| 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 | 41.9 | Very low | 46 | Very low | 253 Ų | 253 | 152.3 Ų | 152.3 | 100% | 1.246 | 81% | 0.813 | S | S | * | * | 0 | 115.1 | 0 | -80.8 | -174.8 | 161.2 | 0 | 0 | 106.7 | |||||
| 2 | D | 46.5 | Very low | 46 | Very low | 146 Ų | 146 | 159.8 Ų | 159.8 | 78% | 0.781 | 82% | 0.822 | S | S | * | * | trans | -83.3 | 162.6 | -164.2 | -150.8 | -2.9 | 0 | 0 | 0 | 111.6 | ||||
| 3 | P | 54.1 | Low | 45.7 | Very low | 102 Ų | 102 | 166.8 Ų | 166.8 | 66% | 0.662 | 83% | 0.831 | S | S | * | * | -153.5 | 149 | 86.9 | 33 | -11 | 0 | 0 | 0 | 118.5 | |||||
| 4 | R | 45.1 | Very low | 45.7 | Very low | 219 Ų | 219 | 162.2 Ų | 162.2 | 83% | 0.826 | 82% | 0.823 | S | S | * | * | trans | 58.3 | 125.5 | 132.9 | -56.9 | 172 | -176 | -173.7 | 0.6 | 120.5 | ||||
| 5 | Q | 50.2 | Low | 45.6 | Very low | 172 Ų | 172 | 163.2 Ų | 163.2 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | 167 | 139.4 | 97.8 | -87.9 | -169.4 | 5 | 0 | 0 | 114.6 | |||||
| 6 | C | 45.1 | Very low | 45.8 | Very low | 121 Ų | 121 | 159 Ų | 159 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | trans | 73.1 | 116.9 | 147.2 | -74.3 | 0 | 0 | 0 | 0 | 123 | ||||
| 7 | V | 41.2 | Very low | 45.7 | Very low | 153 Ų | 153 | 160.1 Ų | 160.1 | 93% | 0.927 | 82% | 0.822 | S | S | * | * | trans | -130.7 | 133.6 | 163.9 | 175.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 8 | G | 45.4 | Very low | 46.5 | Very low | 67 Ų | 67 | 158.4 Ų | 158.4 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | trans | -139.8 | 120.1 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 9 | H | 46.1 | Very low | 46.2 | Very low | 175 Ų | 175 | 154.8 Ų | 154.8 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | 60.2 | 126.1 | 100.9 | -116.3 | -81.1 | 0 | 0 | 0 | 112.4 | |||||
| 10 | T | 46 | Very low | 46.5 | Very low | 91 Ų | 91 | 154.3 Ų | 154.3 | 56% | 0.558 | 82% | 0.819 | S | S | * | * | cis | -171.4 | 158.8 | 29.3 | -30.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 11 | E | 44.3 | Very low | 46.2 | Very low | 176 Ų | 176 | 153.8 Ų | 153.8 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | 58.8 | 114.2 | 147.6 | -85.3 | 154.6 | 179.4 | 0 | 0 | 122.2 | ||||
| 12 | R | 46.3 | Very low | 46.3 | Very low | 242 Ų | 242 | 148.1 Ų | 148.1 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | 63.1 | 86.2 | 71 | -90.6 | -164.7 | 177 | -169.3 | 1.4 | 117.2 | |||||
| 13 | R | 42.2 | Very low | 45.9 | Very low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 80% | 0.795 | S | S | * | * | 33.5 | 119.1 | 125.7 | -149.5 | 175.2 | -166.1 | 167.6 | 2.8 | 119.7 | |||||
| 14 | S | 46.2 | Very low | 45.4 | Very low | 103 Ų | 103 | 147.5 Ų | 147.5 | 72% | 0.72 | 80% | 0.801 | S | S | * | * | trans | -149.6 | 115.2 | 157.8 | -171.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 15 | Q | 42.9 | Very low | 45.2 | Very low | 177 Ų | 177 | 148 Ų | 148 | 83% | 0.827 | 80% | 0.803 | S | S | * | * | 62.4 | 136.2 | 109.1 | -48.9 | -158.5 | 7.9 | 0 | 0 | 114.1 | |||||
| 16 | S | 49.5 | Very low | 44.6 | Very low | 96 Ų | 96 | 149.2 Ų | 149.2 | 67% | 0.671 | 81% | 0.806 | S | S | * | * | cis | -169.9 | 142.8 | 22.3 | -20.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 17 | D | 44.8 | Very low | 44.2 | Very low | 177 Ų | 177 | 148.4 Ų | 148.4 | 95% | 0.947 | 81% | 0.808 | S | S | * | * | trans | -115.9 | 115.2 | 164.1 | -90.9 | -32.7 | 0 | 0 | 0 | 108.9 | ||||
| 18 | T | 59.2 | Low | 44 | Very low | 130 Ų | 130 | 147 Ų | 147 | 80% | 0.798 | 80% | 0.804 | S | S | * | * | trans | -107.6 | 126 | 175.4 | -51.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 19 | A | 40.3 | Very low | 43.8 | Very low | 91 Ų | 91 | 150.5 Ų | 150.5 | 75% | 0.752 | 81% | 0.813 | S | S | * | * | trans | -72.9 | 146.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 20 | V | 53.2 | Low | 43.6 | Very low | 143 Ų | 143 | 147 Ų | 147 | 87% | 0.867 | 81% | 0.806 | S | S | * | * | trans | -145.3 | 126.7 | 153.8 | -111.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 21 | N | 39.9 | Very low | 43.2 | Very low | 145 Ų | 145 | 149 Ų | 149 | 78% | 0.775 | 81% | 0.813 | S | S | * | * | trans | -96.7 | 128.2 | 179.2 | -176.2 | 1.5 | 0 | 0 | 0 | 107.8 | ||||
| 22 | V | 44.4 | Very low | 43 | Very low | 134 Ų | 134 | 146.8 Ų | 146.8 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -138.7 | 114.2 | 164.8 | -178.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 23 | T | 38.2 | Very low | 42.7 | Very low | 121 Ų | 121 | 143.8 Ų | 143.8 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | trans | -71.9 | 138 | 168.6 | 41.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 24 | S | 43.5 | Very low | 42.4 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -162.3 | 101.2 | 142.8 | 55.8 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 25 | R | 40.8 | Very low | 41.7 | Very low | 229 Ų | 229 | 139.7 Ų | 139.7 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | 56.2 | 109.3 | 93.1 | -82.7 | -169.3 | -173.8 | 179.5 | 4.9 | 116.5 | |||||
| 26 | K | 36.8 | Very low | 41.3 | Very low | 197 Ų | 197 | 141.5 Ų | 141.5 | 86% | 0.857 | 80% | 0.802 | S | S | * | * | trans | 67.2 | 118.5 | 135.3 | -72.2 | -176.1 | 174.2 | -174.5 | 0 | 119.6 | ||||
| 27 | A | 37.6 | Very low | 40.7 | Very low | 105 Ų | 105 | 145.8 Ų | 145.8 | 87% | 0.868 | 81% | 0.811 | S | S | * | * | -160.6 | 120.5 | 110.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 28 | S | 36.1 | Very low | 40.4 | Very low | 122 Ų | 122 | 146.4 Ų | 146.4 | 85% | 0.853 | 81% | 0.808 | S | S | * | * | trans | -94.5 | 144.3 | 166.6 | -67.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 29 | T | 42.6 | Very low | 39.3 | Very low | 141 Ų | 141 | 148.9 Ų | 148.9 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -148.2 | 149.1 | 149.4 | 26.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 30 | P | 40.4 | Very low | 39.3 | Very low | 103 Ų | 103 | 151.4 Ų | 151.4 | 67% | 0.669 | 81% | 0.812 | S | S | * | * | trans | -114.6 | -161.2 | -151.6 | 35.7 | -17.2 | 0 | 0 | 0 | 112.5 | ||||
| 31 | D | 37.1 | Very low | 38.6 | Very low | 133 Ų | 133 | 149.4 Ų | 149.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 88.1 | 145.5 | 159.1 | -62.7 | -19.5 | 0 | 0 | 0 | 118.2 | ||||
| 32 | I | 40.6 | Very low | 38.6 | Very low | 128 Ų | 128 | 150.7 Ų | 150.7 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | cis | -171.1 | 130.9 | -9 | -101.3 | 158.1 | 0 | 0 | 0 | 101.2 | ||||
| 33 | L | 39.5 | Very low | 38.2 | Very low | 179 Ų | 179 | 151.8 Ų | 151.8 | 94% | 0.937 | 80% | 0.796 | S | S | * | * | trans | -160.9 | 106.4 | 144.9 | -87.6 | -166.7 | 0 | 0 | 0 | 109.7 | ||||
| 34 | K | 37.8 | Very low | 38.7 | Very low | 196 Ų | 196 | 150.9 Ų | 150.9 | 85% | 0.852 | 79% | 0.792 | S | S | * | * | trans | -70.2 | 134.1 | 168.8 | -93.8 | 173.8 | 171.8 | 176.1 | 0 | 110.4 | ||||
| 35 | A | 30.8 | Very low | 38.6 | Very low | 73 Ų | 73 | 150.9 Ų | 150.9 | 60% | 0.603 | 79% | 0.79 | S | S | * | * | 81.7 | 117 | 107.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | |||||
| 36 | F | 34.7 | Very low | 38.6 | Very low | 215 Ų | 215 | 147.8 Ų | 147.8 | 94% | 0.943 | 79% | 0.79 | S | S | * | * | trans | -140.2 | 104.3 | 136.3 | -94.4 | -78.1 | 0 | 0 | 0 | 108.1 | ||||
| 37 | H | 37.5 | Very low | 38.9 | Very low | 185 Ų | 185 | 143.4 Ų | 143.4 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | trans | -77.9 | 136.1 | 155.4 | -88 | -93.9 | 0 | 0 | 0 | 107.4 | ||||
| 38 | Q | 38 | Very low | 39 | Very low | 191 Ų | 191 | 143.7 Ų | 143.7 | 89% | 0.893 | 77% | 0.772 | S | S | * | * | trans | -126.2 | 138.6 | 150.3 | -167.6 | 164.9 | 38.4 | 0 | 0 | 108.2 | ||||
| 39 | E | 36.2 | Very low | 39.2 | Very low | 182 Ų | 182 | 145.5 Ų | 145.5 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -73.6 | 142.1 | -160 | -60.4 | 174 | 112.6 | 0 | 0 | 113.5 | ||||
| 40 | D | 39.3 | Very low | 39 | Very low | 144 Ų | 144 | 147.2 Ų | 147.2 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | -48.9 | 161.4 | 146.9 | -117.6 | -34.8 | 0 | 0 | 0 | 110.2 | ||||
| 41 | P | 39.8 | Very low | 38.9 | Very low | 100 Ų | 100 | 150.3 Ų | 150.3 | 65% | 0.649 | 77% | 0.773 | S | S | * | * | -161.2 | 159.3 | 67.5 | 39.1 | -16.5 | 0 | 0 | 0 | 119.4 | |||||
| 42 | K | 38.7 | Very low | 39 | Very low | 173 Ų | 173 | 149.9 Ų | 149.9 | 75% | 0.752 | 77% | 0.771 | S | S | * | * | trans | 68.5 | 142.5 | 135.8 | -75 | 171.2 | 177.8 | 173.1 | 0 | 116.6 | ||||
| 43 | H | 37.3 | Very low | 38.8 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | cis | 179.2 | -177.2 | 12 | -123 | -51.1 | 0 | 0 | 0 | 104.7 | ||||
| 44 | P | 47.4 | Very low | 38.8 | Very low | 102 Ų | 102 | 147 Ų | 147 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | -119 | -178.9 | -70 | 19.9 | 4.9 | 0 | 0 | 0 | 112 | |||||
| 45 | P | 42.4 | Very low | 38.9 | Very low | 115 Ų | 115 | 143.4 Ų | 143.4 | 75% | 0.747 | 77% | 0.765 | S | S | * | * | trans | -91.6 | 167 | 177.2 | 37.6 | -32.8 | 0 | 0 | 0 | 112.6 | ||||
| 46 | D | 40.2 | Very low | 39.3 | Very low | 164 Ų | 164 | 145.7 Ų | 145.7 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | trans | -158.5 | 156.8 | 151.1 | -100.4 | -21.3 | 0 | 0 | 0 | 112.2 | ||||
| 47 | P | 42.5 | Very low | 39.4 | Very low | 105 Ų | 105 | 140.8 Ų | 140.8 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | trans | -125.7 | -166.8 | -148 | 25.1 | 1 | 0 | 0 | 0 | 112.7 | ||||
| 48 | V | 40.7 | Very low | 39.6 | Very low | 110 Ų | 110 | 137.6 Ų | 137.6 | 67% | 0.667 | 77% | 0.765 | S | S | * | * | trans | 87.5 | 110.1 | 154 | -169.6 | 0 | 0 | 0 | 0 | 117.9 | K50 | V48-K50 HydrophobicContact CG1-CD 4.42Å; V48-K50 HydrophobicContact CG1-CG 4.3Å | ||
| 49 | L | 40.1 | Very low | 39.6 | Very low | 161 Ų | 161 | 133.9 Ų | 133.9 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | -165.6 | 92 | 123.8 | -161.2 | 65 | 0 | 0 | 0 | 107 | |||||
| 50 | K | 37.2 | Very low | 39.9 | Very low | 176 Ų | 176 | 133.2 Ų | 133.2 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | 35.6 | 100.4 | 86.2 | -75.7 | -167.7 | 178.8 | -176.3 | 0 | 113.9 | V48 | V48-K50 HydrophobicContact CG1-CD 4.42Å; V48-K50 HydrophobicContact CG1-CG 4.3Å | |||
| 51 | Q | 39.1 | Very low | 39.9 | Very low | 169 Ų | 169 | 131.2 Ų | 131.2 | 79% | 0.79 | 75% | 0.749 | S | S | * | * | -163.2 | 118.9 | 124.3 | -147 | 152.6 | -2.7 | 0 | 0 | 113.3 | |||||
| 52 | D | 38.5 | Very low | 40 | Very low | 124 Ų | 124 | 130.5 Ų | 130.5 | 66% | 0.663 | 75% | 0.751 | S | S | * | * | trans | 58.9 | 107.7 | 143.8 | -57.7 | -20.7 | 0 | 0 | 0 | 121.5 | ||||
| 53 | T | 36.8 | Very low | 40 | Very low | 133 Ų | 133 | 128.3 Ų | 128.3 | 82% | 0.816 | 75% | 0.753 | S | S | * | * | 88.6 | 135.8 | 64.1 | -59.5 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 54 | P | 38.9 | Very low | 40.2 | Very low | 114 Ų | 114 | 130.8 Ų | 130.8 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | trans | -116.9 | -131.9 | -144.7 | 29.5 | -6 | 0 | 0 | 0 | 113.2 | ||||
| 55 | P | 40.9 | Very low | 39.7 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | -108.7 | 164.5 | -93.9 | 33.2 | -16.7 | 0 | 0 | 0 | 113.2 | |||||
| 56 | S | 38.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 85% | 0.846 | 77% | 0.773 | S | S | * | * | trans | -123.9 | 116.7 | 167.2 | 63.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 57 | S | 38.5 | Very low | 39.3 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 77% | 0.769 | S | S | * | * | trans | -64.6 | 170.6 | 174.3 | 36.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 58 | P | 41.3 | Very low | 39.1 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | trans | -101.3 | 158.6 | -160.6 | 38.7 | -30.7 | 0 | 0 | 0 | 113.2 | ||||
| 59 | T | 37.8 | Very low | 39.3 | Very low | 114 Ų | 114 | 134.7 Ų | 134.7 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -161.7 | 144 | 168.7 | -7.2 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 60 | H | 42.6 | Very low | 39.3 | Very low | 168 Ų | 168 | 136.2 Ų | 136.2 | 78% | 0.778 | 79% | 0.792 | S | S | * | * | trans | 81.8 | 140.7 | 159.1 | -56.7 | -64.4 | 0 | 0 | 0 | 118.3 | ||||
| 61 | S | 38.2 | Very low | 39.1 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | cis | 162.8 | 131.1 | -22.7 | 47.3 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 62 | A | 42.1 | Very low | 39.2 | Very low | 84 Ų | 84 | 128.5 Ų | 128.5 | 69% | 0.694 | 79% | 0.789 | S | S | * | * | trans | 154 | 94.2 | 158.6 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 63 | V | 39.5 | Very low | 39.1 | Very low | 128 Ų | 128 | 130.5 Ų | 130.5 | 78% | 0.776 | 80% | 0.799 | S | S | * | * | 45.5 | 90.7 | 78.6 | -160.1 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 64 | F | 40.2 | Very low | 39.4 | Very low | 207 Ų | 207 | 131.2 Ų | 131.2 | 91% | 0.908 | 80% | 0.796 | S | S | * | * | trans | -135.3 | 112.1 | 149.3 | -97.1 | -81.2 | 0 | 0 | 0 | 108.9 | ||||
| 65 | S | 38.3 | Very low | 39 | Very low | 110 Ų | 110 | 131.2 Ų | 131.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -84.4 | 152 | 173.6 | -62.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 66 | G | 36.1 | Very low | 39.3 | Very low | 86 Ų | 86 | 132.2 Ų | 132.2 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 97.9 | 91.4 | 147 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 67 | G | 38.4 | Very low | 39 | Very low | 76 Ų | 76 | 134.7 Ų | 134.7 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -172.7 | 90.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | R69 | G67-R69 PolarHBondContact O-N 2.95Š| ||
| 68 | L | 38.2 | Very low | 38.9 | Very low | 169 Ų | 169 | 133.4 Ų | 133.4 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -51.5 | 131.1 | 171 | -68.1 | 109.9 | 0 | 0 | 0 | 110.8 | ||||
| 69 | R | 43.7 | Very low | 38.4 | Very low | 238 Ų | 238 | 133.8 Ų | 133.8 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | 166.3 | 129.6 | 121.7 | -87.7 | 163.3 | -169.6 | -156.8 | 4 | 112.6 | G67 | G67-R69 PolarHBondContact O-N 2.95Š| |||
| 70 | H | 41.6 | Very low | 38.3 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 89% | 0.894 | 79% | 0.791 | S | S | * | * | trans | 71.9 | 113.4 | 148.4 | -127.6 | -77.2 | 0 | 0 | 0 | 118.9 | ||||
| 71 | G | 33.2 | Very low | 38.2 | Very low | 70 Ų | 70 | 130.6 Ų | 130.6 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | trans | -67.9 | 148.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 72 | S | 39.7 | Very low | 38.5 | Very low | 112 Ų | 112 | 131.7 Ų | 131.7 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -154.6 | 114.6 | 140.2 | -166 | 0 | 0 | 0 | 0 | 109.2 | I74 | S72-I74 PolarHBondContact O-N 3.19Š| ||
| 73 | L | 37.8 | Very low | 38.5 | Very low | 167 Ų | 167 | 135.3 Ų | 135.3 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -76.1 | 105.7 | 172.5 | -67.2 | 163.6 | 0 | 0 | 0 | 108.5 | ||||
| 74 | I | 42.5 | Very low | 38.5 | Very low | 147 Ų | 147 | 130.8 Ų | 130.8 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | trans | -149.7 | 66.4 | 155.9 | 46.9 | 166.6 | 0 | 0 | 0 | 110.9 | S72 | S72-I74 PolarHBondContact O-N 3.19Š| ||
| 75 | S | 31.4 | Very low | 38.8 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -95.6 | 98.7 | 153.5 | 51.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 76 | I | 45.8 | Very low | 39.8 | Very low | 142 Ų | 142 | 127.3 Ų | 127.3 | 73% | 0.728 | 74% | 0.743 | S | S | * | * | trans | -141.4 | 89.6 | 164.4 | 15.9 | 173.4 | 0 | 0 | 0 | 109.5 | S78 | I76-S78 PolarHBondContact O-N 3.15Š| ||
| 77 | N | 32.3 | Very low | 41.2 | Very low | 172 Ų | 172 | 126.6 Ų | 126.6 | 92% | 0.92 | 72% | 0.719 | S | S | * | * | trans | -61.6 | 110.5 | 145.3 | -95.3 | -5.6 | 0 | 0 | 0 | 107.4 | ||||
| 78 | S | 36.6 | Very low | 42.9 | Very low | 86 Ų | 86 | 127.7 Ų | 127.7 | 60% | 0.601 | 71% | 0.707 | S | S | * | * | trans | -173.9 | 117.7 | 152.1 | 50.2 | 0 | 0 | 0 | 0 | 110.3 | I76 | I76-S78 PolarHBondContact O-N 3.15Š| ||
| 79 | T | 31 | Very low | 44.7 | Very low | 124 Ų | 124 | 120.6 Ų | 120.6 | 76% | 0.761 | 67% | 0.673 | S | S | * | * | 40 | 123.4 | 129.5 | -28.2 | 0 | 0 | 0 | 0 | 117.4 | |||||
| 80 | C | 34.5 | Very low | 46.8 | Very low | 103 Ų | 103 | 116.5 Ų | 116.5 | 70% | 0.696 | 67% | 0.669 | S | S | * | * | trans | 97.8 | 107.6 | 172 | -51.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 81 | T | 41.6 | Very low | 49.2 | Very low | 112 Ų | 112 | 109 Ų | 109 | 69% | 0.687 | 64% | 0.636 | S | S | * | * | 156 | 114.5 | 129.5 | 45.2 | 0 | 0 | 0 | 0 | 110.6 | M83 | T81-M83 PolarHBondContact O-N 2.92Š| |||
| 82 | E | 43.4 | Very low | 52.2 | Low | 126 Ų | 126 | 108.8 Ų | 108.8 | 59% | 0.589 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -75.4 | 34.8 | 157.7 | -157.1 | 179.9 | 158.2 | 0 | 0 | 110.6 | R140 | E82-R140 WeakPolarHBondContact OE1-CD 3.05Š|
| 83 | M | 42.2 | Very low | 54.9 | Low | 160 Ų | 160 | 104.3 Ų | 104.3 | 79% | 0.788 | 59% | 0.593 | S | S | * | * | trans | -134.7 | 43.9 | 176.8 | -158.2 | 73.5 | 75.4 | 0 | 0 | 108.2 | T81 | T81-M83 PolarHBondContact O-N 2.92Š| ||
| 84 | G | 40.5 | Very low | 57.8 | Low | 32 Ų | 32 | 99.3 Ų | 99.3 | 33% | 0.33 | 57% | 0.565 | S | S | . | * | trans | -72.1 | 129.6 | 165.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | F86 | G84-F86 WeakPolarHBondContact O-CD2 3.49Å; G84-F86 WeakPolarHBondContact O-CE2 3.45Å; G84-F86 PolarHBondContact O-N 3.27Å | ||
| 85 | N | 46.1 | Very low | 60.5 | Low | 168 Ų | 168 | 92.3 Ų | 92.3 | 90% | 0.898 | 53% | 0.529 | S | S | * | . | trans | -65.8 | 79.1 | 171.6 | -148.3 | 28.2 | 0 | 0 | 0 | 107.9 | ||||
| 86 | F | 60 | Low | 63.7 | Low | 77 Ų | 77 | 89 Ų | 89 | 34% | 0.338 | 50% | 0.501 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 125.9 | 176 | -57.9 | -65.1 | 0 | 0 | 0 | 107.2 | G84 N88 W182 R190 | G84-F86 WeakPolarHBondContact O-CD2 3.49Å; G84-F86 WeakPolarHBondContact O-CE2 3.45Å; G84-F86 PolarHBondContact O-N 3.27Å; F86-N88 PolarHBondContact O-N 3.2Å; F86-W182 HydrophobicContact CB-CZ3 4.25Å; F86-W182 HydrophobicContact CD1-CZ3 4.06Å; F86-W182 HydrophobicContact CD2-CH2 4.15Å; F86-W182 HydrophobicContact CD2-CZ3 4.05Å; F86-W182 HydrophobicContact CE1-CZ3 4.47Å; F86-W182 HydrophobicContact CE2-CH2 4.39Å; F86-W182 HydrophobicContact CE2-CZ3 4.46Å; F86-W182 HydrophobicContact CG-CH2 4.41Å; F86-W182 AromaticContact CG-CZ3 3.84Å; F86-W182 HydrophobicContact CG-CZ3 3.84Å; F86-R190 HydrophobicContact CD1-CB 3.92Å; F86-R190 WeakPolarHBondContact CD1-O 3.34Å; F86-R190 HydrophobicContact CE1-CB 4.03Å |
| 87 | D | 65.4 | Low | 66.1 | Low | 70 Ų | 70 | 82.2 Ų | 82.2 | 37% | 0.374 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.6 | 137.3 | 170.3 | -51.4 | -104.8 | 0 | 0 | 0 | 109 | R189 V191 F192 | D87-R189 VanDerWaalsContact CG-CZ 3.5Å; D87-R189 IonicContact OD1-CZ 3.84Å; D87-R189 IonicContact OD1-NH2 2.74Å; D87-R189 PolarHBondContact OD1-NH2 2.79Å; D87-R189 IonicContact OD2-CZ 2.66Å; D87-R189 IonicContact OD2-NE 2.98Å; D87-R189 PolarHBondContact OD2-NE 3.15Å; D87-R189 IonicContact OD2-NH2 2.9Å; D87-R189 PolarHBondContact OD2-NH2 2.92Å; D87-V191 HydrophobicContact CB-CG1 4.45Å; D87-V191 HydrophobicContact CB-CG2 4.25Å; D87-V191 WeakPolarHBondContact O-CA 3.45Å; D87-V191 WeakPolarHBondContact O-CG1 3.21Å; D87-F192 PolarHBondContact O-N 3.21Å |
| 88 | N | 72.6 | Confident | 69.1 | Low | 100 Ų | 100 | 74.2 Ų | 74.2 | 54% | 0.535 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 125.9 | 174.2 | -67.9 | -23.8 | 0 | 0 | 0 | 107.8 | F86 | F86-N88 PolarHBondContact O-N 3.2Å |
| 89 | A | 77.6 | Confident | 71.9 | Confident | 20 Ų | 20 | 70.1 Ų | 70.1 | 17% | 0.165 | 40% | 0.395 | C | S | . | . | P | Polyproline II helix | trans | -76.5 | 161.9 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | V91 A119 V191 F192 L193 | A89-V91 PolarHBondContact O-N 3.38Å; A89-A119 HydrophobicContact CB-CB 4.06Å; A89-V191 HydrophobicContact CB-CG1 4.04Å; A89-F192 PolarHBondContact N-O 2.89Å; A89-F192 VanDerWaalsContact N-O 3.15Å; A89-L193 HydrophobicContact CB-CD2 3.79Å |
| 90 | N | 87 | Confident | 74.8 | Confident | 151 Ų | 151 | 66.7 Ų | 66.7 | 81% | 0.807 | 37% | 0.371 | S | S | * | . | trans | -64.1 | 100.7 | 165.6 | -71 | -15.2 | 0 | 0 | 0 | 107.8 | T92 A119 | N90-T92 PolarHBondContact O-N 2.8Å; N90-A119 WeakPolarHBondContact O-CB 3.24Å | ||
| 91 | V | 92.8 | Very high | 77.5 | Confident | 35 Ų | 35 | 63 Ų | 63 | 21% | 0.212 | 34% | 0.342 | C | S | . | . | trans | -62.3 | 124.5 | -171.3 | 172.4 | 0 | 0 | 0 | 0 | 110.9 | A89 F192 L193 L218 A220 | A89-V91 PolarHBondContact O-N 3.38Å; V91-F192 HydrophobicContact CG2-CD1 4.36Å; V91-F192 HydrophobicContact CG2-CE1 4.22Å; V91-L193 WeakPolarHBondContact CG1-O 3.37Å; V91-L218 HydrophobicContact CG1-CB 3.89Å; V91-A220 HydrophobicContact CB-CB 4.43Å; V91-A220 HydrophobicContact CG2-CB 4.15Å | ||
| 92 | T | 95.3 | Very high | 79.8 | Confident | 67 Ų | 67 | 59.6 Ų | 59.6 | 41% | 0.411 | 32% | 0.323 | S | S | . | . | trans | -138.6 | 164.7 | 174.2 | 66 | 0 | 0 | 0 | 0 | 110.3 | N90 N117 A119 | N90-T92 PolarHBondContact O-N 2.8Å; T92-N117 CarbonylContact C-O 3.56Å; T92-N117 WeakPolarHBondContact CB-O 3.33Å; T92-N117 PolarHBondContact OG1-O 2.98Å; T92-A119 PolarHBondContact OG1-N 2.9Å | ||
| 93 | G | 97.1 | Very high | 81.9 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 19% | 0.186 | 33% | 0.325 | C | S | . | . | trans | 92 | -176.9 | 170.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | K116 N117 L218 | G93-K116 CarbonylContact C-O 3.49Å; G93-K116 WeakPolarHBondContact CA-O 3.45Å; G93-N117 WeakPolarHBondContact CA-O 3.49Å; G93-N117 PolarHBondContact N-O 2.87Å; G93-L218 WeakPolarHBondContact O-CB 3.32Å; G93-L218 PolarHBondContact O-N 2.86Å | ||
| 94 | E | 98.3 | Very high | 84.2 | Confident | 61 Ų | 61 | 61 Ų | 61 | 29% | 0.285 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.4 | 154.1 | -174.2 | -50 | -171.5 | 89.4 | 0 | 0 | 109.4 | C115 K116 W215 Y216 | E94-C115 CarbonylContact O-C 3.58Å; E94-C115 VanDerWaalsContact O-CA 3.23Å; E94-C115 WeakPolarHBondContact O-CA 3.32Å; E94-C115 WeakPolarHBondContact O-CB 3.42Å; E94-K116 HydrophobicContact CB-CG 4.4Å; E94-K116 PolarHBondContact N-O 2.81Å; E94-K116 PolarHBondContact O-N 3.29Å; E94-K116 WeakPolarHBondContact OE2-CE 3.34Å; E94-K116 IonicContact OE2-NZ 2.84Å; E94-K116 PolarHBondContact OE2-NZ 2.69Å; E94-W215 HydrophobicContact CB-CE3 3.71Å; E94-W215 HydrophobicContact CB-CZ3 4.22Å; E94-Y216 CarbonylContact C-O 3.35Å; E94-Y216 VanDerWaalsContact CA-O 3.27Å; E94-Y216 WeakPolarHBondContact CA-O 3.5Å; E94-Y216 WeakPolarHBondContact CB-O 3.35Å |
| 95 | I | 98.6 | Very high | 86.5 | Confident | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 137.3 | 175.2 | -176.7 | 170.8 | 0 | 0 | 0 | 109.8 | F97 I112 V132 V179 V181 V196 W215 Y216 L218 | I95-F97 HydrophobicContact CD1-CD1 4.38Å; I95-F97 HydrophobicContact CG1-CD1 4.11Å; I95-F97 HydrophobicContact CG2-CD1 4.07Å; I95-F97 HydrophobicContact CG2-CE1 3.99Å; I95-I112 HydrophobicContact CD1-CG2 4.37Å; I95-V132 HydrophobicContact CD1-CG1 4.11Å; I95-V132 HydrophobicContact CD1-CG2 3.83Å; I95-V179 HydrophobicContact CD1-CG1 3.8Å; I95-V181 HydrophobicContact CD1-CG2 4.04Å; I95-V196 HydrophobicContact CG2-CG2 3.78Å; I95-W215 CarbonylContact O-C 3.57Å; I95-W215 WeakPolarHBondContact O-CA 3.47Å; I95-Y216 PolarHBondContact N-O 2.64Å; I95-Y216 PolarHBondContact O-N 3.23Å; I95-L218 HydrophobicContact CB-CD2 4.22Å; I95-L218 HydrophobicContact CG2-CD2 3.77Å; I95-L218 HydrophobicContact CG2-CG 4.47Å |
| 96 | E | 98.2 | Very high | 88.6 | Confident | 45 Ų | 45 | 56.4 Ų | 56.4 | 21% | 0.21 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 125.6 | 172.9 | -168.5 | -177.7 | -128.9 | 0 | 0 | 110.5 | K113 T114 A213 R214 W215 | E96-K113 HydrophobicContact CB-CB 4.16Å; E96-K113 HydrophobicContact CG-CB 4.17Å; E96-K113 HydrophobicContact CG-CG 4.43Å; E96-K113 WeakPolarHBondContact O-CB 3.3Å; E96-K113 PolarHBondContact O-N 3.14Å; E96-K113 WeakPolarHBondContact OE2-CB 3.31Å; E96-T114 HydrophobicContact CB-CG2 4.06Å; E96-T114 PolarHBondContact N-O 2.76Å; E96-A213 HydrophobicContact CG-CB 3.92Å; E96-R214 WeakPolarHBondContact CA-O 3.2Å; E96-W215 HydrophobicContact CB-CD2 3.71Å; E96-W215 HydrophobicContact CB-CE3 3.79Å; E96-W215 HydrophobicContact CB-CG 4.35Å; E96-W215 HydrophobicContact CB-CH2 3.92Å; E96-W215 HydrophobicContact CB-CZ2 3.79Å; E96-W215 HydrophobicContact CB-CZ3 3.89Å; E96-W215 HydrophobicContact CG-CD2 4.21Å; E96-W215 HydrophobicContact CG-CG 4.43Å; E96-W215 HydrophobicContact CG-CZ2 4.35Å; E96-W215 PolarHBondContact OE1-NE1 3.36Å |
| 97 | F | 97.7 | Very high | 90.1 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.3 | 160.8 | 173 | 64.5 | -85 | 0 | 0 | 0 | 112.3 | I95 I99 I110 C111 I112 L177 V179 V196 L198 A213 R214 Y216 | I95-F97 HydrophobicContact CD1-CD1 4.38Å; I95-F97 HydrophobicContact CG1-CD1 4.11Å; I95-F97 HydrophobicContact CG2-CD1 4.07Å; I95-F97 HydrophobicContact CG2-CE1 3.99Å; F97-I99 HydrophobicContact CD2-CG1 4Å; F97-I99 HydrophobicContact CE2-CD1 3.94Å; F97-I99 HydrophobicContact CE2-CG1 3.84Å; F97-I110 HydrophobicContact CD2-CG2 4Å; F97-C111 CarbonylContact C-O 3.58Å; F97-C111 WeakPolarHBondContact CA-O 3.12Å; F97-C111 WeakPolarHBondContact CB-O 3.4Å; F97-I112 HydrophobicContact CB-CD1 3.92Å; F97-I112 HydrophobicContact CG-CD1 4.38Å; F97-L177 HydrophobicContact CE2-CD2 4.27Å; F97-V179 HydrophobicContact CE1-CB 4.44Å; F97-V179 HydrophobicContact CE1-CG1 4.43Å; F97-V179 HydrophobicContact CE1-CG2 4.29Å; F97-V179 HydrophobicContact CE2-CG2 4.04Å; F97-V179 HydrophobicContact CZ-CB 4.42Å; F97-V179 HydrophobicContact CZ-CG2 3.85Å; F97-V196 HydrophobicContact CZ-CG1 4.4Å; F97-L198 HydrophobicContact CE2-CD1 3.86Å; F97-L198 HydrophobicContact CZ-CD1 3.64Å; F97-A213 WeakPolarHBondContact O-CA 3.37Å; F97-R214 PolarHBondContact N-O 3.1Å; F97-R214 VanDerWaalsContact N-O 3.15Å; F97-R214 PolarHBondContact O-N 3.28Å; F97-Y216 AromaticContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CE2 4.17Å; F97-Y216 AromaticContact CE1-CD2 3.2Å; F97-Y216 HydrophobicContact CE1-CD2 3.2Å; F97-Y216 AromaticContact CE1-CE2 3.7Å; F97-Y216 HydrophobicContact CE1-CE2 3.7Å; F97-Y216 AromaticContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE2-CD2 4.42Å; F97-Y216 HydrophobicContact CE2-CE2 4.09Å; F97-Y216 AromaticContact CZ-CD2 3.6Å; F97-Y216 HydrophobicContact CZ-CD2 3.6Å; F97-Y216 AromaticContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CG 4.23Å |
