-CG 3.29Å; T160-Q164 WeakPolarHBondContact O-CG 3.41Å; T160-Q164 PolarHBondContact O-N 3.34Å; T160-Q164 PolarHBondContact O-OE1 3.05Å; M161-Q164 PolarHBondContact O-N 3.5Å; A162-Q164 PolarHBondContact O-N 3.34Å; Q164-K169 PolarHBondContact O-NZ 2.95Å; Q164-L226 HydrophobicContact CG-CD1 3.86Å; Q164-Y239 PolarHBondContact OE1-OH 2.72Å |
| 165 | Q | 92.6 | Very high | 94.4 | Very high | 124 Ų | 124 | 43.8 Ų | 43.8 | 58% | 0.579 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -77.8 | -22 | 177 | -70.9 | -178.4 | 8.7 | 0 | 0 | 113.1 | M161 A162 | M161-Q165 WeakPolarHBondContact O-CB 3.35Å; M161-Q165 WeakPolarHBondContact O-CG 3.35Å; M161-Q165 PolarHBondContact O-N 3.37Å; A162-Q165 PolarHBondContact O-N 2.86Å |
| 166 | S | 93.6 | Very high | 94.5 | Very high | 8 Ų | 8 | 40.7 Ų | 40.7 | 6% | 0.056 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -64.2 | 134.8 | 172.2 | 75.4 | 0 | 0 | 0 | 0 | 111.5 | A162 I163 S168 K169 M170 | A162-S166 PolarHBondContact O-N 3.48Å; I163-S166 PolarHBondContact O-N 3.48Å; I163-S166 PolarHBondContact O-OG 3.05Å; S166-S168 PolarHBondContact O-N 2.97Å; S166-K169 PolarHBondContact O-N 3.46Å; S166-K169 VanDerWaalsContact OG-CA 3.32Å; S166-K169 WeakPolarHBondContact OG-CA 3.39Å; S166-K169 PolarHBondContact OG-N 3.31Å; S166-M170 PolarHBondContact OG-N 2.77Å |
| 167 | P | 93.7 | Very high | 94.7 | Very high | 130 Ų | 130 | 40 Ų | 40 | 84% | 0.844 | 22% | 0.217 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.8 | -30.8 | 179.2 | 26.9 | -34.1 | 0 | 0 | 0 | 111.9 | K169 | P167-K169 VanDerWaalsContact C-N 3.29Å; P167-K169 PolarHBondContact O-N 3Å |
| 168 | S | 92.3 | Very high | 94.9 | Very high | 62 Ų | 62 | 44.9 Ų | 44.9 | 43% | 0.434 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -10.1 | 176.2 | 50.5 | 0 | 0 | 0 | 0 | 114.6 | S166 M170 | S166-S168 PolarHBondContact O-N 2.97Å; S168-M170 PolarHBondContact O-N 2.73Å; S168-M170 PolarHBondContact OG-O 3.34Å |
| 169 | K | 93.4 | Very high | 95 | Very high | 117 Ų | 117 | 46.7 Ų | 46.7 | 51% | 0.509 | 25% | 0.247 | S | C | . | . | S | Bend | trans | 49.9 | 26.9 | -168.8 | -52.6 | -62.7 | 172.9 | -179.5 | 0 | 113.7 | I163 Q164 S166 P167 T225 | I163-K169 VanDerWaalsContact CG2-O 3.25Å; I163-K169 WeakPolarHBondContact CG2-O 3.43Å; Q164-K169 PolarHBondContact O-NZ 2.95Å; S166-K169 PolarHBondContact O-N 3.46Å; S166-K169 VanDerWaalsContact OG-CA 3.32Å; S166-K169 WeakPolarHBondContact OG-CA 3.39Å; S166-K169 PolarHBondContact OG-N 3.31Å; P167-K169 VanDerWaalsContact C-N 3.29Å; P167-K169 PolarHBondContact O-N 3Å; K169-T225 WeakPolarHBondContact O-CB 3.3Å; K169-T225 PolarHBondContact O-OG1 2.87Å |
| 170 | M | 93.7 | Very high | 95 | Very high | 64 Ų | 64 | 46.7 Ų | 46.7 | 32% | 0.315 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 139.8 | 174.4 | 70.4 | -175.9 | 78.9 | 0 | 0 | 110.5 | S166 S168 F223 W224 | S166-M170 PolarHBondContact OG-N 2.77Å; S168-M170 PolarHBondContact O-N 2.73Å; S168-M170 PolarHBondContact OG-O 3.34Å; M170-F223 HydrophobicContact CB-CB 4.42Å; M170-F223 HydrophobicContact CG-CB 4.38Å; M170-F223 HydrophobicContact CG-CD1 4.15Å; M170-F223 HydrophobicContact CG-CG 4.33Å; M170-F223 HydrophobicContact SD-CB 4.2Å; M170-F223 HydrophobicContact SD-CD1 4.44Å; M170-F223 HydrophobicContact SD-CD2 4.42Å; M170-F223 HydrophobicContact SD-CG 4.12Å; M170-W224 CarbonylContact C-O 3.59Å; M170-W224 VanDerWaalsContact CA-O 3.26Å; M170-W224 WeakPolarHBondContact CA-O 3.4Å |
| 171 | L | 96.2 | Very high | 95.1 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 10% | 0.099 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 149.4 | -179.9 | -70 | -179.7 | 0 | 0 | 0 | 111.2 | A162 E175 I176 W224 | A162-L171 HydrophobicContact CB-CD1 3.78Å; A162-L171 WeakPolarHBondContact O-CD1 3.25Å; L171-E175 HydrophobicContact CB-CB 4.31Å; L171-E175 HydrophobicContact CD2-CB 3.95Å; L171-I176 HydrophobicContact CB-CD1 4.26Å; L171-I176 HydrophobicContact CB-CG1 3.82Å; L171-I176 HydrophobicContact CD1-CG1 4.12Å; L171-W224 PolarHBondContact N-O 3.23Å; L171-W224 PolarHBondContact O-N 2.58Å |
| 172 | T | 96.8 | Very high | 95.1 | Very high | 13 Ų | 13 | 51.3 Ų | 51.3 | 8% | 0.08 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.5 | 163.4 | 166.8 | 69.9 | 0 | 0 | 0 | 0 | 111.1 | A174 E175 I176 F223 | T172-A174 PolarHBondContact O-N 3.04Å; T172-A174 PolarHBondContact OG1-N 2.93Å; T172-E175 WeakPolarHBondContact CA-OE2 3.24Å; T172-E175 WeakPolarHBondContact CB-OE2 3.17Å; T172-E175 VanDerWaalsContact CG2-OE2 3.24Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.42Å; T172-E175 PolarHBondContact N-OE2 3.2Å; T172-E175 PolarHBondContact O-N 2.85Å; T172-E175 PolarHBondContact OG1-N 3.22Å; T172-E175 PolarHBondContact OG1-OE2 2.89Å; T172-I176 WeakPolarHBondContact O-CG1 3.29Å; T172-I176 PolarHBondContact O-N 2.61Å; T172-I176 VanDerWaalsContact O-N 3.14Å; T172-F223 HydrophobicContact CG2-CD1 3.68Å; T172-F223 HydrophobicContact CG2-CE1 3.61Å; T172-F223 HydrophobicContact CG2-CG 4.47Å; T172-F223 HydrophobicContact CG2-CZ 4.37Å |
| 173 | L | 96.5 | Very high | 95 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 27% | 0.272 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -56 | -30.4 | 173.8 | -179 | 62.5 | 0 | 0 | 0 | 113.4 | Y177 I198 R199 L202 | L173-Y177 HydrophobicContact CD1-CD1 4.4Å; L173-Y177 HydrophobicContact CD1-CE1 3.56Å; L173-Y177 HydrophobicContact CG-CE1 4.03Å; L173-Y177 HydrophobicContact CG-CE2 4.1Å; L173-Y177 WeakPolarHBondContact O-CD1 2.98Å; L173-Y177 VanDerWaalsContact O-CG 3.31Å; L173-Y177 PolarHBondContact O-N 3.09Å; L173-I198 HydrophobicContact CD1-CG2 4.14Å; L173-R199 HydrophobicContact CD1-CG 4.02Å; L173-R199 HydrophobicContact CD2-CG 3.95Å; L173-L202 HydrophobicContact CD1-CD1 3.61Å |
| 174 | A | 96.4 | Very high | 95 | Very high | 59 Ų | 59 | 56.9 Ų | 56.9 | 49% | 0.488 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -74.4 | -45.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112 | T172 I176 Y177 Q178 | T172-A174 PolarHBondContact O-N 3.04Å; T172-A174 PolarHBondContact OG1-N 2.93Å; A174-I176 VanDerWaalsContact C-N 3.31Å; A174-I176 PolarHBondContact O-N 2.71Å; A174-Y177 WeakPolarHBondContact O-CB 3.36Å; A174-Y177 PolarHBondContact O-N 3.38Å; A174-Y177 VanDerWaalsContact O-N 3.1Å; A174-Q178 PolarHBondContact O-N 3.43Å; A174-Q178 VanDerWaalsContact O-N 3.12Å |
| 175 | E | 96.4 | Very high | 95 | Very high | 87 Ų | 87 | 55.9 Ų | 55.9 | 41% | 0.407 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -64.7 | -36.8 | 178 | -67.2 | 149.9 | 137.3 | 0 | 0 | 111.4 | L171 T172 Y177 Q178 W179 | L171-E175 HydrophobicContact CB-CB 4.31Å; L171-E175 HydrophobicContact CD2-CB 3.95Å; T172-E175 WeakPolarHBondContact CA-OE2 3.24Å; T172-E175 WeakPolarHBondContact CB-OE2 3.17Å; T172-E175 VanDerWaalsContact CG2-OE2 3.24Å; T172-E175 WeakPolarHBondContact CG2-OE2 3.42Å; T172-E175 PolarHBondContact N-OE2 3.2Å; T172-E175 PolarHBondContact O-N 2.85Å; T172-E175 PolarHBondContact OG1-N 3.22Å; T172-E175 PolarHBondContact OG1-OE2 2.89Å; E175-Y177 VanDerWaalsContact C-N 3.29Å; E175-Y177 PolarHBondContact O-N 2.82Å; E175-Q178 PolarHBondContact O-N 2.69Å; E175-W179 WeakPolarHBondContact O-CB 3.26Å; E175-W179 PolarHBondContact O-N 3.42Å |
| 176 | I | 97.2 | Very high | 95 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60 | -38.3 | 172.4 | -66.8 | 164.9 | 0 | 0 | 0 | 111.3 | I159 L171 T172 A174 I180 I198 L202 W224 | I159-I176 HydrophobicContact CG1-CG2 4.14Å; I159-I176 HydrophobicContact CG2-CD1 4.31Å; L171-I176 HydrophobicContact CB-CD1 4.26Å; L171-I176 HydrophobicContact CB-CG1 3.82Å; L171-I176 HydrophobicContact CD1-CG1 4.12Å; T172-I176 WeakPolarHBondContact O-CG1 3.29Å; T172-I176 PolarHBondContact O-N 2.61Å; T172-I176 VanDerWaalsContact O-N 3.14Å; A174-I176 VanDerWaalsContact C-N 3.31Å; A174-I176 PolarHBondContact O-N 2.71Å; I176-I180 HydrophobicContact CG2-CD1 4.06Å; I176-I180 WeakPolarHBondContact O-CD1 3.46Å; I176-I180 VanDerWaalsContact O-CG1 3.23Å; I176-I180 WeakPolarHBondContact O-CG1 3.34Å; I176-I180 PolarHBondContact O-N 2.94Å; I176-I198 HydrophobicContact CG2-CG2 4Å; I176-L202 HydrophobicContact CD1-CD1 4.34Å; I176-L202 HydrophobicContact CD1-CD2 4.29Å; I176-W224 HydrophobicContact CD1-CB 4.37Å |
| 177 | Y | 96.9 | Very high | 95.1 | Very high | 29 Ų | 29 | 53.5 Ų | 53.5 | 11% | 0.114 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.4 | -44.6 | 175.7 | -61.6 | -23.5 | 0 | 0 | 0 | 112 | L173 A174 E175 I180 M181 W194 Q195 I198 R199 | L173-Y177 HydrophobicContact CD1-CD1 4.4Å; L173-Y177 HydrophobicContact CD1-CE1 3.56Å; L173-Y177 HydrophobicContact CG-CE1 4.03Å; L173-Y177 HydrophobicContact CG-CE2 4.1Å; L173-Y177 WeakPolarHBondContact O-CD1 2.98Å; L173-Y177 VanDerWaalsContact O-CG 3.31Å; L173-Y177 PolarHBondContact O-N 3.09Å; A174-Y177 WeakPolarHBondContact O-CB 3.36Å; A174-Y177 PolarHBondContact O-N 3.38Å; A174-Y177 VanDerWaalsContact O-N 3.1Å; E175-Y177 VanDerWaalsContact C-N 3.29Å; E175-Y177 PolarHBondContact O-N 2.82Å; Y177-I180 PolarHBondContact O-N 3.34Å; Y177-M181 WeakPolarHBondContact O-CG 3.43Å; Y177-M181 PolarHBondContact O-N 3.01Å; Y177-M181 VanDerWaalsContact O-N 3.13Å; Y177-W194 HydrophobicContact CD1-CH2 4.26Å; Y177-W194 AromaticContact CD1-CZ3 3.94Å; Y177-W194 HydrophobicContact CD1-CZ3 3.94Å; Y177-W194 HydrophobicContact CG-CH2 4.41Å; Y177-Q195 HydrophobicContact CD1-CB 4.35Å; Y177-Q195 HydrophobicContact CD1-CG 3.79Å; Y177-Q195 HydrophobicContact CD2-CG 4.22Å; Y177-Q195 HydrophobicContact CE1-CB 3.72Å; Y177-Q195 HydrophobicContact CE1-CG 3.66Å; Y177-Q195 HydrophobicContact CE2-CB 4.42Å; Y177-Q195 HydrophobicContact CE2-CG 4.12Å; Y177-Q195 HydrophobicContact CG-CG 4.07Å; Y177-I198 HydrophobicContact CD1-CG2 4.34Å; Y177-I198 HydrophobicContact CE1-CB 4.24Å; Y177-I198 HydrophobicContact CE1-CG2 3.96Å; Y177-R199 WeakPolarHBondContact OH-CG 3.48Å; Y177-R199 PolarHBondContact OH-NH1 3.4Å |
| 178 | Q | 97 | Very high | 95.1 | Very high | 104 Ų | 104 | 53.3 Ų | 53.3 | 49% | 0.486 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -63.5 | -53.2 | -179.2 | -60.1 | -59.2 | -4.4 | 0 | 0 | 110.7 | A174 E175 I180 M181 D182 | A174-Q178 PolarHBondContact O-N 3.43Å; A174-Q178 VanDerWaalsContact O-N 3.12Å; E175-Q178 PolarHBondContact O-N 2.69Å; Q178-I180 PolarHBondContact O-N 3.43Å; Q178-I180 VanDerWaalsContact O-N 3.1Å; Q178-M181 CarbonylContact O-C 3.54Å; Q178-M181 WeakPolarHBondContact O-CA 3.29Å; Q178-M181 PolarHBondContact O-N 2.88Å; Q178-D182 VanDerWaalsContact O-CG 3.22Å; Q178-D182 PolarHBondContact O-N 3.26Å; Q178-D182 VanDerWaalsContact O-OD2 3.12Å |
| 179 | W | 96.8 | Very high | 95 | Very high | 39 Ų | 39 | 57 Ų | 57 | 15% | 0.148 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -52.7 | -39.9 | 179.1 | -178.5 | 95.3 | 0 | 0 | 0 | 113.1 | L158 M161 A162 E175 L183 F184 | L158-W179 VanDerWaalsContact O-CZ3 3.29Å; L158-W179 WeakPolarHBondContact O-CZ3 3.32Å; M161-W179 HydrophobicContact CB-CH2 3.42Å; M161-W179 VanDerWaalsContact CB-CH2 3.42Å; M161-W179 HydrophobicContact CB-CZ2 3.83Å; M161-W179 HydrophobicContact CB-CZ3 4.31Å; M161-W179 HydrophobicContact CE-CH2 4.27Å; A162-W179 HydrophobicContact CB-CB 4.35Å; A162-W179 HydrophobicContact CB-CD2 3.54Å; A162-W179 HydrophobicContact CB-CE3 3.53Å; A162-W179 HydrophobicContact CB-CG 3.9Å; A162-W179 HydrophobicContact CB-CZ3 4.09Å; E175-W179 WeakPolarHBondContact O-CB 3.26Å; E175-W179 PolarHBondContact O-N 3.42Å; W179-L183 HydrophobicContact CH2-CD2 3.48Å; W179-L183 VanDerWaalsContact CH2-CD2 3.48Å; W179-L183 HydrophobicContact CZ2-CD2 3.4Å; W179-L183 HydrophobicContact CZ3-CD2 4.21Å; W179-L183 WeakPolarHBondContact O-CB 3.2Å; W179-L183 PolarHBondContact O-N 3.1Å; W179-L183 VanDerWaalsContact O-N 3.08Å; W179-F184 HydrophobicContact CH2-CE2 4.26Å; W179-F184 HydrophobicContact CZ3-CE2 4.23Å |
| 180 | I | 96.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.2 | -41.5 | 175.8 | -68.4 | 174.4 | 0 | 0 | 0 | 111.4 | L158 I176 Y177 Q178 F184 Y187 W194 I198 | L158-I180 HydrophobicContact CB-CD1 3.99Å; L158-I180 HydrophobicContact CB-CG1 4.27Å; L158-I180 HydrophobicContact CD1-CD1 4.47Å; I176-I180 HydrophobicContact CG2-CD1 4.06Å; I176-I180 WeakPolarHBondContact O-CD1 3.46Å; I176-I180 VanDerWaalsContact O-CG1 3.23Å; I176-I180 WeakPolarHBondContact O-CG1 3.34Å; I176-I180 PolarHBondContact O-N 2.94Å; Y177-I180 PolarHBondContact O-N 3.34Å; Q178-I180 PolarHBondContact O-N 3.43Å; Q178-I180 VanDerWaalsContact O-N 3.1Å; I180-F184 WeakPolarHBondContact O-CA 3.29Å; I180-F184 WeakPolarHBondContact O-CB 3.47Å; I180-F184 PolarHBondContact O-N 2.95Å; I180-Y187 HydrophobicContact CG2-CD1 4.38Å; I180-Y187 HydrophobicContact CG2-CD2 3.52Å; I180-Y187 HydrophobicContact CG2-CE2 4.16Å; I180-Y187 HydrophobicContact CG2-CG 3.65Å; I180-W194 HydrophobicContact CB-CZ3 4.5Å; I180-W194 HydrophobicContact CD1-CZ3 4.4Å; I180-W194 HydrophobicContact CG2-CH2 4.38Å; I180-W194 HydrophobicContact CG2-CZ3 4.22Å; I180-I198 HydrophobicContact CD1-CD1 3.54Å; I180-I198 HydrophobicContact CD1-CG1 4.19Å |
