| 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 | 39.1 | Very low | 33.2 | Very low | 243 Ų | 243 | 159 Ų | 159 | 100% | 1.197 | 84% | 0.843 | S | S | * | * | 0 | 105.2 | 0 | -66.5 | 153.1 | 171.9 | 0 | 0 | 105.8 | |||||
| 2 | R | 34.4 | Very low | 33.2 | Very low | 240 Ų | 240 | 160.7 Ų | 160.7 | 91% | 0.906 | 84% | 0.842 | S | S | * | * | 65.1 | 94.9 | 64.4 | -84.9 | -160.1 | -179.6 | -164.7 | 2.3 | 115 | |||||
| 3 | S | 36.1 | Very low | 34.3 | Very low | 108 Ų | 108 | 155.4 Ų | 155.4 | 76% | 0.755 | 82% | 0.823 | S | S | * | * | trans | -161.6 | 114.4 | 138.1 | 52.5 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 4 | L | 36.7 | Very low | 33.8 | Very low | 150 Ų | 150 | 158.8 Ų | 158.8 | 79% | 0.785 | 83% | 0.828 | S | S | * | * | 55.2 | 135.8 | 63.7 | -58.2 | 170.8 | 0 | 0 | 0 | 111.6 | |||||
| 5 | S | 33.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 155.1 Ų | 155.1 | 78% | 0.776 | 82% | 0.822 | S | S | * | * | cis | -173.4 | 169.6 | -10.6 | 50.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 6 | A | 34.4 | Very low | 33.3 | Very low | 91 Ų | 91 | 154.1 Ų | 154.1 | 75% | 0.752 | 82% | 0.815 | S | S | * | * | cis | -153.7 | 178.8 | 9.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 7 | D | 31.1 | Very low | 32.9 | Very low | 146 Ų | 146 | 158.6 Ų | 158.6 | 78% | 0.781 | 82% | 0.819 | S | S | * | * | trans | -73.1 | 163.1 | 169.4 | -47.7 | -83.3 | 0 | 0 | 0 | 113.6 | ||||
| 8 | W | 29.8 | Very low | 32.6 | Very low | 234 Ų | 234 | 162 Ų | 162 | 89% | 0.886 | 82% | 0.819 | S | S | * | * | trans | -160.6 | 135.4 | 130.6 | -96.6 | 97.9 | 0 | 0 | 0 | 111.3 | ||||
| 9 | Y | 31.3 | Very low | 32.4 | Very low | 208 Ų | 208 | 157 Ų | 157 | 82% | 0.816 | 81% | 0.813 | S | S | * | * | trans | -34.1 | 152 | 167.7 | -52.9 | -107.3 | 0 | 0 | 0 | 115.1 | ||||
| 10 | G | 28 | Very low | 32.1 | Very low | 67 Ų | 67 | 159 Ų | 159 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | cis | 137.8 | 119.4 | 7.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 11 | T | 30.7 | Very low | 32 | Very low | 151 Ų | 151 | 160.9 Ų | 160.9 | 93% | 0.926 | 82% | 0.818 | S | S | * | * | trans | -164.4 | 127.9 | 166.9 | 12.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 12 | E | 33.8 | Very low | 31.5 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | trans | -137.2 | 172.7 | 171.7 | -108.4 | -158.3 | -152.7 | 0 | 0 | 107.1 | ||||
| 13 | P | 46.5 | Very low | 31.2 | Very low | 92 Ų | 92 | 157.2 Ų | 157.2 | 60% | 0.597 | 80% | 0.797 | S | S | * | * | cis | -134.1 | 176.4 | -36.7 | 36.5 | -21.2 | 0 | 0 | 0 | 111.4 | ||||
| 14 | F | 27.8 | Very low | 30.9 | Very low | 203 Ų | 203 | 157.7 Ų | 157.7 | 89% | 0.89 | 80% | 0.8 | S | S | * | * | trans | -144.8 | 109 | 149.9 | -115.3 | -82 | 0 | 0 | 0 | 111.4 | ||||
| 15 | S | 29.3 | Very low | 30.7 | Very low | 104 Ų | 104 | 157.8 Ų | 157.8 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -127.8 | 113.5 | 177.9 | 176.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 16 | L | 29.8 | Very low | 30.4 | Very low | 138 Ų | 138 | 160.1 Ų | 160.1 | 72% | 0.723 | 80% | 0.799 | S | S | * | * | trans | -98.9 | 95.6 | 179.3 | -82.9 | 167 | 0 | 0 | 0 | 110.7 | ||||
| 17 | R | 27.2 | Very low | 30.1 | Very low | 232 Ų | 232 | 163.6 Ų | 163.6 | 88% | 0.875 | 80% | 0.803 | S | S | * | * | trans | -106.1 | 96.2 | 176.6 | -167 | -176.1 | -149.1 | -145.4 | 6.7 | 110.6 | G19 | R17-G19 PolarHBondContact O-N 3.43Š| ||
| 18 | W | 28.1 | Very low | 30 | Very low | 219 Ų | 219 | 163 Ų | 163 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | trans | -87.1 | 97.8 | 172.6 | -76.7 | 93.9 | 0 | 0 | 0 | 111.2 | ||||
| 19 | G | 27.2 | Very low | 29.9 | Very low | 67 Ų | 67 | 155.2 Ų | 155.2 | 69% | 0.691 | 80% | 0.797 | S | S | * | * | trans | -94.7 | 115.9 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | R17 | R17-G19 PolarHBondContact O-N 3.43Š| ||
| 20 | F | 27.7 | Very low | 29.8 | Very low | 196 Ų | 196 | 152.4 Ų | 152.4 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -82.7 | 115.2 | 170.8 | -96.8 | -93.9 | 0 | 0 | 0 | 110.8 | ||||
| 21 | K | 29.3 | Very low | 29.8 | Very low | 200 Ų | 200 | 153 Ų | 153 | 87% | 0.87 | 79% | 0.79 | S | S | * | * | trans | -74.6 | 122.8 | 169.2 | -80.9 | 179.3 | 172.8 | 176.8 | 0 | 109.9 | ||||
| 22 | Y | 28.6 | Very low | 29.8 | Very low | 236 Ų | 236 | 156.3 Ų | 156.3 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | trans | -73.2 | 132.5 | 156.5 | -90.2 | -100.5 | 0 | 0 | 0 | 108.9 | ||||
| 23 | K | 28.3 | Very low | 29.6 | Very low | 170 Ų | 170 | 154.8 Ų | 154.8 | 74% | 0.739 | 78% | 0.783 | S | S | * | * | trans | -112.2 | 114.2 | 171.6 | -152.4 | -168.9 | -171.4 | -149.6 | 0 | 108 | E25 | K23-E25 WeakPolarHBondContact CE-OE1 3.44Å; K23-E25 IonicContact NZ-OE1 3.97Å; K23-E25 PolarHBondContact NZ-OE1 2.98Å | ||
| 24 | S | 30.1 | Very low | 28.8 | Very low | 118 Ų | 118 | 158.2 Ų | 158.2 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -97.3 | 119 | 174 | 52.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 25 | E | 31.6 | Very low | 28.7 | Very low | 151 Ų | 151 | 159.3 Ų | 159.3 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | trans | -121.7 | 134.2 | 168 | -84.2 | 167.8 | -165.6 | 0 | 0 | 109.1 | K23 | K23-E25 WeakPolarHBondContact CE-OE1 3.44Å; K23-E25 IonicContact NZ-OE1 3.97Å; K23-E25 PolarHBondContact NZ-OE1 2.98Å | ||
| 26 | L | 27.6 | Very low | 28.6 | Very low | 160 Ų | 160 | 161 Ų | 161 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -134.3 | 111.6 | -169.1 | -141.1 | 172.7 | 0 | 0 | 0 | 105.3 | ||||
| 27 | I | 29.2 | Very low | 28.5 | Very low | 164 Ų | 164 | 163.1 Ų | 163.1 | 84% | 0.841 | 80% | 0.802 | S | S | * | * | trans | -131.4 | 140.5 | 174.2 | -63.1 | -175.9 | 0 | 0 | 0 | 108.6 | ||||
| 28 | V | 29 | Very low | 28.5 | Very low | 133 Ų | 133 | 156.7 Ų | 156.7 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -106.9 | 152.2 | -169.9 | 171.6 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 29 | G | 27.6 | Very low | 28.7 | Very low | 71 Ų | 71 | 151.7 Ų | 151.7 | 73% | 0.732 | 80% | 0.798 | S | S | * | * | trans | 117 | 133.7 | 164.2 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 30 | D | 28.6 | Very low | 29.1 | Very low | 150 Ų | 150 | 154.7 Ų | 154.7 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | cis | 168.3 | 153.2 | -23.9 | 171.1 | 17 | 0 | 0 | 0 | 104.3 | ||||
| 31 | S | 28.8 | Very low | 29.1 | Very low | 78 Ų | 78 | 153.4 Ų | 153.4 | 55% | 0.545 | 80% | 0.804 | S | S | . | * | trans | 79.6 | 121.2 | 155.5 | -82.6 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 32 | R | 29.8 | Very low | 29.2 | Very low | 221 Ų | 221 | 148.6 Ų | 148.6 | 83% | 0.834 | 80% | 0.795 | S | S | * | * | trans | 93.4 | 106.2 | 140 | -64.4 | 165.1 | -159.5 | -157.2 | 3.3 | 120.3 | ||||
| 33 | D | 29.5 | Very low | 29.2 | Very low | 148 Ų | 148 | 149.7 Ų | 149.7 | 79% | 0.791 | 80% | 0.797 | S | S | * | * | 15.8 | 131.2 | 127.4 | -51.4 | -46.7 | 0 | 0 | 0 | 119.6 | |||||
| 34 | I | 29.3 | Very low | 29.6 | Very low | 164 Ų | 164 | 147.4 Ų | 147.4 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | -164.4 | 136.5 | 122.3 | -97.6 | 149.6 | 0 | 0 | 0 | 109.7 | |||||
| 35 | W | 26.7 | Very low | 29.7 | Very low | 225 Ų | 225 | 147 Ų | 147 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | -79.5 | 139.7 | 168.8 | -78 | 65.2 | 0 | 0 | 0 | 111 | ||||
| 36 | V | 27.5 | Very low | 29.7 | Very low | 139 Ų | 139 | 148.7 Ų | 148.7 | 84% | 0.842 | 80% | 0.803 | S | S | * | * | trans | -154 | 137.3 | 143.7 | 159.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 37 | F | 27.7 | Very low | 29.9 | Very low | 183 Ų | 183 | 148.8 Ų | 148.8 | 80% | 0.803 | 80% | 0.804 | S | S | * | * | trans | -66.2 | 140.1 | 167.3 | -95.3 | -122.8 | 0 | 0 | 0 | 112.7 | ||||
| 38 | A | 27 | Very low | 30.3 | Very low | 97 Ų | 97 | 148.6 Ų | 148.6 | 80% | 0.802 | 81% | 0.81 | S | S | * | * | trans | -166 | 112.7 | 141.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 39 | S | 31.6 | Very low | 30.7 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 160.1 | 148.3 | -63.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 40 | P | 34.8 | Very low | 31.1 | Very low | 130 Ų | 130 | 149.1 Ų | 149.1 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | -130.6 | 153.8 | 126.8 | 18.6 | -0.5 | 0 | 0 | 0 | 113.4 | |||||
| 41 | M | 29.4 | Very low | 31.2 | Very low | 169 Ų | 169 | 150 Ų | 150 | 83% | 0.833 | 81% | 0.81 | S | S | * | * | trans | -83.7 | 157.6 | 180 | -75.5 | 168.1 | 55.5 | 0 | 0 | 112.9 | ||||
| 42 | S | 31.6 | Very low | 31.4 | Very low | 98 Ų | 98 | 154.8 Ų | 154.8 | 69% | 0.685 | 83% | 0.828 | S | S | * | * | trans | 69.2 | 134.1 | 155 | 74.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 43 | W | 27.2 | Very low | 31.4 | Very low | 259 Ų | 259 | 148.9 Ų | 148.9 | 98% | 0.981 | 82% | 0.819 | S | S | * | * | -145.3 | 136 | 112.7 | -110.9 | 40.7 | 0 | 0 | 0 | 107.5 | |||||
| 44 | T | 36.5 | Very low | 31.4 | Very low | 122 Ų | 122 | 152.5 Ų | 152.5 | 75% | 0.748 | 82% | 0.824 | S | S | * | * | trans | -96.4 | 168.3 | -178.5 | 42.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 45 | S | 33.2 | Very low | 31.4 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 76% | 0.762 | 82% | 0.822 | S | S | * | * | trans | 74 | 90.2 | 171.1 | -58.7 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 46 | Q | 32.3 | Very low | 31.5 | Very low | 188 Ų | 188 | 145.5 Ų | 145.5 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | 175.8 | 111.2 | 111.1 | -93.6 | 169.2 | 15.2 | 0 | 0 | 110.8 | |||||
| 47 | L | 31.3 | Very low | 31.5 | Very low | 162 Ų | 162 | 145 Ų | 145 | 85% | 0.848 | 82% | 0.824 | S | S | * | * | trans | 167.1 | 62.6 | 148.8 | -93.2 | 160.6 | 0 | 0 | 0 | 110.7 | A49 | L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 2.97Å | ||
| 48 | V | 37.1 | Very low | 31.6 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 97% | 0.97 | 83% | 0.826 | S | S | * | * | trans | -93.3 | 72.6 | 165.9 | -176.9 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 49 | A | 37.6 | Very low | 31.9 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 58% | 0.579 | 83% | 0.826 | S | S | * | * | trans | -157.3 | 151.4 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | L47 | L47-A49 VanDerWaalsContact C-N 3.34Å; L47-A49 PolarHBondContact O-N 2.97Å | ||
| 50 | V | 35 | Very low | 31.7 | Very low | 145 Ų | 145 | 146.1 Ų | 146.1 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | S | Bend | trans | 67.7 | 57.7 | 177.7 | -158.4 | 0 | 0 | 0 | 0 | 115.4 | ||
| 51 | L | 31.5 | Very low | 31.3 | Very low | 169 Ų | 169 | 149.5 Ų | 149.5 | 89% | 0.885 | 83% | 0.828 | S | S | * | * | trans | -152.8 | 37.8 | 151.9 | -115 | 168.7 | 0 | 0 | 0 | 113.9 | ||||
| 52 | L | 32.5 | Very low | 31.3 | Very low | 178 Ų | 178 | 147.7 Ų | 147.7 | 93% | 0.932 | 83% | 0.826 | S | S | * | * | trans | -113.3 | 56.1 | 173.3 | -104.6 | 170.1 | 0 | 0 | 0 | 111.8 | ||||
| 53 | C | 30.5 | Very low | 31.3 | Very low | 96 Ų | 96 | 152.8 Ų | 152.8 | 65% | 0.649 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -148.7 | 144.2 | 166.9 | -119.3 | 0 | 0 | 0 | 0 | 111.8 | ||
| 54 | Y | 29.4 | Very low | 31.3 | Very low | 224 Ų | 224 | 145.9 Ų | 145.9 | 88% | 0.878 | 83% | 0.827 | S | S | * | * | trans | 69.9 | 67.9 | 173.6 | -57.4 | -75.1 | 0 | 0 | 0 | 119.3 | ||||
| 55 | A | 29.1 | Very low | 31.1 | Very low | 98 Ų | 98 | 152.1 Ų | 152.1 | 81% | 0.81 | 84% | 0.837 | S | S | * | * | trans | -146.5 | 38.5 | 162.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 56 | V | 29.5 | Very low | 30.9 | Very low | 144 Ų | 144 | 158.6 Ų | 158.6 | 87% | 0.873 | 85% | 0.845 | S | S | * | * | trans | -144.6 | 91.9 | 164.4 | -168.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 57 | C | 27.8 | Very low | 30.8 | Very low | 129 Ų | 129 | 161.4 Ų | 161.4 | 87% | 0.872 | 85% | 0.847 | S | S | * | * | trans | -160.9 | 96.9 | 149.3 | -133.2 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 58 | H | 30.1 | Very low | 30.7 | Very low | 181 Ų | 181 | 165.3 Ų | 165.3 | 84% | 0.838 | 85% | 0.851 | S | S | * | * | trans | -142.6 | 122.3 | 160.7 | -128.2 | -68.2 | 0 | 0 | 0 | 107.7 | S60 | H58-S60 PolarHBondContact O-N 2.92Š| ||
| 59 | P | 31.5 | Very low | 30.3 | Very low | 124 Ų | 124 | 169.8 Ų | 169.8 | 81% | 0.805 | 85% | 0.85 | S | S | * | * | trans | -82.4 | 115.3 | -177.2 | 30 | -32.1 | 0 | 0 | 0 | 111.1 | ||||
| 60 | S | 28.4 | Very low | 29.8 | Very low | 113 Ų | 113 | 171.8 Ų | 171.8 | 79% | 0.79 | 86% | 0.86 | S | S | * | * | trans | -87.6 | 124.9 | 172.1 | -68.3 | 0 | 0 | 0 | 0 | 111.6 | H58 | H58-S60 PolarHBondContact O-N 2.92Š| ||
| 61 | F | 26 | Very low | 29.5 | Very low | 202 Ų | 202 | 171.4 Ų | 171.4 | 89% | 0.886 | 86% | 0.862 | S | S | * | * | trans | -55.4 | 131.7 | 173.2 | -136.2 | -112.7 | 0 | 0 | 0 | 112 | ||||
| 62 | T | 29.7 | Very low | 29.4 | Very low | 131 Ų | 131 | 169.6 Ų | 169.6 | 80% | 0.804 | 86% | 0.858 | S | S | * | * | trans | -130.8 | 130.9 | 164 | 53.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 63 | K | 30.7 | Very low | 29.2 | Very low | 205 Ų | 205 | 166 Ų | 166 | 89% | 0.891 | 85% | 0.848 | S | S | * | * | trans | -75.9 | 136.5 | 176 | -73.4 | 174.8 | 174.2 | 174.5 | 0 | 109.7 | ||||
| 64 | S | 28 | Very low | 29.2 | Very low | 113 Ų | 113 | 170.6 Ų | 170.6 | 79% | 0.79 | 86% | 0.862 | S | S | * | * | trans | -133.6 | 136.5 | 158.2 | 64.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 65 | R | 31.6 | Very low | 29.1 | Very low | 254 Ų | 254 | 164.9 Ų | 164.9 | 96% | 0.958 | 86% | 0.861 | S | S | * | * | trans | -65.2 | 130 | 176.2 | -83.7 | 169.8 | 157.1 | 165.1 | -8.7 | 109.4 | ||||
| 66 | R | 30.5 | Very low | 29.3 | Very low | 245 Ų | 245 | 165 Ų | 165 | 93% | 0.925 | 86% | 0.862 | S | S | * | * | trans | -109.8 | 124.5 | 159 | -96.1 | -176.9 | 170.1 | 175.1 | -3.8 | 110.1 | ||||
| 67 | R | 29.6 | Very low | 29.4 | Very low | 246 Ų | 246 | 167.9 Ų | 167.9 | 93% | 0.928 | 86% | 0.863 | S | S | * | * | trans | -67.1 | 141.8 | 171 | -78.7 | 174.8 | 163.1 | 165 | -7.2 | 109.5 | ||||
| 68 | R | 28.9 | Very low | 29.5 | Very low | 245 Ų | 245 | 171.4 Ų | 171.4 | 93% | 0.925 | 86% | 0.864 | S | S | * | * | trans | -69.6 | 131.4 | 165.4 | -73 | 174.7 | 169.1 | 169.8 | -5.8 | 109.3 | ||||
| 69 | R | 29.1 | Very low | 29.7 | Very low | 254 Ų | 254 | 174.5 Ų | 174.5 | 96% | 0.958 | 87% | 0.868 | S | S | * | * | trans | -139.4 | 148.9 | 143.3 | -81.4 | -163.2 | 171.9 | 170.1 | -3.4 | 108.6 | ||||
| 70 | S | 27.5 | Very low | 29.7 | Very low | 112 Ų | 112 | 178.4 Ų | 178.4 | 78% | 0.783 | 87% | 0.872 | S | S | * | * | trans | -85.6 | 145.6 | -167.5 | 42.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 71 | C | 27.5 | Very low | 29.8 | Very low | 136 Ų | 136 | 184.8 Ų | 184.8 | 92% | 0.919 | 88% | 0.879 | S | S | * | * | trans | -123.1 | 135.2 | 154.1 | -76.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 72 | T | 30.1 | Very low | 29.8 | Very low | 131 Ų | 131 | 179.2 Ų | 179.2 | 80% | 0.804 | 88% | 0.879 | S | S | * | * | trans | -81.1 | 135.2 | -173.6 | 21.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 73 | S | 28 | Very low | 29.7 | Very low | 102 Ų | 102 | 176.7 Ų | 176.7 | 71% | 0.713 | 88% | 0.879 | S | S | * | * | trans | 31.4 | 114.8 | 136.6 | 62.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 74 | M | 29.3 | Very low | 29.6 | Very low | 193 Ų | 193 | 175.3 Ų | 175.3 | 95% | 0.951 | 88% | 0.881 | S | S | * | * | trans | -130.1 | 134.4 | 134.2 | -84.6 | -67.8 | -93.9 | 0 | 0 | 107.9 | ||||
| 75 | A | 29.3 | Very low | 29.5 | Very low | 105 Ų | 105 | 173.8 Ų | 173.8 | 87% | 0.868 | 88% | 0.884 | S | S | * | * | trans | -93.2 | 145.2 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 76 | A | 31.9 | Very low | 29.4 | Very low | 100 Ų | 100 | 166.4 Ų | 166.4 | 83% | 0.826 | 88% | 0.877 | S | S | * | * | trans | -128.4 | 133.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 77 | F | 31.1 | Very low | 29.3 | Very low | 204 Ų | 204 | 160.2 Ų | 160.2 | 90% | 0.895 | 87% | 0.871 | S | S | * | * | P | Polyproline II helix | trans | -56.8 | 133.2 | -163.1 | -94 | -114.4 | 0 | 0 | 0 | 116.4 | ||
| 78 | K | 31.5 | Very low | 29.3 | Very low | 204 Ų | 204 | 154.2 Ų | 154.2 | 89% | 0.887 | 86% | 0.857 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 130.2 | 152.4 | -103.3 | 175 | 173.7 | 173.1 | 0 | 108.9 | ||
| 79 | R | 33.4 | Very low | 29.4 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 93% | 0.925 | 85% | 0.847 | S | S | * | * | P | Polyproline II helix | trans | -97.8 | 128.2 | 158.5 | -75.3 | -173.3 | 178.6 | 172.3 | 0.4 | 109.8 | ||
| 80 | K | 31.2 | Very low | 29.4 | Very low | 206 Ų | 206 | 147.4 Ų | 147.4 | 90% | 0.896 | 84% | 0.841 | S | S | * | * | trans | -104.8 | 147.8 | 179.6 | -164.8 | -176.6 | -179.7 | -170.4 | 0 | 108.3 | ||||
| 81 | R | 31.1 | Very low | 29.7 | Very low | 247 Ų | 247 | 146 Ų | 146 | 93% | 0.932 | 84% | 0.844 | S | S | * | * | trans | -79.4 | 152.8 | 171.4 | -77.8 | 178.7 | 168.8 | 177.1 | -6.2 | 111 | ||||
| 82 | G | 26.5 | Very low | 29.8 | Very low | 86 Ų | 86 | 149.4 Ų | 149.4 | 89% | 0.887 | 84% | 0.844 | S | S | * | * | trans | 122.4 | 133.2 | 160 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 83 | G | 26.1 | Very low | 29.9 | Very low | 77 Ų | 77 | 153.2 Ų | 153.2 | 79% | 0.794 | 85% | 0.849 | S | S | * | * | trans | 137.1 | 117.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 84 | D | 28.6 | Very low | 30 | Very low | 177 Ų | 177 | 152.1 Ų | 152.1 | 95% | 0.947 | 85% | 0.854 | S | S | * | * | trans | -74.4 | 164.3 | -173.9 | -61.7 | -81.4 | 0 | 0 | 0 | 115.8 | ||||
| 85 | G | 27.1 | Very low | 30 | Very low | 81 Ų | 81 | 152.5 Ų | 152.5 | 84% | 0.835 | 85% | 0.851 | S | S | * | * | trans | -175.7 | 110 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 86 | A | 28.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 156.8 Ų | 156.8 | 82% | 0.818 | 85% | 0.85 | S | S | * | * | trans | -89.9 | 148.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 87 | S | 28.3 | Very low | 29.8 | Very low | 115 Ų | 115 | 158 Ų | 158 | 80% | 0.804 | 85% | 0.847 | S | S | * | * | 168.7 | 142 | 118.9 | 47.3 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 88 | D | 30.4 | Very low | 29.8 | Very low | 119 Ų | 119 | 153.5 Ų | 153.5 | 64% | 0.636 | 84% | 0.836 | S | S | * | * | trans | 65.7 | 107.2 | 142.6 | -81.9 | -8.8 | 0 | 0 | 0 | 125.6 | ||||
| 89 | K | 31.1 | Very low | 29.6 | Very low | 162 Ų | 162 | 151.3 Ų | 151.3 | 70% | 0.704 | 83% | 0.834 | S | S | * | * | 99.2 | 123.1 | 113.2 | -78.8 | 166.9 | -172.3 | 149.1 | 0 | 122 | |||||
| 90 | K | 29.1 | Very low | 29.3 | Very low | 194 Ų | 194 | 149.1 Ų | 149.1 | 84% | 0.843 | 83% | 0.831 | S | S | * | * | trans | 69.5 | 97.5 | 143.8 | -69.9 | -177.8 | 175.8 | 178.6 | 0 | 118.7 | ||||
| 91 | G | 32.3 | Very low | 29.2 | Very low | 82 Ų | 82 | 142.7 Ų | 142.7 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -70.1 | 156.7 | 146.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 92 | K | 31.2 | Very low | 29 | Very low | 208 Ų | 208 | 140.5 Ų | 140.5 | 90% | 0.904 | 82% | 0.823 | S | S | * | * | trans | -137.1 | 115.4 | 172.8 | -153.7 | 176.9 | -174.2 | -175.5 | 0 | 109.4 | ||||
| 93 | K | 30.8 | Very low | 29 | Very low | 211 Ų | 211 | 142.9 Ų | 142.9 | 92% | 0.917 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.3 | 169.5 | -69.8 | 177.8 | 174.3 | 179.4 | 0 | 108.9 | ||
| 94 | G | 31.3 | Very low | 29.8 | Very low | 80 Ų | 80 | 144.7 Ų | 144.7 | 83% | 0.825 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -99.3 | 135.8 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 95 | K | 28.1 | Very low | 30.3 | Very low | 201 Ų | 201 | 142 Ų | 142 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 151.2 | -175.3 | -81 | 179.3 | 170.4 | -178.2 | 0 | 112.6 | ||
| 96 | F | 26.3 | Very low | 30.5 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 86% | 0.855 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -69 | 135 | 154.8 | -126.7 | -103.9 | 0 | 0 | 0 | 109.4 | V98 | F96-V98 HydrophobicContact CD1-CG2 4.47Š|
| 97 | V | 31 | Very low | 30.5 | Very low | 125 Ų | 125 | 149.1 Ų | 149.1 | 76% | 0.758 | 82% | 0.816 | S | S | * | * | trans | -138.6 | 136.9 | 160 | 178.4 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 98 | V | 31.4 | Very low | 30.8 | Very low | 109 Ų | 109 | 151.7 Ų | 151.7 | 66% | 0.661 | 82% | 0.815 | S | S | * | * | trans | -101.1 | 139.4 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 107.4 | F96 | F96-V98 HydrophobicContact CD1-CG2 4.47Š| ||
| 99 | D | 28.3 | Very low | 30.9 | Very low | 159 Ų | 159 | 154.8 Ų | 154.8 | 85% | 0.85 | 83% | 0.826 | S | S | * | * | trans | -141.8 | 155.9 | 157.6 | -127.6 | -31.3 | 0 | 0 | 0 | 111.6 | ||||
| 100 | K | 27.4 | Very low | 31.1 | Very low | 199 Ų | 199 | 154.9 Ų | 154.9 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -112.7 | 149.4 | -174.7 | -67.4 | 177 | 174.7 | -179.5 | 0 | 110.7 | ||||
| 101 | G | 27.6 | Very low | 31.2 | Very low | 70 Ų | 70 | 152.4 Ų | 152.4 | 72% | 0.722 | 83% | 0.83 | S | S | * | * | trans | 153 | 93.7 | 159.2 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 102 | E | 27 | Very low | 31.6 | Very low | 201 Ų | 201 | 156.4 Ų | 156.4 | 94% | 0.939 | 83% | 0.826 | S | S | * | * | trans | 59.2 | 139.2 | 137.5 | -64.2 | 171.2 | -177.6 | 0 | 0 | 123.3 | ||||
| 103 | T | 28 | Very low | 32.4 | Very low | 136 Ų | 136 | 154 Ų | 154 | 83% | 0.834 | 82% | 0.824 | S | S | * | * | trans | -93.3 | -176 | 174.7 | 49.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 104 | P | 41.9 | Very low | 33 | Very low | 116 Ų | 116 | 152 Ų | 152 | 75% | 0.753 | 82% | 0.818 | S | S | * | * | cis | -133.5 | -152.5 | 6.5 | 45.1 | -24.2 | 0 | 0 | 0 | 111.5 | ||||
| 105 | P | 39.9 | Very low | 33.9 | Very low | 121 Ų | 121 | 153.9 Ų | 153.9 | 79% | 0.786 | 81% | 0.812 | S | S | * | * | cis | -129.9 | -163.5 | -4.9 | 42.5 | -22.5 | 0 | 0 | 0 | 115.9 | ||||
| 106 | E | 29.6 | Very low | 34.7 | Very low | 182 Ų | 182 | 149.8 Ų | 149.8 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -85.8 | 151.1 | -156.5 | -57.8 | 153.2 | 150.7 | 0 | 0 | 116.1 | ||||
| 107 | T | 30.6 | Very low | 36.2 | Very low | 147 Ų | 147 | 145.4 Ų | 145.4 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -145.8 | 141.8 | 146.7 | -45.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 108 | E | 34.4 | Very low | 37.5 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -82.9 | 178.8 | -170.5 | -55.1 | 173.6 | 138.4 | 0 | 0 | 114.4 | ||||
| 109 | Q | 32.2 | Very low | 38.8 | Very low | 184 Ų | 184 | 143 Ų | 143 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | 84 | 129.4 | 176.5 | -50.4 | 168.8 | 15.9 | 0 | 0 | 113.9 | ||||
| 110 | E | 34.3 | Very low | 40.2 | Very low | 164 Ų | 164 | 140 Ų | 140 | 77% | 0.766 | 77% | 0.772 | S | S | * | * | cis | -136.6 | 140.1 | 7.2 | -59.4 | 175.6 | 143.1 | 0 | 0 | 110.6 | Q112 | E110-Q112 PolarHBondContact O-N 3.05Å; E110-Q112 VanDerWaalsContact O-N 3.08Å | ||
| 111 | T | 32.9 | Very low | 41.7 | Very low | 141 Ų | 141 | 134 Ų | 134 | 87% | 0.865 | 75% | 0.752 | S | S | * | * | trans | -77.8 | 93.6 | 173.7 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 112 | Q | 40.7 | Very low | 43.1 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 78% | 0.776 | 73% | 0.73 | S | S | * | * | trans | -67.1 | 134.4 | 160.6 | -64.4 | -174.5 | 4.1 | 0 | 0 | 109.1 | E110 E114 | E110-Q112 PolarHBondContact O-N 3.05Å; E110-Q112 VanDerWaalsContact O-N 3.08Å; Q112-E114 PolarHBondContact O-N 2.85Å | ||
| 113 | N | 47.2 | Very low | 44.5 | Very low | 159 Ų | 159 | 131 Ų | 131 | 85% | 0.85 | 73% | 0.725 | S | S | * | * | trans | -71.6 | 71.9 | 176.2 | -74.6 | -42 | 0 | 0 | 0 | 110.9 | V115 | N113-V115 PolarHBondContact O-N 3.41Š| ||
| 114 | E | 43.2 | Very low | 46.3 | Very low | 169 Ų | 169 | 128.1 Ų | 128.1 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -70.8 | 98.7 | 168.6 | -169.1 | 169 | -147.1 | 0 | 0 | 108.2 | Q112 T116 | Q112-E114 PolarHBondContact O-N 2.85Å; E114-T116 PolarHBondContact O-N 2.68Å; E114-T116 PolarHBondContact O-OG1 2.94Å | ||
| 115 | V | 49.9 | Very low | 47.9 | Very low | 118 Ų | 118 | 128.9 Ų | 128.9 | 72% | 0.715 | 71% | 0.714 | S | S | * | * | trans | -67.3 | 88.6 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 107.9 | N113 V117 | N113-V115 PolarHBondContact O-N 3.41Å; V115-V117 PolarHBondContact O-N 3.2Å | ||
| 116 | T | 44.8 | Very low | 49.8 | Very low | 116 Ų | 116 | 125 Ų | 125 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | trans | -59.8 | 98.9 | 175.2 | -47.7 | 0 | 0 | 0 | 0 | 108.6 | E114 P118 | E114-T116 PolarHBondContact O-N 2.68Å; E114-T116 PolarHBondContact O-OG1 2.94Å; T116-P118 WeakPolarHBondContact O-CD 3.18Å | ||
| 117 | V | 58.4 | Low | 51.9 | Low | 103 Ų | 103 | 122.3 Ų | 122.3 | 62% | 0.624 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 116.8 | 178.2 | 179.1 | 0 | 0 | 0 | 0 | 107.4 | V115 | V115-V117 PolarHBondContact O-N 3.2Š|
| 118 | P | 59.1 | Low | 54.2 | Low | 76 Ų | 76 | 118.6 Ų | 118.6 | 49% | 0.494 | 66% | 0.655 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 150.1 | -173.7 | 23.7 | -33.3 | 0 | 0 | 0 | 110.4 | T116 | T116-P118 WeakPolarHBondContact O-CD 3.18Š|
| 119 | P | 58.5 | Low | 56.6 | Low | 108 Ų | 108 | 116.5 Ų | 116.5 | 70% | 0.701 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 150.1 | 177.5 | 23.9 | -34.4 | 0 | 0 | 0 | 110.6 | V121 | P119-V121 PolarHBondContact O-N 3.47Š|
| 120 | P | 57.3 | Low | 59.4 | Low | 96 Ų | 96 | 108.7 Ų | 108.7 | 62% | 0.623 | 61% | 0.607 | S | S | * | * | trans | -55.2 | 111.9 | -170.9 | 21.5 | -33.5 | 0 | 0 | 0 | 111 | S122 | P120-S122 PolarHBondContact O-N 3.22Š| ||
| 121 | V | 58.3 | Low | 62.2 | Low | 73 Ų | 73 | 103.6 Ų | 103.6 | 44% | 0.442 | 58% | 0.58 | S | S | . | * | S | Bend | trans | -60.2 | 2.6 | -175.1 | -75.9 | 0 | 0 | 0 | 0 | 115.1 | P119 M123 Y264 | P119-V121 PolarHBondContact O-N 3.47Å; V121-M123 VanDerWaalsContact C-N 3.29Å; V121-M123 PolarHBondContact O-N 3.03Å; V121-Y264 HydrophobicContact CB-CD1 3.88Å; V121-Y264 HydrophobicContact CB-CE1 4.06Å; V121-Y264 HydrophobicContact CG2-CD1 3.75Å; V121-Y264 HydrophobicContact CG2-CE1 4.24Å; V121-Y264 WeakPolarHBondContact O-CD1 3.21Å |
| 122 | S | 57.1 | Low | 65.1 | Low | 38 Ų | 38 | 96.9 Ų | 96.9 | 27% | 0.266 | 54% | 0.539 | S | S | . | . | trans | -86.7 | 38.3 | -177 | 69.5 | 0 | 0 | 0 | 0 | 114.2 | P120 G124 Y264 | P120-S122 PolarHBondContact O-N 3.22Å; S122-G124 PolarHBondContact O-N 3.44Å; S122-Y264 VanDerWaalsContact CB-O 3.25Å; S122-Y264 WeakPolarHBondContact CB-O 3.33Å | ||
| 123 | M | 56.8 | Low | 67.8 | Low | 168 Ų | 168 | 89 Ų | 89 | 83% | 0.828 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -68 | 79.1 | 172.1 | -70.5 | -69.2 | -83.3 | 0 | 0 | 110.2 | V121 K125 | V121-M123 VanDerWaalsContact C-N 3.29Å; V121-M123 PolarHBondContact O-N 3.03Å; M123-K125 PolarHBondContact O-N 2.9Å |
