| 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 | 30.5 | Very low | 32.8 | Very low | 230 Ų | 230 | 146.7 Ų | 146.7 | 100% | 1.133 | 76% | 0.758 | S | S | * | * | 0 | 96.3 | 0 | -70.4 | 170.6 | -178.5 | 0 | 0 | 106 | |||||
| 2 | T | 31 | Very low | 33.1 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | 76.1 | 127.5 | 87.9 | 51.4 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 3 | S | 29.8 | Very low | 33.1 | Very low | 101 Ų | 101 | 143.1 Ų | 143.1 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | cis | -176.1 | 170.3 | 0.5 | 43.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 4 | V | 34.1 | Very low | 33.1 | Very low | 121 Ų | 121 | 144.5 Ų | 144.5 | 73% | 0.733 | 76% | 0.764 | S | S | * | * | trans | 75.7 | 116.7 | 168.3 | -170.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 5 | V | 33.7 | Very low | 32.9 | Very low | 123 Ų | 123 | 149.4 Ų | 149.4 | 75% | 0.745 | 77% | 0.77 | S | S | * | * | cis | 93 | 113 | 29 | 179.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 6 | N | 33 | Very low | 32.9 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 67% | 0.674 | 78% | 0.775 | S | S | * | * | trans | 157.4 | 143.5 | 147.9 | -91.7 | -60 | 0 | 0 | 0 | 109.5 | ||||
| 7 | R | 33.9 | Very low | 32.8 | Very low | 196 Ų | 196 | 141.8 Ų | 141.8 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | cis | -167.6 | 169.3 | -11.4 | -157.5 | 178.6 | 178 | 130.2 | -4.7 | 110.1 | E9 | R7-E9 IonicContact NE-OE1 2.77Š| ||
| 8 | S | 33.7 | Very low | 32.8 | Very low | 93 Ų | 93 | 141.4 Ų | 141.4 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | trans | 67.2 | 138.1 | 152.4 | 48.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 9 | E | 33.3 | Very low | 32.7 | Very low | 134 Ų | 134 | 142.3 Ų | 142.3 | 63% | 0.626 | 78% | 0.777 | S | S | * | * | cis | -171.7 | 176.1 | -16.8 | -119.6 | 145 | -125.3 | 0 | 0 | 111.1 | R7 | R7-E9 IonicContact NE-OE1 2.77Š| ||
| 10 | Y | 34.8 | Very low | 32.7 | Very low | 203 Ų | 203 | 138.3 Ų | 138.3 | 80% | 0.796 | 77% | 0.77 | S | S | * | * | trans | 72.4 | 151.2 | 172.7 | -65.9 | -82.3 | 0 | 0 | 0 | 119.9 | ||||
| 11 | E | 32.7 | Very low | 32.4 | Very low | 156 Ų | 156 | 138.2 Ų | 138.2 | 73% | 0.729 | 77% | 0.773 | S | S | * | * | 178.7 | 122 | -65.6 | -100.2 | -160.8 | 156.5 | 0 | 0 | 109.9 | |||||
| 12 | S | 37.1 | Very low | 32.4 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 171.4 | 113 | 148 | 27.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 13 | N | 32.1 | Very low | 32.2 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 68% | 0.684 | 76% | 0.76 | S | S | * | * | 71.6 | 93.9 | 56.4 | -70.1 | -35 | 0 | 0 | 0 | 115 | |||||
| 14 | L | 33.4 | Very low | 32.3 | Very low | 163 Ų | 163 | 131.6 Ų | 131.6 | 85% | 0.853 | 76% | 0.76 | S | S | * | * | 161.4 | 108.2 | 127.9 | -83.3 | 160.2 | 0 | 0 | 0 | 108 | |||||
| 15 | Y | 30.2 | Very low | 32 | Very low | 218 Ų | 218 | 134.6 Ų | 134.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | 81.8 | 139.5 | 73.1 | -103 | -92.2 | 0 | 0 | 0 | 115.9 | |||||
| 16 | A | 33.9 | Very low | 32 | Very low | 102 Ų | 102 | 136.4 Ų | 136.4 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 66.2 | 125.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 17 | G | 30.7 | Very low | 31.7 | Very low | 68 Ų | 68 | 134.6 Ų | 134.6 | 70% | 0.701 | 77% | 0.773 | S | S | * | * | cis | 118.5 | 167.5 | -3.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 18 | V | 33.2 | Very low | 31.8 | Very low | 134 Ų | 134 | 131.2 Ų | 131.2 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | trans | 74.9 | 111.3 | -170.5 | -168.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 19 | N | 29.9 | Very low | 31.8 | Very low | 159 Ų | 159 | 130.7 Ų | 130.7 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | 77.6 | 144.4 | 52.4 | -63.9 | -17.1 | 0 | 0 | 0 | 114 | |||||