| 181 | M | 95.1 | Very high | 94.9 | Very high | 15 Ų | 15 | 58.2 Ų | 58.2 | 7% | 0.074 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -72.2 | -33.8 | 178.7 | -70.7 | -172 | -58.3 | 0 | 0 | 112.8 | Y177 Q178 R188 Q191 W194 | Y177-M181 WeakPolarHBondContact O-CG 3.43Å; Y177-M181 PolarHBondContact O-N 3.01Å; Y177-M181 VanDerWaalsContact O-N 3.13Å; Q178-M181 CarbonylContact O-C 3.54Å; Q178-M181 WeakPolarHBondContact O-CA 3.29Å; Q178-M181 PolarHBondContact O-N 2.88Å; M181-R188 HydrophobicContact CB-CG 4.07Å; M181-R188 HydrophobicContact CG-CG 4.43Å; M181-R188 VanDerWaalsContact O-CZ 3.28Å; M181-R188 PolarHBondContact O-NE 3.31Å; M181-R188 PolarHBondContact O-NH2 3.45Å; M181-Q191 HydrophobicContact SD-CG 4.22Å; M181-W194 HydrophobicContact CG-CH2 3.94Å; M181-W194 HydrophobicContact CG-CZ2 3.67Å; M181-W194 HydrophobicContact SD-CH2 4.33Å; M181-W194 HydrophobicContact SD-CZ2 3.87Å |
| 182 | D | 94.9 | Very high | 94.9 | Very high | 105 Ų | 105 | 64.3 Ų | 64.3 | 56% | 0.561 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -68.7 | -55.2 | 178.5 | -64.5 | -33.3 | 0 | 0 | 0 | 110.3 | Q178 R188 | Q178-D182 VanDerWaalsContact O-CG 3.22Å; Q178-D182 PolarHBondContact O-N 3.26Å; Q178-D182 VanDerWaalsContact O-OD2 3.12Å; D182-R188 PolarHBondContact O-NH2 3.06Å |
| 183 | L | 93.4 | Very high | 94.8 | Very high | 86 Ų | 86 | 73.3 Ų | 73.3 | 45% | 0.45 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -72.3 | -31.9 | -177.5 | -172.5 | 61.8 | 0 | 0 | 0 | 113.5 | W179 | W179-L183 HydrophobicContact CH2-CD2 3.48Å; W179-L183 VanDerWaalsContact CH2-CD2 3.48Å; W179-L183 HydrophobicContact CZ2-CD2 3.4Å; W179-L183 HydrophobicContact CZ3-CD2 4.21Å; W179-L183 WeakPolarHBondContact O-CB 3.2Å; W179-L183 PolarHBondContact O-N 3.1Å; W179-L183 VanDerWaalsContact O-N 3.08Å |
| 184 | F | 93.1 | Very high | 94.8 | Very high | 32 Ų | 32 | 71.4 Ų | 71.4 | 14% | 0.14 | 34% | 0.337 | C | S | . | . | trans | -128.1 | 89.1 | -174.6 | -59.6 | -64.5 | 0 | 0 | 0 | 112.1 | P151 Y153 L158 W179 I180 F186 Y187 | P151-F184 HydrophobicContact CB-CD1 4.01Å; P151-F184 HydrophobicContact CB-CE1 4.03Å; P151-F184 HydrophobicContact CB-CG 4.5Å; P151-F184 HydrophobicContact CG-CB 3.9Å; P151-F184 HydrophobicContact CG-CD1 3.33Å; P151-F184 HydrophobicContact CG-CD2 4.38Å; P151-F184 HydrophobicContact CG-CE1 3.88Å; P151-F184 HydrophobicContact CG-CG 3.62Å; Y153-F184 HydrophobicContact CD2-CE1 4.21Å; Y153-F184 HydrophobicContact CD2-CE2 4.39Å; Y153-F184 AromaticContact CD2-CZ 3.72Å; Y153-F184 HydrophobicContact CD2-CZ 3.72Å; Y153-F184 HydrophobicContact CE2-CE1 4.05Å; Y153-F184 AromaticContact CE2-CZ 3.71Å; Y153-F184 HydrophobicContact CE2-CZ 3.71Å; L158-F184 HydrophobicContact CD2-CD2 3.69Å; L158-F184 HydrophobicContact CD2-CE2 3.34Å; L158-F184 HydrophobicContact CD2-CZ 4.21Å; W179-F184 HydrophobicContact CH2-CE2 4.26Å; W179-F184 HydrophobicContact CZ3-CE2 4.23Å; I180-F184 WeakPolarHBondContact O-CA 3.29Å; I180-F184 WeakPolarHBondContact O-CB 3.47Å; I180-F184 PolarHBondContact O-N 2.95Å; F184-F186 PolarHBondContact O-N 3.26Å; F184-Y187 HydrophobicContact CB-CD2 3.76Å; F184-Y187 HydrophobicContact CB-CE2 4.21Å; F184-Y187 PolarHBondContact O-N 3.44Å | ||
| 185 | P | 92.4 | Very high | 94.8 | Very high | 29 Ų | 29 | 69.7 Ų | 69.7 | 19% | 0.188 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -53 | -24.5 | -176.3 | -28.7 | 34.3 | 0 | 0 | 0 | 116 | Y187 R188 | P185-Y187 PolarHBondContact O-N 3.41Å; P185-R188 PolarHBondContact O-N 3.39Å |
| 186 | F | 93.1 | Very high | 94.9 | Very high | 78 Ų | 78 | 70 Ų | 70 | 34% | 0.342 | 32% | 0.324 | S | S | . | . | G | 310 helix | trans | -49 | -38.3 | 170.3 | 173.2 | -100 | 0 | 0 | 0 | 113.6 | H148 K150 F184 R188 | H148-F186 WeakPolarHBondContact O-CD2 3.34Å; K150-F186 HydrophobicContact CB-CD1 4.17Å; K150-F186 HydrophobicContact CB-CD2 4.24Å; K150-F186 HydrophobicContact CB-CE1 3.85Å; K150-F186 HydrophobicContact CB-CE2 3.91Å; K150-F186 HydrophobicContact CB-CG 4.37Å; K150-F186 HydrophobicContact CB-CZ 3.71Å; K150-F186 HydrophobicContact CD-CE1 4.2Å; K150-F186 HydrophobicContact CD-CZ 4.21Å; K150-F186 HydrophobicContact CG-CD1 4.15Å; K150-F186 HydrophobicContact CG-CE1 3.66Å; K150-F186 HydrophobicContact CG-CZ 3.91Å; F184-F186 PolarHBondContact O-N 3.26Å; F186-R188 PolarHBondContact O-N 3.14Å |
| 187 | Y | 94.4 | Very high | 94.9 | Very high | 3 Ų | 3 | 71.7 Ų | 71.7 | 1% | 0.012 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -83.7 | -3.2 | -175 | -69 | -74.7 | 0 | 0 | 0 | 114.6 | P151 Y155 L158 I180 F184 P185 Q189 W194 | P151-Y187 HydrophobicContact CG-CE2 4.05Å; Y155-Y187 HydrophobicContact CE1-CE1 4.18Å; L158-Y187 HydrophobicContact CD1-CE2 3.96Å; I180-Y187 HydrophobicContact CG2-CD1 4.38Å; I180-Y187 HydrophobicContact CG2-CD2 3.52Å; I180-Y187 HydrophobicContact CG2-CE2 4.16Å; I180-Y187 HydrophobicContact CG2-CG 3.65Å; F184-Y187 HydrophobicContact CB-CD2 3.76Å; F184-Y187 HydrophobicContact CB-CE2 4.21Å; F184-Y187 PolarHBondContact O-N 3.44Å; P185-Y187 PolarHBondContact O-N 3.41Å; Y187-Q189 PolarHBondContact O-N 3.3Å; Y187-W194 HydrophobicContact CD1-CB 4.08Å; Y187-W194 AromaticContact CD1-CD1 3.78Å; Y187-W194 AromaticContact CD1-CD2 3.8Å; Y187-W194 HydrophobicContact CD1-CD2 3.8Å; Y187-W194 HydrophobicContact CD1-CE3 4.38Å; Y187-W194 AromaticContact CD1-CG 3.64Å; Y187-W194 HydrophobicContact CD1-CG 3.64Å; Y187-W194 AromaticContact CD1-NE1 3.97Å; Y187-W194 HydrophobicContact CE1-CB 4.21Å; Y187-W194 HydrophobicContact CE1-CG 4.27Å; Y187-W194 HydrophobicContact CG-CD2 4.47Å; Y187-W194 VanDerWaalsContact O-CZ2 3.26Å; Y187-W194 WeakPolarHBondContact O-CZ2 3.15Å; Y187-W194 PolarHBondContact O-NE1 3.24Å |
| 188 | R | 94.3 | Very high | 94.9 | Very high | 127 Ų | 127 | 70.3 Ų | 70.3 | 48% | 0.479 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -64.7 | -27.5 | 177.3 | -65.1 | 175.7 | -170.2 | 169.3 | 6.6 | 112.4 | M181 D182 P185 F186 Q191 | M181-R188 HydrophobicContact CB-CG 4.07Å; M181-R188 HydrophobicContact CG-CG 4.43Å; M181-R188 VanDerWaalsContact O-CZ 3.28Å; M181-R188 PolarHBondContact O-NE 3.31Å; M181-R188 PolarHBondContact O-NH2 3.45Å; D182-R188 PolarHBondContact O-NH2 3.06Å; P185-R188 PolarHBondContact O-N 3.39Å; F186-R188 PolarHBondContact O-N 3.14Å; R188-Q191 WeakPolarHBondContact O-CG 3.45Å; R188-Q191 PolarHBondContact O-NE2 2.73Å; R188-Q191 VanDerWaalsContact O-NE2 3.12Å |
| 189 | Q | 91.4 | Very high | 94.9 | Very high | 140 Ų | 140 | 68.9 Ų | 68.9 | 65% | 0.654 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -92.5 | 162.2 | 176.7 | -60.4 | 179.6 | -0.3 | 0 | 0 | 112 | Y187 Q191 W194 | Y187-Q189 PolarHBondContact O-N 3.3Å; Q189-Q191 PolarHBondContact O-N 3.17Å; Q189-Q191 VanDerWaalsContact O-N 3.14Å; Q189-W194 PolarHBondContact O-NE1 2.94Å |
| 190 | N | 91.1 | Very high | 94.9 | Very high | 125 Ų | 125 | 72.1 Ų | 72.1 | 67% | 0.668 | 34% | 0.337 | S | S | * | . | S | Bend | trans | 55.1 | 31.7 | 172.2 | -66.1 | -76.6 | 0 | 0 | 0 | 115 | Q192 R193 | N190-Q192 VanDerWaalsContact C-N 3.33Å; N190-Q192 PolarHBondContact O-N 3.41Å; N190-Q192 VanDerWaalsContact O-N 3.16Å; N190-R193 PolarHBondContact O-N 2.85Å |
| 191 | Q | 93.7 | Very high | 94.9 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 38% | 0.379 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -48.7 | -47.9 | -168.9 | -67.2 | -170.5 | 26.4 | 0 | 0 | 114.2 | M181 R188 Q189 R193 W194 Q195 | M181-Q191 HydrophobicContact SD-CG 4.22Å; R188-Q191 WeakPolarHBondContact O-CG 3.45Å; R188-Q191 PolarHBondContact O-NE2 2.73Å; R188-Q191 VanDerWaalsContact O-NE2 3.12Å; Q189-Q191 PolarHBondContact O-N 3.17Å; Q189-Q191 VanDerWaalsContact O-N 3.14Å; Q191-R193 PolarHBondContact O-N 2.81Å; Q191-W194 HydrophobicContact CG-CZ2 4.25Å; Q191-W194 PolarHBondContact O-N 2.86Å; Q191-Q195 VanDerWaalsContact O-CB 3.24Å; Q191-Q195 WeakPolarHBondContact O-CB 3.47Å; Q191-Q195 VanDerWaalsContact O-CG 3.24Å; Q191-Q195 WeakPolarHBondContact O-CG 3.37Å; Q191-Q195 PolarHBondContact O-N 2.96Å; Q191-Q195 VanDerWaalsContact OE1-NE2 3.15Å |
| 192 | Q | 95.9 | Very high | 94.9 | Very high | 147 Ų | 147 | 72 Ų | 72 | 69% | 0.687 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -51.9 | -36.5 | -178.4 | -171.8 | 68.4 | -25.8 | 0 | 0 | 113.6 | N190 N196 | N190-Q192 VanDerWaalsContact C-N 3.33Å; N190-Q192 PolarHBondContact O-N 3.41Å; N190-Q192 VanDerWaalsContact O-N 3.16Å; Q192-N196 WeakPolarHBondContact O-CB 3.5Å; Q192-N196 PolarHBondContact O-N 2.93Å |
| 193 | R | 95.2 | Very high | 94.9 | Very high | 201 Ų | 201 | 71.3 Ų | 71.3 | 76% | 0.758 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -75 | -51.2 | -176.5 | -174.5 | 178.1 | -69.6 | -89.2 | 2.5 | 112.2 | N190 Q191 S197 | N190-R193 PolarHBondContact O-N 2.85Å; Q191-R193 PolarHBondContact O-N 2.81Å; R193-S197 PolarHBondContact O-N 3.41Å; R193-S197 PolarHBondContact O-OG 3.03Å |
| 194 | W | 95.7 | Very high | 94.8 | Very high | 12 Ų | 12 | 72.5 Ų | 72.5 | 5% | 0.045 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -79.9 | -32.8 | -176.5 | 67.7 | -104.4 | 0 | 0 | 0 | 112.5 | Y155 Y177 I180 M181 Y187 Q189 Q191 N196 S197 I198 | Y155-W194 HydrophobicContact CE1-CB 4.26Å; Y177-W194 HydrophobicContact CD1-CH2 4.26Å; Y177-W194 AromaticContact CD1-CZ3 3.94Å; Y177-W194 HydrophobicContact CD1-CZ3 3.94Å; Y177-W194 HydrophobicContact CG-CH2 4.41Å; I180-W194 HydrophobicContact CB-CZ3 4.5Å; I180-W194 HydrophobicContact CD1-CZ3 4.4Å; I180-W194 HydrophobicContact CG2-CH2 4.38Å; I180-W194 HydrophobicContact CG2-CZ3 4.22Å; M181-W194 HydrophobicContact CG-CH2 3.94Å; M181-W194 HydrophobicContact CG-CZ2 3.67Å; M181-W194 HydrophobicContact SD-CH2 4.33Å; M181-W194 HydrophobicContact SD-CZ2 3.87Å; Y187-W194 HydrophobicContact CD1-CB 4.08Å; Y187-W194 AromaticContact CD1-CD1 3.78Å; Y187-W194 AromaticContact CD1-CD2 3.8Å; Y187-W194 HydrophobicContact CD1-CD2 3.8Å; Y187-W194 HydrophobicContact CD1-CE3 4.38Å; Y187-W194 AromaticContact CD1-CG 3.64Å; Y187-W194 HydrophobicContact CD1-CG 3.64Å; Y187-W194 AromaticContact CD1-NE1 3.97Å; Y187-W194 HydrophobicContact CE1-CB 4.21Å; Y187-W194 HydrophobicContact CE1-CG 4.27Å; Y187-W194 HydrophobicContact CG-CD2 4.47Å; Y187-W194 VanDerWaalsContact O-CZ2 3.26Å; Y187-W194 WeakPolarHBondContact O-CZ2 3.15Å; Y187-W194 PolarHBondContact O-NE1 3.24Å; Q189-W194 PolarHBondContact O-NE1 2.94Å; Q191-W194 HydrophobicContact CG-CZ2 4.25Å; Q191-W194 PolarHBondContact O-N 2.86Å; W194-N196 PolarHBondContact O-N 3.1Å; W194-S197 CarbonylContact O-C 3.56Å; W194-S197 WeakPolarHBondContact O-CA 3.36Å; W194-S197 WeakPolarHBondContact O-CB 3.38Å; W194-S197 PolarHBondContact O-N 3.36Å; W194-I198 HydrophobicContact CE3-CG1 3.84Å; W194-I198 HydrophobicContact CZ3-CG1 4.07Å; W194-I198 PolarHBondContact O-N 3.08Å |
| 195 | Q | 97.3 | Very high | 94.7 | Very high | 23 Ų | 23 | 71.7 Ų | 71.7 | 11% | 0.107 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -61.6 | -33.8 | 172.9 | -70.6 | -178.8 | 1.8 | 0 | 0 | 111.2 | Y177 Q191 S197 I198 R199 | Y177-Q195 HydrophobicContact CD1-CB 4.35Å; Y177-Q195 HydrophobicContact CD1-CG 3.79Å; Y177-Q195 HydrophobicContact CD2-CG 4.22Å; Y177-Q195 HydrophobicContact CE1-CB 3.72Å; Y177-Q195 HydrophobicContact CE1-CG 3.66Å; Y177-Q195 HydrophobicContact CE2-CB 4.42Å; Y177-Q195 HydrophobicContact CE2-CG 4.12Å; Y177-Q195 HydrophobicContact CG-CG 4.07Å; Q191-Q195 VanDerWaalsContact O-CB 3.24Å; Q191-Q195 WeakPolarHBondContact O-CB 3.47Å; Q191-Q195 VanDerWaalsContact O-CG 3.24Å; Q191-Q195 WeakPolarHBondContact O-CG 3.37Å; Q191-Q195 PolarHBondContact O-N 2.96Å; Q191-Q195 VanDerWaalsContact OE1-NE2 3.15Å; Q195-S197 VanDerWaalsContact C-N 3.35Å; Q195-I198 PolarHBondContact O-N 2.8Å; Q195-R199 WeakPolarHBondContact O-CG 3.49Å; Q195-R199 PolarHBondContact O-N 2.86Å |
| 196 | N | 97.4 | Very high | 94.5 | Very high | 94 Ų | 94 | 71.6 Ų | 71.6 | 50% | 0.503 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.9 | -40.3 | 171.7 | -159.9 | 35.7 | 0 | 0 | 0 | 112 | Q192 W194 I198 R199 H200 | Q192-N196 WeakPolarHBondContact O-CB 3.5Å; Q192-N196 PolarHBondContact O-N 2.93Å; W194-N196 PolarHBondContact O-N 3.1Å; N196-I198 VanDerWaalsContact C-N 3.32Å; N196-I198 PolarHBondContact O-N 3.13Å; N196-R199 PolarHBondContact O-N 3.48Å; N196-R199 PolarHBondContact OD1-NH2 3.1Å; N196-H200 WeakPolarHBondContact O-CB 3.23Å; N196-H200 PolarHBondContact O-N 3.12Å |
| 197 | S | 97.1 | Very high | 94.4 | Very high | 36 Ų | 36 | 68.2 Ų | 68.2 | 25% | 0.252 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -33.8 | 173.1 | -50.1 | 0 | 0 | 0 | 0 | 113.1 | R193 W194 Q195 S201 | R193-S197 PolarHBondContact O-N 3.41Å; R193-S197 PolarHBondContact O-OG 3.03Å; W194-S197 CarbonylContact O-C 3.56Å; W194-S197 WeakPolarHBondContact O-CA 3.36Å; W194-S197 WeakPolarHBondContact O-CB 3.38Å; W194-S197 PolarHBondContact O-N 3.36Å; Q195-S197 VanDerWaalsContact C-N 3.35Å; S197-S201 VanDerWaalsContact O-CB 3.28Å; S197-S201 WeakPolarHBondContact O-CB 3.38Å; S197-S201 PolarHBondContact O-N 3.25Å; S197-S201 PolarHBondContact O-OG 3.1Å |