| 124 | G | 65.8 | Low | 70.1 | Confident | 77 Ų | 77 | 81.4 Ų | 81.4 | 79% | 0.794 | 46% | 0.462 | S | S | * | . | S | Bend | trans | 73 | -23.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 116.4 | S122 W126 | S122-G124 PolarHBondContact O-N 3.44Å; G124-W126 PolarHBondContact O-N 3.42Å |
| 125 | K | 74.5 | Confident | 72.6 | Confident | 131 Ų | 131 | 73.5 Ų | 73.5 | 57% | 0.57 | 43% | 0.425 | S | S | * | . | trans | -69.8 | 2.2 | -171.8 | -62.8 | -178.3 | -178.4 | -178.6 | 0 | 116.4 | M123 T127 Y264 | M123-K125 PolarHBondContact O-N 2.9Å; K125-T127 PolarHBondContact O-N 2.97Å; K125-Y264 HydrophobicContact CB-CD2 3.47Å; K125-Y264 VanDerWaalsContact CB-CD2 3.47Å; K125-Y264 HydrophobicContact CB-CE2 3.59Å; K125-Y264 HydrophobicContact CB-CG 4.17Å; K125-Y264 HydrophobicContact CD-CE2 3.97Å; K125-Y264 HydrophobicContact CG-CE2 4.41Å; K125-Y264 WeakPolarHBondContact O-CD2 3.48Å | ||
| 126 | W | 80.4 | Confident | 74.8 | Confident | 41 Ų | 41 | 67.9 Ų | 67.9 | 16% | 0.155 | 39% | 0.391 | C | S | . | . | trans | -77.6 | 87.1 | 179.4 | -176.6 | 24.2 | 0 | 0 | 0 | 111.5 | G124 N128 K129 H265 P266 | G124-W126 PolarHBondContact O-N 3.42Å; W126-N128 PolarHBondContact NE1-O 2.81Å; W126-K129 HydrophobicContact CD2-CG 3.89Å; W126-K129 HydrophobicContact CE3-CG 4.22Å; W126-K129 HydrophobicContact CG-CG 4.33Å; W126-K129 HydrophobicContact CH2-CG 4.41Å; W126-K129 HydrophobicContact CZ2-CB 4.11Å; W126-K129 HydrophobicContact CZ2-CG 4.07Å; W126-K129 HydrophobicContact CZ3-CG 4.48Å; W126-K129 WeakPolarHBondContact O-CE 3.29Å; W126-H265 AromaticContact CH2-CD2 3.98Å; W126-H265 AromaticContact CZ2-CD2 3.68Å; W126-P266 HydrophobicContact CE3-CG 4.41Å; W126-P266 HydrophobicContact CZ3-CG 4.35Å | ||
| 127 | T | 74.5 | Confident | 77.1 | Confident | 124 Ų | 124 | 62.7 Ų | 62.7 | 76% | 0.761 | 36% | 0.359 | S | S | * | . | trans | -75.4 | -58.2 | -177.3 | 52 | 0 | 0 | 0 | 0 | 112.8 | K125 K129 | K125-T127 PolarHBondContact O-N 2.97Å; T127-K129 PolarHBondContact O-N 3.32Å | ||
| 128 | N | 78.8 | Confident | 78.7 | Confident | 70 Ų | 70 | 63.7 Ų | 63.7 | 37% | 0.374 | 35% | 0.352 | S | S | . | . | trans | -86.2 | 97.4 | -178.5 | -171.1 | -3.8 | 0 | 0 | 0 | 111.6 | W126 E130 P262 | W126-N128 PolarHBondContact NE1-O 2.81Å; N128-E130 PolarHBondContact ND2-OE1 2.95Å; N128-E130 PolarHBondContact ND2-OE2 2.79Å; N128-E130 PolarHBondContact O-N 2.89Å; N128-E130 WeakPolarHBondContact OD1-CG 3.36Å; N128-E130 PolarHBondContact OD1-N 2.96Å; N128-E130 PolarHBondContact OD1-OE1 2.89Å; N128-P262 WeakPolarHBondContact O-CB 3.12Å | ||
| 129 | K | 85.1 | Confident | 80.2 | Confident | 125 Ų | 125 | 61.5 Ų | 61.5 | 54% | 0.543 | 34% | 0.344 | S | S | . | . | trans | -82.2 | 45.3 | -178.1 | -66.8 | 175 | -177 | 168.4 | 0 | 113.5 | W126 T127 N183 | W126-K129 HydrophobicContact CD2-CG 3.89Å; W126-K129 HydrophobicContact CE3-CG 4.22Å; W126-K129 HydrophobicContact CG-CG 4.33Å; W126-K129 HydrophobicContact CH2-CG 4.41Å; W126-K129 HydrophobicContact CZ2-CB 4.11Å; W126-K129 HydrophobicContact CZ2-CG 4.07Å; W126-K129 HydrophobicContact CZ3-CG 4.48Å; W126-K129 WeakPolarHBondContact O-CE 3.29Å; T127-K129 PolarHBondContact O-N 3.32Å; K129-N183 PolarHBondContact O-ND2 2.82Å | ||
| 130 | E | 89.6 | Confident | 81.9 | Confident | 19 Ų | 19 | 56.6 Ų | 56.6 | 9% | 0.089 | 31% | 0.311 | C | S | . | . | trans | -64.3 | 138.4 | 175.5 | -95.9 | 161.9 | -159.1 | 0 | 0 | 112.9 | N128 P262 | N128-E130 PolarHBondContact ND2-OE1 2.95Å; N128-E130 PolarHBondContact ND2-OE2 2.79Å; N128-E130 PolarHBondContact O-N 2.89Å; N128-E130 WeakPolarHBondContact OD1-CG 3.36Å; N128-E130 PolarHBondContact OD1-N 2.96Å; N128-E130 PolarHBondContact OD1-OE1 2.89Å; E130-P262 HydrophobicContact CB-CG 4.32Å | ||
| 131 | R | 92.7 | Very high | 83.6 | Confident | 57 Ų | 57 | 56 Ų | 56 | 22% | 0.215 | 30% | 0.303 | C | S | . | . | trans | -146.9 | 129.3 | -178.8 | -70.5 | 169.1 | 176.2 | 169.2 | 5 | 109.3 | N181 N183 K184 | R131-N181 WeakPolarHBondContact CD-O 3.34Å; R131-N181 PolarHBondContact NH1-ND2 3.05Å; R131-N181 PolarHBondContact NH1-O 2.88Å; R131-N181 VanDerWaalsContact NH1-O 3.14Å; R131-N181 PolarHBondContact NH1-OD1 3.25Å; R131-N183 PolarHBondContact O-N 3.44Å; R131-K184 PolarHBondContact O-N 2.73Å; R131-K184 VanDerWaalsContact O-N 3.14Å | ||
| 132 | V | 95.2 | Very high | 85.2 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 116.8 | -175 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | I134 H157 S158 K159 K184 L186 T258 | V132-I134 HydrophobicContact CG1-CG1 4.01Å; V132-H157 PolarHBondContact N-O 2.6Å; V132-H157 VanDerWaalsContact N-O 3.14Å; V132-S158 CarbonylContact O-C 3.58Å; V132-S158 VanDerWaalsContact O-CA 3.27Å; V132-S158 WeakPolarHBondContact O-CA 3.31Å; V132-K159 PolarHBondContact O-N 3.45Å; V132-K184 WeakPolarHBondContact CA-O 3.3Å; V132-K184 HydrophobicContact CB-CB 4.32Å; V132-K184 HydrophobicContact CG1-CB 4.39Å; V132-K184 HydrophobicContact CG2-CB 3.88Å; V132-K184 HydrophobicContact CG2-CG 4.36Å; V132-L186 HydrophobicContact CG1-CB 4.37Å; V132-L186 HydrophobicContact CG1-CD1 3.86Å; V132-L186 HydrophobicContact CG1-CG 3.81Å; V132-T258 HydrophobicContact CG1-CG2 4.19Å; V132-T258 HydrophobicContact CG2-CG2 4.35Å; V132-T258 WeakPolarHBondContact CG2-O 3.45Å |
| 133 | L | 96.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 122.9 | 169.9 | -169.6 | 71 | 0 | 0 | 0 | 109.4 | F135 K159 D161 V176 C177 K180 C182 K184 L186 | L133-F135 HydrophobicContact CD2-CD1 3.67Å; L133-F135 HydrophobicContact CD2-CE1 3.7Å; L133-F135 HydrophobicContact CG-CD1 3.85Å; L133-F135 HydrophobicContact CG-CE1 4.31Å; L133-K159 HydrophobicContact CD1-CB 4.39Å; L133-D161 HydrophobicContact CD1-CB 3.99Å; L133-V176 HydrophobicContact CD2-CB 4.49Å; L133-V176 HydrophobicContact CD2-CG1 3.8Å; L133-C177 VanDerWaalsContact CD2-SG 3.5Å; L133-K180 HydrophobicContact CD1-CB 4.2Å; L133-K180 HydrophobicContact CD1-CG 4.03Å; L133-C182 HydrophobicContact CB-CB 3.99Å; L133-K184 PolarHBondContact N-O 2.77Å; L133-L186 PolarHBondContact O-N 3.45Å |
| 134 | I | 96.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 109.7 | 176.2 | -49.8 | -176.9 | 0 | 0 | 0 | 109.5 | V132 M148 L151 R152 M155 S158 K159 L186 F188 | V132-I134 HydrophobicContact CG1-CG1 4.01Å; I134-M148 HydrophobicContact CG2-CG 3.84Å; I134-L151 HydrophobicContact CD1-CB 4.37Å; I134-R152 HydrophobicContact CB-CG 4.14Å; I134-R152 HydrophobicContact CD1-CG 3.93Å; I134-R152 HydrophobicContact CG2-CG 4.24Å; I134-R152 PolarHBondContact O-NE 2.96Å; I134-R152 PolarHBondContact O-NH2 2.87Å; I134-M155 HydrophobicContact CD1-CE 3.53Å; I134-S158 VanDerWaalsContact CD1-CB 3.43Å; I134-K159 PolarHBondContact N-O 3.49Å; I134-L186 WeakPolarHBondContact CA-O 3.46Å; I134-L186 HydrophobicContact CD1-CD1 4.28Å; I134-L186 HydrophobicContact CG1-CB 4.27Å; I134-L186 HydrophobicContact CG1-CD1 4.21Å; I134-L186 HydrophobicContact CG2-CB 4.47Å; I134-F188 HydrophobicContact CG2-CD2 4.5Å; I134-F188 HydrophobicContact CG2-CE2 3.95Å |
| 135 | F | 95.4 | Very high | 90 | Very high | 3 Ų | 3 | 57 Ų | 57 | 1% | 0.013 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 179.8 | 178.5 | 76.9 | -71.4 | 0 | 0 | 0 | 112.3 | L133 D161 M164 V173 L186 F187 F188 | L133-F135 HydrophobicContact CD2-CD1 3.67Å; L133-F135 HydrophobicContact CD2-CE1 3.7Å; L133-F135 HydrophobicContact CG-CD1 3.85Å; L133-F135 HydrophobicContact CG-CE1 4.31Å; F135-D161 HydrophobicContact CB-CB 4.23Å; F135-M164 HydrophobicContact CD2-CB 4.33Å; F135-M164 HydrophobicContact CE2-CB 3.88Å; F135-M164 HydrophobicContact CE2-SD 4.19Å; F135-V173 HydrophobicContact CE1-CG1 3.68Å; F135-V173 HydrophobicContact CE2-CG2 4.44Å; F135-V173 HydrophobicContact CZ-CB 4.14Å; F135-V173 HydrophobicContact CZ-CG1 3.52Å; F135-V173 HydrophobicContact CZ-CG2 3.7Å; F135-L186 PolarHBondContact N-O 2.96Å; F135-F187 HydrophobicContact CD1-CD2 4.36Å; F135-F187 AromaticContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CE2 4.15Å; F135-F187 HydrophobicContact CE1-CB 3.97Å; F135-F187 AromaticContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CG 4.29Å; F135-F187 AromaticContact CE2-CD2 3.29Å; F135-F187 HydrophobicContact CE2-CD2 3.29Å; F135-F187 AromaticContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CG 4.31Å; F135-F187 HydrophobicContact CG-CD2 4.34Å; F135-F187 HydrophobicContact CZ-CB 4.06Å; F135-F187 AromaticContact CZ-CD2 3.28Å; F135-F187 HydrophobicContact CZ-CD2 3.28Å; F135-F187 AromaticContact CZ-CE2 3.93Å; F135-F187 HydrophobicContact CZ-CE2 3.93Å; F135-F187 AromaticContact CZ-CG 3.88Å; F135-F187 HydrophobicContact CZ-CG 3.88Å; F135-F188 PolarHBondContact O-N 3Å |
| 136 | S | 95.2 | Very high | 91 | Very high | 1 Ų | 1 | 54.2 Ų | 54.2 | 1% | 0.007 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 149.2 | -169.5 | 55.1 | 0 | 0 | 0 | 0 | 113 | K163 M164 F188 | S136-K163 VanDerWaalsContact O-CA 3.24Å; S136-K163 WeakPolarHBondContact O-CA 3.2Å; S136-M164 PolarHBondContact O-N 3.1Å; S136-F188 WeakPolarHBondContact CA-O 3.39Å |
| 137 | S | 94.2 | Very high | 91.6 | Very high | 7 Ų | 7 | 52.3 Ų | 52.3 | 5% | 0.049 | 25% | 0.246 | C | C | . | . | trans | -66.6 | 155.8 | 165.3 | 58.6 | 0 | 0 | 0 | 0 | 112.2 | M164 F188 E189 A190 | S137-M164 WeakPolarHBondContact CA-O 3.46Å; S137-F188 PolarHBondContact N-O 2.69Å; S137-F188 PolarHBondContact OG-O 3.08Å; S137-E189 WeakPolarHBondContact OG-CA 3.46Å; S137-A190 PolarHBondContact OG-N 3.4Å | ||
| 138 | R | 91.9 | Very high | 92.6 | Very high | 123 Ų | 123 | 47.1 Ų | 47.1 | 46% | 0.464 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 141.1 | 175.8 | -67.7 | -172.4 | -166.1 | 165.7 | 3.1 | 113 | K163 M164 D165 R166 | R138-K163 HydrophobicContact CG-CB 3.97Å; R138-K163 PolarHBondContact NE-O 2.99Å; R138-K163 VanDerWaalsContact NE-O 3.14Å; R138-M164 PolarHBondContact N-O 3.19Å; R138-D165 VanDerWaalsContact CD-OD1 3.29Å; R138-D165 WeakPolarHBondContact CD-OD1 3.45Å; R138-D165 IonicContact CZ-OD1 3.91Å; R138-D165 IonicContact CZ-OD2 3.84Å; R138-D165 IonicContact NE-OD1 3.25Å; R138-D165 PolarHBondContact NE-OD1 2.78Å; R138-D165 IonicContact NE-OD2 3.74Å; R138-D165 IonicContact NH1-OD1 2.69Å; R138-D165 PolarHBondContact NH1-OD1 3.23Å; R138-D165 IonicContact NH1-OD2 3.53Å; R138-D165 PolarHBondContact NH1-OD2 3.02Å; R138-D165 IonicContact NH2-OD1 3.75Å; R138-D165 IonicContact NH2-OD2 2.74Å; R138-D165 PolarHBondContact NH2-OD2 2.9Å; R138-R166 VanDerWaalsContact O-CZ 3.29Å; R138-R166 PolarHBondContact O-NE 3.32Å; R138-R166 PolarHBondContact O-NH2 3.36Å |
| 139 | G | 91.1 | Very high | 93.4 | Very high | 31 Ų | 31 | 45 Ų | 45 | 32% | 0.32 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 85.3 | 25.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 140 | I | 93.4 | Very high | 93.8 | Very high | 4 Ų | 4 | 39.8 Ų | 39.8 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | trans | -54.6 | 145.5 | 161.5 | 50.1 | 170.9 | 0 | 0 | 0 | 112.7 | T144 R145 M148 A190 | I140-T144 HydrophobicContact CB-CG2 4.03Å; I140-T144 HydrophobicContact CG2-CG2 3.85Å; I140-R145 HydrophobicContact CD1-CB 4.48Å; I140-R145 HydrophobicContact CD1-CG 3.44Å; I140-R145 VanDerWaalsContact CD1-CG 3.44Å; I140-R145 HydrophobicContact CG1-CG 3.98Å; I140-R145 PolarHBondContact O-NE 2.86Å; I140-R145 PolarHBondContact O-NH2 3.36Å; I140-M148 HydrophobicContact CD1-CE 4.49Å; I140-A190 HydrophobicContact CB-CB 4.38Å; I140-A190 HydrophobicContact CG2-CB 3.76Å | ||
| 141 | N | 93.3 | Very high | 94 | Very high | 83 Ų | 83 | 39 Ų | 39 | 44% | 0.444 | 18% | 0.183 | S | C | . | . | trans | -69.6 | 165.2 | 175.5 | -164.4 | 3.7 | 0 | 0 | 0 | 111.3 | T144 R145 | N141-T144 PolarHBondContact O-N 2.92Å; N141-R145 WeakPolarHBondContact O-CG 3.32Å; N141-R145 PolarHBondContact O-N 2.89Å; N141-R145 PolarHBondContact O-NE 3.14Å | ||
| 142 | F | 92.6 | Very high | 94 | Very high | 129 Ų | 129 | 39.6 Ų | 39.6 | 57% | 0.566 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -57 | -53.6 | 175.7 | 177.7 | -101.9 | 0 | 0 | 0 | 111.6 | T144 R145 H146 | F142-T144 VanDerWaalsContact C-N 3.25Å; F142-T144 PolarHBondContact O-N 2.9Å; F142-R145 WeakPolarHBondContact O-CB 3.44Å; F142-R145 PolarHBondContact O-N 3.36Å; F142-H146 AromaticContact CE1-CD2 3.69Å; F142-H146 AromaticContact CE1-NE2 3.65Å; F142-H146 AromaticContact CE2-CD2 3.94Å; F142-H146 AromaticContact CE2-NE2 3.37Å; F142-H146 WeakPolarHBondContact CE2-NE2 3.36Å; F142-H146 AromaticContact CZ-CD2 3.63Å; F142-H146 AromaticContact CZ-NE2 3.09Å; F142-H146 WeakPolarHBondContact CZ-NE2 3.41Å; F142-H146 PolarHBondContact O-CD2 3.32Å; F142-H146 PolarHBondContact O-N 2.88Å |
| 143 | R | 92.4 | Very high | 93.8 | Very high | 122 Ų | 122 | 42.7 Ų | 42.7 | 46% | 0.46 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -58 | -35.6 | 179.3 | -161.8 | 179 | -57.9 | 167.4 | 0.3 | 113.3 | R145 H146 L147 I216 T218 E221 | R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 2.95Å; R143-H146 PolarHBondContact O-N 3.07Å; R143-L147 PolarHBondContact O-N 3.32Å; R143-I216 WeakPolarHBondContact CD-O 3.46Å; R143-I216 HydrophobicContact CG-CG2 3.99Å; R143-I216 PolarHBondContact NH1-O 3.1Å; R143-I216 VanDerWaalsContact NH1-O 3.08Å; R143-T218 HydrophobicContact CG-CG2 3.73Å; R143-E221 IonicContact NE-OE1 3.95Å |
| 144 | T | 93.3 | Very high | 93.6 | Very high | 8 Ų | 8 | 43 Ų | 43 | 5% | 0.049 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -65.2 | -31 | 175 | -49.3 | 0 | 0 | 0 | 0 | 113 | I140 N141 F142 M148 L196 | I140-T144 HydrophobicContact CB-CG2 4.03Å; I140-T144 HydrophobicContact CG2-CG2 3.85Å; N141-T144 PolarHBondContact O-N 2.92Å; F142-T144 VanDerWaalsContact C-N 3.25Å; F142-T144 PolarHBondContact O-N 2.9Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 PolarHBondContact O-N 3.36Å; T144-L196 HydrophobicContact CG2-CD1 3.67Å; T144-L196 HydrophobicContact CG2-CD2 3.63Å; T144-L196 HydrophobicContact CG2-CG 4.29Å |
| 145 | R | 94.1 | Very high | 93.3 | Very high | 120 Ų | 120 | 43 Ų | 43 | 45% | 0.453 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.6 | -41.4 | 175.9 | -64.3 | 162.2 | -152.1 | 164 | 7.7 | 110.9 | I140 N141 F142 R143 M148 G149 | I140-R145 HydrophobicContact CD1-CB 4.48Å; I140-R145 HydrophobicContact CD1-CG 3.44Å; I140-R145 VanDerWaalsContact CD1-CG 3.44Å; I140-R145 HydrophobicContact CG1-CG 3.98Å; I140-R145 PolarHBondContact O-NE 2.86Å; I140-R145 PolarHBondContact O-NH2 3.36Å; N141-R145 WeakPolarHBondContact O-CG 3.32Å; N141-R145 PolarHBondContact O-N 2.89Å; N141-R145 PolarHBondContact O-NE 3.14Å; F142-R145 WeakPolarHBondContact O-CB 3.44Å; F142-R145 PolarHBondContact O-N 3.36Å; R143-R145 VanDerWaalsContact C-N 3.31Å; R143-R145 PolarHBondContact O-N 2.95Å; R145-M148 PolarHBondContact O-N 3.03Å; R145-G149 PolarHBondContact O-N 3.2Å |
| 146 | H | 94.3 | Very high | 93.2 | Very high | 71 Ų | 71 | 43.6 Ų | 43.6 | 33% | 0.329 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.4 | -53 | 173.7 | -74.3 | -79.2 | 0 | 0 | 0 | 110.3 | F142 R143 M148 G149 D150 T218 | F142-H146 AromaticContact CE1-CD2 3.69Å; F142-H146 AromaticContact CE1-NE2 3.65Å; F142-H146 AromaticContact CE2-CD2 3.94Å; F142-H146 AromaticContact CE2-NE2 3.37Å; F142-H146 WeakPolarHBondContact CE2-NE2 3.36Å; F142-H146 AromaticContact CZ-CD2 3.63Å; F142-H146 AromaticContact CZ-NE2 3.09Å; F142-H146 WeakPolarHBondContact CZ-NE2 3.41Å; F142-H146 PolarHBondContact O-CD2 3.32Å; F142-H146 PolarHBondContact O-N 2.88Å; R143-H146 PolarHBondContact O-N 3.07Å; H146-M148 PolarHBondContact O-N 2.87Å; H146-M148 VanDerWaalsContact O-N 3.11Å; H146-G149 CarbonylContact O-C 3.51Å; H146-G149 WeakPolarHBondContact O-CA 3.43Å; H146-G149 PolarHBondContact O-N 3.38Å; H146-D150 PolarHBondContact O-N 3.42Å; H146-D150 VanDerWaalsContact O-OD1 3.06Å; H146-T218 HydrophobicContact CB-CG2 3.69Å |
| 147 | L | 94.4 | Very high | 93 | Very high | 2 Ų | 2 | 43.7 Ų | 43.7 | 1% | 0.01 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -50.9 | -42.5 | 174.7 | 178.6 | 66.2 | 0 | 0 | 0 | 113.3 | R143 D150 L151 F188 L196 I216 T218 P304 F306 | R143-L147 PolarHBondContact O-N 3.32Å; L147-D150 PolarHBondContact O-N 2.97Å; L147-L151 HydrophobicContact CD1-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 2.97Å; L147-F188 HydrophobicContact CD2-CE1 4.44Å; L147-L196 HydrophobicContact CD2-CD2 4.4Å; L147-I216 HydrophobicContact CB-CG2 4.13Å; L147-I216 HydrophobicContact CD1-CG2 4.4Å; L147-I216 HydrophobicContact CD2-CD1 4.15Å; L147-I216 HydrophobicContact CD2-CG1 4.25Å; L147-I216 HydrophobicContact CD2-CG2 3.88Å; L147-I216 HydrophobicContact CG-CG2 4.36Å; L147-T218 HydrophobicContact CB-CG2 4.24Å; L147-P304 HydrophobicContact CD1-CB 3.67Å; L147-P304 HydrophobicContact CD1-CG 3.89Å; L147-F306 HydrophobicContact CD1-CD1 3.7Å; L147-F306 HydrophobicContact CD1-CE1 3.98Å |
| 148 | M | 95 | Very high | 93.1 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 7% | 0.069 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -68.4 | -34 | 176.5 | -173 | -173 | 65.8 | 0 | 0 | 112.6 | I134 I140 T144 R145 H146 R152 F188 | I134-M148 HydrophobicContact CG2-CG 3.84Å; I140-M148 HydrophobicContact CD1-CE 4.49Å; T144-M148 WeakPolarHBondContact O-CB 3.49Å; T144-M148 PolarHBondContact O-N 3.36Å; R145-M148 PolarHBondContact O-N 3.03Å; H146-M148 PolarHBondContact O-N 2.87Å; H146-M148 VanDerWaalsContact O-N 3.11Å; M148-R152 WeakPolarHBondContact O-CB 3.48Å; M148-R152 VanDerWaalsContact O-CD 3.3Å; M148-R152 WeakPolarHBondContact O-CD 3.44Å; M148-R152 WeakPolarHBondContact O-CG 3.33Å; M148-R152 PolarHBondContact O-N 3.02Å; M148-F188 HydrophobicContact CB-CE2 4.38Å; M148-F188 HydrophobicContact CG-CD2 4.24Å; M148-F188 HydrophobicContact CG-CE2 4.2Å |
| 149 | G | 94.4 | Very high | 93.2 | Very high | 26 Ų | 26 | 41.8 Ų | 41.8 | 27% | 0.268 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.9 | -43.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R145 H146 R152 T153 | R145-G149 PolarHBondContact O-N 3.2Å; H146-G149 CarbonylContact O-C 3.51Å; H146-G149 WeakPolarHBondContact O-CA 3.43Å; H146-G149 PolarHBondContact O-N 3.38Å; G149-R152 PolarHBondContact O-N 3.4Å; G149-T153 WeakPolarHBondContact O-CB 3.46Å; G149-T153 PolarHBondContact O-N 3.14Å; G149-T153 PolarHBondContact O-OG1 2.77Å |
| 150 | D | 93.8 | Very high | 93.4 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 9% | 0.086 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -53.5 | 176.5 | -58.4 | -8 | 0 | 0 | 0 | 109.3 | H146 L147 R152 T153 M154 T218 L219 P304 | H146-D150 PolarHBondContact O-N 3.42Å; H146-D150 VanDerWaalsContact O-OD1 3.06Å; L147-D150 PolarHBondContact O-N 2.97Å; D150-R152 VanDerWaalsContact C-N 3.33Å; D150-R152 PolarHBondContact O-N 2.81Å; D150-T153 WeakPolarHBondContact O-CB 3.41Å; D150-T153 PolarHBondContact O-N 3Å; D150-M154 WeakPolarHBondContact O-CG 3.23Å; D150-M154 PolarHBondContact O-N 3.46Å; D150-T218 WeakPolarHBondContact OD2-CA 3.36Å; D150-T218 WeakPolarHBondContact OD2-CB 3.39Å; D150-L219 HydrophobicContact CB-CD1 3.64Å; D150-L219 HydrophobicContact CB-CG 3.87Å; D150-L219 PolarHBondContact OD2-N 2.95Å; D150-P304 HydrophobicContact CB-CB 4.48Å; D150-P304 HydrophobicContact CB-CG 4.09Å |
| 151 | L | 93.9 | Very high | 93.4 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.01 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.8 | -38.5 | 176.4 | -73.7 | 167.3 | 0 | 0 | 0 | 113.5 | I134 L147 T153 M154 M155 F188 F259 | I134-L151 HydrophobicContact CD1-CB 4.37Å; L147-L151 HydrophobicContact CD1-CD1 4.3Å; L147-L151 HydrophobicContact CG-CD1 4.18Å; L147-L151 WeakPolarHBondContact O-CB 3.42Å; L147-L151 WeakPolarHBondContact O-CG 3.43Å; L147-L151 PolarHBondContact O-N 2.97Å; L151-T153 VanDerWaalsContact C-N 3.31Å; L151-M154 HydrophobicContact CD2-CE 3.8Å; L151-M154 HydrophobicContact CG-CE 4.38Å; L151-M155 HydrophobicContact CB-CE 4.31Å; L151-M155 HydrophobicContact CD2-CE 4.32Å; L151-M155 WeakPolarHBondContact O-CB 3.4Å; L151-M155 PolarHBondContact O-N 2.84Å; L151-M155 VanDerWaalsContact O-N 3.09Å; L151-F188 HydrophobicContact CD1-CE2 4.32Å; L151-F188 HydrophobicContact CD1-CZ 3.68Å; L151-F259 HydrophobicContact CD2-CE1 4.12Å |
| 152 | R | 93.8 | Very high | 93.4 | Very high | 69 Ų | 69 | 45.4 Ų | 45.4 | 26% | 0.26 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -69.1 | -28.7 | 175 | -74.4 | 166.9 | 177.3 | -169.3 | -3.9 | 113 | I134 M148 G149 D150 S158 | I134-R152 HydrophobicContact CB-CG 4.14Å; I134-R152 HydrophobicContact CD1-CG 3.93Å; I134-R152 HydrophobicContact CG2-CG 4.24Å; I134-R152 PolarHBondContact O-NE 2.96Å; I134-R152 PolarHBondContact O-NH2 2.87Å; M148-R152 WeakPolarHBondContact O-CB 3.48Å; M148-R152 VanDerWaalsContact O-CD 3.3Å; M148-R152 WeakPolarHBondContact O-CD 3.44Å; M148-R152 WeakPolarHBondContact O-CG 3.33Å; M148-R152 PolarHBondContact O-N 3.02Å; G149-R152 PolarHBondContact O-N 3.4Å; D150-R152 VanDerWaalsContact C-N 3.33Å; D150-R152 PolarHBondContact O-N 2.81Å; R152-S158 WeakPolarHBondContact CA-OG 3.41Å; R152-S158 PolarHBondContact O-OG 3.17Å |
| 153 | T | 91.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 44 Ų | 44 | 40% | 0.399 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -80.4 | -38 | -179.8 | -54.7 | 0 | 0 | 0 | 0 | 111.2 | G149 D150 L151 K230 | G149-T153 WeakPolarHBondContact O-CB 3.46Å; G149-T153 PolarHBondContact O-N 3.14Å; G149-T153 PolarHBondContact O-OG1 2.77Å; D150-T153 WeakPolarHBondContact O-CB 3.41Å; D150-T153 PolarHBondContact O-N 3Å; L151-T153 VanDerWaalsContact C-N 3.31Å; T153-K230 HydrophobicContact CG2-CD 3.97Å; T153-K230 HydrophobicContact CG2-CG 4.01Å |
| 154 | M | 90.1 | Very high | 93.5 | Very high | 7 Ų | 7 | 39.2 Ų | 39.2 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -75.1 | -33.4 | 177.4 | -62.6 | -175.4 | -55.4 | 0 | 0 | 113.4 | D150 L151 P156 Y276 P304 | D150-M154 WeakPolarHBondContact O-CG 3.23Å; D150-M154 PolarHBondContact O-N 3.46Å; L151-M154 HydrophobicContact CD2-CE 3.8Å; L151-M154 HydrophobicContact CG-CE 4.38Å; M154-P156 WeakPolarHBondContact O-CD 3.44Å; M154-Y276 WeakPolarHBondContact CB-OH 3.39Å; M154-Y276 HydrophobicContact SD-CE1 4.22Å; M154-P304 HydrophobicContact CE-CG 3.72Å; M154-P304 WeakPolarHBondContact SD-CD 3.49Å; M154-P304 HydrophobicContact SD-CG 4.45Å |
| 155 | M | 91.8 | Very high | 93.3 | Very high | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | trans | -101.1 | 99.4 | -177 | -64.1 | -169.8 | -59.4 | 0 | 0 | 111.8 | I134 L151 H157 S158 L186 F259 | I134-M155 HydrophobicContact CD1-CE 3.53Å; L151-M155 HydrophobicContact CB-CE 4.31Å; L151-M155 HydrophobicContact CD2-CE 4.32Å; L151-M155 WeakPolarHBondContact O-CB 3.4Å; L151-M155 PolarHBondContact O-N 2.84Å; L151-M155 VanDerWaalsContact O-N 3.09Å; M155-H157 VanDerWaalsContact C-N 3.27Å; M155-H157 PolarHBondContact O-N 3.37Å; M155-S158 WeakPolarHBondContact O-CB 3.41Å; M155-S158 PolarHBondContact O-N 3.48Å; M155-S158 PolarHBondContact O-OG 3Å; M155-L186 HydrophobicContact CE-CD1 3.65Å; M155-F259 HydrophobicContact CE-CD1 4.46Å; M155-F259 HydrophobicContact SD-CD1 3.68Å; M155-F259 HydrophobicContact SD-CE1 4.32Å; M155-F259 HydrophobicContact SD-CG 4.45Å | ||
| 156 | P | 92 | Very high | 92.9 | Very high | 16 Ų | 16 | 42.1 Ų | 42.1 | 10% | 0.104 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -25.7 | -174.4 | 25.6 | -35.9 | 0 | 0 | 0 | 114.1 | M154 S158 T261 H265 K267 | M154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-S158 VanDerWaalsContact C-N 3.26Å; P156-T261 HydrophobicContact CG-CG2 3.88Å; P156-H265 PolarHBondContact O-CE1 2.61Å; P156-K267 HydrophobicContact CB-CB 3.92Å |
| 157 | H | 92.7 | Very high | 92.4 | Very high | 3 Ų | 3 | 48.3 Ų | 48.3 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | 5.2 | 175.2 | 61.9 | -53.8 | 0 | 0 | 0 | 113.5 | V132 M155 T258 S260 P262 | V132-H157 PolarHBondContact N-O 2.6Å; V132-H157 VanDerWaalsContact N-O 3.14Å; M155-H157 VanDerWaalsContact C-N 3.27Å; M155-H157 PolarHBondContact O-N 3.37Å; H157-T258 PolarHBondContact NE2-O 2.89Å; H157-S260 PolarHBondContact CE1-O 3.2Å; H157-S260 PolarHBondContact NE2-O 2.87Å; H157-P262 HydrophobicContact CB-CG 4.1Å |
| 158 | S | 94.5 | Very high | 92 | Very high | 22 Ų | 22 | 51.4 Ų | 51.4 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 144.5 | 175.5 | 72.9 | 0 | 0 | 0 | 0 | 112.7 | V132 I134 R152 M155 P156 | V132-S158 CarbonylContact O-C 3.58Å; V132-S158 VanDerWaalsContact O-CA 3.27Å; V132-S158 WeakPolarHBondContact O-CA 3.31Å; I134-S158 VanDerWaalsContact CD1-CB 3.43Å; R152-S158 WeakPolarHBondContact CA-OG 3.41Å; R152-S158 PolarHBondContact O-OG 3.17Å; M155-S158 WeakPolarHBondContact O-CB 3.41Å; M155-S158 PolarHBondContact O-N 3.48Å; M155-S158 PolarHBondContact O-OG 3Å; P156-S158 VanDerWaalsContact C-N 3.26Å |
| 159 | K | 94.3 | Very high | 91.7 | Very high | 68 Ų | 68 | 58.8 Ų | 58.8 | 30% | 0.296 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 131.3 | 169.4 | -63.7 | -167 | -170 | 173 | 0 | 109.9 | V132 L133 I134 K180 | V132-K159 PolarHBondContact O-N 3.45Å; L133-K159 HydrophobicContact CD1-CB 4.39Å; I134-K159 PolarHBondContact N-O 3.49Å; K159-K180 PolarHBondContact NZ-O 3.39Å |
| 160 | A | 94.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 59.8 Ų | 59.8 | 49% | 0.488 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 141.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 161 | D | 94.4 | Very high | 91 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 18% | 0.182 | 32% | 0.319 | C | S | . | . | trans | -131.1 | 175.8 | 165.1 | -164.3 | 58 | 0 | 0 | 0 | 112.3 | L133 F135 K180 | L133-D161 HydrophobicContact CD1-CB 3.99Å; F135-D161 HydrophobicContact CB-CB 4.23Å; D161-K180 WeakPolarHBondContact OD1-CE 3.19Å; D161-K180 IonicContact OD1-NZ 3.42Å; D161-K180 PolarHBondContact OD1-NZ 2.92Å | ||
| 162 | T | 93.1 | Very high | 90.9 | Very high | 101 Ų | 101 | 67.7 Ų | 67.7 | 62% | 0.62 | 33% | 0.332 | S | S | * | . | trans | -64.3 | 172.6 | 178 | 70.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 163 | K | 93.9 | Very high | 90.9 | Very high | 98 Ų | 98 | 64.4 Ų | 64.4 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | trans | -96.2 | 105.3 | -176.2 | -66 | 176.3 | -174.2 | 154.6 | 0 | 111.2 | S136 R138 | S136-K163 VanDerWaalsContact O-CA 3.24Å; S136-K163 WeakPolarHBondContact O-CA 3.2Å; R138-K163 HydrophobicContact CG-CB 3.97Å; R138-K163 PolarHBondContact NE-O 2.99Å; R138-K163 VanDerWaalsContact NE-O 3.14Å | ||
| 164 | M | 92.6 | Very high | 91 | Very high | 22 Ų | 22 | 62 Ų | 62 | 11% | 0.108 | 31% | 0.305 | C | S | . | . | trans | -54 | 141.3 | 174.2 | -167.8 | -178.8 | 90.7 | 0 | 0 | 111.5 | F135 S136 S137 R138 D168 L170 V173 F187 | F135-M164 HydrophobicContact CD2-CB 4.33Å; F135-M164 HydrophobicContact CE2-CB 3.88Å; F135-M164 HydrophobicContact CE2-SD 4.19Å; S136-M164 PolarHBondContact O-N 3.1Å; S137-M164 WeakPolarHBondContact CA-O 3.46Å; R138-M164 PolarHBondContact N-O 3.19Å; M164-D168 HydrophobicContact CE-CB 4.36Å; M164-D168 HydrophobicContact CG-CB 3.86Å; M164-D168 WeakPolarHBondContact CG-OD2 3.5Å; M164-D168 HydrophobicContact SD-CB 4.25Å; M164-L170 HydrophobicContact CE-CD2 4.21Å; M164-V173 HydrophobicContact CE-CG2 4.42Å; M164-V173 HydrophobicContact SD-CG2 3.74Å; M164-F187 HydrophobicContact CE-CE1 4.24Å; M164-F187 HydrophobicContact CE-CE2 4Å; M164-F187 HydrophobicContact CE-CZ 3.51Å | ||