| 98 | A | 95 | Very high | 91.4 | Very high | 3 Ų | 3 | 49.5 Ų | 49.5 | 3% | 0.025 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.5 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | H100 I110 C111 Q211 A213 | A98-H100 WeakPolarHBondContact CB-NE2 3.44Å; A98-I110 CarbonylContact O-C 3.52Å; A98-I110 WeakPolarHBondContact O-CA 3.27Å; A98-C111 HydrophobicContact CB-CB 4.24Å; A98-C111 PolarHBondContact N-O 2.78Å; A98-C111 PolarHBondContact O-N 3.08Å; A98-Q211 WeakPolarHBondContact CB-O 3.08Å; A98-A213 HydrophobicContact CB-CB 4.18Å |
| 99 | I | 94.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 46.6 Ų | 46.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 122.4 | 176.3 | -47.1 | 175.9 | 0 | 0 | 0 | 108.7 | F97 L108 E109 L177 L198 L200 W203 F205 | F97-I99 HydrophobicContact CD2-CG1 4Å; F97-I99 HydrophobicContact CE2-CD1 3.94Å; F97-I99 HydrophobicContact CE2-CG1 3.84Å; I99-L108 HydrophobicContact CG2-CD1 3.58Å; I99-L108 HydrophobicContact CG2-CG 4.28Å; I99-E109 WeakPolarHBondContact CA-O 3.48Å; I99-L177 HydrophobicContact CD1-CD2 3.69Å; I99-L177 HydrophobicContact CG1-CD2 4.11Å; I99-L198 HydrophobicContact CD1-CD1 3.85Å; I99-L200 HydrophobicContact CD1-CD2 4.46Å; I99-W203 HydrophobicContact CB-CH2 4.43Å; I99-W203 HydrophobicContact CB-CZ2 3.68Å; I99-W203 HydrophobicContact CD1-CD2 4.04Å; I99-W203 HydrophobicContact CD1-CE3 3.99Å; I99-W203 HydrophobicContact CD1-CH2 3.75Å; I99-W203 HydrophobicContact CD1-CZ2 3.79Å; I99-W203 HydrophobicContact CD1-CZ3 3.86Å; I99-W203 HydrophobicContact CG1-CH2 4.09Å; I99-W203 HydrophobicContact CG1-CZ2 3.83Å; I99-W203 PolarHBondContact O-NE1 3.44Å; I99-F205 HydrophobicContact CG2-CE1 4.05Å |
| 100 | H | 91.8 | Very high | 93.4 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.9 | 177.1 | -53.4 | -90.5 | 0 | 0 | 0 | 110.3 | A98 L108 E109 Q211 | A98-H100 WeakPolarHBondContact CB-NE2 3.44Å; H100-L108 CarbonylContact O-C 3.59Å; H100-L108 WeakPolarHBondContact O-CA 3.49Å; H100-E109 HydrophobicContact CB-CB 4.42Å; H100-E109 PolarHBondContact N-O 2.96Å; H100-E109 PolarHBondContact O-N 3.01Å; H100-Q211 PolarHBondContact CE1-O 3.37Å; H100-Q211 WeakPolarHBondContact ND1-CB 3.39Å; H100-Q211 PolarHBondContact ND1-OE1 2.84Å; H100-Q211 PolarHBondContact NE2-O 2.74Å |
| 101 | Y | 91.9 | Very high | 93.9 | Very high | 24 Ų | 24 | 39.2 Ų | 39.2 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 116.4 | 168.7 | -172 | -95.4 | 0 | 0 | 0 | 110.2 | V103 C106 L108 V167 P169 L172 F205 | Y101-V103 HydrophobicContact CD1-CG2 3.92Å; Y101-V103 HydrophobicContact CE1-CG2 4.08Å; Y101-V103 PolarHBondContact O-N 2.96Å; Y101-C106 VanDerWaalsContact OH-CA 3.26Å; Y101-C106 WeakPolarHBondContact OH-CA 3.22Å; Y101-L108 HydrophobicContact CD2-CB 4.14Å; Y101-L108 HydrophobicContact CD2-CD1 4.29Å; Y101-V167 HydrophobicContact CE2-CG1 4.03Å; Y101-V167 VanDerWaalsContact CE2-O 3.25Å; Y101-V167 WeakPolarHBondContact CE2-O 3.49Å; Y101-V167 PolarHBondContact OH-O 3.49Å; Y101-P169 HydrophobicContact CE1-CB 4.11Å; Y101-P169 HydrophobicContact CE1-CG 3.72Å; Y101-P169 WeakPolarHBondContact OH-CD 3.39Å; Y101-P169 VanDerWaalsContact OH-CG 3.3Å; Y101-P169 WeakPolarHBondContact OH-CG 3.41Å; Y101-L172 HydrophobicContact CD1-CD1 4.46Å; Y101-L172 HydrophobicContact CD2-CD1 3.56Å; Y101-L172 HydrophobicContact CD2-CD2 4.25Å; Y101-L172 HydrophobicContact CD2-CG 4.42Å; Y101-L172 HydrophobicContact CE2-CD1 3.78Å; Y101-L172 HydrophobicContact CE2-CD2 4.35Å; Y101-L172 HydrophobicContact CE2-CG 4.37Å; Y101-L172 HydrophobicContact CG-CD1 3.92Å; Y101-F205 VanDerWaalsContact CB-CD1 3.46Å |
| 102 | C | 90.1 | Very high | 94.1 | Very high | 42 Ų | 42 | 37.5 Ų | 37.5 | 28% | 0.284 | 21% | 0.205 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 103.6 | 174.8 | -176.7 | 0 | 0 | 0 | 0 | 109.4 | K104 S105 C106 S107 | C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 2.99Å; C102-S105 WeakPolarHBondContact CB-OG 3.45Å; C102-S105 PolarHBondContact O-N 2.93Å; C102-S105 PolarHBondContact SG-OG 2.75Å; C102-C106 WeakPolarHBondContact O-CA 3.41Å; C102-C106 PolarHBondContact O-N 3.18Å; C102-S107 PolarHBondContact N-O 2.91Å; C102-S107 PolarHBondContact O-N 3.12Å; C102-S107 VanDerWaalsContact O-N 3.08Å |
| 103 | V | 87.8 | Confident | 94.3 | Very high | 106 Ų | 106 | 37.9 Ų | 37.9 | 64% | 0.642 | 20% | 0.201 | S | C | * | . | G | 310 helix | trans | -61.6 | -37.2 | 179.4 | -178.9 | 0 | 0 | 0 | 0 | 111.8 | Y101 S105 C106 | Y101-V103 HydrophobicContact CD1-CG2 3.92Å; Y101-V103 HydrophobicContact CE1-CG2 4.08Å; Y101-V103 PolarHBondContact O-N 2.96Å; V103-S105 VanDerWaalsContact C-N 3.29Å; V103-S105 PolarHBondContact O-N 3.19Å; V103-C106 PolarHBondContact O-N 2.84Å |
| 104 | K | 88.7 | Confident | 94.3 | Very high | 210 Ų | 210 | 38.3 Ų | 38.3 | 91% | 0.913 | 20% | 0.2 | S | C | * | . | G | 310 helix | trans | -62.8 | -34.9 | -178.3 | -66.7 | -176.2 | 179.3 | -179.8 | 0 | 113 | C102 | C102-K104 VanDerWaalsContact C-N 3.29Å; C102-K104 PolarHBondContact O-N 2.99Å |
| 105 | S | 88.9 | Confident | 94.3 | Very high | 50 Ų | 50 | 35.4 Ų | 35.4 | 35% | 0.35 | 19% | 0.186 | S | C | . | . | G | 310 helix | trans | -108.4 | 10.6 | -179.3 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | C102 V103 S107 Q166 | C102-S105 WeakPolarHBondContact CB-OG 3.45Å; C102-S105 PolarHBondContact O-N 2.93Å; C102-S105 PolarHBondContact SG-OG 2.75Å; V103-S105 VanDerWaalsContact C-N 3.29Å; V103-S105 PolarHBondContact O-N 3.19Å; S105-S107 PolarHBondContact O-N 3.48Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-OG 2.84Å; S105-Q166 PolarHBondContact O-OE1 3.16Å; S105-Q166 VanDerWaalsContact O-OE1 3.04Å |
| 106 | C | 90.2 | Very high | 94.3 | Very high | 53 Ų | 53 | 38.6 Ų | 38.6 | 36% | 0.358 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 42.3 | 47.2 | -174.2 | -64.8 | 0 | 0 | 0 | 0 | 113.4 | Y101 C102 V103 V167 | Y101-C106 VanDerWaalsContact OH-CA 3.26Å; Y101-C106 WeakPolarHBondContact OH-CA 3.22Å; C102-C106 WeakPolarHBondContact O-CA 3.41Å; C102-C106 PolarHBondContact O-N 3.18Å; V103-C106 PolarHBondContact O-N 2.84Å; C106-V167 CarbonylContact C-O 3.53Å; C106-V167 CarbonylContact O-C 3.49Å; C106-V167 PolarHBondContact O-N 2.85Å |
| 107 | S | 92 | Very high | 94.3 | Very high | 2 Ų | 2 | 41.3 Ų | 41.3 | 1% | 0.014 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.7 | -170.6 | 65.3 | 0 | 0 | 0 | 0 | 114.2 | C102 S105 Y165 | C102-S107 PolarHBondContact N-O 2.91Å; C102-S107 PolarHBondContact O-N 3.12Å; C102-S107 VanDerWaalsContact O-N 3.08Å; S105-S107 PolarHBondContact O-N 3.48Å; S105-S107 VanDerWaalsContact O-N 3.16Å; S105-S107 PolarHBondContact OG-OG 2.84Å; S107-Y165 CarbonylContact C-O 3.26Å; S107-Y165 WeakPolarHBondContact CA-O 3.25Å; S107-Y165 WeakPolarHBondContact CB-O 3.48Å |
| 108 | L | 93.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 122.5 | 168.9 | -175.5 | 75.8 | 0 | 0 | 0 | 109.3 | I99 H100 Y101 I110 L136 K164 Y165 V167 L172 L200 F205 | I99-L108 HydrophobicContact CG2-CD1 3.58Å; I99-L108 HydrophobicContact CG2-CG 4.28Å; H100-L108 CarbonylContact O-C 3.59Å; H100-L108 WeakPolarHBondContact O-CA 3.49Å; Y101-L108 HydrophobicContact CD2-CB 4.14Å; Y101-L108 HydrophobicContact CD2-CD1 4.29Å; L108-I110 HydrophobicContact CD2-CD1 4.05Å; L108-I110 HydrophobicContact CG-CD1 3.93Å; L108-L136 HydrophobicContact CD2-CD1 4.05Å; L108-K164 WeakPolarHBondContact O-CA 3.26Å; L108-Y165 PolarHBondContact N-O 2.87Å; L108-Y165 PolarHBondContact O-N 2.84Å; L108-V167 HydrophobicContact CB-CG1 3.69Å; L108-L172 HydrophobicContact CB-CD2 4.43Å; L108-L172 HydrophobicContact CD1-CD2 4.11Å; L108-L172 HydrophobicContact CD2-CD2 4.31Å; L108-L200 HydrophobicContact CD2-CD1 3.65Å; L108-F205 HydrophobicContact CD1-CE1 3.5Å; L108-F205 HydrophobicContact CD1-CZ 3.89Å |
| 109 | E | 94.8 | Very high | 94.4 | Very high | 38 Ų | 38 | 41.9 Ų | 41.9 | 18% | 0.178 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.9 | 124.7 | -178 | -54.1 | -162.7 | 167.9 | 0 | 0 | 110.3 | I99 H100 T162 K164 | I99-E109 WeakPolarHBondContact CA-O 3.48Å; H100-E109 HydrophobicContact CB-CB 4.42Å; H100-E109 PolarHBondContact N-O 2.96Å; H100-E109 PolarHBondContact O-N 3.01Å; E109-T162 HydrophobicContact CB-CG2 3.84Å; E109-T162 HydrophobicContact CG-CG2 4.49Å; E109-K164 HydrophobicContact CG-CD 4.13Å; E109-K164 HydrophobicContact CG-CG 4.08Å; E109-K164 WeakPolarHBondContact OE1-CE 3.35Å; E109-K164 IonicContact OE1-NZ 2.79Å; E109-K164 PolarHBondContact OE1-NZ 2.92Å; E109-K164 IonicContact OE2-NZ 3.05Å |
| 110 | I | 96.5 | Very high | 94.4 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 104.5 | -179.2 | -56.7 | 75.8 | 0 | 0 | 0 | 106.9 | F97 A98 L108 I112 T162 L163 Y165 L177 | F97-I110 HydrophobicContact CD2-CG2 4Å; A98-I110 CarbonylContact O-C 3.52Å; A98-I110 WeakPolarHBondContact O-CA 3.27Å; L108-I110 HydrophobicContact CD2-CD1 4.05Å; L108-I110 HydrophobicContact CG-CD1 3.93Å; I110-I112 HydrophobicContact CG2-CD1 3.63Å; I110-I112 HydrophobicContact CG2-CG1 4.43Å; I110-I112 PolarHBondContact O-N 2.86Å; I110-T162 WeakPolarHBondContact O-CA 3.35Å; I110-L163 WeakPolarHBondContact CD1-O 3.47Å; I110-L163 PolarHBondContact N-O 2.8Å; I110-L163 PolarHBondContact O-N 3.14Å; I110-Y165 HydrophobicContact CD1-CD2 3.47Å; I110-Y165 VanDerWaalsContact CD1-CD2 3.47Å; I110-Y165 HydrophobicContact CD1-CE2 3.68Å; I110-L177 HydrophobicContact CD1-CD1 4.32Å; I110-L177 HydrophobicContact CG1-CD1 3.96Å; I110-L177 HydrophobicContact CG1-CD2 3.72Å; I110-L177 HydrophobicContact CG2-CD2 4.29Å |
| 111 | C | 96.8 | Very high | 94.4 | Very high | 16 Ų | 16 | 42.3 Ų | 42.3 | 11% | 0.108 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 99.5 | -179.7 | -170 | 0 | 0 | 0 | 0 | 109.4 | F97 A98 K113 | F97-C111 CarbonylContact C-O 3.58Å; F97-C111 WeakPolarHBondContact CA-O 3.12Å; F97-C111 WeakPolarHBondContact CB-O 3.4Å; A98-C111 HydrophobicContact CB-CB 4.24Å; A98-C111 PolarHBondContact N-O 2.78Å; A98-C111 PolarHBondContact O-N 3.08Å; C111-K113 PolarHBondContact O-N 2.87Å; C111-K113 WeakPolarHBondContact SG-CE 3.43Å; C111-K113 PolarHBondContact SG-NZ 3.19Å; C111-K113 VanDerWaalsContact SG-NZ 3.38Å |
| 112 | I | 98.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.3 | 114.2 | 177.5 | -54.1 | -58.9 | 0 | 0 | 0 | 108.4 | I95 F97 I110 V132 T134 T148 F159 E160 E161 L163 V179 | I95-I112 HydrophobicContact CD1-CG2 4.37Å; F97-I112 HydrophobicContact CB-CD1 3.92Å; F97-I112 HydrophobicContact CG-CD1 4.38Å; I110-I112 HydrophobicContact CG2-CD1 3.63Å; I110-I112 HydrophobicContact CG2-CG1 4.43Å; I110-I112 PolarHBondContact O-N 2.86Å; I112-V132 HydrophobicContact CD1-CG1 4.02Å; I112-V132 HydrophobicContact CG1-CG1 4.33Å; I112-V132 HydrophobicContact CG2-CB 4.26Å; I112-V132 HydrophobicContact CG2-CG2 3.82Å; I112-T134 HydrophobicContact CD1-CG2 4.47Å; I112-T148 HydrophobicContact CB-CG2 4.11Å; I112-T148 HydrophobicContact CG1-CG2 4.05Å; I112-T148 HydrophobicContact CG2-CG2 4.16Å; I112-F159 HydrophobicContact CG2-CB 3.98Å; I112-F159 HydrophobicContact CG2-CD2 3.71Å; I112-F159 HydrophobicContact CG2-CE2 4.5Å; I112-F159 HydrophobicContact CG2-CG 4.03Å; I112-E160 WeakPolarHBondContact O-CA 3.48Å; I112-E160 PolarHBondContact O-N 3.01Å; I112-E160 VanDerWaalsContact O-N 3.09Å; I112-E161 PolarHBondContact N-O 2.87Å; I112-E161 PolarHBondContact O-N 3.13Å; I112-E161 VanDerWaalsContact O-N 3.08Å; I112-L163 HydrophobicContact CG1-CD1 4.09Å; I112-L163 HydrophobicContact CG1-CG 4.35Å; I112-V179 HydrophobicContact CD1-CG1 4.1Å |
| 113 | K | 98.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 46.4 Ų | 46.4 | 32% | 0.322 | 24% | 0.238 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | -75.9 | -176.9 | -63.1 | -60 | -168.9 | 179.5 | 0 | 111 | E96 C111 F159 E160 A213 | E96-K113 HydrophobicContact CB-CB 4.16Å; E96-K113 HydrophobicContact CG-CB 4.17Å; E96-K113 HydrophobicContact CG-CG 4.43Å; E96-K113 WeakPolarHBondContact O-CB 3.3Å; E96-K113 PolarHBondContact O-N 3.14Å; E96-K113 WeakPolarHBondContact OE2-CB 3.31Å; C111-K113 PolarHBondContact O-N 2.87Å; C111-K113 WeakPolarHBondContact SG-CE 3.43Å; C111-K113 PolarHBondContact SG-NZ 3.19Å; C111-K113 VanDerWaalsContact SG-NZ 3.38Å; K113-F159 PolarHBondContact O-N 3.43Å; K113-E160 PolarHBondContact O-N 3.21Å; K113-A213 HydrophobicContact CG-CB 3.93Å |
| 114 | T | 98.5 | Very high | 94.6 | Very high | 27 Ų | 27 | 51.6 Ų | 51.6 | 17% | 0.166 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 163.4 | -173.4 | -178.1 | 0 | 0 | 0 | 0 | 110.7 | E96 P157 W215 | E96-T114 HydrophobicContact CB-CG2 4.06Å; E96-T114 PolarHBondContact N-O 2.76Å; T114-P157 CarbonylContact C-O 3.56Å; T114-P157 WeakPolarHBondContact CA-O 3.38Å; T114-P157 WeakPolarHBondContact CB-O 3.38Å; T114-P157 PolarHBondContact OG1-O 2.85Å; T114-W215 HydrophobicContact CG2-CH2 3.48Å; T114-W215 VanDerWaalsContact CG2-CH2 3.48Å; T114-W215 HydrophobicContact CG2-CZ2 3.74Å; T114-W215 HydrophobicContact CG2-CZ3 4.44Å |
| 115 | C | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 161.9 | 162.3 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | E94 L118 D156 P157 | E94-C115 CarbonylContact O-C 3.58Å; E94-C115 VanDerWaalsContact O-CA 3.23Å; E94-C115 WeakPolarHBondContact O-CA 3.32Å; E94-C115 WeakPolarHBondContact O-CB 3.42Å; C115-L118 HydrophobicContact CB-CD1 3.87Å; C115-L118 HydrophobicContact CB-CD2 3.86Å; C115-L118 HydrophobicContact CB-CG 3.89Å; C115-D156 CarbonylContact O-C 3.59Å; C115-D156 WeakPolarHBondContact O-CA 3.35Å; C115-P157 HydrophobicContact CB-CG 3.77Å; C115-P157 PolarHBondContact N-O 3.24Å |
| 116 | K | 98.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 52.9 Ų | 52.9 | 29% | 0.291 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 152.4 | 170.7 | 68.2 | -173.1 | 174.2 | 172.7 | 0 | 112.3 | G93 E94 L118 D156 W215 | G93-K116 CarbonylContact C-O 3.49Å; G93-K116 WeakPolarHBondContact CA-O 3.45Å; E94-K116 HydrophobicContact CB-CG 4.4Å; E94-K116 PolarHBondContact N-O 2.81Å; E94-K116 PolarHBondContact O-N 3.29Å; E94-K116 WeakPolarHBondContact OE2-CE 3.34Å; E94-K116 IonicContact OE2-NZ 2.84Å; E94-K116 PolarHBondContact OE2-NZ 2.69Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.88Å; K116-D156 WeakPolarHBondContact CA-OD1 3.34Å; K116-D156 WeakPolarHBondContact CB-OD1 3.36Å; K116-W215 HydrophobicContact CB-CH2 4.14Å; K116-W215 HydrophobicContact CB-CZ3 4.21Å; K116-W215 HydrophobicContact CD-CE3 4.19Å; K116-W215 HydrophobicContact CD-CH2 3.71Å; K116-W215 HydrophobicContact CD-CZ2 4.2Å; K116-W215 HydrophobicContact CD-CZ3 3.74Å; K116-W215 HydrophobicContact CG-CE3 4.31Å; K116-W215 HydrophobicContact CG-CH2 3.86Å; K116-W215 HydrophobicContact CG-CZ3 3.6Å |
| 117 | N | 97.6 | Very high | 95.3 | Very high | 103 Ų | 103 | 53.6 Ų | 53.6 | 55% | 0.551 | 24% | 0.244 | S | C | * | . | S | Bend | trans | 55.6 | 36 | 175.4 | -59.2 | -39.9 | 0 | 0 | 0 | 114.2 | T92 G93 D156 | T92-N117 CarbonylContact C-O 3.56Å; T92-N117 WeakPolarHBondContact CB-O 3.33Å; T92-N117 PolarHBondContact OG1-O 2.98Å; G93-N117 WeakPolarHBondContact CA-O 3.49Å; G93-N117 PolarHBondContact N-O 2.87Å; N117-D156 PolarHBondContact N-OD1 3.39Å |
| 118 | L | 97.9 | Very high | 95.5 | Very high | 4 Ų | 4 | 53.6 Ų | 53.6 | 2% | 0.021 | 24% | 0.244 | C | C | . | . | P | Polyproline II helix | trans | -63.8 | 154.7 | 176.7 | -64.2 | -179.4 | 0 | 0 | 0 | 111.7 | C115 K116 P130 L155 P157 V181 L193 L218 | C115-L118 HydrophobicContact CB-CD1 3.87Å; C115-L118 HydrophobicContact CB-CD2 3.86Å; C115-L118 HydrophobicContact CB-CG 3.89Å; K116-L118 VanDerWaalsContact C-N 3.27Å; K116-L118 PolarHBondContact O-N 2.88Å; L118-P130 HydrophobicContact CD1-CB 3.6Å; L118-P130 HydrophobicContact CD1-CG 4.01Å; L118-L155 HydrophobicContact CB-CB 4.46Å; L118-L155 WeakPolarHBondContact CB-O 3.18Å; L118-L155 VanDerWaalsContact CG-O 3.25Å; L118-L155 WeakPolarHBondContact CG-O 3.38Å; L118-L155 PolarHBondContact N-O 3.47Å; L118-L155 VanDerWaalsContact N-O 3.15Å; L118-L155 WeakPolarHBondContact O-CD2 3.41Å; L118-P157 HydrophobicContact CD1-CG 3.81Å; L118-V181 HydrophobicContact CD1-CG1 3.99Å; L118-V181 HydrophobicContact CD2-CG1 4.13Å; L118-L193 HydrophobicContact CD1-CD1 4.5Å; L118-L218 HydrophobicContact CD2-CD1 3.32Å |
| 119 | A | 96.3 | Very high | 95.7 | Very high | 11 Ų | 11 | 54.2 Ų | 54.2 | 9% | 0.091 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -72.9 | 156.1 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | A89 N90 T92 G121 C128 L193 | A89-A119 HydrophobicContact CB-CB 4.06Å; N90-A119 WeakPolarHBondContact O-CB 3.24Å; T92-A119 PolarHBondContact OG1-N 2.9Å; A119-G121 PolarHBondContact O-N 2.84Å; A119-C128 PolarHBondContact O-SG 3.03Å; A119-L193 HydrophobicContact CB-CD2 4.44Å |
| 120 | Y | 95.6 | Very high | 95.9 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 22% | 0.216 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -69.5 | 130.2 | 168.2 | -65 | -74.6 | 0 | 0 | 0 | 109.8 | E122 R126 L155 | Y120-E122 VanDerWaalsContact C-N 3.34Å; Y120-R126 VanDerWaalsContact CD1-CA 3.47Å; Y120-R126 HydrophobicContact CD1-CB 4.09Å; Y120-R126 VanDerWaalsContact CD1-O 3.3Å; Y120-R126 WeakPolarHBondContact CD1-O 3.05Å; Y120-R126 HydrophobicContact CE1-CB 3.75Å; Y120-R126 WeakPolarHBondContact CE1-O 3.41Å; Y120-R126 PolarHBondContact OH-NE 2.85Å; Y120-R126 PolarHBondContact OH-NH2 3.32Å; Y120-L155 HydrophobicContact CD1-CD2 3.82Å; Y120-L155 HydrophobicContact CE1-CD1 3.97Å; Y120-L155 HydrophobicContact CE1-CD2 3.9Å; Y120-L155 HydrophobicContact CE1-CG 4.2Å; Y120-L155 HydrophobicContact CE2-CD1 4.2Å; Y120-L155 HydrophobicContact CG-CD2 4.38Å |
| 121 | G | 92.7 | Very high | 96 | Very high | 7 Ų | 7 | 53 Ų | 53 | 7% | 0.072 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -78.6 | -22 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | A119 K127 V191 | A119-G121 PolarHBondContact O-N 2.84Å; G121-K127 PolarHBondContact N-O 3.25Å; G121-V191 WeakPolarHBondContact O-CG2 3.28Å |
| 122 | E | 92.5 | Very high | 96.1 | Very high | 19 Ų | 19 | 52.2 Ų | 52.2 | 9% | 0.089 | 24% | 0.236 | C | C | . | . | B | Isolated β-bridge | trans | -126.2 | 87.6 | 170 | -69 | -179 | -118.3 | 0 | 0 | 109.3 | Y120 K124 K125 R126 K127 H183 G185 T186 | Y120-E122 VanDerWaalsContact C-N 3.34Å; E122-K124 PolarHBondContact O-N 2.91Å; E122-K125 HydrophobicContact CB-CB 4.29Å; E122-K125 CarbonylContact O-C 3.55Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-K125 VanDerWaalsContact O-N 3.1Å; E122-K125 VanDerWaalsContact OE2-CD 3.29Å; E122-K125 WeakPolarHBondContact OE2-CD 3.48Å; E122-K125 WeakPolarHBondContact OE2-CE 3.4Å; E122-K125 IonicContact OE2-NZ 2.75Å; E122-K125 PolarHBondContact OE2-NZ 3.44Å; E122-R126 PolarHBondContact O-N 3.18Å; E122-K127 HydrophobicContact CB-CB 4.27Å; E122-K127 PolarHBondContact N-O 2.94Å; E122-K127 VanDerWaalsContact N-O 3.08Å; E122-K127 PolarHBondContact O-N 3.32Å; E122-H183 IonicContact OE1-NE2 2.64Å; E122-H183 PolarHBondContact OE1-NE2 3.03Å; E122-G185 VanDerWaalsContact OE1-CA 3.32Å; E122-G185 WeakPolarHBondContact OE1-CA 3.45Å; E122-T186 PolarHBondContact OE1-N 2.97Å |
| 123 | E | 89.9 | Confident | 96 | Very high | 132 Ų | 132 | 52.8 Ų | 52.8 | 62% | 0.617 | 24% | 0.238 | S | C | * | . | G | 310 helix | trans | -53.4 | -49.4 | -174.9 | -166.2 | 63 | -156.7 | 0 | 0 | 112.6 | K125 R126 | E123-K125 PolarHBondContact O-N 3.25Å; E123-K125 VanDerWaalsContact O-N 3.14Å; E123-R126 PolarHBondContact O-N 3.17Å |
| 124 | K | 91.7 | Very high | 96 | Very high | 215 Ų | 215 | 49.2 Ų | 49.2 | 94% | 0.935 | 22% | 0.223 | S | C | * | . | G | 310 helix | trans | -58.6 | -31.5 | -179.2 | -64.8 | -174.5 | 179.4 | -177.6 | 0 | 113.6 | E122 | E122-K124 PolarHBondContact O-N 2.91Š|
| 125 | K | 92.7 | Very high | 95.9 | Very high | 121 Ų | 121 | 49.4 Ų | 49.4 | 53% | 0.526 | 22% | 0.22 | S | C | . | . | G | 310 helix | trans | -100.2 | -1.5 | -179.4 | -60.2 | -171.9 | -164.3 | 147.2 | 0 | 112.6 | E122 E123 K127 | E122-K125 HydrophobicContact CB-CB 4.29Å; E122-K125 CarbonylContact O-C 3.55Å; E122-K125 PolarHBondContact O-N 2.86Å; E122-K125 VanDerWaalsContact O-N 3.1Å; E122-K125 VanDerWaalsContact OE2-CD 3.29Å; E122-K125 WeakPolarHBondContact OE2-CD 3.48Å; E122-K125 WeakPolarHBondContact OE2-CE 3.4Å; E122-K125 IonicContact OE2-NZ 2.75Å; E122-K125 PolarHBondContact OE2-NZ 3.44Å; E123-K125 PolarHBondContact O-N 3.25Å; E123-K125 VanDerWaalsContact O-N 3.14Å; K125-K127 HydrophobicContact CB-CB 4.21Å; K125-K127 PolarHBondContact O-N 3.19Å |
| 126 | R | 94.1 | Very high | 95.6 | Very high | 166 Ų | 166 | 50.1 Ų | 50.1 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 45.3 | 46 | -171 | -61.6 | -172.7 | 63.6 | 155.4 | -0.5 | 112.1 | Y120 E122 E123 | Y120-R126 VanDerWaalsContact CD1-CA 3.47Å; Y120-R126 HydrophobicContact CD1-CB 4.09Å; Y120-R126 VanDerWaalsContact CD1-O 3.3Å; Y120-R126 WeakPolarHBondContact CD1-O 3.05Å; Y120-R126 HydrophobicContact CE1-CB 3.75Å; Y120-R126 WeakPolarHBondContact CE1-O 3.41Å; Y120-R126 PolarHBondContact OH-NE 2.85Å; Y120-R126 PolarHBondContact OH-NH2 3.32Å; E122-R126 PolarHBondContact O-N 3.18Å; E123-R126 PolarHBondContact O-N 3.17Å |
| 127 | K | 94.8 | Very high | 95.2 | Very high | 69 Ų | 69 | 47.2 Ų | 47.2 | 30% | 0.3 | 21% | 0.212 | S | C | . | . | B | Isolated β-bridge | trans | -113.2 | 135.6 | -175.7 | -166 | -178.8 | -169.2 | -176.8 | 0 | 111.3 | G121 E122 K125 N129 H183 | G121-K127 PolarHBondContact N-O 3.25Å; E122-K127 HydrophobicContact CB-CB 4.27Å; E122-K127 PolarHBondContact N-O 2.94Å; E122-K127 VanDerWaalsContact N-O 3.08Å; E122-K127 PolarHBondContact O-N 3.32Å; K125-K127 HydrophobicContact CB-CB 4.21Å; K125-K127 PolarHBondContact O-N 3.19Å; K127-N129 WeakPolarHBondContact CE-ND2 3.45Å; K127-N129 WeakPolarHBondContact CE-OD1 3.17Å; K127-H183 PolarHBondContact O-CE1 3Å |
| 128 | C | 96.7 | Very high | 94.7 | Very high | 1 Ų | 1 | 43.6 Ų | 43.6 | 1% | 0.007 | 19% | 0.194 | C | C | . | . | trans | -135.5 | 122.5 | 168.9 | -162.6 | 0 | 0 | 0 | 0 | 111.5 | A119 P130 N153 T154 L155 H183 | A119-C128 PolarHBondContact O-SG 3.03Å; C128-P130 VanDerWaalsContact C-CD 3.46Å; C128-P130 WeakPolarHBondContact O-CD 3.5Å; C128-N153 CarbonylContact O-C 3.42Å; C128-N153 WeakPolarHBondContact O-CA 3.13Å; C128-N153 PolarHBondContact O-N 3.21Å; C128-T154 WeakPolarHBondContact CB-O 3.21Å; C128-T154 PolarHBondContact O-N 2.91Å; C128-L155 HydrophobicContact CB-CD2 3.49Å; C128-L155 VanDerWaalsContact CB-CD2 3.49Å; C128-H183 WeakPolarHBondContact CA-ND1 3.47Å | ||
| 129 | N | 97.7 | Very high | 94 | Very high | 14 Ų | 14 | 44.4 Ų | 44.4 | 8% | 0.075 | 20% | 0.199 | C | C | . | . | trans | -116.7 | 79.3 | 170.7 | -44.7 | -58.3 | 0 | 0 | 0 | 108.5 | K127 V150 Q151 N153 H183 L184 | K127-N129 WeakPolarHBondContact CE-ND2 3.45Å; K127-N129 WeakPolarHBondContact CE-OD1 3.17Å; N129-V150 HydrophobicContact CB-CG1 3.75Å; N129-Q151 CarbonylContact C-O 3.56Å; N129-Q151 WeakPolarHBondContact CA-O 3.43Å; N129-Q151 WeakPolarHBondContact CB-O 3.24Å; N129-N153 PolarHBondContact OD1-N 3.41Å; N129-H183 PolarHBondContact N-CE1 3.32Å; N129-H183 VanDerWaalsContact N-CE1 3.31Å; N129-H183 PolarHBondContact N-ND1 2.64Å; N129-L184 WeakPolarHBondContact CB-O 3.34Å; N129-L184 PolarHBondContact ND2-O 3.29Å; N129-L184 PolarHBondContact O-N 3.45Å | ||
| 130 | P | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 148.1 | -170 | 30.3 | -37 | 0 | 0 | 0 | 112.9 | L118 C128 Q151 T154 P157 F159 V181 W182 L193 | L118-P130 HydrophobicContact CD1-CB 3.6Å; L118-P130 HydrophobicContact CD1-CG 4.01Å; C128-P130 VanDerWaalsContact C-CD 3.46Å; C128-P130 WeakPolarHBondContact O-CD 3.5Å; P130-Q151 VanDerWaalsContact CD-O 3.23Å; P130-Q151 WeakPolarHBondContact CD-O 3.33Å; P130-Q151 HydrophobicContact CG-CB 4.27Å; P130-Q151 PolarHBondContact O-N 3.45Å; P130-T154 WeakPolarHBondContact CD-O 3.28Å; P130-T154 HydrophobicContact CG-CG2 4.11Å; P130-P157 HydrophobicContact CB-CB 4.49Å; P130-P157 HydrophobicContact CB-CG 4Å; P130-P157 HydrophobicContact CG-CB 3.58Å; P130-P157 HydrophobicContact CG-CG 3.46Å; P130-P157 VanDerWaalsContact CG-CG 3.46Å; P130-F159 HydrophobicContact CB-CZ 4.4Å; P130-V181 HydrophobicContact CB-CG1 4.34Å; P130-W182 CarbonylContact C-O 3.56Å; P130-W182 VanDerWaalsContact CA-O 3.23Å; P130-W182 WeakPolarHBondContact CA-O 3.48Å; P130-L193 HydrophobicContact CB-CD1 4.46Å |
| 131 | Y | 98.5 | Very high | 92.7 | Very high | 11 Ų | 11 | 46.2 Ų | 46.2 | 4% | 0.043 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.8 | 155.3 | 166.2 | 67.6 | -79 | 0 | 0 | 0 | 110 | K133 V150 W182 L184 R190 | Y131-K133 HydrophobicContact CD2-CG 4.13Å; Y131-K133 HydrophobicContact CE2-CD 4.2Å; Y131-K133 HydrophobicContact CE2-CG 3.67Å; Y131-K133 PolarHBondContact OH-NZ 2.86Å; Y131-V150 HydrophobicContact CD1-CG2 4.04Å; Y131-V150 HydrophobicContact CG-CG2 4.1Å; Y131-W182 HydrophobicContact CD1-CB 3.96Å; Y131-W182 WeakPolarHBondContact CD1-O 3.3Å; Y131-W182 HydrophobicContact CD2-CB 4.39Å; Y131-W182 HydrophobicContact CE1-CB 3.4Å; Y131-W182 HydrophobicContact CE1-CG 4.47Å; Y131-W182 HydrophobicContact CE2-CB 3.9Å; Y131-W182 HydrophobicContact CE2-CG 4.24Å; Y131-W182 HydrophobicContact CG-CB 4.42Å; Y131-W182 AromaticContact CZ-CG 3.99Å; Y131-W182 PolarHBondContact N-O 2.83Å; Y131-W182 PolarHBondContact O-N 3.42Å; Y131-L184 HydrophobicContact CD1-CB 4.25Å; Y131-L184 HydrophobicContact CE1-CB 4.01Å; Y131-R190 WeakPolarHBondContact OH-CD 3.28Å; Y131-R190 WeakPolarHBondContact OH-CG 3.45Å |
| 132 | V | 98.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 138.9 | -179.4 | -176.7 | 0 | 0 | 0 | 0 | 109.5 | I95 I112 T134 K147 T148 F159 V179 S180 V181 | I95-V132 HydrophobicContact CD1-CG1 4.11Å; I95-V132 HydrophobicContact CD1-CG2 3.83Å; I112-V132 HydrophobicContact CD1-CG1 4.02Å; I112-V132 HydrophobicContact CG1-CG1 4.33Å; I112-V132 HydrophobicContact CG2-CB 4.26Å; I112-V132 HydrophobicContact CG2-CG2 3.82Å; V132-T134 HydrophobicContact CG1-CG2 4.35Å; V132-K147 CarbonylContact O-C 3.58Å; V132-K147 WeakPolarHBondContact O-CA 3.27Å; V132-K147 WeakPolarHBondContact O-CB 3.45Å; V132-T148 HydrophobicContact CB-CG2 3.97Å; V132-T148 PolarHBondContact N-OG1 3.14Å; V132-T148 PolarHBondContact O-N 3.42Å; V132-F159 HydrophobicContact CG2-CD2 4.22Å; V132-F159 HydrophobicContact CG2-CE2 3.73Å; V132-F159 HydrophobicContact CG2-CZ 3.95Å; V132-V179 HydrophobicContact CG1-CG1 3.54Å; V132-S180 CarbonylContact C-O 3.53Å; V132-S180 WeakPolarHBondContact CA-O 3.49Å; V132-V181 HydrophobicContact CG2-CG2 4.32Å |
| 133 | K | 97.8 | Very high | 91.4 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 5% | 0.052 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 139.6 | 165.8 | -62.7 | -172.7 | -174.1 | 89.7 | 0 | 109.4 | Y131 K145 R146 K147 S180 | Y131-K133 HydrophobicContact CD2-CG 4.13Å; Y131-K133 HydrophobicContact CE2-CD 4.2Å; Y131-K133 HydrophobicContact CE2-CG 3.67Å; Y131-K133 PolarHBondContact OH-NZ 2.86Å; K133-K145 HydrophobicContact CD-CD 3.85Å; K133-K145 HydrophobicContact CG-CD 4.39Å; K133-R146 WeakPolarHBondContact CA-O 3.47Å; K133-K147 HydrophobicContact CG-CB 4.37Å; K133-S180 PolarHBondContact N-O 3.15Å; K133-S180 PolarHBondContact O-N 3.31Å; K133-S180 PolarHBondContact O-OG 3.2Å; K133-S180 VanDerWaalsContact O-OG 3.11Å |