| 198 | I | 97.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 68.6 Ų | 68.6 | 0% | 0 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -66.5 | -50.1 | 172.7 | -66.5 | -69.2 | 0 | 0 | 0 | 110.9 | Y155 I159 L173 I176 Y177 I180 W194 Q195 N196 H200 S201 L202 | Y155-I198 HydrophobicContact CD1-CD1 3.81Å; Y155-I198 HydrophobicContact CD1-CG1 4.36Å; Y155-I198 HydrophobicContact CG-CD1 4.33Å; I159-I198 HydrophobicContact CD1-CD1 4.03Å; I159-I198 HydrophobicContact CD1-CG2 4.25Å; I159-I198 HydrophobicContact CG1-CD1 3.87Å; I159-I198 HydrophobicContact CG1-CG2 4.34Å; L173-I198 HydrophobicContact CD1-CG2 4.14Å; I176-I198 HydrophobicContact CG2-CG2 4Å; Y177-I198 HydrophobicContact CD1-CG2 4.34Å; Y177-I198 HydrophobicContact CE1-CB 4.24Å; Y177-I198 HydrophobicContact CE1-CG2 3.96Å; I180-I198 HydrophobicContact CD1-CD1 3.54Å; I180-I198 HydrophobicContact CD1-CG1 4.19Å; W194-I198 HydrophobicContact CE3-CG1 3.84Å; W194-I198 HydrophobicContact CZ3-CG1 4.07Å; W194-I198 PolarHBondContact O-N 3.08Å; Q195-I198 PolarHBondContact O-N 2.8Å; N196-I198 VanDerWaalsContact C-N 3.32Å; N196-I198 PolarHBondContact O-N 3.13Å; I198-H200 VanDerWaalsContact C-N 3.31Å; I198-H200 PolarHBondContact O-N 2.68Å; I198-S201 PolarHBondContact O-N 3.35Å; I198-L202 HydrophobicContact CG2-CD1 4.03Å; I198-L202 WeakPolarHBondContact O-CG 3.28Å; I198-L202 PolarHBondContact O-N 2.9Å |
| 199 | R | 97.4 | Very high | 94.4 | Very high | 73 Ų | 73 | 65.8 Ų | 65.8 | 28% | 0.275 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 176.9 | -70.1 | -175.8 | -62.9 | -100 | 16.3 | 112.4 | L173 Y177 Q195 N196 S203 | L173-R199 HydrophobicContact CD1-CG 4.02Å; L173-R199 HydrophobicContact CD2-CG 3.95Å; Y177-R199 WeakPolarHBondContact OH-CG 3.48Å; Y177-R199 PolarHBondContact OH-NH1 3.4Å; Q195-R199 WeakPolarHBondContact O-CG 3.49Å; Q195-R199 PolarHBondContact O-N 2.86Å; N196-R199 PolarHBondContact O-N 3.48Å; N196-R199 PolarHBondContact OD1-NH2 3.1Å; R199-S203 WeakPolarHBondContact O-CB 3.47Å; R199-S203 PolarHBondContact O-N 3.05Å; R199-S203 PolarHBondContact O-OG 3.34Å |
| 200 | H | 97.2 | Very high | 94.6 | Very high | 107 Ų | 107 | 65.9 Ų | 65.9 | 50% | 0.495 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -62.5 | -48.3 | 172.3 | 173.4 | 74.8 | 0 | 0 | 0 | 111.5 | N196 I198 L202 S203 F204 | N196-H200 WeakPolarHBondContact O-CB 3.23Å; N196-H200 PolarHBondContact O-N 3.12Å; I198-H200 VanDerWaalsContact C-N 3.31Å; I198-H200 PolarHBondContact O-N 2.68Å; H200-L202 VanDerWaalsContact C-N 3.34Å; H200-L202 PolarHBondContact O-N 2.92Å; H200-S203 PolarHBondContact O-N 3.46Å; H200-S203 VanDerWaalsContact O-N 3.1Å; H200-F204 AromaticContact CE1-CG 3.81Å; H200-F204 AromaticContact NE2-CD1 3.85Å; H200-F204 AromaticContact NE2-CG 3.82Å; H200-F204 WeakPolarHBondContact O-CB 3.42Å; H200-F204 PolarHBondContact O-N 3.35Å |
| 201 | S | 95.9 | Very high | 94.8 | Very high | 10 Ų | 10 | 62.1 Ų | 62.1 | 7% | 0.07 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -60.5 | -40.4 | -177.3 | -62.2 | 0 | 0 | 0 | 0 | 113.2 | Y155 S197 I198 N205 | Y155-S201 WeakPolarHBondContact CB-OG 3.39Å; S197-S201 VanDerWaalsContact O-CB 3.28Å; S197-S201 WeakPolarHBondContact O-CB 3.38Å; S197-S201 PolarHBondContact O-N 3.25Å; S197-S201 PolarHBondContact O-OG 3.1Å; I198-S201 PolarHBondContact O-N 3.35Å; S201-N205 PolarHBondContact O-N 2.96Å; S201-N205 PolarHBondContact O-ND2 2.8Å |
| 202 | L | 95.3 | Very high | 94.7 | Very high | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.016 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.1 | -42 | 173.7 | -72.1 | 167.5 | 0 | 0 | 0 | 112.2 | I159 L173 I176 I198 H200 F208 W224 | I159-L202 HydrophobicContact CD1-CD2 4.03Å; I159-L202 HydrophobicContact CD1-CG 3.94Å; I159-L202 HydrophobicContact CG1-CD2 4.47Å; I159-L202 HydrophobicContact CG2-CD2 3.63Å; L173-L202 HydrophobicContact CD1-CD1 3.61Å; I176-L202 HydrophobicContact CD1-CD1 4.34Å; I176-L202 HydrophobicContact CD1-CD2 4.29Å; I198-L202 HydrophobicContact CG2-CD1 4.03Å; I198-L202 WeakPolarHBondContact O-CG 3.28Å; I198-L202 PolarHBondContact O-N 2.9Å; H200-L202 VanDerWaalsContact C-N 3.34Å; H200-L202 PolarHBondContact O-N 2.92Å; L202-F208 HydrophobicContact CD2-CB 4.16Å; L202-F208 HydrophobicContact CD2-CD1 4.38Å; L202-F208 HydrophobicContact CD2-CD2 4.24Å; L202-F208 HydrophobicContact CD2-CG 4Å; L202-W224 HydrophobicContact CB-CD2 4.17Å; L202-W224 HydrophobicContact CB-CE3 4.09Å; L202-W224 HydrophobicContact CB-CH2 3.88Å; L202-W224 HydrophobicContact CB-CZ2 3.99Å; L202-W224 HydrophobicContact CB-CZ3 3.94Å; L202-W224 HydrophobicContact CD1-CD2 4.28Å; L202-W224 HydrophobicContact CD1-CG 4.34Å; L202-W224 HydrophobicContact CD2-CB 4.1Å; L202-W224 HydrophobicContact CD2-CD2 3.84Å; L202-W224 HydrophobicContact CD2-CE3 3.98Å; L202-W224 HydrophobicContact CD2-CG 3.9Å; L202-W224 HydrophobicContact CG-CD2 4.33Å; L202-W224 VanDerWaalsContact O-CZ3 3.29Å; L202-W224 WeakPolarHBondContact O-CZ3 3.44Å |
| 203 | S | 94.2 | Very high | 94.3 | Very high | 90 Ų | 90 | 60.1 Ų | 60.1 | 63% | 0.629 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -82.1 | -24.3 | -174.7 | -50.4 | 0 | 0 | 0 | 0 | 113.6 | R199 H200 | R199-S203 WeakPolarHBondContact O-CB 3.47Å; R199-S203 PolarHBondContact O-N 3.05Å; R199-S203 PolarHBondContact O-OG 3.34Å; H200-S203 PolarHBondContact O-N 3.46Å; H200-S203 VanDerWaalsContact O-N 3.1Å |
| 204 | F | 91.5 | Very high | 93.8 | Very high | 112 Ų | 112 | 54 Ų | 54 | 49% | 0.491 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -93.9 | -27.9 | -171.9 | 179.8 | -115 | 0 | 0 | 0 | 114 | H200 R245 | H200-F204 AromaticContact CE1-CG 3.81Å; H200-F204 AromaticContact NE2-CD1 3.85Å; H200-F204 AromaticContact NE2-CG 3.82Å; H200-F204 WeakPolarHBondContact O-CB 3.42Å; H200-F204 PolarHBondContact O-N 3.35Å; F204-R245 VanDerWaalsContact CD1-NH2 3.31Å; F204-R245 VanDerWaalsContact CE1-NH2 3.25Å; F204-R245 PolarHBondContact O-NH2 2.94Å |
| 205 | N | 91.1 | Very high | 93.1 | Very high | 15 Ų | 15 | 59 Ų | 59 | 8% | 0.08 | 32% | 0.317 | C | S | . | . | trans | -108.5 | 120.5 | -171.9 | -58.1 | -72.3 | 0 | 0 | 0 | 111.8 | S201 C207 F208 R245 | S201-N205 PolarHBondContact O-N 2.96Å; S201-N205 PolarHBondContact O-ND2 2.8Å; N205-C207 PolarHBondContact O-N 2.95Å; N205-F208 HydrophobicContact CB-CD2 4.29Å; N205-F208 HydrophobicContact CB-CE2 4.5Å; N205-F208 PolarHBondContact O-N 2.97Å; N205-R245 PolarHBondContact OD1-NE 3.45Å; N205-R245 PolarHBondContact OD1-NH2 2.93Å | ||
| 206 | D | 89.3 | Confident | 92.4 | Very high | 27 Ų | 27 | 63.9 Ų | 63.9 | 14% | 0.144 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | 0.7 | -175.5 | -49.2 | -69.7 | 0 | 0 | 0 | 114.5 | F208 C248 K251 | D206-F208 VanDerWaalsContact C-N 3.29Å; D206-C248 HydrophobicContact CB-CB 3.83Å; D206-K251 WeakPolarHBondContact OD1-CD 3.43Å; D206-K251 IonicContact OD1-NZ 3.77Å; D206-K251 PolarHBondContact OD1-NZ 3.38Å |
| 207 | C | 90.8 | Very high | 91.5 | Very high | 7 Ų | 7 | 67 Ų | 67 | 5% | 0.047 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -14.6 | 167.9 | 58.7 | 0 | 0 | 0 | 0 | 113.4 | N205 L226 H227 F246 | N205-C207 PolarHBondContact O-N 2.95Å; C207-L226 CarbonylContact O-C 3.59Å; C207-L226 WeakPolarHBondContact O-CA 3.44Å; C207-H227 PolarHBondContact O-N 3.14Å; C207-F246 HydrophobicContact CB-CD1 4.16Å |
| 208 | F | 93.6 | Very high | 90.5 | Very high | 10 Ų | 10 | 71.5 Ų | 71.5 | 4% | 0.044 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 122.7 | 176.6 | -57 | -57.7 | 0 | 0 | 0 | 110.7 | I156 I159 I163 L202 N205 D206 W224 T225 L226 | I156-F208 HydrophobicContact CB-CE2 4.39Å; I156-F208 HydrophobicContact CB-CZ 4.36Å; I156-F208 HydrophobicContact CG1-CE2 4.4Å; I156-F208 HydrophobicContact CG2-CE2 3.96Å; I156-F208 HydrophobicContact CG2-CZ 3.73Å; I159-F208 HydrophobicContact CB-CE1 3.91Å; I159-F208 HydrophobicContact CB-CE2 4.39Å; I159-F208 HydrophobicContact CB-CZ 3.68Å; I159-F208 HydrophobicContact CD1-CE2 4.04Å; I159-F208 HydrophobicContact CD1-CZ 4.19Å; I159-F208 HydrophobicContact CG2-CD1 3.8Å; I159-F208 HydrophobicContact CG2-CE1 3.32Å; I159-F208 HydrophobicContact CG2-CE2 4.26Å; I159-F208 HydrophobicContact CG2-CG 4.46Å; I159-F208 HydrophobicContact CG2-CZ 3.58Å; I163-F208 HydrophobicContact CD1-CD1 4.2Å; I163-F208 HydrophobicContact CD1-CE1 4.41Å; L202-F208 HydrophobicContact CD2-CB 4.16Å; L202-F208 HydrophobicContact CD2-CD1 4.38Å; L202-F208 HydrophobicContact CD2-CD2 4.24Å; L202-F208 HydrophobicContact CD2-CG 4Å; N205-F208 HydrophobicContact CB-CD2 4.29Å; N205-F208 HydrophobicContact CB-CE2 4.5Å; N205-F208 PolarHBondContact O-N 2.97Å; D206-F208 VanDerWaalsContact C-N 3.29Å; F208-W224 HydrophobicContact CB-CE3 4.07Å; F208-W224 HydrophobicContact CB-CZ3 4.39Å; F208-T225 WeakPolarHBondContact CA-O 3.49Å; F208-L226 HydrophobicContact CD1-CD2 3.98Å; F208-L226 HydrophobicContact CE1-CD2 3.68Å |
| 209 | L | 94.4 | Very high | 89.9 | Confident | 69 Ų | 69 | 73.6 Ų | 73.6 | 36% | 0.361 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 128.8 | 178.9 | -66.1 | 179 | 0 | 0 | 0 | 110.1 | W224 T225 H227 | L209-W224 WeakPolarHBondContact O-CA 3.44Å; L209-T225 HydrophobicContact CB-CG2 3.96Å; L209-T225 PolarHBondContact N-O 2.73Å; L209-T225 PolarHBondContact O-N 3.45Å; L209-H227 HydrophobicContact CD1-CB 4.18Å; L209-H227 HydrophobicContact CG-CB 4.24Å |
| 210 | K | 95.9 | Very high | 89.3 | Confident | 141 Ų | 141 | 79.6 Ų | 79.6 | 61% | 0.613 | 43% | 0.431 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 113.3 | 175 | -177.3 | -172.9 | 173.2 | -171 | 0 | 109.4 | S222 W224 | K210-S222 WeakPolarHBondContact CE-OG 3.47Å; K210-W224 HydrophobicContact CB-CD2 4.49Å; K210-W224 HydrophobicContact CB-CE3 4.07Å; K210-W224 HydrophobicContact CB-CH2 3.97Å; K210-W224 HydrophobicContact CB-CZ2 4.36Å; K210-W224 HydrophobicContact CB-CZ3 3.81Å; K210-W224 HydrophobicContact CG-CH2 4.39Å; K210-W224 HydrophobicContact CG-CZ2 4.33Å |
| 211 | V | 93.9 | Very high | 88.9 | Confident | 47 Ų | 47 | 77 Ų | 77 | 29% | 0.285 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 127.6 | -178.4 | -177 | 0 | 0 | 0 | 0 | 109.3 | S222 F223 T225 | V211-S222 WeakPolarHBondContact O-CB 3.39Å; V211-F223 HydrophobicContact CB-CB 4.2Å; V211-F223 PolarHBondContact N-O 3.33Å; V211-F223 PolarHBondContact O-N 3.07Å; V211-T225 HydrophobicContact CG2-CG2 3.66Å |
| 212 | P | 91.5 | Very high | 88.8 | Confident | 103 Ų | 103 | 78 Ų | 78 | 67% | 0.669 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 155.2 | 174.8 | 28.5 | -34.6 | 0 | 0 | 0 | 111.1 | ||
| 213 | R | 88.5 | Confident | 88.8 | Confident | 83 Ų | 83 | 80.2 Ų | 80.2 | 31% | 0.313 | 45% | 0.45 | S | S | . | . | P | Polyproline II helix | trans | -75.6 | 151.6 | 168.5 | -70.5 | -174.8 | 179.3 | -106.9 | 3.4 | 109.6 | G219 K220 G221 F223 | R213-G219 WeakPolarHBondContact CD-O 3.4Å; R213-G219 PolarHBondContact NE-O 3.36Å; R213-K220 PolarHBondContact NH2-O 3.2Å; R213-G221 WeakPolarHBondContact CD-O 3.46Å; R213-G221 PolarHBondContact NE-O 2.91Å; R213-F223 HydrophobicContact CG-CD2 4.11Å; R213-F223 HydrophobicContact CG-CE2 3.93Å |
| 214 | S | 85.6 | Confident | 88.9 | Confident | 73 Ų | 73 | 77.5 Ų | 77.5 | 51% | 0.51 | 43% | 0.426 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 139 | 164.3 | -141.9 | 0 | 0 | 0 | 0 | 109.7 | D216 K217 | S214-D216 WeakPolarHBondContact CB-OD2 3.3Å; S214-D216 PolarHBondContact O-N 2.93Å; S214-D216 PolarHBondContact OG-OD2 3.33Å; S214-K217 PolarHBondContact O-N 3.3Å |
| 215 | P | 80.8 | Confident | 89.1 | Confident | 117 Ų | 117 | 73.6 Ų | 73.6 | 76% | 0.76 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -27 | -177.8 | 25.9 | -34.9 | 0 | 0 | 0 | 112.7 | K217 | P215-K217 PolarHBondContact O-N 3.35Å; P215-K217 VanDerWaalsContact O-N 3.17Å |
| 216 | D | 82.1 | Confident | 89.2 | Confident | 124 Ų | 124 | 74.2 Ų | 74.2 | 66% | 0.663 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -13.2 | -176.7 | -24.6 | -89.9 | 0 | 0 | 0 | 113.5 | S214 | S214-D216 WeakPolarHBondContact CB-OD2 3.3Å; S214-D216 PolarHBondContact O-N 2.93Å; S214-D216 PolarHBondContact OG-OD2 3.33Å |
| 217 | K | 78.8 | Confident | 89.3 | Confident | 161 Ų | 161 | 74.1 Ų | 74.1 | 70% | 0.7 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -130.8 | 74.9 | -178.4 | -67.4 | -173 | -179.9 | 178.9 | 0 | 110.6 | S214 P215 G219 | S214-K217 PolarHBondContact O-N 3.3Å; P215-K217 PolarHBondContact O-N 3.35Å; P215-K217 VanDerWaalsContact O-N 3.17Å; K217-G219 PolarHBondContact O-N 2.88Å |