| 165 | D | 90.4 | Very high | 91.1 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 29% | 0.289 | 32% | 0.323 | S | S | . | . | trans | -72.7 | 163.7 | 179.4 | -106.1 | -48.4 | 0 | 0 | 0 | 111.7 | R138 K167 D168 | R138-D165 VanDerWaalsContact CD-OD1 3.29Å; R138-D165 WeakPolarHBondContact CD-OD1 3.45Å; R138-D165 IonicContact CZ-OD1 3.91Å; R138-D165 IonicContact CZ-OD2 3.84Å; R138-D165 IonicContact NE-OD1 3.25Å; R138-D165 PolarHBondContact NE-OD1 2.78Å; R138-D165 IonicContact NE-OD2 3.74Å; R138-D165 IonicContact NH1-OD1 2.69Å; R138-D165 PolarHBondContact NH1-OD1 3.23Å; R138-D165 IonicContact NH1-OD2 3.53Å; R138-D165 PolarHBondContact NH1-OD2 3.02Å; R138-D165 IonicContact NH2-OD1 3.75Å; R138-D165 IonicContact NH2-OD2 2.74Å; R138-D165 PolarHBondContact NH2-OD2 2.9Å; D165-K167 VanDerWaalsContact C-N 3.28Å; D165-D168 WeakPolarHBondContact CA-OD2 3.39Å; D165-D168 WeakPolarHBondContact CB-OD1 3.4Å; D165-D168 VanDerWaalsContact CB-OD2 3.27Å; D165-D168 WeakPolarHBondContact CB-OD2 3.44Å; D165-D168 PolarHBondContact N-OD2 2.91Å | ||
| 166 | R | 84.3 | Confident | 91.1 | Very high | 136 Ų | 136 | 67.4 Ų | 67.4 | 51% | 0.513 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -80 | -11.1 | 179.7 | -69.5 | -178.8 | 173.7 | -170.9 | -6.9 | 114 | R138 A190 | R138-R166 VanDerWaalsContact O-CZ 3.29Å; R138-R166 PolarHBondContact O-NE 3.32Å; R138-R166 PolarHBondContact O-NH2 3.36Å; R166-A190 PolarHBondContact NH2-O 3.4Å |
| 167 | K | 84.1 | Confident | 91.2 | Very high | 200 Ų | 200 | 66.7 Ų | 66.7 | 87% | 0.87 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -91.2 | -21.1 | 179.9 | -63.3 | -176.5 | 178.4 | -176.9 | 0 | 111.8 | D165 | D165-K167 VanDerWaalsContact C-N 3.28Š|
| 168 | D | 86.3 | Confident | 91.3 | Very high | 67 Ų | 67 | 74.1 Ų | 74.1 | 36% | 0.358 | 36% | 0.362 | S | S | . | . | S | Bend | trans | -70.3 | 141.9 | -172.3 | -48.5 | -13.7 | 0 | 0 | 0 | 110.1 | M164 D165 | M164-D168 HydrophobicContact CE-CB 4.36Å; M164-D168 HydrophobicContact CG-CB 3.86Å; M164-D168 WeakPolarHBondContact CG-OD2 3.5Å; M164-D168 HydrophobicContact SD-CB 4.25Å; D165-D168 WeakPolarHBondContact CA-OD2 3.39Å; D165-D168 WeakPolarHBondContact CB-OD1 3.4Å; D165-D168 VanDerWaalsContact CB-OD2 3.27Å; D165-D168 WeakPolarHBondContact CB-OD2 3.44Å; D165-D168 PolarHBondContact N-OD2 2.91Å |
| 169 | K | 88.2 | Confident | 91.3 | Very high | 170 Ų | 170 | 79.8 Ų | 79.8 | 74% | 0.739 | 39% | 0.389 | S | S | * | . | trans | -73.4 | 145.6 | 175.8 | -63.6 | 178 | -177 | 175.2 | 0 | 109.1 | F171 V172 | K169-F171 PolarHBondContact O-N 3.3Å; K169-V172 WeakPolarHBondContact O-CB 3.2Å; K169-V172 WeakPolarHBondContact O-CG2 3.47Å; K169-V172 PolarHBondContact O-N 3.19Å; K169-V172 VanDerWaalsContact O-N 3.13Å | ||
| 170 | L | 88.1 | Confident | 91.2 | Very high | 47 Ų | 47 | 80.2 Ų | 80.2 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -14.9 | 179.8 | -56.1 | 175.8 | 0 | 0 | 0 | 113.6 | M164 V172 V173 F187 W199 F318 | M164-L170 HydrophobicContact CE-CD2 4.21Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 3.16Å; L170-V173 VanDerWaalsContact O-CB 3.28Å; L170-V173 WeakPolarHBondContact O-CB 3.35Å; L170-V173 VanDerWaalsContact O-CG2 3.26Å; L170-V173 WeakPolarHBondContact O-CG2 3.34Å; L170-V173 PolarHBondContact O-N 2.92Å; L170-F187 HydrophobicContact CD2-CD1 4.48Å; L170-F187 HydrophobicContact CD2-CE1 3.78Å; L170-F187 HydrophobicContact CD2-CZ 4.49Å; L170-W199 HydrophobicContact CD1-CH2 3.92Å; L170-W199 HydrophobicContact CD1-CZ2 3.49Å; L170-W199 VanDerWaalsContact CD1-CZ2 3.49Å; L170-F318 HydrophobicContact CB-CB 3.88Å; L170-F318 HydrophobicContact CB-CD1 4.29Å; L170-F318 HydrophobicContact CB-CG 4.42Å |
| 171 | F | 87.3 | Confident | 91.1 | Very high | 135 Ų | 135 | 82 Ų | 82 | 59% | 0.592 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -32.4 | 174.3 | -168.4 | -96.2 | 0 | 0 | 0 | 113.1 | K169 V173 N174 | K169-F171 PolarHBondContact O-N 3.3Å; F171-V173 PolarHBondContact O-N 2.85Å; F171-N174 WeakPolarHBondContact O-CB 3.33Å; F171-N174 PolarHBondContact O-N 3.46Å |
| 172 | V | 91.6 | Very high | 91 | Very high | 48 Ų | 48 | 80.7 Ų | 80.7 | 29% | 0.291 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -57.6 | -24.4 | 176.7 | -179 | 0 | 0 | 0 | 0 | 111.5 | K169 L170 N174 E175 V176 | K169-V172 WeakPolarHBondContact O-CB 3.2Å; K169-V172 WeakPolarHBondContact O-CG2 3.47Å; K169-V172 PolarHBondContact O-N 3.19Å; K169-V172 VanDerWaalsContact O-N 3.13Å; L170-V172 VanDerWaalsContact C-N 3.29Å; L170-V172 PolarHBondContact O-N 3.16Å; V172-N174 VanDerWaalsContact C-N 3.27Å; V172-N174 PolarHBondContact O-N 2.9Å; V172-E175 PolarHBondContact O-N 3.06Å; V172-V176 HydrophobicContact CG1-CG2 4.38Å; V172-V176 WeakPolarHBondContact O-CG2 2.99Å; V172-V176 PolarHBondContact O-N 3.45Å |
| 173 | V | 92.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 78.7 Ų | 78.7 | 0% | 0 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -33.8 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | F135 M164 L170 F171 V176 C177 C185 F318 | F135-V173 HydrophobicContact CE1-CG1 3.68Å; F135-V173 HydrophobicContact CE2-CG2 4.44Å; F135-V173 HydrophobicContact CZ-CB 4.14Å; F135-V173 HydrophobicContact CZ-CG1 3.52Å; F135-V173 HydrophobicContact CZ-CG2 3.7Å; M164-V173 HydrophobicContact CE-CG2 4.42Å; M164-V173 HydrophobicContact SD-CG2 3.74Å; L170-V173 VanDerWaalsContact O-CB 3.28Å; L170-V173 WeakPolarHBondContact O-CB 3.35Å; L170-V173 VanDerWaalsContact O-CG2 3.26Å; L170-V173 WeakPolarHBondContact O-CG2 3.34Å; L170-V173 PolarHBondContact O-N 2.92Å; F171-V173 PolarHBondContact O-N 2.85Å; V173-V176 PolarHBondContact O-N 3.44Å; V173-C177 PolarHBondContact O-N 2.82Å; V173-C177 PolarHBondContact O-SG 3.27Å; V173-C185 VanDerWaalsContact CG1-SG 3.57Å; V173-F318 HydrophobicContact CB-CD2 3.99Å; V173-F318 HydrophobicContact CB-CE2 4Å; V173-F318 HydrophobicContact CB-CG 4.39Å; V173-F318 HydrophobicContact CB-CZ 4.38Å; V173-F318 HydrophobicContact CG1-CD2 3.89Å; V173-F318 HydrophobicContact CG1-CE1 4.35Å; V173-F318 HydrophobicContact CG1-CE2 3.38Å; V173-F318 HydrophobicContact CG1-CZ 3.66Å |
| 174 | N | 93.1 | Very high | 91.1 | Very high | 16 Ų | 16 | 74.8 Ų | 74.8 | 9% | 0.086 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -68 | -45.5 | 178 | -63.5 | -33 | 0 | 0 | 0 | 110.6 | F171 V172 V176 C177 E178 S317 | F171-N174 WeakPolarHBondContact O-CB 3.33Å; F171-N174 PolarHBondContact O-N 3.46Å; V172-N174 VanDerWaalsContact C-N 3.27Å; V172-N174 PolarHBondContact O-N 2.9Å; N174-V176 PolarHBondContact O-N 3.5Å; N174-C177 WeakPolarHBondContact O-CB 3.26Å; N174-C177 PolarHBondContact O-N 3.43Å; N174-C177 VanDerWaalsContact O-N 3.1Å; N174-E178 PolarHBondContact O-N 2.94Å; N174-S317 PolarHBondContact ND2-O 2.82Å; N174-S317 VanDerWaalsContact OD1-CB 3.27Å; N174-S317 WeakPolarHBondContact OD1-CB 2.99Å; N174-S317 PolarHBondContact OD1-OG 3.26Å |
| 175 | E | 92.4 | Very high | 91.3 | Very high | 88 Ų | 88 | 73.7 Ų | 73.7 | 41% | 0.411 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | 174.9 | -60.2 | 162.1 | -156.8 | 0 | 0 | 111.4 | V172 C177 E178 I179 | V172-E175 PolarHBondContact O-N 3.06Å; E175-C177 VanDerWaalsContact C-N 3.33Å; E175-C177 PolarHBondContact O-N 3.19Å; E175-E178 PolarHBondContact O-N 3.13Å; E175-I179 VanDerWaalsContact O-CG1 3.3Å; E175-I179 WeakPolarHBondContact O-CG1 3.27Å; E175-I179 PolarHBondContact O-N 3.48Å |
| 176 | V | 93.4 | Very high | 91.5 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 19% | 0.188 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -64.5 | -37 | 176.1 | 177.2 | 0 | 0 | 0 | 0 | 111.6 | L133 V172 V173 N174 K180 | L133-V176 HydrophobicContact CD2-CB 4.49Å; L133-V176 HydrophobicContact CD2-CG1 3.8Å; V172-V176 HydrophobicContact CG1-CG2 4.38Å; V172-V176 WeakPolarHBondContact O-CG2 2.99Å; V172-V176 PolarHBondContact O-N 3.45Å; V173-V176 PolarHBondContact O-N 3.44Å; N174-V176 PolarHBondContact O-N 3.5Å; V176-K180 HydrophobicContact CG1-CG 4.42Å; V176-K180 WeakPolarHBondContact O-CB 3.21Å; V176-K180 VanDerWaalsContact O-CG 3.26Å; V176-K180 WeakPolarHBondContact O-CG 3.39Å; V176-K180 PolarHBondContact O-N 3.14Å |
| 177 | C | 94.1 | Very high | 92.1 | Very high | 2 Ų | 2 | 64.8 Ų | 64.8 | 1% | 0.014 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -65.4 | -38.8 | 174.9 | -68.8 | 0 | 0 | 0 | 0 | 112.1 | L133 V173 N174 E175 K180 N181 C182 C203 | L133-C177 VanDerWaalsContact CD2-SG 3.5Å; V173-C177 PolarHBondContact O-N 2.82Å; V173-C177 PolarHBondContact O-SG 3.27Å; N174-C177 WeakPolarHBondContact O-CB 3.26Å; N174-C177 PolarHBondContact O-N 3.43Å; N174-C177 VanDerWaalsContact O-N 3.1Å; E175-C177 VanDerWaalsContact C-N 3.33Å; E175-C177 PolarHBondContact O-N 3.19Å; C177-K180 CarbonylContact O-C 3.58Å; C177-N181 WeakPolarHBondContact O-CA 3.45Å; C177-N181 PolarHBondContact O-N 3.23Å; C177-C182 HydrophobicContact CB-CB 4.41Å; C177-C182 PolarHBondContact O-N 3.27Å; C177-C203 HydrophobicContact CB-CB 3.86Å |
| 178 | E | 93.1 | Very high | 92.7 | Very high | 158 Ų | 158 | 55.2 Ų | 55.2 | 74% | 0.738 | 27% | 0.27 | S | S | * | . | H | α-helix | trans | -66.1 | -51.1 | 176.7 | -171.8 | 172.3 | -176.5 | 0 | 0 | 111.6 | N174 E175 K180 N181 | N174-E178 PolarHBondContact O-N 2.94Å; E175-E178 PolarHBondContact O-N 3.13Å; E178-K180 PolarHBondContact O-N 3.09Å; E178-N181 WeakPolarHBondContact O-CA 3.42Å; E178-N181 PolarHBondContact O-N 3.04Å |
| 179 | I | 94.3 | Very high | 93 | Very high | 141 Ų | 141 | 53.4 Ų | 53.4 | 72% | 0.723 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -57 | -37.8 | 176.2 | -66.4 | 163.6 | 0 | 0 | 0 | 111.6 | E175 N181 | E175-I179 VanDerWaalsContact O-CG1 3.3Å; E175-I179 WeakPolarHBondContact O-CG1 3.27Å; E175-I179 PolarHBondContact O-N 3.48Å; I179-N181 VanDerWaalsContact C-N 3.33Å |
| 180 | K | 92.3 | Very high | 93.3 | Very high | 78 Ų | 78 | 45.7 Ų | 45.7 | 34% | 0.339 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -5.3 | 176.6 | -62.3 | -60.5 | -174.8 | 178.2 | 0 | 113.5 | L133 K159 D161 V176 C177 E178 | L133-K180 HydrophobicContact CD1-CB 4.2Å; L133-K180 HydrophobicContact CD1-CG 4.03Å; K159-K180 PolarHBondContact NZ-O 3.39Å; D161-K180 WeakPolarHBondContact OD1-CE 3.19Å; D161-K180 IonicContact OD1-NZ 3.42Å; D161-K180 PolarHBondContact OD1-NZ 2.92Å; V176-K180 HydrophobicContact CG1-CG 4.42Å; V176-K180 WeakPolarHBondContact O-CB 3.21Å; V176-K180 VanDerWaalsContact O-CG 3.26Å; V176-K180 WeakPolarHBondContact O-CG 3.39Å; V176-K180 PolarHBondContact O-N 3.14Å; C177-K180 CarbonylContact O-C 3.58Å; E178-K180 PolarHBondContact O-N 3.09Å |
| 181 | N | 93.4 | Very high | 93.4 | Very high | 95 Ų | 95 | 47.8 Ų | 47.8 | 51% | 0.508 | 24% | 0.235 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 46.9 | 68.3 | -171.8 | -175.9 | -12.5 | 0 | 0 | 0 | 110.6 | R131 C177 E178 I179 | R131-N181 WeakPolarHBondContact CD-O 3.34Å; R131-N181 PolarHBondContact NH1-ND2 3.05Å; R131-N181 PolarHBondContact NH1-O 2.88Å; R131-N181 VanDerWaalsContact NH1-O 3.14Å; R131-N181 PolarHBondContact NH1-OD1 3.25Å; C177-N181 WeakPolarHBondContact O-CA 3.45Å; C177-N181 PolarHBondContact O-N 3.23Å; E178-N181 WeakPolarHBondContact O-CA 3.42Å; E178-N181 PolarHBondContact O-N 3.04Å; I179-N181 VanDerWaalsContact C-N 3.33Å |
| 182 | C | 93.4 | Very high | 93.5 | Very high | 7 Ų | 7 | 47.8 Ų | 47.8 | 5% | 0.047 | 23% | 0.234 | C | C | . | . | trans | -126.1 | 120 | -179 | -79.7 | 0 | 0 | 0 | 0 | 110.8 | L133 C177 K184 | L133-C182 HydrophobicContact CB-CB 3.99Å; C177-C182 HydrophobicContact CB-CB 4.41Å; C177-C182 PolarHBondContact O-N 3.27Å; C182-K184 VanDerWaalsContact C-N 3.33Å | ||
| 183 | N | 93.4 | Very high | 93.3 | Very high | 60 Ų | 60 | 52.5 Ų | 52.5 | 32% | 0.321 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -78.6 | -21.8 | -178.2 | -47.1 | -7.8 | 0 | 0 | 0 | 112.1 | K129 R131 C203 | K129-N183 PolarHBondContact O-ND2 2.82Å; R131-N183 PolarHBondContact O-N 3.44Å; N183-C203 PolarHBondContact O-N 3.04Å |
| 184 | K | 95 | Very high | 93.1 | Very high | 15 Ų | 15 | 58.9 Ų | 58.9 | 7% | 0.065 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 150.5 | -172.8 | -55.6 | -59.7 | -168 | -136.6 | 0 | 110.5 | R131 V132 L133 C182 S201 N202 Q257 | R131-K184 PolarHBondContact O-N 2.73Å; R131-K184 VanDerWaalsContact O-N 3.14Å; V132-K184 WeakPolarHBondContact CA-O 3.3Å; V132-K184 HydrophobicContact CB-CB 4.32Å; V132-K184 HydrophobicContact CG1-CB 4.39Å; V132-K184 HydrophobicContact CG2-CB 3.88Å; V132-K184 HydrophobicContact CG2-CG 4.36Å; L133-K184 PolarHBondContact N-O 2.77Å; C182-K184 VanDerWaalsContact C-N 3.33Å; K184-S201 CarbonylContact C-O 3.37Å; K184-S201 WeakPolarHBondContact CA-O 3.42Å; K184-N202 WeakPolarHBondContact CD-OD1 3.25Å; K184-N202 WeakPolarHBondContact CE-OD1 3.4Å; K184-N202 PolarHBondContact NZ-ND2 3.33Å; K184-N202 PolarHBondContact NZ-OD1 3.13Å; K184-Q257 VanDerWaalsContact CE-O 3.26Å; K184-Q257 WeakPolarHBondContact CE-O 3.29Å |
| 185 | C | 95.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 130.2 | 179.4 | -179.6 | 0 | 0 | 0 | 0 | 113 | V173 I200 S201 F318 | V173-C185 VanDerWaalsContact CG1-SG 3.57Å; C185-I200 WeakPolarHBondContact O-CA 3.43Å; C185-S201 PolarHBondContact N-O 3.06Å; C185-S201 PolarHBondContact O-N 3.09Å; C185-F318 HydrophobicContact CB-CE2 4.04Å; C185-F318 HydrophobicContact CB-CZ 4.2Å; C185-F318 VanDerWaalsContact SG-CZ 3.59Å |
| 186 | L | 96.5 | Very high | 93.2 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 104.9 | 166.5 | -70 | 178.3 | 0 | 0 | 0 | 109.4 | V132 L133 I134 F135 M155 M198 W199 I200 T258 | V132-L186 HydrophobicContact CG1-CB 4.37Å; V132-L186 HydrophobicContact CG1-CD1 3.86Å; V132-L186 HydrophobicContact CG1-CG 3.81Å; L133-L186 PolarHBondContact O-N 3.45Å; I134-L186 WeakPolarHBondContact CA-O 3.46Å; I134-L186 HydrophobicContact CD1-CD1 4.28Å; I134-L186 HydrophobicContact CG1-CB 4.27Å; I134-L186 HydrophobicContact CG1-CD1 4.21Å; I134-L186 HydrophobicContact CG2-CB 4.47Å; F135-L186 PolarHBondContact N-O 2.96Å; M155-L186 HydrophobicContact CE-CD1 3.65Å; L186-M198 HydrophobicContact CD2-SD 4.37Å; L186-W199 WeakPolarHBondContact CA-O 3.37Å; L186-I200 HydrophobicContact CD2-CB 4.09Å; L186-I200 HydrophobicContact CD2-CD1 3.71Å; L186-I200 HydrophobicContact CD2-CG1 3.54Å; L186-I200 HydrophobicContact CD2-CG2 3.9Å; L186-T258 HydrophobicContact CD1-CG2 3.98Å; L186-T258 HydrophobicContact CD2-CG2 3.86Å; L186-T258 HydrophobicContact CG-CG2 3.89Å |
| 187 | F | 96 | Very high | 93.4 | Very high | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.009 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 123.1 | -178.4 | 171.4 | -116.7 | 0 | 0 | 0 | 112.4 | F135 M164 L170 E189 M198 W199 F318 | F135-F187 HydrophobicContact CD1-CD2 4.36Å; F135-F187 AromaticContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CD2 3.86Å; F135-F187 HydrophobicContact CD2-CE2 4.15Å; F135-F187 HydrophobicContact CE1-CB 3.97Å; F135-F187 AromaticContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CD2 3.88Å; F135-F187 HydrophobicContact CE1-CG 4.29Å; F135-F187 AromaticContact CE2-CD2 3.29Å; F135-F187 HydrophobicContact CE2-CD2 3.29Å; F135-F187 AromaticContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CE2 3.53Å; F135-F187 HydrophobicContact CE2-CG 4.31Å; F135-F187 HydrophobicContact CG-CD2 4.34Å; F135-F187 HydrophobicContact CZ-CB 4.06Å; F135-F187 AromaticContact CZ-CD2 3.28Å; F135-F187 HydrophobicContact CZ-CD2 3.28Å; F135-F187 AromaticContact CZ-CE2 3.93Å; F135-F187 HydrophobicContact CZ-CE2 3.93Å; F135-F187 AromaticContact CZ-CG 3.88Å; F135-F187 HydrophobicContact CZ-CG 3.88Å; M164-F187 HydrophobicContact CE-CE1 4.24Å; M164-F187 HydrophobicContact CE-CE2 4Å; M164-F187 HydrophobicContact CE-CZ 3.51Å; L170-F187 HydrophobicContact CD2-CD1 4.48Å; L170-F187 HydrophobicContact CD2-CE1 3.78Å; L170-F187 HydrophobicContact CD2-CZ 4.49Å; F187-E189 HydrophobicContact CD1-CB 4.42Å; F187-E189 HydrophobicContact CE1-CB 3.85Å; F187-E189 HydrophobicContact CE1-CG 4.49Å; F187-E189 HydrophobicContact CZ-CB 4.36Å; F187-M198 WeakPolarHBondContact O-CA 3.28Å; F187-W199 HydrophobicContact CB-CB 4.26Å; F187-W199 HydrophobicContact CD1-CB 4.42Å; F187-W199 AromaticContact CD1-CD1 3.65Å; F187-W199 HydrophobicContact CD1-CG 4.21Å; F187-W199 PolarHBondContact N-O 2.84Å; F187-W199 PolarHBondContact O-N 3.43Å; F187-F318 HydrophobicContact CB-CE1 3.94Å; F187-F318 HydrophobicContact CB-CZ 3.96Å; F187-F318 HydrophobicContact CD1-CE1 4.01Å; F187-F318 HydrophobicContact CG-CE1 4.35Å |
| 188 | F | 96.1 | Very high | 93.5 | Very high | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 105.4 | 178.9 | -68.9 | -74.5 | 0 | 0 | 0 | 112.7 | I134 F135 S136 S137 L147 M148 L151 L196 M198 | I134-F188 HydrophobicContact CG2-CD2 4.5Å; I134-F188 HydrophobicContact CG2-CE2 3.95Å; F135-F188 PolarHBondContact O-N 3Å; S136-F188 WeakPolarHBondContact CA-O 3.39Å; S137-F188 PolarHBondContact N-O 2.69Å; S137-F188 PolarHBondContact OG-O 3.08Å; L147-F188 HydrophobicContact CD2-CE1 4.44Å; M148-F188 HydrophobicContact CB-CE2 4.38Å; M148-F188 HydrophobicContact CG-CD2 4.24Å; M148-F188 HydrophobicContact CG-CE2 4.2Å; L151-F188 HydrophobicContact CD1-CE2 4.32Å; L151-F188 HydrophobicContact CD1-CZ 3.68Å; F188-L196 HydrophobicContact CB-CD1 4.12Å; F188-L196 HydrophobicContact CD1-CD1 3.98Å; F188-L196 HydrophobicContact CD1-CD2 4.02Å; F188-L196 HydrophobicContact CD1-CG 4.27Å; F188-L196 HydrophobicContact CE1-CD2 4.37Å; F188-M198 HydrophobicContact CD1-CB 4.2Å; F188-M198 HydrophobicContact CD1-CG 4.11Å; F188-M198 HydrophobicContact CD1-SD 4.41Å; F188-M198 HydrophobicContact CE1-CB 4.13Å; F188-M198 HydrophobicContact CE1-CG 3.78Å; F188-M198 HydrophobicContact CE1-SD 3.51Å; F188-M198 VanDerWaalsContact CE1-SD 3.51Å; F188-M198 HydrophobicContact CZ-CG 4.3Å; F188-M198 HydrophobicContact CZ-SD 3.73Å |
| 189 | E | 93.9 | Very high | 93.6 | Very high | 29 Ų | 29 | 47 Ų | 47 | 14% | 0.136 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 107.8 | 177.8 | -178.4 | -171.7 | -174 | 0 | 0 | 110.5 | S137 F187 K191 Y197 W199 K210 | S137-E189 WeakPolarHBondContact OG-CA 3.46Å; F187-E189 HydrophobicContact CD1-CB 4.42Å; F187-E189 HydrophobicContact CE1-CB 3.85Å; F187-E189 HydrophobicContact CE1-CG 4.49Å; F187-E189 HydrophobicContact CZ-CB 4.36Å; E189-K191 VanDerWaalsContact CD-CE 3.42Å; E189-K191 WeakPolarHBondContact OE1-CE 3.47Å; E189-K191 IonicContact OE1-NZ 2.77Å; E189-K191 PolarHBondContact OE1-NZ 2.89Å; E189-Y197 PolarHBondContact N-O 3.12Å; E189-Y197 PolarHBondContact O-N 2.85Å; E189-W199 PolarHBondContact OE2-NE1 2.91Å; E189-K210 IonicContact OE1-NZ 3.46Å; E189-K210 WeakPolarHBondContact OE2-CE 3.28Å; E189-K210 IonicContact OE2-NZ 3.97Å; E189-K210 PolarHBondContact OE2-NZ 2.66Å |
| 190 | A | 93.4 | Very high | 93.7 | Very high | 8 Ų | 8 | 40.3 Ų | 40.3 | 7% | 0.066 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 109.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S137 I140 R166 D195 | S137-A190 PolarHBondContact OG-N 3.4Å; I140-A190 HydrophobicContact CB-CB 4.38Å; I140-A190 HydrophobicContact CG2-CB 3.76Å; R166-A190 PolarHBondContact NH2-O 3.4Å; A190-D195 WeakPolarHBondContact CA-O 3.42Å |
| 191 | K | 91.1 | Very high | 93.8 | Very high | 90 Ų | 90 | 36.6 Ų | 36.6 | 39% | 0.391 | 17% | 0.172 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 140.9 | 176.3 | -58.8 | -160.1 | -177.5 | -164.6 | 0 | 111.6 | E189 K193 Q194 D195 Y197 | E189-K191 VanDerWaalsContact CD-CE 3.42Å; E189-K191 WeakPolarHBondContact OE1-CE 3.47Å; E189-K191 IonicContact OE1-NZ 2.77Å; E189-K191 PolarHBondContact OE1-NZ 2.89Å; K191-K193 PolarHBondContact O-N 3.26Å; K191-Q194 PolarHBondContact O-N 2.85Å; K191-D195 HydrophobicContact CB-CB 4.43Å; K191-D195 PolarHBondContact N-O 3Å; K191-D195 PolarHBondContact O-N 3.48Å; K191-Y197 HydrophobicContact CB-CE2 4.12Å; K191-Y197 HydrophobicContact CD-CD2 4.38Å; K191-Y197 HydrophobicContact CD-CE2 4.02Å; K191-Y197 HydrophobicContact CG-CD2 4.07Å; K191-Y197 HydrophobicContact CG-CE2 3.93Å |
| 192 | K | 89.3 | Confident | 93.9 | Very high | 136 Ų | 136 | 33.4 Ų | 33.4 | 59% | 0.591 | 16% | 0.155 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 18.6 | 176.9 | -59.5 | -178.1 | 177.9 | 179.2 | 0 | 115.4 | Q194 N333 | K192-Q194 PolarHBondContact O-N 3.17Å; K192-N333 WeakPolarHBondContact CE-OD1 3.3Å; K192-N333 PolarHBondContact NZ-OD1 3.03Å |
| 193 | K | 87.2 | Confident | 93.8 | Very high | 146 Ų | 146 | 33.9 Ų | 33.9 | 64% | 0.635 | 16% | 0.158 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 58.4 | 15.6 | -172.1 | -52.8 | 179.8 | -179.4 | 178.3 | 0 | 114.2 | K191 | K191-K193 PolarHBondContact O-N 3.26Š|
| 194 | Q | 88.1 | Confident | 93.5 | Very high | 134 Ų | 134 | 35 Ų | 35 | 63% | 0.626 | 17% | 0.168 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -129 | -45.6 | -174.7 | -71.5 | -178.7 | -19.1 | 0 | 0 | 112 | K191 K192 | K191-Q194 PolarHBondContact O-N 2.85Å; K192-Q194 PolarHBondContact O-N 3.17Å |
| 195 | D | 93.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 42.1 Ų | 42.1 | 5% | 0.053 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 124.9 | -174.4 | -53.8 | -52 | 0 | 0 | 0 | 109.6 | A190 K191 Y197 P332 R336 | A190-D195 WeakPolarHBondContact CA-O 3.42Å; K191-D195 HydrophobicContact CB-CB 4.43Å; K191-D195 PolarHBondContact N-O 3Å; K191-D195 PolarHBondContact O-N 3.48Å; D195-Y197 HydrophobicContact CB-CE2 3.83Å; D195-P332 WeakPolarHBondContact OD1-CB 3.18Å; D195-R336 VanDerWaalsContact CG-NH1 3.33Å; D195-R336 IonicContact OD1-CZ 2.82Å; D195-R336 VanDerWaalsContact OD1-CZ 3.3Å; D195-R336 IonicContact OD1-NH1 2.66Å; D195-R336 PolarHBondContact OD1-NH1 2.95Å; D195-R336 VanDerWaalsContact OD1-NH1 3.1Å; D195-R336 IonicContact OD1-NH2 3.92Å; D195-R336 PolarHBondContact OD1-NH2 3.42Å; D195-R336 IonicContact OD2-CZ 2.84Å; D195-R336 IonicContact OD2-NH1 2.73Å; D195-R336 PolarHBondContact OD2-NH1 3.31Å; D195-R336 IonicContact OD2-NH2 3.04Å |
| 196 | L | 95.1 | Very high | 92.8 | Very high | 8 Ų | 8 | 42.7 Ų | 42.7 | 4% | 0.042 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 121.7 | 176 | -175.2 | 62.2 | 0 | 0 | 0 | 110.3 | T144 L147 F188 V213 I216 | T144-L196 HydrophobicContact CG2-CD1 3.67Å; T144-L196 HydrophobicContact CG2-CD2 3.63Å; T144-L196 HydrophobicContact CG2-CG 4.29Å; L147-L196 HydrophobicContact CD2-CD2 4.4Å; F188-L196 HydrophobicContact CB-CD1 4.12Å; F188-L196 HydrophobicContact CD1-CD1 3.98Å; F188-L196 HydrophobicContact CD1-CD2 4.02Å; F188-L196 HydrophobicContact CD1-CG 4.27Å; F188-L196 HydrophobicContact CE1-CD2 4.37Å; L196-V213 HydrophobicContact CB-CB 4.3Å; L196-V213 HydrophobicContact CD2-CB 3.99Å; L196-V213 HydrophobicContact CD2-CG1 4.29Å; L196-V213 HydrophobicContact CD2-CG2 4.15Å; L196-V213 HydrophobicContact CG-CB 4.14Å; L196-V213 HydrophobicContact CG-CG2 4.15Å; L196-V213 PolarHBondContact O-N 2.74Å; L196-I216 HydrophobicContact CD2-CD1 3.59Å |
| 197 | Y | 95.9 | Very high | 92.7 | Very high | 15 Ų | 15 | 44.1 Ų | 44.1 | 6% | 0.059 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 142.5 | 166.3 | -57.2 | -91.2 | 0 | 0 | 0 | 108.3 | E189 K191 D195 F211 L212 I311 | E189-Y197 PolarHBondContact N-O 3.12Å; E189-Y197 PolarHBondContact O-N 2.85Å; K191-Y197 HydrophobicContact CB-CE2 4.12Å; K191-Y197 HydrophobicContact CD-CD2 4.38Å; K191-Y197 HydrophobicContact CD-CE2 4.02Å; K191-Y197 HydrophobicContact CG-CD2 4.07Å; K191-Y197 HydrophobicContact CG-CE2 3.93Å; D195-Y197 HydrophobicContact CB-CE2 3.83Å; Y197-F211 CarbonylContact C-O 3.52Å; Y197-F211 WeakPolarHBondContact CA-O 3.41Å; Y197-L212 HydrophobicContact CD1-CB 4.38Å; Y197-L212 HydrophobicContact CD1-CD1 4.05Å; Y197-L212 HydrophobicContact CE1-CB 4.34Å; Y197-L212 HydrophobicContact CE1-CD1 3.64Å; Y197-L212 HydrophobicContact CE2-CD1 4.46Å; Y197-I311 HydrophobicContact CD1-CD1 3.47Å; Y197-I311 VanDerWaalsContact CD1-CD1 3.47Å; Y197-I311 HydrophobicContact CE1-CD1 3.58Å |
| 198 | M | 96.1 | Very high | 92.6 | Very high | 3 Ų | 3 | 44 Ų | 44 | 2% | 0.015 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 132.8 | 173.6 | -174.9 | 175.5 | 67.2 | 0 | 0 | 108.4 | L186 F187 F188 I200 F211 V213 L308 | L186-M198 HydrophobicContact CD2-SD 4.37Å; F187-M198 WeakPolarHBondContact O-CA 3.28Å; F188-M198 HydrophobicContact CD1-CB 4.2Å; F188-M198 HydrophobicContact CD1-CG 4.11Å; F188-M198 HydrophobicContact CD1-SD 4.41Å; F188-M198 HydrophobicContact CE1-CB 4.13Å; F188-M198 HydrophobicContact CE1-CG 3.78Å; F188-M198 HydrophobicContact CE1-SD 3.51Å; F188-M198 VanDerWaalsContact CE1-SD 3.51Å; F188-M198 HydrophobicContact CZ-CG 4.3Å; F188-M198 HydrophobicContact CZ-SD 3.73Å; M198-I200 HydrophobicContact CE-CD1 3.79Å; M198-I200 HydrophobicContact CE-CG1 4.08Å; M198-I200 HydrophobicContact CG-CG1 4.48Å; M198-F211 PolarHBondContact N-O 3.1Å; M198-F211 PolarHBondContact O-N 2.77Å; M198-V213 HydrophobicContact CB-CG2 3.55Å; M198-L308 HydrophobicContact CE-CD1 3.79Å; M198-L308 HydrophobicContact CE-CD2 3.51Å; M198-L308 HydrophobicContact CE-CG 4.31Å |
| 199 | W | 96.1 | Very high | 92.6 | Very high | 11 Ų | 11 | 44 Ų | 44 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 133.3 | 171.6 | -66.7 | 83.9 | 0 | 0 | 0 | 108.6 | L170 L186 F187 E189 A209 K210 F314 F318 | L170-W199 HydrophobicContact CD1-CH2 3.92Å; L170-W199 HydrophobicContact CD1-CZ2 3.49Å; L170-W199 VanDerWaalsContact CD1-CZ2 3.49Å; L186-W199 WeakPolarHBondContact CA-O 3.37Å; F187-W199 HydrophobicContact CB-CB 4.26Å; F187-W199 HydrophobicContact CD1-CB 4.42Å; F187-W199 AromaticContact CD1-CD1 3.65Å; F187-W199 HydrophobicContact CD1-CG 4.21Å; F187-W199 PolarHBondContact N-O 2.84Å; F187-W199 PolarHBondContact O-N 3.43Å; E189-W199 PolarHBondContact OE2-NE1 2.91Å; W199-A209 WeakPolarHBondContact CA-O 3.38Å; W199-K210 HydrophobicContact CD2-CB 4.14Å; W199-K210 HydrophobicContact CD2-CD 4.37Å; W199-K210 HydrophobicContact CD2-CG 3.97Å; W199-K210 HydrophobicContact CE3-CB 3.95Å; W199-K210 HydrophobicContact CE3-CG 4.28Å; W199-K210 HydrophobicContact CH2-CB 4.45Å; W199-K210 HydrophobicContact CH2-CD 4.05Å; W199-K210 HydrophobicContact CH2-CG 4.5Å; W199-K210 HydrophobicContact CZ2-CD 3.68Å; W199-K210 HydrophobicContact CZ2-CG 4.21Å; W199-K210 HydrophobicContact CZ3-CB 4.1Å; W199-F314 HydrophobicContact CH2-CD2 4.39Å; W199-F314 AromaticContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CZ 4.24Å; W199-F314 AromaticContact CZ3-CD2 3.72Å; W199-F314 HydrophobicContact CZ3-CD2 3.72Å; W199-F314 AromaticContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CE2 3.48Å; W199-F314 VanDerWaalsContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CZ 4.36Å; W199-F318 HydrophobicContact CB-CD1 4.33Å; W199-F318 HydrophobicContact CB-CE1 3.47Å; W199-F318 VanDerWaalsContact CB-CE1 3.47Å; W199-F318 HydrophobicContact CB-CZ 4.12Å; W199-F318 HydrophobicContact CD2-CD1 4.12Å; W199-F318 HydrophobicContact CD2-CE1 4.11Å; W199-F318 HydrophobicContact CE3-CD1 4.09Å; W199-F318 HydrophobicContact CE3-CE1 4.33Å; W199-F318 HydrophobicContact CG-CD1 4.29Å; W199-F318 AromaticContact CG-CE1 3.81Å; W199-F318 HydrophobicContact CG-CE1 3.81Å |