| 134 | T | 97.6 | Very high | 91.1 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.4 | 149.5 | 170.7 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | I112 V132 R146 L163 Y165 Q178 V179 | I112-T134 HydrophobicContact CD1-CG2 4.47Å; V132-T134 HydrophobicContact CG1-CG2 4.35Å; T134-R146 PolarHBondContact N-O 2.82Å; T134-R146 PolarHBondContact O-N 2.65Å; T134-R146 VanDerWaalsContact O-N 3.08Å; T134-R146 WeakPolarHBondContact OG1-CB 3.36Å; T134-L163 HydrophobicContact CG2-CD1 3.7Å; T134-Y165 WeakPolarHBondContact CB-OH 3.26Å; T134-Y165 PolarHBondContact O-OH 2.85Å; T134-Y165 PolarHBondContact OG1-OH 2.88Å; T134-Q178 CarbonylContact C-O 3.59Å; T134-Q178 WeakPolarHBondContact CA-O 3.02Å; T134-V179 HydrophobicContact CG2-CB 4.35Å; T134-V179 HydrophobicContact CG2-CG1 4.08Å; T134-V179 HydrophobicContact CG2-CG2 4.04Å |
| 135 | Y | 95.3 | Very high | 91.2 | Very high | 30 Ų | 30 | 39.8 Ų | 39.8 | 12% | 0.118 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 143 | 169.8 | -71.6 | -84.6 | 0 | 0 | 0 | 110 | D139 R140 K145 Y165 Q178 | Y135-D139 WeakPolarHBondContact CD1-O 3.38Å; Y135-R140 VanDerWaalsContact CE1-O 3.3Å; Y135-R140 WeakPolarHBondContact CE1-O 3.35Å; Y135-K145 HydrophobicContact CD1-CB 4.25Å; Y135-K145 HydrophobicContact CE1-CB 3.57Å; Y135-K145 HydrophobicContact CE1-CG 4.15Å; Y135-K145 HydrophobicContact CE2-CD 4.45Å; Y135-K145 HydrophobicContact CE2-CG 4.31Å; Y135-Y165 WeakPolarHBondContact CA-OH 3.25Å; Y135-Y165 PolarHBondContact N-OH 3.22Å; Y135-Q178 PolarHBondContact N-O 2.95Å; Y135-Q178 PolarHBondContact O-N 2.96Å |
| 136 | L | 93.7 | Very high | 91.4 | Very high | 15 Ų | 15 | 36.4 Ų | 36.4 | 8% | 0.079 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 92.7 | 168.2 | -170.4 | 65.8 | 0 | 0 | 0 | 107.7 | L108 D139 Y165 V167 R175 L200 | L108-L136 HydrophobicContact CD2-CD1 4.05Å; L136-D139 PolarHBondContact O-N 3.32Å; L136-D139 VanDerWaalsContact O-N 3.11Å; L136-Y165 HydrophobicContact CB-CD1 3.82Å; L136-Y165 HydrophobicContact CB-CE1 3.75Å; L136-Y165 HydrophobicContact CB-CG 4.42Å; L136-Y165 HydrophobicContact CD2-CD1 4.36Å; L136-V167 HydrophobicContact CD2-CB 4.12Å; L136-V167 HydrophobicContact CD2-CG1 4.3Å; L136-V167 HydrophobicContact CD2-CG2 4.04Å; L136-R175 HydrophobicContact CD1-CB 3.65Å; L136-R175 HydrophobicContact CD1-CG 4.23Å; L136-R175 HydrophobicContact CD2-CG 4.21Å; L136-R175 HydrophobicContact CG-CB 3.98Å; L136-R175 HydrophobicContact CG-CG 4.05Å; L136-L200 HydrophobicContact CD1-CD1 3.51Å |
| 137 | L | 90 | Very high | 91.5 | Very high | 6 Ų | 6 | 35.1 Ų | 35.1 | 3% | 0.031 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -63.4 | 140.7 | -175.8 | -62.1 | -178 | 0 | 0 | 0 | 110.5 | R140 R175 R176 Q178 | L137-R140 HydrophobicContact CD2-CG 3.54Å; L137-R175 WeakPolarHBondContact O-CD 3.45Å; L137-R176 HydrophobicContact CB-CB 4.23Å; L137-R176 WeakPolarHBondContact CB-O 3.17Å; L137-R176 HydrophobicContact CD1-CB 4.44Å; L137-R176 PolarHBondContact N-O 3.39Å; L137-R176 PolarHBondContact O-N 3.21Å; L137-Q178 HydrophobicContact CD1-CB 4.04Å; L137-Q178 HydrophobicContact CG-CB 4.13Å |
| 138 | P | 86.7 | Confident | 91.7 | Very high | 28 Ų | 28 | 32.1 Ų | 32.1 | 18% | 0.182 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | cis | -87.5 | -2 | 16.6 | 32.2 | -32.8 | 0 | 0 | 0 | 116 | R140 N233 | P138-R140 PolarHBondContact O-N 3.34Å; P138-N233 WeakPolarHBondContact CG-OD1 3.41Å |
| 139 | D | 83 | Confident | 91.8 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 11% | 0.112 | 19% | 0.192 | C | C | . | . | trans | -71.6 | 98.3 | -177.8 | -172.5 | 2.5 | 0 | 0 | 0 | 112 | Y135 L136 S141 P276 R348 | Y135-D139 WeakPolarHBondContact CD1-O 3.38Å; L136-D139 PolarHBondContact O-N 3.32Å; L136-D139 VanDerWaalsContact O-N 3.11Å; D139-S141 WeakPolarHBondContact OD1-CA 3.47Å; D139-S141 WeakPolarHBondContact OD1-CB 3.35Å; D139-S141 PolarHBondContact OD1-N 2.97Å; D139-S141 PolarHBondContact OD1-OG 3.16Å; D139-S141 PolarHBondContact OD2-OG 2.87Å; D139-P276 HydrophobicContact CB-CB 4.38Å; D139-R348 IonicContact OD1-NH1 3.81Å; D139-R348 PolarHBondContact OD1-NH1 3.18Å; D139-R348 IonicContact OD2-CZ 2.88Å; D139-R348 IonicContact OD2-NH1 3.37Å; D139-R348 PolarHBondContact OD2-NH1 2.96Å | ||
| 140 | R | 84.4 | Confident | 91.8 | Very high | 73 Ų | 73 | 43.1 Ų | 43.1 | 28% | 0.275 | 20% | 0.204 | S | C | . | . | trans | -95.2 | 6.3 | 172 | -63.8 | -170.1 | 177 | 172.3 | 1.4 | 113.7 | E82 Y135 L137 P138 E226 | E82-R140 WeakPolarHBondContact OE1-CD 3.05Å; Y135-R140 VanDerWaalsContact CE1-O 3.3Å; Y135-R140 WeakPolarHBondContact CE1-O 3.35Å; L137-R140 HydrophobicContact CD2-CG 3.54Å; P138-R140 PolarHBondContact O-N 3.34Å; R140-E226 IonicContact NH2-OE2 2.69Å | ||
| 141 | S | 79.6 | Confident | 91.8 | Very high | 30 Ų | 30 | 46.3 Ų | 46.3 | 21% | 0.21 | 22% | 0.219 | C | C | . | . | S | Bend | trans | -62.3 | 158.7 | -178.5 | 73.8 | 0 | 0 | 0 | 0 | 112.1 | D139 Q143 G144 K145 R348 | D139-S141 WeakPolarHBondContact OD1-CA 3.47Å; D139-S141 WeakPolarHBondContact OD1-CB 3.35Å; D139-S141 PolarHBondContact OD1-N 2.97Å; D139-S141 PolarHBondContact OD1-OG 3.16Å; D139-S141 PolarHBondContact OD2-OG 2.87Å; S141-Q143 PolarHBondContact O-N 3.21Å; S141-Q143 VanDerWaalsContact O-N 3.14Å; S141-G144 PolarHBondContact O-N 3.22Å; S141-G144 VanDerWaalsContact O-N 3.09Å; S141-G144 PolarHBondContact OG-N 2.97Å; S141-K145 PolarHBondContact O-N 2.87Å; S141-R348 PolarHBondContact OG-NH1 3.23Å; S141-R348 VanDerWaalsContact OG-NH1 3.09Å |
| 142 | S | 79.4 | Confident | 91.7 | Very high | 79 Ų | 79 | 54 Ų | 54 | 55% | 0.552 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.4 | -28.7 | 175.6 | 56.1 | 0 | 0 | 0 | 0 | 113.1 | ||
| 143 | Q | 78.9 | Confident | 91.6 | Very high | 96 Ų | 96 | 59.2 Ų | 59.2 | 45% | 0.449 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | -32 | 178.2 | -58.5 | -60 | -29.3 | 0 | 0 | 112.8 | S141 K145 R146 | S141-Q143 PolarHBondContact O-N 3.21Å; S141-Q143 VanDerWaalsContact O-N 3.14Å; Q143-K145 VanDerWaalsContact C-N 3.29Å; Q143-R146 PolarHBondContact O-NH1 2.86Å |
| 144 | G | 84 | Confident | 91.7 | Very high | 5 Ų | 5 | 60.6 Ų | 60.6 | 5% | 0.052 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | S141 Y165 | S141-G144 PolarHBondContact O-N 3.22Å; S141-G144 VanDerWaalsContact O-N 3.09Å; S141-G144 PolarHBondContact OG-N 2.97Å; G144-Y165 WeakPolarHBondContact O-CE1 3.47Å; G144-Y165 PolarHBondContact O-OH 3.04Å |
| 145 | K | 92.8 | Very high | 91.7 | Very high | 58 Ų | 58 | 62.4 Ų | 62.4 | 25% | 0.252 | 30% | 0.3 | S | S | . | . | trans | -70.6 | 140.4 | 180 | -176.6 | 173.7 | 55.8 | -147.1 | 0 | 112.3 | K133 Y135 S141 Q143 | K133-K145 HydrophobicContact CD-CD 3.85Å; K133-K145 HydrophobicContact CG-CD 4.39Å; Y135-K145 HydrophobicContact CD1-CB 4.25Å; Y135-K145 HydrophobicContact CE1-CB 3.57Å; Y135-K145 HydrophobicContact CE1-CG 4.15Å; Y135-K145 HydrophobicContact CE2-CD 4.45Å; Y135-K145 HydrophobicContact CE2-CG 4.31Å; S141-K145 PolarHBondContact O-N 2.87Å; Q143-K145 VanDerWaalsContact C-N 3.29Å | ||
| 146 | R | 96.4 | Very high | 91.8 | Very high | 51 Ų | 51 | 64.9 Ų | 64.9 | 19% | 0.192 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 155.6 | 157.2 | -55.4 | -67.9 | 178.2 | -85.8 | -10.7 | 109.4 | K133 T134 Q143 L163 K164 Y165 | K133-R146 WeakPolarHBondContact CA-O 3.47Å; T134-R146 PolarHBondContact N-O 2.82Å; T134-R146 PolarHBondContact O-N 2.65Å; T134-R146 VanDerWaalsContact O-N 3.08Å; T134-R146 WeakPolarHBondContact OG1-CB 3.36Å; Q143-R146 PolarHBondContact O-NH1 2.86Å; R146-L163 HydrophobicContact CB-CB 3.87Å; R146-L163 HydrophobicContact CB-CD1 3.99Å; R146-L163 HydrophobicContact CB-CD2 4.18Å; R146-L163 HydrophobicContact CB-CG 4.23Å; R146-L163 HydrophobicContact CG-CB 4.37Å; R146-K164 PolarHBondContact NE-O 2.75Å; R146-K164 PolarHBondContact NH2-O 2.84Å; R146-Y165 HydrophobicContact CG-CE1 4.21Å; R146-Y165 HydrophobicContact CG-CE2 3.97Å |
| 147 | K | 97.4 | Very high | 92 | Very high | 138 Ų | 138 | 64.2 Ų | 64.2 | 60% | 0.6 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.4 | 150.9 | 178 | 66.1 | 173.9 | -174.4 | 171.7 | 0 | 111 | V132 K133 L163 | V132-K147 CarbonylContact O-C 3.58Å; V132-K147 WeakPolarHBondContact O-CA 3.27Å; V132-K147 WeakPolarHBondContact O-CB 3.45Å; K133-K147 HydrophobicContact CG-CB 4.37Å; K147-L163 WeakPolarHBondContact O-CD2 3.29Å |
| 148 | T | 98.6 | Very high | 92.4 | Very high | 6 Ų | 6 | 67.4 Ų | 67.4 | 4% | 0.037 | 33% | 0.332 | C | S | . | . | trans | -81.2 | 175.5 | 169.5 | 64 | 0 | 0 | 0 | 0 | 111.2 | I112 V132 F159 E161 L163 | I112-T148 HydrophobicContact CB-CG2 4.11Å; I112-T148 HydrophobicContact CG1-CG2 4.05Å; I112-T148 HydrophobicContact CG2-CG2 4.16Å; V132-T148 HydrophobicContact CB-CG2 3.97Å; V132-T148 PolarHBondContact N-OG1 3.14Å; V132-T148 PolarHBondContact O-N 3.42Å; T148-F159 HydrophobicContact CG2-CB 4.48Å; T148-F159 HydrophobicContact CG2-CD1 4.27Å; T148-F159 HydrophobicContact CG2-CG 4.41Å; T148-F159 WeakPolarHBondContact OG1-CD1 3.4Å; T148-F159 WeakPolarHBondContact OG1-CE1 3.48Å; T148-E161 VanDerWaalsContact CA-OE2 3.3Å; T148-E161 WeakPolarHBondContact CA-OE2 3.2Å; T148-E161 WeakPolarHBondContact CB-OE1 3.34Å; T148-E161 HydrophobicContact CG2-CB 4.04Å; T148-L163 HydrophobicContact CG2-CD1 4.2Å; T148-L163 HydrophobicContact CG2-CD2 4.34Å; T148-L163 HydrophobicContact CG2-CG 4.48Å | ||
| 149 | R | 98.2 | Very high | 93 | Very high | 192 Ų | 192 | 66.7 Ų | 66.7 | 73% | 0.725 | 33% | 0.326 | S | S | * | . | P | Polyproline II helix | trans | -66.1 | 159.1 | 162.7 | -61.6 | 175.7 | -178.4 | -96.8 | 0.1 | 110.3 | F159 E161 | R149-F159 WeakPolarHBondContact O-CE1 3.46Å; R149-E161 VanDerWaalsContact CB-OE1 3.26Å; R149-E161 WeakPolarHBondContact CB-OE1 3.42Å; R149-E161 WeakPolarHBondContact CG-OE1 3.45Å; R149-E161 PolarHBondContact N-OE1 3.04Å; R149-E161 PolarHBondContact N-OE2 2.86Å; R149-E161 VanDerWaalsContact N-OE2 3.16Å |
| 150 | V | 98.1 | Very high | 93.7 | Very high | 54 Ų | 54 | 72.8 Ų | 72.8 | 33% | 0.327 | 35% | 0.353 | S | S | . | . | P | Polyproline II helix | trans | -87.1 | 120.2 | 175.8 | -178.9 | 0 | 0 | 0 | 0 | 108.4 | N129 Y131 L184 | N129-V150 HydrophobicContact CB-CG1 3.75Å; Y131-V150 HydrophobicContact CD1-CG2 4.04Å; Y131-V150 HydrophobicContact CG-CG2 4.1Å; V150-L184 HydrophobicContact CG1-CB 4.18Å; V150-L184 HydrophobicContact CG1-CD2 4.44Å; V150-L184 HydrophobicContact CG2-CB 4.41Å; V150-L184 HydrophobicContact CG2-CD2 3.94Å |
| 151 | Q | 98.4 | Very high | 94.3 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -82.6 | 140.2 | 167.6 | -66.5 | -61.4 | -7.9 | 0 | 0 | 109.1 | N129 P130 T154 P157 T158 F159 | N129-Q151 CarbonylContact C-O 3.56Å; N129-Q151 WeakPolarHBondContact CA-O 3.43Å; N129-Q151 WeakPolarHBondContact CB-O 3.24Å; P130-Q151 VanDerWaalsContact CD-O 3.23Å; P130-Q151 WeakPolarHBondContact CD-O 3.33Å; P130-Q151 HydrophobicContact CG-CB 4.27Å; P130-Q151 PolarHBondContact O-N 3.45Å; Q151-T154 HydrophobicContact CB-CG2 3.93Å; Q151-P157 HydrophobicContact CB-CB 3.74Å; Q151-P157 HydrophobicContact CG-CB 3.79Å; Q151-T158 PolarHBondContact NE2-O 2.95Å; Q151-F159 HydrophobicContact CB-CE1 4.36Å; Q151-F159 HydrophobicContact CG-CD1 3.89Å; Q151-F159 HydrophobicContact CG-CE1 3.7Å; Q151-F159 HydrophobicContact CG-CZ 4.37Å |
| 152 | K | 97.2 | Very high | 95.1 | Very high | 173 Ų | 173 | 72.9 Ų | 72.9 | 75% | 0.752 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -101.3 | 136.6 | -172.4 | -67 | -178.9 | -178.6 | 175.6 | 0 | 110.8 | T154 | K152-T154 PolarHBondContact O-N 3.19Š|
| 153 | N | 96.7 | Very high | 96 | Very high | 110 Ų | 110 | 69.8 Ų | 69.8 | 59% | 0.588 | 34% | 0.335 | S | S | * | . | S | Bend | trans | 47.3 | 52.4 | 170.2 | -158.3 | 52.4 | 0 | 0 | 0 | 115.4 | C128 N129 | C128-N153 CarbonylContact O-C 3.42Å; C128-N153 WeakPolarHBondContact O-CA 3.13Å; C128-N153 PolarHBondContact O-N 3.21Å; N129-N153 PolarHBondContact OD1-N 3.41Å |
| 154 | T | 98.2 | Very high | 96.8 | Very high | 40 Ų | 40 | 70.1 Ų | 70.1 | 25% | 0.245 | 34% | 0.335 | C | S | . | . | trans | -145.1 | 145.7 | 179.5 | -179.6 | 0 | 0 | 0 | 0 | 111.4 | C128 P130 Q151 K152 D156 P157 | C128-T154 WeakPolarHBondContact CB-O 3.21Å; C128-T154 PolarHBondContact O-N 2.91Å; P130-T154 WeakPolarHBondContact CD-O 3.28Å; P130-T154 HydrophobicContact CG-CG2 4.11Å; Q151-T154 HydrophobicContact CB-CG2 3.93Å; K152-T154 PolarHBondContact O-N 3.19Å; T154-D156 PolarHBondContact OG1-N 3.26Å; T154-P157 HydrophobicContact CG2-CB 3.84Å | ||
| 155 | L | 98.1 | Very high | 97.2 | Very high | 39 Ų | 39 | 70.4 Ų | 70.4 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -96.1 | -10.8 | 169.8 | -57.3 | -174.3 | 0 | 0 | 0 | 112.5 | L118 Y120 C128 P157 | L118-L155 HydrophobicContact CB-CB 4.46Å; L118-L155 WeakPolarHBondContact CB-O 3.18Å; L118-L155 VanDerWaalsContact CG-O 3.25Å; L118-L155 WeakPolarHBondContact CG-O 3.38Å; L118-L155 PolarHBondContact N-O 3.47Å; L118-L155 VanDerWaalsContact N-O 3.15Å; L118-L155 WeakPolarHBondContact O-CD2 3.41Å; Y120-L155 HydrophobicContact CD1-CD2 3.82Å; Y120-L155 HydrophobicContact CE1-CD1 3.97Å; Y120-L155 HydrophobicContact CE1-CD2 3.9Å; Y120-L155 HydrophobicContact CE1-CG 4.2Å; Y120-L155 HydrophobicContact CE2-CD1 4.2Å; Y120-L155 HydrophobicContact CG-CD2 4.38Å; C128-L155 HydrophobicContact CB-CD2 3.49Å; C128-L155 VanDerWaalsContact CB-CD2 3.49Å; L155-P157 WeakPolarHBondContact O-CD 3.4Å |
| 156 | D | 98.4 | Very high | 97.2 | Very high | 81 Ų | 81 | 71.2 Ų | 71.2 | 43% | 0.433 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -126.9 | 61.4 | -176.3 | -51.1 | -79.2 | 0 | 0 | 0 | 109.9 | C115 K116 N117 T154 | C115-D156 CarbonylContact O-C 3.59Å; C115-D156 WeakPolarHBondContact O-CA 3.35Å; K116-D156 WeakPolarHBondContact CA-OD1 3.34Å; K116-D156 WeakPolarHBondContact CB-OD1 3.36Å; N117-D156 PolarHBondContact N-OD1 3.39Å; T154-D156 PolarHBondContact OG1-N 3.26Å |
| 157 | P | 98.3 | Very high | 96.8 | Very high | 2 Ų | 2 | 69 Ų | 69 | 1% | 0.013 | 33% | 0.332 | C | S | . | . | trans | -70.2 | 133 | -175.1 | 30.1 | -38.3 | 0 | 0 | 0 | 112.6 | T114 C115 L118 P130 Q151 T154 L155 F159 | T114-P157 CarbonylContact C-O 3.56Å; T114-P157 WeakPolarHBondContact CA-O 3.38Å; T114-P157 WeakPolarHBondContact CB-O 3.38Å; T114-P157 PolarHBondContact OG1-O 2.85Å; C115-P157 HydrophobicContact CB-CG 3.77Å; C115-P157 PolarHBondContact N-O 3.24Å; L118-P157 HydrophobicContact CD1-CG 3.81Å; P130-P157 HydrophobicContact CB-CB 4.49Å; P130-P157 HydrophobicContact CB-CG 4Å; P130-P157 HydrophobicContact CG-CB 3.58Å; P130-P157 HydrophobicContact CG-CG 3.46Å; P130-P157 VanDerWaalsContact CG-CG 3.46Å; Q151-P157 HydrophobicContact CB-CB 3.74Å; Q151-P157 HydrophobicContact CG-CB 3.79Å; T154-P157 HydrophobicContact CG2-CB 3.84Å; L155-P157 WeakPolarHBondContact O-CD 3.4Å; P157-F159 HydrophobicContact CB-CD2 4.41Å; P157-F159 HydrophobicContact CB-CE1 4.33Å; P157-F159 HydrophobicContact CB-CE2 3.73Å; P157-F159 HydrophobicContact CB-CZ 3.68Å; P157-F159 HydrophobicContact CG-CD2 4.48Å; P157-F159 HydrophobicContact CG-CE2 3.53Å; P157-F159 HydrophobicContact CG-CZ 3.71Å | ||
| 158 | T | 98.4 | Very high | 96.2 | Very high | 73 Ų | 73 | 66.8 Ų | 66.8 | 45% | 0.448 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 123.1 | 164.5 | -59.5 | 0 | 0 | 0 | 0 | 109.4 | Q151 E160 | Q151-T158 PolarHBondContact NE2-O 2.95Å; T158-E160 HydrophobicContact CG2-CG 3.76Å |
| 159 | F | 98.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 69.1 Ų | 69.1 | 6% | 0.057 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | -52.3 | -178.7 | -64.1 | -77.4 | 0 | 0 | 0 | 112 | I112 K113 P130 V132 T148 R149 Q151 P157 E161 | I112-F159 HydrophobicContact CG2-CB 3.98Å; I112-F159 HydrophobicContact CG2-CD2 3.71Å; I112-F159 HydrophobicContact CG2-CE2 4.5Å; I112-F159 HydrophobicContact CG2-CG 4.03Å; K113-F159 PolarHBondContact O-N 3.43Å; P130-F159 HydrophobicContact CB-CZ 4.4Å; V132-F159 HydrophobicContact CG2-CD2 4.22Å; V132-F159 HydrophobicContact CG2-CE2 3.73Å; V132-F159 HydrophobicContact CG2-CZ 3.95Å; T148-F159 HydrophobicContact CG2-CB 4.48Å; T148-F159 HydrophobicContact CG2-CD1 4.27Å; T148-F159 HydrophobicContact CG2-CG 4.41Å; T148-F159 WeakPolarHBondContact OG1-CD1 3.4Å; T148-F159 WeakPolarHBondContact OG1-CE1 3.48Å; R149-F159 WeakPolarHBondContact O-CE1 3.46Å; Q151-F159 HydrophobicContact CB-CE1 4.36Å; Q151-F159 HydrophobicContact CG-CD1 3.89Å; Q151-F159 HydrophobicContact CG-CE1 3.7Å; Q151-F159 HydrophobicContact CG-CZ 4.37Å; P157-F159 HydrophobicContact CB-CD2 4.41Å; P157-F159 HydrophobicContact CB-CE1 4.33Å; P157-F159 HydrophobicContact CB-CE2 3.73Å; P157-F159 HydrophobicContact CB-CZ 3.68Å; P157-F159 HydrophobicContact CG-CD2 4.48Å; P157-F159 HydrophobicContact CG-CE2 3.53Å; P157-F159 HydrophobicContact CG-CZ 3.71Å; F159-E161 PolarHBondContact O-N 3.03Å |
| 160 | E | 97 | Very high | 95 | Very high | 148 Ų | 148 | 62.1 Ų | 62.1 | 69% | 0.692 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.9 | 41.6 | -174.3 | -62 | -177.3 | 159.4 | 0 | 0 | 113.4 | I112 K113 T158 | I112-E160 WeakPolarHBondContact O-CA 3.48Å; I112-E160 PolarHBondContact O-N 3.01Å; I112-E160 VanDerWaalsContact O-N 3.09Å; K113-E160 PolarHBondContact O-N 3.21Å; T158-E160 HydrophobicContact CG2-CG 3.76Å |
| 161 | E | 98.2 | Very high | 94.3 | Very high | 40 Ų | 40 | 59.8 Ų | 59.8 | 19% | 0.187 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 135.8 | -176.7 | -74.7 | -177.9 | -115.4 | 0 | 0 | 111.7 | I112 T148 R149 F159 | I112-E161 PolarHBondContact N-O 2.87Å; I112-E161 PolarHBondContact O-N 3.13Å; I112-E161 VanDerWaalsContact O-N 3.08Å; T148-E161 VanDerWaalsContact CA-OE2 3.3Å; T148-E161 WeakPolarHBondContact CA-OE2 3.2Å; T148-E161 WeakPolarHBondContact CB-OE1 3.34Å; T148-E161 HydrophobicContact CG2-CB 4.04Å; R149-E161 VanDerWaalsContact CB-OE1 3.26Å; R149-E161 WeakPolarHBondContact CB-OE1 3.42Å; R149-E161 WeakPolarHBondContact CG-OE1 3.45Å; R149-E161 PolarHBondContact N-OE1 3.04Å; R149-E161 PolarHBondContact N-OE2 2.86Å; R149-E161 VanDerWaalsContact N-OE2 3.16Å; F159-E161 PolarHBondContact O-N 3.03Å |
| 162 | T | 97 | Very high | 93.8 | Very high | 66 Ų | 66 | 56.8 Ų | 56.8 | 41% | 0.405 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 116.5 | 174.7 | -61.2 | 0 | 0 | 0 | 0 | 111.1 | E109 I110 K164 | E109-T162 HydrophobicContact CB-CG2 3.84Å; E109-T162 HydrophobicContact CG-CG2 4.49Å; I110-T162 WeakPolarHBondContact O-CA 3.35Å; T162-K164 HydrophobicContact CG2-CG 4.12Å |
| 163 | L | 97.1 | Very high | 93.3 | Very high | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 128.8 | 175.8 | -54.2 | -178.8 | 0 | 0 | 0 | 109.7 | I110 I112 T134 R146 K147 T148 | I110-L163 WeakPolarHBondContact CD1-O 3.47Å; I110-L163 PolarHBondContact N-O 2.8Å; I110-L163 PolarHBondContact O-N 3.14Å; I112-L163 HydrophobicContact CG1-CD1 4.09Å; I112-L163 HydrophobicContact CG1-CG 4.35Å; T134-L163 HydrophobicContact CG2-CD1 3.7Å; R146-L163 HydrophobicContact CB-CB 3.87Å; R146-L163 HydrophobicContact CB-CD1 3.99Å; R146-L163 HydrophobicContact CB-CD2 4.18Å; R146-L163 HydrophobicContact CB-CG 4.23Å; R146-L163 HydrophobicContact CG-CB 4.37Å; K147-L163 WeakPolarHBondContact O-CD2 3.29Å; T148-L163 HydrophobicContact CG2-CD1 4.2Å; T148-L163 HydrophobicContact CG2-CD2 4.34Å; T148-L163 HydrophobicContact CG2-CG 4.48Å |
| 164 | K | 95.5 | Very high | 92.7 | Very high | 104 Ų | 104 | 51.1 Ų | 51.1 | 45% | 0.452 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 139.8 | -172.8 | -55.8 | -165.7 | -177 | -158.8 | 0 | 113.7 | L108 E109 R146 T162 | L108-K164 WeakPolarHBondContact O-CA 3.26Å; E109-K164 HydrophobicContact CG-CD 4.13Å; E109-K164 HydrophobicContact CG-CG 4.08Å; E109-K164 WeakPolarHBondContact OE1-CE 3.35Å; E109-K164 IonicContact OE1-NZ 2.79Å; E109-K164 PolarHBondContact OE1-NZ 2.92Å; E109-K164 IonicContact OE2-NZ 3.05Å; R146-K164 PolarHBondContact NE-O 2.75Å; R146-K164 PolarHBondContact NH2-O 2.84Å; T162-K164 HydrophobicContact CG2-CG 4.12Å |
| 165 | Y | 93.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 49.6 Ų | 49.6 | 4% | 0.039 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 133.4 | 171.4 | -67.5 | -94.4 | 0 | 0 | 0 | 110.3 | S107 L108 I110 T134 Y135 L136 G144 R146 | S107-Y165 CarbonylContact C-O 3.26Å; S107-Y165 WeakPolarHBondContact CA-O 3.25Å; S107-Y165 WeakPolarHBondContact CB-O 3.48Å; L108-Y165 PolarHBondContact N-O 2.87Å; L108-Y165 PolarHBondContact O-N 2.84Å; I110-Y165 HydrophobicContact CD1-CD2 3.47Å; I110-Y165 VanDerWaalsContact CD1-CD2 3.47Å; I110-Y165 HydrophobicContact CD1-CE2 3.68Å; T134-Y165 WeakPolarHBondContact CB-OH 3.26Å; T134-Y165 PolarHBondContact O-OH 2.85Å; T134-Y165 PolarHBondContact OG1-OH 2.88Å; Y135-Y165 WeakPolarHBondContact CA-OH 3.25Å; Y135-Y165 PolarHBondContact N-OH 3.22Å; L136-Y165 HydrophobicContact CB-CD1 3.82Å; L136-Y165 HydrophobicContact CB-CE1 3.75Å; L136-Y165 HydrophobicContact CB-CG 4.42Å; L136-Y165 HydrophobicContact CD2-CD1 4.36Å; G144-Y165 WeakPolarHBondContact O-CE1 3.47Å; G144-Y165 PolarHBondContact O-OH 3.04Å; R146-Y165 HydrophobicContact CG-CE1 4.21Å; R146-Y165 HydrophobicContact CG-CE2 3.97Å |
| 166 | Q | 91.3 | Very high | 92 | Very high | 76 Ų | 76 | 50.7 Ų | 50.7 | 36% | 0.355 | 27% | 0.27 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 113.7 | 166.6 | -67.6 | -64.6 | -35.1 | 0 | 0 | 108.2 | S105 S279 | S105-Q166 PolarHBondContact O-OE1 3.16Å; S105-Q166 VanDerWaalsContact O-OE1 3.04Å; Q166-S279 WeakPolarHBondContact CB-O 3.5Å; Q166-S279 VanDerWaalsContact CG-O 3.28Å; Q166-S279 WeakPolarHBondContact CG-O 3.1Å |
| 167 | V | 88.1 | Confident | 91.9 | Very high | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.03 | 25% | 0.249 | C | C | . | . | trans | -153.2 | 129.1 | -176 | 58.9 | 0 | 0 | 0 | 0 | 109.6 | Y101 C106 L108 L136 Q171 L172 | Y101-V167 HydrophobicContact CE2-CG1 4.03Å; Y101-V167 VanDerWaalsContact CE2-O 3.25Å; Y101-V167 WeakPolarHBondContact CE2-O 3.49Å; Y101-V167 PolarHBondContact OH-O 3.49Å; C106-V167 CarbonylContact C-O 3.53Å; C106-V167 CarbonylContact O-C 3.49Å; C106-V167 PolarHBondContact O-N 2.85Å; L108-V167 HydrophobicContact CB-CG1 3.69Å; L136-V167 HydrophobicContact CD2-CB 4.12Å; L136-V167 HydrophobicContact CD2-CG1 4.3Å; L136-V167 HydrophobicContact CD2-CG2 4.04Å; V167-Q171 HydrophobicContact CG2-CB 3.78Å; V167-L172 HydrophobicContact CG1-CD2 3.65Å; V167-L172 HydrophobicContact CG2-CD2 4.2Å | ||
| 168 | D | 86.2 | Confident | 91.8 | Very high | 91 Ų | 91 | 47.4 Ų | 47.4 | 49% | 0.487 | 25% | 0.252 | S | S | . | . | trans | -64 | 143 | 176.1 | -177.8 | -88.7 | 0 | 0 | 0 | 111 | G170 Q171 | D168-G170 PolarHBondContact O-N 3.49Å; D168-G170 VanDerWaalsContact O-N 3.17Å; D168-G170 WeakPolarHBondContact OD1-CA 3.29Å; D168-G170 PolarHBondContact OD1-N 2.88Å; D168-Q171 HydrophobicContact CB-CG 4.31Å; D168-Q171 WeakPolarHBondContact O-CB 3.31Å; D168-Q171 PolarHBondContact O-N 2.85Å | ||
| 169 | P | 86.2 | Confident | 91.8 | Very high | 54 Ų | 54 | 44 Ų | 44 | 35% | 0.351 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -57.6 | -34.5 | -177 | -16.1 | 25.4 | 0 | 0 | 0 | 112.6 | Y101 Q171 L172 | Y101-P169 HydrophobicContact CE1-CB 4.11Å; Y101-P169 HydrophobicContact CE1-CG 3.72Å; Y101-P169 WeakPolarHBondContact OH-CD 3.39Å; Y101-P169 VanDerWaalsContact OH-CG 3.3Å; Y101-P169 WeakPolarHBondContact OH-CG 3.41Å; P169-Q171 PolarHBondContact O-N 2.82Å; P169-L172 PolarHBondContact O-N 2.83Å |
| 170 | G | 84.9 | Confident | 91.7 | Very high | 45 Ų | 45 | 43.4 Ų | 43.4 | 46% | 0.464 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -66.6 | -22.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | D168 | D168-G170 PolarHBondContact O-N 3.49Å; D168-G170 VanDerWaalsContact O-N 3.17Å; D168-G170 WeakPolarHBondContact OD1-CA 3.29Å; D168-G170 PolarHBondContact OD1-N 2.88Å |
| 171 | Q | 83.3 | Confident | 91.8 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 3% | 0.028 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -81.2 | -26.7 | 177.5 | -66.3 | -162.9 | 9.5 | 0 | 0 | 113.1 | V167 D168 P169 M173 T174 R175 L275 | V167-Q171 HydrophobicContact CG2-CB 3.78Å; D168-Q171 HydrophobicContact CB-CG 4.31Å; D168-Q171 WeakPolarHBondContact O-CB 3.31Å; D168-Q171 PolarHBondContact O-N 2.85Å; P169-Q171 PolarHBondContact O-N 2.82Å; Q171-M173 PolarHBondContact O-N 2.93Å; Q171-M173 VanDerWaalsContact O-N 3.11Å; Q171-T174 PolarHBondContact O-N 2.85Å; Q171-T174 PolarHBondContact O-OG1 3.36Å; Q171-R175 WeakPolarHBondContact O-CG 2.89Å; Q171-L275 PolarHBondContact NE2-O 2.86Å; Q171-L275 PolarHBondContact OE1-O 2.84Å |
| 172 | L | 88.5 | Confident | 91.8 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 2% | 0.016 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -53.4 | -39.1 | -174.1 | -66.4 | 171 | 0 | 0 | 0 | 112 | Y101 L108 V167 P169 T174 R175 L200 F205 | Y101-L172 HydrophobicContact CD1-CD1 4.46Å; Y101-L172 HydrophobicContact CD2-CD1 3.56Å; Y101-L172 HydrophobicContact CD2-CD2 4.25Å; Y101-L172 HydrophobicContact CD2-CG 4.42Å; Y101-L172 HydrophobicContact CE2-CD1 3.78Å; Y101-L172 HydrophobicContact CE2-CD2 4.35Å; Y101-L172 HydrophobicContact CE2-CG 4.37Å; Y101-L172 HydrophobicContact CG-CD1 3.92Å; L108-L172 HydrophobicContact CB-CD2 4.43Å; L108-L172 HydrophobicContact CD1-CD2 4.11Å; L108-L172 HydrophobicContact CD2-CD2 4.31Å; V167-L172 HydrophobicContact CG1-CD2 3.65Å; V167-L172 HydrophobicContact CG2-CD2 4.2Å; P169-L172 PolarHBondContact O-N 2.83Å; L172-T174 PolarHBondContact O-N 3.13Å; L172-R175 PolarHBondContact O-N 2.77Å; L172-L200 HydrophobicContact CD2-CD1 4Å; L172-L200 VanDerWaalsContact O-CB 3.28Å; L172-L200 WeakPolarHBondContact O-CB 3.48Å; L172-F205 HydrophobicContact CB-CE2 4.24Å; L172-F205 HydrophobicContact CD1-CD2 4.11Å; L172-F205 HydrophobicContact CD1-CE2 3.73Å; L172-F205 HydrophobicContact CD1-CZ 3.99Å; L172-F205 HydrophobicContact CD2-CZ 4.4Å; L172-F205 HydrophobicContact CG-CE2 4.47Å |
| 173 | M | 85.5 | Confident | 91.8 | Very high | 106 Ų | 106 | 32.6 Ų | 32.6 | 52% | 0.522 | 17% | 0.172 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -16 | -178.8 | -54.5 | -55.8 | 159.3 | 0 | 0 | 114.1 | Q171 A201 | Q171-M173 PolarHBondContact O-N 2.93Å; Q171-M173 VanDerWaalsContact O-N 3.11Å; M173-A201 WeakPolarHBondContact O-CB 3.22Å |
| 174 | T | 84.5 | Confident | 91.7 | Very high | 58 Ų | 58 | 34.8 Ų | 34.8 | 36% | 0.356 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 3 | 179.1 | 64.5 | 0 | 0 | 0 | 0 | 113.2 | Q171 L172 | Q171-T174 PolarHBondContact O-N 2.85Å; Q171-T174 PolarHBondContact O-OG1 3.36Å; L172-T174 PolarHBondContact O-N 3.13Å |