| 218 | P | 75.9 | Confident | 89 | Confident | 129 Ų | 129 | 78.5 Ų | 78.5 | 84% | 0.838 | 44% | 0.441 | S | S | * | . | trans | -55.8 | 122.7 | 176.1 | 23.5 | -33.9 | 0 | 0 | 0 | 110.2 | ||||
| 219 | G | 83.5 | Confident | 88.3 | Confident | 44 Ų | 44 | 82.9 Ų | 82.9 | 45% | 0.454 | 47% | 0.465 | S | S | . | . | trans | -165.6 | 154.5 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R213 K217 G221 | R213-G219 WeakPolarHBondContact CD-O 3.4Å; R213-G219 PolarHBondContact NE-O 3.36Å; K217-G219 PolarHBondContact O-N 2.88Å; G219-G221 PolarHBondContact O-N 3.47Å | ||
| 220 | K | 84.7 | Confident | 87.4 | Confident | 200 Ų | 200 | 79.6 Ų | 79.6 | 87% | 0.87 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -69.6 | 127.3 | -171.1 | -166.6 | 169.5 | -175.5 | 170.8 | 0 | 112 | R213 | R213-K220 PolarHBondContact NH2-O 3.2Š|
| 221 | G | 89.3 | Confident | 85.9 | Confident | 53 Ų | 53 | 74.1 Ų | 74.1 | 55% | 0.546 | 43% | 0.431 | S | S | . | . | S | Bend | trans | 71.9 | 174.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | R213 G219 | R213-G221 WeakPolarHBondContact CD-O 3.46Å; R213-G221 PolarHBondContact NE-O 2.91Å; G219-G221 PolarHBondContact O-N 3.47Å |
| 222 | S | 94.4 | Very high | 84.6 | Confident | 29 Ų | 29 | 76.9 Ų | 76.9 | 20% | 0.203 | 45% | 0.445 | C | S | . | . | trans | -95.1 | 160.4 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 111.9 | K210 V211 | K210-S222 WeakPolarHBondContact CE-OG 3.47Å; V211-S222 WeakPolarHBondContact O-CB 3.39Å | ||
| 223 | F | 95.4 | Very high | 83.2 | Confident | 51 Ų | 51 | 74.8 Ų | 74.8 | 22% | 0.224 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 154.9 | 165.4 | -69.7 | -73.8 | 0 | 0 | 0 | 110.4 | M170 T172 V211 R213 | M170-F223 HydrophobicContact CB-CB 4.42Å; M170-F223 HydrophobicContact CG-CB 4.38Å; M170-F223 HydrophobicContact CG-CD1 4.15Å; M170-F223 HydrophobicContact CG-CG 4.33Å; M170-F223 HydrophobicContact SD-CB 4.2Å; M170-F223 HydrophobicContact SD-CD1 4.44Å; M170-F223 HydrophobicContact SD-CD2 4.42Å; M170-F223 HydrophobicContact SD-CG 4.12Å; T172-F223 HydrophobicContact CG2-CD1 3.68Å; T172-F223 HydrophobicContact CG2-CE1 3.61Å; T172-F223 HydrophobicContact CG2-CG 4.47Å; T172-F223 HydrophobicContact CG2-CZ 4.37Å; V211-F223 HydrophobicContact CB-CB 4.2Å; V211-F223 PolarHBondContact N-O 3.33Å; V211-F223 PolarHBondContact O-N 3.07Å; R213-F223 HydrophobicContact CG-CD2 4.11Å; R213-F223 HydrophobicContact CG-CE2 3.93Å |
| 224 | W | 96.3 | Very high | 82 | Confident | 32 Ų | 32 | 71 Ų | 71 | 12% | 0.121 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 130.8 | 171.8 | -65.8 | 91.4 | 0 | 0 | 0 | 109 | I163 M170 L171 I176 L202 F208 L209 K210 | I163-W224 HydrophobicContact CD1-CB 4.47Å; M170-W224 CarbonylContact C-O 3.59Å; M170-W224 VanDerWaalsContact CA-O 3.26Å; M170-W224 WeakPolarHBondContact CA-O 3.4Å; L171-W224 PolarHBondContact N-O 3.23Å; L171-W224 PolarHBondContact O-N 2.58Å; I176-W224 HydrophobicContact CD1-CB 4.37Å; L202-W224 HydrophobicContact CB-CD2 4.17Å; L202-W224 HydrophobicContact CB-CE3 4.09Å; L202-W224 HydrophobicContact CB-CH2 3.88Å; L202-W224 HydrophobicContact CB-CZ2 3.99Å; L202-W224 HydrophobicContact CB-CZ3 3.94Å; L202-W224 HydrophobicContact CD1-CD2 4.28Å; L202-W224 HydrophobicContact CD1-CG 4.34Å; L202-W224 HydrophobicContact CD2-CB 4.1Å; L202-W224 HydrophobicContact CD2-CD2 3.84Å; L202-W224 HydrophobicContact CD2-CE3 3.98Å; L202-W224 HydrophobicContact CD2-CG 3.9Å; L202-W224 HydrophobicContact CG-CD2 4.33Å; L202-W224 VanDerWaalsContact O-CZ3 3.29Å; L202-W224 WeakPolarHBondContact O-CZ3 3.44Å; F208-W224 HydrophobicContact CB-CE3 4.07Å; F208-W224 HydrophobicContact CB-CZ3 4.39Å; L209-W224 WeakPolarHBondContact O-CA 3.44Å; K210-W224 HydrophobicContact CB-CD2 4.49Å; K210-W224 HydrophobicContact CB-CE3 4.07Å; K210-W224 HydrophobicContact CB-CH2 3.97Å; K210-W224 HydrophobicContact CB-CZ2 4.36Å; K210-W224 HydrophobicContact CB-CZ3 3.81Å; K210-W224 HydrophobicContact CG-CH2 4.39Å; K210-W224 HydrophobicContact CG-CZ2 4.33Å |
| 225 | T | 94.9 | Very high | 80.7 | Confident | 30 Ų | 30 | 73.9 Ų | 73.9 | 18% | 0.184 | 42% | 0.418 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 170.1 | 175.1 | -169.1 | 0 | 0 | 0 | 0 | 110.2 | K169 F208 L209 V211 | K169-T225 WeakPolarHBondContact O-CB 3.3Å; K169-T225 PolarHBondContact O-OG1 2.87Å; F208-T225 WeakPolarHBondContact CA-O 3.49Å; L209-T225 HydrophobicContact CB-CG2 3.96Å; L209-T225 PolarHBondContact N-O 2.73Å; L209-T225 PolarHBondContact O-N 3.45Å; V211-T225 HydrophobicContact CG2-CG2 3.66Å |
| 226 | L | 93.4 | Very high | 79.5 | Confident | 28 Ų | 28 | 74.8 Ų | 74.8 | 15% | 0.147 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 142.1 | 173.4 | -71.3 | 160.4 | 0 | 0 | 0 | 109.7 | T160 I163 Q164 C207 F208 | T160-L226 HydrophobicContact CG2-CD1 3.99Å; T160-L226 HydrophobicContact CG2-CD2 4.14Å; I163-L226 HydrophobicContact CB-CD1 4.24Å; I163-L226 HydrophobicContact CB-CG 4.36Å; I163-L226 HydrophobicContact CD1-CG 4.46Å; I163-L226 HydrophobicContact CG2-CD1 3.95Å; I163-L226 HydrophobicContact CG2-CG 3.96Å; Q164-L226 HydrophobicContact CG-CD1 3.86Å; C207-L226 CarbonylContact O-C 3.59Å; C207-L226 WeakPolarHBondContact O-CA 3.44Å; F208-L226 HydrophobicContact CD1-CD2 3.98Å; F208-L226 HydrophobicContact CE1-CD2 3.68Å |
| 227 | H | 90.4 | Very high | 78.3 | Confident | 25 Ų | 25 | 71.2 Ų | 71.2 | 12% | 0.116 | 41% | 0.408 | C | S | . | . | trans | -61.8 | 135.1 | 168.3 | -162.3 | -64.5 | 0 | 0 | 0 | 108.9 | C207 L209 D229 S230 | C207-H227 PolarHBondContact O-N 3.14Å; L209-H227 HydrophobicContact CD1-CB 4.18Å; L209-H227 HydrophobicContact CG-CB 4.24Å; H227-D229 IonicContact CE1-OD1 3.22Å; H227-D229 PolarHBondContact CE1-OD1 3Å; H227-D229 IonicContact CE1-OD2 2.69Å; H227-D229 PolarHBondContact CE1-OD2 3.25Å; H227-D229 PolarHBondContact ND1-N 2.97Å; H227-D229 IonicContact ND1-OD1 3.69Å; H227-D229 PolarHBondContact ND1-OD1 3.01Å; H227-D229 IonicContact ND1-OD2 2.98Å; H227-D229 PolarHBondContact O-N 2.86Å; H227-S230 PolarHBondContact N-OG 3.16Å; H227-S230 WeakPolarHBondContact O-CA 3.46Å; H227-S230 WeakPolarHBondContact O-CB 3.32Å; H227-S230 PolarHBondContact O-N 3.27Å; H227-S230 PolarHBondContact O-OG 3.45Å | ||
| 228 | P | 86.1 | Confident | 77.3 | Confident | 99 Ų | 99 | 66 Ų | 66 | 64% | 0.643 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -52.7 | -52.4 | -179 | 15.1 | -28.5 | 0 | 0 | 0 | 112 | S230 G231 | P228-S230 PolarHBondContact O-N 3.38Å; P228-G231 PolarHBondContact O-N 3.4Å |
| 229 | D | 78.9 | Confident | 76.6 | Confident | 102 Ų | 102 | 62.5 Ų | 62.5 | 55% | 0.545 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -57.3 | -11.6 | 175.6 | -38.1 | 11 | 0 | 0 | 0 | 114.3 | H227 M233 F246 | H227-D229 IonicContact CE1-OD1 3.22Å; H227-D229 PolarHBondContact CE1-OD1 3Å; H227-D229 IonicContact CE1-OD2 2.69Å; H227-D229 PolarHBondContact CE1-OD2 3.25Å; H227-D229 PolarHBondContact ND1-N 2.97Å; H227-D229 IonicContact ND1-OD1 3.69Å; H227-D229 PolarHBondContact ND1-OD1 3.01Å; H227-D229 IonicContact ND1-OD2 2.98Å; H227-D229 PolarHBondContact O-N 2.86Å; D229-M233 WeakPolarHBondContact O-CE 3.35Å; D229-F246 HydrophobicContact CB-CZ 4.48Å |
| 230 | S | 74.3 | Confident | 75.4 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.007 | 37% | 0.369 | C | S | . | . | G | 310 helix | trans | -91.3 | -12.3 | 177.6 | 78.1 | 0 | 0 | 0 | 0 | 114.5 | H227 P228 M233 F234 | H227-S230 PolarHBondContact N-OG 3.16Å; H227-S230 WeakPolarHBondContact O-CA 3.46Å; H227-S230 WeakPolarHBondContact O-CB 3.32Å; H227-S230 PolarHBondContact O-N 3.27Å; H227-S230 PolarHBondContact O-OG 3.45Å; P228-S230 PolarHBondContact O-N 3.38Å; S230-M233 PolarHBondContact O-N 3.16Å; S230-F234 VanDerWaalsContact O-CD2 3.3Å; S230-F234 WeakPolarHBondContact O-CD2 3.39Å |
| 231 | G | 65.5 | Low | 74 | Confident | 25 Ų | 25 | 67.2 Ų | 67.2 | 26% | 0.258 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -55.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P228 M233 F234 E235 | P228-G231 PolarHBondContact O-N 3.4Å; G231-M233 PolarHBondContact O-N 3.16Å; G231-F234 PolarHBondContact O-N 3.39Å; G231-E235 PolarHBondContact O-N 3.41Å |
| 232 | N | 65.8 | Low | 72.6 | Confident | 106 Ų | 106 | 68.4 Ų | 68.4 | 57% | 0.567 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -61.6 | -17.8 | -174.8 | -55 | 95.5 | 0 | 0 | 0 | 114.1 | F234 E235 N236 | N232-F234 VanDerWaalsContact C-N 3.31Å; N232-F234 PolarHBondContact O-N 3.1Å; N232-E235 PolarHBondContact ND2-OE2 2.88Å; N232-N236 PolarHBondContact O-ND2 3.46Å |
| 233 | M | 62.3 | Low | 70.6 | Confident | 59 Ų | 59 | 76.9 Ų | 76.9 | 29% | 0.291 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -78.8 | -7.8 | 176.9 | -78.8 | 176.3 | -94.6 | 0 | 0 | 114.4 | D229 S230 G231 R242 F246 | D229-M233 WeakPolarHBondContact O-CE 3.35Å; S230-M233 PolarHBondContact O-N 3.16Å; G231-M233 PolarHBondContact O-N 3.16Å; M233-R242 PolarHBondContact O-NH2 3.4Å; M233-F246 HydrophobicContact CE-CB 4.35Å; M233-F246 HydrophobicContact CE-CD2 3.28Å; M233-F246 HydrophobicContact CE-CE2 3.59Å; M233-F246 HydrophobicContact CE-CG 3.85Å; M233-F246 HydrophobicContact CE-CZ 4.37Å; M233-F246 HydrophobicContact SD-CB 3.95Å; M233-F246 HydrophobicContact SD-CD2 3.84Å; M233-F246 HydrophobicContact SD-CG 4.12Å |
| 234 | F | 62.4 | Low | 68.9 | Low | 4 Ų | 4 | 83 Ų | 83 | 2% | 0.018 | 42% | 0.42 | C | S | . | . | H | α-helix | trans | -120.5 | -29.2 | 176.6 | -61.1 | -86.7 | 0 | 0 | 0 | 113 | I156 T160 S230 G231 N232 N236 G237 Y239 R242 | I156-F234 HydrophobicContact CG2-CE1 3.92Å; I156-F234 HydrophobicContact CG2-CZ 3.68Å; T160-F234 HydrophobicContact CG2-CB 3.88Å; T160-F234 HydrophobicContact CG2-CD1 3.79Å; T160-F234 HydrophobicContact CG2-CD2 3.88Å; T160-F234 HydrophobicContact CG2-CE1 4.2Å; T160-F234 HydrophobicContact CG2-CE2 4.3Å; T160-F234 HydrophobicContact CG2-CG 3.61Å; T160-F234 HydrophobicContact CG2-CZ 4.44Å; T160-F234 WeakPolarHBondContact OG1-CZ 3.45Å; S230-F234 VanDerWaalsContact O-CD2 3.3Å; S230-F234 WeakPolarHBondContact O-CD2 3.39Å; G231-F234 PolarHBondContact O-N 3.39Å; N232-F234 VanDerWaalsContact C-N 3.31Å; N232-F234 PolarHBondContact O-N 3.1Å; F234-N236 VanDerWaalsContact C-N 3.28Å; F234-N236 PolarHBondContact O-N 3.48Å; F234-G237 PolarHBondContact O-N 3.39Å; F234-Y239 HydrophobicContact CB-CE1 4.11Å; F234-Y239 WeakPolarHBondContact O-CE2 3.33Å; F234-Y239 VanDerWaalsContact O-CZ 3.32Å; F234-Y239 PolarHBondContact O-OH 3.15Å; F234-R242 VanDerWaalsContact CD1-NH2 3.26Å |
| 235 | E | 59.7 | Low | 67.1 | Low | 133 Ų | 133 | 87.4 Ų | 87.4 | 62% | 0.621 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -53.1 | -42 | 177 | -171.2 | 166.9 | -143.4 | 0 | 0 | 113 | G231 N232 G237 | G231-E235 PolarHBondContact O-N 3.41Å; N232-E235 PolarHBondContact ND2-OE2 2.88Å; E235-G237 PolarHBondContact O-N 2.96Å |
| 236 | N | 55.7 | Low | 65.5 | Low | 135 Ų | 135 | 88 Ų | 88 | 72% | 0.722 | 44% | 0.436 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | 34.7 | 176.8 | -65.2 | -70.5 | 0 | 0 | 0 | 114.2 | N232 F234 C238 | N232-N236 PolarHBondContact O-ND2 3.46Å; F234-N236 VanDerWaalsContact C-N 3.28Å; F234-N236 PolarHBondContact O-N 3.48Å; N236-C238 PolarHBondContact O-N 3.07Å |
| 237 | G | 55.7 | Low | 64 | Low | 49 Ų | 49 | 92.4 Ų | 92.4 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 68.5 | 3.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | F234 E235 Y239 | F234-G237 PolarHBondContact O-N 3.39Å; E235-G237 PolarHBondContact O-N 2.96Å; G237-Y239 PolarHBondContact O-N 3.1Å |
| 238 | C | 59.1 | Low | 62.4 | Low | 53 Ų | 53 | 92 Ų | 92 | 36% | 0.358 | 46% | 0.455 | S | S | . | . | trans | -78.1 | 55.1 | -175.3 | -161.3 | 0 | 0 | 0 | 0 | 113.2 | N236 | N236-C238 PolarHBondContact O-N 3.07Š| ||
| 239 | Y | 61.4 | Low | 61.2 | Low | 54 Ų | 54 | 94.9 Ų | 94.9 | 21% | 0.212 | 46% | 0.459 | C | S | . | . | trans | -84.5 | -12.6 | 172.5 | -58.7 | -78.3 | 0 | 0 | 0 | 112.8 | S157 T160 M161 Q164 F234 G237 | S157-Y239 VanDerWaalsContact CB-O 3.26Å; S157-Y239 WeakPolarHBondContact CB-O 3.48Å; S157-Y239 PolarHBondContact OG-O 2.94Å; T160-Y239 HydrophobicContact CG2-CE1 4.42Å; M161-Y239 HydrophobicContact CG-CD1 3.78Å; M161-Y239 HydrophobicContact CG-CE1 3.69Å; M161-Y239 HydrophobicContact SD-CD1 4.18Å; Q164-Y239 PolarHBondContact OE1-OH 2.72Å; F234-Y239 HydrophobicContact CB-CE1 4.11Å; F234-Y239 WeakPolarHBondContact O-CE2 3.33Å; F234-Y239 VanDerWaalsContact O-CZ 3.32Å; F234-Y239 PolarHBondContact O-OH 3.15Å; G237-Y239 PolarHBondContact O-N 3.1Å | ||
| 240 | L | 58.5 | Low | 60.1 | Low | 112 Ų | 112 | 98 Ų | 98 | 59% | 0.586 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -75.6 | 171.9 | 169.9 | -66.7 | 171.2 | 0 | 0 | 0 | 111.3 | P152 R242 | P152-L240 HydrophobicContact CB-CD2 4.34Å; L240-R242 PolarHBondContact O-N 3.38Å |