| 200 | I | 96.3 | Very high | 92.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 125.8 | 170.4 | -46.5 | -162.5 | 0 | 0 | 0 | 106.8 | C185 L186 M198 S208 A209 F211 L254 F255 T258 F259 | C185-I200 WeakPolarHBondContact O-CA 3.43Å; L186-I200 HydrophobicContact CD2-CB 4.09Å; L186-I200 HydrophobicContact CD2-CD1 3.71Å; L186-I200 HydrophobicContact CD2-CG1 3.54Å; L186-I200 HydrophobicContact CD2-CG2 3.9Å; M198-I200 HydrophobicContact CE-CD1 3.79Å; M198-I200 HydrophobicContact CE-CG1 4.08Å; M198-I200 HydrophobicContact CG-CG1 4.48Å; I200-S208 CarbonylContact O-C 3.59Å; I200-S208 WeakPolarHBondContact O-CA 3.37Å; I200-A209 PolarHBondContact N-O 2.85Å; I200-A209 PolarHBondContact O-N 2.9Å; I200-F211 HydrophobicContact CB-CE2 4.46Å; I200-F211 HydrophobicContact CD1-CD2 4.47Å; I200-F211 HydrophobicContact CD1-CE2 4.06Å; I200-F211 HydrophobicContact CG1-CD2 4.17Å; I200-F211 HydrophobicContact CG1-CE2 3.93Å; I200-L254 HydrophobicContact CB-CD2 4.1Å; I200-L254 HydrophobicContact CG2-CD1 4.23Å; I200-L254 HydrophobicContact CG2-CD2 3.96Å; I200-L254 HydrophobicContact CG2-CG 3.84Å; I200-F255 HydrophobicContact CD1-CD1 3.97Å; I200-F255 HydrophobicContact CD1-CE1 3.65Å; I200-T258 HydrophobicContact CG2-CG2 4.15Å; I200-F259 HydrophobicContact CD1-CE2 4.24Å; I200-F259 HydrophobicContact CD1-CZ 4.47Å |
| 201 | S | 95.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 145.8 | -177.8 | -163.8 | 0 | 0 | 0 | 0 | 112.7 | K184 C185 P207 S208 S317 | K184-S201 CarbonylContact C-O 3.37Å; K184-S201 WeakPolarHBondContact CA-O 3.42Å; C185-S201 PolarHBondContact N-O 3.06Å; C185-S201 PolarHBondContact O-N 3.09Å; S201-P207 WeakPolarHBondContact CA-O 3.23Å; S201-P207 PolarHBondContact OG-O 2.69Å; S201-S208 WeakPolarHBondContact CB-OG 3.38Å; S201-S208 PolarHBondContact OG-OG 3.01Å; S201-S317 WeakPolarHBondContact OG-CA 3.46Å; S201-S317 WeakPolarHBondContact OG-CB 2.91Å; S201-S317 PolarHBondContact OG-OG 2.91Å |
| 202 | N | 94.8 | Very high | 93.2 | Very high | 28 Ų | 28 | 39.5 Ų | 39.5 | 15% | 0.15 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 118.3 | 156.6 | -78.5 | 4.8 | 0 | 0 | 0 | 108.7 | K184 G206 P207 L254 Q257 | K184-N202 WeakPolarHBondContact CD-OD1 3.25Å; K184-N202 WeakPolarHBondContact CE-OD1 3.4Å; K184-N202 PolarHBondContact NZ-ND2 3.33Å; K184-N202 PolarHBondContact NZ-OD1 3.13Å; N202-G206 VanDerWaalsContact CB-O 3.26Å; N202-G206 WeakPolarHBondContact CB-O 3.38Å; N202-G206 WeakPolarHBondContact O-CA 3.25Å; N202-G206 PolarHBondContact O-N 2.81Å; N202-P207 PolarHBondContact N-O 2.76Å; N202-P207 VanDerWaalsContact N-O 3.12Å; N202-L254 WeakPolarHBondContact OD1-CD1 3.37Å; N202-Q257 PolarHBondContact ND2-OE1 2.96Å; N202-Q257 VanDerWaalsContact ND2-OE1 3.11Å |
| 203 | C | 91.3 | Very high | 93.5 | Very high | 17 Ų | 17 | 33.6 Ų | 33.6 | 12% | 0.115 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99 | 141.5 | 178.2 | -61.4 | 0 | 0 | 0 | 0 | 110.2 | C177 N183 S317 | C177-C203 HydrophobicContact CB-CB 3.86Å; N183-C203 PolarHBondContact O-N 3.04Å; C203-S317 PolarHBondContact SG-OG 3.28Å; C203-S317 VanDerWaalsContact SG-OG 3.4Å |
| 204 | P | 87.8 | Confident | 93.8 | Very high | 82 Ų | 82 | 29.1 Ų | 29.1 | 53% | 0.532 | 15% | 0.152 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91 | -15.7 | -0.9 | 35.3 | -34.9 | 0 | 0 | 0 | 114.4 | G206 S317 | P204-G206 PolarHBondContact O-N 3.4Å; P204-S317 WeakPolarHBondContact O-CB 3.44Å |
| 205 | H | 87.8 | Confident | 94 | Very high | 165 Ų | 165 | 27.1 Ų | 27.1 | 76% | 0.764 | 15% | 0.145 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.2 | -17.2 | -165.2 | -58.6 | -66.1 | 0 | 0 | 0 | 115.7 | ||
| 206 | G | 87.3 | Confident | 94.1 | Very high | 13 Ų | 13 | 27.6 Ų | 27.6 | 13% | 0.134 | 15% | 0.147 | C | C | . | . | trans | 89.7 | -178.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | N202 P204 | N202-G206 VanDerWaalsContact CB-O 3.26Å; N202-G206 WeakPolarHBondContact CB-O 3.38Å; N202-G206 WeakPolarHBondContact O-CA 3.25Å; N202-G206 PolarHBondContact O-N 2.81Å; P204-G206 PolarHBondContact O-N 3.4Å | ||
| 207 | P | 94.2 | Very high | 94 | Very high | 30 Ų | 30 | 30.3 Ų | 30.3 | 20% | 0.195 | 16% | 0.16 | C | C | . | . | cis | -77.4 | 167.7 | 5.1 | 32.7 | -36.8 | 0 | 0 | 0 | 113.8 | S201 N202 L250 F314 Q315 | S201-P207 WeakPolarHBondContact CA-O 3.23Å; S201-P207 PolarHBondContact OG-O 2.69Å; N202-P207 PolarHBondContact N-O 2.76Å; N202-P207 VanDerWaalsContact N-O 3.12Å; P207-L250 HydrophobicContact CB-CD2 4.42Å; P207-L250 HydrophobicContact CG-CD2 4.11Å; P207-L250 HydrophobicContact CG-CG 4.48Å; P207-F314 WeakPolarHBondContact CA-O 3.46Å; P207-F314 WeakPolarHBondContact CB-O 3.4Å; P207-Q315 WeakPolarHBondContact CA-O 3.43Å | ||
| 208 | S | 95.1 | Very high | 93.8 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 130.1 | 173.6 | -97.5 | 0 | 0 | 0 | 0 | 111.6 | I200 S201 I313 F314 G316 F318 | I200-S208 CarbonylContact O-C 3.59Å; I200-S208 WeakPolarHBondContact O-CA 3.37Å; S201-S208 WeakPolarHBondContact CB-OG 3.38Å; S201-S208 PolarHBondContact OG-OG 3.01Å; S208-I313 CarbonylContact O-C 3.59Å; S208-I313 WeakPolarHBondContact O-CA 3.36Å; S208-F314 PolarHBondContact N-O 3.36Å; S208-F314 PolarHBondContact O-N 3.29Å; S208-G316 VanDerWaalsContact CB-O 3.3Å; S208-G316 WeakPolarHBondContact CB-O 3.46Å; S208-G316 PolarHBondContact OG-O 2.86Å; S208-F318 PolarHBondContact OG-N 3.44Å |
| 209 | A | 96.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.6 | 173 | 0 | 0 | 0 | 0 | 0 | 111.2 | W199 I200 F211 L251 L254 I313 | W199-A209 WeakPolarHBondContact CA-O 3.38Å; I200-A209 PolarHBondContact N-O 2.85Å; I200-A209 PolarHBondContact O-N 2.9Å; A209-F211 HydrophobicContact CB-CD2 4.42Å; A209-F211 HydrophobicContact CB-CE2 3.5Å; A209-F211 HydrophobicContact CB-CZ 3.74Å; A209-L251 HydrophobicContact CB-CD2 3.48Å; A209-L251 VanDerWaalsContact CB-CD2 3.48Å; A209-L254 HydrophobicContact CB-CD2 3.82Å; A209-I313 HydrophobicContact CB-CG1 4.5Å |
| 210 | K | 96 | Very high | 92.9 | Very high | 29 Ų | 29 | 36.3 Ų | 36.3 | 13% | 0.126 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 125.4 | 176.1 | -168.7 | -176 | -170 | 130.8 | 0 | 111.1 | E189 W199 I311 K312 F314 | E189-K210 IonicContact OE1-NZ 3.46Å; E189-K210 WeakPolarHBondContact OE2-CE 3.28Å; E189-K210 IonicContact OE2-NZ 3.97Å; E189-K210 PolarHBondContact OE2-NZ 2.66Å; W199-K210 HydrophobicContact CD2-CB 4.14Å; W199-K210 HydrophobicContact CD2-CD 4.37Å; W199-K210 HydrophobicContact CD2-CG 3.97Å; W199-K210 HydrophobicContact CE3-CB 3.95Å; W199-K210 HydrophobicContact CE3-CG 4.28Å; W199-K210 HydrophobicContact CH2-CB 4.45Å; W199-K210 HydrophobicContact CH2-CD 4.05Å; W199-K210 HydrophobicContact CH2-CG 4.5Å; W199-K210 HydrophobicContact CZ2-CD 3.68Å; W199-K210 HydrophobicContact CZ2-CG 4.21Å; W199-K210 HydrophobicContact CZ3-CB 4.1Å; K210-I311 HydrophobicContact CD-CD1 4.25Å; K210-I311 HydrophobicContact CG-CD1 4.21Å; K210-I311 WeakPolarHBondContact O-CB 3.26Å; K210-I311 PolarHBondContact O-N 3.04Å; K210-K312 PolarHBondContact N-O 2.9Å; K210-F314 HydrophobicContact CB-CE2 4.24Å |
| 211 | F | 97 | Very high | 92.4 | Very high | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 148.4 | 178.3 | -57.1 | -84.2 | 0 | 0 | 0 | 111.8 | Y197 M198 I200 A209 L251 F255 I285 L308 N309 L310 | Y197-F211 CarbonylContact C-O 3.52Å; Y197-F211 WeakPolarHBondContact CA-O 3.41Å; M198-F211 PolarHBondContact N-O 3.1Å; M198-F211 PolarHBondContact O-N 2.77Å; I200-F211 HydrophobicContact CB-CE2 4.46Å; I200-F211 HydrophobicContact CD1-CD2 4.47Å; I200-F211 HydrophobicContact CD1-CE2 4.06Å; I200-F211 HydrophobicContact CG1-CD2 4.17Å; I200-F211 HydrophobicContact CG1-CE2 3.93Å; A209-F211 HydrophobicContact CB-CD2 4.42Å; A209-F211 HydrophobicContact CB-CE2 3.5Å; A209-F211 HydrophobicContact CB-CZ 3.74Å; F211-L251 HydrophobicContact CE1-CD1 3.95Å; F211-L251 HydrophobicContact CZ-CD1 3.91Å; F211-L251 HydrophobicContact CZ-CD2 3.72Å; F211-L251 HydrophobicContact CZ-CG 4.43Å; F211-F255 HydrophobicContact CE1-CZ 4.16Å; F211-F255 HydrophobicContact CE2-CE1 4.04Å; F211-F255 HydrophobicContact CE2-CZ 4.3Å; F211-F255 AromaticContact CZ-CE1 3.77Å; F211-F255 HydrophobicContact CZ-CE1 3.77Å; F211-F255 AromaticContact CZ-CZ 3.64Å; F211-F255 HydrophobicContact CZ-CZ 3.64Å; F211-I285 HydrophobicContact CE1-CD1 4.18Å; F211-L308 HydrophobicContact CB-CB 4.28Å; F211-L308 HydrophobicContact CB-CD2 4.25Å; F211-L308 HydrophobicContact CD1-CB 3.79Å; F211-L308 HydrophobicContact CD1-CD1 4.42Å; F211-L308 HydrophobicContact CE1-CB 4.42Å; F211-L308 HydrophobicContact CG-CB 4.16Å; F211-L308 HydrophobicContact CG-CD1 4.39Å; F211-N309 CarbonylContact C-O 3.57Å; F211-N309 WeakPolarHBondContact CA-O 2.9Å; F211-L310 HydrophobicContact CD1-CB 4.27Å; F211-L310 HydrophobicContact CD1-CD1 4.12Å; F211-L310 HydrophobicContact CE1-CB 4.18Å; F211-L310 HydrophobicContact CE1-CD1 3.69Å; F211-L310 HydrophobicContact CZ-CD1 4.18Å |
| 212 | L | 96.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 46.9 Ų | 46.9 | 2% | 0.016 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 125.1 | 156.6 | 177.4 | 74.6 | 0 | 0 | 0 | 107.9 | Y197 Q214 N309 I311 F329 P332 | Y197-L212 HydrophobicContact CD1-CB 4.38Å; Y197-L212 HydrophobicContact CD1-CD1 4.05Å; Y197-L212 HydrophobicContact CE1-CB 4.34Å; Y197-L212 HydrophobicContact CE1-CD1 3.64Å; Y197-L212 HydrophobicContact CE2-CD1 4.46Å; L212-Q214 HydrophobicContact CD2-CG 4.05Å; L212-Q214 HydrophobicContact CG-CG 4.15Å; L212-N309 HydrophobicContact CB-CB 4.37Å; L212-N309 PolarHBondContact N-O 2.78Å; L212-N309 PolarHBondContact O-N 2.85Å; L212-I311 HydrophobicContact CB-CD1 4.09Å; L212-I311 HydrophobicContact CB-CG1 4.44Å; L212-F329 HydrophobicContact CB-CE2 3.76Å; L212-F329 HydrophobicContact CB-CZ 4.27Å; L212-F329 HydrophobicContact CD2-CE2 3.85Å; L212-F329 HydrophobicContact CD2-CZ 4.36Å; L212-F329 HydrophobicContact CG-CE2 4.42Å; L212-P332 HydrophobicContact CD1-CG 3.81Å; L212-P332 HydrophobicContact CD2-CG 3.68Å; L212-P332 HydrophobicContact CG-CG 4.43Å |
| 213 | V | 96 | Very high | 90.9 | Very high | 11 Ų | 11 | 54.8 Ų | 54.8 | 7% | 0.067 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 127.3 | 177.2 | -168.5 | 0 | 0 | 0 | 0 | 109.6 | L196 M198 I216 F306 V307 L308 | L196-V213 HydrophobicContact CB-CB 4.3Å; L196-V213 HydrophobicContact CD2-CB 3.99Å; L196-V213 HydrophobicContact CD2-CG1 4.29Å; L196-V213 HydrophobicContact CD2-CG2 4.15Å; L196-V213 HydrophobicContact CG-CB 4.14Å; L196-V213 HydrophobicContact CG-CG2 4.15Å; L196-V213 PolarHBondContact O-N 2.74Å; M198-V213 HydrophobicContact CB-CG2 3.55Å; V213-I216 HydrophobicContact CG1-CD1 3.91Å; V213-I216 HydrophobicContact CG1-CG1 3.67Å; V213-F306 HydrophobicContact CG1-CB 4Å; V213-F306 HydrophobicContact CG1-CD2 4.35Å; V213-F306 HydrophobicContact CG1-CG 4.39Å; V213-V307 WeakPolarHBondContact CA-O 3.47Å; V213-L308 HydrophobicContact CB-CD2 4.48Å; V213-L308 HydrophobicContact CG1-CD2 4.3Å; V213-L308 HydrophobicContact CG2-CD2 3.91Å |
| 214 | Q | 93.4 | Very high | 90.5 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 25% | 0.248 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 166.6 | 179.2 | -63.7 | -174.8 | -31.4 | 0 | 0 | 110.6 | L212 I216 V307 | L212-Q214 HydrophobicContact CD2-CG 4.05Å; L212-Q214 HydrophobicContact CG-CG 4.15Å; Q214-I216 VanDerWaalsContact C-N 3.28Å; Q214-I216 PolarHBondContact O-N 2.96Å; Q214-I216 VanDerWaalsContact O-N 3.16Å; Q214-V307 HydrophobicContact CB-CB 4.36Å; Q214-V307 PolarHBondContact N-O 3.42Å; Q214-V307 PolarHBondContact O-N 3.1Å |
| 215 | N | 93.5 | Very high | 90.6 | Very high | 91 Ų | 91 | 56.9 Ų | 56.9 | 49% | 0.487 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 47.1 | 47.8 | 173.4 | -58.9 | -3.7 | 0 | 0 | 0 | 113.6 | H217 V307 | N215-H217 PolarHBondContact O-CD2 3.37Å; N215-H217 PolarHBondContact O-N 3.43Å; N215-V307 HydrophobicContact CB-CG2 4.04Å |
| 216 | I | 93.8 | Very high | 90.6 | Very high | 20 Ų | 20 | 49.7 Ų | 49.7 | 10% | 0.103 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.6 | 122.5 | 178.8 | -56.9 | 167 | 0 | 0 | 0 | 109.1 | R143 L147 L196 V213 Q214 T218 F306 | R143-I216 WeakPolarHBondContact CD-O 3.46Å; R143-I216 HydrophobicContact CG-CG2 3.99Å; R143-I216 PolarHBondContact NH1-O 3.1Å; R143-I216 VanDerWaalsContact NH1-O 3.08Å; L147-I216 HydrophobicContact CB-CG2 4.13Å; L147-I216 HydrophobicContact CD1-CG2 4.4Å; L147-I216 HydrophobicContact CD2-CD1 4.15Å; L147-I216 HydrophobicContact CD2-CG1 4.25Å; L147-I216 HydrophobicContact CD2-CG2 3.88Å; L147-I216 HydrophobicContact CG-CG2 4.36Å; L196-I216 HydrophobicContact CD2-CD1 3.59Å; V213-I216 HydrophobicContact CG1-CD1 3.91Å; V213-I216 HydrophobicContact CG1-CG1 3.67Å; Q214-I216 VanDerWaalsContact C-N 3.28Å; Q214-I216 PolarHBondContact O-N 2.96Å; Q214-I216 VanDerWaalsContact O-N 3.16Å; I216-T218 HydrophobicContact CG2-CG2 4.31Å; I216-F306 HydrophobicContact CG1-CB 4.35Å |
| 217 | H | 93.1 | Very high | 90.7 | Very high | 66 Ų | 66 | 54.8 Ų | 54.8 | 31% | 0.306 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 126.1 | 168.9 | -62.9 | -78.4 | 0 | 0 | 0 | 108.6 | N215 E221 M224 P304 R305 | N215-H217 PolarHBondContact O-CD2 3.37Å; N215-H217 PolarHBondContact O-N 3.43Å; H217-E221 WeakPolarHBondContact CA-OE1 3.44Å; H217-E221 IonicContact CE1-OE2 2.94Å; H217-E221 IonicContact CG-OE2 2.9Å; H217-E221 IonicContact ND1-OE1 3.74Å; H217-E221 IonicContact ND1-OE2 2.68Å; H217-E221 PolarHBondContact ND1-OE2 3Å; H217-M224 HydrophobicContact CB-CE 4.13Å; H217-P304 CarbonylContact O-C 3.56Å; H217-P304 VanDerWaalsContact O-CA 3.27Å; H217-P304 WeakPolarHBondContact O-CA 3.46Å; H217-P304 VanDerWaalsContact O-CB 3.29Å; H217-P304 WeakPolarHBondContact O-CB 3.27Å; H217-R305 HydrophobicContact CB-CB 4.18Å; H217-R305 PolarHBondContact N-O 2.74Å; H217-R305 PolarHBondContact O-N 2.67Å |
| 218 | T | 91.5 | Very high | 90.5 | Very high | 10 Ų | 10 | 54.3 Ų | 54.3 | 6% | 0.061 | 29% | 0.294 | C | S | . | . | trans | -96.9 | 164.3 | -176.2 | 49.8 | 0 | 0 | 0 | 0 | 112.3 | R143 H146 L147 D150 I216 A220 E221 | R143-T218 HydrophobicContact CG-CG2 3.73Å; H146-T218 HydrophobicContact CB-CG2 3.69Å; L147-T218 HydrophobicContact CB-CG2 4.24Å; D150-T218 WeakPolarHBondContact OD2-CA 3.36Å; D150-T218 WeakPolarHBondContact OD2-CB 3.39Å; I216-T218 HydrophobicContact CG2-CG2 4.31Å; T218-A220 PolarHBondContact O-N 3.5Å; T218-A220 VanDerWaalsContact O-N 3.12Å; T218-E221 PolarHBondContact N-OE1 3.05Å; T218-E221 WeakPolarHBondContact O-CB 3.42Å; T218-E221 PolarHBondContact O-N 2.87Å; T218-E221 VanDerWaalsContact O-N 3.11Å | ||
| 219 | L | 87.5 | Confident | 90.3 | Very high | 57 Ų | 57 | 58.6 Ų | 58.6 | 30% | 0.298 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -35.2 | 177.5 | -69.5 | 174.9 | 0 | 0 | 0 | 113.2 | D150 E221 I302 G303 | D150-L219 HydrophobicContact CB-CD1 3.64Å; D150-L219 HydrophobicContact CB-CG 3.87Å; D150-L219 PolarHBondContact OD2-N 2.95Å; L219-E221 PolarHBondContact O-N 3.24Å; L219-E221 VanDerWaalsContact O-N 3.16Å; L219-I302 HydrophobicContact CD2-CG2 3.71Å; L219-I302 WeakPolarHBondContact CD2-O 3.47Å; L219-G303 VanDerWaalsContact CD2-C 3.44Å; L219-G303 WeakPolarHBondContact CD2-O 3.01Å |
| 220 | A | 85.9 | Confident | 89.9 | Confident | 87 Ų | 87 | 66.4 Ų | 66.4 | 72% | 0.719 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.3 | 15.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T218 | T218-A220 PolarHBondContact O-N 3.5Å; T218-A220 VanDerWaalsContact O-N 3.12Å |
| 221 | E | 86.6 | Confident | 89.4 | Confident | 51 Ų | 51 | 65.1 Ų | 65.1 | 24% | 0.238 | 35% | 0.346 | C | S | . | . | S | Bend | trans | -95.1 | 127.8 | 177.9 | -68.1 | -171.8 | -160.1 | 0 | 0 | 111.6 | R143 H217 T218 L219 K223 M224 | R143-E221 IonicContact NE-OE1 3.95Å; H217-E221 WeakPolarHBondContact CA-OE1 3.44Å; H217-E221 IonicContact CE1-OE2 2.94Å; H217-E221 IonicContact CG-OE2 2.9Å; H217-E221 IonicContact ND1-OE1 3.74Å; H217-E221 IonicContact ND1-OE2 2.68Å; H217-E221 PolarHBondContact ND1-OE2 3Å; T218-E221 PolarHBondContact N-OE1 3.05Å; T218-E221 WeakPolarHBondContact O-CB 3.42Å; T218-E221 PolarHBondContact O-N 2.87Å; T218-E221 VanDerWaalsContact O-N 3.11Å; L219-E221 PolarHBondContact O-N 3.24Å; L219-E221 VanDerWaalsContact O-N 3.16Å; E221-K223 PolarHBondContact O-N 3.44Å; E221-M224 PolarHBondContact O-N 3.35Å |
| 222 | L | 76.1 | Confident | 89 | Confident | 171 Ų | 171 | 65.1 Ų | 65.1 | 90% | 0.895 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51 | -17 | -171.2 | -174.3 | 62.7 | 0 | 0 | 0 | 116.7 | ||
| 223 | K | 81.6 | Confident | 88.8 | Confident | 194 Ų | 194 | 68.7 Ų | 68.7 | 84% | 0.843 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85 | -10.5 | 178.4 | -65.9 | -167.4 | 174.5 | -165.9 | 0 | 114 | E221 | E221-K223 PolarHBondContact O-N 3.44Š|
| 224 | M | 84.8 | Confident | 88.7 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 13% | 0.133 | 36% | 0.36 | C | S | . | . | trans | -93.8 | 110.5 | 174.8 | -56.1 | -53.2 | -170.7 | 0 | 0 | 108.5 | H217 E221 E301 I302 R305 | H217-M224 HydrophobicContact CB-CE 4.13Å; E221-M224 PolarHBondContact O-N 3.35Å; M224-E301 WeakPolarHBondContact CA-O 3.44Å; M224-E301 HydrophobicContact SD-CB 3.81Å; M224-I302 VanDerWaalsContact CB-O 3.22Å; M224-I302 WeakPolarHBondContact CB-O 3.47Å; M224-I302 WeakPolarHBondContact CG-O 3.26Å; M224-R305 HydrophobicContact CE-CB 3.77Å | ||
| 225 | T | 88.2 | Confident | 88.7 | Confident | 117 Ų | 117 | 70.6 Ų | 70.6 | 72% | 0.718 | 37% | 0.371 | S | S | * | . | trans | -104.7 | -13.8 | -177.7 | 53.4 | 0 | 0 | 0 | 0 | 112.9 | V300 E301 | T225-V300 VanDerWaalsContact OG1-CG1 3.3Å; T225-V300 WeakPolarHBondContact OG1-CG1 3.29Å; T225-E301 PolarHBondContact N-O 3.14Å | ||
| 226 | G | 88.1 | Confident | 88.8 | Confident | 14 Ų | 14 | 68.4 Ų | 68.4 | 14% | 0.144 | 36% | 0.359 | C | S | . | . | trans | -74.2 | 155.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | E301 | G226-E301 PolarHBondContact N-O 2.81Å; G226-E301 VanDerWaalsContact N-O 3.14Å | ||
| 227 | N | 90.8 | Very high | 88.9 | Confident | 119 Ų | 119 | 70.3 Ų | 70.3 | 64% | 0.636 | 37% | 0.374 | S | S | * | . | trans | -123.1 | 167 | 171.9 | -173.2 | 24 | 0 | 0 | 0 | 109.5 | Q291 | N227-Q291 VanDerWaalsContact O-CG 3.23Å; N227-Q291 WeakPolarHBondContact O-CG 3.33Å; N227-Q291 PolarHBondContact O-NE2 2.78Å; N227-Q291 PolarHBondContact O-OE1 3.31Å | ||
| 228 | C | 90.1 | Very high | 89 | Confident | 20 Ų | 20 | 68.9 Ų | 68.9 | 14% | 0.135 | 37% | 0.367 | C | S | . | . | trans | -153.2 | 149.3 | 166 | 63.1 | 0 | 0 | 0 | 0 | 113.1 | K230 D273 H274 I302 | C228-K230 PolarHBondContact O-N 3.42Å; C228-D273 WeakPolarHBondContact CA-OD2 3.43Å; C228-D273 WeakPolarHBondContact CB-OD2 3.48Å; C228-H274 HydrophobicContact CB-CB 4.16Å; C228-I302 HydrophobicContact CB-CD1 3.78Å | ||
| 229 | L | 89.8 | Confident | 89.3 | Confident | 90 Ų | 90 | 69.9 Ų | 69.9 | 47% | 0.471 | 37% | 0.372 | S | S | . | . | trans | -56 | 126.4 | 171 | -68.5 | 179.2 | 0 | 0 | 0 | 110.7 | G231 S232 F271 D273 | L229-G231 PolarHBondContact O-N 3Å; L229-S232 PolarHBondContact O-N 2.83Å; L229-S232 PolarHBondContact O-OG 2.83Å; L229-F271 HydrophobicContact CD1-CB 4.37Å; L229-F271 HydrophobicContact CD1-CD2 4.45Å; L229-D273 PolarHBondContact N-OD2 2.75Å | ||
| 230 | K | 88.4 | Confident | 89.6 | Confident | 164 Ų | 164 | 71.7 Ų | 71.7 | 71% | 0.713 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | 118.7 | 180 | -66.4 | 174.8 | -176.5 | 165.6 | 0 | 109.8 | T153 C228 | T153-K230 HydrophobicContact CG2-CD 3.97Å; T153-K230 HydrophobicContact CG2-CG 4.01Å; C228-K230 PolarHBondContact O-N 3.42Å |
| 231 | G | 84.5 | Confident | 90 | Very high | 3 Ų | 3 | 72 Ų | 72 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 81.8 | 10.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | L229 S268 Q269 | L229-G231 PolarHBondContact O-N 3Å; G231-S268 CarbonylContact O-C 3.5Å; G231-S268 WeakPolarHBondContact O-CA 3.43Å; G231-Q269 PolarHBondContact O-N 2.64Å |
| 232 | S | 90 | Very high | 90.4 | Very high | 0 Ų | 0 | 69.6 Ų | 69.6 | 0% | 0 | 36% | 0.361 | C | S | . | . | trans | -58.6 | 158.7 | 161 | 53.4 | 0 | 0 | 0 | 0 | 110.7 | L229 P234 F271 H274 | L229-S232 PolarHBondContact O-N 2.83Å; L229-S232 PolarHBondContact O-OG 2.83Å; S232-P234 WeakPolarHBondContact O-CD 3.43Å; S232-F271 WeakPolarHBondContact CB-O 3.38Å; S232-H274 PolarHBondContact O-CE1 3.42Å; S232-H274 PolarHBondContact OG-CE1 2.96Å; S232-H274 PolarHBondContact OG-ND1 2.88Å | ||
| 233 | R | 91.2 | Very high | 91.3 | Very high | 78 Ų | 78 | 66 Ų | 66 | 29% | 0.294 | 34% | 0.343 | S | S | . | . | trans | -89.4 | 115 | -175.2 | -63.2 | 175.4 | 60 | -135.3 | -4.7 | 109.2 | T261 H263 F271 | R233-T261 WeakPolarHBondContact CA-OG1 3.39Å; R233-T261 WeakPolarHBondContact CG-OG1 3.42Å; R233-H263 PolarHBondContact NH1-ND1 2.7Å; R233-F271 PolarHBondContact N-O 3.21Å | ||
| 234 | P | 93.3 | Very high | 91.9 | Very high | 13 Ų | 13 | 64.9 Ų | 64.9 | 8% | 0.084 | 34% | 0.338 | C | S | . | . | trans | -70.5 | 141.4 | -179.9 | 27.8 | -32.6 | 0 | 0 | 0 | 111.2 | S232 L236 T261 H274 Y276 | S232-P234 WeakPolarHBondContact O-CD 3.43Å; P234-L236 HydrophobicContact CB-CD2 4.43Å; P234-L236 HydrophobicContact CG-CD2 4.42Å; P234-T261 WeakPolarHBondContact CD-OG1 2.95Å; P234-T261 HydrophobicContact CG-CG2 4.21Å; P234-H274 WeakPolarHBondContact CA-O 3.43Å; P234-H274 WeakPolarHBondContact CB-NE2 3.26Å; P234-Y276 HydrophobicContact CB-CD1 4.34Å; P234-Y276 HydrophobicContact CB-CD2 3.78Å; P234-Y276 HydrophobicContact CB-CE1 4.18Å; P234-Y276 HydrophobicContact CB-CE2 3.59Å; P234-Y276 HydrophobicContact CB-CG 4.12Å; P234-Y276 HydrophobicContact CG-CD2 4.01Å; P234-Y276 HydrophobicContact CG-CE2 3.5Å; P234-Y276 VanDerWaalsContact CG-CE2 3.5Å | ||
| 235 | L | 93.6 | Very high | 92.3 | Very high | 90 Ų | 90 | 67.2 Ų | 67.2 | 47% | 0.471 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 141.7 | 157.9 | -59.9 | 178.9 | 0 | 0 | 0 | 109.2 | V272 H274 V275 Y276 I292 | L235-V272 HydrophobicContact CD1-CG1 3.91Å; L235-V272 HydrophobicContact CD2-CG1 3.86Å; L235-V272 HydrophobicContact CG-CG1 3.52Å; L235-H274 PolarHBondContact N-O 2.94Å; L235-V275 HydrophobicContact CB-CG1 4.18Å; L235-V275 HydrophobicContact CB-CG2 4.21Å; L235-V275 HydrophobicContact CD1-CG2 4.39Å; L235-V275 CarbonylContact O-C 3.29Å; L235-V275 WeakPolarHBondContact O-CA 3.2Å; L235-Y276 PolarHBondContact O-N 2.79Å; L235-I292 HydrophobicContact CD1-CD1 4.24Å |
| 236 | L | 95.3 | Very high | 92.5 | Very high | 46 Ų | 46 | 66.4 Ų | 66.4 | 24% | 0.241 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 113.8 | 176.3 | -52.4 | -175.6 | 0 | 0 | 0 | 109.2 | P234 F238 I256 F259 Y276 F278 | P234-L236 HydrophobicContact CB-CD2 4.43Å; P234-L236 HydrophobicContact CG-CD2 4.42Å; L236-F238 HydrophobicContact CB-CD2 4.37Å; L236-F238 HydrophobicContact CB-CE2 3.63Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-F238 HydrophobicContact CD1-CE2 4.34Å; L236-F238 HydrophobicContact CD1-CZ 4.46Å; L236-I256 HydrophobicContact CD1-CB 4.4Å; L236-I256 HydrophobicContact CD1-CG1 4.2Å; L236-F259 HydrophobicContact CD2-CB 4.29Å; L236-Y276 HydrophobicContact CD2-CD2 3.57Å; L236-Y276 HydrophobicContact CD2-CE2 4.47Å; L236-Y276 HydrophobicContact CD2-CG 4.21Å; L236-F278 HydrophobicContact CD2-CE2 4.42Å |
| 237 | S | 95.9 | Very high | 92.7 | Very high | 59 Ų | 59 | 67.6 Ų | 67.6 | 41% | 0.413 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 125.4 | 176.8 | 177.3 | 0 | 0 | 0 | 0 | 110.1 | Y276 T277 F278 | S237-Y276 PolarHBondContact N-O 3.14Å; S237-T277 WeakPolarHBondContact O-CA 3.4Å; S237-F278 PolarHBondContact O-N 3.19Å |
| 238 | F | 97.1 | Very high | 92.9 | Very high | 36 Ų | 36 | 62.2 Ų | 62.2 | 16% | 0.158 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 137.1 | -178 | -66.8 | -85.7 | 0 | 0 | 0 | 110.8 | L236 F242 K252 F255 I256 F278 | L236-F238 HydrophobicContact CB-CD2 4.37Å; L236-F238 HydrophobicContact CB-CE2 3.63Å; L236-F238 HydrophobicContact CB-CZ 4.26Å; L236-F238 HydrophobicContact CD1-CE2 4.34Å; L236-F238 HydrophobicContact CD1-CZ 4.46Å; F238-F242 HydrophobicContact CB-CD2 4.14Å; F238-F242 HydrophobicContact CD1-CD1 4.5Å; F238-F242 HydrophobicContact CD1-CD2 4.08Å; F238-F242 HydrophobicContact CD1-CE2 4.08Å; F238-F242 HydrophobicContact CD1-CG 4.3Å; F238-F242 HydrophobicContact CD1-CZ 4.3Å; F238-K252 HydrophobicContact CD1-CG 4Å; F238-K252 HydrophobicContact CD2-CG 4.26Å; F238-K252 HydrophobicContact CE1-CG 4.11Å; F238-K252 HydrophobicContact CE2-CG 4.35Å; F238-K252 HydrophobicContact CG-CD 4.4Å; F238-K252 HydrophobicContact CG-CG 4.09Å; F238-K252 HydrophobicContact CZ-CG 4.29Å; F238-F255 HydrophobicContact CE1-CB 4.12Å; F238-F255 HydrophobicContact CE1-CD2 4.24Å; F238-F255 HydrophobicContact CZ-CB 4.21Å; F238-I256 HydrophobicContact CE2-CD1 4.13Å; F238-I256 HydrophobicContact CE2-CG1 3.62Å; F238-I256 HydrophobicContact CZ-CD1 4.47Å; F238-I256 HydrophobicContact CZ-CG1 3.72Å; F238-F278 HydrophobicContact CD1-CB 3.71Å; F238-F278 AromaticContact CD1-CD2 3.85Å; F238-F278 HydrophobicContact CD1-CD2 3.85Å; F238-F278 AromaticContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CE1-CB 4.01Å; F238-F278 HydrophobicContact CE1-CD1 4.44Å; F238-F278 AromaticContact CE1-CD2 3.45Å; F238-F278 HydrophobicContact CE1-CD2 3.45Å; F238-F278 VanDerWaalsContact CE1-CD2 3.45Å; F238-F278 AromaticContact CE1-CE2 3.97Å; F238-F278 HydrophobicContact CE1-CE2 3.97Å; F238-F278 AromaticContact CE1-CG 3.73Å; F238-F278 HydrophobicContact CE1-CG 3.73Å; F238-F278 AromaticContact CZ-CD2 3.84Å; F238-F278 HydrophobicContact CZ-CD2 3.84Å; F238-F278 AromaticContact CZ-CE2 3.99Å; F238-F278 HydrophobicContact CZ-CE2 3.99Å |
| 239 | D | 96 | Very high | 93.2 | Very high | 31 Ų | 31 | 63 Ų | 63 | 17% | 0.166 | 33% | 0.325 | C | S | . | . | trans | -59.9 | 131.1 | 168.6 | -179.4 | -22.7 | 0 | 0 | 0 | 110.5 | K241 F242 F278 I280 | D239-K241 PolarHBondContact O-N 2.96Å; D239-K241 WeakPolarHBondContact OD1-CB 3.4Å; D239-K241 VanDerWaalsContact OD1-CG 3.26Å; D239-K241 WeakPolarHBondContact OD1-CG 3.33Å; D239-K241 PolarHBondContact OD1-N 3.15Å; D239-K241 IonicContact OD1-NZ 3.82Å; D239-K241 WeakPolarHBondContact OD2-CD 3.08Å; D239-K241 IonicContact OD2-NZ 3.1Å; D239-K241 PolarHBondContact OD2-NZ 3.23Å; D239-F242 HydrophobicContact CB-CD2 4.19Å; D239-F242 HydrophobicContact CB-CE2 4.5Å; D239-F242 WeakPolarHBondContact O-CB 3.43Å; D239-F242 WeakPolarHBondContact O-CD2 3.33Å; D239-F242 PolarHBondContact O-N 3.38Å; D239-F278 PolarHBondContact N-O 2.96Å; D239-I280 PolarHBondContact OD2-N 2.94Å | ||
| 240 | P | 95.1 | Very high | 93.4 | Very high | 95 Ų | 95 | 61.6 Ų | 61.6 | 62% | 0.617 | 32% | 0.318 | S | S | * | . | G | 310 helix | trans | -54 | -15.9 | 176.7 | -28.7 | 35.9 | 0 | 0 | 0 | 115.5 | F242 D243 | P240-F242 PolarHBondContact O-N 3.26Å; P240-D243 PolarHBondContact O-N 3.21Å |
| 241 | K | 94.8 | Very high | 93.8 | Very high | 94 Ų | 94 | 53.8 Ų | 53.8 | 41% | 0.409 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -60.4 | -25.4 | 169.1 | -67.7 | 171.1 | -155.3 | 134.2 | 0 | 113.5 | D239 D243 K244 I280 | D239-K241 PolarHBondContact O-N 2.96Å; D239-K241 WeakPolarHBondContact OD1-CB 3.4Å; D239-K241 VanDerWaalsContact OD1-CG 3.26Å; D239-K241 WeakPolarHBondContact OD1-CG 3.33Å; D239-K241 PolarHBondContact OD1-N 3.15Å; D239-K241 IonicContact OD1-NZ 3.82Å; D239-K241 WeakPolarHBondContact OD2-CD 3.08Å; D239-K241 IonicContact OD2-NZ 3.1Å; D239-K241 PolarHBondContact OD2-NZ 3.23Å; K241-D243 PolarHBondContact O-N 3.37Å; K241-K244 PolarHBondContact O-N 3.42Å; K241-I280 HydrophobicContact CB-CB 4.44Å; K241-I280 HydrophobicContact CB-CD1 4.11Å; K241-I280 HydrophobicContact CD-CB 4.13Å; K241-I280 HydrophobicContact CD-CG2 4.49Å; K241-I280 PolarHBondContact NZ-O 3.46Å |