| 20 | G | 32.4 | Very low | 31.7 | Very low | 62 Ų | 62 | 131.9 Ų | 131.9 | 64% | 0.639 | 78% | 0.783 | S | S | * | * | trans | 100.2 | 112.3 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 21 | T | 27.3 | Very low | 31.6 | Very low | 136 Ų | 136 | 129 Ų | 129 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | cis | 58.1 | 151.5 | 12.8 | 38.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 22 | V | 30.3 | Very low | 31.6 | Very low | 134 Ų | 134 | 125.5 Ų | 125.5 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | trans | 84.9 | 84.4 | 179.7 | -167.6 | 0 | 0 | 0 | 0 | 116 | ||||
| 23 | S | 27.3 | Very low | 31.3 | Very low | 121 Ų | 121 | 123.3 Ų | 123.3 | 85% | 0.846 | 76% | 0.757 | S | S | * | * | 6.7 | 128.7 | 128 | -40.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 24 | G | 32.2 | Very low | 31.1 | Very low | 68 Ų | 68 | 123.2 Ų | 123.2 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 174.5 | 114.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 25 | Q | 27.3 | Very low | 31 | Very low | 185 Ų | 185 | 121.2 Ų | 121.2 | 86% | 0.864 | 76% | 0.755 | S | S | * | * | cis | 69.6 | 131.1 | 38.8 | -157.2 | 178.3 | 9.2 | 0 | 0 | 112.1 | ||||
| 26 | L | 32.6 | Very low | 31 | Very low | 161 Ų | 161 | 116.3 Ų | 116.3 | 84% | 0.843 | 75% | 0.753 | S | S | * | * | trans | 76 | 122.7 | -159.5 | -51.8 | 162.4 | 0 | 0 | 0 | 110.4 | ||||
| 27 | A | 27.8 | Very low | 30.8 | Very low | 87 Ų | 87 | 114.4 Ų | 114.4 | 72% | 0.719 | 74% | 0.743 | S | S | * | * | cis | 64 | 144.1 | 11.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 28 | P | 34.6 | Very low | 30.8 | Very low | 126 Ų | 126 | 118.9 Ų | 118.9 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | cis | -121 | -129.9 | -2.2 | 41.5 | -24.2 | 0 | 0 | 0 | 110.7 | ||||
| 29 | A | 34.4 | Very low | 30.7 | Very low | 81 Ų | 81 | 120.6 Ų | 120.6 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | 71.6 | 144.1 | 179.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 30 | E | 31 | Very low | 30.6 | Very low | 159 Ų | 159 | 119.3 Ų | 119.3 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | cis | 164.1 | 149 | -28.1 | -104.7 | 162.9 | 174.9 | 0 | 0 | 106 | ||||
| 31 | N | 33.9 | Very low | 30.4 | Very low | 142 Ų | 142 | 119.9 Ų | 119.9 | 76% | 0.759 | 75% | 0.751 | S | S | * | * | trans | 66 | 156 | 177.4 | -31.2 | -57 | 0 | 0 | 0 | 114.4 | ||||
| 32 | D | 31.1 | Very low | 30.5 | Very low | 84 Ų | 84 | 117.7 Ų | 117.7 | 45% | 0.449 | 74% | 0.741 | S | S | . | * | cis | -170.5 | 172.4 | -35.1 | -109.9 | -59.5 | 0 | 0 | 0 | 106 | V257 | D32-V257 WeakPolarHBondContact OD2-CG2 3.05Š| ||
| 33 | A | 30.8 | Very low | 30.5 | Very low | 72 Ų | 72 | 119.2 Ų | 119.2 | 60% | 0.595 | 74% | 0.743 | S | S | * | * | trans | 68.2 | 122.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 34 | T | 29.6 | Very low | 30.7 | Very low | 125 Ų | 125 | 117.2 Ų | 117.2 | 77% | 0.767 | 73% | 0.734 | S | S | * | * | cis | 60.2 | 159.6 | 13.3 | 61.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 35 | V | 30.4 | Very low | 30.5 | Very low | 122 Ų | 122 | 121.6 Ų | 121.6 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 72 | 110.3 | -161.9 | -168.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 36 | S | 30.8 | Very low | 30.7 | Very low | 114 Ų | 114 | 116.9 Ų | 116.9 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | cis | 63.8 | 80.8 | 7.6 | 80.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 37 | G | 29.6 | Very low | 30.7 | Very low | 63 Ų | 63 | 113.3 Ų | 113.3 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | trans | -154.5 | 123.1 | 158 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 38 | D | 30 | Very low | 30.8 | Very low | 161 Ų | 161 | 115.3 Ų | 115.3 | 86% | 0.861 | 73% | 0.731 | S | S | * | * | cis | 66.4 | 147.2 | 16.9 | -115.6 | -21.1 | 0 | 0 | 0 | 114.9 | ||||
| 39 | E | 30.9 | Very low | 30.6 | Very low | 170 Ų | 170 | 113.9 Ų | 113.9 | 79% | 0.794 | 72% | 0.724 | S | S | * | * | trans | 60.1 | 95.4 | 177.6 | -55.1 | -158.9 | 132.7 | 0 | 0 | 119.2 | ||||