| 241 | R | 53.7 | Low | 59 | Low | 232 Ų | 232 | 104.2 Ų | 104.2 | 88% | 0.875 | 50% | 0.495 | S | S | * | . | trans | -67.7 | 94.5 | -169 | -164.9 | 179.6 | 87.1 | -162.2 | 8.7 | 112.8 | ||||
| 242 | R | 60.1 | Low | 58.2 | Low | 78 Ų | 78 | 108 Ų | 108 | 29% | 0.294 | 51% | 0.507 | S | S | . | . | trans | -54.4 | 134.1 | 178.8 | -161.2 | -176.9 | -63.1 | 159.1 | 6 | 112.6 | M233 F234 L240 K244 | M233-R242 PolarHBondContact O-NH2 3.4Å; F234-R242 VanDerWaalsContact CD1-NH2 3.26Å; L240-R242 PolarHBondContact O-N 3.38Å; R242-K244 WeakPolarHBondContact CD-O 3.33Å; R242-K244 WeakPolarHBondContact CG-O 3.35Å | ||
| 243 | Q | 53 | Low | 57.3 | Low | 206 Ų | 206 | 107.2 Ų | 107.2 | 96% | 0.963 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -77.8 | -28.1 | -179.6 | -74.6 | 174.1 | -32.4 | 0 | 0 | 114.2 | ||
| 244 | K | 58.7 | Low | 56.9 | Low | 181 Ų | 181 | 111.6 Ų | 111.6 | 79% | 0.787 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -115 | 130.6 | -180 | -167.2 | 174.4 | -178.3 | 179.9 | 0 | 110.5 | R242 | R242-K244 WeakPolarHBondContact CD-O 3.33Å; R242-K244 WeakPolarHBondContact CG-O 3.35Å |
| 245 | R | 59.9 | Low | 56.3 | Low | 123 Ų | 123 | 120 Ų | 120 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | trans | -83.6 | 132.7 | -178.8 | -166.3 | -177.5 | -175.6 | -111.6 | 0.9 | 111 | F204 N205 | F204-R245 VanDerWaalsContact CD1-NH2 3.31Å; F204-R245 VanDerWaalsContact CE1-NH2 3.25Å; F204-R245 PolarHBondContact O-NH2 2.94Å; N205-R245 PolarHBondContact OD1-NE 3.45Å; N205-R245 PolarHBondContact OD1-NH2 2.93Å | ||
| 246 | F | 61.3 | Low | 55.5 | Low | 42 Ų | 42 | 120.6 Ų | 120.6 | 18% | 0.184 | 58% | 0.578 | C | S | . | * | trans | -67.1 | 144 | 167.8 | 177.2 | -114.5 | 0 | 0 | 0 | 110.6 | C207 D229 M233 C248 | C207-F246 HydrophobicContact CB-CD1 4.16Å; D229-F246 HydrophobicContact CB-CZ 4.48Å; M233-F246 HydrophobicContact CE-CB 4.35Å; M233-F246 HydrophobicContact CE-CD2 3.28Å; M233-F246 HydrophobicContact CE-CE2 3.59Å; M233-F246 HydrophobicContact CE-CG 3.85Å; M233-F246 HydrophobicContact CE-CZ 4.37Å; M233-F246 HydrophobicContact SD-CB 3.95Å; M233-F246 HydrophobicContact SD-CD2 3.84Å; M233-F246 HydrophobicContact SD-CG 4.12Å; F246-C248 HydrophobicContact CE1-CB 4.35Å; F246-C248 HydrophobicContact CZ-CB 4.41Å | ||
| 247 | K | 62.4 | Low | 55 | Low | 122 Ų | 122 | 117.8 Ų | 117.8 | 53% | 0.53 | 58% | 0.581 | S | S | . | * | trans | -143.4 | 128.9 | 171.9 | -176.5 | 147.7 | 59.1 | 174.8 | 0 | 108.2 | E249 M252 | K247-E249 PolarHBondContact O-N 3.19Å; K247-M252 HydrophobicContact CD-CE 4.14Å | ||
| 248 | C | 54.9 | Low | 54.4 | Low | 17 Ų | 17 | 118.6 Ų | 118.6 | 12% | 0.115 | 59% | 0.589 | C | S | . | * | trans | -81.6 | 113.2 | 177 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | D206 F246 K250 K251 | D206-C248 HydrophobicContact CB-CB 3.83Å; F246-C248 HydrophobicContact CE1-CB 4.35Å; F246-C248 HydrophobicContact CZ-CB 4.41Å; C248-K250 PolarHBondContact O-N 2.94Å; C248-K251 PolarHBondContact O-N 2.76Å | ||
| 249 | E | 61.1 | Low | 53.9 | Low | 158 Ų | 158 | 127.4 Ų | 127.4 | 74% | 0.738 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -67.3 | -26 | -175.3 | -62.9 | -174.5 | 140.8 | 0 | 0 | 112.7 | K247 K251 M252 | K247-E249 PolarHBondContact O-N 3.19Å; E249-K251 PolarHBondContact O-N 2.96Å; E249-M252 WeakPolarHBondContact O-CB 3.48Å; E249-M252 PolarHBondContact O-N 3.24Å |
| 250 | K | 56 | Low | 52.9 | Low | 168 Ų | 168 | 134.7 Ų | 134.7 | 73% | 0.73 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -57.8 | -12.8 | 176.1 | -164.5 | 168.1 | -176.2 | 171.2 | 0 | 114.3 | C248 | C248-K250 PolarHBondContact O-N 2.94Š|
| 251 | K | 50.8 | Low | 52.2 | Low | 131 Ų | 131 | 134.5 Ų | 134.5 | 57% | 0.57 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -93.8 | -9.4 | 177.3 | -151.8 | 178.5 | -165 | 175.4 | 0 | 113.9 | D206 C248 E249 | D206-K251 WeakPolarHBondContact OD1-CD 3.43Å; D206-K251 IonicContact OD1-NZ 3.77Å; D206-K251 PolarHBondContact OD1-NZ 3.38Å; C248-K251 PolarHBondContact O-N 2.76Å; E249-K251 PolarHBondContact O-N 2.96Å |
| 252 | M | 49.2 | Very low | 51.3 | Low | 104 Ų | 104 | 127.2 Ų | 127.2 | 51% | 0.512 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -85.3 | -47.2 | 178.5 | -71.8 | 174.5 | 143.9 | 0 | 0 | 111.4 | K247 E249 L254 K255 | K247-M252 HydrophobicContact CD-CE 4.14Å; E249-M252 WeakPolarHBondContact O-CB 3.48Å; E249-M252 PolarHBondContact O-N 3.24Å; M252-L254 VanDerWaalsContact C-N 3.27Å; M252-L254 PolarHBondContact O-N 2.73Å; M252-K255 PolarHBondContact O-N 3.22Å |
| 253 | S | 47.3 | Very low | 50 | Low | 90 Ų | 90 | 131.2 Ų | 131.2 | 63% | 0.629 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -57.7 | -35.4 | 178.8 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | K255 | S253-K255 VanDerWaalsContact C-N 3.32Å; S253-K255 PolarHBondContact O-N 3.43Å |
| 254 | L | 53.9 | Low | 49.2 | Very low | 151 Ų | 151 | 126.4 Ų | 126.4 | 79% | 0.791 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -78.3 | -6.6 | 178.5 | -79.9 | 165.6 | 0 | 0 | 0 | 114.9 | M252 | M252-L254 VanDerWaalsContact C-N 3.27Å; M252-L254 PolarHBondContact O-N 2.73Å |
| 255 | K | 49 | Very low | 48.1 | Very low | 180 Ų | 180 | 121.1 Ų | 121.1 | 78% | 0.783 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -110.1 | -16.9 | -176.5 | -166.7 | 159.3 | -177.4 | 173.2 | 0 | 114.6 | M252 S253 | M252-K255 PolarHBondContact O-N 3.22Å; S253-K255 VanDerWaalsContact C-N 3.32Å; S253-K255 PolarHBondContact O-N 3.43Å |
| 256 | D | 44.6 | Very low | 47.1 | Very low | 146 Ų | 146 | 120.8 Ų | 120.8 | 78% | 0.781 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -89.6 | -29.4 | -178.8 | -133.5 | 16.9 | 0 | 0 | 0 | 113.1 | G258 | D256-G258 PolarHBondContact O-N 3.34Å |
| 257 | G | 43.9 | Very low | 45.8 | Very low | 76 Ų | 76 | 124.6 Ų | 124.6 | 78% | 0.784 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | 6.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 258 | G | 42.5 | Very low | 44.4 | Very low | 67 Ų | 67 | 126.1 Ų | 126.1 | 69% | 0.691 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 8.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | D256 | D256-G258 PolarHBondContact O-N 3.34Š|
| 259 | R | 49.9 | Very low | 43.4 | Very low | 238 Ų | 238 | 130.1 Ų | 130.1 | 90% | 0.898 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -138.7 | 35 | -168.2 | -73.2 | -166.9 | 172.2 | -168.1 | -3.4 | 117.4 | ||
| 260 | K | 40.8 | Very low | 41.9 | Very low | 207 Ų | 207 | 127.3 Ų | 127.3 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | trans | -162.7 | 133.9 | 146.4 | -116.3 | 177 | 179.7 | -173.3 | 0 | 110.8 | ||||
| 261 | A | 43.4 | Very low | 40.7 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 89% | 0.893 | 76% | 0.763 | S | S | * | * | trans | -112.5 | 145.8 | 163.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 262 | G | 34.1 | Very low | 39.7 | Very low | 78 Ų | 78 | 125.4 Ų | 125.4 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | 161 | 95.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 263 | D | 33.2 | Very low | 38.8 | Very low | 162 Ų | 162 | 126 Ų | 126 | 87% | 0.866 | 79% | 0.787 | S | S | * | * | trans | 55.3 | 113.2 | 150.3 | -160.8 | 28.4 | 0 | 0 | 0 | 121.3 | ||||
| 264 | A | 36.9 | Very low | 37.9 | Very low | 105 Ų | 105 | 127.4 Ų | 127.4 | 87% | 0.868 | 80% | 0.796 | S | S | * | * | trans | -168.5 | 83.2 | 148.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 265 | G | 34.7 | Very low | 37 | Very low | 70 Ų | 70 | 128.1 Ų | 128.1 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -88.6 | 170.8 | 154.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 266 | S | 39.3 | Very low | 36.2 | Very low | 116 Ų | 116 | 122.6 Ų | 122.6 | 81% | 0.811 | 80% | 0.795 | S | S | * | * | cis | -165.2 | 154.2 | -4.8 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 267 | S | 33.6 | Very low | 35.8 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 86% | 0.86 | 79% | 0.792 | S | S | * | * | trans | -152.3 | 140.3 | 158.7 | 58.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 268 | N | 34.2 | Very low | 35.3 | Very low | 154 Ų | 154 | 125.7 Ų | 125.7 | 82% | 0.824 | 79% | 0.788 | S | S | * | * | trans | -143.9 | 130.6 | -165.4 | 169 | 88.6 | 0 | 0 | 0 | 111.5 | ||||
| 269 | S | 32 | Very low | 35.1 | Very low | 100 Ų | 100 | 127.6 Ų | 127.6 | 70% | 0.699 | 79% | 0.791 | S | S | * | * | trans | -150.9 | 129 | 169.7 | 59.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 270 | S | 31.3 | Very low | 34.9 | Very low | 99 Ų | 99 | 121.1 Ų | 121.1 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | 1.5 | 148.4 | 136.7 | 50 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 271 | S | 30.9 | Very low | 34.5 | Very low | 91 Ų | 91 | 119.3 Ų | 119.3 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | cis | -173.1 | -173.9 | 0.9 | 40.4 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 272 | E | 29.9 | Very low | 34.1 | Very low | 168 Ų | 168 | 118.6 Ų | 118.6 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | trans | 76.6 | 121.5 | 162.1 | -65.6 | 168 | 107.9 | 0 | 0 | 115.6 | ||||
| 273 | S | 29.9 | Very low | 33.9 | Very low | 116 Ų | 116 | 122.4 Ų | 122.4 | 81% | 0.811 | 77% | 0.765 | S | S | * | * | 73.7 | 133.9 | 81.6 | -55.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 274 | C | 28.6 | Very low | 33.9 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | cis | -149.8 | 167.4 | 11.4 | 53.4 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 275 | N | 34.1 | Very low | 33.7 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 89% | 0.888 | 75% | 0.749 | S | S | * | * | trans | -89.5 | 152.5 | 164.5 | -95.8 | 18.2 | 0 | 0 | 0 | 110.8 | ||||
| 276 | G | 31.6 | Very low | 33.6 | Very low | 64 Ų | 64 | 120.7 Ų | 120.7 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | -95.2 | 145.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 277 | N | 36.9 | Very low | 33.3 | Very low | 136 Ų | 136 | 119.5 Ų | 119.5 | 73% | 0.727 | 74% | 0.74 | S | S | * | * | trans | 67.4 | 130.9 | 156.9 | -65.1 | 71.5 | 0 | 0 | 0 | 122 | ||||
| 278 | E | 33.8 | Very low | 33.5 | Very low | 150 Ų | 150 | 120.3 Ų | 120.3 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | trans | -36.2 | 155.9 | 163.6 | 62.1 | -87.1 | 5.3 | 0 | 0 | 116.7 | ||||
| 279 | S | 37.8 | Very low | 33.7 | Very low | 108 Ų | 108 | 119 Ų | 119 | 76% | 0.755 | 72% | 0.723 | S | S | * | * | cis | -152.7 | 167 | 37.8 | -68.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 280 | P | 45.9 | Very low | 34 | Very low | 102 Ų | 102 | 121.7 Ų | 121.7 | 66% | 0.662 | 72% | 0.722 | S | S | * | * | trans | -91.9 | 159.4 | -172.8 | 36.1 | -36 | 0 | 0 | 0 | 115.1 | ||||
| 281 | H | 31.3 | Very low | 34 | Very low | 169 Ų | 169 | 128.6 Ų | 128.6 | 78% | 0.782 | 73% | 0.733 | S | S | * | * | 175.4 | 132.7 | 114.6 | -95.3 | -68.9 | 0 | 0 | 0 | 115 | |||||
| 282 | S | 35 | Very low | 34 | Very low | 92 Ų | 92 | 129.1 Ų | 129.1 | 64% | 0.643 | 74% | 0.737 | S | S | * | * | trans | 68.3 | 115.2 | 144.8 | -53.9 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 283 | N | 31.5 | Very low | 34.5 | Very low | 158 Ų | 158 | 128.8 Ų | 128.8 | 85% | 0.845 | 74% | 0.739 | S | S | * | * | trans | 63.3 | 147.7 | 139.9 | -67.2 | 3.2 | 0 | 0 | 0 | 120.7 | ||||
| 284 | S | 31.9 | Very low | 34.8 | Very low | 93 Ų | 93 | 128 Ų | 128 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -168.1 | 161.9 | -10.5 | 46.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 285 | S | 33.9 | Very low | 35.1 | Very low | 109 Ų | 109 | 128.4 Ų | 128.4 | 76% | 0.762 | 73% | 0.728 | S | S | * | * | trans | 61.8 | 144.9 | 161.3 | 50.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 286 | S | 32.3 | Very low | 35.3 | Very low | 100 Ų | 100 | 127.7 Ų | 127.7 | 70% | 0.699 | 72% | 0.721 | S | S | * | * | cis | -172.3 | 149.5 | -13.1 | 47.1 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 287 | S | 32.8 | Very low | 35.3 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 73% | 0.729 | S | S | * | * | trans | 47.3 | 112.5 | 146.7 | 60.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 288 | D | 37.8 | Very low | 35.1 | Very low | 140 Ų | 140 | 131.1 Ų | 131.1 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | 80.9 | 153.5 | 79.8 | -75.7 | -49.8 | 0 | 0 | 0 | 114.7 | |||||
| 289 | H | 38.6 | Very low | 35 | Very low | 126 Ų | 126 | 128.2 Ų | 128.2 | 58% | 0.583 | 72% | 0.723 | S | S | * | * | cis | -161.9 | 149.1 | 11.5 | -127.9 | 19.2 | 0 | 0 | 0 | 113.5 | ||||
| 290 | K | 37.7 | Very low | 34.6 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 68% | 0.683 | 73% | 0.728 | S | S | * | * | trans | 42.4 | 131.3 | 139.4 | -61.2 | 171.3 | 179.7 | 157.3 | 0 | 123.6 | ||||
| 291 | R | 30.9 | Very low | 33.8 | Very low | 244 Ų | 244 | 131 Ų | 131 | 92% | 0.921 | 73% | 0.729 | S | S | * | * | 160.8 | 149.1 | 111.3 | -86.6 | 175 | -171.5 | -127.6 | 2.6 | 110.9 | |||||