| 175 | R | 88.9 | Confident | 91.6 | Very high | 9 Ų | 9 | 30.3 Ų | 30.3 | 3% | 0.034 | 17% | 0.167 | C | C | . | . | trans | -110.3 | 155.6 | -173.3 | -61.8 | -67.7 | -178.3 | -117.9 | -3.7 | 111.5 | L136 L137 Q171 L172 L200 N274 L275 | L136-R175 HydrophobicContact CD1-CB 3.65Å; L136-R175 HydrophobicContact CD1-CG 4.23Å; L136-R175 HydrophobicContact CD2-CG 4.21Å; L136-R175 HydrophobicContact CG-CB 3.98Å; L136-R175 HydrophobicContact CG-CG 4.05Å; L137-R175 WeakPolarHBondContact O-CD 3.45Å; Q171-R175 WeakPolarHBondContact O-CG 2.89Å; L172-R175 PolarHBondContact O-N 2.77Å; R175-L200 HydrophobicContact CB-CD1 4.17Å; R175-L200 PolarHBondContact O-N 3.41Å; R175-N274 PolarHBondContact NH2-O 3.42Å; R175-L275 PolarHBondContact NH2-O 3.41Å | ||
| 176 | R | 93.2 | Very high | 91.3 | Very high | 61 Ų | 61 | 33.2 Ų | 33.2 | 23% | 0.23 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 132.6 | 169.5 | -53.3 | -175.6 | -70.3 | 144.4 | 1.6 | 108.6 | L137 I197 L198 P199 E226 | L137-R176 HydrophobicContact CB-CB 4.23Å; L137-R176 WeakPolarHBondContact CB-O 3.17Å; L137-R176 HydrophobicContact CD1-CB 4.44Å; L137-R176 PolarHBondContact N-O 3.39Å; L137-R176 PolarHBondContact O-N 3.21Å; R176-I197 HydrophobicContact CB-CG2 4.2Å; R176-L198 CarbonylContact C-O 3.57Å; R176-L198 WeakPolarHBondContact CA-O 3.36Å; R176-P199 HydrophobicContact CG-CB 4.4Å; R176-E226 IonicContact CZ-OE1 2.68Å; R176-E226 IonicContact CZ-OE2 2.95Å; R176-E226 VanDerWaalsContact NH1-CD 3.31Å; R176-E226 IonicContact NH1-OE1 3.64Å; R176-E226 PolarHBondContact NH1-OE1 3.08Å; R176-E226 IonicContact NH1-OE2 2.79Å; R176-E226 PolarHBondContact NH1-OE2 3.01Å; R176-E226 IonicContact NH2-OE1 2.69Å; R176-E226 IonicContact NH2-OE2 3.91Å; R176-E226 PolarHBondContact NH2-OE2 3.19Å |
| 177 | L | 95.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.3 | 120.5 | 172.3 | 177.6 | 66.5 | 0 | 0 | 0 | 108.5 | F97 I99 I110 V179 I197 L198 L200 | F97-L177 HydrophobicContact CE2-CD2 4.27Å; I99-L177 HydrophobicContact CD1-CD2 3.69Å; I99-L177 HydrophobicContact CG1-CD2 4.11Å; I110-L177 HydrophobicContact CD1-CD1 4.32Å; I110-L177 HydrophobicContact CG1-CD1 3.96Å; I110-L177 HydrophobicContact CG1-CD2 3.72Å; I110-L177 HydrophobicContact CG2-CD2 4.29Å; L177-V179 HydrophobicContact CD1-CG2 4.37Å; L177-V179 HydrophobicContact CD2-CG2 3.87Å; L177-V179 HydrophobicContact CG-CG2 3.8Å; L177-I197 CarbonylContact O-C 3.57Å; L177-I197 WeakPolarHBondContact O-CA 3.4Å; L177-L198 PolarHBondContact N-O 3.42Å; L177-L198 PolarHBondContact O-N 3.26Å; L177-L200 HydrophobicContact CB-CD2 3.99Å; L177-L200 HydrophobicContact CB-CG 4.33Å |
| 178 | Q | 96.7 | Very high | 91 | Very high | 14 Ų | 14 | 41 Ų | 41 | 7% | 0.065 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 121.8 | 170 | 179 | -179.8 | 5.9 | 0 | 0 | 108.5 | T134 Y135 L137 E195 I197 | T134-Q178 CarbonylContact C-O 3.59Å; T134-Q178 WeakPolarHBondContact CA-O 3.02Å; Y135-Q178 PolarHBondContact N-O 2.95Å; Y135-Q178 PolarHBondContact O-N 2.96Å; L137-Q178 HydrophobicContact CD1-CB 4.04Å; L137-Q178 HydrophobicContact CG-CB 4.13Å; Q178-E195 PolarHBondContact NE2-OE2 2.62Å; Q178-I197 HydrophobicContact CB-CG1 4.27Å; Q178-I197 HydrophobicContact CG-CG1 4.04Å |
| 179 | V | 97.8 | Very high | 91.2 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.006 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 118 | 175.9 | -173 | 0 | 0 | 0 | 0 | 107.5 | I95 F97 I112 V132 T134 L177 E195 V196 | I95-V179 HydrophobicContact CD1-CG1 3.8Å; F97-V179 HydrophobicContact CE1-CB 4.44Å; F97-V179 HydrophobicContact CE1-CG1 4.43Å; F97-V179 HydrophobicContact CE1-CG2 4.29Å; F97-V179 HydrophobicContact CE2-CG2 4.04Å; F97-V179 HydrophobicContact CZ-CB 4.42Å; F97-V179 HydrophobicContact CZ-CG2 3.85Å; I112-V179 HydrophobicContact CD1-CG1 4.1Å; V132-V179 HydrophobicContact CG1-CG1 3.54Å; T134-V179 HydrophobicContact CG2-CB 4.35Å; T134-V179 HydrophobicContact CG2-CG1 4.08Å; T134-V179 HydrophobicContact CG2-CG2 4.04Å; L177-V179 HydrophobicContact CD1-CG2 4.37Å; L177-V179 HydrophobicContact CD2-CG2 3.87Å; L177-V179 HydrophobicContact CG-CG2 3.8Å; V179-E195 CarbonylContact O-C 3.14Å; V179-E195 WeakPolarHBondContact O-CA 3.48Å; V179-E195 WeakPolarHBondContact O-CB 3.31Å; V179-V196 PolarHBondContact N-O 3.36Å; V179-V196 PolarHBondContact O-N 3.4Å |
| 180 | S | 97.4 | Very high | 91.5 | Very high | 1 Ų | 1 | 44.8 Ų | 44.8 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 137.6 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 111.2 | V132 K133 W182 G194 | V132-S180 CarbonylContact C-O 3.53Å; V132-S180 WeakPolarHBondContact CA-O 3.49Å; K133-S180 PolarHBondContact N-O 3.15Å; K133-S180 PolarHBondContact O-N 3.31Å; K133-S180 PolarHBondContact O-OG 3.2Å; K133-S180 VanDerWaalsContact O-OG 3.11Å; S180-W182 PolarHBondContact OG-NE1 2.75Å; S180-G194 CarbonylContact C-O 3.45Å; S180-G194 WeakPolarHBondContact CA-O 3.47Å |
| 181 | V | 98.2 | Very high | 91.9 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 137.2 | 179.4 | -170 | 0 | 0 | 0 | 0 | 108.9 | I95 L118 P130 V132 L193 G194 L218 | I95-V181 HydrophobicContact CD1-CG2 4.04Å; L118-V181 HydrophobicContact CD1-CG1 3.99Å; L118-V181 HydrophobicContact CD2-CG1 4.13Å; P130-V181 HydrophobicContact CB-CG1 4.34Å; V132-V181 HydrophobicContact CG2-CG2 4.32Å; V181-L193 HydrophobicContact CB-CB 4.19Å; V181-L193 HydrophobicContact CG1-CB 4.16Å; V181-L193 HydrophobicContact CG1-CD1 4.15Å; V181-L193 WeakPolarHBondContact O-CB 3.39Å; V181-L193 PolarHBondContact O-N 2.82Å; V181-G194 PolarHBondContact N-O 2.8Å; V181-L218 HydrophobicContact CB-CD1 4.36Å; V181-L218 HydrophobicContact CB-CD2 4.48Å; V181-L218 HydrophobicContact CG2-CD1 3.97Å; V181-L218 HydrophobicContact CG2-CD2 3.65Å; V181-L218 HydrophobicContact CG2-CG 4.49Å |
| 182 | W | 97.6 | Very high | 92.5 | Very high | 28 Ų | 28 | 42.8 Ų | 42.8 | 11% | 0.106 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 147.9 | -173.9 | -61.9 | 79.5 | 0 | 0 | 0 | 110.6 | F86 P130 Y131 S180 R190 V191 F192 | F86-W182 HydrophobicContact CB-CZ3 4.25Å; F86-W182 HydrophobicContact CD1-CZ3 4.06Å; F86-W182 HydrophobicContact CD2-CH2 4.15Å; F86-W182 HydrophobicContact CD2-CZ3 4.05Å; F86-W182 HydrophobicContact CE1-CZ3 4.47Å; F86-W182 HydrophobicContact CE2-CH2 4.39Å; F86-W182 HydrophobicContact CE2-CZ3 4.46Å; F86-W182 HydrophobicContact CG-CH2 4.41Å; F86-W182 AromaticContact CG-CZ3 3.84Å; F86-W182 HydrophobicContact CG-CZ3 3.84Å; P130-W182 CarbonylContact C-O 3.56Å; P130-W182 VanDerWaalsContact CA-O 3.23Å; P130-W182 WeakPolarHBondContact CA-O 3.48Å; Y131-W182 HydrophobicContact CD1-CB 3.96Å; Y131-W182 WeakPolarHBondContact CD1-O 3.3Å; Y131-W182 HydrophobicContact CD2-CB 4.39Å; Y131-W182 HydrophobicContact CE1-CB 3.4Å; Y131-W182 HydrophobicContact CE1-CG 4.47Å; Y131-W182 HydrophobicContact CE2-CB 3.9Å; Y131-W182 HydrophobicContact CE2-CG 4.24Å; Y131-W182 HydrophobicContact CG-CB 4.42Å; Y131-W182 AromaticContact CZ-CG 3.99Å; Y131-W182 PolarHBondContact N-O 2.83Å; Y131-W182 PolarHBondContact O-N 3.42Å; S180-W182 PolarHBondContact OG-NE1 2.75Å; W182-R190 HydrophobicContact CE3-CB 4.22Å; W182-V191 CarbonylContact C-O 3.41Å; W182-V191 WeakPolarHBondContact CA-O 3.46Å; W182-F192 HydrophobicContact CD2-CD2 4.31Å; W182-F192 AromaticContact CE2-CD2 3.98Å; W182-F192 HydrophobicContact CE3-CB 4.22Å; W182-F192 HydrophobicContact CE3-CD2 4.44Å; W182-F192 HydrophobicContact CH2-CB 4.48Å; W182-F192 HydrophobicContact CH2-CD2 4.01Å; W182-F192 AromaticContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CE2 4.45Å; W182-F192 HydrophobicContact CZ3-CB 4.05Å; W182-F192 HydrophobicContact CZ3-CD2 4.3Å |
| 183 | H | 97 | Very high | 92.8 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 139.3 | 167.5 | 173.8 | 84.9 | 0 | 0 | 0 | 110.8 | E122 K127 C128 N129 G185 R190 V191 L193 | E122-H183 IonicContact OE1-NE2 2.64Å; E122-H183 PolarHBondContact OE1-NE2 3.03Å; K127-H183 PolarHBondContact O-CE1 3Å; C128-H183 WeakPolarHBondContact CA-ND1 3.47Å; N129-H183 PolarHBondContact N-CE1 3.32Å; N129-H183 VanDerWaalsContact N-CE1 3.31Å; N129-H183 PolarHBondContact N-ND1 2.64Å; H183-G185 PolarHBondContact CD2-N 3.17Å; H183-G185 VanDerWaalsContact CD2-N 3.26Å; H183-G185 WeakPolarHBondContact NE2-CA 3.29Å; H183-G185 PolarHBondContact NE2-N 3.31Å; H183-R190 VanDerWaalsContact O-CA 3.31Å; H183-R190 WeakPolarHBondContact O-CA 3.25Å; H183-V191 HydrophobicContact CB-CB 4.05Å; H183-V191 PolarHBondContact N-O 3.08Å; H183-V191 PolarHBondContact O-N 3.23Å; H183-V191 VanDerWaalsContact O-N 3.14Å; H183-L193 HydrophobicContact CB-CD1 4Å; H183-L193 HydrophobicContact CB-CD2 4.25Å; H183-L193 HydrophobicContact CB-CG 4.17Å |
| 184 | L | 96.4 | Very high | 93.4 | Very high | 58 Ų | 58 | 37.6 Ų | 37.6 | 30% | 0.304 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 105.9 | 165.1 | -176.7 | 64.7 | 0 | 0 | 0 | 110.4 | N129 Y131 V150 A188 | N129-L184 WeakPolarHBondContact CB-O 3.34Å; N129-L184 PolarHBondContact ND2-O 3.29Å; N129-L184 PolarHBondContact O-N 3.45Å; Y131-L184 HydrophobicContact CD1-CB 4.25Å; Y131-L184 HydrophobicContact CE1-CB 4.01Å; V150-L184 HydrophobicContact CG1-CB 4.18Å; V150-L184 HydrophobicContact CG1-CD2 4.44Å; V150-L184 HydrophobicContact CG2-CB 4.41Å; V150-L184 HydrophobicContact CG2-CD2 3.94Å; L184-A188 HydrophobicContact CD1-CB 4.39Å |
| 185 | G | 92.3 | Very high | 94 | Very high | 11 Ų | 11 | 35.5 Ų | 35.5 | 11% | 0.113 | 18% | 0.178 | C | C | . | . | trans | -90.1 | -175.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E122 H183 A188 R189 | E122-G185 VanDerWaalsContact OE1-CA 3.32Å; E122-G185 WeakPolarHBondContact OE1-CA 3.45Å; H183-G185 PolarHBondContact CD2-N 3.17Å; H183-G185 VanDerWaalsContact CD2-N 3.26Å; H183-G185 WeakPolarHBondContact NE2-CA 3.29Å; H183-G185 PolarHBondContact NE2-N 3.31Å; G185-A188 PolarHBondContact O-N 2.88Å; G185-R189 PolarHBondContact N-O 3.18Å | ||
| 186 | T | 87.1 | Confident | 94.4 | Very high | 70 Ų | 70 | 35.7 Ų | 35.7 | 43% | 0.429 | 18% | 0.18 | S | C | . | . | G | 310 helix | trans | -56.6 | 146.9 | 171.4 | 53.8 | 0 | 0 | 0 | 0 | 111.6 | E122 A188 R189 | E122-T186 PolarHBondContact OE1-N 2.97Å; T186-A188 PolarHBondContact O-N 2.82Å; T186-R189 PolarHBondContact O-N 3.24Å |
| 187 | L | 87.8 | Confident | 94.4 | Very high | 178 Ų | 178 | 35.1 Ų | 35.1 | 93% | 0.932 | 18% | 0.181 | S | C | * | . | G | 310 helix | trans | 57.3 | 30 | -178.3 | -54.5 | 172.6 | 0 | 0 | 0 | 113.9 | R189 | L187-R189 PolarHBondContact O-N 2.93Å; L187-R189 VanDerWaalsContact O-N 3.12Å |
| 188 | A | 86.5 | Confident | 94.4 | Very high | 68 Ų | 68 | 36.4 Ų | 36.4 | 56% | 0.562 | 19% | 0.188 | S | C | * | . | G | 310 helix | trans | 60.2 | 17.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | L184 G185 T186 | L184-A188 HydrophobicContact CD1-CB 4.39Å; G185-A188 PolarHBondContact O-N 2.88Å; T186-A188 PolarHBondContact O-N 2.82Å |
| 189 | R | 89.8 | Confident | 94.2 | Very high | 114 Ų | 114 | 38.1 Ų | 38.1 | 43% | 0.43 | 20% | 0.2 | S | C | . | . | trans | -60.1 | 138.4 | 170.6 | -178.9 | 171.5 | 168.8 | -117 | 21.6 | 109.9 | D87 G185 T186 L187 | D87-R189 VanDerWaalsContact CG-CZ 3.5Å; D87-R189 IonicContact OD1-CZ 3.84Å; D87-R189 IonicContact OD1-NH2 2.74Å; D87-R189 PolarHBondContact OD1-NH2 2.79Å; D87-R189 IonicContact OD2-CZ 2.66Å; D87-R189 IonicContact OD2-NE 2.98Å; D87-R189 PolarHBondContact OD2-NE 3.15Å; D87-R189 IonicContact OD2-NH2 2.9Å; D87-R189 PolarHBondContact OD2-NH2 2.92Å; G185-R189 PolarHBondContact N-O 3.18Å; T186-R189 PolarHBondContact O-N 3.24Å; L187-R189 PolarHBondContact O-N 2.93Å; L187-R189 VanDerWaalsContact O-N 3.12Å | ||
| 190 | R | 93 | Very high | 93.9 | Very high | 109 Ų | 109 | 38 Ų | 38 | 41% | 0.411 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.9 | -178.9 | -60.3 | 168.3 | -175.8 | 160.1 | 5 | 108.6 | F86 Y131 W182 H183 | F86-R190 HydrophobicContact CD1-CB 3.92Å; F86-R190 WeakPolarHBondContact CD1-O 3.34Å; F86-R190 HydrophobicContact CE1-CB 4.03Å; Y131-R190 WeakPolarHBondContact OH-CD 3.28Å; Y131-R190 WeakPolarHBondContact OH-CG 3.45Å; W182-R190 HydrophobicContact CE3-CB 4.22Å; H183-R190 VanDerWaalsContact O-CA 3.31Å; H183-R190 WeakPolarHBondContact O-CA 3.25Å |
| 191 | V | 93.7 | Very high | 93.4 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 133 | 176.5 | 178.4 | 0 | 0 | 0 | 0 | 107.8 | D87 A89 G121 W182 H183 | D87-V191 HydrophobicContact CB-CG1 4.45Å; D87-V191 HydrophobicContact CB-CG2 4.25Å; D87-V191 WeakPolarHBondContact O-CA 3.45Å; D87-V191 WeakPolarHBondContact O-CG1 3.21Å; A89-V191 HydrophobicContact CB-CG1 4.04Å; G121-V191 WeakPolarHBondContact O-CG2 3.28Å; W182-V191 CarbonylContact C-O 3.41Å; W182-V191 WeakPolarHBondContact CA-O 3.46Å; H183-V191 HydrophobicContact CB-CB 4.05Å; H183-V191 PolarHBondContact N-O 3.08Å; H183-V191 PolarHBondContact O-N 3.23Å; H183-V191 VanDerWaalsContact O-N 3.14Å |
| 192 | F | 94.8 | Very high | 92.6 | Very high | 5 Ų | 5 | 47.9 Ų | 47.9 | 2% | 0.022 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.8 | 130.8 | 179.8 | 178.3 | -101 | 0 | 0 | 0 | 109.9 | D87 A89 V91 W182 G194 E195 K221 | D87-F192 PolarHBondContact O-N 3.21Å; A89-F192 PolarHBondContact N-O 2.89Å; A89-F192 VanDerWaalsContact N-O 3.15Å; V91-F192 HydrophobicContact CG2-CD1 4.36Å; V91-F192 HydrophobicContact CG2-CE1 4.22Å; W182-F192 HydrophobicContact CD2-CD2 4.31Å; W182-F192 AromaticContact CE2-CD2 3.98Å; W182-F192 HydrophobicContact CE3-CB 4.22Å; W182-F192 HydrophobicContact CE3-CD2 4.44Å; W182-F192 HydrophobicContact CH2-CB 4.48Å; W182-F192 HydrophobicContact CH2-CD2 4.01Å; W182-F192 AromaticContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CD2 3.85Å; W182-F192 HydrophobicContact CZ2-CE2 4.45Å; W182-F192 HydrophobicContact CZ3-CB 4.05Å; W182-F192 HydrophobicContact CZ3-CD2 4.3Å; F192-G194 VanDerWaalsContact CZ-CA 3.41Å; F192-E195 HydrophobicContact CE2-CB 4.02Å; F192-E195 HydrophobicContact CE2-CG 4.44Å; F192-E195 HydrophobicContact CZ-CB 3.75Å; F192-E195 HydrophobicContact CZ-CG 3.82Å; F192-K221 HydrophobicContact CE1-CB 4.03Å; F192-K221 HydrophobicContact CZ-CB 4.16Å |
| 193 | L | 96.3 | Very high | 92 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 0.2 | -177.5 | -58.9 | -179 | 0 | 0 | 0 | 113.2 | A89 V91 L118 A119 P130 V181 H183 | A89-L193 HydrophobicContact CB-CD2 3.79Å; V91-L193 WeakPolarHBondContact CG1-O 3.37Å; L118-L193 HydrophobicContact CD1-CD1 4.5Å; A119-L193 HydrophobicContact CB-CD2 4.44Å; P130-L193 HydrophobicContact CB-CD1 4.46Å; V181-L193 HydrophobicContact CB-CB 4.19Å; V181-L193 HydrophobicContact CG1-CB 4.16Å; V181-L193 HydrophobicContact CG1-CD1 4.15Å; V181-L193 WeakPolarHBondContact O-CB 3.39Å; V181-L193 PolarHBondContact O-N 2.82Å; H183-L193 HydrophobicContact CB-CD1 4Å; H183-L193 HydrophobicContact CB-CD2 4.25Å; H183-L193 HydrophobicContact CB-CG 4.17Å |
| 194 | G | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 126.9 | 166.3 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | S180 V181 F192 R219 | S180-G194 CarbonylContact C-O 3.45Å; S180-G194 WeakPolarHBondContact CA-O 3.47Å; V181-G194 PolarHBondContact N-O 2.8Å; F192-G194 VanDerWaalsContact CZ-CA 3.41Å; G194-R219 CarbonylContact C-O 3.55Å; G194-R219 VanDerWaalsContact CA-O 3.24Å; G194-R219 WeakPolarHBondContact CA-O 3.28Å |
| 195 | E | 97.3 | Very high | 90.6 | Very high | 15 Ų | 15 | 50.7 Ų | 50.7 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 165.5 | 178.9 | 71.7 | -171.2 | 174.8 | 0 | 0 | 114.1 | Q178 V179 F192 R219 | Q178-E195 PolarHBondContact NE2-OE2 2.62Å; V179-E195 CarbonylContact O-C 3.14Å; V179-E195 WeakPolarHBondContact O-CA 3.48Å; V179-E195 WeakPolarHBondContact O-CB 3.31Å; F192-E195 HydrophobicContact CE2-CB 4.02Å; F192-E195 HydrophobicContact CE2-CG 4.44Å; F192-E195 HydrophobicContact CZ-CB 3.75Å; F192-E195 HydrophobicContact CZ-CG 3.82Å; E195-R219 PolarHBondContact N-O 2.9Å; E195-R219 PolarHBondContact O-N 3.4Å |
| 196 | V | 96.6 | Very high | 89.8 | Confident | 12 Ų | 12 | 59.5 Ų | 59.5 | 7% | 0.073 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 129.8 | 171.4 | -174.2 | 0 | 0 | 0 | 0 | 107.1 | I95 F97 V179 L198 Y216 L218 | I95-V196 HydrophobicContact CG2-CG2 3.78Å; F97-V196 HydrophobicContact CZ-CG1 4.4Å; V179-V196 PolarHBondContact N-O 3.36Å; V179-V196 PolarHBondContact O-N 3.4Å; V196-L198 HydrophobicContact CG1-CD1 4.45Å; V196-L198 HydrophobicContact CG1-CD2 4.02Å; V196-L198 HydrophobicContact CG1-CG 3.98Å; V196-Y216 HydrophobicContact CG1-CD1 3.91Å; V196-Y216 HydrophobicContact CG1-CG 3.98Å; V196-L218 HydrophobicContact CG2-CD2 4.22Å |
| 197 | I | 95.2 | Very high | 89.2 | Confident | 49 Ų | 49 | 58.9 Ų | 58.9 | 25% | 0.251 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 121.2 | 174.9 | -59.8 | 177.3 | 0 | 0 | 0 | 108.3 | R176 L177 Q178 | R176-I197 HydrophobicContact CB-CG2 4.2Å; L177-I197 CarbonylContact O-C 3.57Å; L177-I197 WeakPolarHBondContact O-CA 3.4Å; Q178-I197 HydrophobicContact CB-CG1 4.27Å; Q178-I197 HydrophobicContact CG-CG1 4.04Å |
| 198 | L | 93.4 | Very high | 88.2 | Confident | 27 Ų | 27 | 54.5 Ų | 54.5 | 14% | 0.141 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.6 | 116.9 | -178.4 | -61.9 | 177 | 0 | 0 | 0 | 110.4 | F97 I99 R176 L177 V196 L200 W203 Y216 | F97-L198 HydrophobicContact CE2-CD1 3.86Å; F97-L198 HydrophobicContact CZ-CD1 3.64Å; I99-L198 HydrophobicContact CD1-CD1 3.85Å; R176-L198 CarbonylContact C-O 3.57Å; R176-L198 WeakPolarHBondContact CA-O 3.36Å; L177-L198 PolarHBondContact N-O 3.42Å; L177-L198 PolarHBondContact O-N 3.26Å; V196-L198 HydrophobicContact CG1-CD1 4.45Å; V196-L198 HydrophobicContact CG1-CD2 4.02Å; V196-L198 HydrophobicContact CG1-CG 3.98Å; L198-L200 PolarHBondContact O-N 3.37Å; L198-W203 HydrophobicContact CD1-CZ3 4.12Å; L198-Y216 HydrophobicContact CD1-CE1 3.96Å; L198-Y216 HydrophobicContact CD1-CE2 4.48Å; L198-Y216 HydrophobicContact CD2-CD1 4.26Å; L198-Y216 HydrophobicContact CD2-CE1 3.85Å |
| 199 | P | 93.1 | Very high | 87.3 | Confident | 50 Ų | 50 | 54.7 Ų | 54.7 | 33% | 0.325 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 123.4 | 167.2 | -18.3 | 31.7 | 0 | 0 | 0 | 110.6 | R176 A201 M202 | R176-P199 HydrophobicContact CG-CB 4.4Å; P199-A201 PolarHBondContact O-N 3.43Å; P199-M202 HydrophobicContact CB-CE 4.13Å; P199-M202 HydrophobicContact CG-CE 3.92Å |
| 200 | L | 91.8 | Very high | 86.1 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | G | 310 helix | trans | -78.2 | -12.9 | -178.1 | -63.9 | -177.8 | 0 | 0 | 0 | 112.7 | I99 L108 L136 L172 R175 L177 L198 M202 W203 F205 | I99-L200 HydrophobicContact CD1-CD2 4.46Å; L108-L200 HydrophobicContact CD2-CD1 3.65Å; L136-L200 HydrophobicContact CD1-CD1 3.51Å; L172-L200 HydrophobicContact CD2-CD1 4Å; L172-L200 VanDerWaalsContact O-CB 3.28Å; L172-L200 WeakPolarHBondContact O-CB 3.48Å; R175-L200 HydrophobicContact CB-CD1 4.17Å; R175-L200 PolarHBondContact O-N 3.41Å; L177-L200 HydrophobicContact CB-CD2 3.99Å; L177-L200 HydrophobicContact CB-CG 4.33Å; L198-L200 PolarHBondContact O-N 3.37Å; L200-M202 PolarHBondContact O-N 3.22Å; L200-W203 PolarHBondContact O-N 2.83Å; L200-W203 VanDerWaalsContact O-N 3.15Å; L200-F205 HydrophobicContact CD2-CZ 4.32Å |
| 201 | A | 87.5 | Confident | 84.9 | Confident | 55 Ų | 55 | 47 Ų | 47 | 46% | 0.455 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -57.8 | -29.6 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | M173 P199 | M173-A201 WeakPolarHBondContact O-CB 3.22Å; P199-A201 PolarHBondContact O-N 3.43Å |
| 202 | M | 81 | Confident | 84.5 | Confident | 153 Ų | 153 | 51.7 Ų | 51.7 | 75% | 0.754 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -97.5 | 1.4 | -178.2 | -57.1 | -173.6 | -58.2 | 0 | 0 | 112.4 | P199 L200 | P199-M202 HydrophobicContact CB-CE 4.13Å; P199-M202 HydrophobicContact CG-CE 3.92Å; L200-M202 PolarHBondContact O-N 3.22Å |
| 203 | W | 84.3 | Confident | 84.3 | Confident | 27 Ų | 27 | 53.1 Ų | 53.1 | 10% | 0.102 | 29% | 0.292 | C | S | . | . | trans | -89 | 118 | -175.9 | -161.2 | -88.6 | 0 | 0 | 0 | 110.5 | I99 L198 L200 F205 A210 Y216 | I99-W203 HydrophobicContact CB-CH2 4.43Å; I99-W203 HydrophobicContact CB-CZ2 3.68Å; I99-W203 HydrophobicContact CD1-CD2 4.04Å; I99-W203 HydrophobicContact CD1-CE3 3.99Å; I99-W203 HydrophobicContact CD1-CH2 3.75Å; I99-W203 HydrophobicContact CD1-CZ2 3.79Å; I99-W203 HydrophobicContact CD1-CZ3 3.86Å; I99-W203 HydrophobicContact CG1-CH2 4.09Å; I99-W203 HydrophobicContact CG1-CZ2 3.83Å; I99-W203 PolarHBondContact O-NE1 3.44Å; L198-W203 HydrophobicContact CD1-CZ3 4.12Å; L200-W203 PolarHBondContact O-N 2.83Å; L200-W203 VanDerWaalsContact O-N 3.15Å; W203-F205 HydrophobicContact CB-CE1 4.49Å; W203-F205 HydrophobicContact CB-CE2 3.94Å; W203-F205 HydrophobicContact CB-CZ 3.93Å; W203-F205 AromaticContact CD1-CD1 3.49Å; W203-F205 VanDerWaalsContact CD1-CD1 3.49Å; W203-F205 AromaticContact CD1-CE1 3.35Å; W203-F205 AromaticContact CD1-CG 3.92Å; W203-F205 AromaticContact CD1-CZ 3.67Å; W203-F205 HydrophobicContact CG-CE1 4.12Å; W203-F205 HydrophobicContact CG-CE2 4.37Å; W203-F205 HydrophobicContact CG-CZ 4.03Å; W203-F205 VanDerWaalsContact O-CD2 3.32Å; W203-F205 WeakPolarHBondContact O-CD2 3.16Å; W203-F205 PolarHBondContact O-N 2.67Å; W203-A210 WeakPolarHBondContact CZ2-O 3.21Å; W203-Y216 WeakPolarHBondContact CH2-OH 3.06Å; W203-Y216 WeakPolarHBondContact CZ3-OH 3.4Å | ||
| 204 | D | 82.5 | Confident | 84.2 | Confident | 87 Ų | 87 | 58.1 Ų | 58.1 | 47% | 0.465 | 31% | 0.311 | S | S | . | . | trans | -80.7 | 99.8 | 173.5 | -169.8 | -9.1 | 0 | 0 | 0 | 110.2 | K206 D207 A210 | D204-K206 PolarHBondContact O-N 2.68Å; D204-K206 WeakPolarHBondContact OD1-CA 3.15Å; D204-K206 WeakPolarHBondContact OD1-CB 3.19Å; D204-K206 PolarHBondContact OD1-N 3.03Å; D204-D207 HydrophobicContact CB-CB 4.1Å; D204-D207 PolarHBondContact OD1-N 3.08Å; D204-D207 WeakPolarHBondContact OD2-CB 3.13Å; D204-A210 VanDerWaalsContact O-CB 3.27Å; D204-A210 WeakPolarHBondContact O-CB 3.42Å | ||
| 205 | F | 82.5 | Confident | 84.2 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 14% | 0.136 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -74.7 | -12.5 | 176.6 | -64.2 | -77.3 | 0 | 0 | 0 | 113.6 | I99 Y101 L108 L172 L200 W203 Q211 | I99-F205 HydrophobicContact CG2-CE1 4.05Å; Y101-F205 VanDerWaalsContact CB-CD1 3.46Å; L108-F205 HydrophobicContact CD1-CE1 3.5Å; L108-F205 HydrophobicContact CD1-CZ 3.89Å; L172-F205 HydrophobicContact CB-CE2 4.24Å; L172-F205 HydrophobicContact CD1-CD2 4.11Å; L172-F205 HydrophobicContact CD1-CE2 3.73Å; L172-F205 HydrophobicContact CD1-CZ 3.99Å; L172-F205 HydrophobicContact CD2-CZ 4.4Å; L172-F205 HydrophobicContact CG-CE2 4.47Å; L200-F205 HydrophobicContact CD2-CZ 4.32Å; W203-F205 HydrophobicContact CB-CE1 4.49Å; W203-F205 HydrophobicContact CB-CE2 3.94Å; W203-F205 HydrophobicContact CB-CZ 3.93Å; W203-F205 AromaticContact CD1-CD1 3.49Å; W203-F205 VanDerWaalsContact CD1-CD1 3.49Å; W203-F205 AromaticContact CD1-CE1 3.35Å; W203-F205 AromaticContact CD1-CG 3.92Å; W203-F205 AromaticContact CD1-CZ 3.67Å; W203-F205 HydrophobicContact CG-CE1 4.12Å; W203-F205 HydrophobicContact CG-CE2 4.37Å; W203-F205 HydrophobicContact CG-CZ 4.03Å; W203-F205 VanDerWaalsContact O-CD2 3.32Å; W203-F205 WeakPolarHBondContact O-CD2 3.16Å; W203-F205 PolarHBondContact O-N 2.67Å; F205-Q211 PolarHBondContact O-NE2 3.2Å |
| 206 | K | 76.1 | Confident | 84.2 | Confident | 196 Ų | 196 | 63.2 Ų | 63.2 | 85% | 0.852 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -90.1 | -26.6 | 179.3 | -63.7 | -177.6 | 178.8 | -179.4 | 0 | 112.3 | D204 S208 | D204-K206 PolarHBondContact O-N 2.68Å; D204-K206 WeakPolarHBondContact OD1-CA 3.15Å; D204-K206 WeakPolarHBondContact OD1-CB 3.19Å; D204-K206 PolarHBondContact OD1-N 3.03Å; K206-S208 PolarHBondContact O-N 2.84Å |
| 207 | D | 74.3 | Confident | 84.3 | Confident | 56 Ų | 56 | 65.8 Ų | 65.8 | 30% | 0.299 | 35% | 0.346 | S | S | . | . | trans | -75 | 116 | 176.8 | -179.3 | 12.6 | 0 | 0 | 0 | 111.6 | D204 T209 A210 Q211 | D204-D207 HydrophobicContact CB-CB 4.1Å; D204-D207 PolarHBondContact OD1-N 3.08Å; D204-D207 WeakPolarHBondContact OD2-CB 3.13Å; D207-T209 PolarHBondContact O-N 2.79Å; D207-T209 PolarHBondContact OD1-N 2.92Å; D207-T209 PolarHBondContact OD1-OG1 3.45Å; D207-T209 PolarHBondContact OD2-OG1 2.96Å; D207-A210 HydrophobicContact CB-CB 4.02Å; D207-A210 WeakPolarHBondContact O-CB 3.42Å; D207-A210 PolarHBondContact O-N 3.21Å; D207-A210 VanDerWaalsContact O-N 3.17Å; D207-Q211 PolarHBondContact O-N 2.7Å | ||
| 208 | S | 66.7 | Low | 84.4 | Confident | 87 Ų | 87 | 64.1 Ų | 64.1 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.3 | -28.3 | 174.2 | 60.8 | 0 | 0 | 0 | 0 | 113.6 | K206 Q211 | K206-S208 PolarHBondContact O-N 2.84Å; S208-Q211 WeakPolarHBondContact O-CB 3.5Å; S208-Q211 PolarHBondContact O-N 2.79Å |
| 209 | T | 67.2 | Low | 84.5 | Confident | 71 Ų | 71 | 71.2 Ų | 71.2 | 44% | 0.436 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | -27.7 | 179.4 | 82.6 | 0 | 0 | 0 | 0 | 112.8 | D207 Q211 N212 R214 | D207-T209 PolarHBondContact O-N 2.79Å; D207-T209 PolarHBondContact OD1-N 2.92Å; D207-T209 PolarHBondContact OD1-OG1 3.45Å; D207-T209 PolarHBondContact OD2-OG1 2.96Å; T209-Q211 PolarHBondContact O-N 2.78Å; T209-N212 PolarHBondContact O-N 2.78Å; T209-R214 PolarHBondContact O-NH2 2.69Å |
| 210 | A | 63.4 | Low | 84.4 | Confident | 8 Ų | 8 | 72.1 Ų | 72.1 | 7% | 0.066 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -24.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | W203 D204 D207 | W203-A210 WeakPolarHBondContact CZ2-O 3.21Å; D204-A210 VanDerWaalsContact O-CB 3.27Å; D204-A210 WeakPolarHBondContact O-CB 3.42Å; D207-A210 HydrophobicContact CB-CB 4.02Å; D207-A210 WeakPolarHBondContact O-CB 3.42Å; D207-A210 PolarHBondContact O-N 3.21Å; D207-A210 VanDerWaalsContact O-N 3.17Å |
| 211 | Q | 69.2 | Low | 84 | Confident | 55 Ų | 55 | 77.3 Ų | 77.3 | 26% | 0.257 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -6.5 | 178.3 | -70.6 | -169.8 | 28.5 | 0 | 0 | 114.3 | A98 H100 F205 D207 S208 T209 | A98-Q211 WeakPolarHBondContact CB-O 3.08Å; H100-Q211 PolarHBondContact CE1-O 3.37Å; H100-Q211 WeakPolarHBondContact ND1-CB 3.39Å; H100-Q211 PolarHBondContact ND1-OE1 2.84Å; H100-Q211 PolarHBondContact NE2-O 2.74Å; F205-Q211 PolarHBondContact O-NE2 3.2Å; D207-Q211 PolarHBondContact O-N 2.7Å; S208-Q211 WeakPolarHBondContact O-CB 3.5Å; S208-Q211 PolarHBondContact O-N 2.79Å; T209-Q211 PolarHBondContact O-N 2.78Å |
| 212 | N | 84.2 | Confident | 82.9 | Confident | 101 Ų | 101 | 77.9 Ų | 77.9 | 54% | 0.54 | 40% | 0.402 | S | S | . | . | S | Bend | trans | -70.5 | 151.4 | 173.7 | -71.4 | -26.5 | 0 | 0 | 0 | 111.1 | T209 R214 | T209-N212 PolarHBondContact O-N 2.78Å; N212-R214 PolarHBondContact O-N 3.35Å |