| 40 | C | 28.1 | Very low | 30.5 | Very low | 132 Ų | 132 | 114.5 Ų | 114.5 | 89% | 0.892 | 72% | 0.723 | S | S | * | * | -112.2 | 108.3 | 106.6 | -75.6 | 0 | 0 | 0 | 0 | 106.3 | |||||
| 41 | A | 29.3 | Very low | 30.5 | Very low | 74 Ų | 74 | 112.3 Ų | 112.3 | 61% | 0.612 | 72% | 0.716 | S | S | * | * | 66.2 | 133.7 | 70 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 42 | S | 28.6 | Very low | 30.4 | Very low | 91 Ų | 91 | 110.6 Ų | 110.6 | 64% | 0.636 | 72% | 0.716 | S | S | * | * | cis | -178.2 | 167.5 | -5 | 50.7 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 43 | I | 30.5 | Very low | 30.5 | Very low | 166 Ų | 166 | 112.3 Ų | 112.3 | 85% | 0.851 | 73% | 0.734 | S | S | * | * | trans | 70.4 | 137.8 | 165.8 | -54.5 | 153.1 | 0 | 0 | 0 | 113.3 | ||||
| 44 | A | 31.9 | Very low | 30.6 | Very low | 79 Ų | 79 | 112.8 Ų | 112.8 | 65% | 0.653 | 75% | 0.746 | S | S | * | * | cis | -126.7 | 165 | -7.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 45 | D | 28.5 | Very low | 30.9 | Very low | 160 Ų | 160 | 111.4 Ų | 111.4 | 86% | 0.856 | 75% | 0.747 | S | S | * | * | cis | 59.6 | 145.2 | 46.2 | -145.8 | -6.4 | 0 | 0 | 0 | 114.6 | ||||
| 46 | A | 31.5 | Very low | 31.3 | Very low | 85 Ų | 85 | 110.5 Ų | 110.5 | 70% | 0.702 | 74% | 0.744 | S | S | * | * | trans | 66.2 | 117.8 | -179.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 47 | A | 30.8 | Very low | 31.2 | Very low | 86 Ų | 86 | 116 Ų | 116 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | 73.1 | 120.1 | 124.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 48 | V | 29.9 | Very low | 31.2 | Very low | 130 Ų | 130 | 119 Ų | 119 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | 78.2 | 112.5 | 123.6 | 175.2 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 49 | S | 30.9 | Very low | 31.4 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 67% | 0.671 | 74% | 0.744 | S | S | * | * | trans | 65.2 | 130.4 | 143.1 | 73.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 50 | S | 32.4 | Very low | 31.2 | Very low | 94 Ų | 94 | 115.1 Ų | 115.1 | 66% | 0.657 | 74% | 0.743 | S | S | * | * | 71.6 | 120.6 | 128.2 | 66.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 51 | D | 31.2 | Very low | 31.2 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 60% | 0.599 | 73% | 0.734 | S | S | * | * | 75.3 | 142.8 | 126.4 | -71.8 | 10.9 | 0 | 0 | 0 | 124.6 | P378 | D51-P378 VanDerWaalsContact OD2-CG 3.24Å; D51-P378 WeakPolarHBondContact OD2-CG 3.29Å | |||
| 52 | S | 32.6 | Very low | 31.1 | Very low | 107 Ų | 107 | 116.3 Ų | 116.3 | 75% | 0.748 | 74% | 0.743 | S | S | * | * | trans | 85.4 | 100.1 | 145.7 | 68.6 | 0 | 0 | 0 | 0 | 121 | ||||
| 53 | S | 32.5 | Very low | 31.1 | Very low | 120 Ų | 120 | 118.1 Ų | 118.1 | 84% | 0.839 | 75% | 0.75 | S | S | * | * | 22.2 | 124.4 | 126.2 | 59 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 54 | G | 32.4 | Very low | 31.2 | Very low | 82 Ų | 82 | 117.7 Ų | 117.7 | 85% | 0.845 | 75% | 0.745 | S | S | * | * | trans | -174.2 | 95.6 | 162.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 55 | A | 36.3 | Very low | 31.2 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 76% | 0.755 | S | S | * | * | trans | -78.1 | -179.8 | 156.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 56 | P | 37.7 | Very low | 31.5 | Very low | 103 Ų | 103 | 120.4 Ų | 120.4 | 67% | 0.669 | 74% | 0.738 | S | S | * | * | cis | -148.6 | -164.7 | 20.4 | 24.4 | 6.2 | 0 | 0 | 0 | 116.9 | ||||
| 57 | W | 29.8 | Very low | 31.5 | Very low | 228 Ų | 228 | 121.6 Ų | 121.6 | 86% | 0.864 | 74% | 0.741 | S | S | * | * | trans | 72.6 | 94.2 | 163.7 | -51 | 98.8 | 0 | 0 | 0 | 121 | ||||
| 58 | V | 29.6 | Very low | 31.6 | Very low | 126 Ų | 126 | 126 Ų | 126 | 76% | 0.764 | 75% | 0.752 | S | S | * | * | 27.3 | 136.5 | 100.7 | -176.2 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 59 | P | 33.2 | Very low | 31.6 | Very low | 105 Ų | 105 | 123.8 Ų | 123.8 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | cis | -137.8 | -162.2 | -8.8 | 40.2 | -19.5 | 0 | 0 | 0 | 115.6 | ||||