| 292 | S | 31.9 | Very low | 33.8 | Very low | 101 Ų | 101 | 131.6 Ų | 131.6 | 71% | 0.706 | 74% | 0.737 | S | S | * | * | cis | 137.3 | 152 | -24.5 | -170.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 293 | L | 39.3 | Very low | 33.4 | Very low | 161 Ų | 161 | 132 Ų | 132 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | 79.6 | 141 | 174.4 | -51.3 | 178.9 | 0 | 0 | 0 | 116.6 | ||||
| 294 | S | 37.6 | Very low | 34.1 | Very low | 99 Ų | 99 | 129.2 Ų | 129.2 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | cis | -151.1 | -157.1 | -12.1 | 54.1 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 295 | D | 33.6 | Very low | 34 | Very low | 131 Ų | 131 | 132.5 Ų | 132.5 | 70% | 0.701 | 74% | 0.736 | S | S | * | * | cis | -158.7 | -148.2 | 15.3 | -145.9 | -82.8 | 0 | 0 | 0 | 113.6 | ||||
| 296 | M | 40.3 | Very low | 33.9 | Very low | 151 Ų | 151 | 133.4 Ų | 133.4 | 74% | 0.744 | 73% | 0.728 | S | S | * | * | trans | -97.8 | 179.5 | -171 | -68.6 | -73.8 | 98.7 | 0 | 0 | 114 | ||||
| 297 | K | 30.8 | Very low | 33.8 | Very low | 191 Ų | 191 | 135.7 Ų | 135.7 | 83% | 0.83 | 74% | 0.737 | S | S | * | * | cis | -159.9 | 161.6 | 29.8 | -172.6 | 69 | 173.1 | -171.6 | 0 | 113.6 | ||||
| 298 | A | 31.9 | Very low | 33.5 | Very low | 81 Ų | 81 | 135.6 Ų | 135.6 | 67% | 0.669 | 74% | 0.742 | S | S | * | * | trans | -68.1 | -175.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 299 | S | 32.4 | Very low | 33.1 | Very low | 89 Ų | 89 | 133.6 Ų | 133.6 | 62% | 0.622 | 75% | 0.745 | S | S | * | * | cis | -171.2 | 154.6 | 26.1 | -144.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 300 | Q | 29.8 | Very low | 32.5 | Very low | 185 Ų | 185 | 132.1 Ų | 132.1 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | trans | 56.1 | 164.7 | 148.2 | -69.7 | 165.4 | 20.4 | 0 | 0 | 121.8 | ||||
| 301 | A | 28.6 | Very low | 32 | Very low | 83 Ų | 83 | 129.4 Ų | 129.4 | 69% | 0.686 | 76% | 0.761 | S | S | * | * | cis | -180 | 164.8 | -41.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 302 | L | 31.6 | Very low | 31.9 | Very low | 181 Ų | 181 | 122.6 Ų | 122.6 | 95% | 0.948 | 76% | 0.757 | S | S | * | * | trans | 109.5 | 148.8 | 161.7 | -59.2 | 171 | 0 | 0 | 0 | 119.9 | ||||
| 303 | S | 26.9 | Very low | 31.7 | Very low | 102 Ų | 102 | 122.6 Ų | 122.6 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | -140.5 | 172.9 | 178.8 | -151 | 0 | 0 | 0 | 0 | 108 | ||||
| 304 | P | 46.3 | Very low | 31.2 | Very low | 99 Ų | 99 | 119.4 Ų | 119.4 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | cis | -120.3 | 179.1 | 48.6 | 6.5 | 20.7 | 0 | 0 | 0 | 113.5 | ||||
| 305 | E | 28.3 | Very low | 30.8 | Very low | 161 Ų | 161 | 119.7 Ų | 119.7 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | cis | 74.9 | 150.4 | 45.7 | -127.2 | -172.3 | -66.4 | 0 | 0 | 113.5 | ||||
| 306 | H | 32.3 | Very low | 30.7 | Very low | 129 Ų | 129 | 118.2 Ų | 118.2 | 60% | 0.597 | 77% | 0.774 | S | S | * | * | cis | -157.5 | 157.8 | 20.9 | -28 | -116.2 | 0 | 0 | 0 | 114.5 | ||||
| 307 | V | 29.6 | Very low | 30.2 | Very low | 147 Ų | 147 | 116.3 Ų | 116.3 | 89% | 0.891 | 78% | 0.776 | S | S | * | * | trans | 49.8 | 170.8 | 156.6 | -64.2 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 308 | A | 28 | Very low | 30.9 | Very low | 90 Ų | 90 | 112.6 Ų | 112.6 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | cis | -169.8 | 163.8 | -46.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 309 | A | 27.9 | Very low | 30.8 | Very low | 98 Ų | 98 | 114.7 Ų | 114.7 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | trans | 70.7 | 129.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 310 | A | 27.4 | Very low | 30.7 | Very low | 95 Ų | 95 | 116 Ų | 116 | 79% | 0.785 | 78% | 0.784 | S | S | * | * | 78.2 | 109.9 | 127.6 | 0 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 311 | A | 27.2 | Very low | 30.7 | Very low | 100 Ų | 100 | 116.4 Ų | 116.4 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | 85 | 136 | 112 | 0 | 0 | 0 | 0 | 0 | 125.8 | |||||
| 312 | A | 28.1 | Very low | 30.8 | Very low | 101 Ų | 101 | 115.5 Ų | 115.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 91.6 | 153.3 | 136.1 | 0 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 313 | A | 28.5 | Very low | 30.7 | Very low | 101 Ų | 101 | 116.3 Ų | 116.3 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 70.8 | 153.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 314 | A | 28.6 | Very low | 30.9 | Very low | 93 Ų | 93 | 119.5 Ų | 119.5 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | cis | -171.1 | 168.2 | -25.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 315 | A | 28.2 | Very low | 30.2 | Very low | 105 Ų | 105 | 120.6 Ų | 120.6 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | 68 | 163 | 164.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 316 | A | 31.2 | Very low | 30.4 | Very low | 100 Ų | 100 | 121 Ų | 121 | 83% | 0.826 | 79% | 0.791 | S | S | * | * | cis | -146.6 | 175.3 | 2.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 317 | S | 29.7 | Very low | 30.3 | Very low | 111 Ų | 111 | 119 Ų | 119 | 78% | 0.776 | 79% | 0.791 | S | S | * | * | trans | -114.9 | 164.7 | 171.1 | -146.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 318 | P | 46 | Very low | 30.5 | Very low | 113 Ų | 113 | 119.6 Ų | 119.6 | 73% | 0.734 | 79% | 0.785 | S | S | * | * | -158.5 | 161.8 | 76.8 | 42.1 | -21.3 | 0 | 0 | 0 | 119.7 | |||||
| 319 | V | 30.2 | Very low | 30.6 | Very low | 126 Ų | 126 | 121.7 Ų | 121.7 | 76% | 0.764 | 78% | 0.779 | S | S | * | * | trans | 46 | 124.5 | 135.5 | 179 | 0 | 0 | 0 | 0 | 122 | ||||
| 320 | S | 31.3 | Very low | 30.8 | Very low | 115 Ų | 115 | 124.9 Ų | 124.9 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | -168.4 | 159.8 | 116.2 | -79.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 321 | Q | 29.5 | Very low | 31 | Very low | 195 Ų | 195 | 125.5 Ų | 125.5 | 91% | 0.911 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 168.5 | -174.5 | -59.4 | 139.8 | -28.3 | 0 | 0 | 113.4 | ||||
| 322 | G | 30.2 | Very low | 31.2 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | cis | 158.9 | 154.7 | -6.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 323 | Q | 29.5 | Very low | 31.6 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 161 | 176.4 | -52.1 | -179.6 | -46 | 0 | 0 | 115.2 | ||||
| 324 | H | 30.5 | Very low | 31.7 | Very low | 170 Ų | 170 | 128.9 Ų | 128.9 | 79% | 0.787 | 77% | 0.766 | S | S | * | * | cis | -145 | 177.8 | 7.9 | -177 | -104.4 | 0 | 0 | 0 | 112.5 | ||||
| 325 | L | 32.6 | Very low | 32 | Very low | 121 Ų | 121 | 132.6 Ų | 132.6 | 63% | 0.634 | 77% | 0.767 | S | S | * | * | trans | -58.6 | 158.8 | -174.9 | -129.9 | 70.5 | 0 | 0 | 0 | 118.8 | ||||
| 326 | M | 32.1 | Very low | 32 | Very low | 170 Ų | 170 | 135.4 Ų | 135.4 | 84% | 0.837 | 76% | 0.762 | S | S | * | * | trans | 63.8 | 166.9 | 155.5 | -71.4 | 171.5 | 72.8 | 0 | 0 | 118.1 | ||||
| 327 | S | 31.1 | Very low | 32 | Very low | 86 Ų | 86 | 134.4 Ų | 134.4 | 60% | 0.601 | 75% | 0.754 | S | S | * | * | cis | -176.1 | 130.7 | -37 | 177.9 | 0 | 0 | 0 | 0 | 108 | ||||
| 328 | Q | 32.2 | Very low | 32 | Very low | 161 Ų | 161 | 137.1 Ų | 137.1 | 75% | 0.752 | 75% | 0.754 | S | S | * | * | trans | 66.9 | 139 | 162.8 | -80.9 | -175.6 | -1.5 | 0 | 0 | 121.6 | ||||
| 329 | H | 31.3 | Very low | 31.4 | Very low | 134 Ų | 134 | 138 Ų | 138 | 62% | 0.62 | 75% | 0.752 | S | S | * | * | trans | 102.7 | 120.7 | 135 | -81.4 | -156.1 | 0 | 0 | 0 | 123.3 | ||||
| 330 | H | 31.7 | Very low | 31.9 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 76% | 0.764 | 76% | 0.756 | S | S | * | * | trans | 75.8 | 169.5 | 154.1 | -50.8 | -40.1 | 0 | 0 | 0 | 118.9 | ||||
| 331 | S | 31.2 | Very low | 32.2 | Very low | 108 Ų | 108 | 141.3 Ų | 141.3 | 76% | 0.755 | 75% | 0.754 | S | S | * | * | trans | -138.6 | 176.8 | -147.2 | -50.4 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 332 | V | 32.5 | Very low | 32.3 | Very low | 136 Ų | 136 | 140 Ų | 140 | 82% | 0.824 | 75% | 0.748 | S | S | * | * | trans | 81.3 | 133.4 | 168.2 | -166.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 333 | L | 35.7 | Very low | 32.8 | Very low | 157 Ų | 157 | 144.4 Ų | 144.4 | 82% | 0.822 | 75% | 0.75 | S | S | * | * | cis | -151.1 | 173.9 | 15.7 | -133.9 | 161.3 | 0 | 0 | 0 | 112.2 | ||||
| 334 | A | 31.3 | Very low | 33.6 | Very low | 79 Ų | 79 | 143 Ų | 143 | 65% | 0.653 | 74% | 0.744 | S | S | * | * | trans | 86.2 | 77.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 335 | H | 34.4 | Very low | 34.3 | Very low | 171 Ų | 171 | 144.8 Ų | 144.8 | 79% | 0.792 | 75% | 0.745 | S | S | * | * | 62.9 | 155.7 | 120 | -91.4 | -92.3 | 0 | 0 | 0 | 126.2 | |||||
| 336 | E | 27.8 | Very low | 35.2 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 77% | 0.766 | 75% | 0.753 | S | S | * | * | trans | 69.1 | 130.9 | 175.6 | -55.9 | -53.7 | 94.8 | 0 | 0 | 118.8 | ||||
| 337 | A | 30.3 | Very low | 36 | Very low | 80 Ų | 80 | 143.3 Ų | 143.3 | 66% | 0.661 | 74% | 0.743 | S | S | * | * | cis | -161.3 | 158.8 | -18.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 338 | H | 31.6 | Very low | 37.3 | Very low | 167 Ų | 167 | 145 Ų | 145 | 77% | 0.773 | 75% | 0.746 | S | S | * | * | trans | 70.4 | 87.8 | 149.7 | -147.5 | 72.8 | 0 | 0 | 0 | 121.4 | ||||
| 339 | L | 32.5 | Very low | 38.8 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | 175.9 | 118.3 | 107.9 | -93.1 | 166.1 | 0 | 0 | 0 | 115.2 | |||||
| 340 | K | 40.5 | Very low | 40.3 | Very low | 195 Ų | 195 | 139.7 Ų | 139.7 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | 39 | 96.2 | 156 | -64.5 | -177.1 | 178.7 | 179.6 | 0 | 120.7 | ||||
| 341 | P | 37.5 | Very low | 41.9 | Very low | 116 Ų | 116 | 139.9 Ų | 139.9 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -99.6 | 147.2 | 143.5 | -4.8 | 25 | 0 | 0 | 0 | 112.2 | ||||
| 342 | E | 31.3 | Very low | 44.1 | Very low | 168 Ų | 168 | 136.4 Ų | 136.4 | 79% | 0.785 | 70% | 0.704 | S | S | * | * | trans | -64.1 | 142.4 | 171.5 | -103.2 | -82.6 | 131.7 | 0 | 0 | 112.1 | H344 | E342-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-ND1 3.37Å | ||
| 343 | H | 41.5 | Very low | 45.8 | Very low | 155 Ų | 155 | 135.9 Ų | 135.9 | 72% | 0.718 | 70% | 0.695 | S | S | * | * | trans | -74 | 94.7 | -176.2 | -77 | -86.2 | 0 | 0 | 0 | 112.3 | Y345 | H343-Y345 VanDerWaalsContact C-N 3.34Å; H343-Y345 HydrophobicContact CB-CD2 4.13Å; H343-Y345 HydrophobicContact CB-CE2 4.07Å; H343-Y345 PolarHBondContact O-N 2.92Å | ||
| 344 | H | 45.1 | Very low | 47.5 | Very low | 169 Ų | 169 | 134.1 Ų | 134.1 | 78% | 0.782 | 69% | 0.687 | S | S | * | * | trans | -70 | 83.2 | 175.6 | -72.4 | 60.9 | 0 | 0 | 0 | 111.7 | E342 S346 | E342-H344 PolarHBondContact O-N 3.26Å; E342-H344 PolarHBondContact O-ND1 3.37Å; H344-S346 VanDerWaalsContact C-N 3.32Å; H344-S346 PolarHBondContact O-N 2.99Å | ||
| 345 | Y | 45.6 | Very low | 49.4 | Very low | 206 Ų | 206 | 132.7 Ų | 132.7 | 81% | 0.808 | 67% | 0.668 | S | S | * | * | trans | -68.8 | 83.7 | 172.9 | -88 | -86.9 | 0 | 0 | 0 | 111.6 | H343 F347 | H343-Y345 VanDerWaalsContact C-N 3.34Å; H343-Y345 HydrophobicContact CB-CD2 4.13Å; H343-Y345 HydrophobicContact CB-CE2 4.07Å; H343-Y345 PolarHBondContact O-N 2.92Å; Y345-F347 PolarHBondContact O-N 3.33Å | ||
| 346 | S | 52.1 | Low | 51.1 | Low | 114 Ų | 114 | 129 Ų | 129 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | trans | -68.7 | 82 | 167.2 | -77.4 | 0 | 0 | 0 | 0 | 110.8 | H344 N348 | H344-S346 VanDerWaalsContact C-N 3.32Å; H344-S346 PolarHBondContact O-N 2.99Å; S346-N348 PolarHBondContact O-N 3.32Å | ||
| 347 | F | 48.9 | Very low | 52.7 | Low | 147 Ų | 147 | 127 Ų | 127 | 65% | 0.645 | 65% | 0.645 | S | S | * | * | trans | -66.5 | 89.7 | 178 | -173.1 | -114.4 | 0 | 0 | 0 | 110.7 | Y345 H349 | Y345-F347 PolarHBondContact O-N 3.33Å; F347-H349 HydrophobicContact CD1-CB 3.94Å; F347-H349 HydrophobicContact CE1-CB 3.79Å; F347-H349 AromaticContact CE1-CD2 3.26Å; F347-H349 WeakPolarHBondContact CE1-CD2 3.26Å; F347-H349 AromaticContact CE1-CG 3.45Å; F347-H349 VanDerWaalsContact CE1-CG 3.45Å; F347-H349 AromaticContact CE1-NE2 3.82Å; F347-H349 AromaticContact CZ-CD2 3.21Å; F347-H349 WeakPolarHBondContact CZ-CD2 3.32Å; F347-H349 AromaticContact CZ-CG 3.91Å; F347-H349 AromaticContact CZ-NE2 3.53Å; F347-H349 PolarHBondContact O-N 3.43Å | ||
| 348 | N | 58.7 | Low | 54.1 | Low | 122 Ų | 122 | 125.9 Ų | 125.9 | 65% | 0.652 | 63% | 0.633 | S | S | * | * | trans | -75.9 | 77.3 | 178.9 | -159.9 | -56.5 | 0 | 0 | 0 | 110.8 | S346 N355 | S346-N348 PolarHBondContact O-N 3.32Å; N348-N355 PolarHBondContact ND2-OD1 2.98Å; N348-N355 PolarHBondContact OD1-ND2 3.32Å | ||