| 213 | A | 91.7 | Very high | 81.5 | Confident | 36 Ų | 36 | 77.9 Ų | 77.9 | 30% | 0.298 | 40% | 0.4 | S | S | . | . | trans | -64.7 | 133.7 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110 | E96 F97 A98 K113 | E96-A213 HydrophobicContact CG-CB 3.92Å; F97-A213 WeakPolarHBondContact O-CA 3.37Å; A98-A213 HydrophobicContact CB-CB 4.18Å; K113-A213 HydrophobicContact CG-CB 3.93Å | ||
| 214 | R | 93.7 | Very high | 79.8 | Confident | 104 Ų | 104 | 85.3 Ų | 85.3 | 39% | 0.392 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.5 | -178.6 | -67 | 176.6 | -176.3 | -173.3 | -3.2 | 110.1 | E96 F97 T209 N212 Y216 | E96-R214 WeakPolarHBondContact CA-O 3.2Å; F97-R214 PolarHBondContact N-O 3.1Å; F97-R214 VanDerWaalsContact N-O 3.15Å; F97-R214 PolarHBondContact O-N 3.28Å; T209-R214 PolarHBondContact O-NH2 2.69Å; N212-R214 PolarHBondContact O-N 3.35Å; R214-Y216 HydrophobicContact CB-CE2 3.76Å; R214-Y216 VanDerWaalsContact O-CD2 3.27Å; R214-Y216 WeakPolarHBondContact O-CD2 3.46Å; R214-Y216 WeakPolarHBondContact O-CE2 3.46Å |
| 215 | W | 97.1 | Very high | 77.9 | Confident | 91 Ų | 91 | 90.3 Ų | 90.3 | 35% | 0.345 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 134.6 | 172 | -72 | 92.4 | 0 | 0 | 0 | 110.7 | E94 I95 E96 T114 K116 | E94-W215 HydrophobicContact CB-CE3 3.71Å; E94-W215 HydrophobicContact CB-CZ3 4.22Å; I95-W215 CarbonylContact O-C 3.57Å; I95-W215 WeakPolarHBondContact O-CA 3.47Å; E96-W215 HydrophobicContact CB-CD2 3.71Å; E96-W215 HydrophobicContact CB-CE3 3.79Å; E96-W215 HydrophobicContact CB-CG 4.35Å; E96-W215 HydrophobicContact CB-CH2 3.92Å; E96-W215 HydrophobicContact CB-CZ2 3.79Å; E96-W215 HydrophobicContact CB-CZ3 3.89Å; E96-W215 HydrophobicContact CG-CD2 4.21Å; E96-W215 HydrophobicContact CG-CG 4.43Å; E96-W215 HydrophobicContact CG-CZ2 4.35Å; E96-W215 PolarHBondContact OE1-NE1 3.36Å; T114-W215 HydrophobicContact CG2-CH2 3.48Å; T114-W215 VanDerWaalsContact CG2-CH2 3.48Å; T114-W215 HydrophobicContact CG2-CZ2 3.74Å; T114-W215 HydrophobicContact CG2-CZ3 4.44Å; K116-W215 HydrophobicContact CB-CH2 4.14Å; K116-W215 HydrophobicContact CB-CZ3 4.21Å; K116-W215 HydrophobicContact CD-CE3 4.19Å; K116-W215 HydrophobicContact CD-CH2 3.71Å; K116-W215 HydrophobicContact CD-CZ2 4.2Å; K116-W215 HydrophobicContact CD-CZ3 3.74Å; K116-W215 HydrophobicContact CG-CE3 4.31Å; K116-W215 HydrophobicContact CG-CH2 3.86Å; K116-W215 HydrophobicContact CG-CZ3 3.6Å |
| 216 | Y | 97.2 | Very high | 76 | Confident | 31 Ų | 31 | 91.4 Ų | 91.4 | 12% | 0.122 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 128.8 | 175 | -65.3 | -87.7 | 0 | 0 | 0 | 109.8 | E94 I95 F97 V196 L198 W203 R214 L218 | E94-Y216 CarbonylContact C-O 3.35Å; E94-Y216 VanDerWaalsContact CA-O 3.27Å; E94-Y216 WeakPolarHBondContact CA-O 3.5Å; E94-Y216 WeakPolarHBondContact CB-O 3.35Å; I95-Y216 PolarHBondContact N-O 2.64Å; I95-Y216 PolarHBondContact O-N 3.23Å; F97-Y216 AromaticContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CD2 3.76Å; F97-Y216 HydrophobicContact CD1-CE2 4.17Å; F97-Y216 AromaticContact CE1-CD2 3.2Å; F97-Y216 HydrophobicContact CE1-CD2 3.2Å; F97-Y216 AromaticContact CE1-CE2 3.7Å; F97-Y216 HydrophobicContact CE1-CE2 3.7Å; F97-Y216 AromaticContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE1-CG 3.88Å; F97-Y216 HydrophobicContact CE2-CD2 4.42Å; F97-Y216 HydrophobicContact CE2-CE2 4.09Å; F97-Y216 AromaticContact CZ-CD2 3.6Å; F97-Y216 HydrophobicContact CZ-CD2 3.6Å; F97-Y216 AromaticContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CE2 3.65Å; F97-Y216 HydrophobicContact CZ-CG 4.23Å; V196-Y216 HydrophobicContact CG1-CD1 3.91Å; V196-Y216 HydrophobicContact CG1-CG 3.98Å; L198-Y216 HydrophobicContact CD1-CE1 3.96Å; L198-Y216 HydrophobicContact CD1-CE2 4.48Å; L198-Y216 HydrophobicContact CD2-CD1 4.26Å; L198-Y216 HydrophobicContact CD2-CE1 3.85Å; W203-Y216 WeakPolarHBondContact CH2-OH 3.06Å; W203-Y216 WeakPolarHBondContact CZ3-OH 3.4Å; R214-Y216 HydrophobicContact CB-CE2 3.76Å; R214-Y216 VanDerWaalsContact O-CD2 3.27Å; R214-Y216 WeakPolarHBondContact O-CD2 3.46Å; R214-Y216 WeakPolarHBondContact O-CE2 3.46Å; Y216-L218 PolarHBondContact O-N 3.37Å |
| 217 | P | 97.6 | Very high | 74.4 | Confident | 66 Ų | 66 | 90.5 Ų | 90.5 | 43% | 0.429 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 133.4 | 174.9 | 28.3 | -34 | 0 | 0 | 0 | 110.4 | ||
| 218 | L | 97.8 | Very high | 72.7 | Confident | 14 Ų | 14 | 93.8 Ų | 93.8 | 7% | 0.073 | 47% | 0.469 | C | S | . | . | trans | -73.5 | 135.9 | 176.7 | -68 | 172.5 | 0 | 0 | 0 | 110.1 | V91 G93 I95 L118 V181 V196 Y216 | V91-L218 HydrophobicContact CG1-CB 3.89Å; G93-L218 WeakPolarHBondContact O-CB 3.32Å; G93-L218 PolarHBondContact O-N 2.86Å; I95-L218 HydrophobicContact CB-CD2 4.22Å; I95-L218 HydrophobicContact CG2-CD2 3.77Å; I95-L218 HydrophobicContact CG2-CG 4.47Å; L118-L218 HydrophobicContact CD2-CD1 3.32Å; V181-L218 HydrophobicContact CB-CD1 4.36Å; V181-L218 HydrophobicContact CB-CD2 4.48Å; V181-L218 HydrophobicContact CG2-CD1 3.97Å; V181-L218 HydrophobicContact CG2-CD2 3.65Å; V181-L218 HydrophobicContact CG2-CG 4.49Å; V196-L218 HydrophobicContact CG2-CD2 4.22Å; Y216-L218 PolarHBondContact O-N 3.37Å | ||
| 219 | R | 95 | Very high | 71.8 | Confident | 177 Ų | 177 | 93.7 Ų | 93.7 | 67% | 0.668 | 46% | 0.46 | S | S | * | . | B | Isolated β-bridge | trans | -116.6 | 148.2 | 179.4 | -61.9 | -176.5 | -179 | 179 | -0.5 | 111.2 | G194 E195 | G194-R219 CarbonylContact C-O 3.55Å; G194-R219 VanDerWaalsContact CA-O 3.24Å; G194-R219 WeakPolarHBondContact CA-O 3.28Å; E195-R219 PolarHBondContact N-O 2.9Å; E195-R219 PolarHBondContact O-N 3.4Å |
| 220 | A | 91.4 | Very high | 71 | Confident | 69 Ų | 69 | 94 Ų | 94 | 57% | 0.57 | 46% | 0.464 | S | S | * | . | trans | -61.1 | 149.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | V91 A222 | V91-A220 HydrophobicContact CB-CB 4.43Å; V91-A220 HydrophobicContact CG2-CB 4.15Å; A220-A222 PolarHBondContact O-N 2.89Å | ||
| 221 | K | 82.8 | Confident | 70.8 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 47% | 0.474 | 48% | 0.48 | S | S | . | . | trans | -62.9 | 123.2 | 176.3 | -167.6 | 175.5 | -174.3 | -176.5 | 0 | 108 | F192 E223 | F192-K221 HydrophobicContact CE1-CB 4.03Å; F192-K221 HydrophobicContact CZ-CB 4.16Å; K221-E223 PolarHBondContact O-N 3.44Å | ||
| 222 | A | 65.6 | Low | 70.9 | Confident | 67 Ų | 67 | 98.1 Ų | 98.1 | 55% | 0.554 | 48% | 0.483 | S | S | * | . | trans | -62.4 | 112 | 175.3 | 0 | 0 | 0 | 0 | 0 | 108.4 | A220 K224 | A220-A222 PolarHBondContact O-N 2.89Å; A222-K224 PolarHBondContact O-N 3.01Å | ||
| 223 | E | 51.6 | Low | 70.8 | Confident | 153 Ų | 153 | 94 Ų | 94 | 72% | 0.715 | 46% | 0.461 | S | S | * | . | S | Bend | trans | -61.6 | 120.5 | 175.4 | -66.6 | -174.6 | 168.9 | 0 | 0 | 108.9 | K221 Y225 | K221-E223 PolarHBondContact O-N 3.44Å; E223-Y225 PolarHBondContact O-N 3.14Å; E223-Y225 VanDerWaalsContact O-N 3.14Å |
| 224 | K | 48.1 | Very low | 70.5 | Confident | 182 Ų | 182 | 92.2 Ų | 92.2 | 79% | 0.791 | 45% | 0.447 | S | S | * | . | S | Bend | trans | 70.4 | 0.3 | 157.7 | -58.4 | 179 | 179.6 | 176.9 | 0 | 120.2 | A222 | A222-K224 PolarHBondContact O-N 3.01Š|
| 225 | Y | 42.3 | Very low | 70.3 | Confident | 193 Ų | 193 | 89.4 Ų | 89.4 | 76% | 0.757 | 44% | 0.438 | S | S | * | . | trans | -91.1 | -19.2 | -179.9 | -87.6 | -89.2 | 0 | 0 | 0 | 116.2 | E223 | E223-Y225 PolarHBondContact O-N 3.14Å; E223-Y225 VanDerWaalsContact O-N 3.14Å | ||
| 226 | E | 43.7 | Very low | 70.2 | Confident | 53 Ų | 53 | 85.1 Ų | 85.1 | 25% | 0.248 | 42% | 0.422 | C | S | . | . | G | 310 helix | trans | -83.2 | -8.6 | -175.3 | -73.6 | -138.3 | 160.3 | 0 | 0 | 115.9 | R140 R176 N228 | R140-E226 IonicContact NH2-OE2 2.69Å; R176-E226 IonicContact CZ-OE1 2.68Å; R176-E226 IonicContact CZ-OE2 2.95Å; R176-E226 VanDerWaalsContact NH1-CD 3.31Å; R176-E226 IonicContact NH1-OE1 3.64Å; R176-E226 PolarHBondContact NH1-OE1 3.08Å; R176-E226 IonicContact NH1-OE2 2.79Å; R176-E226 PolarHBondContact NH1-OE2 3.01Å; R176-E226 IonicContact NH2-OE1 2.69Å; R176-E226 IonicContact NH2-OE2 3.91Å; R176-E226 PolarHBondContact NH2-OE2 3.19Å; E226-N228 PolarHBondContact O-N 2.97Å |
| 227 | E | 41.5 | Very low | 70.1 | Confident | 177 Ų | 177 | 84.9 Ų | 84.9 | 83% | 0.827 | 43% | 0.427 | S | S | * | . | G | 310 helix | trans | -72.4 | -12.8 | 173.9 | -73.1 | -178.2 | 178.4 | 0 | 0 | 112.6 | ||
| 228 | N | 39.2 | Very low | 70 | Confident | 126 Ų | 126 | 81.8 Ų | 81.8 | 67% | 0.674 | 41% | 0.407 | S | S | * | . | G | 310 helix | trans | -101.3 | 1.9 | -178.3 | -68.9 | -49.4 | 0 | 0 | 0 | 114.7 | E226 P230 | E226-N228 PolarHBondContact O-N 2.97Å; N228-P230 WeakPolarHBondContact O-CD 3.38Å |
| 229 | I | 48 | Very low | 69.9 | Low | 85 Ų | 85 | 85.4 Ų | 85.4 | 44% | 0.436 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -80.2 | 119.2 | 168.9 | -55.9 | 175.3 | 0 | 0 | 0 | 106.3 | Q231 | I229-Q231 PolarHBondContact O-N 2.85Š|
| 230 | P | 49.8 | Very low | 69.9 | Low | 77 Ų | 77 | 77 Ų | 77 | 50% | 0.5 | 39% | 0.388 | S | S | . | . | trans | -56.4 | 106.4 | 176.7 | 20 | -28.9 | 0 | 0 | 0 | 108.4 | N228 N232 | N228-P230 WeakPolarHBondContact O-CD 3.38Å; P230-N232 PolarHBondContact O-N 2.99Å | ||
| 231 | Q | 59.1 | Low | 70 | Confident | 89 Ų | 89 | 76 Ų | 76 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | trans | -62.7 | 122.5 | 176.5 | -69.3 | -180 | -11.4 | 0 | 0 | 106 | I229 H393 | I229-Q231 PolarHBondContact O-N 2.85Å; Q231-H393 WeakPolarHBondContact O-CA 3.45Å; Q231-H393 PolarHBondContact O-ND1 2.83Å | ||
| 232 | N | 71.3 | Confident | 70.5 | Confident | 60 Ų | 60 | 70.9 Ų | 70.9 | 32% | 0.321 | 35% | 0.348 | S | S | . | . | trans | -96.5 | 98.4 | 170.2 | -176.5 | -13 | 0 | 0 | 0 | 106.8 | P230 G234 V391 | P230-N232 PolarHBondContact O-N 2.99Å; N232-G234 PolarHBondContact O-N 3.19Å; N232-G234 PolarHBondContact OD1-N 2.81Å; N232-G234 PolarHBondContact OD1-O 2.91Å; N232-V391 HydrophobicContact CB-CG1 4.43Å | ||
| 233 | N | 81.6 | Confident | 71.7 | Confident | 14 Ų | 14 | 69.5 Ų | 69.5 | 8% | 0.075 | 33% | 0.333 | C | S | . | . | trans | -88.5 | 12.6 | -179.7 | -73.7 | -23.5 | 0 | 0 | 0 | 112.6 | P138 P276 L350 L392 H393 | P138-N233 WeakPolarHBondContact CG-OD1 3.41Å; N233-P276 WeakPolarHBondContact O-CD 3.07Å; N233-L350 WeakPolarHBondContact CB-O 3.5Å; N233-L392 HydrophobicContact CB-CB 4.14Å; N233-L392 PolarHBondContact N-O 3.19Å; N233-H393 PolarHBondContact ND2-O 3.1Å; N233-H393 VanDerWaalsContact ND2-O 3.09Å; N233-H393 PolarHBondContact ND2-OXT 3.44Å | ||
| 234 | G | 85.8 | Confident | 73.3 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | 117.2 | -172.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | N232 K273 L392 | N232-G234 PolarHBondContact O-N 3.19Å; N232-G234 PolarHBondContact OD1-N 2.81Å; N232-G234 PolarHBondContact OD1-O 2.91Å; G234-K273 CarbonylContact C-O 3.54Å; G234-K273 VanDerWaalsContact CA-O 3.31Å; G234-K273 WeakPolarHBondContact CA-O 3.2Å; G234-L392 WeakPolarHBondContact O-CB 3.27Å; G234-L392 PolarHBondContact O-N 3.46Å | ||
| 235 | E | 90.4 | Very high | 74.9 | Confident | 45 Ų | 45 | 58.6 Ų | 58.6 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.2 | -178.7 | -63.1 | 167.3 | -155.5 | 0 | 0 | 110.3 | A272 K273 T389 L390 | E235-A272 CarbonylContact O-C 3.57Å; E235-A272 WeakPolarHBondContact O-CA 3.35Å; E235-A272 WeakPolarHBondContact O-CB 3.32Å; E235-K273 HydrophobicContact CB-CG 4.05Å; E235-K273 PolarHBondContact N-O 3.26Å; E235-K273 PolarHBondContact O-N 3.24Å; E235-K273 WeakPolarHBondContact OE2-CE 3.41Å; E235-K273 IonicContact OE2-NZ 2.65Å; E235-K273 PolarHBondContact OE2-NZ 2.86Å; E235-T389 HydrophobicContact CB-CG2 3.89Å; E235-T389 HydrophobicContact CG-CG2 4.23Å; E235-L390 CarbonylContact C-O 3.59Å; E235-L390 VanDerWaalsContact CA-O 3.29Å; E235-L390 WeakPolarHBondContact CA-O 3.34Å |
| 236 | L | 94.1 | Very high | 76 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 118.1 | 175 | -173.8 | 69.6 | 0 | 0 | 0 | 109.5 | V238 V269 A272 V287 W314 L335 V337 L390 L392 | L236-V238 HydrophobicContact CD2-CG1 3.95Å; L236-V238 HydrophobicContact CG-CG1 3.86Å; L236-V269 HydrophobicContact CD1-CG1 3.94Å; L236-A272 HydrophobicContact CD1-CB 3.96Å; L236-V287 HydrophobicContact CD1-CG2 4.36Å; L236-W314 HydrophobicContact CD1-CZ3 3.92Å; L236-L335 HydrophobicContact CD2-CB 3.99Å; L236-L335 HydrophobicContact CD2-CD1 3.95Å; L236-V337 HydrophobicContact CD1-CG2 4.04Å; L236-V337 HydrophobicContact CD2-CG2 4.28Å; L236-L390 HydrophobicContact CB-CB 4.43Å; L236-L390 PolarHBondContact N-O 2.64Å; L236-L390 PolarHBondContact O-N 3.04Å; L236-L392 HydrophobicContact CB-CD1 4.27Å; L236-L392 HydrophobicContact CB-CD2 4.01Å; L236-L392 HydrophobicContact CB-CG 4.16Å; L236-L392 HydrophobicContact CD2-CD2 4.47Å |
| 237 | A | 94.7 | Very high | 76.8 | Confident | 27 Ų | 27 | 53.4 Ų | 53.4 | 22% | 0.223 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 124.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110 | L270 G271 | A237-L270 HydrophobicContact CB-CB 4.18Å; A237-L270 HydrophobicContact CB-CD1 4.38Å; A237-L270 WeakPolarHBondContact O-CB 3.08Å; A237-L270 PolarHBondContact O-N 3.42Å; A237-G271 PolarHBondContact N-O 2.71Å |
| 238 | V | 95.9 | Very high | 77.3 | Confident | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 157.7 | -179.5 | -55.8 | 0 | 0 | 0 | 0 | 111.4 | L236 L267 V268 L335 M388 L390 | L236-V238 HydrophobicContact CD2-CG1 3.95Å; L236-V238 HydrophobicContact CG-CG1 3.86Å; V238-L267 HydrophobicContact CB-CD1 4.03Å; V238-L267 HydrophobicContact CG2-CD1 4.25Å; V238-V268 CarbonylContact C-O 3.44Å; V238-V268 VanDerWaalsContact CA-O 3.3Å; V238-V268 WeakPolarHBondContact CA-O 3.42Å; V238-L335 HydrophobicContact CG1-CD1 3.99Å; V238-M388 HydrophobicContact CG2-CB 3.96Å; V238-M388 HydrophobicContact CG2-CE 3.77Å; V238-M388 PolarHBondContact N-O 2.66Å; V238-M388 PolarHBondContact O-N 3Å; V238-L390 HydrophobicContact CG1-CD1 4.34Å; V238-L390 HydrophobicContact CG2-CD1 3.87Å; V238-L390 HydrophobicContact CG2-CG 4.11Å |
| 239 | R | 95.3 | Very high | 77.7 | Confident | 89 Ų | 89 | 56.2 Ų | 56.2 | 34% | 0.336 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.2 | 172.4 | 169.2 | -176.9 | -65.9 | 175.3 | -0.1 | 108.9 | L267 V268 L270 W385 T386 D387 | R239-L267 CarbonylContact O-C 3.54Å; R239-L267 WeakPolarHBondContact O-CA 3Å; R239-V268 HydrophobicContact CB-CB 4.36Å; R239-V268 PolarHBondContact N-O 3.21Å; R239-V268 PolarHBondContact O-N 3.43Å; R239-L270 HydrophobicContact CB-CD1 4.49Å; R239-W385 HydrophobicContact CG-CB 4.01Å; R239-W385 HydrophobicContact CG-CD2 3.89Å; R239-W385 HydrophobicContact CG-CE3 3.32Å; R239-W385 HydrophobicContact CG-CG 4.23Å; R239-W385 HydrophobicContact CG-CZ3 3.96Å; R239-T386 CarbonylContact C-O 3.59Å; R239-T386 VanDerWaalsContact CA-O 3.32Å; R239-T386 WeakPolarHBondContact CA-O 3.38Å; R239-D387 WeakPolarHBondContact CB-OD1 3.42Å; R239-D387 WeakPolarHBondContact CD-OD1 3.15Å; R239-D387 WeakPolarHBondContact CG-OD1 3.43Å; R239-D387 IonicContact CZ-OD1 3.43Å; R239-D387 IonicContact CZ-OD2 3.64Å; R239-D387 IonicContact NE-OD1 2.64Å; R239-D387 PolarHBondContact NE-OD1 2.75Å; R239-D387 IonicContact NE-OD2 3.61Å; R239-D387 IonicContact NH2-OD1 3.38Å; R239-D387 PolarHBondContact NH2-OD1 2.75Å; R239-D387 IonicContact NH2-OD2 2.8Å; R239-D387 PolarHBondContact NH2-OD2 3.21Å |
| 240 | A | 95.2 | Very high | 77.4 | Confident | 2 Ų | 2 | 60.1 Ų | 60.1 | 2% | 0.017 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 149.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | C266 L267 V378 T386 M388 | A240-C266 CarbonylContact C-O 3.52Å; A240-C266 VanDerWaalsContact CA-O 3.31Å; A240-C266 WeakPolarHBondContact CA-O 3.47Å; A240-L267 HydrophobicContact CB-CD1 3.86Å; A240-V378 HydrophobicContact CB-CG1 3.84Å; A240-V378 HydrophobicContact CB-CG2 3.75Å; A240-T386 PolarHBondContact N-O 2.77Å; A240-T386 PolarHBondContact O-N 2.8Å; A240-M388 HydrophobicContact CB-CE 3.67Å |
| 241 | K | 93.8 | Very high | 76.9 | Confident | 48 Ų | 48 | 62.7 Ų | 62.7 | 21% | 0.209 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 128.3 | 177.2 | 171.4 | 173.3 | 175.8 | 161.4 | 0 | 109.9 | V243 C266 N383 W385 | K241-V243 HydrophobicContact CD-CG2 4.3Å; K241-V243 HydrophobicContact CG-CG2 4.08Å; K241-C266 HydrophobicContact CB-CB 4.47Å; K241-C266 PolarHBondContact N-O 3.17Å; K241-C266 PolarHBondContact O-N 3.24Å; K241-N383 VanDerWaalsContact CE-C 3.44Å; K241-N383 WeakPolarHBondContact CE-O 3.11Å; K241-N383 PolarHBondContact NZ-O 3.45Å; K241-W385 HydrophobicContact CB-CD2 3.68Å; K241-W385 HydrophobicContact CB-CE3 3.27Å; K241-W385 HydrophobicContact CB-CG 4.38Å; K241-W385 HydrophobicContact CB-CH2 4.21Å; K241-W385 HydrophobicContact CB-CZ2 4.49Å; K241-W385 HydrophobicContact CB-CZ3 3.59Å; K241-W385 HydrophobicContact CD-CD2 3.81Å; K241-W385 HydrophobicContact CD-CE3 4.26Å; K241-W385 HydrophobicContact CD-CG 4.17Å; K241-W385 HydrophobicContact CD-CZ2 4.13Å; K241-W385 HydrophobicContact CG-CD2 4.38Å; K241-W385 HydrophobicContact CG-CE3 4.39Å |
| 242 | L | 92.6 | Very high | 75.8 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 113.8 | 167.7 | 176.8 | 56.8 | 0 | 0 | 0 | 109 | L244 L328 L379 N383 | L242-L244 HydrophobicContact CD1-CD2 4.17Å; L242-L244 HydrophobicContact CD2-CD2 4.3Å; L242-L244 HydrophobicContact CD2-CG 4.43Å; L242-L244 HydrophobicContact CG-CD2 4.11Å; L242-L244 HydrophobicContact CG-CG 4.16Å; L242-L328 HydrophobicContact CD1-CD1 3.45Å; L242-L328 VanDerWaalsContact CD1-CD1 3.45Å; L242-L328 HydrophobicContact CD2-CD1 4.13Å; L242-L328 HydrophobicContact CG-CD1 4.37Å; L242-L379 HydrophobicContact CD2-CD2 4.02Å; L242-N383 PolarHBondContact O-N 3.27Å |
| 243 | V | 91.4 | Very high | 74.2 | Confident | 38 Ų | 38 | 73.4 Ų | 73.4 | 23% | 0.23 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.3 | 174.7 | -173 | 0 | 0 | 0 | 0 | 108.3 | K241 G263 Q264 N383 | K241-V243 HydrophobicContact CD-CG2 4.3Å; K241-V243 HydrophobicContact CG-CG2 4.08Å; V243-G263 CarbonylContact O-C 3.45Å; V243-G263 WeakPolarHBondContact O-CA 3.42Å; V243-Q264 HydrophobicContact CB-CB 4.24Å; V243-Q264 PolarHBondContact N-O 2.86Å; V243-Q264 PolarHBondContact O-N 3.21Å; V243-N383 WeakPolarHBondContact CA-OD1 3.3Å |
| 244 | L | 86.7 | Confident | 72.1 | Confident | 43 Ų | 43 | 77.6 Ų | 77.6 | 23% | 0.225 | 43% | 0.425 | C | S | . | . | trans | -108.6 | 134.6 | 171.8 | -62.7 | 176.4 | 0 | 0 | 0 | 108.5 | L242 A246 S325 P382 N383 | L242-L244 HydrophobicContact CD1-CD2 4.17Å; L242-L244 HydrophobicContact CD2-CD2 4.3Å; L242-L244 HydrophobicContact CD2-CG 4.43Å; L242-L244 HydrophobicContact CG-CD2 4.11Å; L242-L244 HydrophobicContact CG-CG 4.16Å; L244-A246 PolarHBondContact O-N 2.94Å; L244-S325 WeakPolarHBondContact CD2-OG 3.43Å; L244-P382 HydrophobicContact CD1-CB 3.81Å; L244-P382 HydrophobicContact CD1-CG 4.43Å; L244-P382 HydrophobicContact CG-CB 4.25Å; L244-N383 PolarHBondContact N-OD1 2.74Å | ||
| 245 | P | 80.1 | Confident | 69.7 | Low | 63 Ų | 63 | 86.6 Ų | 86.6 | 41% | 0.409 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -58.1 | 129.9 | 174.7 | 23.2 | -30.6 | 0 | 0 | 0 | 109 | G247 L261 N262 | P245-G247 PolarHBondContact O-N 3.11Å; P245-L261 HydrophobicContact CG-CB 4.36Å; P245-L261 HydrophobicContact CG-CD2 3.95Å; P245-N262 WeakPolarHBondContact CD-O 3.46Å |
| 246 | A | 65.9 | Low | 66.8 | Low | 94 Ų | 94 | 94.2 Ų | 94.2 | 78% | 0.777 | 50% | 0.503 | S | S | * | . | P | Polyproline II helix | trans | -60.3 | 122.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 107.7 | L244 | L244-A246 PolarHBondContact O-N 2.94Š|
| 247 | G | 61.4 | Low | 63.9 | Low | 43 Ų | 43 | 96.7 Ų | 96.7 | 44% | 0.443 | 53% | 0.529 | S | S | . | . | P | Polyproline II helix | trans | -54 | 156.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | P245 R249 | P245-G247 PolarHBondContact O-N 3.11Å; G247-R249 PolarHBondContact O-N 3.47Å |
| 248 | P | 50.7 | Low | 61 | Low | 117 Ų | 117 | 105 Ų | 105 | 76% | 0.76 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 124.7 | 179.1 | 22.9 | -30.7 | 0 | 0 | 0 | 109.8 | K250 | P248-K250 PolarHBondContact O-N 2.79Š|
| 249 | R | 47.8 | Very low | 58.3 | Low | 246 Ų | 246 | 112.7 Ų | 112.7 | 93% | 0.928 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -70.2 | 16.3 | 177.9 | -71.2 | -179.5 | 174.7 | 158.8 | -2.5 | 113.7 | G247 | G247-R249 PolarHBondContact O-N 3.47Š|
| 250 | K | 42.1 | Very low | 56.3 | Low | 166 Ų | 166 | 111.1 Ų | 111.1 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | S | Bend | trans | -139.7 | 120.9 | 177.4 | -73 | -173.1 | 177.4 | -177.6 | 0 | 110 | P248 Q252 | P248-K250 PolarHBondContact O-N 2.79Å; K250-Q252 PolarHBondContact O-N 3.01Å; K250-Q252 VanDerWaalsContact O-N 3.15Å |
| 251 | P | 38.4 | Very low | 54.7 | Low | 131 Ų | 131 | 116 Ų | 116 | 85% | 0.851 | 64% | 0.635 | S | S | * | * | trans | -82.7 | 83.1 | 172.4 | 32.3 | -28.5 | 0 | 0 | 0 | 108.3 | ||||
| 252 | Q | 37.4 | Very low | 54 | Low | 176 Ų | 176 | 118.7 Ų | 118.7 | 82% | 0.822 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -154.6 | 121.7 | 168.3 | -105.4 | 158.2 | 30.9 | 0 | 0 | 107.2 | K250 | K250-Q252 PolarHBondContact O-N 3.01Å; K250-Q252 VanDerWaalsContact O-N 3.15Å |
| 253 | E | 36.7 | Very low | 53.7 | Low | 199 Ų | 199 | 118.8 Ų | 118.8 | 93% | 0.93 | 65% | 0.652 | S | S | * | * | trans | 75.2 | 53.8 | 178.8 | -55.7 | -179.2 | 172.8 | 0 | 0 | 116.8 | ||||
| 254 | A | 37.1 | Very low | 53.7 | Low | 101 Ų | 101 | 120.9 Ų | 120.9 | 84% | 0.835 | 66% | 0.659 | S | S | * | * | trans | -92.8 | 92.7 | 154.5 | 0 | 0 | 0 | 0 | 0 | 108.4 | E256 | A254-E256 PolarHBondContact O-N 3.09Š| ||
| 255 | Q | 35.7 | Very low | 54.1 | Low | 190 Ų | 190 | 118.9 Ų | 118.9 | 89% | 0.888 | 65% | 0.649 | S | S | * | * | trans | -59.4 | 126.3 | 165.2 | -138.2 | 167.7 | 46.7 | 0 | 0 | 107.8 | G257 | Q255-G257 PolarHBondContact O-N 3.01Š| ||
| 256 | E | 29.8 | Very low | 54.8 | Low | 204 Ų | 204 | 117 Ų | 117 | 95% | 0.953 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -55.3 | 101.4 | 179.4 | -73.1 | 177.4 | 135.7 | 0 | 0 | 110.7 | A254 | A254-E256 PolarHBondContact O-N 3.09Š|
| 257 | G | 32.8 | Very low | 56.2 | Low | 52 Ų | 52 | 112.5 Ų | 112.5 | 54% | 0.536 | 60% | 0.6 | S | S | . | * | S | Bend | trans | -176.7 | 87.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | Q255 L259 | Q255-G257 PolarHBondContact O-N 3.01Å; G257-L259 VanDerWaalsContact C-N 3.31Å; G257-L259 PolarHBondContact O-N 2.92Å |
| 258 | Q | 34.2 | Very low | 57.9 | Low | 202 Ų | 202 | 111.5 Ų | 111.5 | 94% | 0.944 | 59% | 0.585 | S | S | * | * | trans | -10.6 | 71 | 169.1 | -68.6 | 170 | -17.2 | 0 | 0 | 116.6 | A260 | Q258-A260 VanDerWaalsContact C-N 3.31Å; Q258-A260 PolarHBondContact O-N 2.85Å | ||
| 259 | L | 40.3 | Very low | 60 | Low | 162 Ų | 162 | 105.9 Ų | 105.9 | 85% | 0.848 | 55% | 0.549 | S | S | * | . | trans | -79.4 | 88.2 | 168.9 | -80.2 | 160.6 | 0 | 0 | 0 | 106.7 | G257 L261 | G257-L259 VanDerWaalsContact C-N 3.31Å; G257-L259 PolarHBondContact O-N 2.92Å; L259-L261 PolarHBondContact O-N 3.5Å | ||
| 260 | A | 52.9 | Low | 62.3 | Low | 57 Ų | 57 | 97 Ų | 97 | 47% | 0.471 | 52% | 0.519 | S | S | . | . | trans | -50 | 110.4 | 168 | 0 | 0 | 0 | 0 | 0 | 107.7 | Q258 N262 | Q258-A260 VanDerWaalsContact C-N 3.31Å; Q258-A260 PolarHBondContact O-N 2.85Å; A260-N262 PolarHBondContact O-N 3.26Å; A260-N262 PolarHBondContact O-OD1 3.15Å | ||
| 261 | L | 61.4 | Low | 64.8 | Low | 105 Ų | 105 | 89.5 Ų | 89.5 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | trans | -57.2 | 101.8 | -179.5 | -75.6 | 155.1 | 0 | 0 | 0 | 108.2 | P245 L259 G263 | P245-L261 HydrophobicContact CG-CB 4.36Å; P245-L261 HydrophobicContact CG-CD2 3.95Å; L259-L261 PolarHBondContact O-N 3.5Å; L261-G263 PolarHBondContact O-N 3.04Å | ||
| 262 | N | 78.8 | Confident | 67.4 | Low | 104 Ų | 104 | 83.6 Ų | 83.6 | 56% | 0.556 | 45% | 0.451 | S | S | * | . | trans | -68.5 | 113.4 | 179.8 | -75.2 | -22.4 | 0 | 0 | 0 | 108.3 | P245 A260 | P245-N262 WeakPolarHBondContact CD-O 3.46Å; A260-N262 PolarHBondContact O-N 3.26Å; A260-N262 PolarHBondContact O-OD1 3.15Å | ||
| 263 | G | 86.7 | Confident | 69.8 | Low | 1 Ų | 1 | 79.9 Ų | 79.9 | 1% | 0.01 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97 | -175 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | V243 L261 G322 V323 | V243-G263 CarbonylContact O-C 3.45Å; V243-G263 WeakPolarHBondContact O-CA 3.42Å; L261-G263 PolarHBondContact O-N 3.04Å; G263-G322 PolarHBondContact O-N 3.08Å; G263-V323 CarbonylContact C-O 3.56Å; G263-V323 VanDerWaalsContact CA-O 3.27Å; G263-V323 WeakPolarHBondContact CA-O 3.2Å; G263-V323 PolarHBondContact N-O 3.2Å; G263-V323 PolarHBondContact O-N 3.06Å; G263-V323 VanDerWaalsContact O-N 3.14Å |
| 264 | Q | 91.8 | Very high | 72.1 | Confident | 83 Ų | 83 | 72.3 Ų | 72.3 | 39% | 0.388 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.4 | 130.7 | 172.2 | -56 | 175.6 | -59.4 | 0 | 0 | 109.4 | V243 V319 F320 N321 | V243-Q264 HydrophobicContact CB-CB 4.24Å; V243-Q264 PolarHBondContact N-O 2.86Å; V243-Q264 PolarHBondContact O-N 3.21Å; Q264-V319 HydrophobicContact CB-CG1 4.3Å; Q264-F320 WeakPolarHBondContact CA-O 3.27Å; Q264-N321 PolarHBondContact NE2-OD1 3.21Å |
| 265 | L | 93.5 | Very high | 74.5 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 110.6 | 168.2 | 177.9 | 69.3 | 0 | 0 | 0 | 108.7 | L291 F320 V323 L328 W375 V378 | L265-L291 HydrophobicContact CD2-CD2 4.32Å; L265-F320 HydrophobicContact CB-CB 4.26Å; L265-F320 HydrophobicContact CB-CD2 4.32Å; L265-F320 HydrophobicContact CD2-CD2 4Å; L265-F320 HydrophobicContact CG-CD2 4.29Å; L265-F320 PolarHBondContact N-O 3.33Å; L265-F320 PolarHBondContact O-N 3.38Å; L265-V323 HydrophobicContact CB-CG2 4.06Å; L265-L328 HydrophobicContact CB-CD1 4.47Å; L265-L328 HydrophobicContact CD2-CD2 4.13Å; L265-W375 HydrophobicContact CD2-CH2 3.66Å; L265-W375 HydrophobicContact CD2-CZ3 4.19Å; L265-V378 HydrophobicContact CD1-CG1 4.16Å |
| 266 | C | 94.5 | Very high | 76.8 | Confident | 22 Ų | 22 | 59 Ų | 59 | 15% | 0.149 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128 | 175 | -62.1 | 0 | 0 | 0 | 0 | 109.5 | A240 K241 W385 | A240-C266 CarbonylContact C-O 3.52Å; A240-C266 VanDerWaalsContact CA-O 3.31Å; A240-C266 WeakPolarHBondContact CA-O 3.47Å; K241-C266 HydrophobicContact CB-CB 4.47Å; K241-C266 PolarHBondContact N-O 3.17Å; K241-C266 PolarHBondContact O-N 3.24Å; C266-W385 HydrophobicContact CB-CH2 3.96Å; C266-W385 HydrophobicContact CB-CZ3 4.2Å |