| 60 | L | 26.8 | Very low | 31.7 | Very low | 146 Ų | 146 | 122.9 Ų | 122.9 | 76% | 0.764 | 76% | 0.762 | S | S | * | * | trans | 76.8 | 97.4 | 154.3 | -72.8 | 169.1 | 0 | 0 | 0 | 121.4 | ||||
| 61 | T | 28.7 | Very low | 31.8 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 72% | 0.718 | 77% | 0.773 | S | S | * | * | 33.9 | 118.8 | 125.7 | 58.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 62 | S | 26.5 | Very low | 31.9 | Very low | 114 Ų | 114 | 121.3 Ų | 121.3 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -150.6 | 128.2 | 138.2 | -70.8 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 63 | V | 30 | Very low | 32 | Very low | 128 Ų | 128 | 119.7 Ų | 119.7 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | 64.4 | 119.5 | 68.6 | -172.9 | 0 | 0 | 0 | 0 | 109 | |||||
| 64 | E | 32 | Very low | 32 | Very low | 158 Ų | 158 | 122.8 Ų | 122.8 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | -154.2 | 169 | 80.1 | -82.6 | 177.9 | 172.1 | 0 | 0 | 110.1 | |||||
| 65 | Y | 31.3 | Very low | 32 | Very low | 225 Ų | 225 | 125.2 Ų | 125.2 | 88% | 0.882 | 78% | 0.778 | S | S | * | * | cis | -114.3 | 135.5 | 33.2 | -75.9 | -111.2 | 0 | 0 | 0 | 111.6 | ||||
| 66 | S | 34.6 | Very low | 31.8 | Very low | 70 Ų | 70 | 126 Ų | 126 | 49% | 0.49 | 77% | 0.774 | S | S | . | * | cis | 115.9 | 108.9 | 19.6 | 68.6 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 67 | S | 32.3 | Very low | 31.3 | Very low | 110 Ų | 110 | 132.5 Ų | 132.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | -178.3 | 126 | 131 | 34.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 68 | L | 32.2 | Very low | 31.6 | Very low | 179 Ų | 179 | 126.6 Ų | 126.6 | 94% | 0.937 | 78% | 0.776 | S | S | * | * | trans | 33.8 | 115.5 | 134.6 | -50.5 | 168.9 | 0 | 0 | 0 | 116.8 | ||||
| 69 | G | 31.7 | Very low | 31.6 | Very low | 83 Ų | 83 | 125.7 Ų | 125.7 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | cis | 142.6 | 167.3 | 18.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 70 | G | 32.5 | Very low | 31.3 | Very low | 78 Ų | 78 | 125.2 Ų | 125.2 | 80% | 0.804 | 78% | 0.78 | S | S | * | * | cis | -179.3 | 170.1 | -3.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 71 | G | 33.9 | Very low | 31.5 | Very low | 87 Ų | 87 | 122.4 Ų | 122.4 | 90% | 0.897 | 78% | 0.778 | S | S | * | * | trans | 80.7 | 137.8 | -177 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 72 | G | 33.7 | Very low | 31.4 | Very low | 86 Ų | 86 | 123.3 Ų | 123.3 | 89% | 0.887 | 78% | 0.783 | S | S | * | * | cis | 137.1 | 102.5 | -1.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 73 | G | 34 | Very low | 31.6 | Very low | 72 Ų | 72 | 122.9 Ų | 122.9 | 74% | 0.742 | 78% | 0.776 | S | S | * | * | trans | -177.5 | 88 | -173.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 74 | K | 33.3 | Very low | 31.5 | Very low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | 40.3 | 119.1 | 129.6 | -70.9 | 175.9 | 179.4 | 175.2 | 0 | 120.2 | |||||
| 75 | N | 32.8 | Very low | 31.3 | Very low | 132 Ų | 132 | 126 Ų | 126 | 71% | 0.706 | 78% | 0.781 | S | S | * | * | 83 | 137.7 | 120.5 | -61.6 | 7.2 | 0 | 0 | 0 | 121.9 | |||||
| 76 | T | 31.7 | Very low | 31.4 | Very low | 114 Ų | 114 | 119.9 Ų | 119.9 | 70% | 0.699 | 78% | 0.778 | S | S | * | * | trans | 76.8 | 122.1 | 136.2 | 47.8 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 77 | W | 27 | Very low | 31 | Very low | 238 Ų | 238 | 120.9 Ų | 120.9 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | 23.6 | 147.9 | 122.7 | -60 | 79.1 | 0 | 0 | 0 | 119.8 | |||||
| 78 | P | 36.7 | Very low | 31.2 | Very low | 105 Ų | 105 | 121.4 Ų | 121.4 | 68% | 0.682 | 79% | 0.791 | S | S | * | * | cis | -139.1 | -139.1 | -25.5 | 40 | -18.7 | 0 | 0 | 0 | 110.5 | ||||