| 349 | H | 63.2 | Low | 55.5 | Low | 90 Ų | 90 | 120.5 Ų | 120.5 | 42% | 0.417 | 61% | 0.614 | S | S | . | * | trans | -84.6 | 148.5 | 171.2 | -130 | -127.3 | 0 | 0 | 0 | 110.3 | F347 F351 S352 N355 | F347-H349 HydrophobicContact CD1-CB 3.94Å; F347-H349 HydrophobicContact CE1-CB 3.79Å; F347-H349 AromaticContact CE1-CD2 3.26Å; F347-H349 WeakPolarHBondContact CE1-CD2 3.26Å; F347-H349 AromaticContact CE1-CG 3.45Å; F347-H349 VanDerWaalsContact CE1-CG 3.45Å; F347-H349 AromaticContact CE1-NE2 3.82Å; F347-H349 AromaticContact CZ-CD2 3.21Å; F347-H349 WeakPolarHBondContact CZ-CD2 3.32Å; F347-H349 AromaticContact CZ-CG 3.91Å; F347-H349 AromaticContact CZ-NE2 3.53Å; F347-H349 PolarHBondContact O-N 3.43Å; H349-F351 PolarHBondContact O-N 3.07Å; H349-S352 VanDerWaalsContact O-CB 3.26Å; H349-S352 WeakPolarHBondContact O-CB 3.41Å; H349-S352 PolarHBondContact O-N 3.42Å; H349-N355 PolarHBondContact O-ND2 2.94Å | ||
| 350 | P | 63 | Low | 56.9 | Low | 93 Ų | 93 | 120.4 Ų | 120.4 | 60% | 0.604 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -10.8 | 178.2 | 24.4 | -34.6 | 0 | 0 | 0 | 114.4 | ||
| 351 | F | 64.2 | Low | 57.8 | Low | 168 Ų | 168 | 117.9 Ų | 117.9 | 74% | 0.737 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.8 | 18.7 | 174.3 | -52.7 | -68.9 | 0 | 0 | 0 | 113.2 | H349 | H349-F351 PolarHBondContact O-N 3.07Š|
| 352 | S | 77.8 | Confident | 58.8 | Low | 36 Ų | 36 | 118.3 Ų | 118.3 | 25% | 0.252 | 59% | 0.593 | S | S | . | * | trans | -67.4 | 143.6 | 174.6 | -174.3 | 0 | 0 | 0 | 0 | 110.8 | H349 N354 N355 L356 | H349-S352 VanDerWaalsContact O-CB 3.26Å; H349-S352 WeakPolarHBondContact O-CB 3.41Å; H349-S352 PolarHBondContact O-N 3.42Å; S352-N354 PolarHBondContact O-N 2.88Å; S352-N355 PolarHBondContact O-N 3Å; S352-L356 PolarHBondContact O-N 3.38Å | ||
| 353 | I | 68.4 | Low | 60 | Low | 125 Ų | 125 | 117 Ų | 117 | 64% | 0.641 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.7 | -38.1 | -175 | -63.4 | 172.5 | 0 | 0 | 0 | 111.3 | N355 L356 M357 | I353-N355 VanDerWaalsContact C-N 3.35Å; I353-N355 PolarHBondContact O-N 3.39Å; I353-L356 WeakPolarHBondContact O-CB 3.24Å; I353-L356 PolarHBondContact O-N 2.8Å; I353-M357 HydrophobicContact CG2-CG 4.43Å; I353-M357 HydrophobicContact CG2-SD 4.28Å; I353-M357 PolarHBondContact O-N 2.94Å |
| 354 | N | 72.8 | Confident | 60.7 | Low | 120 Ų | 120 | 115.7 Ų | 115.7 | 64% | 0.642 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -37 | 176.5 | -68.9 | 19 | 0 | 0 | 0 | 112.7 | S352 S358 | S352-N354 PolarHBondContact O-N 2.88Å; N354-S358 WeakPolarHBondContact O-CB 3.24Å; N354-S358 PolarHBondContact O-N 3Å; N354-S358 VanDerWaalsContact O-N 3.15Å; N354-S358 PolarHBondContact O-OG 2.77Å |
| 355 | N | 69.5 | Low | 61.3 | Low | 48 Ų | 48 | 113.6 Ų | 113.6 | 26% | 0.257 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -73.4 | -37.2 | 174.6 | -71.5 | 7.3 | 0 | 0 | 0 | 110.6 | N348 H349 S352 I353 S358 S359 | N348-N355 PolarHBondContact ND2-OD1 2.98Å; N348-N355 PolarHBondContact OD1-ND2 3.32Å; H349-N355 PolarHBondContact O-ND2 2.94Å; S352-N355 PolarHBondContact O-N 3Å; I353-N355 VanDerWaalsContact C-N 3.35Å; I353-N355 PolarHBondContact O-N 3.39Å; N355-S358 PolarHBondContact O-N 3.37Å; N355-S359 PolarHBondContact O-N 2.93Å; N355-S359 PolarHBondContact O-OG 3.49Å |
| 356 | L | 70.1 | Confident | 61.8 | Low | 95 Ų | 95 | 110.3 Ų | 110.3 | 50% | 0.497 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -61.3 | -51.6 | 178.5 | -142.5 | 90.9 | 0 | 0 | 0 | 111 | S352 I353 S358 S359 E360 | S352-L356 PolarHBondContact O-N 3.38Å; I353-L356 WeakPolarHBondContact O-CB 3.24Å; I353-L356 PolarHBondContact O-N 2.8Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 2.88Å; L356-S359 PolarHBondContact O-N 3.18Å; L356-S359 PolarHBondContact O-OG 2.74Å; L356-E360 PolarHBondContact O-N 3.05Å; L356-E360 VanDerWaalsContact O-N 3.1Å |
| 357 | M | 61.6 | Low | 62.1 | Low | 120 Ų | 120 | 111.8 Ų | 111.8 | 59% | 0.591 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -63.7 | -38.6 | 177.2 | -67.2 | -173.9 | 72.1 | 0 | 0 | 112.3 | I353 S359 E360 Q361 | I353-M357 HydrophobicContact CG2-CG 4.43Å; I353-M357 HydrophobicContact CG2-SD 4.28Å; I353-M357 PolarHBondContact O-N 2.94Å; M357-S359 VanDerWaalsContact C-N 3.34Å; M357-S359 PolarHBondContact O-N 2.98Å; M357-E360 PolarHBondContact O-N 3.04Å; M357-Q361 PolarHBondContact O-N 3.14Å |
| 358 | S | 60.8 | Low | 62.5 | Low | 58 Ų | 58 | 110.8 Ų | 110.8 | 41% | 0.406 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.5 | -42.3 | 173.1 | -63.3 | 0 | 0 | 0 | 0 | 112.2 | N354 N355 L356 Q361 Q362 | N354-S358 WeakPolarHBondContact O-CB 3.24Å; N354-S358 PolarHBondContact O-N 3Å; N354-S358 VanDerWaalsContact O-N 3.15Å; N354-S358 PolarHBondContact O-OG 2.77Å; N355-S358 PolarHBondContact O-N 3.37Å; L356-S358 VanDerWaalsContact C-N 3.35Å; L356-S358 PolarHBondContact O-N 2.88Å; S358-Q361 PolarHBondContact O-N 3.47Å; S358-Q362 WeakPolarHBondContact O-CG 3.42Å; S358-Q362 PolarHBondContact O-N 3.23Å |
| 359 | S | 60.7 | Low | 62.5 | Low | 53 Ų | 53 | 109.2 Ų | 109.2 | 37% | 0.371 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.3 | -35.1 | 179.9 | 71.7 | 0 | 0 | 0 | 0 | 113.2 | N355 L356 M357 Q362 H363 | N355-S359 PolarHBondContact O-N 2.93Å; N355-S359 PolarHBondContact O-OG 3.49Å; L356-S359 PolarHBondContact O-N 3.18Å; L356-S359 PolarHBondContact O-OG 2.74Å; M357-S359 VanDerWaalsContact C-N 3.34Å; M357-S359 PolarHBondContact O-N 2.98Å; S359-Q362 PolarHBondContact O-N 3.48Å; S359-H363 PolarHBondContact O-N 2.98Å; S359-H363 VanDerWaalsContact O-N 3.1Å |
| 360 | E | 61.2 | Low | 62.4 | Low | 131 Ų | 131 | 110.3 Ų | 110.3 | 61% | 0.612 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -69.2 | -40.5 | 176.4 | -160.9 | 168.1 | 122.7 | 0 | 0 | 111.3 | L356 M357 H363 H364 | L356-E360 PolarHBondContact O-N 3.05Å; L356-E360 VanDerWaalsContact O-N 3.1Å; M357-E360 PolarHBondContact O-N 3.04Å; E360-H363 PolarHBondContact O-N 3.26Å; E360-H364 PolarHBondContact O-N 2.9Å; E360-H364 VanDerWaalsContact O-N 3.16Å |
| 361 | Q | 59.1 | Low | 62.3 | Low | 141 Ų | 141 | 112.5 Ų | 112.5 | 66% | 0.659 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65 | -40.2 | 172.1 | -73.8 | -175 | -17.4 | 0 | 0 | 112.6 | M357 S358 H363 H364 H365 | M357-Q361 PolarHBondContact O-N 3.14Å; S358-Q361 PolarHBondContact O-N 3.47Å; Q361-H363 VanDerWaalsContact C-N 3.32Å; Q361-H363 PolarHBondContact O-N 2.83Å; Q361-H364 PolarHBondContact O-N 2.95Å; Q361-H364 VanDerWaalsContact O-N 3.16Å; Q361-H365 PolarHBondContact O-N 3.14Å |
| 362 | Q | 59 | Low | 62.5 | Low | 125 Ų | 125 | 108 Ų | 108 | 58% | 0.584 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62 | -36.8 | 175.9 | -78.1 | 176.4 | -0.2 | 0 | 0 | 112.9 | S358 S359 H365 H366 | S358-Q362 WeakPolarHBondContact O-CG 3.42Å; S358-Q362 PolarHBondContact O-N 3.23Å; S359-Q362 PolarHBondContact O-N 3.48Å; Q362-H365 PolarHBondContact O-N 3.12Å; Q362-H366 PolarHBondContact O-N 2.92Å; Q362-H366 PolarHBondContact O-ND1 2.87Å |
| 363 | H | 56.3 | Low | 61.8 | Low | 142 Ų | 142 | 113.2 Ų | 113.2 | 66% | 0.657 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -68.6 | -34.4 | 173.5 | -86.1 | -50.1 | 0 | 0 | 0 | 113.2 | S359 E360 Q361 K367 | S359-H363 PolarHBondContact O-N 2.98Å; S359-H363 VanDerWaalsContact O-N 3.1Å; E360-H363 PolarHBondContact O-N 3.26Å; Q361-H363 VanDerWaalsContact C-N 3.32Å; Q361-H363 PolarHBondContact O-N 2.83Å; H363-K367 WeakPolarHBondContact O-CB 3.25Å; H363-K367 PolarHBondContact O-N 3.06Å; H363-K367 VanDerWaalsContact O-N 3.16Å |
| 364 | H | 56.6 | Low | 61.5 | Low | 126 Ų | 126 | 112.4 Ų | 112.4 | 58% | 0.583 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.8 | -40.2 | 172 | -89 | -71.6 | 0 | 0 | 0 | 112.4 | E360 Q361 K367 M368 | E360-H364 PolarHBondContact O-N 2.9Å; E360-H364 VanDerWaalsContact O-N 3.16Å; Q361-H364 PolarHBondContact O-N 2.95Å; Q361-H364 VanDerWaalsContact O-N 3.16Å; H364-K367 PolarHBondContact O-N 3.16Å; H364-M368 WeakPolarHBondContact O-CG 3.35Å; H364-M368 PolarHBondContact O-N 2.88Å |
| 365 | H | 56.8 | Low | 60.9 | Low | 126 Ų | 126 | 113.1 Ų | 113.1 | 58% | 0.583 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.1 | -48.5 | 176.4 | -137.8 | -67.9 | 0 | 0 | 0 | 111.6 | Q361 Q362 K367 M368 D369 | Q361-H365 PolarHBondContact O-N 3.14Å; Q362-H365 PolarHBondContact O-N 3.12Å; H365-K367 VanDerWaalsContact C-N 3.26Å; H365-K367 PolarHBondContact O-N 2.86Å; H365-M368 WeakPolarHBondContact O-CA 3.4Å; H365-M368 WeakPolarHBondContact O-CB 3.22Å; H365-M368 PolarHBondContact O-N 2.86Å; H365-D369 IonicContact CE1-OD2 2.91Å; H365-D369 IonicContact ND1-OD2 2.98Å; H365-D369 PolarHBondContact ND1-OD2 3.08Å; H365-D369 PolarHBondContact O-N 3.47Å |
| 366 | H | 57.3 | Low | 60.5 | Low | 136 Ų | 136 | 115.1 Ų | 115.1 | 63% | 0.63 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -62 | -30.5 | 175.9 | -80.9 | 80.3 | 0 | 0 | 0 | 113.3 | Q362 L370 | Q362-H366 PolarHBondContact O-N 2.92Å; Q362-H366 PolarHBondContact O-ND1 2.87Å; H366-L370 WeakPolarHBondContact O-CB 3.39Å; H366-L370 PolarHBondContact O-N 2.99Å |
| 367 | K | 57.9 | Low | 60 | Low | 146 Ų | 146 | 116 Ų | 116 | 64% | 0.635 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -73.6 | -26.4 | 172.1 | -89 | -175.7 | 171.3 | 178.2 | 0 | 113.6 | H363 H364 H365 K371 | H363-K367 WeakPolarHBondContact O-CB 3.25Å; H363-K367 PolarHBondContact O-N 3.06Å; H363-K367 VanDerWaalsContact O-N 3.16Å; H364-K367 PolarHBondContact O-N 3.16Å; H365-K367 VanDerWaalsContact C-N 3.26Å; H365-K367 PolarHBondContact O-N 2.86Å; K367-K371 WeakPolarHBondContact O-CB 3.43Å; K367-K371 VanDerWaalsContact O-CG 3.32Å; K367-K371 WeakPolarHBondContact O-CG 3.26Å |
| 368 | M | 57.1 | Low | 59.7 | Low | 126 Ų | 126 | 117.9 Ų | 117.9 | 62% | 0.621 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -73.5 | -50.1 | 170.1 | -73.1 | -67.9 | -67.2 | 0 | 0 | 110.2 | H364 H365 K371 T372 | H364-M368 WeakPolarHBondContact O-CG 3.35Å; H364-M368 PolarHBondContact O-N 2.88Å; H365-M368 WeakPolarHBondContact O-CA 3.4Å; H365-M368 WeakPolarHBondContact O-CB 3.22Å; H365-M368 PolarHBondContact O-N 2.86Å; M368-K371 PolarHBondContact O-N 3.41Å; M368-T372 WeakPolarHBondContact O-CB 3.49Å; M368-T372 PolarHBondContact O-N 3.21Å; M368-T372 PolarHBondContact O-OG1 2.98Å |
| 369 | D | 60.3 | Low | 59 | Low | 89 Ų | 89 | 124.6 Ų | 124.6 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -62.2 | -45.9 | -179.6 | -77.8 | -59.4 | 0 | 0 | 0 | 112.4 | H365 K371 T372 Y373 | H365-D369 IonicContact CE1-OD2 2.91Å; H365-D369 IonicContact ND1-OD2 2.98Å; H365-D369 PolarHBondContact ND1-OD2 3.08Å; H365-D369 PolarHBondContact O-N 3.47Å; D369-K371 PolarHBondContact O-N 3.19Å; D369-T372 CarbonylContact O-C 3.59Å; D369-T372 PolarHBondContact O-N 3.32Å; D369-T372 VanDerWaalsContact O-N 3.14Å; D369-Y373 WeakPolarHBondContact O-CB 3.21Å; D369-Y373 PolarHBondContact O-N 3.43Å |
| 370 | L | 59.5 | Low | 58.6 | Low | 112 Ų | 112 | 127.2 Ų | 127.2 | 59% | 0.586 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -62.6 | -40.8 | 179.1 | -175.8 | 61.7 | 0 | 0 | 0 | 112.3 | H366 Y373 E374 | H366-L370 WeakPolarHBondContact O-CB 3.39Å; H366-L370 PolarHBondContact O-N 2.99Å; L370-Y373 PolarHBondContact O-N 3.23Å; L370-E374 PolarHBondContact O-N 3.39Å |
| 371 | K | 62.3 | Low | 58 | Low | 140 Ų | 140 | 123.7 Ų | 123.7 | 61% | 0.609 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68.1 | -35.7 | 174 | -76.5 | -174.6 | 170.6 | -162.2 | 0 | 112.6 | K367 M368 D369 Y373 E374 Q375 | K367-K371 WeakPolarHBondContact O-CB 3.43Å; K367-K371 VanDerWaalsContact O-CG 3.32Å; K367-K371 WeakPolarHBondContact O-CG 3.26Å; M368-K371 PolarHBondContact O-N 3.41Å; D369-K371 PolarHBondContact O-N 3.19Å; K371-Y373 VanDerWaalsContact C-N 3.32Å; K371-E374 PolarHBondContact O-N 3.45Å; K371-Q375 VanDerWaalsContact O-CB 3.3Å; K371-Q375 WeakPolarHBondContact O-CB 3.4Å; K371-Q375 PolarHBondContact O-N 3.31Å |
| 372 | T | 67.3 | Low | 57.1 | Low | 74 Ų | 74 | 129 Ų | 129 | 45% | 0.454 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -68.6 | -36 | 176.5 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | M368 D369 Q375 V376 | M368-T372 WeakPolarHBondContact O-CB 3.49Å; M368-T372 PolarHBondContact O-N 3.21Å; M368-T372 PolarHBondContact O-OG1 2.98Å; D369-T372 CarbonylContact O-C 3.59Å; D369-T372 PolarHBondContact O-N 3.32Å; D369-T372 VanDerWaalsContact O-N 3.14Å; T372-Q375 WeakPolarHBondContact O-CB 3.18Å; T372-Q375 PolarHBondContact O-N 3.3Å; T372-V376 WeakPolarHBondContact O-CB 3.26Å; T372-V376 VanDerWaalsContact O-CG2 3.3Å; T372-V376 WeakPolarHBondContact O-CG2 3.26Å; T372-V376 PolarHBondContact O-N 2.98Å |