| 267 | L | 95.8 | Very high | 79.2 | Confident | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 121.9 | 177.2 | -179.3 | 73.5 | 0 | 0 | 0 | 109.7 | V238 R239 A240 V269 S317 F318 L333 L335 | V238-L267 HydrophobicContact CB-CD1 4.03Å; V238-L267 HydrophobicContact CG2-CD1 4.25Å; R239-L267 CarbonylContact O-C 3.54Å; R239-L267 WeakPolarHBondContact O-CA 3Å; A240-L267 HydrophobicContact CB-CD1 3.86Å; L267-V269 HydrophobicContact CD2-CG2 4.49Å; L267-S317 CarbonylContact O-C 3.59Å; L267-S317 WeakPolarHBondContact O-CA 3.41Å; L267-F318 HydrophobicContact CB-CB 4.38Å; L267-F318 HydrophobicContact CD2-CD2 4.2Å; L267-F318 PolarHBondContact N-O 2.81Å; L267-F318 PolarHBondContact O-N 3.16Å; L267-L333 HydrophobicContact CD2-CD2 4.01Å; L267-L335 HydrophobicContact CD2-CD1 4.04Å; L267-L335 HydrophobicContact CD2-CD2 3.6Å; L267-L335 HydrophobicContact CD2-CG 4.42Å |
| 268 | V | 96.6 | Very high | 81.5 | Confident | 21 Ų | 21 | 49 Ų | 49 | 13% | 0.127 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 116.5 | 173.6 | -172.1 | 0 | 0 | 0 | 0 | 108.6 | V238 R239 L270 H316 W385 | V238-V268 CarbonylContact C-O 3.44Å; V238-V268 VanDerWaalsContact CA-O 3.3Å; V238-V268 WeakPolarHBondContact CA-O 3.42Å; R239-V268 HydrophobicContact CB-CB 4.36Å; R239-V268 PolarHBondContact N-O 3.21Å; R239-V268 PolarHBondContact O-N 3.43Å; V268-L270 HydrophobicContact CG1-CD2 3.86Å; V268-L270 PolarHBondContact O-N 3.31Å; V268-H316 WeakPolarHBondContact CA-O 3.34Å; V268-W385 HydrophobicContact CG2-CH2 3.66Å; V268-W385 HydrophobicContact CG2-CZ3 3.82Å |
| 269 | V | 96.4 | Very high | 83.2 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 107.5 | 172.3 | -178 | 0 | 0 | 0 | 0 | 107.9 | L236 L267 V287 W314 K315 H316 F318 | L236-V269 HydrophobicContact CD1-CG1 3.94Å; L267-V269 HydrophobicContact CD2-CG2 4.49Å; V269-V287 HydrophobicContact CG1-CB 4.35Å; V269-V287 HydrophobicContact CG1-CG1 4.4Å; V269-V287 HydrophobicContact CG1-CG2 3.94Å; V269-V287 HydrophobicContact CG2-CG1 4.34Å; V269-W314 HydrophobicContact CG1-CD2 4.47Å; V269-W314 HydrophobicContact CG1-CE3 3.84Å; V269-W314 HydrophobicContact CG1-CZ3 4.44Å; V269-K315 CarbonylContact O-C 3.59Å; V269-K315 WeakPolarHBondContact O-CA 3.42Å; V269-K315 PolarHBondContact O-N 3.28Å; V269-H316 PolarHBondContact N-O 3.35Å; V269-H316 PolarHBondContact O-N 2.78Å; V269-F318 HydrophobicContact CG2-CD2 3.93Å; V269-F318 HydrophobicContact CG2-CE2 3.63Å |
| 270 | L | 95.6 | Very high | 84.9 | Confident | 59 Ų | 59 | 38 Ų | 38 | 31% | 0.309 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | -53.5 | -172.9 | -60 | 172.1 | 0 | 0 | 0 | 110.8 | A237 R239 V268 Q313 W314 K315 | A237-L270 HydrophobicContact CB-CB 4.18Å; A237-L270 HydrophobicContact CB-CD1 4.38Å; A237-L270 WeakPolarHBondContact O-CB 3.08Å; A237-L270 PolarHBondContact O-N 3.42Å; R239-L270 HydrophobicContact CB-CD1 4.49Å; V268-L270 HydrophobicContact CG1-CD2 3.86Å; V268-L270 PolarHBondContact O-N 3.31Å; L270-Q313 CarbonylContact O-C 3.53Å; L270-Q313 WeakPolarHBondContact O-CA 3.43Å; L270-W314 PolarHBondContact O-N 2.9Å; L270-K315 PolarHBondContact O-N 2.67Å; L270-K315 VanDerWaalsContact O-N 3.12Å |
| 271 | G | 94.4 | Very high | 85.9 | Confident | 9 Ų | 9 | 36.1 Ų | 36.1 | 9% | 0.093 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 176.4 | 175.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | A237 P312 | A237-G271 PolarHBondContact N-O 2.71Å; G271-P312 CarbonylContact C-O 3.56Å; G271-P312 WeakPolarHBondContact CA-O 3.22Å |
| 272 | A | 93.3 | Very high | 86.9 | Confident | 7 Ų | 7 | 32.5 Ų | 32.5 | 6% | 0.058 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 153.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.9 | E235 L236 L275 P312 W314 | E235-A272 CarbonylContact O-C 3.57Å; E235-A272 WeakPolarHBondContact O-CA 3.35Å; E235-A272 WeakPolarHBondContact O-CB 3.32Å; L236-A272 HydrophobicContact CD1-CB 3.96Å; A272-L275 HydrophobicContact CB-CD1 3.7Å; A272-L275 HydrophobicContact CB-CD2 4.06Å; A272-L275 HydrophobicContact CB-CG 3.9Å; A272-P312 HydrophobicContact CB-CG 4.24Å; A272-P312 PolarHBondContact N-O 2.99Å; A272-W314 HydrophobicContact CB-CH2 3.93Å; A272-W314 HydrophobicContact CB-CZ3 3.66Å |
| 273 | K | 88.7 | Confident | 87.3 | Confident | 97 Ų | 97 | 27.6 Ų | 27.6 | 42% | 0.422 | 15% | 0.153 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 157.6 | 179.5 | 45.4 | 171.7 | 163.9 | 145.9 | 0 | 110.1 | G234 E235 L275 | G234-K273 CarbonylContact C-O 3.54Å; G234-K273 VanDerWaalsContact CA-O 3.31Å; G234-K273 WeakPolarHBondContact CA-O 3.2Å; E235-K273 HydrophobicContact CB-CG 4.05Å; E235-K273 PolarHBondContact N-O 3.26Å; E235-K273 PolarHBondContact O-N 3.24Å; E235-K273 WeakPolarHBondContact OE2-CE 3.41Å; E235-K273 IonicContact OE2-NZ 2.65Å; E235-K273 PolarHBondContact OE2-NZ 2.86Å; K273-L275 PolarHBondContact O-N 2.89Å |
| 274 | N | 84.2 | Confident | 87.5 | Confident | 41 Ų | 41 | 28.2 Ų | 28.2 | 22% | 0.219 | 16% | 0.156 | C | C | . | . | S | Bend | trans | 60.3 | 21.6 | -180 | -57.2 | -26.8 | 0 | 0 | 0 | 115.4 | R175 | R175-N274 PolarHBondContact NH2-O 3.42Š|
| 275 | L | 87 | Confident | 87.6 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 14% | 0.138 | C | C | . | . | trans | -64.5 | 148.2 | 176.8 | -65.7 | 179 | 0 | 0 | 0 | 111.8 | Q171 R175 A272 K273 V277 L283 P312 V337 L350 L392 | Q171-L275 PolarHBondContact NE2-O 2.86Å; Q171-L275 PolarHBondContact OE1-O 2.84Å; R175-L275 PolarHBondContact NH2-O 3.41Å; A272-L275 HydrophobicContact CB-CD1 3.7Å; A272-L275 HydrophobicContact CB-CD2 4.06Å; A272-L275 HydrophobicContact CB-CG 3.9Å; K273-L275 PolarHBondContact O-N 2.89Å; L275-V277 PolarHBondContact O-N 2.82Å; L275-L283 HydrophobicContact CB-CD1 3.86Å; L275-L283 HydrophobicContact CD1-CD1 4.03Å; L275-P312 HydrophobicContact CD1-CG 3.77Å; L275-V337 HydrophobicContact CD1-CG1 4.06Å; L275-V337 HydrophobicContact CD2-CG1 4.25Å; L275-L350 HydrophobicContact CD1-CD1 4.23Å; L275-L392 HydrophobicContact CD2-CD1 3.42Å; L275-L392 VanDerWaalsContact CD2-CD1 3.42Å | ||
| 276 | P | 83.5 | Confident | 87.7 | Confident | 12 Ų | 12 | 24.2 Ų | 24.2 | 8% | 0.078 | 14% | 0.138 | C | C | . | . | trans | -68.7 | 98.5 | 170.7 | 25.3 | -29.9 | 0 | 0 | 0 | 109.8 | D139 N233 R348 L350 | D139-P276 HydrophobicContact CB-CB 4.38Å; N233-P276 WeakPolarHBondContact O-CD 3.07Å; P276-R348 PolarHBondContact O-NH2 3.02Å; P276-L350 HydrophobicContact CG-CB 4.32Å; P276-L350 HydrophobicContact CG-CD2 3.99Å; P276-L350 VanDerWaalsContact O-CD2 3.31Å; P276-L350 WeakPolarHBondContact O-CD2 3.1Å | ||
| 277 | V | 82 | Confident | 87.8 | Confident | 17 Ų | 17 | 23.1 Ų | 23.1 | 10% | 0.103 | 13% | 0.131 | C | C | . | . | trans | -73.2 | 168.6 | 178.8 | -64.1 | 0 | 0 | 0 | 0 | 112.3 | L275 L283 A310 R348 | L275-V277 PolarHBondContact O-N 2.82Å; V277-L283 HydrophobicContact CB-CD1 4.47Å; V277-L283 HydrophobicContact CB-CG 4.23Å; V277-L283 HydrophobicContact CG1-CD1 3.89Å; V277-L283 HydrophobicContact CG1-CG 4.05Å; V277-A310 HydrophobicContact CG1-CB 4.03Å; V277-R348 PolarHBondContact O-NH2 3.09Å | ||
| 278 | R | 79.8 | Confident | 87.9 | Confident | 27 Ų | 27 | 26.3 Ų | 26.3 | 10% | 0.102 | 14% | 0.144 | C | C | . | . | trans | -75.7 | 176.2 | 170.4 | -67.6 | 171.8 | -177.8 | 149 | -4.7 | 111.2 | D280 G281 T282 L283 N284 D339 Q340 | R278-D280 WeakPolarHBondContact CB-OD1 3.43Å; R278-D280 PolarHBondContact O-N 2.84Å; R278-G281 PolarHBondContact O-N 2.95Å; R278-T282 VanDerWaalsContact CB-O 3.28Å; R278-T282 WeakPolarHBondContact CB-O 3.47Å; R278-T282 WeakPolarHBondContact CG-O 3.41Å; R278-T282 PolarHBondContact N-O 3.37Å; R278-T282 VanDerWaalsContact N-O 3.08Å; R278-L283 HydrophobicContact CG-CD2 4.23Å; R278-N284 PolarHBondContact NH1-ND2 2.96Å; R278-D339 VanDerWaalsContact CZ-CG 3.42Å; R278-D339 IonicContact CZ-OD1 2.82Å; R278-D339 IonicContact CZ-OD2 3.97Å; R278-D339 IonicContact NE-OD1 3.45Å; R278-D339 PolarHBondContact NE-OD1 3.34Å; R278-D339 IonicContact NE-OD2 2.7Å; R278-D339 PolarHBondContact NE-OD2 2.86Å; R278-D339 IonicContact NH1-OD1 3.63Å; R278-D339 IonicContact NH2-OD1 3.34Å; R278-D339 PolarHBondContact NH2-OD1 2.95Å; R278-D339 IonicContact NH2-OD2 2.75Å; R278-D339 PolarHBondContact NH2-OD2 2.89Å; R278-Q340 PolarHBondContact NH2-O 2.83Å | ||
| 279 | S | 70.6 | Confident | 87.8 | Confident | 46 Ų | 46 | 25.4 Ų | 25.4 | 32% | 0.322 | 14% | 0.139 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -29.3 | 175.1 | 46.3 | 0 | 0 | 0 | 0 | 115.1 | Q166 | Q166-S279 WeakPolarHBondContact CB-O 3.5Å; Q166-S279 VanDerWaalsContact CG-O 3.28Å; Q166-S279 WeakPolarHBondContact CG-O 3.1Å |
| 280 | D | 75.9 | Confident | 87.7 | Confident | 88 Ų | 88 | 26.2 Ų | 26.2 | 47% | 0.471 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 1.5 | 177 | 69.3 | -11.1 | 0 | 0 | 0 | 113.1 | R278 T282 | R278-D280 WeakPolarHBondContact CB-OD1 3.43Å; R278-D280 PolarHBondContact O-N 2.84Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.88Å; D280-T282 PolarHBondContact OD1-N 3.11Å; D280-T282 PolarHBondContact OD1-OG1 2.87Å; D280-T282 VanDerWaalsContact OD1-OG1 3.14Å; D280-T282 PolarHBondContact OD2-OG1 2.88Å |
| 281 | G | 73.5 | Confident | 87.7 | Confident | 17 Ų | 17 | 23.4 Ų | 23.4 | 18% | 0.175 | 13% | 0.13 | C | C | . | . | S | Bend | trans | 79.7 | 4.3 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114 | R278 A310 | R278-G281 PolarHBondContact O-N 2.95Å; G281-A310 WeakPolarHBondContact O-CB 3.33Å |
| 282 | T | 82.1 | Confident | 87.6 | Confident | 30 Ų | 30 | 24.4 Ų | 24.4 | 18% | 0.184 | 13% | 0.134 | C | C | . | . | trans | -121.5 | 164.7 | -174.8 | 85.1 | 0 | 0 | 0 | 0 | 113.6 | R278 D280 K308 | R278-T282 VanDerWaalsContact CB-O 3.28Å; R278-T282 WeakPolarHBondContact CB-O 3.47Å; R278-T282 WeakPolarHBondContact CG-O 3.41Å; R278-T282 PolarHBondContact N-O 3.37Å; R278-T282 VanDerWaalsContact N-O 3.08Å; D280-T282 VanDerWaalsContact C-N 3.28Å; D280-T282 VanDerWaalsContact CG-OG1 3.27Å; D280-T282 PolarHBondContact O-N 2.88Å; D280-T282 PolarHBondContact OD1-N 3.11Å; D280-T282 PolarHBondContact OD1-OG1 2.87Å; D280-T282 VanDerWaalsContact OD1-OG1 3.14Å; D280-T282 PolarHBondContact OD2-OG1 2.88Å; T282-K308 HydrophobicContact CG2-CB 4.44Å | ||
| 283 | L | 87.5 | Confident | 87.6 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.3 | 174.8 | -66.5 | 166.4 | 0 | 0 | 0 | 110.9 | L275 V277 R278 K307 K308 Q309 D339 L350 | L275-L283 HydrophobicContact CB-CD1 3.86Å; L275-L283 HydrophobicContact CD1-CD1 4.03Å; V277-L283 HydrophobicContact CB-CD1 4.47Å; V277-L283 HydrophobicContact CB-CG 4.23Å; V277-L283 HydrophobicContact CG1-CD1 3.89Å; V277-L283 HydrophobicContact CG1-CG 4.05Å; R278-L283 HydrophobicContact CG-CD2 4.23Å; L283-K307 CarbonylContact O-C 3.52Å; L283-K308 WeakPolarHBondContact O-CA 3.44Å; L283-K308 PolarHBondContact O-N 3.4Å; L283-Q309 WeakPolarHBondContact CB-O 3.36Å; L283-Q309 PolarHBondContact N-O 2.8Å; L283-Q309 PolarHBondContact O-N 3.45Å; L283-D339 HydrophobicContact CD2-CB 3.91Å; L283-L350 HydrophobicContact CD1-CD1 3.67Å; L283-L350 HydrophobicContact CD2-CD1 4.07Å; L283-L350 HydrophobicContact CD2-CD2 3.99Å; L283-L350 HydrophobicContact CG-CD1 4.41Å |
| 284 | N | 91.1 | Very high | 87.5 | Confident | 14 Ų | 14 | 22.2 Ų | 22.2 | 8% | 0.075 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 70.4 | 163.7 | -64.5 | -29.9 | 0 | 0 | 0 | 108.8 | R278 V305 L306 K307 K308 D339 Q340 | R278-N284 PolarHBondContact NH1-ND2 2.96Å; N284-V305 HydrophobicContact CB-CG1 4.11Å; N284-V305 WeakPolarHBondContact O-CG1 3.44Å; N284-L306 CarbonylContact C-O 3.46Å; N284-L306 VanDerWaalsContact C-O 3.26Å; N284-L306 VanDerWaalsContact CA-O 3.24Å; N284-L306 WeakPolarHBondContact CA-O 3.14Å; N284-K307 VanDerWaalsContact OD1-CA 3.29Å; N284-K307 WeakPolarHBondContact OD1-CA 3.37Å; N284-K307 WeakPolarHBondContact OD1-CB 3.45Å; N284-K308 PolarHBondContact OD1-N 3.36Å; N284-K308 VanDerWaalsContact OD1-N 3.13Å; N284-D339 PolarHBondContact N-OD1 3.39Å; N284-Q340 HydrophobicContact CB-CB 3.98Å; N284-Q340 WeakPolarHBondContact CB-O 3.38Å; N284-Q340 VanDerWaalsContact O-CB 3.29Å; N284-Q340 WeakPolarHBondContact O-CB 3.36Å; N284-Q340 PolarHBondContact O-N 2.84Å |
| 285 | S | 93.7 | Very high | 87.8 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 144.2 | -162.7 | 69.1 | 0 | 0 | 0 | 0 | 114.4 | V305 L306 P312 W314 W338 | S285-V305 WeakPolarHBondContact O-CA 3.43Å; S285-L306 PolarHBondContact N-O 2.92Å; S285-L306 PolarHBondContact O-N 3.08Å; S285-P312 WeakPolarHBondContact OG-CB 3.18Å; S285-P312 WeakPolarHBondContact OG-CG 3.41Å; S285-W314 PolarHBondContact O-NE1 2.85Å; S285-W314 VanDerWaalsContact O-NE1 3.15Å; S285-W314 WeakPolarHBondContact OG-CZ2 3.3Å; S285-W338 CarbonylContact C-O 3.59Å; S285-W338 WeakPolarHBondContact CA-O 3.4Å |
| 286 | F | 95.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146 | 161.8 | 170.1 | 66.1 | -92.3 | 0 | 0 | 0 | 111 | K288 K302 V305 W338 Q340 D347 | F286-K288 HydrophobicContact CD2-CG 4.18Å; F286-K288 HydrophobicContact CE2-CD 3.87Å; F286-K288 VanDerWaalsContact CE2-CE 3.47Å; F286-K288 HydrophobicContact CE2-CG 3.84Å; F286-K302 HydrophobicContact CD2-CD 4.23Å; F286-K302 HydrophobicContact CD2-CG 4.02Å; F286-K302 HydrophobicContact CE2-CD 4.37Å; F286-K302 VanDerWaalsContact CE2-CE 3.5Å; F286-K302 HydrophobicContact CE2-CG 4.49Å; F286-V305 HydrophobicContact CB-CB 4.46Å; F286-V305 HydrophobicContact CB-CG2 3.99Å; F286-V305 HydrophobicContact CD1-CG1 4.46Å; F286-V305 HydrophobicContact CD1-CG2 3.88Å; F286-V305 HydrophobicContact CG-CG2 4.19Å; F286-W338 HydrophobicContact CD1-CB 4.11Å; F286-W338 HydrophobicContact CD2-CB 4.01Å; F286-W338 HydrophobicContact CD2-CG 4.42Å; F286-W338 HydrophobicContact CE1-CB 3.6Å; F286-W338 HydrophobicContact CE1-CG 4.5Å; F286-W338 HydrophobicContact CE2-CB 3.43Å; F286-W338 VanDerWaalsContact CE2-CB 3.43Å; F286-W338 AromaticContact CE2-CD1 3.74Å; F286-W338 AromaticContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CG-CB 4.32Å; F286-W338 HydrophobicContact CZ-CB 3.23Å; F286-W338 HydrophobicContact CZ-CD2 4.38Å; F286-W338 AromaticContact CZ-CG 3.68Å; F286-W338 HydrophobicContact CZ-CG 3.68Å; F286-W338 PolarHBondContact N-O 2.99Å; F286-W338 PolarHBondContact O-N 2.82Å; F286-Q340 HydrophobicContact CD1-CB 4.01Å; F286-Q340 HydrophobicContact CE1-CB 3.87Å; F286-D347 HydrophobicContact CZ-CB 4.35Å; F286-D347 VanDerWaalsContact CZ-OD2 3.25Å; F286-D347 WeakPolarHBondContact CZ-OD2 3.31Å |
| 287 | V | 96.8 | Very high | 88.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 136.2 | 179.1 | -175.6 | 0 | 0 | 0 | 0 | 109.9 | L236 V269 K302 S303 W314 F318 T336 V337 | L236-V287 HydrophobicContact CD1-CG2 4.36Å; V269-V287 HydrophobicContact CG1-CB 4.35Å; V269-V287 HydrophobicContact CG1-CG1 4.4Å; V269-V287 HydrophobicContact CG1-CG2 3.94Å; V269-V287 HydrophobicContact CG2-CG1 4.34Å; V287-K302 CarbonylContact O-C 3.5Å; V287-K302 WeakPolarHBondContact O-CA 3.46Å; V287-S303 PolarHBondContact N-OG 2.8Å; V287-S303 PolarHBondContact O-N 3.28Å; V287-W314 HydrophobicContact CG2-CD2 3.91Å; V287-W314 HydrophobicContact CG2-CE3 3.86Å; V287-W314 HydrophobicContact CG2-CH2 3.61Å; V287-W314 HydrophobicContact CG2-CZ2 3.65Å; V287-W314 HydrophobicContact CG2-CZ3 3.72Å; V287-F318 HydrophobicContact CG1-CE2 4.46Å; V287-T336 WeakPolarHBondContact CA-O 3.45Å; V287-V337 HydrophobicContact CG2-CG1 4.49Å; V287-V337 HydrophobicContact CG2-CG2 4.19Å |
| 288 | K | 96.7 | Very high | 88.7 | Confident | 68 Ų | 68 | 40.5 Ų | 40.5 | 30% | 0.296 | 21% | 0.212 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 131.3 | 168 | -74.9 | 168.3 | 177.4 | 155.3 | 0 | 108.5 | F286 V301 K302 L335 T336 | F286-K288 HydrophobicContact CD2-CG 4.18Å; F286-K288 HydrophobicContact CE2-CD 3.87Å; F286-K288 VanDerWaalsContact CE2-CE 3.47Å; F286-K288 HydrophobicContact CE2-CG 3.84Å; K288-V301 CarbonylContact C-O 3.55Å; K288-V301 WeakPolarHBondContact CA-O 3.46Å; K288-K302 HydrophobicContact CG-CB 4.34Å; K288-K302 HydrophobicContact CG-CG 4.01Å; K288-L335 WeakPolarHBondContact O-CA 3.22Å; K288-T336 PolarHBondContact N-O 2.82Å; K288-T336 PolarHBondContact O-N 2.81Å; K288-T336 PolarHBondContact O-OG1 3.17Å |
| 289 | G | 95.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 134.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | R300 V301 E334 | G289-R300 CarbonylContact O-C 3.53Å; G289-R300 WeakPolarHBondContact O-CA 3.3Å; G289-V301 PolarHBondContact N-O 3.43Å; G289-V301 WeakPolarHBondContact O-CG2 3.26Å; G289-V301 PolarHBondContact O-N 2.76Å; G289-E334 CarbonylContact C-O 3.57Å; G289-E334 WeakPolarHBondContact CA-O 3.49Å |
| 290 | C | 95.1 | Very high | 90.5 | Very high | 17 Ų | 17 | 48.1 Ų | 48.1 | 12% | 0.115 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 109.6 | 175.3 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | L299 R300 E334 | C290-L299 CarbonylContact C-O 3.53Å; C290-L299 WeakPolarHBondContact CA-O 3.27Å; C290-R300 HydrophobicContact CB-CG 4.45Å; C290-E334 HydrophobicContact CB-CB 4.42Å; C290-E334 PolarHBondContact N-O 3.37Å; C290-E334 PolarHBondContact O-N 3.44Å |
| 291 | L | 94.3 | Very high | 91.4 | Very high | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 116.8 | 171.6 | -178.7 | 65.4 | 0 | 0 | 0 | 108.9 | L265 L293 K298 L299 F320 V323 L328 L333 W375 | L265-L291 HydrophobicContact CD2-CD2 4.32Å; L291-L293 HydrophobicContact CD2-CD2 4.08Å; L291-L293 HydrophobicContact CG-CD2 4.19Å; L291-K298 CarbonylContact O-C 3.55Å; L291-K298 WeakPolarHBondContact O-CA 3.14Å; L291-L299 HydrophobicContact CB-CB 4.34Å; L291-L299 HydrophobicContact CD2-CD1 4.38Å; L291-L299 PolarHBondContact N-O 2.82Å; L291-L299 PolarHBondContact O-N 2.86Å; L291-F320 HydrophobicContact CB-CD1 3.87Å; L291-F320 HydrophobicContact CB-CE1 3.73Å; L291-F320 HydrophobicContact CB-CE2 4.43Å; L291-F320 HydrophobicContact CB-CG 4.28Å; L291-F320 HydrophobicContact CB-CZ 4.01Å; L291-F320 HydrophobicContact CD2-CB 3.91Å; L291-F320 HydrophobicContact CD2-CD1 4.13Å; L291-F320 HydrophobicContact CD2-CD2 4.29Å; L291-F320 HydrophobicContact CD2-CG 3.85Å; L291-V323 HydrophobicContact CD2-CG1 4Å; L291-L328 HydrophobicContact CD1-CD2 4.25Å; L291-L328 HydrophobicContact CD2-CD2 3.97Å; L291-L333 HydrophobicContact CB-CD1 4.37Å; L291-L333 HydrophobicContact CD1-CB 4.13Å; L291-W375 HydrophobicContact CD1-CH2 4.46Å |
| 292 | T | 93.6 | Very high | 92.5 | Very high | 31 Ų | 31 | 49.4 Ų | 49.4 | 19% | 0.19 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 114.7 | 175.2 | -52.9 | 0 | 0 | 0 | 0 | 109 | K298 S331 T332 | T292-K298 HydrophobicContact CG2-CG 4.24Å; T292-S331 VanDerWaalsContact O-CA 3.25Å; T292-S331 WeakPolarHBondContact O-CA 3.23Å; T292-S331 VanDerWaalsContact O-CB 3.26Å; T292-S331 WeakPolarHBondContact O-CB 3.43Å; T292-T332 PolarHBondContact N-O 3.35Å; T292-T332 PolarHBondContact O-N 2.97Å; T292-T332 VanDerWaalsContact O-N 3.08Å |
| 293 | L | 91.3 | Very high | 93.2 | Very high | 7 Ų | 7 | 48.2 Ų | 48.2 | 4% | 0.037 | 23% | 0.229 | C | C | . | . | trans | -83.1 | 165.6 | 178.7 | -63.7 | 179.6 | 0 | 0 | 0 | 111.4 | L291 N295 Q296 Q297 L299 V323 S331 | L291-L293 HydrophobicContact CD2-CD2 4.08Å; L291-L293 HydrophobicContact CG-CD2 4.19Å; L293-N295 WeakPolarHBondContact CB-OD1 3.45Å; L293-N295 PolarHBondContact O-N 3.03Å; L293-Q296 PolarHBondContact O-N 3.41Å; L293-Q297 HydrophobicContact CB-CB 4.42Å; L293-Q297 HydrophobicContact CD1-CB 4.41Å; L293-Q297 PolarHBondContact N-O 3.09Å; L293-L299 HydrophobicContact CD1-CD1 4.21Å; L293-L299 HydrophobicContact CD1-CG 4.48Å; L293-V323 HydrophobicContact CD2-CG1 4.06Å; L293-S331 WeakPolarHBondContact CD2-OG 3.38Å | ||
| 294 | P | 88.3 | Confident | 93.5 | Very high | 51 Ų | 51 | 51.8 Ų | 51.8 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -28.9 | -176.6 | -25.3 | 37.4 | 0 | 0 | 0 | 114 | Q296 Q327 Q330 | P294-Q296 PolarHBondContact O-N 2.93Å; P294-Q327 HydrophobicContact CG-CB 4.48Å; P294-Q330 HydrophobicContact CB-CB 4.27Å; P294-Q330 HydrophobicContact CG-CB 3.57Å |
| 295 | N | 89.2 | Confident | 93.7 | Very high | 97 Ų | 97 | 52.9 Ų | 52.9 | 52% | 0.519 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | 12.7 | 174.1 | 66.8 | -9 | 0 | 0 | 0 | 113.5 | L293 Q297 | L293-N295 WeakPolarHBondContact CB-OD1 3.45Å; L293-N295 PolarHBondContact O-N 3.03Å; N295-Q297 PolarHBondContact ND2-OE1 3.14Å; N295-Q297 PolarHBondContact O-N 3.26Å; N295-Q297 VanDerWaalsContact O-N 3.14Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.41Å; N295-Q297 PolarHBondContact OD1-N 3.22Å |
| 296 | Q | 87.4 | Confident | 93.7 | Very high | 144 Ų | 144 | 54.9 Ų | 54.9 | 67% | 0.673 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 64.6 | 5.9 | -174.5 | -59 | -65.6 | -40.4 | 0 | 0 | 115.3 | L293 P294 K298 | L293-Q296 PolarHBondContact O-N 3.41Å; P294-Q296 PolarHBondContact O-N 2.93Å; Q296-K298 PolarHBondContact O-N 2.56Å |
| 297 | Q | 91.1 | Very high | 93.5 | Very high | 102 Ų | 102 | 61.8 Ų | 61.8 | 48% | 0.477 | 30% | 0.3 | S | S | . | . | trans | -68.5 | 131.1 | 174.3 | -170.8 | 178.7 | 15.7 | 0 | 0 | 110.1 | L293 N295 L299 | L293-Q297 HydrophobicContact CB-CB 4.42Å; L293-Q297 HydrophobicContact CD1-CB 4.41Å; L293-Q297 PolarHBondContact N-O 3.09Å; N295-Q297 PolarHBondContact ND2-OE1 3.14Å; N295-Q297 PolarHBondContact O-N 3.26Å; N295-Q297 VanDerWaalsContact O-N 3.14Å; N295-Q297 WeakPolarHBondContact OD1-CB 3.41Å; N295-Q297 PolarHBondContact OD1-N 3.22Å; Q297-L299 HydrophobicContact CG-CD2 4.41Å | ||
| 298 | K | 92.8 | Very high | 93 | Very high | 111 Ų | 111 | 69.5 Ų | 69.5 | 48% | 0.483 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 113 | 179.7 | -67.2 | -175.1 | 179.1 | -176.2 | 0 | 110.4 | L291 T292 Q296 | L291-K298 CarbonylContact O-C 3.55Å; L291-K298 WeakPolarHBondContact O-CA 3.14Å; T292-K298 HydrophobicContact CG2-CG 4.24Å; Q296-K298 PolarHBondContact O-N 2.56Å |
| 299 | L | 92.8 | Very high | 92.4 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 23% | 0.225 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 121 | 171.6 | -54 | 179.6 | 0 | 0 | 0 | 108.6 | C290 L291 L293 Q297 F320 V323 | C290-L299 CarbonylContact C-O 3.53Å; C290-L299 WeakPolarHBondContact CA-O 3.27Å; L291-L299 HydrophobicContact CB-CB 4.34Å; L291-L299 HydrophobicContact CD2-CD1 4.38Å; L291-L299 PolarHBondContact N-O 2.82Å; L291-L299 PolarHBondContact O-N 2.86Å; L293-L299 HydrophobicContact CD1-CD1 4.21Å; L293-L299 HydrophobicContact CD1-CG 4.48Å; Q297-L299 HydrophobicContact CG-CD2 4.41Å; L299-F320 HydrophobicContact CB-CD1 3.64Å; L299-F320 HydrophobicContact CB-CE1 3.96Å; L299-F320 HydrophobicContact CD1-CB 4.33Å; L299-F320 HydrophobicContact CD1-CD1 4.15Å; L299-F320 WeakPolarHBondContact O-CE1 3.45Å; L299-V323 HydrophobicContact CD1-CG1 4.25Å |
| 300 | R | 95.4 | Very high | 91.6 | Very high | 189 Ų | 189 | 71.9 Ų | 71.9 | 71% | 0.713 | 35% | 0.352 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 137.6 | -173.8 | -61.3 | -177.9 | -174 | -139.6 | 5.9 | 111.3 | G289 C290 | G289-R300 CarbonylContact O-C 3.53Å; G289-R300 WeakPolarHBondContact O-CA 3.3Å; C290-R300 HydrophobicContact CB-CG 4.45Å |
| 301 | V | 95.9 | Very high | 91.2 | Very high | 33 Ų | 33 | 74.8 Ų | 74.8 | 20% | 0.2 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 152.8 | 178.8 | -67 | 0 | 0 | 0 | 0 | 109.3 | K288 G289 F318 F320 | K288-V301 CarbonylContact C-O 3.55Å; K288-V301 WeakPolarHBondContact CA-O 3.46Å; G289-V301 PolarHBondContact N-O 3.43Å; G289-V301 WeakPolarHBondContact O-CG2 3.26Å; G289-V301 PolarHBondContact O-N 2.76Å; V301-F318 HydrophobicContact CB-CB 4.27Å; V301-F318 HydrophobicContact CB-CD1 3.56Å; V301-F318 HydrophobicContact CB-CD2 4.45Å; V301-F318 HydrophobicContact CB-CE1 3.89Å; V301-F318 HydrophobicContact CB-CG 3.86Å; V301-F318 HydrophobicContact CB-CZ 4.48Å; V301-F318 HydrophobicContact CG1-CB 4.44Å; V301-F318 HydrophobicContact CG1-CD1 4.36Å; V301-F318 HydrophobicContact CG2-CB 3.8Å; V301-F318 HydrophobicContact CG2-CD1 3.6Å; V301-F318 HydrophobicContact CG2-CD2 3.58Å; V301-F318 HydrophobicContact CG2-CE1 3.97Å; V301-F318 HydrophobicContact CG2-CE2 3.95Å; V301-F318 HydrophobicContact CG2-CG 3.38Å; V301-F318 HydrophobicContact CG2-CZ 4.14Å; V301-F320 HydrophobicContact CG1-CE1 3.94Å; V301-F320 HydrophobicContact CG1-CZ 4.27Å; V301-F320 HydrophobicContact CG2-CE1 3.98Å; V301-F320 HydrophobicContact CG2-CE2 4.44Å; V301-F320 HydrophobicContact CG2-CZ 3.57Å |
| 302 | K | 96.1 | Very high | 91.1 | Very high | 99 Ų | 99 | 74.8 Ų | 74.8 | 43% | 0.43 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 136 | -177.9 | -173.5 | -174.1 | 174.7 | 178.7 | 0 | 110.1 | F286 V287 K288 F318 | F286-K302 HydrophobicContact CD2-CD 4.23Å; F286-K302 HydrophobicContact CD2-CG 4.02Å; F286-K302 HydrophobicContact CE2-CD 4.37Å; F286-K302 VanDerWaalsContact CE2-CE 3.5Å; F286-K302 HydrophobicContact CE2-CG 4.49Å; V287-K302 CarbonylContact O-C 3.5Å; V287-K302 WeakPolarHBondContact O-CA 3.46Å; K288-K302 HydrophobicContact CG-CB 4.34Å; K288-K302 HydrophobicContact CG-CG 4.01Å; K302-F318 VanDerWaalsContact C-CE1 3.41Å |
| 303 | S | 96.1 | Very high | 91 | Very high | 6 Ų | 6 | 79.3 Ų | 79.3 | 4% | 0.042 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -78.4 | 162.6 | 175.3 | 76.8 | 0 | 0 | 0 | 0 | 111.5 | V287 | V287-S303 PolarHBondContact N-OG 2.8Å; V287-S303 PolarHBondContact O-N 3.28Å |
| 304 | P | 95.4 | Very high | 91.2 | Very high | 75 Ų | 75 | 80 Ų | 80 | 49% | 0.487 | 39% | 0.393 | S | S | . | . | P | Polyproline II helix | trans | -55.1 | 153.4 | 160.8 | -23 | 34 | 0 | 0 | 0 | 111.4 | H316 | P304-H316 WeakPolarHBondContact CD-ND1 3.44Š|
| 305 | V | 94.8 | Very high | 91.5 | Very high | 37 Ų | 37 | 84.4 Ų | 84.4 | 22% | 0.224 | 41% | 0.407 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 122.3 | 175 | -174 | 0 | 0 | 0 | 0 | 109.2 | N284 S285 F286 K307 Q340 | N284-V305 HydrophobicContact CB-CG1 4.11Å; N284-V305 WeakPolarHBondContact O-CG1 3.44Å; S285-V305 WeakPolarHBondContact O-CA 3.43Å; F286-V305 HydrophobicContact CB-CB 4.46Å; F286-V305 HydrophobicContact CB-CG2 3.99Å; F286-V305 HydrophobicContact CD1-CG1 4.46Å; F286-V305 HydrophobicContact CD1-CG2 3.88Å; F286-V305 HydrophobicContact CG-CG2 4.19Å; V305-K307 HydrophobicContact CG1-CG 4.39Å; V305-Q340 HydrophobicContact CG1-CB 3.98Å |
| 306 | L | 92.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 82.4 Ų | 82.4 | 22% | 0.22 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.1 | 170.9 | -63.2 | -177.5 | 0 | 0 | 0 | 109.1 | N284 S285 P312 W314 | N284-L306 CarbonylContact C-O 3.46Å; N284-L306 VanDerWaalsContact C-O 3.26Å; N284-L306 VanDerWaalsContact CA-O 3.24Å; N284-L306 WeakPolarHBondContact CA-O 3.14Å; S285-L306 PolarHBondContact N-O 2.92Å; S285-L306 PolarHBondContact O-N 3.08Å; L306-P312 HydrophobicContact CD1-CB 3.9Å; L306-W314 HydrophobicContact CD1-CB 4.41Å; L306-W314 HydrophobicContact CD1-CD2 4.24Å; L306-W314 HydrophobicContact CD1-CG 3.83Å; L306-W314 HydrophobicContact CG-CG 4.36Å |