| 242 | F | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -60.9 | -30 | 178 | -85.9 | -86.8 | 0 | 0 | 0 | 112.7 | F238 D239 P240 Y248 A249 K252 F255 F278 I280 I285 | F238-F242 HydrophobicContact CB-CD2 4.14Å; F238-F242 HydrophobicContact CD1-CD1 4.5Å; F238-F242 HydrophobicContact CD1-CD2 4.08Å; F238-F242 HydrophobicContact CD1-CE2 4.08Å; F238-F242 HydrophobicContact CD1-CG 4.3Å; F238-F242 HydrophobicContact CD1-CZ 4.3Å; D239-F242 HydrophobicContact CB-CD2 4.19Å; D239-F242 HydrophobicContact CB-CE2 4.5Å; D239-F242 WeakPolarHBondContact O-CB 3.43Å; D239-F242 WeakPolarHBondContact O-CD2 3.33Å; D239-F242 PolarHBondContact O-N 3.38Å; P240-F242 PolarHBondContact O-N 3.26Å; F242-Y248 WeakPolarHBondContact CD1-O 3.22Å; F242-Y248 CarbonylContact O-C 3.51Å; F242-Y248 VanDerWaalsContact O-C 3.29Å; F242-A249 WeakPolarHBondContact O-CA 3.27Å; F242-A249 PolarHBondContact O-N 3.06Å; F242-K252 HydrophobicContact CB-CB 4.26Å; F242-K252 HydrophobicContact CB-CD 3.97Å; F242-K252 HydrophobicContact CD1-CB 3.96Å; F242-K252 HydrophobicContact CG-CB 4.41Å; F242-F255 HydrophobicContact CE1-CD2 4.36Å; F242-F255 HydrophobicContact CE1-CE2 4.15Å; F242-F255 HydrophobicContact CZ-CE2 4.35Å; F242-F278 HydrophobicContact CE2-CB 3.76Å; F242-F278 WeakPolarHBondContact CE2-O 3.44Å; F242-F278 HydrophobicContact CZ-CB 3.89Å; F242-I280 HydrophobicContact CD1-CD1 4.08Å; F242-I280 HydrophobicContact CD2-CD1 3.64Å; F242-I280 HydrophobicContact CD2-CG1 3.9Å; F242-I280 HydrophobicContact CE1-CD1 4.11Å; F242-I280 HydrophobicContact CE2-CD1 3.67Å; F242-I280 HydrophobicContact CE2-CG1 3.5Å; F242-I280 VanDerWaalsContact CE2-CG1 3.5Å; F242-I280 HydrophobicContact CG-CD1 3.85Å; F242-I280 HydrophobicContact CZ-CD1 3.92Å; F242-I280 HydrophobicContact CZ-CG1 3.87Å; F242-I285 HydrophobicContact CE1-CD1 4.37Å; F242-I285 HydrophobicContact CE1-CG1 4.36Å; F242-I285 HydrophobicContact CZ-CD1 4.38Å; F242-I285 HydrophobicContact CZ-CG1 3.92Å; F242-I285 HydrophobicContact CZ-CG2 3.94Å |
| 243 | D | 94.6 | Very high | 94.5 | Very high | 97 Ų | 97 | 60.2 Ų | 60.2 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -88.1 | -6.1 | -178 | -60.5 | -60.3 | 0 | 0 | 0 | 113.3 | P240 K241 K252 | P240-D243 PolarHBondContact O-N 3.21Å; K241-D243 PolarHBondContact O-N 3.37Å; D243-K252 WeakPolarHBondContact OD1-CD 3.17Å; D243-K252 IonicContact OD1-NZ 3.3Å; D243-K252 PolarHBondContact OD1-NZ 3.14Å; D243-K252 IonicContact OD2-NZ 2.77Å; D243-K252 PolarHBondContact OD2-NZ 2.88Å |
| 244 | K | 94.1 | Very high | 94.7 | Very high | 170 Ų | 170 | 56.7 Ų | 56.7 | 74% | 0.739 | 30% | 0.3 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | -34 | -176.9 | -63.6 | -172.5 | -179.7 | -172 | 0 | 114.1 | K241 | K241-K244 PolarHBondContact O-N 3.42Š|
| 245 | E | 92.3 | Very high | 94.8 | Very high | 75 Ų | 75 | 56 Ų | 56 | 35% | 0.35 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -115.6 | 134.5 | -177.8 | -60.6 | -177 | -178.9 | 0 | 0 | 110.5 | Q247 Y248 A249 | E245-Q247 VanDerWaalsContact C-N 3.29Å; E245-Q247 HydrophobicContact CB-CG 4.25Å; E245-Q247 PolarHBondContact O-N 2.79Å; E245-Q247 PolarHBondContact OE2-NE2 2.93Å; E245-Y248 HydrophobicContact CB-CD2 3.88Å; E245-Y248 HydrophobicContact CG-CD2 4.22Å; E245-Y248 PolarHBondContact O-N 2.93Å; E245-Y248 VanDerWaalsContact OE2-CD2 3.28Å; E245-Y248 WeakPolarHBondContact OE2-CD2 3.37Å; E245-Y248 WeakPolarHBondContact OE2-CE2 3.43Å; E245-A249 PolarHBondContact O-N 3.12Å |
| 246 | P | 93.2 | Very high | 94.9 | Very high | 101 Ų | 101 | 54.2 Ų | 54.2 | 66% | 0.656 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -63.4 | -33.2 | -175.1 | 25.4 | -34.2 | 0 | 0 | 0 | 112.7 | Y248 A249 L250 | P246-Y248 VanDerWaalsContact C-N 3.29Å; P246-Y248 PolarHBondContact O-N 3.39Å; P246-A249 PolarHBondContact O-N 3.28Å; P246-L250 PolarHBondContact O-N 3.05Å; P246-L250 VanDerWaalsContact O-N 3.08Å |
| 247 | Q | 93 | Very high | 94.7 | Very high | 38 Ų | 38 | 54.6 Ų | 54.6 | 18% | 0.178 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -60.6 | -36.4 | 172.2 | 56.5 | -90.3 | 16.5 | 0 | 0 | 112.7 | E245 L251 I313 Y324 | E245-Q247 VanDerWaalsContact C-N 3.29Å; E245-Q247 HydrophobicContact CB-CG 4.25Å; E245-Q247 PolarHBondContact O-N 2.79Å; E245-Q247 PolarHBondContact OE2-NE2 2.93Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.38Å; Q247-L251 PolarHBondContact O-N 2.91Å; Q247-I313 HydrophobicContact CB-CD1 4.07Å; Q247-Y324 HydrophobicContact CB-CD1 4.28Å; Q247-Y324 HydrophobicContact CB-CD2 4.08Å; Q247-Y324 HydrophobicContact CB-CE1 4.47Å; Q247-Y324 HydrophobicContact CB-CE2 4.27Å; Q247-Y324 HydrophobicContact CB-CG 4.08Å; Q247-Y324 HydrophobicContact CG-CD2 4.32Å; Q247-Y324 HydrophobicContact CG-CE1 4.4Å; Q247-Y324 HydrophobicContact CG-CE2 4Å |
| 248 | Y | 94.9 | Very high | 94.6 | Very high | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.027 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -81.7 | -34.6 | 178.5 | -67.2 | -50.2 | 0 | 0 | 0 | 111.7 | F242 E245 P246 L250 L251 K252 I280 N283 I285 | F242-Y248 WeakPolarHBondContact CD1-O 3.22Å; F242-Y248 CarbonylContact O-C 3.51Å; F242-Y248 VanDerWaalsContact O-C 3.29Å; E245-Y248 HydrophobicContact CB-CD2 3.88Å; E245-Y248 HydrophobicContact CG-CD2 4.22Å; E245-Y248 PolarHBondContact O-N 2.93Å; E245-Y248 VanDerWaalsContact OE2-CD2 3.28Å; E245-Y248 WeakPolarHBondContact OE2-CD2 3.37Å; E245-Y248 WeakPolarHBondContact OE2-CE2 3.43Å; P246-Y248 VanDerWaalsContact C-N 3.29Å; P246-Y248 PolarHBondContact O-N 3.39Å; Y248-L250 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 2.98Å; Y248-L251 HydrophobicContact CD1-CD1 4.28Å; Y248-L251 CarbonylContact O-C 3.57Å; Y248-L251 WeakPolarHBondContact O-CA 3.4Å; Y248-L251 PolarHBondContact O-N 2.93Å; Y248-K252 PolarHBondContact O-N 3.11Å; Y248-I280 HydrophobicContact CD1-CD1 3.89Å; Y248-I280 HydrophobicContact CD2-CD1 3.76Å; Y248-I280 HydrophobicContact CE1-CD1 4.14Å; Y248-I280 HydrophobicContact CE2-CD1 4.02Å; Y248-I280 HydrophobicContact CE2-CG2 4.37Å; Y248-I280 HydrophobicContact CG-CD1 3.72Å; Y248-N283 PolarHBondContact OH-O 3.37Å; Y248-I285 HydrophobicContact CD1-CD1 4.36Å; Y248-I285 HydrophobicContact CE1-CD1 4.18Å; Y248-I285 HydrophobicContact CE1-CG1 4.43Å |
| 249 | A | 95.6 | Very high | 94.5 | Very high | 36 Ų | 36 | 50.2 Ų | 50.2 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -59.3 | -44.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | F242 E245 P246 L251 K252 E253 | F242-A249 WeakPolarHBondContact O-CA 3.27Å; F242-A249 PolarHBondContact O-N 3.06Å; E245-A249 PolarHBondContact O-N 3.12Å; P246-A249 PolarHBondContact O-N 3.28Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.21Å; A249-K252 WeakPolarHBondContact O-CB 3.41Å; A249-K252 PolarHBondContact O-N 2.89Å; A249-E253 PolarHBondContact O-N 2.85Å; A249-E253 VanDerWaalsContact O-N 3.15Å |
| 250 | L | 94.5 | Very high | 94.3 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 31% | 0.314 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -61.5 | -37.6 | 173.7 | -177 | 151 | 0 | 0 | 0 | 112.3 | P207 P246 Y248 L254 I313 | P207-L250 HydrophobicContact CB-CD2 4.42Å; P207-L250 HydrophobicContact CG-CD2 4.11Å; P207-L250 HydrophobicContact CG-CG 4.48Å; P246-L250 PolarHBondContact O-N 3.05Å; P246-L250 VanDerWaalsContact O-N 3.08Å; Y248-L250 VanDerWaalsContact C-N 3.34Å; Y248-L250 PolarHBondContact O-N 2.98Å; L250-L254 WeakPolarHBondContact O-CB 3.3Å; L250-L254 PolarHBondContact O-N 2.85Å; L250-I313 HydrophobicContact CD2-CD1 4.42Å; L250-I313 HydrophobicContact CD2-CG2 3.97Å |
| 251 | L | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -72.5 | -33.1 | 176.4 | -70.4 | -177.5 | 0 | 0 | 0 | 113.3 | A209 F211 Q247 Y248 A249 L254 F255 I285 L310 I313 | A209-L251 HydrophobicContact CB-CD2 3.48Å; A209-L251 VanDerWaalsContact CB-CD2 3.48Å; F211-L251 HydrophobicContact CE1-CD1 3.95Å; F211-L251 HydrophobicContact CZ-CD1 3.91Å; F211-L251 HydrophobicContact CZ-CD2 3.72Å; F211-L251 HydrophobicContact CZ-CG 4.43Å; Q247-L251 VanDerWaalsContact O-CG 3.28Å; Q247-L251 WeakPolarHBondContact O-CG 3.38Å; Q247-L251 PolarHBondContact O-N 2.91Å; Y248-L251 HydrophobicContact CD1-CD1 4.28Å; Y248-L251 CarbonylContact O-C 3.57Å; Y248-L251 WeakPolarHBondContact O-CA 3.4Å; Y248-L251 PolarHBondContact O-N 2.93Å; A249-L251 VanDerWaalsContact C-N 3.3Å; A249-L251 PolarHBondContact O-N 3.21Å; L251-L254 HydrophobicContact CD2-CD2 4.13Å; L251-L254 PolarHBondContact O-N 2.97Å; L251-F255 HydrophobicContact CB-CE2 4.33Å; L251-F255 HydrophobicContact CB-CZ 4.31Å; L251-F255 WeakPolarHBondContact O-CB 3.21Å; L251-F255 WeakPolarHBondContact O-CD1 3.37Å; L251-F255 WeakPolarHBondContact O-CD2 3.28Å; L251-F255 WeakPolarHBondContact O-CG 3.29Å; L251-F255 PolarHBondContact O-N 2.84Å; L251-I285 HydrophobicContact CD1-CD1 4.08Å; L251-L310 HydrophobicContact CD1-CD1 4.06Å; L251-L310 HydrophobicContact CD1-CD2 3.87Å; L251-L310 HydrophobicContact CD1-CG 4.49Å; L251-I313 HydrophobicContact CD2-CD1 4.37Å; L251-I313 HydrophobicContact CG-CD1 4.28Å |
| 252 | K | 96.1 | Very high | 93.8 | Very high | 40 Ų | 40 | 41.9 Ų | 41.9 | 17% | 0.174 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -59.4 | -51.5 | 173.5 | 179.9 | 177.2 | 172.2 | -175.1 | 0 | 109.7 | F238 F242 D243 Y248 A249 L254 F255 I256 | F238-K252 HydrophobicContact CD1-CG 4Å; F238-K252 HydrophobicContact CD2-CG 4.26Å; F238-K252 HydrophobicContact CE1-CG 4.11Å; F238-K252 HydrophobicContact CE2-CG 4.35Å; F238-K252 HydrophobicContact CG-CD 4.4Å; F238-K252 HydrophobicContact CG-CG 4.09Å; F238-K252 HydrophobicContact CZ-CG 4.29Å; F242-K252 HydrophobicContact CB-CB 4.26Å; F242-K252 HydrophobicContact CB-CD 3.97Å; F242-K252 HydrophobicContact CD1-CB 3.96Å; F242-K252 HydrophobicContact CG-CB 4.41Å; D243-K252 WeakPolarHBondContact OD1-CD 3.17Å; D243-K252 IonicContact OD1-NZ 3.3Å; D243-K252 PolarHBondContact OD1-NZ 3.14Å; D243-K252 IonicContact OD2-NZ 2.77Å; D243-K252 PolarHBondContact OD2-NZ 2.88Å; Y248-K252 PolarHBondContact O-N 3.11Å; A249-K252 WeakPolarHBondContact O-CB 3.41Å; A249-K252 PolarHBondContact O-N 2.89Å; K252-L254 PolarHBondContact O-N 2.9Å; K252-F255 PolarHBondContact O-N 2.9Å; K252-I256 HydrophobicContact CG-CD1 3.95Å; K252-I256 VanDerWaalsContact O-CG1 3.27Å; K252-I256 WeakPolarHBondContact O-CG1 2.69Å; K252-I256 PolarHBondContact O-N 2.87Å |
| 253 | E | 94.2 | Very high | 93.4 | Very high | 98 Ų | 98 | 45.8 Ų | 45.8 | 46% | 0.458 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -60.1 | -44.8 | 175.1 | -70.7 | -53.9 | 126.4 | 0 | 0 | 112.9 | A249 F255 I256 Q257 | A249-E253 PolarHBondContact O-N 2.85Å; A249-E253 VanDerWaalsContact O-N 3.15Å; E253-F255 VanDerWaalsContact C-N 3.3Å; E253-F255 PolarHBondContact O-N 2.97Å; E253-I256 PolarHBondContact O-N 2.68Å; E253-Q257 WeakPolarHBondContact O-CG 3.07Å; E253-Q257 PolarHBondContact O-N 2.87Å |
| 254 | L | 94.9 | Very high | 92.9 | Very high | 4 Ų | 4 | 44.1 Ų | 44.1 | 2% | 0.021 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -37.4 | 177 | -173.6 | 65 | 0 | 0 | 0 | 112.2 | I200 N202 A209 L250 L251 K252 T258 | I200-L254 HydrophobicContact CB-CD2 4.1Å; I200-L254 HydrophobicContact CG2-CD1 4.23Å; I200-L254 HydrophobicContact CG2-CD2 3.96Å; I200-L254 HydrophobicContact CG2-CG 3.84Å; N202-L254 WeakPolarHBondContact OD1-CD1 3.37Å; A209-L254 HydrophobicContact CB-CD2 3.82Å; L250-L254 WeakPolarHBondContact O-CB 3.3Å; L250-L254 PolarHBondContact O-N 2.85Å; L251-L254 HydrophobicContact CD2-CD2 4.13Å; L251-L254 PolarHBondContact O-N 2.97Å; K252-L254 PolarHBondContact O-N 2.9Å; L254-T258 VanDerWaalsContact O-CB 3.29Å; L254-T258 WeakPolarHBondContact O-CB 3.44Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 2.97Å |
| 255 | F | 95.7 | Very high | 92.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -74.4 | -39.3 | 176.7 | -65.7 | -14.2 | 0 | 0 | 0 | 112.1 | I200 F211 F238 F242 L251 K252 E253 T258 F259 F278 I285 L308 | I200-F255 HydrophobicContact CD1-CD1 3.97Å; I200-F255 HydrophobicContact CD1-CE1 3.65Å; F211-F255 HydrophobicContact CE1-CZ 4.16Å; F211-F255 HydrophobicContact CE2-CE1 4.04Å; F211-F255 HydrophobicContact CE2-CZ 4.3Å; F211-F255 AromaticContact CZ-CE1 3.77Å; F211-F255 HydrophobicContact CZ-CE1 3.77Å; F211-F255 AromaticContact CZ-CZ 3.64Å; F211-F255 HydrophobicContact CZ-CZ 3.64Å; F238-F255 HydrophobicContact CE1-CB 4.12Å; F238-F255 HydrophobicContact CE1-CD2 4.24Å; F238-F255 HydrophobicContact CZ-CB 4.21Å; F242-F255 HydrophobicContact CE1-CD2 4.36Å; F242-F255 HydrophobicContact CE1-CE2 4.15Å; F242-F255 HydrophobicContact CZ-CE2 4.35Å; L251-F255 HydrophobicContact CB-CE2 4.33Å; L251-F255 HydrophobicContact CB-CZ 4.31Å; L251-F255 WeakPolarHBondContact O-CB 3.21Å; L251-F255 WeakPolarHBondContact O-CD1 3.37Å; L251-F255 WeakPolarHBondContact O-CD2 3.28Å; L251-F255 WeakPolarHBondContact O-CG 3.29Å; L251-F255 PolarHBondContact O-N 2.84Å; K252-F255 PolarHBondContact O-N 2.9Å; E253-F255 VanDerWaalsContact C-N 3.3Å; E253-F255 PolarHBondContact O-N 2.97Å; F255-T258 PolarHBondContact O-N 2.84Å; F255-F259 HydrophobicContact CB-CD2 4Å; F255-F259 HydrophobicContact CB-CE2 4.4Å; F255-F259 HydrophobicContact CD1-CD2 4.47Å; F255-F259 HydrophobicContact CD1-CE2 4.04Å; F255-F259 HydrophobicContact CG-CD2 4.39Å; F255-F259 HydrophobicContact CG-CE2 4.29Å; F255-F259 WeakPolarHBondContact O-CB 3.27Å; F255-F259 WeakPolarHBondContact O-CD2 3.41Å; F255-F259 PolarHBondContact O-N 2.9Å; F255-F278 HydrophobicContact CB-CE1 4.3Å; F255-F278 HydrophobicContact CB-CZ 4.28Å; F255-F278 AromaticContact CD2-CD1 3.73Å; F255-F278 HydrophobicContact CD2-CD1 3.73Å; F255-F278 AromaticContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CG 4.45Å; F255-F278 HydrophobicContact CD2-CZ 4.49Å; F255-F278 HydrophobicContact CE2-CD1 4.09Å; F255-F278 HydrophobicContact CE2-CE1 4.29Å; F255-F278 HydrophobicContact CG-CE1 4.09Å; F255-I285 HydrophobicContact CE2-CD1 4.03Å; F255-I285 HydrophobicContact CE2-CG2 4.12Å; F255-I285 HydrophobicContact CZ-CD1 4.14Å; F255-L308 HydrophobicContact CZ-CD1 4.15Å |
| 256 | I | 94.5 | Very high | 92.3 | Very high | 51 Ų | 51 | 37 Ų | 37 | 26% | 0.262 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -55 | -55.7 | 173.1 | -70.8 | 163.4 | 0 | 0 | 0 | 109.2 | L236 F238 K252 E253 T258 S260 | L236-I256 HydrophobicContact CD1-CB 4.4Å; L236-I256 HydrophobicContact CD1-CG1 4.2Å; F238-I256 HydrophobicContact CE2-CD1 4.13Å; F238-I256 HydrophobicContact CE2-CG1 3.62Å; F238-I256 HydrophobicContact CZ-CD1 4.47Å; F238-I256 HydrophobicContact CZ-CG1 3.72Å; K252-I256 HydrophobicContact CG-CD1 3.95Å; K252-I256 VanDerWaalsContact O-CG1 3.27Å; K252-I256 WeakPolarHBondContact O-CG1 2.69Å; K252-I256 PolarHBondContact O-N 2.87Å; E253-I256 PolarHBondContact O-N 2.68Å; I256-T258 PolarHBondContact O-N 3.03Å; I256-T258 VanDerWaalsContact O-N 3.11Å; I256-S260 WeakPolarHBondContact O-CA 3.49Å; I256-S260 WeakPolarHBondContact O-CB 3.28Å; I256-S260 PolarHBondContact O-N 3.04Å |
| 257 | Q | 92.4 | Very high | 92.1 | Very high | 55 Ų | 55 | 39.2 Ų | 39.2 | 26% | 0.257 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -70.5 | -7.8 | -177.4 | -56.6 | 171.1 | 15.2 | 0 | 0 | 114.7 | K184 N202 E253 | K184-Q257 VanDerWaalsContact CE-O 3.26Å; K184-Q257 WeakPolarHBondContact CE-O 3.29Å; N202-Q257 PolarHBondContact ND2-OE1 2.96Å; N202-Q257 VanDerWaalsContact ND2-OE1 3.11Å; E253-Q257 WeakPolarHBondContact O-CG 3.07Å; E253-Q257 PolarHBondContact O-N 2.87Å |
| 258 | T | 94.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -104.6 | -46 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 112.1 | V132 H157 L186 I200 L254 F255 I256 | V132-T258 HydrophobicContact CG1-CG2 4.19Å; V132-T258 HydrophobicContact CG2-CG2 4.35Å; V132-T258 WeakPolarHBondContact CG2-O 3.45Å; H157-T258 PolarHBondContact NE2-O 2.89Å; L186-T258 HydrophobicContact CD1-CG2 3.98Å; L186-T258 HydrophobicContact CD2-CG2 3.86Å; L186-T258 HydrophobicContact CG-CG2 3.89Å; I200-T258 HydrophobicContact CG2-CG2 4.15Å; L254-T258 VanDerWaalsContact O-CB 3.29Å; L254-T258 WeakPolarHBondContact O-CB 3.44Å; L254-T258 PolarHBondContact O-N 2.87Å; L254-T258 PolarHBondContact O-OG1 2.97Å; F255-T258 PolarHBondContact O-N 2.84Å; I256-T258 PolarHBondContact O-N 3.03Å; I256-T258 VanDerWaalsContact O-N 3.11Å |
| 259 | F | 94.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.009 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -94.9 | -19.4 | -175.2 | -65.9 | -78.5 | 0 | 0 | 0 | 113.6 | L151 M155 I200 L236 F255 Y276 F278 | L151-F259 HydrophobicContact CD2-CE1 4.12Å; M155-F259 HydrophobicContact CE-CD1 4.46Å; M155-F259 HydrophobicContact SD-CD1 3.68Å; M155-F259 HydrophobicContact SD-CE1 4.32Å; M155-F259 HydrophobicContact SD-CG 4.45Å; I200-F259 HydrophobicContact CD1-CE2 4.24Å; I200-F259 HydrophobicContact CD1-CZ 4.47Å; L236-F259 HydrophobicContact CD2-CB 4.29Å; F255-F259 HydrophobicContact CB-CD2 4Å; F255-F259 HydrophobicContact CB-CE2 4.4Å; F255-F259 HydrophobicContact CD1-CD2 4.47Å; F255-F259 HydrophobicContact CD1-CE2 4.04Å; F255-F259 HydrophobicContact CG-CD2 4.39Å; F255-F259 HydrophobicContact CG-CE2 4.29Å; F255-F259 WeakPolarHBondContact O-CB 3.27Å; F255-F259 WeakPolarHBondContact O-CD2 3.41Å; F255-F259 PolarHBondContact O-N 2.9Å; F259-Y276 HydrophobicContact CB-CD2 4.01Å; F259-Y276 HydrophobicContact CB-CE2 4.19Å; F259-F278 HydrophobicContact CB-CZ 4.41Å; F259-F278 HydrophobicContact CD2-CE1 4.16Å; F259-F278 AromaticContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CE2-CE1 4.14Å; F259-F278 HydrophobicContact CE2-CZ 4.14Å; F259-F278 HydrophobicContact CG-CZ 4.08Å |
| 260 | S | 91.6 | Very high | 91 | Very high | 39 Ų | 39 | 42.7 Ų | 42.7 | 27% | 0.273 | 22% | 0.215 | S | C | . | . | S | Bend | trans | -63.5 | 140.9 | 168.7 | -174.3 | 0 | 0 | 0 | 0 | 110.1 | H157 I256 | H157-S260 PolarHBondContact CE1-O 3.2Å; H157-S260 PolarHBondContact NE2-O 2.87Å; I256-S260 WeakPolarHBondContact O-CA 3.49Å; I256-S260 WeakPolarHBondContact O-CB 3.28Å; I256-S260 PolarHBondContact O-N 3.04Å |
| 261 | T | 89.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 45.5 Ų | 45.5 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -95.3 | 124 | 171.8 | 57.1 | 0 | 0 | 0 | 0 | 109.2 | P156 R233 P234 | P156-T261 HydrophobicContact CG-CG2 3.88Å; R233-T261 WeakPolarHBondContact CA-OG1 3.39Å; R233-T261 WeakPolarHBondContact CG-OG1 3.42Å; P234-T261 WeakPolarHBondContact CD-OG1 2.95Å; P234-T261 HydrophobicContact CG-CG2 4.21Å |
| 262 | P | 89.2 | Confident | 90.2 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.026 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -62.4 | 142 | -176.1 | 21.1 | -29.6 | 0 | 0 | 0 | 111.9 | N128 E130 H157 H265 | N128-P262 WeakPolarHBondContact O-CB 3.12Å; E130-P262 HydrophobicContact CB-CG 4.32Å; H157-P262 HydrophobicContact CB-CG 4.1Å; P262-H265 HydrophobicContact CG-CB 4.24Å; P262-H265 WeakPolarHBondContact O-CB 3.41Å; P262-H265 PolarHBondContact O-N 3.23Å |
| 263 | H | 86.1 | Confident | 90 | Very high | 82 Ų | 82 | 47.3 Ų | 47.3 | 38% | 0.38 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.4 | 138.7 | -176.9 | -164.8 | 44.8 | 0 | 0 | 0 | 111.1 | R233 H265 | R233-H263 PolarHBondContact NH1-ND1 2.7Å; H263-H265 VanDerWaalsContact C-N 3.27Å; H263-H265 PolarHBondContact O-N 3.05Å |
| 264 | Y | 85.3 | Confident | 89.9 | Confident | 62 Ų | 62 | 42.6 Ų | 42.6 | 24% | 0.243 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | 31.9 | -172.8 | -53.1 | -64.3 | 0 | 0 | 0 | 115 | V121 S122 K125 | V121-Y264 HydrophobicContact CB-CD1 3.88Å; V121-Y264 HydrophobicContact CB-CE1 4.06Å; V121-Y264 HydrophobicContact CG2-CD1 3.75Å; V121-Y264 HydrophobicContact CG2-CE1 4.24Å; V121-Y264 WeakPolarHBondContact O-CD1 3.21Å; S122-Y264 VanDerWaalsContact CB-O 3.25Å; S122-Y264 WeakPolarHBondContact CB-O 3.33Å; K125-Y264 HydrophobicContact CB-CD2 3.47Å; K125-Y264 VanDerWaalsContact CB-CD2 3.47Å; K125-Y264 HydrophobicContact CB-CE2 3.59Å; K125-Y264 HydrophobicContact CB-CG 4.17Å; K125-Y264 HydrophobicContact CD-CE2 3.97Å; K125-Y264 HydrophobicContact CG-CE2 4.41Å; K125-Y264 WeakPolarHBondContact O-CD2 3.48Å |
| 265 | H | 87.3 | Confident | 89.9 | Confident | 21 Ų | 21 | 43.2 Ų | 43.2 | 10% | 0.097 | 22% | 0.221 | C | C | . | . | trans | -62.7 | 137.6 | 168.8 | -176.1 | -100.2 | 0 | 0 | 0 | 110 | W126 P156 P262 H263 K267 S268 | W126-H265 AromaticContact CH2-CD2 3.98Å; W126-H265 AromaticContact CZ2-CD2 3.68Å; P156-H265 PolarHBondContact O-CE1 2.61Å; P262-H265 HydrophobicContact CG-CB 4.24Å; P262-H265 WeakPolarHBondContact O-CB 3.41Å; P262-H265 PolarHBondContact O-N 3.23Å; H263-H265 VanDerWaalsContact C-N 3.27Å; H263-H265 PolarHBondContact O-N 3.05Å; H265-K267 PolarHBondContact ND1-N 3.14Å; H265-K267 PolarHBondContact O-N 3.06Å; H265-S268 PolarHBondContact N-OG 3.34Å; H265-S268 PolarHBondContact O-N 3.34Å; H265-S268 PolarHBondContact O-OG 3.33Å | ||
| 266 | P | 86.7 | Confident | 89.9 | Confident | 75 Ų | 75 | 43.3 Ų | 43.3 | 49% | 0.487 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -13 | -174.9 | -27.6 | 35.8 | 0 | 0 | 0 | 116.1 | W126 | W126-P266 HydrophobicContact CE3-CG 4.41Å; W126-P266 HydrophobicContact CZ3-CG 4.35Å |
| 267 | K | 88.1 | Confident | 90 | Very high | 147 Ų | 147 | 41.8 Ų | 41.8 | 64% | 0.639 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 4.6 | 175.2 | -54.4 | -179.1 | -177.7 | 177.9 | 0 | 113.8 | P156 H265 | P156-K267 HydrophobicContact CB-CB 3.92Å; H265-K267 PolarHBondContact ND1-N 3.14Å; H265-K267 PolarHBondContact O-N 3.06Å |
| 268 | S | 88.9 | Confident | 90.2 | Very high | 15 Ų | 15 | 39.2 Ų | 39.2 | 11% | 0.105 | 20% | 0.202 | C | C | . | . | trans | -85.1 | 132.1 | 176.3 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | G231 H265 | G231-S268 CarbonylContact O-C 3.5Å; G231-S268 WeakPolarHBondContact O-CA 3.43Å; H265-S268 PolarHBondContact N-OG 3.34Å; H265-S268 PolarHBondContact O-N 3.34Å; H265-S268 PolarHBondContact O-OG 3.33Å | ||
| 269 | Q | 87.6 | Confident | 90.3 | Very high | 74 Ų | 74 | 41.7 Ų | 41.7 | 35% | 0.346 | 22% | 0.22 | S | C | . | . | trans | -75.6 | 152 | 167.4 | -63.2 | -62.3 | -10.2 | 0 | 0 | 110.2 | G231 F271 | G231-Q269 PolarHBondContact O-N 2.64Å; Q269-F271 VanDerWaalsContact C-N 3.32Å | ||
| 270 | P | 85.1 | Confident | 90.4 | Very high | 64 Ų | 64 | 42.1 Ų | 42.1 | 42% | 0.416 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70.8 | -29.5 | -179.9 | 28 | -33.8 | 0 | 0 | 0 | 112.6 | ||
| 271 | F | 85.1 | Confident | 90.5 | Very high | 120 Ų | 120 | 42.4 Ų | 42.4 | 53% | 0.526 | 23% | 0.226 | S | C | . | . | trans | -71.9 | 154.4 | -175.4 | -54.2 | -71.1 | 0 | 0 | 0 | 113.7 | L229 S232 R233 Q269 | L229-F271 HydrophobicContact CD1-CB 4.37Å; L229-F271 HydrophobicContact CD1-CD2 4.45Å; S232-F271 WeakPolarHBondContact CB-O 3.38Å; R233-F271 PolarHBondContact N-O 3.21Å; Q269-F271 VanDerWaalsContact C-N 3.32Å | ||
| 272 | V | 88.3 | Confident | 90.6 | Very high | 53 Ų | 53 | 48.5 Ų | 48.5 | 32% | 0.321 | 26% | 0.259 | S | S | . | . | trans | -118.5 | 104.8 | 179.7 | 176 | 0 | 0 | 0 | 0 | 107.5 | L235 I292 | L235-V272 HydrophobicContact CD1-CG1 3.91Å; L235-V272 HydrophobicContact CD2-CG1 3.86Å; L235-V272 HydrophobicContact CG-CG1 3.52Å; V272-I292 HydrophobicContact CG1-CD1 4.25Å | ||
| 273 | D | 90.8 | Very high | 90.7 | Very high | 24 Ų | 24 | 51.6 Ų | 51.6 | 13% | 0.128 | 28% | 0.275 | C | S | . | . | trans | -117.1 | -17.4 | -167.9 | 177.1 | 29 | 0 | 0 | 0 | 111.9 | C228 L229 I292 | C228-D273 WeakPolarHBondContact CA-OD2 3.43Å; C228-D273 WeakPolarHBondContact CB-OD2 3.48Å; L229-D273 PolarHBondContact N-OD2 2.75Å; D273-I292 PolarHBondContact O-N 3.22Å | ||
| 274 | H | 92.9 | Very high | 91.1 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 158.3 | -176 | 67.7 | -79.9 | 0 | 0 | 0 | 114.8 | C228 S232 P234 L235 Y276 N289 Y290 I302 | C228-H274 HydrophobicContact CB-CB 4.16Å; S232-H274 PolarHBondContact O-CE1 3.42Å; S232-H274 PolarHBondContact OG-CE1 2.96Å; S232-H274 PolarHBondContact OG-ND1 2.88Å; P234-H274 WeakPolarHBondContact CA-O 3.43Å; P234-H274 WeakPolarHBondContact CB-NE2 3.26Å; L235-H274 PolarHBondContact N-O 2.94Å; H274-Y276 AromaticContact CD2-CE1 3.38Å; H274-Y276 WeakPolarHBondContact CD2-CE1 3.35Å; H274-Y276 AromaticContact CD2-CZ 3.93Å; H274-Y276 AromaticContact NE2-CE1 3.06Å; H274-Y276 WeakPolarHBondContact NE2-CE1 3.26Å; H274-Y276 AromaticContact NE2-CE2 3.85Å; H274-Y276 AromaticContact NE2-CZ 2.8Å; H274-Y276 PolarHBondContact NE2-OH 3.02Å; H274-N289 PolarHBondContact CD2-OD1 3.28Å; H274-N289 VanDerWaalsContact CD2-OD1 3.24Å; H274-Y290 CarbonylContact C-O 3.47Å; H274-Y290 WeakPolarHBondContact CA-O 3.47Å; H274-Y290 VanDerWaalsContact CB-O 3.27Å; H274-Y290 WeakPolarHBondContact CB-O 3.08Å; H274-I302 HydrophobicContact CB-CD1 3.81Å |
| 275 | V | 94.5 | Very high | 91.6 | Very high | 17 Ų | 17 | 49 Ų | 49 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 124.7 | -176.7 | -170.9 | 0 | 0 | 0 | 0 | 110 | L235 T277 N289 Y290 I292 | L235-V275 HydrophobicContact CB-CG1 4.18Å; L235-V275 HydrophobicContact CB-CG2 4.21Å; L235-V275 HydrophobicContact CD1-CG2 4.39Å; L235-V275 CarbonylContact O-C 3.29Å; L235-V275 WeakPolarHBondContact O-CA 3.2Å; V275-T277 HydrophobicContact CG1-CG2 4.12Å; V275-N289 WeakPolarHBondContact O-CA 3.49Å; V275-N289 PolarHBondContact O-OD1 2.77Å; V275-Y290 PolarHBondContact N-O 2.92Å; V275-Y290 PolarHBondContact O-N 3.21Å; V275-I292 HydrophobicContact CG2-CD1 3.77Å; V275-I292 HydrophobicContact CG2-CG1 3.73Å |
| 276 | Y | 95.8 | Very high | 92 | Very high | 1 Ų | 1 | 51 Ų | 51 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 126.2 | 163.5 | -59.7 | -22.7 | 0 | 0 | 0 | 109.6 | M154 P234 L235 L236 S237 F259 H274 F287 N289 | M154-Y276 WeakPolarHBondContact CB-OH 3.39Å; M154-Y276 HydrophobicContact SD-CE1 4.22Å; P234-Y276 HydrophobicContact CB-CD1 4.34Å; P234-Y276 HydrophobicContact CB-CD2 3.78Å; P234-Y276 HydrophobicContact CB-CE1 4.18Å; P234-Y276 HydrophobicContact CB-CE2 3.59Å; P234-Y276 HydrophobicContact CB-CG 4.12Å; P234-Y276 HydrophobicContact CG-CD2 4.01Å; P234-Y276 HydrophobicContact CG-CE2 3.5Å; P234-Y276 VanDerWaalsContact CG-CE2 3.5Å; L235-Y276 PolarHBondContact O-N 2.79Å; L236-Y276 HydrophobicContact CD2-CD2 3.57Å; L236-Y276 HydrophobicContact CD2-CE2 4.47Å; L236-Y276 HydrophobicContact CD2-CG 4.21Å; S237-Y276 PolarHBondContact N-O 3.14Å; F259-Y276 HydrophobicContact CB-CD2 4.01Å; F259-Y276 HydrophobicContact CB-CE2 4.19Å; H274-Y276 AromaticContact CD2-CE1 3.38Å; H274-Y276 WeakPolarHBondContact CD2-CE1 3.35Å; H274-Y276 AromaticContact CD2-CZ 3.93Å; H274-Y276 AromaticContact NE2-CE1 3.06Å; H274-Y276 WeakPolarHBondContact NE2-CE1 3.26Å; H274-Y276 AromaticContact NE2-CE2 3.85Å; H274-Y276 AromaticContact NE2-CZ 2.8Å; H274-Y276 PolarHBondContact NE2-OH 3.02Å; Y276-F287 HydrophobicContact CD1-CE2 4.13Å; Y276-F287 AromaticContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD2-CE2 4.16Å; Y276-F287 HydrophobicContact CD2-CZ 4.3Å; Y276-F287 HydrophobicContact CE1-CZ 4.12Å; Y276-F287 AromaticContact CG-CE2 3.77Å; Y276-F287 HydrophobicContact CG-CE2 3.77Å; Y276-F287 AromaticContact CG-CZ 3.8Å; Y276-F287 HydrophobicContact CG-CZ 3.8Å; Y276-N289 HydrophobicContact CD1-CB 4.12Å; Y276-N289 WeakPolarHBondContact CD1-OD1 3.49Å; Y276-N289 HydrophobicContact CE1-CB 4.36Å |