| 373 | Y | 62.7 | Low | 55.8 | Low | 144 Ų | 144 | 127 Ų | 127 | 57% | 0.565 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.5 | -45 | 173.2 | -170.6 | -98.6 | 0 | 0 | 0 | 112 | D369 L370 K371 Q375 V376 M377 | D369-Y373 WeakPolarHBondContact O-CB 3.21Å; D369-Y373 PolarHBondContact O-N 3.43Å; L370-Y373 PolarHBondContact O-N 3.23Å; K371-Y373 VanDerWaalsContact C-N 3.32Å; Y373-Q375 VanDerWaalsContact C-N 3.35Å; Y373-Q375 PolarHBondContact O-N 3.33Å; Y373-V376 PolarHBondContact O-N 2.91Å; Y373-M377 HydrophobicContact CD1-CG 4.17Å; Y373-M377 HydrophobicContact CE1-CG 3.89Å; Y373-M377 HydrophobicContact CE1-SD 4.4Å; Y373-M377 VanDerWaalsContact O-CG 3.25Å; Y373-M377 WeakPolarHBondContact O-CG 3.19Å; Y373-M377 PolarHBondContact O-N 3.05Å |
| 374 | E | 61.8 | Low | 54.9 | Low | 109 Ų | 109 | 125.9 Ų | 125.9 | 51% | 0.509 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -57.2 | -46.7 | 169.6 | -73.6 | -176.6 | 133.6 | 0 | 0 | 111.5 | L370 K371 V376 M377 H378 | L370-E374 PolarHBondContact O-N 3.39Å; K371-E374 PolarHBondContact O-N 3.45Å; E374-V376 VanDerWaalsContact C-N 3.3Å; E374-V376 PolarHBondContact O-N 2.9Å; E374-M377 PolarHBondContact O-N 3.33Å; E374-H378 WeakPolarHBondContact O-CB 3.21Å; E374-H378 PolarHBondContact O-CD2 3.08Å; E374-H378 PolarHBondContact O-N 2.61Å |
| 375 | Q | 60.7 | Low | 54.8 | Low | 135 Ų | 135 | 125.7 Ų | 125.7 | 63% | 0.631 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -58.3 | -38.9 | 178.5 | -165.8 | 88.1 | 45.5 | 0 | 0 | 112.5 | K371 T372 Y373 | K371-Q375 VanDerWaalsContact O-CB 3.3Å; K371-Q375 WeakPolarHBondContact O-CB 3.4Å; K371-Q375 PolarHBondContact O-N 3.31Å; T372-Q375 WeakPolarHBondContact O-CB 3.18Å; T372-Q375 PolarHBondContact O-N 3.3Å; Y373-Q375 VanDerWaalsContact C-N 3.35Å; Y373-Q375 PolarHBondContact O-N 3.33Å |
| 376 | V | 62.3 | Low | 53.7 | Low | 89 Ų | 89 | 128.4 Ų | 128.4 | 54% | 0.539 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -71.2 | -44.5 | 176.2 | 165.3 | 0 | 0 | 0 | 0 | 111.6 | T372 Y373 E374 H378 Y379 | T372-V376 WeakPolarHBondContact O-CB 3.26Å; T372-V376 VanDerWaalsContact O-CG2 3.3Å; T372-V376 WeakPolarHBondContact O-CG2 3.26Å; T372-V376 PolarHBondContact O-N 2.98Å; Y373-V376 PolarHBondContact O-N 2.91Å; E374-V376 VanDerWaalsContact C-N 3.3Å; E374-V376 PolarHBondContact O-N 2.9Å; V376-H378 VanDerWaalsContact C-N 3.25Å; V376-H378 PolarHBondContact O-N 3.45Å; V376-Y379 PolarHBondContact O-N 3.02Å; V376-Y379 VanDerWaalsContact O-N 3.07Å |
| 377 | M | 59.5 | Low | 52.6 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 57% | 0.567 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -63.1 | -33.4 | 177.2 | -67.6 | -68.8 | -80 | 0 | 0 | 111.7 | Y373 E374 Y379 | Y373-M377 HydrophobicContact CD1-CG 4.17Å; Y373-M377 HydrophobicContact CE1-CG 3.89Å; Y373-M377 HydrophobicContact CE1-SD 4.4Å; Y373-M377 VanDerWaalsContact O-CG 3.25Å; Y373-M377 WeakPolarHBondContact O-CG 3.19Å; Y373-M377 PolarHBondContact O-N 3.05Å; E374-M377 PolarHBondContact O-N 3.33Å; M377-Y379 VanDerWaalsContact C-N 3.25Å; M377-Y379 PolarHBondContact O-N 3.32Å |
| 378 | H | 53.8 | Low | 51.5 | Low | 158 Ų | 158 | 123.2 Ų | 123.2 | 73% | 0.731 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | -5.4 | 174.4 | -82.3 | -65.3 | 0 | 0 | 0 | 115.4 | E374 V376 | E374-H378 WeakPolarHBondContact O-CB 3.21Å; E374-H378 PolarHBondContact O-CD2 3.08Å; E374-H378 PolarHBondContact O-N 2.61Å; V376-H378 VanDerWaalsContact C-N 3.25Å; V376-H378 PolarHBondContact O-N 3.45Å |
| 379 | Y | 47.1 | Very low | 50.3 | Low | 200 Ų | 200 | 121.6 Ų | 121.6 | 78% | 0.784 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.3 | 2.6 | 176.6 | -115 | -88.1 | 0 | 0 | 0 | 114.8 | V376 M377 G381 | V376-Y379 PolarHBondContact O-N 3.02Å; V376-Y379 VanDerWaalsContact O-N 3.07Å; M377-Y379 VanDerWaalsContact C-N 3.25Å; M377-Y379 PolarHBondContact O-N 3.32Å; Y379-G381 PolarHBondContact O-N 2.82Å |
| 380 | S | 51.7 | Low | 49.1 | Very low | 107 Ų | 107 | 125.6 Ų | 125.6 | 75% | 0.748 | 71% | 0.712 | S | S | * | * | trans | -94.8 | 66 | 177.6 | -64.6 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 381 | G | 49 | Very low | 47.9 | Very low | 58 Ų | 58 | 125.1 Ų | 125.1 | 60% | 0.598 | 72% | 0.718 | S | S | * | * | trans | -162 | 128.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.9 | Y379 | Y379-G381 PolarHBondContact O-N 2.82Š| ||
| 382 | Y | 40.3 | Very low | 46.7 | Very low | 251 Ų | 251 | 126.9 Ų | 126.9 | 98% | 0.984 | 73% | 0.73 | S | S | * | * | trans | 67.2 | 96.7 | 176.8 | -66.6 | -85.8 | 0 | 0 | 0 | 117.9 | ||||
| 383 | G | 32.2 | Very low | 45.1 | Very low | 83 Ų | 83 | 126.6 Ų | 126.6 | 86% | 0.856 | 74% | 0.742 | S | S | * | * | trans | -157.1 | 106.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 384 | S | 37.9 | Very low | 45.1 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | trans | -113.9 | -176.6 | -170.3 | -143.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 385 | P | 53.9 | Low | 44.1 | Very low | 121 Ų | 121 | 128.1 Ų | 128.1 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | -112.6 | -175.3 | -114.2 | 37.2 | -20.3 | 0 | 0 | 0 | 113.2 | |||||
| 386 | M | 33.3 | Very low | 42.9 | Very low | 183 Ų | 183 | 127 Ų | 127 | 90% | 0.901 | 78% | 0.779 | S | S | * | * | trans | -132 | 130.8 | 169.5 | -162.6 | 178.9 | -174.2 | 0 | 0 | 113.1 | ||||
| 387 | A | 34.2 | Very low | 41.7 | Very low | 98 Ų | 98 | 126 Ų | 126 | 81% | 0.81 | 79% | 0.788 | S | S | * | * | trans | 52.1 | 113.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 388 | G | 34.5 | Very low | 40.8 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 81% | 0.806 | S | S | * | * | trans | 169 | 103.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 389 | A | 33.1 | Very low | 39.8 | Very low | 92 Ų | 92 | 128 Ų | 128 | 76% | 0.76 | 81% | 0.809 | S | S | * | * | trans | 60.4 | 108.9 | 152.7 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 390 | L | 34.9 | Very low | 39.2 | Very low | 173 Ų | 173 | 121.9 Ų | 121.9 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | 57.7 | 121.5 | 122.3 | -57.1 | 177.5 | 0 | 0 | 0 | 123.3 | |||||
| 391 | S | 34.2 | Very low | 38.8 | Very low | 101 Ų | 101 | 125.4 Ų | 125.4 | 71% | 0.706 | 82% | 0.816 | S | S | * | * | 111.5 | 133.6 | 123.5 | -138 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 392 | M | 36.7 | Very low | 38.1 | Very low | 178 Ų | 178 | 129.8 Ų | 129.8 | 88% | 0.877 | 83% | 0.826 | S | S | * | * | trans | 59.1 | 137.2 | 164 | -55.9 | -53.8 | 175.9 | 0 | 0 | 121.6 | ||||
| 393 | G | 33.9 | Very low | 37.8 | Very low | 67 Ų | 67 | 123.6 Ų | 123.6 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | trans | -124.4 | -143.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 394 | P | 62.1 | Low | 37.8 | Very low | 114 Ų | 114 | 123.7 Ų | 123.7 | 74% | 0.74 | 81% | 0.812 | S | S | * | * | cis | -138.4 | -161.6 | -12.4 | 34.9 | -12.3 | 0 | 0 | 0 | 113.4 | ||||
| 395 | M | 40.2 | Very low | 37.6 | Very low | 172 Ų | 172 | 123.1 Ų | 123.1 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | 105.6 | 131.5 | 155.7 | -54.3 | -53 | -167.2 | 0 | 0 | 120.9 | ||||
| 396 | A | 37.1 | Very low | 37.2 | Very low | 110 Ų | 110 | 124.9 Ų | 124.9 | 91% | 0.909 | 81% | 0.81 | S | S | * | * | trans | 62.6 | 139.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 397 | G | 36.7 | Very low | 38.3 | Very low | 70 Ų | 70 | 120.9 Ų | 120.9 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | cis | 166.6 | 166.8 | -10.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 398 | K | 39.4 | Very low | 38.3 | Very low | 217 Ų | 217 | 123.1 Ų | 123.1 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | 69.7 | 163.5 | 175.9 | -65.7 | -173.3 | 177 | -176 | 0 | 118.1 | ||||
| 399 | A | 33.6 | Very low | 38.5 | Very low | 96 Ų | 96 | 125.5 Ų | 125.5 | 79% | 0.793 | 80% | 0.795 | S | S | * | * | cis | 176.2 | 150.9 | -46.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 400 | G | 33.6 | Very low | 39 | Very low | 72 Ų | 72 | 126.4 Ų | 126.4 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | trans | 91.3 | 125.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 401 | L | 44.1 | Very low | 39.1 | Very low | 181 Ų | 181 | 128 Ų | 128 | 95% | 0.948 | 79% | 0.791 | S | S | * | * | cis | 79.8 | 85.7 | 1.2 | -74.5 | 177.1 | 0 | 0 | 0 | 120.8 | ||||
| 402 | D | 33.9 | Very low | 39.4 | Very low | 150 Ų | 150 | 133 Ų | 133 | 80% | 0.802 | 80% | 0.796 | S | S | * | * | trans | -157.4 | 126.5 | 146 | 49.9 | -31.8 | 0 | 0 | 0 | 108.1 | ||||
| 403 | S | 34 | Very low | 39.5 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | 68.7 | 133.2 | 77.1 | -78.6 | 0 | 0 | 0 | 0 | 115 | |||||
| 404 | A | 32.1 | Very low | 39.8 | Very low | 84 Ų | 84 | 132.3 Ų | 132.3 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | cis | -163.3 | 174.1 | -7.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 405 | S | 35.3 | Very low | 38.9 | Very low | 108 Ų | 108 | 132 Ų | 132 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | -8.2 | 153.1 | 149.7 | 55.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 406 | I | 45.5 | Very low | 38.9 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 82% | 0.815 | 79% | 0.785 | S | S | * | * | cis | -165.1 | 172.1 | 23.6 | -115.6 | -98.7 | 0 | 0 | 0 | 108.5 | ||||
| 407 | P | 55.3 | Low | 39.1 | Very low | 98 Ų | 98 | 134.7 Ų | 134.7 | 64% | 0.636 | 78% | 0.782 | S | S | * | * | trans | -106.5 | -152.8 | -156.9 | 44.2 | -41.3 | 0 | 0 | 0 | 117.1 | ||||
| 408 | D | 34.1 | Very low | 39.6 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 79% | 0.788 | S | S | * | * | trans | 99.6 | 121.7 | 168.8 | -67.1 | -32.6 | 0 | 0 | 0 | 119.9 | ||||
| 409 | T | 39.5 | Very low | 40.4 | Very low | 126 Ų | 126 | 137.7 Ų | 137.7 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | -177.2 | 125.2 | 118.7 | -69.2 | 0 | 0 | 0 | 0 | 110 | Y411 | T409-Y411 HydrophobicContact CG2-CD2 4.26Š| |||
| 410 | S | 43.9 | Very low | 41 | Very low | 111 Ų | 111 | 140.6 Ų | 140.6 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -106.2 | 121.7 | 177.9 | -57.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 411 | Y | 37 | Very low | 41.9 | Very low | 206 Ų | 206 | 146.2 Ų | 146.2 | 81% | 0.808 | 79% | 0.792 | S | S | * | * | trans | -142.4 | 122.7 | 172.1 | -109.2 | -90.5 | 0 | 0 | 0 | 115.3 | T409 | T409-Y411 HydrophobicContact CG2-CD2 4.26Š| ||
| 412 | Y | 39.3 | Very low | 41.7 | Very low | 206 Ų | 206 | 144.6 Ų | 144.6 | 81% | 0.808 | 79% | 0.785 | S | S | * | * | trans | 70.4 | 101.9 | 156.3 | -99.1 | -112.1 | 0 | 0 | 0 | 122.6 | ||||
| 413 | Q | 38.8 | Very low | 42.2 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | trans | -76.8 | 138.3 | 141.3 | 177.9 | 78.9 | -3.2 | 0 | 0 | 109 | ||||
| 414 | G | 41.3 | Very low | 43 | Very low | 62 Ų | 62 | 145.7 Ų | 145.7 | 64% | 0.639 | 80% | 0.804 | S | S | * | * | trans | -146 | 144.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 415 | V | 43.2 | Very low | 43.6 | Very low | 107 Ų | 107 | 148.8 Ų | 148.8 | 65% | 0.648 | 81% | 0.809 | S | S | * | * | trans | -133.1 | 143.2 | -161.7 | -66.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 416 | Y | 39 | Very low | 44 | Very low | 216 Ų | 216 | 150.9 Ų | 150.9 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | 54.1 | 130.9 | 164.5 | -57.7 | -65.2 | 0 | 0 | 0 | 120.8 | ||||
| 417 | S | 42.3 | Very low | 44 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | -167.1 | 153.5 | 116.6 | -84.8 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 418 | R | 46.6 | Very low | 43.3 | Very low | 224 Ų | 224 | 153.5 Ų | 153.5 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -110.3 | 147.1 | 171 | -68.3 | -178.3 | 177.1 | -174.7 | 0.3 | 109.9 | ||||
| 419 | P | 55.7 | Low | 43.9 | Very low | 127 Ų | 127 | 154.1 Ų | 154.1 | 83% | 0.825 | 83% | 0.825 | S | S | * | * | trans | -82.1 | 129 | 154.6 | -5.8 | 24.5 | 0 | 0 | 0 | 110.3 | ||||
| 420 | I | 47 | Very low | 44.1 | Very low | 156 Ų | 156 | 155.9 Ų | 155.9 | 80% | 0.8 | 83% | 0.828 | S | S | * | * | trans | -116.8 | 133.6 | 157.7 | 37.2 | 167.7 | 0 | 0 | 0 | 107.1 | ||||
| 421 | M | 52.9 | Low | 44.2 | Very low | 190 Ų | 190 | 159.1 Ų | 159.1 | 94% | 0.936 | 83% | 0.832 | S | S | * | * | trans | -139.1 | 136.8 | 170.1 | -70.2 | -168.8 | 74.5 | 0 | 0 | 109.8 | ||||
| 422 | N | 40 | Very low | 44.7 | Very low | 148 Ų | 148 | 155.5 Ų | 155.5 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | -149.4 | 160.2 | 172.8 | -174.7 | 29.6 | 0 | 0 | 0 | 108.1 | ||||
| 423 | S | 43.6 | Very low | 45.2 | Very low | 93 Ų | 93 | 151.3 Ų | 151.3 | 65% | 0.65 | 84% | 0.836 | S | S | * | * | trans | 62.9 | 104.7 | 166.3 | -59 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 424 | S | 51.6 | Low | 45.7 | Very low | 201 Ų | 201 | 149.6 Ų | 149.6 | 100% | 1.406 | 84% | 0.84 | S | S | * | * | -139.4 | 0 | 102.8 | -68.5 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 424 of 424 residues in 383.3 ms
(Link to these results)