| 79 | S | 28.8 | Very low | 31.2 | Very low | 107 Ų | 107 | 115.9 Ų | 115.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 1 | 115.8 | 152.6 | -169.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 80 | A | 27.6 | Very low | 31.6 | Very low | 94 Ų | 94 | 117.9 Ų | 117.9 | 78% | 0.777 | 78% | 0.775 | S | S | * | * | trans | 71.9 | 169 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 81 | A | 30 | Very low | 31.7 | Very low | 87 Ų | 87 | 120.2 Ų | 120.2 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | 79.3 | 83.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 82 | T | 27.8 | Very low | 31.9 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 83% | 0.834 | 77% | 0.767 | S | S | * | * | 56.6 | 159 | 110.9 | -40.3 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 83 | V | 29.1 | Very low | 31.8 | Very low | 106 Ų | 106 | 122.5 Ų | 122.5 | 64% | 0.642 | 77% | 0.766 | S | S | * | * | trans | 94.9 | 91.7 | 161.1 | -165 | 0 | 0 | 0 | 0 | 116.3 | T85 | V83-T85 HydrophobicContact CG1-CG2 4.07Š| ||
| 84 | Y | 28.3 | Very low | 31.8 | Very low | 235 Ų | 235 | 122.4 Ų | 122.4 | 92% | 0.922 | 77% | 0.766 | S | S | * | * | S | Bend | -101.3 | 147.7 | 101.1 | -114.8 | -89.6 | 0 | 0 | 0 | 109.3 | |||
| 85 | T | 27.2 | Very low | 31.7 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 71% | 0.706 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -62.5 | 149.6 | -172.4 | 49.4 | 0 | 0 | 0 | 0 | 113.3 | V83 | V83-T85 HydrophobicContact CG1-CG2 4.07Š|
| 86 | A | 33.5 | Very low | 31.6 | Very low | 98 Ų | 98 | 119.3 Ų | 119.3 | 81% | 0.81 | 77% | 0.766 | S | S | * | * | cis | -143.9 | 158.6 | 20.5 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 87 | A | 27.9 | Very low | 31.6 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | trans | -77.9 | 173.6 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | P | 36.6 | Very low | 31.9 | Very low | 120 Ų | 120 | 114.1 Ų | 114.1 | 78% | 0.779 | 76% | 0.764 | S | S | * | * | cis | -137.5 | 175.1 | 15.7 | 43.2 | -25.5 | 0 | 0 | 0 | 117.3 | ||||
| 89 | G | 30.9 | Very low | 31.6 | Very low | 63 Ų | 63 | 115.5 Ų | 115.5 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | -74.5 | -177.3 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 90 | P | 40.9 | Very low | 31.9 | Very low | 125 Ų | 125 | 116.1 Ų | 116.1 | 81% | 0.812 | 77% | 0.772 | S | S | * | * | -148.7 | 176.6 | 67.1 | 41.1 | -23 | 0 | 0 | 0 | 117.3 | |||||
| 91 | T | 34.7 | Very low | 31.9 | Very low | 127 Ų | 127 | 117.9 Ų | 117.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | trans | -55.8 | 172.5 | 153.5 | 54.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 92 | P | 37 | Very low | 31.8 | Very low | 116 Ų | 116 | 124.2 Ų | 124.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | cis | -150.3 | -171.9 | 22.4 | 45.1 | -24.6 | 0 | 0 | 0 | 118.3 | ||||
| 93 | A | 32 | Very low | 31.8 | Very low | 105 Ų | 105 | 125.1 Ų | 125.1 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | 74.8 | 152.1 | 143.3 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 94 | G | 33.2 | Very low | 31.8 | Very low | 71 Ų | 71 | 125.7 Ų | 125.7 | 73% | 0.732 | 79% | 0.789 | S | S | * | * | trans | 111.1 | 102.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 95 | A | 31.5 | Very low | 31.9 | Very low | 96 Ų | 96 | 120.7 Ų | 120.7 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | 63.5 | 122.6 | 61.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 96 | E | 31.3 | Very low | 32.3 | Very low | 156 Ų | 156 | 121.1 Ų | 121.1 | 73% | 0.729 | 78% | 0.784 | S | S | * | * | cis | -159.1 | 163.1 | 12 | -124.8 | -177.9 | 119.7 | 0 | 0 | 112.2 | ||||
| 97 | Q | 32.4 | Very low | 32.3 | Very low | 168 Ų | 168 | 122 Ų | 122 | 79% | 0.785 | 78% | 0.782 | S | S | * | * | trans | 49.6 | 109.5 | 157.4 | -55.5 | 171.1 | 32.2 | 0 | 0 | 117.4 | ||||