| 277 | T | 96.1 | Very high | 92.5 | Very high | 19 Ų | 19 | 47.4 Ų | 47.4 | 12% | 0.117 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 131 | 177.9 | 54.8 | 0 | 0 | 0 | 0 | 109.9 | S237 V275 F287 R288 Y290 | S237-T277 WeakPolarHBondContact O-CA 3.4Å; V275-T277 HydrophobicContact CG1-CG2 4.12Å; T277-F287 WeakPolarHBondContact O-CA 3.46Å; T277-R288 PolarHBondContact N-O 2.89Å; T277-R288 PolarHBondContact O-N 3.02Å; T277-R288 VanDerWaalsContact O-N 3.16Å; T277-R288 WeakPolarHBondContact OG1-CB 3.24Å; T277-R288 PolarHBondContact OG1-O 2.68Å; T277-R288 VanDerWaalsContact OG1-O 3.05Å; T277-Y290 HydrophobicContact CG2-CD2 3.74Å; T277-Y290 HydrophobicContact CG2-CE2 3.91Å; T277-Y290 WeakPolarHBondContact OG1-CE2 3.17Å |
| 278 | F | 97.2 | Very high | 92.9 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 0% | 0.004 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 105.7 | 174.9 | -61.3 | -92.6 | 0 | 0 | 0 | 108.6 | L236 S237 F238 D239 F242 F255 F259 I285 W286 F287 | L236-F278 HydrophobicContact CD2-CE2 4.42Å; S237-F278 PolarHBondContact O-N 3.19Å; F238-F278 HydrophobicContact CD1-CB 3.71Å; F238-F278 AromaticContact CD1-CD2 3.85Å; F238-F278 HydrophobicContact CD1-CD2 3.85Å; F238-F278 AromaticContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CD1-CG 3.96Å; F238-F278 HydrophobicContact CE1-CB 4.01Å; F238-F278 HydrophobicContact CE1-CD1 4.44Å; F238-F278 AromaticContact CE1-CD2 3.45Å; F238-F278 HydrophobicContact CE1-CD2 3.45Å; F238-F278 VanDerWaalsContact CE1-CD2 3.45Å; F238-F278 AromaticContact CE1-CE2 3.97Å; F238-F278 HydrophobicContact CE1-CE2 3.97Å; F238-F278 AromaticContact CE1-CG 3.73Å; F238-F278 HydrophobicContact CE1-CG 3.73Å; F238-F278 AromaticContact CZ-CD2 3.84Å; F238-F278 HydrophobicContact CZ-CD2 3.84Å; F238-F278 AromaticContact CZ-CE2 3.99Å; F238-F278 HydrophobicContact CZ-CE2 3.99Å; D239-F278 PolarHBondContact N-O 2.96Å; F242-F278 HydrophobicContact CE2-CB 3.76Å; F242-F278 WeakPolarHBondContact CE2-O 3.44Å; F242-F278 HydrophobicContact CZ-CB 3.89Å; F255-F278 HydrophobicContact CB-CE1 4.3Å; F255-F278 HydrophobicContact CB-CZ 4.28Å; F255-F278 AromaticContact CD2-CD1 3.73Å; F255-F278 HydrophobicContact CD2-CD1 3.73Å; F255-F278 AromaticContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CE1 3.74Å; F255-F278 HydrophobicContact CD2-CG 4.45Å; F255-F278 HydrophobicContact CD2-CZ 4.49Å; F255-F278 HydrophobicContact CE2-CD1 4.09Å; F255-F278 HydrophobicContact CE2-CE1 4.29Å; F255-F278 HydrophobicContact CG-CE1 4.09Å; F259-F278 HydrophobicContact CB-CZ 4.41Å; F259-F278 HydrophobicContact CD2-CE1 4.16Å; F259-F278 AromaticContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CD2-CZ 3.71Å; F259-F278 HydrophobicContact CE2-CE1 4.14Å; F259-F278 HydrophobicContact CE2-CZ 4.14Å; F259-F278 HydrophobicContact CG-CZ 4.08Å; F278-I285 HydrophobicContact CB-CG2 4.39Å; F278-I285 HydrophobicContact CD1-CG2 4.07Å; F278-W286 WeakPolarHBondContact CA-O 3.48Å; F278-F287 HydrophobicContact CD1-CD2 4.19Å; F278-F287 AromaticContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CE2 4.16Å; F278-F287 AromaticContact CZ-CD2 3.8Å; F278-F287 HydrophobicContact CZ-CD2 3.8Å; F278-F287 AromaticContact CZ-CE2 3.88Å; F278-F287 HydrophobicContact CZ-CE2 3.88Å |
| 279 | S | 96.5 | Very high | 93.1 | Very high | 53 Ų | 53 | 43 Ų | 43 | 37% | 0.371 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 137.8 | -179.2 | -47.6 | 0 | 0 | 0 | 0 | 111.4 | I285 W286 | S279-I285 WeakPolarHBondContact O-CA 3.44Å; S279-W286 PolarHBondContact N-O 3.31Å; S279-W286 PolarHBondContact O-N 2.84Å |
| 280 | I | 95.6 | Very high | 93.5 | Very high | 11 Ų | 11 | 41.2 Ų | 41.2 | 6% | 0.056 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 114.5 | 179.3 | -56.4 | -179.7 | 0 | 0 | 0 | 109.9 | D239 K241 F242 Y248 R284 I285 | D239-I280 PolarHBondContact OD2-N 2.94Å; K241-I280 HydrophobicContact CB-CB 4.44Å; K241-I280 HydrophobicContact CB-CD1 4.11Å; K241-I280 HydrophobicContact CD-CB 4.13Å; K241-I280 HydrophobicContact CD-CG2 4.49Å; K241-I280 PolarHBondContact NZ-O 3.46Å; F242-I280 HydrophobicContact CD1-CD1 4.08Å; F242-I280 HydrophobicContact CD2-CD1 3.64Å; F242-I280 HydrophobicContact CD2-CG1 3.9Å; F242-I280 HydrophobicContact CE1-CD1 4.11Å; F242-I280 HydrophobicContact CE2-CD1 3.67Å; F242-I280 HydrophobicContact CE2-CG1 3.5Å; F242-I280 VanDerWaalsContact CE2-CG1 3.5Å; F242-I280 HydrophobicContact CG-CD1 3.85Å; F242-I280 HydrophobicContact CZ-CD1 3.92Å; F242-I280 HydrophobicContact CZ-CG1 3.87Å; Y248-I280 HydrophobicContact CD1-CD1 3.89Å; Y248-I280 HydrophobicContact CD2-CD1 3.76Å; Y248-I280 HydrophobicContact CE1-CD1 4.14Å; Y248-I280 HydrophobicContact CE2-CD1 4.02Å; Y248-I280 HydrophobicContact CE2-CG2 4.37Å; Y248-I280 HydrophobicContact CG-CD1 3.72Å; I280-R284 WeakPolarHBondContact CA-O 3.43Å; I280-I285 HydrophobicContact CG1-CG1 4.24Å |
| 281 | A | 93.6 | Very high | 93.9 | Very high | 44 Ų | 44 | 40.4 Ų | 40.4 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 138.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | N283 R284 | A281-N283 PolarHBondContact O-N 3.39Å; A281-R284 PolarHBondContact N-O 2.88Å; A281-R284 PolarHBondContact O-N 3.21Å |
| 282 | D | 91.7 | Very high | 94.2 | Very high | 132 Ų | 132 | 36.6 Ų | 36.6 | 71% | 0.706 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 38.4 | -175.9 | -49.2 | -28.9 | 0 | 0 | 0 | 114.1 | R284 | D282-R284 PolarHBondContact O-N 2.85Å; D282-R284 VanDerWaalsContact O-N 3.12Å |
| 283 | N | 91.3 | Very high | 94.3 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 36% | 0.364 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 21.6 | -173.3 | -59.7 | 33.5 | 0 | 0 | 0 | 113.8 | Y248 A281 | Y248-N283 PolarHBondContact OH-O 3.37Å; A281-N283 PolarHBondContact O-N 3.39Å |
| 284 | R | 94.3 | Very high | 93.8 | Very high | 90 Ų | 90 | 43.6 Ų | 43.6 | 34% | 0.34 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 145.1 | 174.2 | -57.7 | 177.5 | -154.5 | 176.8 | 18.2 | 110 | I280 A281 D282 V307 L308 N309 | I280-R284 WeakPolarHBondContact CA-O 3.43Å; A281-R284 PolarHBondContact N-O 2.88Å; A281-R284 PolarHBondContact O-N 3.21Å; D282-R284 PolarHBondContact O-N 2.85Å; D282-R284 VanDerWaalsContact O-N 3.12Å; R284-V307 HydrophobicContact CB-CG1 3.61Å; R284-V307 HydrophobicContact CG-CG1 4.27Å; R284-L308 WeakPolarHBondContact CA-O 3.26Å; R284-N309 HydrophobicContact CG-CB 4.04Å |
| 285 | I | 96.3 | Very high | 93.1 | Very high | 1 Ų | 1 | 52 Ų | 52 | 1% | 0.005 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.1 | 118.4 | 178.5 | -62.9 | 147.2 | 0 | 0 | 0 | 107.4 | F211 F242 Y248 L251 F255 F278 S279 I280 V307 L308 | F211-I285 HydrophobicContact CE1-CD1 4.18Å; F242-I285 HydrophobicContact CE1-CD1 4.37Å; F242-I285 HydrophobicContact CE1-CG1 4.36Å; F242-I285 HydrophobicContact CZ-CD1 4.38Å; F242-I285 HydrophobicContact CZ-CG1 3.92Å; F242-I285 HydrophobicContact CZ-CG2 3.94Å; Y248-I285 HydrophobicContact CD1-CD1 4.36Å; Y248-I285 HydrophobicContact CE1-CD1 4.18Å; Y248-I285 HydrophobicContact CE1-CG1 4.43Å; L251-I285 HydrophobicContact CD1-CD1 4.08Å; F255-I285 HydrophobicContact CE2-CD1 4.03Å; F255-I285 HydrophobicContact CE2-CG2 4.12Å; F255-I285 HydrophobicContact CZ-CD1 4.14Å; F278-I285 HydrophobicContact CB-CG2 4.39Å; F278-I285 HydrophobicContact CD1-CG2 4.07Å; S279-I285 WeakPolarHBondContact O-CA 3.44Å; I280-I285 HydrophobicContact CG1-CG1 4.24Å; I285-V307 WeakPolarHBondContact O-CA 3.47Å; I285-L308 HydrophobicContact CB-CB 4.28Å; I285-L308 PolarHBondContact N-O 3.29Å; I285-L308 PolarHBondContact O-N 3.44Å |
| 286 | W | 96.8 | Very high | 92.2 | Very high | 61 Ų | 61 | 57.3 Ų | 57.3 | 23% | 0.231 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 123 | 174.3 | -65.9 | 70.2 | 0 | 0 | 0 | 108.4 | F278 S279 V307 | F278-W286 WeakPolarHBondContact CA-O 3.48Å; S279-W286 PolarHBondContact N-O 3.31Å; S279-W286 PolarHBondContact O-N 2.84Å; W286-V307 HydrophobicContact CD2-CG2 3.57Å; W286-V307 HydrophobicContact CE3-CG2 3.44Å; W286-V307 VanDerWaalsContact CE3-CG2 3.44Å; W286-V307 HydrophobicContact CG-CG2 4.17Å; W286-V307 HydrophobicContact CH2-CG2 4.15Å; W286-V307 HydrophobicContact CZ2-CG2 4.24Å; W286-V307 HydrophobicContact CZ3-CG2 3.74Å |
| 287 | F | 96.9 | Very high | 91.6 | Very high | 1 Ų | 1 | 61 Ų | 61 | 0% | 0.004 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 128.4 | 170.3 | 179.4 | -90.8 | 0 | 0 | 0 | 109.4 | Y276 T277 F278 N289 P304 R305 F306 | Y276-F287 HydrophobicContact CD1-CE2 4.13Å; Y276-F287 AromaticContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD1-CZ 3.67Å; Y276-F287 HydrophobicContact CD2-CE2 4.16Å; Y276-F287 HydrophobicContact CD2-CZ 4.3Å; Y276-F287 HydrophobicContact CE1-CZ 4.12Å; Y276-F287 AromaticContact CG-CE2 3.77Å; Y276-F287 HydrophobicContact CG-CE2 3.77Å; Y276-F287 AromaticContact CG-CZ 3.8Å; Y276-F287 HydrophobicContact CG-CZ 3.8Å; T277-F287 WeakPolarHBondContact O-CA 3.46Å; F278-F287 HydrophobicContact CD1-CD2 4.19Å; F278-F287 AromaticContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CD2 3.61Å; F278-F287 HydrophobicContact CE1-CE2 4.16Å; F278-F287 AromaticContact CZ-CD2 3.8Å; F278-F287 HydrophobicContact CZ-CD2 3.8Å; F278-F287 AromaticContact CZ-CE2 3.88Å; F278-F287 HydrophobicContact CZ-CE2 3.88Å; F287-N289 HydrophobicContact CE1-CB 4.44Å; F287-P304 WeakPolarHBondContact CD1-O 3.47Å; F287-P304 HydrophobicContact CE1-CG 4.5Å; F287-P304 WeakPolarHBondContact CE1-O 3.48Å; F287-R305 WeakPolarHBondContact O-CA 3.43Å; F287-F306 HydrophobicContact CB-CD1 4.45Å; F287-F306 HydrophobicContact CB-CD2 3.89Å; F287-F306 HydrophobicContact CB-CE1 4.15Å; F287-F306 HydrophobicContact CB-CE2 3.54Å; F287-F306 HydrophobicContact CB-CG 4.33Å; F287-F306 HydrophobicContact CB-CZ 3.69Å; F287-F306 AromaticContact CD1-CD1 3.87Å; F287-F306 HydrophobicContact CD1-CD1 3.87Å; F287-F306 AromaticContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE2 4.21Å; F287-F306 AromaticContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD1-CZ 3.46Å; F287-F306 VanDerWaalsContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD2-CZ 4.09Å; F287-F306 AromaticContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CZ 4.08Å; F287-F306 HydrophobicContact CG-CD1 4.45Å; F287-F306 AromaticContact CG-CE1 3.79Å; F287-F306 HydrophobicContact CG-CE1 3.79Å; F287-F306 AromaticContact CG-CE2 3.87Å; F287-F306 HydrophobicContact CG-CE2 3.87Å; F287-F306 AromaticContact CG-CZ 3.45Å; F287-F306 HydrophobicContact CG-CZ 3.45Å; F287-F306 VanDerWaalsContact CG-CZ 3.45Å; F287-F306 PolarHBondContact N-O 2.79Å; F287-F306 PolarHBondContact O-N 3.48Å |
| 288 | R | 94.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 62.3 Ų | 62.3 | 25% | 0.253 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 151.7 | 167.5 | -48 | -177.9 | -172.5 | -160.4 | 17.7 | 110.4 | T277 Y290 E301 R305 | T277-R288 PolarHBondContact N-O 2.89Å; T277-R288 PolarHBondContact O-N 3.02Å; T277-R288 VanDerWaalsContact O-N 3.16Å; T277-R288 WeakPolarHBondContact OG1-CB 3.24Å; T277-R288 PolarHBondContact OG1-O 2.68Å; T277-R288 VanDerWaalsContact OG1-O 3.05Å; R288-Y290 HydrophobicContact CB-CD2 4.39Å; R288-Y290 HydrophobicContact CB-CE2 3.75Å; R288-Y290 WeakPolarHBondContact CD-OH 3.33Å; R288-Y290 PolarHBondContact NH1-OH 3.27Å; R288-E301 IonicContact CZ-OE1 2.83Å; R288-E301 IonicContact NH1-OE1 2.7Å; R288-E301 PolarHBondContact NH1-OE1 3.11Å; R288-R305 HydrophobicContact CG-CG 4.28Å |
| 289 | N | 94.5 | Very high | 91 | Very high | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 126.6 | 176.9 | -177.5 | 29 | 0 | 0 | 0 | 109.5 | H274 V275 Y276 F287 I302 G303 | H274-N289 PolarHBondContact CD2-OD1 3.28Å; H274-N289 VanDerWaalsContact CD2-OD1 3.24Å; V275-N289 WeakPolarHBondContact O-CA 3.49Å; V275-N289 PolarHBondContact O-OD1 2.77Å; Y276-N289 HydrophobicContact CD1-CB 4.12Å; Y276-N289 WeakPolarHBondContact CD1-OD1 3.49Å; Y276-N289 HydrophobicContact CE1-CB 4.36Å; F287-N289 HydrophobicContact CE1-CB 4.44Å; N289-I302 PolarHBondContact O-N 3.14Å; N289-G303 VanDerWaalsContact CB-O 3.23Å; N289-G303 WeakPolarHBondContact CB-O 3.27Å; N289-G303 PolarHBondContact ND2-O 2.85Å; N289-G303 PolarHBondContact O-N 3.2Å |
| 290 | Y | 94.9 | Very high | 90.9 | Very high | 38 Ų | 38 | 65.9 Ų | 65.9 | 15% | 0.149 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.9 | 136.4 | -177.6 | -69.5 | -81.9 | 0 | 0 | 0 | 110.8 | H274 V275 T277 R288 L299 V300 E301 | H274-Y290 CarbonylContact C-O 3.47Å; H274-Y290 WeakPolarHBondContact CA-O 3.47Å; H274-Y290 VanDerWaalsContact CB-O 3.27Å; H274-Y290 WeakPolarHBondContact CB-O 3.08Å; V275-Y290 PolarHBondContact N-O 2.92Å; V275-Y290 PolarHBondContact O-N 3.21Å; T277-Y290 HydrophobicContact CG2-CD2 3.74Å; T277-Y290 HydrophobicContact CG2-CE2 3.91Å; T277-Y290 WeakPolarHBondContact OG1-CE2 3.17Å; R288-Y290 HydrophobicContact CB-CD2 4.39Å; R288-Y290 HydrophobicContact CB-CE2 3.75Å; R288-Y290 WeakPolarHBondContact CD-OH 3.33Å; R288-Y290 PolarHBondContact NH1-OH 3.27Å; Y290-L299 HydrophobicContact CD1-CB 3.95Å; Y290-L299 HydrophobicContact CG-CB 4.26Å; Y290-V300 CarbonylContact C-O 3.52Å; Y290-V300 VanDerWaalsContact CA-O 3.29Å; Y290-V300 WeakPolarHBondContact CA-O 3.38Å; Y290-E301 HydrophobicContact CD1-CG 3.84Å; Y290-E301 HydrophobicContact CE1-CB 4.45Å; Y290-E301 HydrophobicContact CE1-CG 3.27Å; Y290-E301 PolarHBondContact OH-OE1 2.82Å |
| 291 | Q | 94 | Very high | 90.7 | Very high | 46 Ų | 46 | 67.5 Ų | 67.5 | 22% | 0.215 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 143.4 | 165.7 | -169.3 | 176.7 | 0.8 | 0 | 0 | 109.2 | N227 L299 V300 I302 | N227-Q291 VanDerWaalsContact O-CG 3.23Å; N227-Q291 WeakPolarHBondContact O-CG 3.33Å; N227-Q291 PolarHBondContact O-NE2 2.78Å; N227-Q291 PolarHBondContact O-OE1 3.31Å; Q291-L299 WeakPolarHBondContact O-CA 3.26Å; Q291-L299 WeakPolarHBondContact O-CD2 3.33Å; Q291-V300 PolarHBondContact N-O 3.16Å; Q291-V300 PolarHBondContact O-N 2.88Å; Q291-I302 HydrophobicContact CB-CD1 3.74Å; Q291-I302 HydrophobicContact CB-CG1 3.76Å; Q291-I302 VanDerWaalsContact N-CD1 3.28Å |
| 292 | I | 92.4 | Very high | 90.7 | Very high | 40 Ų | 40 | 65.8 Ų | 65.8 | 21% | 0.205 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 119.7 | 167.8 | -54.3 | 170.8 | 0 | 0 | 0 | 107.2 | L235 V272 D273 V275 L299 | L235-I292 HydrophobicContact CD1-CD1 4.24Å; V272-I292 HydrophobicContact CG1-CD1 4.25Å; D273-I292 PolarHBondContact O-N 3.22Å; V275-I292 HydrophobicContact CG2-CD1 3.77Å; V275-I292 HydrophobicContact CG2-CG1 3.73Å; I292-L299 HydrophobicContact CG1-CD2 4.19Å |
| 293 | I | 90.3 | Very high | 90.5 | Very high | 50 Ų | 50 | 59.5 Ų | 59.5 | 26% | 0.256 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 114.9 | 169 | -64 | -178 | 0 | 0 | 0 | 107.6 | E295 A297 S298 V300 | I293-E295 VanDerWaalsContact C-N 3.25Å; I293-E295 HydrophobicContact CG2-CB 4.22Å; I293-E295 PolarHBondContact O-N 2.84Å; I293-A297 VanDerWaalsContact O-CA 3.24Å; I293-A297 WeakPolarHBondContact O-CA 3.48Å; I293-A297 PolarHBondContact O-N 2.78Å; I293-S298 PolarHBondContact N-O 3.38Å; I293-V300 HydrophobicContact CD1-CG2 3.58Å; I293-V300 HydrophobicContact CG1-CG2 4.36Å |
| 294 | E | 78.8 | Confident | 90.6 | Very high | 175 Ų | 175 | 56.3 Ų | 56.3 | 82% | 0.818 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -29.6 | -174.5 | -64.1 | -173.6 | 162.5 | 0 | 0 | 113.2 | ||
| 295 | E | 78.2 | Confident | 90.6 | Very high | 175 Ų | 175 | 54.9 Ų | 54.9 | 82% | 0.818 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -44.5 | -176.5 | -61.2 | 176.6 | 171 | 0 | 0 | 113.1 | I293 | I293-E295 VanDerWaalsContact C-N 3.25Å; I293-E295 HydrophobicContact CG2-CB 4.22Å; I293-E295 PolarHBondContact O-N 2.84Å |
| 296 | D | 77 | Confident | 90.5 | Very high | 129 Ų | 129 | 55 Ų | 55 | 69% | 0.69 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -0.3 | -173.3 | -73.2 | -36.5 | 0 | 0 | 0 | 113.8 | S298 | D296-S298 PolarHBondContact O-N 3.42Å; D296-S298 VanDerWaalsContact O-N 3.07Å |
| 297 | A | 82.1 | Confident | 90.5 | Very high | 80 Ų | 80 | 52.2 Ų | 52.2 | 66% | 0.661 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.6 | 22.5 | -164.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | I293 | I293-A297 VanDerWaalsContact O-CA 3.24Å; I293-A297 WeakPolarHBondContact O-CA 3.48Å; I293-A297 PolarHBondContact O-N 2.78Å |
| 298 | S | 89.6 | Confident | 90.5 | Very high | 46 Ų | 46 | 52.1 Ų | 52.1 | 32% | 0.322 | 27% | 0.267 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 154.7 | -177.6 | 70.2 | 0 | 0 | 0 | 0 | 111.8 | I293 D296 | I293-S298 PolarHBondContact N-O 3.38Å; D296-S298 PolarHBondContact O-N 3.42Å; D296-S298 VanDerWaalsContact O-N 3.07Å |
| 299 | L | 92.4 | Very high | 90.6 | Very high | 94 Ų | 94 | 49.6 Ų | 49.6 | 49% | 0.492 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 122.6 | -173.5 | -65.1 | -179.3 | 0 | 0 | 0 | 112.1 | Y290 Q291 I292 | Y290-L299 HydrophobicContact CD1-CB 3.95Å; Y290-L299 HydrophobicContact CG-CB 4.26Å; Q291-L299 WeakPolarHBondContact O-CA 3.26Å; Q291-L299 WeakPolarHBondContact O-CD2 3.33Å; I292-L299 HydrophobicContact CG1-CD2 4.19Å |
| 300 | V | 93.3 | Very high | 90.6 | Very high | 34 Ų | 34 | 49.6 Ų | 49.6 | 21% | 0.206 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 133.9 | -179.7 | 178.2 | 0 | 0 | 0 | 0 | 111.2 | T225 Y290 Q291 I293 I302 | T225-V300 VanDerWaalsContact OG1-CG1 3.3Å; T225-V300 WeakPolarHBondContact OG1-CG1 3.29Å; Y290-V300 CarbonylContact C-O 3.52Å; Y290-V300 VanDerWaalsContact CA-O 3.29Å; Y290-V300 WeakPolarHBondContact CA-O 3.38Å; Q291-V300 PolarHBondContact N-O 3.16Å; Q291-V300 PolarHBondContact O-N 2.88Å; I293-V300 HydrophobicContact CD1-CG2 3.58Å; I293-V300 HydrophobicContact CG1-CG2 4.36Å; V300-I302 PolarHBondContact O-N 3.3Å |
| 301 | E | 92.5 | Very high | 90.6 | Very high | 46 Ų | 46 | 48.5 Ų | 48.5 | 22% | 0.215 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.7 | 179.7 | -70.1 | -165.9 | 179.7 | 0 | 0 | 111.5 | M224 T225 G226 R288 Y290 R305 | M224-E301 WeakPolarHBondContact CA-O 3.44Å; M224-E301 HydrophobicContact SD-CB 3.81Å; T225-E301 PolarHBondContact N-O 3.14Å; G226-E301 PolarHBondContact N-O 2.81Å; G226-E301 VanDerWaalsContact N-O 3.14Å; R288-E301 IonicContact CZ-OE1 2.83Å; R288-E301 IonicContact NH1-OE1 2.7Å; R288-E301 PolarHBondContact NH1-OE1 3.11Å; Y290-E301 HydrophobicContact CD1-CG 3.84Å; Y290-E301 HydrophobicContact CE1-CB 4.45Å; Y290-E301 HydrophobicContact CE1-CG 3.27Å; Y290-E301 PolarHBondContact OH-OE1 2.82Å; E301-R305 IonicContact OE1-NH1 4Å; E301-R305 IonicContact OE2-NH1 3.22Å; E301-R305 PolarHBondContact OE2-NH1 3.37Å |
| 302 | I | 91.7 | Very high | 90.7 | Very high | 7 Ų | 7 | 48.9 Ų | 48.9 | 4% | 0.036 | 26% | 0.256 | C | S | . | . | trans | -91.6 | -38.7 | 170.8 | -52.9 | 157.4 | 0 | 0 | 0 | 110.2 | L219 M224 C228 H274 N289 Q291 V300 | L219-I302 HydrophobicContact CD2-CG2 3.71Å; L219-I302 WeakPolarHBondContact CD2-O 3.47Å; M224-I302 VanDerWaalsContact CB-O 3.22Å; M224-I302 WeakPolarHBondContact CB-O 3.47Å; M224-I302 WeakPolarHBondContact CG-O 3.26Å; C228-I302 HydrophobicContact CB-CD1 3.78Å; H274-I302 HydrophobicContact CB-CD1 3.81Å; N289-I302 PolarHBondContact O-N 3.14Å; Q291-I302 HydrophobicContact CB-CD1 3.74Å; Q291-I302 HydrophobicContact CB-CG1 3.76Å; Q291-I302 VanDerWaalsContact N-CD1 3.28Å; V300-I302 PolarHBondContact O-N 3.3Å | ||
| 303 | G | 87.6 | Confident | 90.9 | Very high | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | trans | 75.4 | -175.9 | -164.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L219 N289 | L219-G303 VanDerWaalsContact CD2-C 3.44Å; L219-G303 WeakPolarHBondContact CD2-O 3.01Å; N289-G303 VanDerWaalsContact CB-O 3.23Å; N289-G303 WeakPolarHBondContact CB-O 3.27Å; N289-G303 PolarHBondContact ND2-O 2.85Å; N289-G303 PolarHBondContact O-N 3.2Å | ||
| 304 | P | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 46.1 Ų | 46.1 | 0% | 0 | 24% | 0.241 | C | C | . | . | cis | -67 | 156.5 | -2.2 | 32 | -35.7 | 0 | 0 | 0 | 111.4 | L147 D150 M154 H217 F287 F306 | L147-P304 HydrophobicContact CD1-CB 3.67Å; L147-P304 HydrophobicContact CD1-CG 3.89Å; D150-P304 HydrophobicContact CB-CB 4.48Å; D150-P304 HydrophobicContact CB-CG 4.09Å; M154-P304 HydrophobicContact CE-CG 3.72Å; M154-P304 WeakPolarHBondContact SD-CD 3.49Å; M154-P304 HydrophobicContact SD-CG 4.45Å; H217-P304 CarbonylContact O-C 3.56Å; H217-P304 VanDerWaalsContact O-CA 3.27Å; H217-P304 WeakPolarHBondContact O-CA 3.46Å; H217-P304 VanDerWaalsContact O-CB 3.29Å; H217-P304 WeakPolarHBondContact O-CB 3.27Å; F287-P304 WeakPolarHBondContact CD1-O 3.47Å; F287-P304 HydrophobicContact CE1-CG 4.5Å; F287-P304 WeakPolarHBondContact CE1-O 3.48Å; P304-F306 HydrophobicContact CG-CE1 4.45Å | ||
| 305 | R | 93.9 | Very high | 91.9 | Very high | 61 Ų | 61 | 43.2 Ų | 43.2 | 23% | 0.23 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 133.7 | 176.7 | 166.2 | 177 | 176.7 | 173.5 | -2 | 108.9 | H217 M224 F287 R288 E301 | H217-R305 HydrophobicContact CB-CB 4.18Å; H217-R305 PolarHBondContact N-O 2.74Å; H217-R305 PolarHBondContact O-N 2.67Å; M224-R305 HydrophobicContact CE-CB 3.77Å; F287-R305 WeakPolarHBondContact O-CA 3.43Å; R288-R305 HydrophobicContact CG-CG 4.28Å; E301-R305 IonicContact OE1-NH1 4Å; E301-R305 IonicContact OE2-NH1 3.22Å; E301-R305 PolarHBondContact OE2-NH1 3.37Å |
| 306 | F | 95.9 | Very high | 92.6 | Very high | 3 Ų | 3 | 35.7 Ų | 35.7 | 1% | 0.013 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.7 | 162.2 | 176.9 | 54.1 | -94.5 | 0 | 0 | 0 | 111 | L147 V213 I216 F287 P304 L308 | L147-F306 HydrophobicContact CD1-CD1 3.7Å; L147-F306 HydrophobicContact CD1-CE1 3.98Å; V213-F306 HydrophobicContact CG1-CB 4Å; V213-F306 HydrophobicContact CG1-CD2 4.35Å; V213-F306 HydrophobicContact CG1-CG 4.39Å; I216-F306 HydrophobicContact CG1-CB 4.35Å; F287-F306 HydrophobicContact CB-CD1 4.45Å; F287-F306 HydrophobicContact CB-CD2 3.89Å; F287-F306 HydrophobicContact CB-CE1 4.15Å; F287-F306 HydrophobicContact CB-CE2 3.54Å; F287-F306 HydrophobicContact CB-CG 4.33Å; F287-F306 HydrophobicContact CB-CZ 3.69Å; F287-F306 AromaticContact CD1-CD1 3.87Å; F287-F306 HydrophobicContact CD1-CD1 3.87Å; F287-F306 AromaticContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE1 3.26Å; F287-F306 HydrophobicContact CD1-CE2 4.21Å; F287-F306 AromaticContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD1-CZ 3.46Å; F287-F306 VanDerWaalsContact CD1-CZ 3.46Å; F287-F306 HydrophobicContact CD2-CZ 4.09Å; F287-F306 AromaticContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CE1 3.77Å; F287-F306 HydrophobicContact CE1-CZ 4.08Å; F287-F306 HydrophobicContact CG-CD1 4.45Å; F287-F306 AromaticContact CG-CE1 3.79Å; F287-F306 HydrophobicContact CG-CE1 3.79Å; F287-F306 AromaticContact CG-CE2 3.87Å; F287-F306 HydrophobicContact CG-CE2 3.87Å; F287-F306 AromaticContact CG-CZ 3.45Å; F287-F306 HydrophobicContact CG-CZ 3.45Å; F287-F306 VanDerWaalsContact CG-CZ 3.45Å; F287-F306 PolarHBondContact N-O 2.79Å; F287-F306 PolarHBondContact O-N 3.48Å; P304-F306 HydrophobicContact CG-CE1 4.45Å; F306-L308 HydrophobicContact CD2-CD2 3.61Å; F306-L308 HydrophobicContact CD2-CG 3.91Å; F306-L308 HydrophobicContact CE2-CD1 4.08Å; F306-L308 HydrophobicContact CE2-CD2 3.72Å; F306-L308 HydrophobicContact CE2-CG 3.85Å |
| 307 | V | 96.5 | Very high | 93.3 | Very high | 2 Ų | 2 | 30 Ų | 30 | 1% | 0.012 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 126.3 | 179.1 | 179.7 | 0 | 0 | 0 | 0 | 108.9 | V213 Q214 N215 R284 I285 W286 | V213-V307 WeakPolarHBondContact CA-O 3.47Å; Q214-V307 HydrophobicContact CB-CB 4.36Å; Q214-V307 PolarHBondContact N-O 3.42Å; Q214-V307 PolarHBondContact O-N 3.1Å; N215-V307 HydrophobicContact CB-CG2 4.04Å; R284-V307 HydrophobicContact CB-CG1 3.61Å; R284-V307 HydrophobicContact CG-CG1 4.27Å; I285-V307 WeakPolarHBondContact O-CA 3.47Å; W286-V307 HydrophobicContact CD2-CG2 3.57Å; W286-V307 HydrophobicContact CE3-CG2 3.44Å; W286-V307 VanDerWaalsContact CE3-CG2 3.44Å; W286-V307 HydrophobicContact CG-CG2 4.17Å; W286-V307 HydrophobicContact CH2-CG2 4.15Å; W286-V307 HydrophobicContact CZ2-CG2 4.24Å; W286-V307 HydrophobicContact CZ3-CG2 3.74Å |
| 308 | L | 96.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.6 | 175.4 | -56.8 | -175.6 | 0 | 0 | 0 | 109.4 | M198 F211 V213 F255 R284 I285 F306 | M198-L308 HydrophobicContact CE-CD1 3.79Å; M198-L308 HydrophobicContact CE-CD2 3.51Å; M198-L308 HydrophobicContact CE-CG 4.31Å; F211-L308 HydrophobicContact CB-CB 4.28Å; F211-L308 HydrophobicContact CB-CD2 4.25Å; F211-L308 HydrophobicContact CD1-CB 3.79Å; F211-L308 HydrophobicContact CD1-CD1 4.42Å; F211-L308 HydrophobicContact CE1-CB 4.42Å; F211-L308 HydrophobicContact CG-CB 4.16Å; F211-L308 HydrophobicContact CG-CD1 4.39Å; V213-L308 HydrophobicContact CB-CD2 4.48Å; V213-L308 HydrophobicContact CG1-CD2 4.3Å; V213-L308 HydrophobicContact CG2-CD2 3.91Å; F255-L308 HydrophobicContact CZ-CD1 4.15Å; R284-L308 WeakPolarHBondContact CA-O 3.26Å; I285-L308 HydrophobicContact CB-CB 4.28Å; I285-L308 PolarHBondContact N-O 3.29Å; I285-L308 PolarHBondContact O-N 3.44Å; F306-L308 HydrophobicContact CD2-CD2 3.61Å; F306-L308 HydrophobicContact CD2-CG 3.91Å; F306-L308 HydrophobicContact CE2-CD1 4.08Å; F306-L308 HydrophobicContact CE2-CD2 3.72Å; F306-L308 HydrophobicContact CE2-CG 3.85Å |
| 309 | N | 95.8 | Very high | 93.5 | Very high | 13 Ų | 13 | 26.1 Ų | 26.1 | 7% | 0.07 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 116.7 | 169.4 | -172.9 | -3.7 | 0 | 0 | 0 | 108.6 | F211 L212 R284 | F211-N309 CarbonylContact C-O 3.57Å; F211-N309 WeakPolarHBondContact CA-O 2.9Å; L212-N309 HydrophobicContact CB-CB 4.37Å; L212-N309 PolarHBondContact N-O 2.78Å; L212-N309 PolarHBondContact O-N 2.85Å; R284-N309 HydrophobicContact CG-CB 4.04Å |
| 310 | L | 95.4 | Very high | 93.4 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -66.9 | 133.2 | -178.5 | -179.9 | 60.3 | 0 | 0 | 0 | 110.6 | F211 L251 I313 Y324 N326 | F211-L310 HydrophobicContact CD1-CB 4.27Å; F211-L310 HydrophobicContact CD1-CD1 4.12Å; F211-L310 HydrophobicContact CE1-CB 4.18Å; F211-L310 HydrophobicContact CE1-CD1 3.69Å; F211-L310 HydrophobicContact CZ-CD1 4.18Å; L251-L310 HydrophobicContact CD1-CD1 4.06Å; L251-L310 HydrophobicContact CD1-CD2 3.87Å; L251-L310 HydrophobicContact CD1-CG 4.49Å; L310-I313 HydrophobicContact CD1-CD1 4.46Å; L310-I313 HydrophobicContact CD1-CG1 3.95Å; L310-I313 HydrophobicContact CD2-CD1 4.18Å; L310-I313 HydrophobicContact CD2-CG1 4.44Å; L310-Y324 HydrophobicContact CD2-CD1 3.82Å; L310-Y324 HydrophobicContact CD2-CE1 3.59Å; L310-Y324 HydrophobicContact CG-CD1 4.46Å; L310-Y324 HydrophobicContact CG-CE1 4.3Å; L310-N326 VanDerWaalsContact O-CB 3.26Å; L310-N326 WeakPolarHBondContact O-CB 3.34Å; L310-N326 PolarHBondContact O-ND2 3.17Å |