| 307 | K | 91.4 | Very high | 92.2 | Very high | 144 Ų | 144 | 79 Ų | 79 | 63% | 0.626 | 39% | 0.386 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 142.8 | -173.6 | -63.5 | -178.7 | -178 | 177.6 | 0 | 111.4 | L283 N284 V305 Q309 | L283-K307 CarbonylContact O-C 3.52Å; N284-K307 VanDerWaalsContact OD1-CA 3.29Å; N284-K307 WeakPolarHBondContact OD1-CA 3.37Å; N284-K307 WeakPolarHBondContact OD1-CB 3.45Å; V305-K307 HydrophobicContact CG1-CG 4.39Å; K307-Q309 PolarHBondContact O-N 3.38Å |
| 308 | K | 86.6 | Confident | 92.4 | Very high | 163 Ų | 163 | 74.4 Ų | 74.4 | 71% | 0.709 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 54.1 | 44.6 | 174 | -56.1 | -175.9 | 177.5 | -176 | 0 | 114.5 | T282 L283 N284 | T282-K308 HydrophobicContact CG2-CB 4.44Å; L283-K308 WeakPolarHBondContact O-CA 3.44Å; L283-K308 PolarHBondContact O-N 3.4Å; N284-K308 PolarHBondContact OD1-N 3.36Å; N284-K308 VanDerWaalsContact OD1-N 3.13Å |
| 309 | Q | 84.7 | Confident | 92.5 | Very high | 80 Ų | 80 | 72.3 Ų | 72.3 | 37% | 0.374 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 136.9 | 177 | -67.9 | -172.2 | -33.1 | 0 | 0 | 111.7 | L283 K307 | L283-Q309 WeakPolarHBondContact CB-O 3.36Å; L283-Q309 PolarHBondContact N-O 2.8Å; L283-Q309 PolarHBondContact O-N 3.45Å; K307-Q309 PolarHBondContact O-N 3.38Å |
| 310 | A | 78.9 | Confident | 92.5 | Very high | 38 Ų | 38 | 70.5 Ų | 70.5 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | S | Bend | trans | -82.9 | -36.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V277 G281 P312 | V277-A310 HydrophobicContact CG1-CB 4.03Å; G281-A310 WeakPolarHBondContact O-CB 3.33Å; A310-P312 WeakPolarHBondContact O-CD 3.46Å |
| 311 | C | 86.6 | Confident | 92.3 | Very high | 79 Ų | 79 | 66.4 Ų | 66.4 | 53% | 0.534 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -121.5 | 78.6 | -178.3 | -64.8 | 0 | 0 | 0 | 0 | 109.4 | ||
| 312 | P | 91 | Very high | 91.8 | Very high | 0 Ų | 0 | 66.7 Ų | 66.7 | 0% | 0 | 35% | 0.354 | C | S | . | . | trans | -66.5 | 138.5 | -173.6 | 27.4 | -36 | 0 | 0 | 0 | 112.4 | G271 A272 L275 S285 L306 A310 W314 | G271-P312 CarbonylContact C-O 3.56Å; G271-P312 WeakPolarHBondContact CA-O 3.22Å; A272-P312 HydrophobicContact CB-CG 4.24Å; A272-P312 PolarHBondContact N-O 2.99Å; L275-P312 HydrophobicContact CD1-CG 3.77Å; S285-P312 WeakPolarHBondContact OG-CB 3.18Å; S285-P312 WeakPolarHBondContact OG-CG 3.41Å; L306-P312 HydrophobicContact CD1-CB 3.9Å; A310-P312 WeakPolarHBondContact O-CD 3.46Å; P312-W314 HydrophobicContact CB-CD2 4.22Å; P312-W314 HydrophobicContact CB-CE3 4.29Å; P312-W314 HydrophobicContact CB-CH2 3.73Å; P312-W314 HydrophobicContact CB-CZ2 3.63Å; P312-W314 HydrophobicContact CB-CZ3 4.05Å; P312-W314 HydrophobicContact CG-CE3 4.42Å; P312-W314 HydrophobicContact CG-CH2 3.23Å; P312-W314 HydrophobicContact CG-CZ2 3.58Å; P312-W314 HydrophobicContact CG-CZ3 3.7Å | ||
| 313 | Q | 93.2 | Very high | 91.4 | Very high | 126 Ų | 126 | 62 Ų | 62 | 59% | 0.589 | 33% | 0.333 | S | S | * | . | trans | -121.3 | 86.2 | 173.8 | -65.9 | -170.2 | -4.3 | 0 | 0 | 109.9 | L270 | L270-Q313 CarbonylContact O-C 3.53Å; L270-Q313 WeakPolarHBondContact O-CA 3.43Å | ||
| 314 | W | 94.6 | Very high | 91 | Very high | 21 Ų | 21 | 62 Ų | 62 | 8% | 0.08 | 33% | 0.333 | C | S | . | . | trans | -68.6 | -37.4 | -177.9 | -62.5 | -83.8 | 0 | 0 | 0 | 113.2 | L236 V269 L270 A272 S285 V287 L306 P312 H316 V337 | L236-W314 HydrophobicContact CD1-CZ3 3.92Å; V269-W314 HydrophobicContact CG1-CD2 4.47Å; V269-W314 HydrophobicContact CG1-CE3 3.84Å; V269-W314 HydrophobicContact CG1-CZ3 4.44Å; L270-W314 PolarHBondContact O-N 2.9Å; A272-W314 HydrophobicContact CB-CH2 3.93Å; A272-W314 HydrophobicContact CB-CZ3 3.66Å; S285-W314 PolarHBondContact O-NE1 2.85Å; S285-W314 VanDerWaalsContact O-NE1 3.15Å; S285-W314 WeakPolarHBondContact OG-CZ2 3.3Å; V287-W314 HydrophobicContact CG2-CD2 3.91Å; V287-W314 HydrophobicContact CG2-CE3 3.86Å; V287-W314 HydrophobicContact CG2-CH2 3.61Å; V287-W314 HydrophobicContact CG2-CZ2 3.65Å; V287-W314 HydrophobicContact CG2-CZ3 3.72Å; L306-W314 HydrophobicContact CD1-CB 4.41Å; L306-W314 HydrophobicContact CD1-CD2 4.24Å; L306-W314 HydrophobicContact CD1-CG 3.83Å; L306-W314 HydrophobicContact CG-CG 4.36Å; P312-W314 HydrophobicContact CB-CD2 4.22Å; P312-W314 HydrophobicContact CB-CE3 4.29Å; P312-W314 HydrophobicContact CB-CH2 3.73Å; P312-W314 HydrophobicContact CB-CZ2 3.63Å; P312-W314 HydrophobicContact CB-CZ3 4.05Å; P312-W314 HydrophobicContact CG-CE3 4.42Å; P312-W314 HydrophobicContact CG-CH2 3.23Å; P312-W314 HydrophobicContact CG-CZ2 3.58Å; P312-W314 HydrophobicContact CG-CZ3 3.7Å; W314-H316 HydrophobicContact CB-CB 4Å; W314-H316 PolarHBondContact O-N 2.99Å; W314-V337 HydrophobicContact CH2-CG1 3.82Å; W314-V337 HydrophobicContact CZ2-CG1 4.26Å | ||
| 315 | K | 94.3 | Very high | 90.5 | Very high | 143 Ų | 143 | 59.6 Ų | 59.6 | 62% | 0.622 | 32% | 0.318 | S | S | * | . | trans | 43.8 | 37.8 | -172.8 | -59.7 | 177.7 | -176.8 | 172.1 | 0 | 112.1 | V269 L270 | V269-K315 CarbonylContact O-C 3.59Å; V269-K315 WeakPolarHBondContact O-CA 3.42Å; V269-K315 PolarHBondContact O-N 3.28Å; L270-K315 PolarHBondContact O-N 2.67Å; L270-K315 VanDerWaalsContact O-N 3.12Å | ||
| 316 | H | 95.3 | Very high | 90.1 | Very high | 56 Ų | 56 | 61.1 Ų | 61.1 | 26% | 0.259 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 137.1 | -167.3 | -175.4 | 73.5 | 0 | 0 | 0 | 110.9 | V268 V269 P304 W314 F318 | V268-H316 WeakPolarHBondContact CA-O 3.34Å; V269-H316 PolarHBondContact N-O 3.35Å; V269-H316 PolarHBondContact O-N 2.78Å; P304-H316 WeakPolarHBondContact CD-ND1 3.44Å; W314-H316 HydrophobicContact CB-CB 4Å; W314-H316 PolarHBondContact O-N 2.99Å; H316-F318 AromaticContact CD2-CD1 3.65Å; H316-F318 AromaticContact CD2-CE1 3.24Å; H316-F318 WeakPolarHBondContact CD2-CE1 3.47Å; H316-F318 AromaticContact CD2-CZ 3.89Å; H316-F318 AromaticContact NE2-CD1 3.77Å; H316-F318 AromaticContact NE2-CE1 3.48Å; H316-F318 WeakPolarHBondContact NE2-CE1 3.21Å |
| 317 | S | 96 | Very high | 89.9 | Confident | 71 Ų | 71 | 61.9 Ų | 61.9 | 50% | 0.497 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 127.7 | -175.6 | -60.4 | 0 | 0 | 0 | 0 | 111.5 | L267 | L267-S317 CarbonylContact O-C 3.59Å; L267-S317 WeakPolarHBondContact O-CA 3.41Å |
| 318 | F | 95.9 | Very high | 89.8 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 141.5 | 167.1 | -60.7 | -40.9 | 0 | 0 | 0 | 110 | L267 V269 V287 V301 K302 H316 | L267-F318 HydrophobicContact CB-CB 4.38Å; L267-F318 HydrophobicContact CD2-CD2 4.2Å; L267-F318 PolarHBondContact N-O 2.81Å; L267-F318 PolarHBondContact O-N 3.16Å; V269-F318 HydrophobicContact CG2-CD2 3.93Å; V269-F318 HydrophobicContact CG2-CE2 3.63Å; V287-F318 HydrophobicContact CG1-CE2 4.46Å; V301-F318 HydrophobicContact CB-CB 4.27Å; V301-F318 HydrophobicContact CB-CD1 3.56Å; V301-F318 HydrophobicContact CB-CD2 4.45Å; V301-F318 HydrophobicContact CB-CE1 3.89Å; V301-F318 HydrophobicContact CB-CG 3.86Å; V301-F318 HydrophobicContact CB-CZ 4.48Å; V301-F318 HydrophobicContact CG1-CB 4.44Å; V301-F318 HydrophobicContact CG1-CD1 4.36Å; V301-F318 HydrophobicContact CG2-CB 3.8Å; V301-F318 HydrophobicContact CG2-CD1 3.6Å; V301-F318 HydrophobicContact CG2-CD2 3.58Å; V301-F318 HydrophobicContact CG2-CE1 3.97Å; V301-F318 HydrophobicContact CG2-CE2 3.95Å; V301-F318 HydrophobicContact CG2-CG 3.38Å; V301-F318 HydrophobicContact CG2-CZ 4.14Å; K302-F318 VanDerWaalsContact C-CE1 3.41Å; H316-F318 AromaticContact CD2-CD1 3.65Å; H316-F318 AromaticContact CD2-CE1 3.24Å; H316-F318 WeakPolarHBondContact CD2-CE1 3.47Å; H316-F318 AromaticContact CD2-CZ 3.89Å; H316-F318 AromaticContact NE2-CD1 3.77Å; H316-F318 AromaticContact NE2-CE1 3.48Å; H316-F318 WeakPolarHBondContact NE2-CE1 3.21Å |
| 319 | V | 94.7 | Very high | 89.9 | Confident | 68 Ų | 68 | 53.2 Ų | 53.2 | 41% | 0.412 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 121.8 | 177 | -175.8 | 0 | 0 | 0 | 0 | 108.7 | Q264 N321 | Q264-V319 HydrophobicContact CB-CG1 4.3Å; V319-N321 WeakPolarHBondContact CG1-OD1 3.48Å |
| 320 | F | 92.8 | Very high | 90 | Very high | 5 Ų | 5 | 55.9 Ų | 55.9 | 2% | 0.022 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 111 | 170.6 | -56.6 | -82.5 | 0 | 0 | 0 | 108.6 | Q264 L265 L291 L299 V301 V323 L333 | Q264-F320 WeakPolarHBondContact CA-O 3.27Å; L265-F320 HydrophobicContact CB-CB 4.26Å; L265-F320 HydrophobicContact CB-CD2 4.32Å; L265-F320 HydrophobicContact CD2-CD2 4Å; L265-F320 HydrophobicContact CG-CD2 4.29Å; L265-F320 PolarHBondContact N-O 3.33Å; L265-F320 PolarHBondContact O-N 3.38Å; L291-F320 HydrophobicContact CB-CD1 3.87Å; L291-F320 HydrophobicContact CB-CE1 3.73Å; L291-F320 HydrophobicContact CB-CE2 4.43Å; L291-F320 HydrophobicContact CB-CG 4.28Å; L291-F320 HydrophobicContact CB-CZ 4.01Å; L291-F320 HydrophobicContact CD2-CB 3.91Å; L291-F320 HydrophobicContact CD2-CD1 4.13Å; L291-F320 HydrophobicContact CD2-CD2 4.29Å; L291-F320 HydrophobicContact CD2-CG 3.85Å; L299-F320 HydrophobicContact CB-CD1 3.64Å; L299-F320 HydrophobicContact CB-CE1 3.96Å; L299-F320 HydrophobicContact CD1-CB 4.33Å; L299-F320 HydrophobicContact CD1-CD1 4.15Å; L299-F320 WeakPolarHBondContact O-CE1 3.45Å; V301-F320 HydrophobicContact CG1-CE1 3.94Å; V301-F320 HydrophobicContact CG1-CZ 4.27Å; V301-F320 HydrophobicContact CG2-CE1 3.98Å; V301-F320 HydrophobicContact CG2-CE2 4.44Å; V301-F320 HydrophobicContact CG2-CZ 3.57Å; F320-V323 HydrophobicContact CB-CG1 4.44Å; F320-L333 HydrophobicContact CE2-CD1 4Å; F320-L333 HydrophobicContact CZ-CD1 4.04Å |
| 321 | N | 90.3 | Very high | 90.6 | Very high | 102 Ų | 102 | 54.1 Ų | 54.1 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 154.3 | -179 | -66.5 | -42.6 | 0 | 0 | 0 | 111.6 | Q264 V319 | Q264-N321 PolarHBondContact NE2-OD1 3.21Å; V319-N321 WeakPolarHBondContact CG1-OD1 3.48Å |
| 322 | G | 86.2 | Confident | 90.9 | Very high | 40 Ų | 40 | 52 Ų | 52 | 41% | 0.412 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 73.4 | 30.9 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | G263 | G263-G322 PolarHBondContact O-N 3.08Å |
| 323 | V | 88.1 | Confident | 91 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 124.1 | -178.1 | -65.6 | 0 | 0 | 0 | 0 | 110.2 | G263 L265 L291 L293 L299 F320 L328 | G263-V323 CarbonylContact C-O 3.56Å; G263-V323 VanDerWaalsContact CA-O 3.27Å; G263-V323 WeakPolarHBondContact CA-O 3.2Å; G263-V323 PolarHBondContact N-O 3.2Å; G263-V323 PolarHBondContact O-N 3.06Å; G263-V323 VanDerWaalsContact O-N 3.14Å; L265-V323 HydrophobicContact CB-CG2 4.06Å; L291-V323 HydrophobicContact CD2-CG1 4Å; L293-V323 HydrophobicContact CD2-CG1 4.06Å; L299-V323 HydrophobicContact CD1-CG1 4.25Å; F320-V323 HydrophobicContact CB-CG1 4.44Å; V323-L328 HydrophobicContact CB-CD1 4.4Å; V323-L328 HydrophobicContact CB-CD2 4.12Å; V323-L328 HydrophobicContact CB-CG 4.15Å; V323-L328 HydrophobicContact CG2-CD1 4.01Å; V323-L328 HydrophobicContact CG2-CD2 4.21Å; V323-L328 HydrophobicContact CG2-CG 4.27Å |
| 324 | S | 86.4 | Confident | 91.1 | Very high | 5 Ų | 5 | 48.4 Ų | 48.4 | 4% | 0.035 | 26% | 0.257 | C | S | . | . | trans | -87.4 | 155.3 | 175.7 | 72.6 | 0 | 0 | 0 | 0 | 111.6 | S326 Q327 L328 | S324-S326 PolarHBondContact O-N 3.09Å; S324-S326 PolarHBondContact OG-OG 2.93Å; S324-Q327 PolarHBondContact O-N 2.98Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; S324-Q327 WeakPolarHBondContact OG-CB 3.48Å; S324-Q327 VanDerWaalsContact OG-CG 3.28Å; S324-Q327 WeakPolarHBondContact OG-CG 3.48Å; S324-Q327 PolarHBondContact OG-N 2.8Å; S324-Q327 PolarHBondContact OG-OE1 2.83Å; S324-L328 WeakPolarHBondContact O-CG 3.16Å; S324-L328 PolarHBondContact O-N 2.83Å | ||
| 325 | S | 85.6 | Confident | 91.1 | Very high | 25 Ų | 25 | 47.4 Ų | 47.4 | 18% | 0.175 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.7 | -32.7 | 175.4 | -55.7 | 0 | 0 | 0 | 0 | 112.8 | L244 R329 | L244-S325 WeakPolarHBondContact CD2-OG 3.43Å; S325-R329 WeakPolarHBondContact O-CG 3.41Å; S325-R329 PolarHBondContact O-N 2.98Å |
| 326 | S | 85.8 | Confident | 91.1 | Very high | 70 Ų | 70 | 41.1 Ų | 41.1 | 49% | 0.49 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -70.2 | -42.7 | 177 | 54.1 | 0 | 0 | 0 | 0 | 111.8 | S324 R329 | S324-S326 PolarHBondContact O-N 3.09Å; S324-S326 PolarHBondContact OG-OG 2.93Å; S326-R329 PolarHBondContact O-N 3.15Å |
| 327 | Q | 88.9 | Confident | 91.1 | Very high | 57 Ų | 57 | 38.4 Ų | 38.4 | 27% | 0.266 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.2 | -46.1 | 174 | -73.7 | 170.7 | -39.8 | 0 | 0 | 111.2 | P294 S324 R329 Q330 S331 | P294-Q327 HydrophobicContact CG-CB 4.48Å; S324-Q327 PolarHBondContact O-N 2.98Å; S324-Q327 VanDerWaalsContact O-N 3.16Å; S324-Q327 WeakPolarHBondContact OG-CB 3.48Å; S324-Q327 VanDerWaalsContact OG-CG 3.28Å; S324-Q327 WeakPolarHBondContact OG-CG 3.48Å; S324-Q327 PolarHBondContact OG-N 2.8Å; S324-Q327 PolarHBondContact OG-OE1 2.83Å; Q327-R329 VanDerWaalsContact C-N 3.29Å; Q327-R329 PolarHBondContact O-N 2.92Å; Q327-Q330 CarbonylContact O-C 3.57Å; Q327-Q330 PolarHBondContact O-N 2.94Å; Q327-S331 VanDerWaalsContact C-OG 3.32Å; Q327-S331 PolarHBondContact O-N 3.11Å; Q327-S331 PolarHBondContact O-OG 2.8Å |
| 328 | L | 89.8 | Confident | 91 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -63.1 | -32.7 | -178.5 | -71.4 | 175.3 | 0 | 0 | 0 | 113.4 | L242 L265 L291 V323 S324 Q330 S331 W375 L379 | L242-L328 HydrophobicContact CD1-CD1 3.45Å; L242-L328 VanDerWaalsContact CD1-CD1 3.45Å; L242-L328 HydrophobicContact CD2-CD1 4.13Å; L242-L328 HydrophobicContact CG-CD1 4.37Å; L265-L328 HydrophobicContact CB-CD1 4.47Å; L265-L328 HydrophobicContact CD2-CD2 4.13Å; L291-L328 HydrophobicContact CD1-CD2 4.25Å; L291-L328 HydrophobicContact CD2-CD2 3.97Å; V323-L328 HydrophobicContact CB-CD1 4.4Å; V323-L328 HydrophobicContact CB-CD2 4.12Å; V323-L328 HydrophobicContact CB-CG 4.15Å; V323-L328 HydrophobicContact CG2-CD1 4.01Å; V323-L328 HydrophobicContact CG2-CD2 4.21Å; V323-L328 HydrophobicContact CG2-CG 4.27Å; S324-L328 WeakPolarHBondContact O-CG 3.16Å; S324-L328 PolarHBondContact O-N 2.83Å; L328-Q330 PolarHBondContact O-N 2.69Å; L328-S331 PolarHBondContact O-N 2.82Å; L328-S331 VanDerWaalsContact O-N 3.15Å; L328-W375 HydrophobicContact CB-CZ2 4.39Å; L328-W375 HydrophobicContact CD2-CH2 4.38Å; L328-W375 HydrophobicContact CD2-CZ2 4.2Å; L328-W375 PolarHBondContact O-NE1 3.34Å; L328-W375 VanDerWaalsContact O-NE1 3.14Å; L328-L379 HydrophobicContact CB-CD1 4.39Å; L328-L379 HydrophobicContact CB-CD2 3.7Å; L328-L379 HydrophobicContact CD1-CD2 3.94Å; L328-L379 HydrophobicContact CG-CD2 4.45Å |
| 329 | R | 88.3 | Confident | 90.9 | Very high | 125 Ų | 125 | 37.8 Ų | 37.8 | 47% | 0.472 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -62.8 | -21.4 | 173.4 | -84.1 | -168.9 | -95.2 | -91.8 | 7.7 | 113.6 | S325 S326 Q327 S357 L379 | S325-R329 WeakPolarHBondContact O-CG 3.41Å; S325-R329 PolarHBondContact O-N 2.98Å; S326-R329 PolarHBondContact O-N 3.15Å; Q327-R329 VanDerWaalsContact C-N 3.29Å; Q327-R329 PolarHBondContact O-N 2.92Å; R329-S357 WeakPolarHBondContact O-CB 3.47Å; R329-S357 PolarHBondContact O-OG 2.82Å; R329-L379 HydrophobicContact CG-CD1 3.85Å |
| 330 | Q | 88.3 | Confident | 90.7 | Very high | 137 Ų | 137 | 37.4 Ų | 37.4 | 64% | 0.64 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -111.1 | 3.4 | 177.5 | -67.6 | 178.6 | -5.8 | 0 | 0 | 112.5 | P294 Q327 L328 | P294-Q330 HydrophobicContact CB-CB 4.27Å; P294-Q330 HydrophobicContact CG-CB 3.57Å; Q327-Q330 CarbonylContact O-C 3.57Å; Q327-Q330 PolarHBondContact O-N 2.94Å; L328-Q330 PolarHBondContact O-N 2.69Å |
| 331 | S | 90.9 | Very high | 90.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.007 | 21% | 0.205 | C | C | . | . | trans | -93 | 161.3 | -177.8 | -60.5 | 0 | 0 | 0 | 0 | 112 | T292 L293 Q327 L328 | T292-S331 VanDerWaalsContact O-CA 3.25Å; T292-S331 WeakPolarHBondContact O-CA 3.23Å; T292-S331 VanDerWaalsContact O-CB 3.26Å; T292-S331 WeakPolarHBondContact O-CB 3.43Å; L293-S331 WeakPolarHBondContact CD2-OG 3.38Å; Q327-S331 VanDerWaalsContact C-OG 3.32Å; Q327-S331 PolarHBondContact O-N 3.11Å; Q327-S331 PolarHBondContact O-OG 2.8Å; L328-S331 PolarHBondContact O-N 2.82Å; L328-S331 VanDerWaalsContact O-N 3.15Å | ||
| 332 | T | 92.1 | Very high | 89.7 | Confident | 35 Ų | 35 | 38.4 Ų | 38.4 | 22% | 0.215 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 125.1 | 171.9 | -55.2 | 0 | 0 | 0 | 0 | 109.3 | T292 L355 | T292-T332 PolarHBondContact N-O 3.35Å; T292-T332 PolarHBondContact O-N 2.97Å; T292-T332 VanDerWaalsContact O-N 3.08Å; T332-L355 CarbonylContact C-O 3.56Å; T332-L355 WeakPolarHBondContact CA-O 3.24Å |
| 333 | L | 94.2 | Very high | 88.8 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 119.2 | 170.6 | 174.7 | 65.3 | 0 | 0 | 0 | 109.2 | L267 L291 F320 L335 R354 L355 W375 | L267-L333 HydrophobicContact CD2-CD2 4.01Å; L291-L333 HydrophobicContact CB-CD1 4.37Å; L291-L333 HydrophobicContact CD1-CB 4.13Å; F320-L333 HydrophobicContact CE2-CD1 4Å; F320-L333 HydrophobicContact CZ-CD1 4.04Å; L333-L335 HydrophobicContact CD1-CD2 4.19Å; L333-L335 HydrophobicContact CG-CD2 4.34Å; L333-L335 HydrophobicContact CG-CG 4.39Å; L333-R354 WeakPolarHBondContact O-CA 2.85Å; L333-L355 HydrophobicContact CB-CB 4.32Å; L333-L355 HydrophobicContact CD2-CD1 4.25Å; L333-L355 PolarHBondContact N-O 3.47Å; L333-L355 PolarHBondContact O-N 3.14Å; L333-W375 HydrophobicContact CB-CH2 4.07Å; L333-W375 HydrophobicContact CB-CZ3 4.05Å; L333-W375 HydrophobicContact CD2-CH2 4.43Å; L333-W375 HydrophobicContact CD2-CZ3 3.88Å |
| 334 | E | 94.2 | Very high | 87.5 | Confident | 47 Ų | 47 | 50.3 Ų | 50.3 | 22% | 0.22 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 128.8 | 175.2 | -172.1 | -175.9 | 96.2 | 0 | 0 | 109.3 | G289 C290 T336 E352 R354 | G289-E334 CarbonylContact C-O 3.57Å; G289-E334 WeakPolarHBondContact CA-O 3.49Å; C290-E334 HydrophobicContact CB-CB 4.42Å; C290-E334 PolarHBondContact N-O 3.37Å; C290-E334 PolarHBondContact O-N 3.44Å; E334-T336 HydrophobicContact CG-CG2 4.26Å; E334-E352 HydrophobicContact CG-CG 3.98Å; E334-E352 WeakPolarHBondContact CG-OE1 3.21Å; E334-R354 HydrophobicContact CG-CG 4.27Å; E334-R354 IonicContact OE2-CZ 2.78Å; E334-R354 IonicContact OE2-NE 3.65Å; E334-R354 IonicContact OE2-NH1 3.77Å; E334-R354 PolarHBondContact OE2-NH1 3.06Å; E334-R354 IonicContact OE2-NH2 3.62Å; E334-R354 PolarHBondContact OE2-NH2 2.8Å |
| 335 | L | 95.5 | Very high | 86.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 119.5 | 175.6 | -60.9 | 178.5 | 0 | 0 | 0 | 108.5 | L236 V238 L267 K288 L333 E352 A353 L390 | L236-L335 HydrophobicContact CD2-CB 3.99Å; L236-L335 HydrophobicContact CD2-CD1 3.95Å; V238-L335 HydrophobicContact CG1-CD1 3.99Å; L267-L335 HydrophobicContact CD2-CD1 4.04Å; L267-L335 HydrophobicContact CD2-CD2 3.6Å; L267-L335 HydrophobicContact CD2-CG 4.42Å; K288-L335 WeakPolarHBondContact O-CA 3.22Å; L333-L335 HydrophobicContact CD1-CD2 4.19Å; L333-L335 HydrophobicContact CG-CD2 4.34Å; L333-L335 HydrophobicContact CG-CG 4.39Å; L335-E352 CarbonylContact O-C 3.49Å; L335-E352 WeakPolarHBondContact O-CA 3.39Å; L335-A353 PolarHBondContact N-O 2.74Å; L335-A353 PolarHBondContact O-N 2.82Å; L335-L390 HydrophobicContact CD1-CD1 3.62Å |
| 336 | T | 94.7 | Very high | 86.7 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 7% | 0.067 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 130.9 | 178.6 | 48.4 | 0 | 0 | 0 | 0 | 109.8 | V287 K288 E334 W338 L349 E352 | V287-T336 WeakPolarHBondContact CA-O 3.45Å; K288-T336 PolarHBondContact N-O 2.82Å; K288-T336 PolarHBondContact O-N 2.81Å; K288-T336 PolarHBondContact O-OG1 3.17Å; E334-T336 HydrophobicContact CG-CG2 4.26Å; T336-W338 PolarHBondContact OG1-NE1 2.84Å; T336-L349 HydrophobicContact CG2-CD1 4Å; T336-E352 HydrophobicContact CG2-CB 4.01Å; T336-E352 HydrophobicContact CG2-CG 3.65Å |
| 337 | V | 94.9 | Very high | 86.9 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 130 | 175.5 | -171.1 | 0 | 0 | 0 | 0 | 108.1 | L236 L275 V287 W314 L350 G351 L392 | L236-V337 HydrophobicContact CD1-CG2 4.04Å; L236-V337 HydrophobicContact CD2-CG2 4.28Å; L275-V337 HydrophobicContact CD1-CG1 4.06Å; L275-V337 HydrophobicContact CD2-CG1 4.25Å; V287-V337 HydrophobicContact CG2-CG1 4.49Å; V287-V337 HydrophobicContact CG2-CG2 4.19Å; W314-V337 HydrophobicContact CH2-CG1 3.82Å; W314-V337 HydrophobicContact CZ2-CG1 4.26Å; V337-L350 HydrophobicContact CB-CB 4.37Å; V337-L350 HydrophobicContact CG1-CB 4.35Å; V337-L350 HydrophobicContact CG1-CD1 4.04Å; V337-L350 WeakPolarHBondContact O-CA 3.23Å; V337-L350 WeakPolarHBondContact O-CB 3.38Å; V337-L350 PolarHBondContact O-N 2.88Å; V337-G351 PolarHBondContact N-O 2.85Å; V337-G351 PolarHBondContact O-N 2.83Å; V337-L392 HydrophobicContact CB-CD1 4.32Å; V337-L392 HydrophobicContact CG2-CD1 3.71Å; V337-L392 HydrophobicContact CG2-CD2 3.85Å; V337-L392 HydrophobicContact CG2-CG 4.47Å |
| 338 | W | 94.2 | Very high | 86.9 | Confident | 58 Ų | 58 | 59.5 Ų | 59.5 | 22% | 0.22 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 153.3 | -174.3 | -65.2 | 77.1 | 0 | 0 | 0 | 110.6 | S285 F286 T336 D347 R348 L349 | S285-W338 CarbonylContact C-O 3.59Å; S285-W338 WeakPolarHBondContact CA-O 3.4Å; F286-W338 HydrophobicContact CD1-CB 4.11Å; F286-W338 HydrophobicContact CD2-CB 4.01Å; F286-W338 HydrophobicContact CD2-CG 4.42Å; F286-W338 HydrophobicContact CE1-CB 3.6Å; F286-W338 HydrophobicContact CE1-CG 4.5Å; F286-W338 HydrophobicContact CE2-CB 3.43Å; F286-W338 VanDerWaalsContact CE2-CB 3.43Å; F286-W338 AromaticContact CE2-CD1 3.74Å; F286-W338 AromaticContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CE2-CG 3.61Å; F286-W338 HydrophobicContact CG-CB 4.32Å; F286-W338 HydrophobicContact CZ-CB 3.23Å; F286-W338 HydrophobicContact CZ-CD2 4.38Å; F286-W338 AromaticContact CZ-CG 3.68Å; F286-W338 HydrophobicContact CZ-CG 3.68Å; F286-W338 PolarHBondContact N-O 2.99Å; F286-W338 PolarHBondContact O-N 2.82Å; T336-W338 PolarHBondContact OG1-NE1 2.84Å; W338-D347 HydrophobicContact CE3-CB 3.79Å; W338-D347 HydrophobicContact CZ3-CB 4.38Å; W338-R348 CarbonylContact C-O 3.54Å; W338-R348 WeakPolarHBondContact CA-O 3.44Å; W338-L349 HydrophobicContact CD2-CB 4.43Å; W338-L349 HydrophobicContact CD2-CD1 4.09Å; W338-L349 HydrophobicContact CE3-CB 4.13Å; W338-L349 HydrophobicContact CH2-CB 4.12Å; W338-L349 HydrophobicContact CH2-CD1 4.38Å; W338-L349 HydrophobicContact CZ2-CB 4.42Å; W338-L349 HydrophobicContact CZ2-CD1 3.83Å; W338-L349 HydrophobicContact CZ3-CB 3.98Å |
| 339 | D | 92.1 | Very high | 86.9 | Confident | 5 Ų | 5 | 63.2 Ų | 63.2 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 113.1 | 169.7 | 179.3 | 40 | 0 | 0 | 0 | 109.6 | R278 L283 N284 A341 D347 R348 L350 | R278-D339 VanDerWaalsContact CZ-CG 3.42Å; R278-D339 IonicContact CZ-OD1 2.82Å; R278-D339 IonicContact CZ-OD2 3.97Å; R278-D339 IonicContact NE-OD1 3.45Å; R278-D339 PolarHBondContact NE-OD1 3.34Å; R278-D339 IonicContact NE-OD2 2.7Å; R278-D339 PolarHBondContact NE-OD2 2.86Å; R278-D339 IonicContact NH1-OD1 3.63Å; R278-D339 IonicContact NH2-OD1 3.34Å; R278-D339 PolarHBondContact NH2-OD1 2.95Å; R278-D339 IonicContact NH2-OD2 2.75Å; R278-D339 PolarHBondContact NH2-OD2 2.89Å; L283-D339 HydrophobicContact CD2-CB 3.91Å; N284-D339 PolarHBondContact N-OD1 3.39Å; D339-A341 PolarHBondContact O-N 2.96Å; D339-D347 WeakPolarHBondContact O-CA 3.01Å; D339-R348 HydrophobicContact CB-CB 4.25Å; D339-R348 PolarHBondContact N-O 2.79Å; D339-R348 PolarHBondContact O-N 2.92Å; D339-R348 IonicContact OD2-NE 3.85Å; D339-L350 HydrophobicContact CB-CD1 3.91Å; D339-L350 HydrophobicContact CB-CD2 3.8Å; D339-L350 HydrophobicContact CB-CG 3.85Å |
| 340 | Q | 92 | Very high | 87 | Confident | 60 Ų | 60 | 57.4 Ų | 57.4 | 28% | 0.28 | 31% | 0.306 | S | S | . | . | trans | -68.1 | 115.8 | -179.2 | -179.8 | 173.2 | 60.3 | 0 | 0 | 110 | R278 N284 F286 V305 D347 | R278-Q340 PolarHBondContact NH2-O 2.83Å; N284-Q340 HydrophobicContact CB-CB 3.98Å; N284-Q340 WeakPolarHBondContact CB-O 3.38Å; N284-Q340 VanDerWaalsContact O-CB 3.29Å; N284-Q340 WeakPolarHBondContact O-CB 3.36Å; N284-Q340 PolarHBondContact O-N 2.84Å; F286-Q340 HydrophobicContact CD1-CB 4.01Å; F286-Q340 HydrophobicContact CE1-CB 3.87Å; V305-Q340 HydrophobicContact CG1-CB 3.98Å; Q340-D347 WeakPolarHBondContact CA-OD1 3.36Å | ||
| 341 | A | 84.1 | Confident | 87.1 | Confident | 26 Ų | 26 | 51 Ų | 51 | 22% | 0.215 | 28% | 0.276 | C | S | . | . | trans | -68.1 | 153.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | D339 M345 N346 D347 | D339-A341 PolarHBondContact O-N 2.96Å; A341-M345 HydrophobicContact CB-CB 3.7Å; A341-N346 WeakPolarHBondContact CB-O 3.23Å; A341-D347 PolarHBondContact N-OD1 2.92Å | ||
| 342 | I | 77.5 | Confident | 87.2 | Confident | 102 Ų | 102 | 52.9 Ų | 52.9 | 52% | 0.523 | 29% | 0.285 | S | S | . | . | S | Bend | trans | -90.6 | 130.9 | 175.7 | -61.7 | 170 | 0 | 0 | 0 | 107.1 | ||
| 343 | F | 66.9 | Low | 87.2 | Confident | 198 Ų | 198 | 51.4 Ų | 51.4 | 87% | 0.868 | 28% | 0.276 | S | S | * | . | S | Bend | trans | 48.6 | 94.5 | 173.6 | -68.5 | -68 | 0 | 0 | 0 | 116.5 | M345 | F343-M345 PolarHBondContact O-N 2.9Š|
| 344 | G | 60.7 | Low | 87 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 96% | 0.959 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 68.8 | -2.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||
| 345 | M | 74 | Confident | 86.8 | Confident | 113 Ų | 113 | 54.7 Ų | 54.7 | 56% | 0.557 | 29% | 0.287 | S | S | * | . | S | Bend | trans | -86.2 | 160.1 | 173.9 | -64.3 | -177.6 | 74.6 | 0 | 0 | 111.1 | A341 F343 | A341-M345 HydrophobicContact CB-CB 3.7Å; F343-M345 PolarHBondContact O-N 2.9Å |
| 346 | N | 82.4 | Confident | 86.3 | Confident | 137 Ų | 137 | 55 Ų | 55 | 73% | 0.733 | 29% | 0.289 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 140.7 | 175.5 | -66.8 | -43.1 | 0 | 0 | 0 | 111.2 | A341 | A341-N346 WeakPolarHBondContact CB-O 3.23Š|
| 347 | D | 89.3 | Confident | 85.2 | Confident | 53 Ų | 53 | 56.6 Ų | 56.6 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 137.9 | 170.8 | -65.6 | -18.7 | 0 | 0 | 0 | 110.4 | F286 W338 D339 Q340 A341 | F286-D347 HydrophobicContact CZ-CB 4.35Å; F286-D347 VanDerWaalsContact CZ-OD2 3.25Å; F286-D347 WeakPolarHBondContact CZ-OD2 3.31Å; W338-D347 HydrophobicContact CE3-CB 3.79Å; W338-D347 HydrophobicContact CZ3-CB 4.38Å; D339-D347 WeakPolarHBondContact O-CA 3.01Å; Q340-D347 WeakPolarHBondContact CA-OD1 3.36Å; A341-D347 PolarHBondContact N-OD1 2.92Å |