| 98 | G | 31.9 | Very low | 32.7 | Very low | 75 Ų | 75 | 122.4 Ų | 122.4 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | 111.5 | 152.9 | 63.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 99 | V | 31.5 | Very low | 32.3 | Very low | 134 Ų | 134 | 128 Ų | 128 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | cis | -149.6 | 143.5 | 3.2 | 173.5 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 100 | P | 33.8 | Very low | 32 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -84.3 | 136.5 | 180 | 33 | -34.4 | 0 | 0 | 0 | 113.3 | ||||
| 101 | C | 29.4 | Very low | 31.3 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -160.2 | 163.9 | 170.3 | -118.7 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 102 | Y | 28.1 | Very low | 30.9 | Very low | 219 Ų | 219 | 132.8 Ų | 132.8 | 86% | 0.859 | 78% | 0.784 | S | S | * | * | trans | -73.1 | 168.8 | 174.2 | -90 | -118.2 | 0 | 0 | 0 | 113.2 | ||||
| 103 | L | 27.3 | Very low | 30.4 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | trans | 105.8 | 141.2 | 161 | -60.8 | 167.4 | 0 | 0 | 0 | 117.4 | ||||
| 104 | P | 29.6 | Very low | 30.1 | Very low | 117 Ų | 117 | 133.9 Ų | 133.9 | 76% | 0.76 | 78% | 0.775 | S | S | * | * | trans | -85.7 | 142.9 | 175.6 | 34.8 | -34.1 | 0 | 0 | 0 | 112.6 | ||||
| 105 | V | 28.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 141.2 Ų | 141.2 | 79% | 0.788 | 78% | 0.782 | S | S | * | * | trans | -139.1 | 108.4 | -178 | -176.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 106 | V | 35.8 | Very low | 29.6 | Very low | 124 Ų | 124 | 141.1 Ų | 141.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | 76.6 | 111.8 | 60.5 | 177.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 107 | P | 34.4 | Very low | 29.9 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -144 | -179.8 | 118 | 41.4 | -28.6 | 0 | 0 | 0 | 112.7 | |||||
| 108 | P | 36 | Very low | 29.9 | Very low | 100 Ų | 100 | 139 Ų | 139 | 65% | 0.649 | 79% | 0.789 | S | S | * | * | -132.9 | 163.4 | -51.5 | 39.3 | -25.2 | 0 | 0 | 0 | 113.8 | |||||
| 109 | W | 28.8 | Very low | 30.4 | Very low | 236 Ų | 236 | 140.4 Ų | 140.4 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | 42.1 | 114.7 | 140 | -61.8 | 18.8 | 0 | 0 | 0 | 119.4 | ||||
| 110 | T | 24.5 | Very low | 30.4 | Very low | 126 Ų | 126 | 139.4 Ų | 139.4 | 77% | 0.773 | 78% | 0.78 | S | S | * | * | 74.9 | 141.6 | 85.9 | -51.4 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 111 | Q | 26.4 | Very low | 30.2 | Very low | 181 Ų | 181 | 138.6 Ų | 138.6 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | 83.1 | 150 | -176.2 | -54.7 | -166.8 | 1.2 | 0 | 0 | 114.5 | ||||
| 112 | V | 25.9 | Very low | 30 | Very low | 109 Ų | 109 | 140 Ų | 140 | 66% | 0.661 | 77% | 0.768 | S | S | * | * | cis | -155.3 | 145.6 | -11.1 | 120 | 0 | 0 | 0 | 0 | 111 | ||||
| 113 | I | 25.2 | Very low | 30 | Very low | 139 Ų | 139 | 139.5 Ų | 139.5 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | trans | 28.1 | 132.3 | 151.1 | -48.5 | 166.1 | 0 | 0 | 0 | 120.5 | ||||
| 114 | C | 25.9 | Very low | 30.7 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -23.3 | 147 | 155.3 | -42.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 115 | Y | 27.3 | Very low | 30.8 | Very low | 225 Ų | 225 | 141 Ų | 141 | 88% | 0.882 | 76% | 0.763 | S | S | * | * | -172.8 | 176.5 | 100.7 | -109.3 | -80.8 | 0 | 0 | 0 | 111.3 | |||||
| 116 | A | 28.6 | Very low | 31 | Very low | 94 Ų | 94 | 141.7 Ų | 141.7 | 78% | 0.777 | 76% | 0.762 | S | S | * | * | trans | -36.5 | 149 | -175.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 117 | A | 36.1 | Very low | 30.9 | Very low | 99 Ų | 99 | 142.9 Ų | 142.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | cis | -140.5 | 152.9 | 30.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 118 | Q | 33.3 | Very low | 30.9 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -156.5 | 167.5 | 171.4 | -91.2 | -155.8 | 7.1 | 0 | 0 | 108.5 | ||||
| 119 | P | 41.9 | Very low | 30.9 | Very low | 105 Ų | 105 | 144.6 Ų | 144.6 | 68% | 0.682 | 77% | 0.771 | S | S | * | * | cis | -118.1 | -141.2 | -34.6 | 30 | -8.2 | 0 | 0 | 0 | 107.8 | ||||