| 311 | I | 95.6 | Very high | 93.5 | Very high | 14 Ų | 14 | 26.4 Ų | 26.4 | 7% | 0.072 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | -65 | 177.9 | -52.8 | -176.3 | 0 | 0 | 0 | 109.7 | Y197 K210 L212 N326 F329 | Y197-I311 HydrophobicContact CD1-CD1 3.47Å; Y197-I311 VanDerWaalsContact CD1-CD1 3.47Å; Y197-I311 HydrophobicContact CE1-CD1 3.58Å; K210-I311 HydrophobicContact CD-CD1 4.25Å; K210-I311 HydrophobicContact CG-CD1 4.21Å; K210-I311 WeakPolarHBondContact O-CB 3.26Å; K210-I311 PolarHBondContact O-N 3.04Å; L212-I311 HydrophobicContact CB-CD1 4.09Å; L212-I311 HydrophobicContact CB-CG1 4.44Å; I311-N326 PolarHBondContact O-N 3.35Å; I311-F329 HydrophobicContact CB-CD1 4.35Å; I311-F329 HydrophobicContact CB-CE1 4.42Å; I311-F329 HydrophobicContact CB-CG 4.46Å; I311-F329 HydrophobicContact CD1-CE1 3.93Å; I311-F329 HydrophobicContact CD1-CE2 3.89Å; I311-F329 HydrophobicContact CD1-CZ 3.51Å; I311-F329 HydrophobicContact CG1-CD1 4.18Å; I311-F329 HydrophobicContact CG1-CD2 3.86Å; I311-F329 HydrophobicContact CG1-CE1 3.94Å; I311-F329 HydrophobicContact CG1-CE2 3.62Å; I311-F329 HydrophobicContact CG1-CG 4.15Å; I311-F329 HydrophobicContact CG1-CZ 3.66Å; I311-F329 HydrophobicContact CG2-CD1 3.76Å; I311-F329 HydrophobicContact CG2-CE1 3.79Å; I311-F329 HydrophobicContact CG2-CG 4.32Å; I311-F329 HydrophobicContact CG2-CZ 4.39Å |
| 312 | K | 95.1 | Very high | 93.6 | Very high | 55 Ų | 55 | 27.2 Ų | 27.2 | 24% | 0.239 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 149.6 | -177.1 | -73 | 177.5 | -164.6 | -113.8 | 0 | 110.2 | K210 F314 T322 Y324 E325 | K210-K312 PolarHBondContact N-O 2.9Å; K312-F314 HydrophobicContact CB-CE2 3.8Å; K312-F314 HydrophobicContact CB-CZ 3.79Å; K312-F314 HydrophobicContact CD-CE1 4.36Å; K312-F314 HydrophobicContact CD-CZ 3.92Å; K312-T322 HydrophobicContact CB-CG2 4.14Å; K312-T322 HydrophobicContact CD-CG2 4.1Å; K312-T322 HydrophobicContact CG-CG2 4.04Å; K312-Y324 CarbonylContact C-O 3.56Å; K312-Y324 WeakPolarHBondContact CA-O 3.47Å; K312-E325 WeakPolarHBondContact CE-OE1 3.38Å; K312-E325 HydrophobicContact CG-CB 4.06Å; K312-E325 HydrophobicContact CG-CG 4.02Å; K312-E325 IonicContact NZ-OE1 2.64Å; K312-E325 PolarHBondContact NZ-OE1 2.95Å; K312-E325 IonicContact NZ-OE2 2.61Å; K312-E325 PolarHBondContact NZ-OE2 2.83Å |
| 313 | I | 96.4 | Very high | 93.7 | Very high | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.015 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 135.4 | 167.4 | -57.1 | 171.5 | 0 | 0 | 0 | 107.5 | S208 A209 Q247 L250 L251 L310 T322 L323 Y324 | S208-I313 CarbonylContact O-C 3.59Å; S208-I313 WeakPolarHBondContact O-CA 3.36Å; A209-I313 HydrophobicContact CB-CG1 4.5Å; Q247-I313 HydrophobicContact CB-CD1 4.07Å; L250-I313 HydrophobicContact CD2-CD1 4.42Å; L250-I313 HydrophobicContact CD2-CG2 3.97Å; L251-I313 HydrophobicContact CD2-CD1 4.37Å; L251-I313 HydrophobicContact CG-CD1 4.28Å; L310-I313 HydrophobicContact CD1-CD1 4.46Å; L310-I313 HydrophobicContact CD1-CG1 3.95Å; L310-I313 HydrophobicContact CD2-CD1 4.18Å; L310-I313 HydrophobicContact CD2-CG1 4.44Å; I313-T322 CarbonylContact O-C 3.56Å; I313-T322 WeakPolarHBondContact O-CA 3.43Å; I313-L323 HydrophobicContact CG2-CB 4.41Å; I313-L323 HydrophobicContact CG2-CD1 4.42Å; I313-L323 PolarHBondContact O-N 3.36Å; I313-Y324 HydrophobicContact CD1-CD1 4.27Å; I313-Y324 HydrophobicContact CD1-CG 4.48Å; I313-Y324 HydrophobicContact CG1-CD1 4.47Å; I313-Y324 PolarHBondContact N-O 3.14Å; I313-Y324 PolarHBondContact O-N 2.88Å |
| 314 | F | 95.9 | Very high | 94.1 | Very high | 28 Ų | 28 | 33.9 Ų | 33.9 | 12% | 0.123 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 146.3 | 179.7 | -56.2 | -89.3 | 0 | 0 | 0 | 109.9 | W199 P207 S208 K210 K312 P321 T322 | W199-F314 HydrophobicContact CH2-CD2 4.39Å; W199-F314 AromaticContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CE2 3.77Å; W199-F314 HydrophobicContact CH2-CZ 4.24Å; W199-F314 AromaticContact CZ3-CD2 3.72Å; W199-F314 HydrophobicContact CZ3-CD2 3.72Å; W199-F314 AromaticContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CE2 3.48Å; W199-F314 VanDerWaalsContact CZ3-CE2 3.48Å; W199-F314 HydrophobicContact CZ3-CZ 4.36Å; P207-F314 WeakPolarHBondContact CA-O 3.46Å; P207-F314 WeakPolarHBondContact CB-O 3.4Å; S208-F314 PolarHBondContact N-O 3.36Å; S208-F314 PolarHBondContact O-N 3.29Å; K210-F314 HydrophobicContact CB-CE2 4.24Å; K312-F314 HydrophobicContact CB-CE2 3.8Å; K312-F314 HydrophobicContact CB-CZ 3.79Å; K312-F314 HydrophobicContact CD-CE1 4.36Å; K312-F314 HydrophobicContact CD-CZ 3.92Å; F314-P321 WeakPolarHBondContact CA-O 3.49Å; F314-T322 WeakPolarHBondContact CE1-OG1 3.44Å |
| 315 | Q | 94.7 | Very high | 94.1 | Very high | 114 Ų | 114 | 39.1 Ų | 39.1 | 53% | 0.533 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -68.8 | -40.6 | 179.5 | -169.9 | -178.2 | 7.2 | 0 | 0 | 112.5 | P207 P321 L323 | P207-Q315 WeakPolarHBondContact CA-O 3.43Å; Q315-P321 HydrophobicContact CB-CG 3.95Å; Q315-P321 PolarHBondContact N-O 3.02Å; Q315-L323 HydrophobicContact CB-CD1 4.04Å; Q315-L323 HydrophobicContact CB-CD2 4.04Å; Q315-L323 HydrophobicContact CB-CG 3.96Å; Q315-L323 HydrophobicContact CG-CD1 4.42Å; Q315-L323 HydrophobicContact CG-CD2 4.4Å |
| 316 | G | 93.3 | Very high | 94.1 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 18% | 0.175 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -94.9 | 171.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | S208 F318 G319 | S208-G316 VanDerWaalsContact CB-O 3.3Å; S208-G316 WeakPolarHBondContact CB-O 3.46Å; S208-G316 PolarHBondContact OG-O 2.86Å; G316-F318 PolarHBondContact O-N 3.07Å; G316-G319 CarbonylContact C-O 3.59Å; G316-G319 VanDerWaalsContact CA-O 3.29Å; G316-G319 WeakPolarHBondContact CA-O 3.49Å; G316-G319 PolarHBondContact N-O 3.18Å |
| 317 | S | 91.1 | Very high | 94 | Very high | 11 Ų | 11 | 41.8 Ų | 41.8 | 8% | 0.077 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -75.9 | 116.5 | 173.1 | -171 | 0 | 0 | 0 | 0 | 111 | N174 S201 C203 P204 G319 | N174-S317 PolarHBondContact ND2-O 2.82Å; N174-S317 VanDerWaalsContact OD1-CB 3.27Å; N174-S317 WeakPolarHBondContact OD1-CB 2.99Å; N174-S317 PolarHBondContact OD1-OG 3.26Å; S201-S317 WeakPolarHBondContact OG-CA 3.46Å; S201-S317 WeakPolarHBondContact OG-CB 2.91Å; S201-S317 PolarHBondContact OG-OG 2.91Å; C203-S317 PolarHBondContact SG-OG 3.28Å; C203-S317 VanDerWaalsContact SG-OG 3.4Å; P204-S317 WeakPolarHBondContact O-CB 3.44Å; S317-G319 PolarHBondContact O-N 3.16Å; S317-G319 VanDerWaalsContact O-N 3.14Å |
| 318 | F | 89.4 | Confident | 93.6 | Very high | 15 Ų | 15 | 46.9 Ų | 46.9 | 7% | 0.066 | 27% | 0.272 | C | S | . | . | S | Bend | trans | 57.9 | 18.6 | -178.4 | -65.8 | -82.7 | 0 | 0 | 0 | 115.8 | L170 V173 C185 F187 W199 S208 G316 | L170-F318 HydrophobicContact CB-CB 3.88Å; L170-F318 HydrophobicContact CB-CD1 4.29Å; L170-F318 HydrophobicContact CB-CG 4.42Å; V173-F318 HydrophobicContact CB-CD2 3.99Å; V173-F318 HydrophobicContact CB-CE2 4Å; V173-F318 HydrophobicContact CB-CG 4.39Å; V173-F318 HydrophobicContact CB-CZ 4.38Å; V173-F318 HydrophobicContact CG1-CD2 3.89Å; V173-F318 HydrophobicContact CG1-CE1 4.35Å; V173-F318 HydrophobicContact CG1-CE2 3.38Å; V173-F318 HydrophobicContact CG1-CZ 3.66Å; C185-F318 HydrophobicContact CB-CE2 4.04Å; C185-F318 HydrophobicContact CB-CZ 4.2Å; C185-F318 VanDerWaalsContact SG-CZ 3.59Å; F187-F318 HydrophobicContact CB-CE1 3.94Å; F187-F318 HydrophobicContact CB-CZ 3.96Å; F187-F318 HydrophobicContact CD1-CE1 4.01Å; F187-F318 HydrophobicContact CG-CE1 4.35Å; W199-F318 HydrophobicContact CB-CD1 4.33Å; W199-F318 HydrophobicContact CB-CE1 3.47Å; W199-F318 VanDerWaalsContact CB-CE1 3.47Å; W199-F318 HydrophobicContact CB-CZ 4.12Å; W199-F318 HydrophobicContact CD2-CD1 4.12Å; W199-F318 HydrophobicContact CD2-CE1 4.11Å; W199-F318 HydrophobicContact CE3-CD1 4.09Å; W199-F318 HydrophobicContact CE3-CE1 4.33Å; W199-F318 HydrophobicContact CG-CD1 4.29Å; W199-F318 AromaticContact CG-CE1 3.81Å; W199-F318 HydrophobicContact CG-CE1 3.81Å; S208-F318 PolarHBondContact OG-N 3.44Å; G316-F318 PolarHBondContact O-N 3.07Å |
| 319 | G | 87.3 | Confident | 93.4 | Very high | 29 Ų | 29 | 48.7 Ų | 48.7 | 30% | 0.299 | 28% | 0.28 | S | S | . | . | trans | -177.3 | -163.8 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | G316 S317 | G316-G319 CarbonylContact C-O 3.59Å; G316-G319 VanDerWaalsContact CA-O 3.29Å; G316-G319 WeakPolarHBondContact CA-O 3.49Å; G316-G319 PolarHBondContact N-O 3.18Å; S317-G319 PolarHBondContact O-N 3.16Å; S317-G319 VanDerWaalsContact O-N 3.14Å | ||
| 320 | G | 90.2 | Very high | 93.2 | Very high | 56 Ų | 56 | 56 Ų | 56 | 58% | 0.577 | 31% | 0.307 | S | S | * | . | S | Bend | trans | 84.1 | -177.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 321 | P | 94.6 | Very high | 93.1 | Very high | 78 Ų | 78 | 57.4 Ų | 57.4 | 51% | 0.506 | 32% | 0.317 | S | S | . | . | trans | -64.9 | 150.3 | -179.3 | 28.1 | -35.2 | 0 | 0 | 0 | 111.7 | F314 Q315 | F314-P321 WeakPolarHBondContact CA-O 3.49Å; Q315-P321 HydrophobicContact CB-CG 3.95Å; Q315-P321 PolarHBondContact N-O 3.02Å | ||
| 322 | T | 95.3 | Very high | 93 | Very high | 62 Ų | 62 | 57.8 Ų | 57.8 | 38% | 0.38 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 116.3 | 175.9 | -59.1 | 0 | 0 | 0 | 0 | 108.7 | K312 I313 F314 Y324 E325 | K312-T322 HydrophobicContact CB-CG2 4.14Å; K312-T322 HydrophobicContact CD-CG2 4.1Å; K312-T322 HydrophobicContact CG-CG2 4.04Å; I313-T322 CarbonylContact O-C 3.56Å; I313-T322 WeakPolarHBondContact O-CA 3.43Å; F314-T322 WeakPolarHBondContact CE1-OG1 3.44Å; T322-Y324 VanDerWaalsContact CG2-O 3.27Å; T322-Y324 WeakPolarHBondContact CG2-O 3.4Å; T322-E325 HydrophobicContact CG2-CB 4.29Å |
| 323 | L | 94.3 | Very high | 92.8 | Very high | 98 Ų | 98 | 57.4 Ų | 57.4 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | -32.9 | 176.9 | -64.9 | 177.7 | 0 | 0 | 0 | 112.1 | I313 Q315 | I313-L323 HydrophobicContact CG2-CB 4.41Å; I313-L323 HydrophobicContact CG2-CD1 4.42Å; I313-L323 PolarHBondContact O-N 3.36Å; Q315-L323 HydrophobicContact CB-CD1 4.04Å; Q315-L323 HydrophobicContact CB-CD2 4.04Å; Q315-L323 HydrophobicContact CB-CG 3.96Å; Q315-L323 HydrophobicContact CG-CD1 4.42Å; Q315-L323 HydrophobicContact CG-CD2 4.4Å |
| 324 | Y | 95.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 61.1 Ų | 61.1 | 20% | 0.2 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.8 | 140.2 | -179.5 | 177 | -94.5 | 0 | 0 | 0 | 110.2 | Q247 L310 K312 I313 T322 N326 | Q247-Y324 HydrophobicContact CB-CD1 4.28Å; Q247-Y324 HydrophobicContact CB-CD2 4.08Å; Q247-Y324 HydrophobicContact CB-CE1 4.47Å; Q247-Y324 HydrophobicContact CB-CE2 4.27Å; Q247-Y324 HydrophobicContact CB-CG 4.08Å; Q247-Y324 HydrophobicContact CG-CD2 4.32Å; Q247-Y324 HydrophobicContact CG-CE1 4.4Å; Q247-Y324 HydrophobicContact CG-CE2 4Å; L310-Y324 HydrophobicContact CD2-CD1 3.82Å; L310-Y324 HydrophobicContact CD2-CE1 3.59Å; L310-Y324 HydrophobicContact CG-CD1 4.46Å; L310-Y324 HydrophobicContact CG-CE1 4.3Å; K312-Y324 CarbonylContact C-O 3.56Å; K312-Y324 WeakPolarHBondContact CA-O 3.47Å; I313-Y324 HydrophobicContact CD1-CD1 4.27Å; I313-Y324 HydrophobicContact CD1-CG 4.48Å; I313-Y324 HydrophobicContact CG1-CD1 4.47Å; I313-Y324 PolarHBondContact N-O 3.14Å; I313-Y324 PolarHBondContact O-N 2.88Å; T322-Y324 VanDerWaalsContact CG2-O 3.27Å; T322-Y324 WeakPolarHBondContact CG2-O 3.4Å; Y324-N326 HydrophobicContact CE1-CB 3.99Å |
| 325 | E | 94.6 | Very high | 92.5 | Very high | 110 Ų | 110 | 64.5 Ų | 64.5 | 51% | 0.514 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 131.7 | 171.1 | 175.6 | 158.1 | -155.8 | 0 | 0 | 109.2 | K312 T322 P327 | K312-E325 WeakPolarHBondContact CE-OE1 3.38Å; K312-E325 HydrophobicContact CG-CB 4.06Å; K312-E325 HydrophobicContact CG-CG 4.02Å; K312-E325 IonicContact NZ-OE1 2.64Å; K312-E325 PolarHBondContact NZ-OE1 2.95Å; K312-E325 IonicContact NZ-OE2 2.61Å; K312-E325 PolarHBondContact NZ-OE2 2.83Å; T322-E325 HydrophobicContact CG2-CB 4.29Å; E325-P327 VanDerWaalsContact O-CD 3.26Å; E325-P327 WeakPolarHBondContact O-CD 3.47Å |
| 326 | N | 93.6 | Very high | 92.5 | Very high | 9 Ų | 9 | 62.6 Ų | 62.6 | 5% | 0.048 | 34% | 0.344 | C | S | . | . | trans | -80.6 | 111.4 | -177.9 | -179.5 | 0.8 | 0 | 0 | 0 | 110.6 | L310 I311 Y324 N328 F329 | L310-N326 VanDerWaalsContact O-CB 3.26Å; L310-N326 WeakPolarHBondContact O-CB 3.34Å; L310-N326 PolarHBondContact O-ND2 3.17Å; I311-N326 PolarHBondContact O-N 3.35Å; Y324-N326 HydrophobicContact CE1-CB 3.99Å; N326-N328 PolarHBondContact O-N 2.8Å; N326-N328 WeakPolarHBondContact OD1-CB 3.12Å; N326-N328 PolarHBondContact OD1-N 3.4Å; N326-F329 HydrophobicContact CB-CB 4Å; N326-F329 WeakPolarHBondContact O-CB 3.46Å; N326-F329 PolarHBondContact O-N 2.81Å; N326-F329 VanDerWaalsContact O-N 3.14Å | ||
| 327 | P | 92.1 | Very high | 92.6 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 72% | 0.721 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -25.7 | -179.9 | 28.5 | -35.7 | 0 | 0 | 0 | 112.6 | E325 F329 | E325-P327 VanDerWaalsContact O-CD 3.26Å; E325-P327 WeakPolarHBondContact O-CD 3.47Å; P327-F329 VanDerWaalsContact C-N 3.26Å; P327-F329 PolarHBondContact O-N 2.99Å |
| 328 | N | 90.1 | Very high | 92.8 | Very high | 108 Ų | 108 | 72.8 Ų | 72.8 | 58% | 0.578 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -5.5 | 180 | -62.7 | -26.1 | 0 | 0 | 0 | 112.6 | N326 R330 | N326-N328 PolarHBondContact O-N 2.8Å; N326-N328 WeakPolarHBondContact OD1-CB 3.12Å; N326-N328 PolarHBondContact OD1-N 3.4Å; N328-R330 PolarHBondContact O-N 3.08Å |
| 329 | F | 92.4 | Very high | 93.1 | Very high | 39 Ų | 39 | 76.6 Ų | 76.6 | 17% | 0.171 | 40% | 0.399 | C | S | . | . | trans | -76.3 | 104.3 | -178.3 | 178.2 | -102.1 | 0 | 0 | 0 | 112.6 | L212 I311 N326 P327 | L212-F329 HydrophobicContact CB-CE2 3.76Å; L212-F329 HydrophobicContact CB-CZ 4.27Å; L212-F329 HydrophobicContact CD2-CE2 3.85Å; L212-F329 HydrophobicContact CD2-CZ 4.36Å; L212-F329 HydrophobicContact CG-CE2 4.42Å; I311-F329 HydrophobicContact CB-CD1 4.35Å; I311-F329 HydrophobicContact CB-CE1 4.42Å; I311-F329 HydrophobicContact CB-CG 4.46Å; I311-F329 HydrophobicContact CD1-CE1 3.93Å; I311-F329 HydrophobicContact CD1-CE2 3.89Å; I311-F329 HydrophobicContact CD1-CZ 3.51Å; I311-F329 HydrophobicContact CG1-CD1 4.18Å; I311-F329 HydrophobicContact CG1-CD2 3.86Å; I311-F329 HydrophobicContact CG1-CE1 3.94Å; I311-F329 HydrophobicContact CG1-CE2 3.62Å; I311-F329 HydrophobicContact CG1-CG 4.15Å; I311-F329 HydrophobicContact CG1-CZ 3.66Å; I311-F329 HydrophobicContact CG2-CD1 3.76Å; I311-F329 HydrophobicContact CG2-CE1 3.79Å; I311-F329 HydrophobicContact CG2-CG 4.32Å; I311-F329 HydrophobicContact CG2-CZ 4.39Å; N326-F329 HydrophobicContact CB-CB 4Å; N326-F329 WeakPolarHBondContact O-CB 3.46Å; N326-F329 PolarHBondContact O-N 2.81Å; N326-F329 VanDerWaalsContact O-N 3.14Å; P327-F329 VanDerWaalsContact C-N 3.26Å; P327-F329 PolarHBondContact O-N 2.99Å | ||
| 330 | R | 91.2 | Very high | 93.6 | Very high | 165 Ų | 165 | 84 Ų | 84 | 62% | 0.623 | 42% | 0.418 | S | S | * | . | trans | -92.9 | 123.2 | 165.9 | -63.3 | -166.5 | -174.4 | -156.7 | 7.1 | 111.3 | N328 E338 | N328-R330 PolarHBondContact O-N 3.08Å; R330-E338 IonicContact CZ-OE1 2.6Å; R330-E338 IonicContact NH1-OE1 3.86Å; R330-E338 PolarHBondContact NH1-OE1 2.85Å; R330-E338 IonicContact NH1-OE2 2.75Å | ||
| 331 | S | 92.3 | Very high | 93.9 | Very high | 33 Ų | 33 | 86.3 Ų | 86.3 | 23% | 0.231 | 42% | 0.416 | C | S | . | . | trans | -68 | 144.8 | 177 | 80.4 | 0 | 0 | 0 | 0 | 112.1 | N333 L334 H335 | S331-N333 PolarHBondContact O-N 2.73Å; S331-N333 VanDerWaalsContact O-N 3.09Å; S331-L334 WeakPolarHBondContact O-CB 3.34Å; S331-L334 PolarHBondContact O-N 2.84Å; S331-L334 WeakPolarHBondContact OG-CB 3.33Å; S331-L334 PolarHBondContact OG-N 2.97Å; S331-H335 PolarHBondContact O-N 3.27Å | ||
| 332 | P | 93.2 | Very high | 94 | Very high | 21 Ų | 21 | 85 Ų | 85 | 14% | 0.136 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -58.1 | -26.6 | 176.4 | -26.8 | 34.9 | 0 | 0 | 0 | 113.8 | D195 L212 R336 | D195-P332 WeakPolarHBondContact OD1-CB 3.18Å; L212-P332 HydrophobicContact CD1-CG 3.81Å; L212-P332 HydrophobicContact CD2-CG 3.68Å; L212-P332 HydrophobicContact CG-CG 4.43Å; P332-R336 WeakPolarHBondContact O-CB 3.16Å; P332-R336 WeakPolarHBondContact O-CG 3.46Å; P332-R336 PolarHBondContact O-N 3.01Å |
| 333 | N | 92.8 | Very high | 94.1 | Very high | 48 Ų | 48 | 84.6 Ų | 84.6 | 26% | 0.257 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -71.2 | -40.1 | 176.4 | -71 | -59.8 | 0 | 0 | 0 | 112.3 | K192 S331 R337 | K192-N333 WeakPolarHBondContact CE-OD1 3.3Å; K192-N333 PolarHBondContact NZ-OD1 3.03Å; S331-N333 PolarHBondContact O-N 2.73Å; S331-N333 VanDerWaalsContact O-N 3.09Å; N333-R337 PolarHBondContact O-N 3.21Å; N333-R337 VanDerWaalsContact O-N 3.09Å |
| 334 | L | 92.9 | Very high | 94.2 | Very high | 80 Ų | 80 | 82.2 Ų | 82.2 | 42% | 0.419 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -65.9 | -47.9 | 175.5 | -167.2 | 164.4 | 0 | 0 | 0 | 109.3 | S331 R336 R337 E338 | S331-L334 WeakPolarHBondContact O-CB 3.34Å; S331-L334 PolarHBondContact O-N 2.84Å; S331-L334 WeakPolarHBondContact OG-CB 3.33Å; S331-L334 PolarHBondContact OG-N 2.97Å; L334-R336 PolarHBondContact O-N 3.2Å; L334-R337 CarbonylContact O-C 3.5Å; L334-R337 WeakPolarHBondContact O-CA 3.43Å; L334-R337 VanDerWaalsContact O-CB 3.28Å; L334-R337 WeakPolarHBondContact O-CB 3.4Å; L334-R337 PolarHBondContact O-N 3.11Å; L334-E338 VanDerWaalsContact CD2-CD 3.42Å; L334-E338 HydrophobicContact CD2-CG 3.83Å; L334-E338 WeakPolarHBondContact CD2-OE1 3.49Å; L334-E338 PolarHBondContact O-N 3.36Å |
| 335 | H | 92.8 | Very high | 94.3 | Very high | 99 Ų | 99 | 81.7 Ų | 81.7 | 46% | 0.458 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -58.8 | -43 | 176.6 | -172.9 | 55 | 0 | 0 | 0 | 113.4 | S331 R337 E338 I339 | S331-H335 PolarHBondContact O-N 3.27Å; H335-R337 VanDerWaalsContact C-N 3.26Å; H335-R337 PolarHBondContact O-N 3.46Å; H335-E338 WeakPolarHBondContact CA-OE2 3.47Å; H335-E338 IonicContact ND1-OE2 2.79Å; H335-E338 PolarHBondContact ND1-OE2 3Å; H335-E338 PolarHBondContact O-N 2.92Å; H335-I339 WeakPolarHBondContact O-CG1 3.47Å; H335-I339 PolarHBondContact O-N 3Å |
| 336 | R | 94.3 | Very high | 94.4 | Very high | 74 Ų | 74 | 82.8 Ų | 82.8 | 28% | 0.279 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -64.1 | -27.6 | 172.5 | -72.8 | 172.8 | -167.7 | 137.6 | 11.4 | 113.2 | D195 P332 L334 R340 | D195-R336 VanDerWaalsContact CG-NH1 3.33Å; D195-R336 IonicContact OD1-CZ 2.82Å; D195-R336 VanDerWaalsContact OD1-CZ 3.3Å; D195-R336 IonicContact OD1-NH1 2.66Å; D195-R336 PolarHBondContact OD1-NH1 2.95Å; D195-R336 VanDerWaalsContact OD1-NH1 3.1Å; D195-R336 IonicContact OD1-NH2 3.92Å; D195-R336 PolarHBondContact OD1-NH2 3.42Å; D195-R336 IonicContact OD2-CZ 2.84Å; D195-R336 IonicContact OD2-NH1 2.73Å; D195-R336 PolarHBondContact OD2-NH1 3.31Å; D195-R336 IonicContact OD2-NH2 3.04Å; P332-R336 WeakPolarHBondContact O-CB 3.16Å; P332-R336 WeakPolarHBondContact O-CG 3.46Å; P332-R336 PolarHBondContact O-N 3.01Å; L334-R336 PolarHBondContact O-N 3.2Å; R336-R340 WeakPolarHBondContact O-CD 3.45Å; R336-R340 VanDerWaalsContact O-CG 3.23Å; R336-R340 WeakPolarHBondContact O-CG 3.08Å; R336-R340 PolarHBondContact O-N 3.49Å |
| 337 | R | 95.2 | Very high | 94.5 | Very high | 177 Ų | 177 | 86.4 Ų | 86.4 | 67% | 0.668 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -73.8 | -46.4 | 174 | -176.4 | -174.1 | 177 | -175 | -1 | 110.6 | N333 L334 H335 I339 R340 L341 | N333-R337 PolarHBondContact O-N 3.21Å; N333-R337 VanDerWaalsContact O-N 3.09Å; L334-R337 CarbonylContact O-C 3.5Å; L334-R337 WeakPolarHBondContact O-CA 3.43Å; L334-R337 VanDerWaalsContact O-CB 3.28Å; L334-R337 WeakPolarHBondContact O-CB 3.4Å; L334-R337 PolarHBondContact O-N 3.11Å; H335-R337 VanDerWaalsContact C-N 3.26Å; H335-R337 PolarHBondContact O-N 3.46Å; R337-I339 PolarHBondContact O-N 3.39Å; R337-R340 PolarHBondContact O-N 2.91Å; R337-L341 HydrophobicContact CG-CD1 4.07Å; R337-L341 HydrophobicContact CG-CG 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.43Å; R337-L341 PolarHBondContact O-N 2.84Å |
| 338 | E | 95.5 | Very high | 94.7 | Very high | 66 Ų | 66 | 88.5 Ų | 88.5 | 31% | 0.308 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -54 | -50.9 | 174.7 | -69.4 | 168.8 | 155.3 | 0 | 0 | 111.1 | R330 L334 H335 R340 L341 A342 | R330-E338 IonicContact CZ-OE1 2.6Å; R330-E338 IonicContact NH1-OE1 3.86Å; R330-E338 PolarHBondContact NH1-OE1 2.85Å; R330-E338 IonicContact NH1-OE2 2.75Å; L334-E338 VanDerWaalsContact CD2-CD 3.42Å; L334-E338 HydrophobicContact CD2-CG 3.83Å; L334-E338 WeakPolarHBondContact CD2-OE1 3.49Å; L334-E338 PolarHBondContact O-N 3.36Å; H335-E338 WeakPolarHBondContact CA-OE2 3.47Å; H335-E338 IonicContact ND1-OE2 2.79Å; H335-E338 PolarHBondContact ND1-OE2 3Å; H335-E338 PolarHBondContact O-N 2.92Å; E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 3.5Å; E338-L341 PolarHBondContact O-N 2.84Å; E338-L341 VanDerWaalsContact O-N 3.16Å; E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 2.73Å |
| 339 | I | 96.1 | Very high | 95 | Very high | 95 Ų | 95 | 89 Ų | 89 | 49% | 0.487 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -57.7 | -42.2 | 178.6 | -68.3 | 166.6 | 0 | 0 | 0 | 111.7 | H335 R337 A343 | H335-I339 WeakPolarHBondContact O-CG1 3.47Å; H335-I339 PolarHBondContact O-N 3Å; R337-I339 PolarHBondContact O-N 3.39Å; I339-A343 WeakPolarHBondContact O-CB 3.43Å; I339-A343 PolarHBondContact O-N 2.87Å |
| 340 | R | 96.4 | Very high | 95.2 | Very high | 185 Ų | 185 | 93.9 Ų | 93.9 | 70% | 0.698 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -67.9 | -40.5 | 178.1 | -71.9 | 170.3 | -171.7 | -172 | 0.7 | 112.3 | R336 R337 E338 A343 A344 | R336-R340 WeakPolarHBondContact O-CD 3.45Å; R336-R340 VanDerWaalsContact O-CG 3.23Å; R336-R340 WeakPolarHBondContact O-CG 3.08Å; R336-R340 PolarHBondContact O-N 3.49Å; R337-R340 PolarHBondContact O-N 2.91Å; E338-R340 VanDerWaalsContact C-N 3.3Å; E338-R340 PolarHBondContact O-N 3.5Å; R340-A343 PolarHBondContact O-N 3.25Å; R340-A344 WeakPolarHBondContact O-CB 3.38Å; R340-A344 PolarHBondContact O-N 3.41Å |
| 341 | L | 96.9 | Very high | 95.4 | Very high | 103 Ų | 103 | 90.8 Ų | 90.8 | 54% | 0.539 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | 176.7 | -72.6 | 174 | 0 | 0 | 0 | 111.3 | R337 E338 A343 A344 A345 | R337-L341 HydrophobicContact CG-CD1 4.07Å; R337-L341 HydrophobicContact CG-CG 4.45Å; R337-L341 WeakPolarHBondContact O-CG 3.43Å; R337-L341 PolarHBondContact O-N 2.84Å; E338-L341 PolarHBondContact O-N 2.84Å; E338-L341 VanDerWaalsContact O-N 3.16Å; L341-A343 PolarHBondContact O-N 2.69Å; L341-A344 PolarHBondContact O-N 2.98Å; L341-A345 WeakPolarHBondContact O-CB 3.43Å; L341-A345 PolarHBondContact O-N 3.29Å |
| 342 | A | 96.7 | Very high | 95.6 | Very high | 51 Ų | 51 | 94.7 Ų | 94.7 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | E338 A345 K346 | E338-A342 WeakPolarHBondContact O-CB 3.42Å; E338-A342 PolarHBondContact O-N 2.73Å; A342-A345 PolarHBondContact O-N 2.26Å; A342-K346 WeakPolarHBondContact O-CG 3.43Å; A342-K346 PolarHBondContact O-N 3.05Å |
| 343 | A | 96.9 | Very high | 95.7 | Very high | 53 Ų | 53 | 97.1 Ų | 97.1 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | I339 R340 L341 K346 V347 | I339-A343 WeakPolarHBondContact O-CB 3.43Å; I339-A343 PolarHBondContact O-N 2.87Å; R340-A343 PolarHBondContact O-N 3.25Å; L341-A343 PolarHBondContact O-N 2.69Å; A343-K346 PolarHBondContact O-N 2.9Å; A343-V347 WeakPolarHBondContact O-CG2 3.06Å; A343-V347 PolarHBondContact O-N 3.02Å; A343-V347 VanDerWaalsContact O-N 3.13Å |
| 344 | A | 97.1 | Very high | 95.9 | Very high | 48 Ų | 48 | 101.2 Ų | 101.2 | 40% | 0.397 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -38.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | R340 L341 V347 R348 | R340-A344 WeakPolarHBondContact O-CB 3.38Å; R340-A344 PolarHBondContact O-N 3.41Å; L341-A344 PolarHBondContact O-N 2.98Å; A344-V347 PolarHBondContact O-N 3.38Å; A344-R348 WeakPolarHBondContact O-CG 3.21Å; A344-R348 PolarHBondContact O-N 3.27Å |
| 345 | A | 97.2 | Very high | 96 | Very high | 40 Ų | 40 | 102.3 Ų | 102.3 | 33% | 0.331 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.5 | -49.5 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | L341 A342 V347 R348 E349 | L341-A345 WeakPolarHBondContact O-CB 3.43Å; L341-A345 PolarHBondContact O-N 3.29Å; A342-A345 PolarHBondContact O-N 2.26Å; A345-V347 PolarHBondContact O-N 2.94Å; A345-R348 PolarHBondContact O-N 3.09Å; A345-R348 VanDerWaalsContact O-N 3.1Å; A345-E349 WeakPolarHBondContact O-CB 3.42Å; A345-E349 PolarHBondContact O-N 3Å |
| 346 | K | 96.9 | Very high | 96 | Very high | 134 Ų | 134 | 102 Ų | 102 | 58% | 0.583 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.8 | -24.5 | 175 | -71.1 | 179.2 | -180 | -171.7 | 0 | 113.9 | A342 A343 K350 | A342-K346 WeakPolarHBondContact O-CG 3.43Å; A342-K346 PolarHBondContact O-N 3.05Å; A343-K346 PolarHBondContact O-N 2.9Å; K346-K350 WeakPolarHBondContact O-CD 3.23Å; K346-K350 VanDerWaalsContact O-CG 3.25Å; K346-K350 WeakPolarHBondContact O-CG 3.45Å; K346-K350 PolarHBondContact O-N 2.74Å |
| 347 | V | 96.5 | Very high | 95.9 | Very high | 84 Ų | 84 | 103.4 Ų | 103.4 | 51% | 0.509 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -79 | -44.6 | 173.1 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | A343 A344 A345 K350 Q351 | A343-V347 WeakPolarHBondContact O-CG2 3.06Å; A343-V347 PolarHBondContact O-N 3.02Å; A343-V347 VanDerWaalsContact O-N 3.13Å; A344-V347 PolarHBondContact O-N 3.38Å; A345-V347 PolarHBondContact O-N 2.94Å; V347-K350 PolarHBondContact O-N 3.11Å; V347-Q351 WeakPolarHBondContact O-CG 3.39Å; V347-Q351 PolarHBondContact O-N 3.12Å; V347-Q351 VanDerWaalsContact O-N 3.07Å |
| 348 | R | 96.4 | Very high | 95.9 | Very high | 156 Ų | 156 | 101.2 Ų | 101.2 | 59% | 0.589 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.1 | -45.2 | 176.1 | -70.5 | -171.9 | -63.4 | 173.5 | 3.5 | 112.2 | A344 A345 K350 Q351 M352 | A344-R348 WeakPolarHBondContact O-CG 3.21Å; A344-R348 PolarHBondContact O-N 3.27Å; A345-R348 PolarHBondContact O-N 3.09Å; A345-R348 VanDerWaalsContact O-N 3.1Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 2.94Å; R348-Q351 WeakPolarHBondContact O-CA 3.38Å; R348-Q351 WeakPolarHBondContact O-CB 3.25Å; R348-Q351 PolarHBondContact O-N 3.15Å; R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.28Å |
| 349 | E | 96.1 | Very high | 95.6 | Very high | 118 Ų | 118 | 102.2 Ų | 102.2 | 55% | 0.551 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -54.6 | -45.4 | 173.9 | -176.6 | -175.2 | -167.8 | 0 | 0 | 111.7 | A345 Q351 M352 V353 | A345-E349 WeakPolarHBondContact O-CB 3.42Å; A345-E349 PolarHBondContact O-N 3Å; E349-Q351 VanDerWaalsContact C-N 3.26Å; E349-Q351 PolarHBondContact O-N 3.28Å; E349-M352 PolarHBondContact O-N 3.01Å; E349-V353 WeakPolarHBondContact O-CG2 3.46Å; E349-V353 PolarHBondContact O-N 3.28Å |