| 348 | R | 88.7 | Confident | 83.8 | Confident | 46 Ų | 46 | 64.9 Ų | 64.9 | 17% | 0.174 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 122.6 | 179.3 | 175.8 | 176.6 | 77.1 | 164.7 | 10.8 | 109.6 | D139 S141 P276 V277 W338 D339 L350 | D139-R348 IonicContact OD1-NH1 3.81Å; D139-R348 PolarHBondContact OD1-NH1 3.18Å; D139-R348 IonicContact OD2-CZ 2.88Å; D139-R348 IonicContact OD2-NH1 3.37Å; D139-R348 PolarHBondContact OD2-NH1 2.96Å; S141-R348 PolarHBondContact OG-NH1 3.23Å; S141-R348 VanDerWaalsContact OG-NH1 3.09Å; P276-R348 PolarHBondContact O-NH2 3.02Å; V277-R348 PolarHBondContact O-NH2 3.09Å; W338-R348 CarbonylContact C-O 3.54Å; W338-R348 WeakPolarHBondContact CA-O 3.44Å; D339-R348 HydrophobicContact CB-CB 4.25Å; D339-R348 PolarHBondContact N-O 2.79Å; D339-R348 PolarHBondContact O-N 2.92Å; D339-R348 IonicContact OD2-NE 3.85Å; R348-L350 PolarHBondContact O-N 2.97Å |
| 349 | L | 90.5 | Very high | 81.8 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 41% | 0.414 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.7 | 124.8 | 168.8 | -179.5 | 67.6 | 0 | 0 | 0 | 108.5 | T336 W338 | T336-L349 HydrophobicContact CG2-CD1 4Å; W338-L349 HydrophobicContact CD2-CB 4.43Å; W338-L349 HydrophobicContact CD2-CD1 4.09Å; W338-L349 HydrophobicContact CE3-CB 4.13Å; W338-L349 HydrophobicContact CH2-CB 4.12Å; W338-L349 HydrophobicContact CH2-CD1 4.38Å; W338-L349 HydrophobicContact CZ2-CB 4.42Å; W338-L349 HydrophobicContact CZ2-CD1 3.83Å; W338-L349 HydrophobicContact CZ3-CB 3.98Å |
| 350 | L | 89.3 | Confident | 79.7 | Confident | 3 Ų | 3 | 66 Ų | 66 | 2% | 0.016 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | -33.4 | 177.1 | -63.4 | 176.8 | 0 | 0 | 0 | 111.6 | N233 L275 P276 L283 V337 D339 R348 | N233-L350 WeakPolarHBondContact CB-O 3.5Å; L275-L350 HydrophobicContact CD1-CD1 4.23Å; P276-L350 HydrophobicContact CG-CB 4.32Å; P276-L350 HydrophobicContact CG-CD2 3.99Å; P276-L350 VanDerWaalsContact O-CD2 3.31Å; P276-L350 WeakPolarHBondContact O-CD2 3.1Å; L283-L350 HydrophobicContact CD1-CD1 3.67Å; L283-L350 HydrophobicContact CD2-CD1 4.07Å; L283-L350 HydrophobicContact CD2-CD2 3.99Å; L283-L350 HydrophobicContact CG-CD1 4.41Å; V337-L350 HydrophobicContact CB-CB 4.37Å; V337-L350 HydrophobicContact CG1-CB 4.35Å; V337-L350 HydrophobicContact CG1-CD1 4.04Å; V337-L350 WeakPolarHBondContact O-CA 3.23Å; V337-L350 WeakPolarHBondContact O-CB 3.38Å; V337-L350 PolarHBondContact O-N 2.88Å; D339-L350 HydrophobicContact CB-CD1 3.91Å; D339-L350 HydrophobicContact CB-CD2 3.8Å; D339-L350 HydrophobicContact CB-CG 3.85Å; R348-L350 PolarHBondContact O-N 2.97Å |
| 351 | G | 90.1 | Very high | 77.2 | Confident | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.01 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.9 | 169.4 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | V337 H393 | V337-G351 PolarHBondContact N-O 2.85Å; V337-G351 PolarHBondContact O-N 2.83Å; G351-H393 CarbonylContact C-O 3.5Å; G351-H393 WeakPolarHBondContact CA-O 3.17Å |
| 352 | E | 93 | Very high | 74.9 | Confident | 42 Ų | 42 | 72 Ų | 72 | 20% | 0.196 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.8 | 141.1 | -173.2 | -175.9 | -176.3 | 145.1 | 0 | 0 | 112.7 | E334 L335 T336 R354 L392 H393 | E334-E352 HydrophobicContact CG-CG 3.98Å; E334-E352 WeakPolarHBondContact CG-OE1 3.21Å; L335-E352 CarbonylContact O-C 3.49Å; L335-E352 WeakPolarHBondContact O-CA 3.39Å; T336-E352 HydrophobicContact CG2-CB 4.01Å; T336-E352 HydrophobicContact CG2-CG 3.65Å; E352-R354 WeakPolarHBondContact OE1-CG 3.37Å; E352-R354 IonicContact OE1-CZ 3.72Å; E352-R354 IonicContact OE1-NE 2.67Å; E352-R354 PolarHBondContact OE1-NE 2.98Å; E352-R354 IonicContact OE1-NH1 3.48Å; E352-R354 IonicContact OE1-NH2 3.28Å; E352-R354 PolarHBondContact OE1-NH2 3.14Å; E352-R354 IonicContact OE2-NH2 3.05Å; E352-L392 WeakPolarHBondContact O-CA 3.35Å; E352-H393 PolarHBondContact N-O 2.89Å; E352-H393 PolarHBondContact O-N 3.14Å |
| 353 | A | 92.1 | Very high | 73.3 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.033 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 138.8 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | L335 L390 L392 | L335-A353 PolarHBondContact N-O 2.74Å; L335-A353 PolarHBondContact O-N 2.82Å; A353-L390 HydrophobicContact CB-CB 3.72Å; A353-L390 HydrophobicContact CB-CD1 3.89Å; A353-L390 HydrophobicContact CB-CG 4.39Å; A353-L392 HydrophobicContact CB-CD2 4.08Å |
| 354 | R | 91.2 | Very high | 72.1 | Confident | 117 Ų | 117 | 63.5 Ų | 63.5 | 44% | 0.442 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 133.1 | 177.1 | -64.3 | 178.7 | -177.8 | -90.1 | -8.8 | 110.4 | L333 E334 E352 S371 | L333-R354 WeakPolarHBondContact O-CA 2.85Å; E334-R354 HydrophobicContact CG-CG 4.27Å; E334-R354 IonicContact OE2-CZ 2.78Å; E334-R354 IonicContact OE2-NE 3.65Å; E334-R354 IonicContact OE2-NH1 3.77Å; E334-R354 PolarHBondContact OE2-NH1 3.06Å; E334-R354 IonicContact OE2-NH2 3.62Å; E334-R354 PolarHBondContact OE2-NH2 2.8Å; E352-R354 WeakPolarHBondContact OE1-CG 3.37Å; E352-R354 IonicContact OE1-CZ 3.72Å; E352-R354 IonicContact OE1-NE 2.67Å; E352-R354 PolarHBondContact OE1-NE 2.98Å; E352-R354 IonicContact OE1-NH1 3.48Å; E352-R354 IonicContact OE1-NH2 3.28Å; E352-R354 PolarHBondContact OE1-NH2 3.14Å; E352-R354 IonicContact OE2-NH2 3.05Å; R354-S371 VanDerWaalsContact O-CB 3.22Å; R354-S371 WeakPolarHBondContact O-CB 3.1Å; R354-S371 PolarHBondContact O-OG 3.06Å |
| 355 | L | 90 | Very high | 71.3 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.005 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 130.8 | 170.7 | -69.9 | 171.7 | 0 | 0 | 0 | 108.4 | T332 L333 S371 Q374 W375 M388 L390 | T332-L355 CarbonylContact C-O 3.56Å; T332-L355 WeakPolarHBondContact CA-O 3.24Å; L333-L355 HydrophobicContact CB-CB 4.32Å; L333-L355 HydrophobicContact CD2-CD1 4.25Å; L333-L355 PolarHBondContact N-O 3.47Å; L333-L355 PolarHBondContact O-N 3.14Å; L355-S371 WeakPolarHBondContact CD2-O 3.25Å; L355-Q374 HydrophobicContact CD2-CB 4.09Å; L355-W375 HydrophobicContact CB-CB 4.43Å; L355-W375 HydrophobicContact CB-CD2 4.27Å; L355-W375 HydrophobicContact CB-CE3 3.76Å; L355-W375 HydrophobicContact CB-CZ3 4.38Å; L355-W375 HydrophobicContact CD1-CE3 4.38Å; L355-M388 HydrophobicContact CD1-CE 3.85Å; L355-M388 HydrophobicContact CD1-SD 4.44Å; L355-L390 HydrophobicContact CD1-CD1 4.05Å; L355-L390 HydrophobicContact CD1-CD2 4.16Å; L355-L390 HydrophobicContact CD2-CD2 3.76Å; L355-L390 HydrophobicContact CG-CD1 4.37Å; L355-L390 HydrophobicContact CG-CD2 4.12Å |
| 356 | G | 85.6 | Confident | 70.2 | Confident | 5 Ų | 5 | 64.5 Ų | 64.5 | 5% | 0.052 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 173.2 | 169.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K372 | G356-K372 WeakPolarHBondContact O-CG 3.44Å |
| 357 | S | 71 | Confident | 68.6 | Low | 46 Ų | 46 | 60.2 Ų | 60.2 | 32% | 0.322 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -77.4 | -34.4 | 179.1 | -176.2 | 0 | 0 | 0 | 0 | 112.3 | R329 G359 K372 | R329-S357 WeakPolarHBondContact O-CB 3.47Å; R329-S357 PolarHBondContact O-OG 2.82Å; S357-G359 PolarHBondContact O-N 3.15Å; S357-K372 WeakPolarHBondContact O-CE 3.36Å |
| 358 | K | 65.6 | Low | 67 | Low | 173 Ų | 173 | 58.6 Ų | 58.6 | 75% | 0.752 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -75.7 | 121.5 | 170.7 | -71.4 | -172.6 | 176.8 | -177.4 | 0 | 108.9 | ||
| 359 | G | 51.9 | Low | 65.8 | Low | 36 Ų | 36 | 59.1 Ų | 59.1 | 37% | 0.371 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 141.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | S357 | S357-G359 PolarHBondContact O-N 3.15Š|
| 360 | G | 48 | Very low | 65.2 | Low | 50 Ų | 50 | 59.9 Ų | 59.9 | 52% | 0.515 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 156.2 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 361 | A | 39.2 | Very low | 64.7 | Low | 100 Ų | 100 | 61.2 Ų | 61.2 | 83% | 0.826 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -46.3 | 142.9 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G363 | A361-G363 PolarHBondContact O-N 3.04Å; A361-G363 VanDerWaalsContact O-N 3.17Å |
| 362 | A | 35.4 | Very low | 64.4 | Low | 113 Ų | 113 | 65 Ų | 65 | 93% | 0.934 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -46.3 | 114 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 363 | G | 44 | Very low | 64 | Low | 68 Ų | 68 | 67.7 Ų | 67.7 | 70% | 0.701 | 43% | 0.433 | S | S | * | . | S | Bend | trans | 178.2 | -27.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | A361 | A361-G363 PolarHBondContact O-N 3.04Å; A361-G363 VanDerWaalsContact O-N 3.17Å |
| 364 | C | 41.6 | Very low | 63.8 | Low | 53 Ų | 53 | 68.1 Ų | 68.1 | 36% | 0.358 | 43% | 0.434 | S | S | . | . | trans | -150.2 | 120.1 | 176.5 | -155.9 | 0 | 0 | 0 | 0 | 111.2 | D366 | C364-D366 PolarHBondContact O-N 3.49Š| ||
| 365 | P | 44.6 | Very low | 63.8 | Low | 110 Ų | 110 | 62.6 Ų | 62.6 | 71% | 0.714 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -25 | -177.2 | 23.7 | -30.8 | 0 | 0 | 0 | 113.3 | ||
| 366 | D | 49.8 | Very low | 63.8 | Low | 118 Ų | 118 | 66.4 Ų | 66.4 | 63% | 0.631 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.2 | -39.8 | -167.9 | -62.2 | -18.7 | 0 | 0 | 0 | 113.6 | C364 S369 Q370 | C364-D366 PolarHBondContact O-N 3.49Å; D366-S369 WeakPolarHBondContact O-CB 3.19Å; D366-S369 PolarHBondContact O-N 3.28Å; D366-S369 PolarHBondContact O-OG 2.81Å; D366-Q370 PolarHBondContact O-N 3.23Å |
| 367 | S | 49.2 | Very low | 64 | Low | 47 Ų | 47 | 72.8 Ų | 72.8 | 33% | 0.329 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -69.8 | -37.4 | -178.4 | 66.7 | 0 | 0 | 0 | 0 | 112.5 | S369 Q370 S371 | S367-S369 PolarHBondContact O-N 2.86Å; S367-Q370 PolarHBondContact O-N 3.15Å; S367-S371 PolarHBondContact O-N 3.39Å |
| 368 | G | 55.8 | Low | 64.9 | Low | 18 Ų | 18 | 70.6 Ų | 70.6 | 19% | 0.186 | 44% | 0.438 | C | S | . | . | H | α-helix | trans | -63.6 | -24.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K372 | G368-K372 WeakPolarHBondContact O-CB 3.5Å; G368-K372 WeakPolarHBondContact O-CD 3.39Å; G368-K372 WeakPolarHBondContact O-CG 3.49Å |
| 369 | S | 64.7 | Low | 66 | Low | 57 Ų | 57 | 62.8 Ų | 62.8 | 40% | 0.399 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -76.7 | -44 | 178.8 | 80.4 | 0 | 0 | 0 | 0 | 111.9 | D366 S367 K372 L373 | D366-S369 WeakPolarHBondContact O-CB 3.19Å; D366-S369 PolarHBondContact O-N 3.28Å; D366-S369 PolarHBondContact O-OG 2.81Å; S367-S369 PolarHBondContact O-N 2.86Å; S369-K372 PolarHBondContact O-N 3.12Å; S369-L373 VanDerWaalsContact O-CG 3.27Å; S369-L373 WeakPolarHBondContact O-CG 3.32Å; S369-L373 PolarHBondContact O-N 2.8Å |
| 370 | Q | 77.1 | Confident | 67.8 | Low | 96 Ų | 96 | 65.3 Ų | 65.3 | 45% | 0.449 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.3 | -46.6 | -176.5 | -168.4 | -175.1 | 41 | 0 | 0 | 111.6 | D366 S367 K372 L373 Q374 | D366-Q370 PolarHBondContact O-N 3.23Å; S367-Q370 PolarHBondContact O-N 3.15Å; Q370-K372 VanDerWaalsContact C-N 3.32Å; Q370-K372 PolarHBondContact O-N 3.03Å; Q370-L373 PolarHBondContact O-N 2.94Å; Q370-Q374 WeakPolarHBondContact O-CB 3.15Å; Q370-Q374 WeakPolarHBondContact O-CG 3.02Å; Q370-Q374 PolarHBondContact O-N 3.24Å |
| 371 | S | 79.5 | Confident | 69.7 | Low | 30 Ų | 30 | 65.1 Ų | 65.1 | 21% | 0.21 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -62 | -38.4 | 178.1 | -67.6 | 0 | 0 | 0 | 0 | 112.8 | R354 L355 S367 W375 | R354-S371 VanDerWaalsContact O-CB 3.22Å; R354-S371 WeakPolarHBondContact O-CB 3.1Å; R354-S371 PolarHBondContact O-OG 3.06Å; L355-S371 WeakPolarHBondContact CD2-O 3.25Å; S367-S371 PolarHBondContact O-N 3.39Å; S371-W375 WeakPolarHBondContact O-CB 3.37Å; S371-W375 PolarHBondContact O-N 3.33Å |
| 372 | K | 82.1 | Confident | 72 | Confident | 80 Ų | 80 | 62.8 Ų | 62.8 | 35% | 0.348 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -64 | -48.6 | 174.1 | -78.9 | 176.9 | -173 | -180 | 0 | 111.5 | G356 S357 G368 S369 Q370 Q374 W375 H376 | G356-K372 WeakPolarHBondContact O-CG 3.44Å; S357-K372 WeakPolarHBondContact O-CE 3.36Å; G368-K372 WeakPolarHBondContact O-CB 3.5Å; G368-K372 WeakPolarHBondContact O-CD 3.39Å; G368-K372 WeakPolarHBondContact O-CG 3.49Å; S369-K372 PolarHBondContact O-N 3.12Å; Q370-K372 VanDerWaalsContact C-N 3.32Å; Q370-K372 PolarHBondContact O-N 3.03Å; K372-Q374 VanDerWaalsContact C-N 3.31Å; K372-Q374 PolarHBondContact O-N 3.34Å; K372-W375 PolarHBondContact O-N 3.26Å; K372-H376 WeakPolarHBondContact O-CB 3.11Å; K372-H376 PolarHBondContact O-CD2 2.81Å; K372-H376 PolarHBondContact O-N 2.94Å |
| 373 | L | 86.4 | Confident | 74.6 | Confident | 99 Ų | 99 | 61 Ų | 61 | 52% | 0.518 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -59.8 | -44.3 | 179.5 | -73.8 | 167.4 | 0 | 0 | 0 | 111.2 | S369 Q370 H376 R377 | S369-L373 VanDerWaalsContact O-CG 3.27Å; S369-L373 WeakPolarHBondContact O-CG 3.32Å; S369-L373 PolarHBondContact O-N 2.8Å; Q370-L373 PolarHBondContact O-N 2.94Å; L373-H376 PolarHBondContact O-N 2.97Å; L373-R377 WeakPolarHBondContact O-CG 3.39Å; L373-R377 PolarHBondContact O-N 3.37Å |
| 374 | Q | 88 | Confident | 76.9 | Confident | 13 Ų | 13 | 63 Ų | 63 | 6% | 0.061 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -60.3 | -47.5 | 175.4 | -80.7 | -178.7 | -1.9 | 0 | 0 | 111.8 | L355 Q370 K372 H376 R377 V378 M388 T389 | L355-Q374 HydrophobicContact CD2-CB 4.09Å; Q370-Q374 WeakPolarHBondContact O-CB 3.15Å; Q370-Q374 WeakPolarHBondContact O-CG 3.02Å; Q370-Q374 PolarHBondContact O-N 3.24Å; K372-Q374 VanDerWaalsContact C-N 3.31Å; K372-Q374 PolarHBondContact O-N 3.34Å; Q374-H376 PolarHBondContact O-N 2.91Å; Q374-R377 PolarHBondContact O-N 3.31Å; Q374-V378 WeakPolarHBondContact O-CG2 3.43Å; Q374-V378 PolarHBondContact O-N 2.96Å; Q374-M388 HydrophobicContact CB-CG 4.24Å; Q374-M388 HydrophobicContact CB-SD 3.6Å; Q374-M388 VanDerWaalsContact CB-SD 3.6Å; Q374-M388 HydrophobicContact CG-CB 4.49Å; Q374-M388 HydrophobicContact CG-CG 4.13Å; Q374-M388 HydrophobicContact CG-SD 4.16Å; Q374-T389 PolarHBondContact NE2-O 3.34Å |
| 375 | W | 90.3 | Very high | 79.4 | Confident | 1 Ų | 1 | 66 Ų | 66 | 0% | 0.004 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.4 | -45.4 | 175.8 | -171.2 | -117.6 | 0 | 0 | 0 | 112.2 | L265 L291 L328 L333 L355 S371 K372 R377 V378 L379 | L265-W375 HydrophobicContact CD2-CH2 3.66Å; L265-W375 HydrophobicContact CD2-CZ3 4.19Å; L291-W375 HydrophobicContact CD1-CH2 4.46Å; L328-W375 HydrophobicContact CB-CZ2 4.39Å; L328-W375 HydrophobicContact CD2-CH2 4.38Å; L328-W375 HydrophobicContact CD2-CZ2 4.2Å; L328-W375 PolarHBondContact O-NE1 3.34Å; L328-W375 VanDerWaalsContact O-NE1 3.14Å; L333-W375 HydrophobicContact CB-CH2 4.07Å; L333-W375 HydrophobicContact CB-CZ3 4.05Å; L333-W375 HydrophobicContact CD2-CH2 4.43Å; L333-W375 HydrophobicContact CD2-CZ3 3.88Å; L355-W375 HydrophobicContact CB-CB 4.43Å; L355-W375 HydrophobicContact CB-CD2 4.27Å; L355-W375 HydrophobicContact CB-CE3 3.76Å; L355-W375 HydrophobicContact CB-CZ3 4.38Å; L355-W375 HydrophobicContact CD1-CE3 4.38Å; S371-W375 WeakPolarHBondContact O-CB 3.37Å; S371-W375 PolarHBondContact O-N 3.33Å; K372-W375 PolarHBondContact O-N 3.26Å; W375-R377 VanDerWaalsContact C-N 3.35Å; W375-R377 PolarHBondContact O-N 3.32Å; W375-V378 PolarHBondContact O-N 3.21Å; W375-L379 HydrophobicContact CZ2-CD2 4.49Å; W375-L379 WeakPolarHBondContact O-CG 3.5Å; W375-L379 PolarHBondContact O-N 2.68Å |
| 376 | H | 89.2 | Confident | 81.7 | Confident | 81 Ų | 81 | 61.8 Ų | 61.8 | 38% | 0.375 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -61.1 | -40.2 | 176.3 | -85.2 | -71.3 | 0 | 0 | 0 | 112.6 | K372 L373 Q374 V378 L379 S380 | K372-H376 WeakPolarHBondContact O-CB 3.11Å; K372-H376 PolarHBondContact O-CD2 2.81Å; K372-H376 PolarHBondContact O-N 2.94Å; L373-H376 PolarHBondContact O-N 2.97Å; Q374-H376 PolarHBondContact O-N 2.91Å; H376-V378 VanDerWaalsContact C-N 3.35Å; H376-V378 PolarHBondContact O-N 3.08Å; H376-L379 PolarHBondContact O-N 2.69Å; H376-S380 WeakPolarHBondContact O-CB 3.14Å; H376-S380 PolarHBondContact O-N 3.45Å; H376-S380 PolarHBondContact O-OG 3.46Å |
| 377 | R | 89.8 | Confident | 83.8 | Confident | 139 Ų | 139 | 60.4 Ų | 60.4 | 53% | 0.525 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.8 | -45.4 | 175.4 | -73.7 | 178.7 | -142.9 | 174.2 | 2.8 | 111.9 | L373 Q374 W375 L379 S380 S381 T386 | L373-R377 WeakPolarHBondContact O-CG 3.39Å; L373-R377 PolarHBondContact O-N 3.37Å; Q374-R377 PolarHBondContact O-N 3.31Å; W375-R377 VanDerWaalsContact C-N 3.35Å; W375-R377 PolarHBondContact O-N 3.32Å; R377-L379 VanDerWaalsContact C-N 3.26Å; R377-L379 PolarHBondContact O-N 2.9Å; R377-S380 PolarHBondContact O-N 3.38Å; R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.05Å; R377-S381 VanDerWaalsContact O-N 3.08Å; R377-T386 HydrophobicContact CB-CG2 4.16Å |
| 378 | V | 90.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -58.4 | -40.1 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.4 | A240 L265 Q374 W375 H376 T386 M388 | A240-V378 HydrophobicContact CB-CG1 3.84Å; A240-V378 HydrophobicContact CB-CG2 3.75Å; L265-V378 HydrophobicContact CD1-CG1 4.16Å; Q374-V378 WeakPolarHBondContact O-CG2 3.43Å; Q374-V378 PolarHBondContact O-N 2.96Å; W375-V378 PolarHBondContact O-N 3.21Å; H376-V378 VanDerWaalsContact C-N 3.35Å; H376-V378 PolarHBondContact O-N 3.08Å; V378-T386 HydrophobicContact CG2-CG2 4.1Å; V378-M388 HydrophobicContact CG2-CE 3.84Å; V378-M388 HydrophobicContact CG2-SD 3.72Å |
| 379 | L | 89.5 | Confident | 87.6 | Confident | 10 Ų | 10 | 60.8 Ų | 60.8 | 5% | 0.052 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -79.6 | -30.6 | -178.5 | -60.3 | -176.8 | 0 | 0 | 0 | 113.7 | L242 L328 R329 W375 H376 R377 | L242-L379 HydrophobicContact CD2-CD2 4.02Å; L328-L379 HydrophobicContact CB-CD1 4.39Å; L328-L379 HydrophobicContact CB-CD2 3.7Å; L328-L379 HydrophobicContact CD1-CD2 3.94Å; L328-L379 HydrophobicContact CG-CD2 4.45Å; R329-L379 HydrophobicContact CG-CD1 3.85Å; W375-L379 HydrophobicContact CZ2-CD2 4.49Å; W375-L379 WeakPolarHBondContact O-CG 3.5Å; W375-L379 PolarHBondContact O-N 2.68Å; H376-L379 PolarHBondContact O-N 2.69Å; R377-L379 VanDerWaalsContact C-N 3.26Å; R377-L379 PolarHBondContact O-N 2.9Å |
| 380 | S | 88.5 | Confident | 88.9 | Confident | 89 Ų | 89 | 58.3 Ų | 58.3 | 62% | 0.622 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -82.1 | -17.2 | -179.7 | -64.3 | 0 | 0 | 0 | 0 | 113.2 | H376 R377 P382 | H376-S380 WeakPolarHBondContact O-CB 3.14Å; H376-S380 PolarHBondContact O-N 3.45Å; H376-S380 PolarHBondContact O-OG 3.46Å; R377-S380 PolarHBondContact O-N 3.38Å; S380-P382 WeakPolarHBondContact O-CD 3.29Å |
| 381 | S | 88.5 | Confident | 89.4 | Confident | 46 Ų | 46 | 56 Ų | 56 | 32% | 0.322 | 29% | 0.292 | S | S | . | . | S | Bend | trans | -115.8 | 65.3 | 178.3 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | R377 L384 | R377-S381 WeakPolarHBondContact O-CB 3.46Å; R377-S381 PolarHBondContact O-N 3.05Å; R377-S381 VanDerWaalsContact O-N 3.08Å; S381-L384 PolarHBondContact O-N 3.23Å |
| 382 | P | 87.5 | Confident | 89.8 | Confident | 51 Ų | 51 | 54.6 Ų | 54.6 | 33% | 0.331 | 28% | 0.282 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | 148.8 | 178.1 | 28.3 | -35.1 | 0 | 0 | 0 | 110.5 | L244 S380 L384 | L244-P382 HydrophobicContact CD1-CB 3.81Å; L244-P382 HydrophobicContact CD1-CG 4.43Å; L244-P382 HydrophobicContact CG-CB 4.25Å; S380-P382 WeakPolarHBondContact O-CD 3.29Å; P382-L384 PolarHBondContact O-N 2.96Å; P382-L384 VanDerWaalsContact O-N 3.1Å |
| 383 | N | 89.6 | Confident | 89.8 | Confident | 75 Ų | 75 | 54.8 Ų | 54.8 | 40% | 0.401 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.4 | 1.7 | -177.4 | -57.7 | -47.1 | 0 | 0 | 0 | 115.8 | K241 L242 V243 L244 | K241-N383 VanDerWaalsContact CE-C 3.44Å; K241-N383 WeakPolarHBondContact CE-O 3.11Å; K241-N383 PolarHBondContact NZ-O 3.45Å; L242-N383 PolarHBondContact O-N 3.27Å; V243-N383 WeakPolarHBondContact CA-OD1 3.3Å; L244-N383 PolarHBondContact N-OD1 2.74Å |
| 384 | L | 92.9 | Very high | 90 | Very high | 109 Ų | 109 | 52.6 Ų | 52.6 | 57% | 0.571 | 27% | 0.273 | S | S | * | . | S | Bend | trans | -107.1 | 148 | 174.5 | -64.6 | 172.3 | 0 | 0 | 0 | 111.2 | S381 P382 | S381-L384 PolarHBondContact O-N 3.23Å; P382-L384 PolarHBondContact O-N 2.96Å; P382-L384 VanDerWaalsContact O-N 3.1Å |
| 385 | W | 93.6 | Very high | 90.1 | Very high | 118 Ų | 118 | 54.6 Ų | 54.6 | 45% | 0.447 | 28% | 0.284 | S | S | . | . | trans | -82.9 | 133.6 | 173 | -72.6 | 112.5 | 0 | 0 | 0 | 110.1 | R239 K241 C266 V268 | R239-W385 HydrophobicContact CG-CB 4.01Å; R239-W385 HydrophobicContact CG-CD2 3.89Å; R239-W385 HydrophobicContact CG-CE3 3.32Å; R239-W385 HydrophobicContact CG-CG 4.23Å; R239-W385 HydrophobicContact CG-CZ3 3.96Å; K241-W385 HydrophobicContact CB-CD2 3.68Å; K241-W385 HydrophobicContact CB-CE3 3.27Å; K241-W385 HydrophobicContact CB-CG 4.38Å; K241-W385 HydrophobicContact CB-CH2 4.21Å; K241-W385 HydrophobicContact CB-CZ2 4.49Å; K241-W385 HydrophobicContact CB-CZ3 3.59Å; K241-W385 HydrophobicContact CD-CD2 3.81Å; K241-W385 HydrophobicContact CD-CE3 4.26Å; K241-W385 HydrophobicContact CD-CG 4.17Å; K241-W385 HydrophobicContact CD-CZ2 4.13Å; K241-W385 HydrophobicContact CG-CD2 4.38Å; K241-W385 HydrophobicContact CG-CE3 4.39Å; C266-W385 HydrophobicContact CB-CH2 3.96Å; C266-W385 HydrophobicContact CB-CZ3 4.2Å; V268-W385 HydrophobicContact CG2-CH2 3.66Å; V268-W385 HydrophobicContact CG2-CZ3 3.82Å | ||
| 386 | T | 93.6 | Very high | 90.1 | Very high | 20 Ų | 20 | 57.6 Ų | 57.6 | 12% | 0.123 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 122.9 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 109.4 | R239 A240 R377 V378 M388 | R239-T386 CarbonylContact C-O 3.59Å; R239-T386 VanDerWaalsContact CA-O 3.32Å; R239-T386 WeakPolarHBondContact CA-O 3.38Å; A240-T386 PolarHBondContact N-O 2.77Å; A240-T386 PolarHBondContact O-N 2.8Å; R377-T386 HydrophobicContact CB-CG2 4.16Å; V378-T386 HydrophobicContact CG2-CG2 4.1Å; T386-M388 HydrophobicContact CG2-CG 4.09Å; T386-M388 HydrophobicContact CG2-SD 4.4Å |
| 387 | D | 93.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 56.2 Ų | 56.2 | 48% | 0.481 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 136.3 | 178 | -69.9 | 2.8 | 0 | 0 | 0 | 110.2 | R239 | R239-D387 WeakPolarHBondContact CB-OD1 3.42Å; R239-D387 WeakPolarHBondContact CD-OD1 3.15Å; R239-D387 WeakPolarHBondContact CG-OD1 3.43Å; R239-D387 IonicContact CZ-OD1 3.43Å; R239-D387 IonicContact CZ-OD2 3.64Å; R239-D387 IonicContact NE-OD1 2.64Å; R239-D387 PolarHBondContact NE-OD1 2.75Å; R239-D387 IonicContact NE-OD2 3.61Å; R239-D387 IonicContact NH2-OD1 3.38Å; R239-D387 PolarHBondContact NH2-OD1 2.75Å; R239-D387 IonicContact NH2-OD2 2.8Å; R239-D387 PolarHBondContact NH2-OD2 3.21Å |
| 388 | M | 92.6 | Very high | 90.2 | Very high | 8 Ų | 8 | 51.1 Ų | 51.1 | 4% | 0.039 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143 | 140 | -174.6 | -56 | 177.6 | -63.7 | 0 | 0 | 110.2 | V238 A240 L355 Q374 V378 T386 L390 | V238-M388 HydrophobicContact CG2-CB 3.96Å; V238-M388 HydrophobicContact CG2-CE 3.77Å; V238-M388 PolarHBondContact N-O 2.66Å; V238-M388 PolarHBondContact O-N 3Å; A240-M388 HydrophobicContact CB-CE 3.67Å; L355-M388 HydrophobicContact CD1-CE 3.85Å; L355-M388 HydrophobicContact CD1-SD 4.44Å; Q374-M388 HydrophobicContact CB-CG 4.24Å; Q374-M388 HydrophobicContact CB-SD 3.6Å; Q374-M388 VanDerWaalsContact CB-SD 3.6Å; Q374-M388 HydrophobicContact CG-CB 4.49Å; Q374-M388 HydrophobicContact CG-CG 4.13Å; Q374-M388 HydrophobicContact CG-SD 4.16Å; V378-M388 HydrophobicContact CG2-CE 3.84Å; V378-M388 HydrophobicContact CG2-SD 3.72Å; T386-M388 HydrophobicContact CG2-CG 4.09Å; T386-M388 HydrophobicContact CG2-SD 4.4Å; M388-L390 HydrophobicContact CB-CD2 4.38Å |
| 389 | T | 91.9 | Very high | 90.1 | Very high | 65 Ų | 65 | 54.5 Ų | 54.5 | 40% | 0.399 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 122.5 | 166.9 | -56.7 | 0 | 0 | 0 | 0 | 107.3 | E235 Q374 | E235-T389 HydrophobicContact CB-CG2 3.89Å; E235-T389 HydrophobicContact CG-CG2 4.23Å; Q374-T389 PolarHBondContact NE2-O 3.34Å |
| 390 | L | 91.1 | Very high | 90.2 | Very high | 4 Ų | 4 | 57.6 Ų | 57.6 | 2% | 0.021 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 129.7 | -178.6 | -52 | 178.1 | 0 | 0 | 0 | 109.2 | E235 L236 V238 L335 A353 L355 M388 | E235-L390 CarbonylContact C-O 3.59Å; E235-L390 VanDerWaalsContact CA-O 3.29Å; E235-L390 WeakPolarHBondContact CA-O 3.34Å; L236-L390 HydrophobicContact CB-CB 4.43Å; L236-L390 PolarHBondContact N-O 2.64Å; L236-L390 PolarHBondContact O-N 3.04Å; V238-L390 HydrophobicContact CG1-CD1 4.34Å; V238-L390 HydrophobicContact CG2-CD1 3.87Å; V238-L390 HydrophobicContact CG2-CG 4.11Å; L335-L390 HydrophobicContact CD1-CD1 3.62Å; A353-L390 HydrophobicContact CB-CB 3.72Å; A353-L390 HydrophobicContact CB-CD1 3.89Å; A353-L390 HydrophobicContact CB-CG 4.39Å; L355-L390 HydrophobicContact CD1-CD1 4.05Å; L355-L390 HydrophobicContact CD1-CD2 4.16Å; L355-L390 HydrophobicContact CD2-CD2 3.76Å; L355-L390 HydrophobicContact CG-CD1 4.37Å; L355-L390 HydrophobicContact CG-CD2 4.12Å; M388-L390 HydrophobicContact CB-CD2 4.38Å |
| 391 | V | 88.7 | Confident | 90.3 | Very high | 48 Ų | 48 | 55.2 Ų | 55.2 | 29% | 0.291 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 130.5 | 168.8 | -178.6 | 0 | 0 | 0 | 0 | 108.2 | N232 | N232-V391 HydrophobicContact CB-CG1 4.43Å |
| 392 | L | 88 | Confident | 90.5 | Very high | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 29% | 0.291 | C | S | . | . | trans | -88.4 | 128.9 | 174.8 | -64.1 | 170 | 0 | 0 | 0 | 108.6 | N233 G234 L236 L275 V337 E352 A353 | N233-L392 HydrophobicContact CB-CB 4.14Å; N233-L392 PolarHBondContact N-O 3.19Å; G234-L392 WeakPolarHBondContact O-CB 3.27Å; G234-L392 PolarHBondContact O-N 3.46Å; L236-L392 HydrophobicContact CB-CD1 4.27Å; L236-L392 HydrophobicContact CB-CD2 4.01Å; L236-L392 HydrophobicContact CB-CG 4.16Å; L236-L392 HydrophobicContact CD2-CD2 4.47Å; L275-L392 HydrophobicContact CD2-CD1 3.42Å; L275-L392 VanDerWaalsContact CD2-CD1 3.42Å; V337-L392 HydrophobicContact CB-CD1 4.32Å; V337-L392 HydrophobicContact CG2-CD1 3.71Å; V337-L392 HydrophobicContact CG2-CD2 3.85Å; V337-L392 HydrophobicContact CG2-CG 4.47Å; E352-L392 WeakPolarHBondContact O-CA 3.35Å; A353-L392 HydrophobicContact CB-CD2 4.08Å | ||
| 393 | H | 82.1 | Confident | 90.7 | Very high | 84 Ų | 84 | 56.5 Ų | 56.5 | 39% | 0.389 | 29% | 0.287 | S | S | . | . | trans | -102 | 0 | 177.1 | -66.3 | -58.4 | 0 | 0 | 0 | 113.4 | Q231 N233 G351 E352 | Q231-H393 WeakPolarHBondContact O-CA 3.45Å; Q231-H393 PolarHBondContact O-ND1 2.83Å; N233-H393 PolarHBondContact ND2-O 3.1Å; N233-H393 VanDerWaalsContact ND2-O 3.09Å; N233-H393 PolarHBondContact ND2-OXT 3.44Å; G351-H393 CarbonylContact C-O 3.5Å; G351-H393 WeakPolarHBondContact CA-O 3.17Å; E352-H393 PolarHBondContact N-O 2.89Å; E352-H393 PolarHBondContact O-N 3.14Å |
Retrieved 393 of 393 residues in 879.3 ms
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