| 120 | P | 32.5 | Very low | 31.7 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | -139.5 | 162.5 | 56.4 | 36.5 | -17.1 | 0 | 0 | 0 | 116.4 | |||||
| 121 | C | 28 | Very low | 32.8 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 70% | 0.703 | 76% | 0.756 | S | S | * | * | trans | 68.4 | 153.9 | 169.7 | -62.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 122 | F | 25 | Very low | 33 | Very low | 161 Ų | 161 | 135.4 Ų | 135.4 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | cis | -150.2 | 168.2 | -18.2 | -123.1 | -56.6 | 0 | 0 | 0 | 109.3 | ||||
| 123 | Y | 29.5 | Very low | 33.2 | Very low | 208 Ų | 208 | 138.2 Ų | 138.2 | 82% | 0.816 | 76% | 0.756 | S | S | * | * | trans | -125.8 | 169.7 | 166.4 | -98.6 | -127.2 | 0 | 0 | 0 | 107.8 | ||||
| 124 | F | 42 | Very low | 33.2 | Very low | 223 Ų | 223 | 136.5 Ų | 136.5 | 98% | 0.978 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -87.8 | 67.2 | 176.1 | -76.4 | -70 | 0 | 0 | 0 | 113.6 | ||
| 125 | P | 30.9 | Very low | 33.3 | Very low | 83 Ų | 83 | 139.5 Ų | 139.5 | 54% | 0.539 | 76% | 0.759 | S | S | . | * | -109.6 | 144.3 | 119.5 | -14.9 | 32.8 | 0 | 0 | 0 | 111.2 | |||||
| 126 | N | 34.3 | Very low | 33.3 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | -167.8 | 162.8 | 73.1 | -88.3 | -40.5 | 0 | 0 | 0 | 112.6 | |||||
| 127 | L | 31.8 | Very low | 33.1 | Very low | 148 Ų | 148 | 136.3 Ų | 136.3 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | -76.2 | 150.7 | 156.6 | -63.7 | 93.1 | 0 | 0 | 0 | 110.4 | ||||
| 128 | L | 35.7 | Very low | 32.9 | Very low | 167 Ų | 167 | 134.8 Ų | 134.8 | 87% | 0.874 | 75% | 0.751 | S | S | * | * | trans | 48.1 | 127 | 152 | -57.8 | 164 | 0 | 0 | 0 | 117.8 | ||||
| 129 | A | 35.8 | Very low | 32.8 | Very low | 86 Ų | 86 | 129.9 Ų | 129.9 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | cis | -151 | 166 | 10 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 130 | N | 45.8 | Very low | 32.4 | Very low | 136 Ų | 136 | 129.4 Ų | 129.4 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | 60 | 155.4 | 41.6 | -160.1 | 36.5 | 0 | 0 | 0 | 113.7 | ||||
| 131 | P | 46.6 | Very low | 32.4 | Very low | 96 Ų | 96 | 128.4 Ų | 128.4 | 62% | 0.623 | 75% | 0.754 | S | S | * | * | 40.5 | 153.7 | -101.8 | -33.6 | 11.4 | 0 | 0 | 0 | 118.1 | |||||
| 132 | V | 30.1 | Very low | 32.7 | Very low | 118 Ų | 118 | 128.4 Ų | 128.4 | 72% | 0.715 | 76% | 0.755 | S | S | * | * | cis | 65.3 | 142.4 | 31.1 | -166.9 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 133 | Q | 30.7 | Very low | 33 | Very low | 169 Ų | 169 | 128 Ų | 128 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | -164.5 | 165.4 | 35.6 | -141.8 | 155 | 33.5 | 0 | 0 | 103.7 | ||||
| 134 | T | 25.8 | Very low | 33.2 | Very low | 102 Ų | 102 | 121.2 Ų | 121.2 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | cis | -162.3 | -174.5 | 19 | -33.8 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 135 | I | 26.9 | Very low | 32.7 | Very low | 168 Ų | 168 | 118 Ų | 118 | 86% | 0.862 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 84.4 | 111.3 | 171.8 | -48.9 | 167.4 | 0 | 0 | 0 | 112.3 | ||
| 136 | A | 27.7 | Very low | 32.6 | Very low | 84 Ų | 84 | 121.6 Ų | 121.6 | 69% | 0.694 | 76% | 0.756 | S | S | * | * | cis | -121.3 | 137.8 | 4 | 0 | 0 | 0 | 0 | 0 | 112.9 | G138 | A136-G138 PolarHBondContact O-N 3.23Å; A136-G138 VanDerWaalsContact O-N 3.14Å | ||
| 137 | N | 25.8 | Very low | 32.5 | Very low | 168 Ų | 168 | 120 Ų | 120 | 90% | 0.898 | 75% | 0.753 | S | S | * | * | trans | -60.2 | 110 | 151.1 | -62.8 | -37.1 | 0 | 0 | 0 | 106.7 | ||||
| 138 | G | 30.6 | Very low | 32.6 | Very low | 68 Ų | 68 | 117.9 Ų | 117.9 | 70% | 0.701 | 75% | 0.751 | S | S | * | * | trans | -135.8 | -6.7 | -165 | 0 | 0 | 0 | 0 | 0 | 117 | A136 | A136-G138 PolarHBondContact O-N 3.23Å; A136-G138 VanDerWaalsContact O-N 3.14Å | ||