| 350 | K | 95.8 | Very high | 95.3 | Very high | 142 Ų | 142 | 104.5 Ų | 104.5 | 62% | 0.617 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.3 | -19.7 | 175 | -73.4 | 176.1 | -176.6 | -174.3 | 0 | 114.5 | K346 V347 R348 K354 | K346-K350 WeakPolarHBondContact O-CD 3.23Å; K346-K350 VanDerWaalsContact O-CG 3.25Å; K346-K350 WeakPolarHBondContact O-CG 3.45Å; K346-K350 PolarHBondContact O-N 2.74Å; V347-K350 PolarHBondContact O-N 3.11Å; R348-K350 VanDerWaalsContact C-N 3.31Å; R348-K350 PolarHBondContact O-N 2.94Å; K350-K354 WeakPolarHBondContact O-CD 3.48Å; K350-K354 VanDerWaalsContact O-CG 3.25Å; K350-K354 WeakPolarHBondContact O-CG 3.47Å |
| 351 | Q | 96.3 | Very high | 94.9 | Very high | 100 Ų | 100 | 104.7 Ų | 104.7 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -81.2 | -48.8 | 172.3 | -69.9 | 170.8 | -66.8 | 0 | 0 | 109.8 | V347 R348 E349 V353 K354 E355 | V347-Q351 WeakPolarHBondContact O-CG 3.39Å; V347-Q351 PolarHBondContact O-N 3.12Å; V347-Q351 VanDerWaalsContact O-N 3.07Å; R348-Q351 WeakPolarHBondContact O-CA 3.38Å; R348-Q351 WeakPolarHBondContact O-CB 3.25Å; R348-Q351 PolarHBondContact O-N 3.15Å; E349-Q351 VanDerWaalsContact C-N 3.26Å; E349-Q351 PolarHBondContact O-N 3.28Å; Q351-V353 PolarHBondContact O-N 2.92Å; Q351-K354 CarbonylContact O-C 3.55Å; Q351-K354 WeakPolarHBondContact O-CA 3.34Å; Q351-K354 WeakPolarHBondContact O-CB 3.49Å; Q351-K354 PolarHBondContact O-N 3.23Å; Q351-E355 PolarHBondContact O-N 2.78Å |
| 352 | M | 95.7 | Very high | 94.3 | Very high | 114 Ų | 114 | 105 Ų | 105 | 56% | 0.562 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -54.7 | -47.1 | 174.6 | -68.8 | 164.1 | 166.4 | 0 | 0 | 112 | R348 E349 K354 E355 I356 | R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.28Å; E349-M352 PolarHBondContact O-N 3.01Å; M352-K354 VanDerWaalsContact C-N 3.28Å; M352-K354 PolarHBondContact O-N 2.77Å; M352-E355 PolarHBondContact O-N 3.34Å; M352-E355 VanDerWaalsContact O-N 3.14Å; M352-I356 VanDerWaalsContact O-CG1 3.29Å; M352-I356 WeakPolarHBondContact O-CG1 3.47Å; M352-I356 PolarHBondContact O-N 3.08Å |
| 353 | V | 95.7 | Very high | 93.5 | Very high | 72 Ų | 72 | 107 Ų | 107 | 44% | 0.436 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.2 | -35.6 | 176 | 171.3 | 0 | 0 | 0 | 0 | 112.1 | E349 Q351 Q357 | E349-V353 WeakPolarHBondContact O-CG2 3.46Å; E349-V353 PolarHBondContact O-N 3.28Å; Q351-V353 PolarHBondContact O-N 2.92Å; V353-Q357 WeakPolarHBondContact O-CB 3.27Å; V353-Q357 VanDerWaalsContact O-CG 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.3Å; V353-Q357 PolarHBondContact O-N 3.32Å |
| 354 | K | 96.1 | Very high | 92.5 | Very high | 135 Ų | 135 | 108.2 Ų | 108.2 | 59% | 0.587 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -73 | -32.8 | 175.7 | -75.7 | 174.6 | -179.5 | -175.9 | 0 | 112.8 | K350 Q351 M352 K358 | K350-K354 WeakPolarHBondContact O-CD 3.48Å; K350-K354 VanDerWaalsContact O-CG 3.25Å; K350-K354 WeakPolarHBondContact O-CG 3.47Å; Q351-K354 CarbonylContact O-C 3.55Å; Q351-K354 WeakPolarHBondContact O-CA 3.34Å; Q351-K354 WeakPolarHBondContact O-CB 3.49Å; Q351-K354 PolarHBondContact O-N 3.23Å; M352-K354 VanDerWaalsContact C-N 3.28Å; M352-K354 PolarHBondContact O-N 2.77Å; K354-K358 WeakPolarHBondContact O-CG 3.49Å; K354-K358 PolarHBondContact O-N 2.98Å |
| 355 | E | 94.8 | Very high | 91.2 | Very high | 103 Ų | 103 | 114.5 Ų | 114.5 | 48% | 0.481 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -70.3 | -47 | 175.6 | -75.7 | 154.3 | -167.1 | 0 | 0 | 110 | Q351 M352 Q357 K358 I359 | Q351-E355 PolarHBondContact O-N 2.78Å; M352-E355 PolarHBondContact O-N 3.34Å; M352-E355 VanDerWaalsContact O-N 3.14Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.23Å; E355-K358 WeakPolarHBondContact O-CA 3.34Å; E355-K358 WeakPolarHBondContact O-CB 3.34Å; E355-K358 PolarHBondContact O-N 3.06Å; E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 2.9Å |
| 356 | I | 94.4 | Very high | 89.5 | Confident | 92 Ų | 92 | 119.3 Ų | 119.3 | 47% | 0.472 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -57.1 | -41.3 | 171.4 | -65 | 162.7 | 0 | 0 | 0 | 111.2 | M352 K358 I359 K360 | M352-I356 VanDerWaalsContact O-CG1 3.29Å; M352-I356 WeakPolarHBondContact O-CG1 3.47Å; M352-I356 PolarHBondContact O-N 3.08Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.21Å; I356-I359 PolarHBondContact O-N 2.83Å; I356-K360 HydrophobicContact CG2-CD 4.34Å; I356-K360 WeakPolarHBondContact O-CB 3.11Å; I356-K360 WeakPolarHBondContact O-CG 3.44Å; I356-K360 PolarHBondContact O-N 2.89Å |
| 357 | Q | 91.9 | Very high | 87.9 | Confident | 103 Ų | 103 | 122 Ų | 122 | 48% | 0.481 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -69.2 | -23.3 | 174.9 | -78.3 | 177.4 | -0.5 | 0 | 0 | 114.3 | V353 E355 R361 | V353-Q357 WeakPolarHBondContact O-CB 3.27Å; V353-Q357 VanDerWaalsContact O-CG 3.23Å; V353-Q357 WeakPolarHBondContact O-CG 3.3Å; V353-Q357 PolarHBondContact O-N 3.32Å; E355-Q357 VanDerWaalsContact C-N 3.29Å; E355-Q357 PolarHBondContact O-N 3.23Å; Q357-R361 WeakPolarHBondContact O-CD 3.27Å; Q357-R361 WeakPolarHBondContact O-CG 3.36Å |
| 358 | K | 93.6 | Very high | 86.2 | Confident | 132 Ų | 132 | 125 Ų | 125 | 57% | 0.574 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -78 | -47.7 | 172.1 | -77.5 | 172 | 175.7 | -174.2 | 0 | 110.5 | K354 E355 I356 R361 Q362 | K354-K358 WeakPolarHBondContact O-CG 3.49Å; K354-K358 PolarHBondContact O-N 2.98Å; E355-K358 WeakPolarHBondContact O-CA 3.34Å; E355-K358 WeakPolarHBondContact O-CB 3.34Å; E355-K358 PolarHBondContact O-N 3.06Å; I356-K358 VanDerWaalsContact C-N 3.31Å; I356-K358 PolarHBondContact O-N 3.21Å; K358-R361 CarbonylContact O-C 3.53Å; K358-R361 WeakPolarHBondContact O-CA 3.09Å; K358-R361 WeakPolarHBondContact O-CB 3.37Å; K358-R361 PolarHBondContact O-N 3.16Å; K358-Q362 WeakPolarHBondContact O-CG 3.43Å; K358-Q362 PolarHBondContact O-N 3.36Å |
| 359 | I | 91.1 | Very high | 84.6 | Confident | 87 Ų | 87 | 124.9 Ų | 124.9 | 45% | 0.446 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -54.3 | -56.1 | 176.5 | -67.1 | 163.4 | 0 | 0 | 0 | 108.7 | E355 I356 R361 Q362 D363 | E355-I359 WeakPolarHBondContact O-CG1 3.48Å; E355-I359 PolarHBondContact O-N 2.9Å; I356-I359 PolarHBondContact O-N 2.83Å; I359-R361 PolarHBondContact O-N 3.44Å; I359-Q362 CarbonylContact O-C 3.53Å; I359-Q362 WeakPolarHBondContact O-CA 3.13Å; I359-Q362 WeakPolarHBondContact O-CB 3.29Å; I359-Q362 PolarHBondContact O-N 3.49Å; I359-D363 WeakPolarHBondContact CG2-OD1 3.38Å; I359-D363 VanDerWaalsContact CG2-OD2 3.31Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.4Å; I359-D363 PolarHBondContact O-N 3.05Å |
| 360 | K | 89.4 | Confident | 83.1 | Confident | 143 Ų | 143 | 126.1 Ų | 126.1 | 62% | 0.622 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -56.6 | -17.4 | 174.3 | -71.4 | -171 | 174.9 | -159.3 | 0 | 116.4 | I356 A364 | I356-K360 HydrophobicContact CG2-CD 4.34Å; I356-K360 WeakPolarHBondContact O-CB 3.11Å; I356-K360 WeakPolarHBondContact O-CG 3.44Å; I356-K360 PolarHBondContact O-N 2.89Å; K360-A364 WeakPolarHBondContact O-CB 3.19Å; K360-A364 PolarHBondContact O-N 2.82Å |
| 361 | R | 86.9 | Confident | 81.9 | Confident | 189 Ų | 189 | 124.3 Ų | 124.3 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -95.1 | -18 | 173.5 | -75.3 | 173.7 | -178.4 | -162.6 | -0.2 | 113.2 | Q357 K358 I359 K365 | Q357-R361 WeakPolarHBondContact O-CD 3.27Å; Q357-R361 WeakPolarHBondContact O-CG 3.36Å; K358-R361 CarbonylContact O-C 3.53Å; K358-R361 WeakPolarHBondContact O-CA 3.09Å; K358-R361 WeakPolarHBondContact O-CB 3.37Å; K358-R361 PolarHBondContact O-N 3.16Å; I359-R361 PolarHBondContact O-N 3.44Å; R361-K365 WeakPolarHBondContact O-CB 3.43Å |
| 362 | Q | 84.4 | Confident | 80.6 | Confident | 109 Ų | 109 | 126 Ų | 126 | 51% | 0.509 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -82.5 | -50 | 169.5 | -66.7 | 173.1 | -97.9 | 0 | 0 | 108.3 | K358 I359 A364 K365 E366 | K358-Q362 WeakPolarHBondContact O-CG 3.43Å; K358-Q362 PolarHBondContact O-N 3.36Å; I359-Q362 CarbonylContact O-C 3.53Å; I359-Q362 WeakPolarHBondContact O-CA 3.13Å; I359-Q362 WeakPolarHBondContact O-CB 3.29Å; I359-Q362 PolarHBondContact O-N 3.49Å; Q362-A364 PolarHBondContact O-N 2.98Å; Q362-K365 WeakPolarHBondContact O-CA 3.4Å; Q362-K365 WeakPolarHBondContact O-CB 3.19Å; Q362-K365 PolarHBondContact O-N 3.42Å; Q362-E366 PolarHBondContact O-N 2.85Å |
| 363 | D | 80.7 | Confident | 79.2 | Confident | 93 Ų | 93 | 124.4 Ų | 124.4 | 50% | 0.497 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -57.2 | -31.7 | 174.6 | -44.1 | -17.1 | 0 | 0 | 0 | 113 | I359 | I359-D363 WeakPolarHBondContact CG2-OD1 3.38Å; I359-D363 VanDerWaalsContact CG2-OD2 3.31Å; I359-D363 WeakPolarHBondContact CG2-OD2 3.4Å; I359-D363 PolarHBondContact O-N 3.05Å |
| 364 | A | 74.9 | Confident | 77.6 | Confident | 78 Ų | 78 | 124 Ų | 124 | 65% | 0.645 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.6 | 9.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | K360 Q362 | K360-A364 WeakPolarHBondContact O-CB 3.19Å; K360-A364 PolarHBondContact O-N 2.82Å; Q362-A364 PolarHBondContact O-N 2.98Å |
| 365 | K | 69.7 | Low | 76.1 | Confident | 180 Ų | 180 | 124.2 Ų | 124.2 | 78% | 0.783 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.6 | -33.4 | 172.7 | -171.8 | -166.5 | 174.7 | -154.4 | 0 | 110.6 | R361 Q362 | R361-K365 WeakPolarHBondContact O-CB 3.43Å; Q362-K365 WeakPolarHBondContact O-CA 3.4Å; Q362-K365 WeakPolarHBondContact O-CB 3.19Å; Q362-K365 PolarHBondContact O-N 3.42Å |
| 366 | E | 62.6 | Low | 74.6 | Confident | 141 Ų | 141 | 124.2 Ų | 124.2 | 66% | 0.659 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -67.4 | 146.3 | 154.5 | -69.4 | 164.8 | -157.6 | 0 | 0 | 107.5 | Q362 | Q362-E366 PolarHBondContact O-N 2.85Š|
| 367 | E | 62.2 | Low | 73.1 | Confident | 191 Ų | 191 | 128 Ų | 128 | 89% | 0.893 | 65% | 0.652 | S | S | * | * | trans | 58.2 | 63.1 | -171.3 | -60.5 | -172.6 | 175.9 | 0 | 0 | 116.5 | ||||
| 368 | I | 61.1 | Low | 71.8 | Confident | 147 Ų | 147 | 128 Ų | 128 | 75% | 0.754 | 66% | 0.659 | S | S | * | * | -107.5 | 106.7 | 123.1 | -57.6 | 175.6 | 0 | 0 | 0 | 104.7 | N370 | I368-N370 PolarHBondContact O-N 2.74Š| |||
| 369 | D | 64.1 | Low | 70.6 | Confident | 154 Ų | 154 | 127.2 Ų | 127.2 | 82% | 0.824 | 67% | 0.665 | S | S | * | * | trans | -60.5 | 132.8 | 170.7 | -158.6 | 9.8 | 0 | 0 | 0 | 107.6 | D371 | D369-D371 PolarHBondContact O-N 3.25Š| ||
| 370 | N | 64.8 | Low | 69.3 | Low | 143 Ų | 143 | 129 Ų | 129 | 77% | 0.765 | 68% | 0.682 | S | S | * | * | trans | -66.1 | 111.4 | -172.9 | -73.5 | -54.8 | 0 | 0 | 0 | 108.3 | I368 V372 | I368-N370 PolarHBondContact O-N 2.74Å; N370-V372 PolarHBondContact O-N 3.24Å | ||
| 371 | D | 69.4 | Low | 68 | Low | 104 Ų | 104 | 127.9 Ų | 127.9 | 56% | 0.556 | 68% | 0.683 | S | S | * | * | trans | -54 | 112.4 | -179.7 | -178.1 | -11.1 | 0 | 0 | 0 | 109.5 | D369 T373 A374 | D369-D371 PolarHBondContact O-N 3.25Å; D371-T373 PolarHBondContact O-N 2.54Å; D371-T373 WeakPolarHBondContact OD1-CB 3.22Å; D371-T373 PolarHBondContact OD1-N 2.85Å; D371-T373 PolarHBondContact OD1-OG1 3.03Å; D371-T373 PolarHBondContact OD2-OG1 2.93Å; D371-A374 WeakPolarHBondContact O-CB 3.33Å; D371-A374 PolarHBondContact O-N 2.95Å | ||
| 372 | V | 68.8 | Low | 67 | Low | 137 Ų | 137 | 127.5 Ų | 127.5 | 83% | 0.83 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.5 | -18 | -177 | -173.5 | 0 | 0 | 0 | 0 | 111.4 | N370 | N370-V372 PolarHBondContact O-N 3.24Š|
| 373 | T | 66.2 | Low | 65.9 | Low | 79 Ų | 79 | 134 Ų | 134 | 49% | 0.485 | 71% | 0.709 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -91.5 | 0 | 175.3 | 66.4 | 0 | 0 | 0 | 0 | 114.7 | D371 D375 V376 | D371-T373 PolarHBondContact O-N 2.54Å; D371-T373 WeakPolarHBondContact OD1-CB 3.22Å; D371-T373 PolarHBondContact OD1-N 2.85Å; D371-T373 PolarHBondContact OD1-OG1 3.03Å; D371-T373 PolarHBondContact OD2-OG1 2.93Å; T373-D375 PolarHBondContact O-N 2.88Å; T373-V376 WeakPolarHBondContact O-CB 3.46Å; T373-V376 WeakPolarHBondContact O-CG2 3.49Å; T373-V376 PolarHBondContact O-N 3.33Å |
| 374 | A | 63.5 | Low | 65.2 | Low | 64 Ų | 64 | 137 Ų | 137 | 53% | 0.529 | 72% | 0.718 | S | S | . | * | G | 310 helix | trans | -59.1 | -31.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D371 V376 | D371-A374 WeakPolarHBondContact O-CB 3.33Å; D371-A374 PolarHBondContact O-N 2.95Å; A374-V376 VanDerWaalsContact C-N 3.29Å; A374-V376 PolarHBondContact O-N 2.81Å |
| 375 | D | 64.4 | Low | 64.6 | Low | 140 Ų | 140 | 138.6 Ų | 138.6 | 75% | 0.749 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -75.4 | -12.9 | 178.3 | -71.3 | -26.3 | 0 | 0 | 0 | 113.6 | T373 F377 | T373-D375 PolarHBondContact O-N 2.88Å; D375-F377 VanDerWaalsContact C-N 3.33Å; D375-F377 PolarHBondContact O-N 3.2Å |
| 376 | V | 63.6 | Low | 64.2 | Low | 103 Ų | 103 | 137 Ų | 137 | 62% | 0.624 | 73% | 0.727 | S | S | * | * | G | 310 helix | trans | -74.4 | -23.1 | -175.2 | -178.9 | 0 | 0 | 0 | 0 | 112.5 | T373 A374 | T373-V376 WeakPolarHBondContact O-CB 3.46Å; T373-V376 WeakPolarHBondContact O-CG2 3.49Å; T373-V376 PolarHBondContact O-N 3.33Å; A374-V376 VanDerWaalsContact C-N 3.29Å; A374-V376 PolarHBondContact O-N 2.81Å |
| 377 | F | 61 | Low | 64.1 | Low | 170 Ų | 170 | 137.6 Ų | 137.6 | 75% | 0.746 | 73% | 0.729 | S | S | * | * | G | 310 helix | trans | -109.2 | 22.1 | -176.4 | -69.4 | -78.1 | 0 | 0 | 0 | 114.2 | D375 T379 | D375-F377 VanDerWaalsContact C-N 3.33Å; D375-F377 PolarHBondContact O-N 3.2Å; F377-T379 VanDerWaalsContact C-N 3.26Å; F377-T379 PolarHBondContact O-N 2.79Å |
| 378 | V | 65.4 | Low | 64.1 | Low | 104 Ų | 104 | 135.2 Ų | 135.2 | 63% | 0.63 | 72% | 0.721 | S | S | * | * | trans | -74.1 | 79.8 | 172.7 | -172.9 | 0 | 0 | 0 | 0 | 110 | P380 | V378-P380 WeakPolarHBondContact O-CD 3.47Š| ||
| 379 | T | 67.6 | Low | 64.2 | Low | 116 Ų | 116 | 135.5 Ų | 135.5 | 71% | 0.712 | 72% | 0.719 | S | S | * | * | trans | -58.9 | 126.9 | 164.1 | 44 | 0 | 0 | 0 | 0 | 109.1 | F377 D381 | F377-T379 VanDerWaalsContact C-N 3.26Å; F377-T379 PolarHBondContact O-N 2.79Å; T379-D381 PolarHBondContact O-N 2.87Å | ||
| 380 | P | 65.3 | Low | 64.2 | Low | 123 Ų | 123 | 134.9 Ų | 134.9 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | trans | -61.2 | 111.2 | 176.5 | -22.9 | 33.8 | 0 | 0 | 0 | 110.6 | V378 E382 | V378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-E382 PolarHBondContact O-N 2.88Å | ||
| 381 | D | 62.1 | Low | 64.3 | Low | 121 Ų | 121 | 136.1 Ų | 136.1 | 65% | 0.647 | 72% | 0.722 | S | S | * | * | trans | -55.8 | 120.3 | 171.8 | -120 | 20.3 | 0 | 0 | 0 | 108.3 | T379 R383 K384 | T379-D381 PolarHBondContact O-N 2.87Å; D381-R383 PolarHBondContact O-N 2.88Å; D381-K384 IonicContact OD2-NZ 3.99Å; D381-K384 PolarHBondContact OD2-NZ 3.18Å | ||
| 382 | E | 65.2 | Low | 64.4 | Low | 180 Ų | 180 | 136.6 Ų | 136.6 | 84% | 0.841 | 73% | 0.731 | S | S | * | * | trans | -54 | 137.4 | 175 | -71.3 | -172.2 | 158.1 | 0 | 0 | 109.8 | P380 K384 | P380-E382 PolarHBondContact O-N 2.88Å; E382-K384 PolarHBondContact O-N 2.89Å | ||
| 383 | R | 61.1 | Low | 64.6 | Low | 247 Ų | 247 | 136 Ų | 136 | 93% | 0.932 | 73% | 0.73 | S | S | * | * | trans | -56.9 | 98.3 | -175.5 | -75.4 | -177.7 | 175.9 | 177.3 | -0.8 | 110.7 | D381 | D381-R383 PolarHBondContact O-N 2.88Š| ||
| 384 | K | 65.5 | Low | 65 | Low | 155 Ų | 155 | 136.2 Ų | 136.2 | 67% | 0.674 | 74% | 0.74 | S | S | * | * | trans | -52.6 | 127.3 | 171.7 | -73.3 | 165.2 | -179.1 | 138.4 | 0 | 108.2 | D381 E382 V386 | D381-K384 IonicContact OD2-NZ 3.99Å; D381-K384 PolarHBondContact OD2-NZ 3.18Å; E382-K384 PolarHBondContact O-N 2.89Å; K384-V386 PolarHBondContact O-N 3.2Å | ||
| 385 | P | 62.5 | Low | 65.4 | Low | 112 Ų | 112 | 138.9 Ų | 138.9 | 73% | 0.727 | 75% | 0.752 | S | S | * | * | trans | -60.3 | 138.2 | -172.3 | 22.1 | -32.8 | 0 | 0 | 0 | 111 | H387 | P385-H387 PolarHBondContact O-N 3.16Š| ||
| 386 | V | 61.2 | Low | 65.6 | Low | 147 Ų | 147 | 141.7 Ų | 141.7 | 89% | 0.891 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -63.1 | -14.8 | -171.1 | -175 | 0 | 0 | 0 | 0 | 113 | K384 I388 | K384-V386 PolarHBondContact O-N 3.2Å; V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 2.8Å |
| 387 | H | 60.5 | Low | 65.7 | Low | 152 Ų | 152 | 143.2 Ų | 143.2 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | trans | -79.2 | 78 | 177.5 | -162.5 | 73.4 | 0 | 0 | 0 | 112.2 | P385 Q389 | P385-H387 PolarHBondContact O-N 3.16Å; H387-Q389 PolarHBondContact O-N 3.32Å | ||
| 388 | I | 64 | Low | 65.8 | Low | 141 Ų | 141 | 141 Ų | 141 | 72% | 0.723 | 77% | 0.767 | S | S | * | * | trans | -66.5 | 110.7 | 164.5 | -58.6 | 170.6 | 0 | 0 | 0 | 107.4 | V386 T390 | V386-I388 VanDerWaalsContact C-N 3.33Å; V386-I388 PolarHBondContact O-N 2.8Å; I388-T390 PolarHBondContact O-N 3.07Å; I388-T390 VanDerWaalsContact O-N 3.14Å | ||
| 389 | Q | 62.1 | Low | 65.7 | Low | 154 Ų | 154 | 145.4 Ų | 145.4 | 72% | 0.72 | 78% | 0.778 | S | S | * | * | trans | -62.4 | 115.7 | 169.5 | -72.3 | -179.7 | -6.7 | 0 | 0 | 109 | H387 E391 | H387-Q389 PolarHBondContact O-N 3.32Å; Q389-E391 PolarHBondContact O-N 3.19Å | ||
| 390 | T | 63.6 | Low | 65.3 | Low | 141 Ų | 141 | 149.1 Ų | 149.1 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | trans | -75.9 | 2.5 | -175.4 | -11.6 | 0 | 0 | 0 | 0 | 113.8 | I388 | I388-T390 PolarHBondContact O-N 3.07Å; I388-T390 VanDerWaalsContact O-N 3.14Å | ||
| 391 | E | 66.9 | Low | 65.1 | Low | 168 Ų | 168 | 149 Ų | 149 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -79 | 124.3 | 178 | -64.1 | -162.1 | 163.5 | 0 | 0 | 110.7 | Q389 | Q389-E391 PolarHBondContact O-N 3.19Š|
| 392 | P | 72.3 | Confident | 65 | Low | 115 Ų | 115 | 152 Ų | 152 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -64 | 129.1 | 176.8 | 26.1 | -32.9 | 0 | 0 | 0 | 109.3 | A394 | P392-A394 PolarHBondContact O-N 3Š|
| 393 | P | 72.3 | Confident | 64.9 | Low | 123 Ų | 123 | 150.9 Ų | 150.9 | 80% | 0.799 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 132.8 | -178.5 | 23.3 | -33.7 | 0 | 0 | 0 | 109.9 | ||
| 394 | A | 74.3 | Confident | 64.9 | Low | 85 Ų | 85 | 147 Ų | 147 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 130.5 | -175.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | P392 K396 | P392-A394 PolarHBondContact O-N 3Å; A394-K396 PolarHBondContact O-N 3.49Å |
| 395 | P | 72 | Confident | 64.9 | Low | 120 Ų | 120 | 142.5 Ų | 142.5 | 78% | 0.779 | 76% | 0.76 | S | S | * | * | trans | -59.5 | 109.8 | -168.2 | 21.9 | -33.3 | 0 | 0 | 0 | 110.1 | V397 | P395-V397 PolarHBondContact O-N 3.43Š| ||
| 396 | K | 69.6 | Low | 65.1 | Low | 199 Ų | 199 | 144 Ų | 144 | 87% | 0.865 | 76% | 0.755 | S | S | * | * | trans | -49.1 | 117.2 | -179.6 | -75.1 | -175.6 | 178.8 | 177.7 | 0 | 108.5 | A394 V398 | A394-K396 PolarHBondContact O-N 3.49Å; K396-V398 VanDerWaalsContact C-N 3.35Å; K396-V398 PolarHBondContact O-N 3.45Å | ||
| 397 | V | 65 | Low | 65.5 | Low | 134 Ų | 134 | 144.5 Ų | 144.5 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | trans | -61.3 | 99.7 | -178.8 | -179.2 | 0 | 0 | 0 | 0 | 108 | P395 K399 | P395-V397 PolarHBondContact O-N 3.43Å; V397-K399 PolarHBondContact O-N 3.01Å | ||
| 398 | V | 64 | Low | 65.9 | Low | 125 Ų | 125 | 146.6 Ų | 146.6 | 76% | 0.758 | 75% | 0.747 | S | S | * | * | trans | -59.6 | 105.1 | 174.7 | 179.4 | 0 | 0 | 0 | 0 | 106.1 | K396 K400 | K396-V398 VanDerWaalsContact C-N 3.35Å; K396-V398 PolarHBondContact O-N 3.45Å; V398-K400 VanDerWaalsContact C-N 3.29Å; V398-K400 PolarHBondContact O-N 2.97Å | ||
| 399 | K | 62.9 | Low | 66.4 | Low | 196 Ų | 196 | 144.8 Ų | 144.8 | 85% | 0.852 | 74% | 0.736 | S | S | * | * | trans | -55.4 | 97 | 175.7 | -73.8 | -177.7 | 179.2 | 176.1 | 0 | 107.1 | V397 N401 | V397-K399 PolarHBondContact O-N 3.01Å; K399-N401 PolarHBondContact O-N 2.85Å | ||
| 400 | K | 59.9 | Low | 66.9 | Low | 193 Ų | 193 | 147 Ų | 147 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | trans | -55.4 | 111.3 | -177.4 | -78.2 | 176.6 | -178.9 | 165.8 | 0 | 106.7 | V398 K402 | V398-K400 VanDerWaalsContact C-N 3.29Å; V398-K400 PolarHBondContact O-N 2.97Å; K400-K402 PolarHBondContact O-N 3.06Å | ||
| 401 | N | 60.3 | Low | 67.4 | Low | 120 Ų | 120 | 146.4 Ų | 146.4 | 64% | 0.642 | 73% | 0.726 | S | S | * | * | trans | -53 | 107.1 | -167.9 | -150 | -17.8 | 0 | 0 | 0 | 109.2 | K399 H403 K404 | K399-N401 PolarHBondContact O-N 2.85Å; N401-H403 PolarHBondContact O-N 2.86Å; N401-K404 PolarHBondContact O-N 3.21Å | ||
| 402 | K | 60.6 | Low | 67.7 | Low | 184 Ų | 184 | 145 Ų | 145 | 80% | 0.8 | 72% | 0.72 | S | S | * | * | H | α-helix | trans | -54.8 | -32.5 | -161.3 | -72.8 | -174.6 | 176.6 | -177.3 | 0 | 112.2 | K400 K404 A405 F406 | K400-K402 PolarHBondContact O-N 3.06Å; K402-K404 VanDerWaalsContact C-N 3.28Å; K402-K404 PolarHBondContact O-N 2.83Å; K402-A405 PolarHBondContact O-N 3.26Å; K402-A405 VanDerWaalsContact O-N 3.08Å; K402-F406 PolarHBondContact O-N 2.98Å; K402-F406 VanDerWaalsContact O-N 3.16Å |
| 403 | H | 61.9 | Low | 67.6 | Low | 157 Ų | 157 | 149.4 Ų | 149.4 | 73% | 0.727 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -51.3 | -36 | 171.7 | -98.4 | -54.4 | 0 | 0 | 0 | 115.5 | N401 K407 | N401-H403 PolarHBondContact O-N 2.86Å; H403-K407 VanDerWaalsContact O-CB 3.3Å; H403-K407 WeakPolarHBondContact O-CB 3.35Å; H403-K407 PolarHBondContact O-N 3.49Å |
| 404 | K | 62.2 | Low | 67.3 | Low | 166 Ų | 166 | 146.8 Ų | 146.8 | 72% | 0.722 | 72% | 0.717 | S | S | * | * | H | α-helix | trans | -74.2 | -28.2 | 179.2 | -76.6 | -175.1 | 178.1 | 176.5 | 0 | 112.8 | N401 K402 R408 | N401-K404 PolarHBondContact O-N 3.21Å; K402-K404 VanDerWaalsContact C-N 3.28Å; K402-K404 PolarHBondContact O-N 2.83Å; K404-R408 PolarHBondContact O-N 2.92Å |
| 405 | A | 64.6 | Low | 66.7 | Low | 60 Ų | 60 | 153.3 Ų | 153.3 | 50% | 0.496 | 72% | 0.724 | S | S | . | * | H | α-helix | trans | -72.4 | -51.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | K402 K407 R408 E409 | K402-A405 PolarHBondContact O-N 3.26Å; K402-A405 VanDerWaalsContact O-N 3.08Å; A405-K407 VanDerWaalsContact C-N 3.27Å; A405-K407 PolarHBondContact O-N 3.14Å; A405-R408 WeakPolarHBondContact O-CA 3.43Å; A405-R408 WeakPolarHBondContact O-CB 3.09Å; A405-R408 PolarHBondContact O-N 3.39Å; A405-E409 PolarHBondContact O-N 3.45Å |
| 406 | F | 67.3 | Low | 65.7 | Low | 145 Ų | 145 | 161.9 Ų | 161.9 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | H | α-helix | trans | -58.2 | -37.5 | 178.8 | -153.5 | -94.7 | 0 | 0 | 0 | 112.6 | K402 R408 E409 R410 | K402-F406 PolarHBondContact O-N 2.98Å; K402-F406 VanDerWaalsContact O-N 3.16Å; F406-R408 VanDerWaalsContact C-N 3.32Å; F406-R408 PolarHBondContact O-N 2.69Å; F406-E409 PolarHBondContact O-N 3.14Å; F406-R410 WeakPolarHBondContact O-CB 3.23Å; F406-R410 PolarHBondContact O-N 3.24Å |
| 407 | K | 70.6 | Confident | 65.5 | Low | 157 Ų | 157 | 160 Ų | 160 | 68% | 0.683 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -66.7 | -28.4 | 174.4 | -168.2 | 169.4 | -175 | 171.9 | 0 | 113.2 | H403 A405 M411 | H403-K407 VanDerWaalsContact O-CB 3.3Å; H403-K407 WeakPolarHBondContact O-CB 3.35Å; H403-K407 PolarHBondContact O-N 3.49Å; A405-K407 VanDerWaalsContact C-N 3.27Å; A405-K407 PolarHBondContact O-N 3.14Å; K407-M411 WeakPolarHBondContact O-CB 3.38Å; K407-M411 WeakPolarHBondContact O-CG 3.24Å; K407-M411 PolarHBondContact O-N 3.25Å |
| 408 | R | 68.8 | Low | 65.5 | Low | 195 Ų | 195 | 161.4 Ų | 161.4 | 74% | 0.736 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -75.9 | -44 | 173.4 | -83.6 | -176.8 | 169.2 | -176.6 | -3.3 | 111.9 | K404 A405 F406 R410 M411 Q412 | K404-R408 PolarHBondContact O-N 2.92Å; A405-R408 WeakPolarHBondContact O-CA 3.43Å; A405-R408 WeakPolarHBondContact O-CB 3.09Å; A405-R408 PolarHBondContact O-N 3.39Å; F406-R408 VanDerWaalsContact C-N 3.32Å; F406-R408 PolarHBondContact O-N 2.69Å; R408-R410 PolarHBondContact O-N 3.07Å; R408-M411 CarbonylContact O-C 3.59Å; R408-M411 WeakPolarHBondContact O-CB 3.3Å; R408-M411 PolarHBondContact O-N 3.3Å; R408-Q412 PolarHBondContact O-N 2.86Å |
| 409 | E | 74.6 | Confident | 65.6 | Low | 104 Ų | 104 | 163.4 Ų | 163.4 | 49% | 0.486 | 73% | 0.729 | S | S | . | * | H | α-helix | trans | -60.2 | -45.3 | 175 | -81 | -177.5 | 108.2 | 0 | 0 | 112.1 | A405 F406 M411 Q412 R413 | A405-E409 PolarHBondContact O-N 3.45Å; F406-E409 PolarHBondContact O-N 3.14Å; E409-M411 VanDerWaalsContact C-N 3.26Å; E409-M411 PolarHBondContact O-N 3.43Å; E409-Q412 PolarHBondContact O-N 2.81Å; E409-R413 PolarHBondContact O-N 3.05Å |
| 410 | R | 72.6 | Confident | 65.8 | Low | 199 Ų | 199 | 161.5 Ų | 161.5 | 75% | 0.751 | 72% | 0.721 | S | S | * | * | H | α-helix | trans | -59.4 | -37.7 | 175.9 | -171.2 | 173.7 | 176.5 | 177.6 | -0.6 | 112.3 | F406 R408 Q412 G414 | F406-R410 WeakPolarHBondContact O-CB 3.23Å; F406-R410 PolarHBondContact O-N 3.24Å; R408-R410 PolarHBondContact O-N 3.07Å; R410-Q412 VanDerWaalsContact C-N 3.34Å; R410-G414 PolarHBondContact O-N 2.96Å; R410-G414 VanDerWaalsContact O-N 3.07Å |
| 411 | M | 72.6 | Confident | 66.1 | Low | 130 Ų | 130 | 159.5 Ų | 159.5 | 64% | 0.64 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -72.5 | -21.6 | 174.6 | -72.7 | -86.2 | -69.4 | 0 | 0 | 113.9 | K407 R408 E409 R415 | K407-M411 WeakPolarHBondContact O-CB 3.38Å; K407-M411 WeakPolarHBondContact O-CG 3.24Å; K407-M411 PolarHBondContact O-N 3.25Å; R408-M411 CarbonylContact O-C 3.59Å; R408-M411 WeakPolarHBondContact O-CB 3.3Å; R408-M411 PolarHBondContact O-N 3.3Å; E409-M411 VanDerWaalsContact C-N 3.26Å; E409-M411 PolarHBondContact O-N 3.43Å; M411-R415 WeakPolarHBondContact O-CB 3.34Å |
| 412 | Q | 73.8 | Confident | 66.5 | Low | 139 Ų | 139 | 162.1 Ų | 162.1 | 65% | 0.65 | 72% | 0.719 | S | S | * | * | H | α-helix | trans | -86 | -37.6 | 173.2 | -79.2 | 177.2 | -64 | 0 | 0 | 112.1 | R408 E409 R410 R415 | R408-Q412 PolarHBondContact O-N 2.86Å; E409-Q412 PolarHBondContact O-N 2.81Å; R410-Q412 VanDerWaalsContact C-N 3.34Å; Q412-R415 PolarHBondContact O-N 3.04Å |
| 413 | R | 70.5 | Confident | 67 | Low | 206 Ų | 206 | 160.6 Ų | 160.6 | 78% | 0.777 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -64.7 | -41.7 | 172.6 | -73.5 | -169.4 | -179.9 | -163.3 | 0.9 | 112 | E409 R415 R416 | E409-R413 PolarHBondContact O-N 3.05Å; R413-R415 PolarHBondContact O-N 2.79Å; R413-R416 PolarHBondContact O-N 3.08Å |
| 414 | G | 66.6 | Low | 67.4 | Low | 69 Ų | 69 | 160.8 Ų | 160.8 | 71% | 0.711 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | 18.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | R410 | R410-G414 PolarHBondContact O-N 2.96Å; R410-G414 VanDerWaalsContact O-N 3.07Å |
| 415 | R | 60.8 | Low | 67.8 | Low | 222 Ų | 222 | 160.4 Ų | 160.4 | 84% | 0.838 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.6 | 2.9 | 179.7 | -108.6 | -177.9 | 163.8 | -167.5 | -6.9 | 113.3 | M411 Q412 R413 | M411-R415 WeakPolarHBondContact O-CB 3.34Å; Q412-R415 PolarHBondContact O-N 3.04Å; R413-R415 PolarHBondContact O-N 2.79Å |
| 416 | R | 50.8 | Low | 68.1 | Low | 299 Ų | 299 | 169.5 Ų | 169.5 | 100% | 1.128 | 73% | 0.731 | S | S | * | * | trans | -97.5 | 0 | 164.2 | -81.5 | -172.8 | 168.1 | -172.3 | -4.2 | 108.7 | R413 | R413-R416 PolarHBondContact O-N 3.08Š|
Retrieved 416 of 416 residues in 697.4 ms
(Link to these results)