| 139 | G | 31.9 | Very low | 32.6 | Very low | 77 Ų | 77 | 115.8 Ų | 115.8 | 79% | 0.794 | 75% | 0.748 | S | S | * | * | trans | 63.1 | -165 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 140 | A | 32.7 | Very low | 32.2 | Very low | 95 Ų | 95 | 120 Ų | 120 | 79% | 0.785 | 76% | 0.757 | S | S | * | * | cis | -170.6 | 152.1 | -26.7 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 141 | A | 34 | Very low | 31.5 | Very low | 91 Ų | 91 | 121.3 Ų | 121.3 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | trans | 67.9 | 155 | 153.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 142 | S | 32.8 | Very low | 30.5 | Very low | 104 Ų | 104 | 123.9 Ų | 123.9 | 73% | 0.727 | 77% | 0.767 | S | S | * | * | trans | 68.7 | 140.1 | 161.9 | 61.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 143 | N | 31.6 | Very low | 30.5 | Very low | 152 Ų | 152 | 126.1 Ų | 126.1 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | cis | 156.8 | 146.3 | -22.9 | -93.7 | -8.4 | 0 | 0 | 0 | 104.8 | ||||
| 144 | G | 34 | Very low | 30.2 | Very low | 67 Ų | 67 | 122.8 Ų | 122.8 | 69% | 0.691 | 77% | 0.765 | S | S | * | * | trans | 139 | 48.8 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 145 | Q | 30.7 | Very low | 30.2 | Very low | 156 Ų | 156 | 121.9 Ų | 121.9 | 73% | 0.729 | 77% | 0.768 | S | S | * | * | 61.7 | 101.1 | 92.8 | -74.2 | 175.5 | -113.4 | 0 | 0 | 114.7 | |||||
| 146 | L | 28.3 | Very low | 30.3 | Very low | 158 Ų | 158 | 124.3 Ų | 124.3 | 83% | 0.827 | 77% | 0.768 | S | S | * | * | 51.3 | 153.9 | 100.6 | -70.3 | 166 | 0 | 0 | 0 | 119.5 | |||||
| 147 | P | 33.2 | Very low | 30.1 | Very low | 109 Ų | 109 | 125.6 Ų | 125.6 | 71% | 0.708 | 77% | 0.771 | S | S | * | * | cis | -137.8 | 177.5 | -13 | 38.6 | -20.4 | 0 | 0 | 0 | 115.4 | ||||
| 148 | S | 34.1 | Very low | 30.4 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 76% | 0.76 | S | S | * | * | trans | -65.7 | 168 | 155 | -39.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 149 | P | 35.4 | Very low | 30.4 | Very low | 123 Ų | 123 | 131 Ų | 131 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | -141.4 | 151.5 | 88.9 | 37.6 | -24.1 | 0 | 0 | 0 | 114.7 | |||||
| 150 | L | 27 | Very low | 30.1 | Very low | 175 Ų | 175 | 135.4 Ų | 135.4 | 92% | 0.916 | 77% | 0.768 | S | S | * | * | trans | -97 | 128.9 | 160.8 | -84.8 | 163.5 | 0 | 0 | 0 | 108.2 | ||||
| 151 | L | 31.5 | Very low | 30 | Very low | 164 Ų | 164 | 137.3 Ų | 137.3 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | trans | -124.4 | 160.2 | 171.8 | -152.9 | 75.4 | 0 | 0 | 0 | 110.1 | ||||
| 152 | E | 26.2 | Very low | 29.6 | Very low | 149 Ų | 149 | 141.7 Ų | 141.7 | 70% | 0.696 | 78% | 0.777 | S | S | * | * | trans | -68.7 | 176.1 | -172 | -42.8 | 175.5 | 144.5 | 0 | 0 | 115 | ||||
| 153 | Q | 28.6 | Very low | 29.5 | Very low | 165 Ų | 165 | 147.9 Ų | 147.9 | 77% | 0.771 | 79% | 0.785 | S | S | * | * | trans | 70.3 | 156.9 | 158.4 | -60.3 | 162.6 | 50.2 | 0 | 0 | 116.1 | ||||
| 154 | S | 25.2 | Very low | 29.4 | Very low | 99 Ų | 99 | 148 Ų | 148 | 69% | 0.692 | 79% | 0.785 | S | S | * | * | cis | -166.1 | 174.5 | -34.9 | 63.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 155 | A | 26.4 | Very low | 29.3 | Very low | 83 Ų | 83 | 149.2 Ų | 149.2 | 69% | 0.686 | 79% | 0.789 | S | S | * | * | trans | 71.9 | 136.8 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 156 | Y | 27.5 | Very low | 29.2 | Very low | 220 Ų | 220 | 152.1 Ų | 152.1 | 86% | 0.863 | 79% | 0.794 | S | S | * | * | trans | 75.9 | 102.6 | 147.2 | -87.6 | -115.5 | 0 | 0 | 0 | 122.2 | ||||
| 157 | C | 25.3 | Very low | 29.3 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 75% | 0.75 | 79% | 0.79 | S | S | * | * | 6 | 144.3 | 126.9 | -48.8 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 158 | E | 31.3 | Very low | 29.1 | Very low | 146 Ų | 146 | 152 Ų | 152 | 68% | 0.682 | 79% | 0.793 | S | S | * | * | -156 | 144.4 | 116.1 | -93.5 | -141.4 | 135.3 | 0 | 0 | 114.7 | |||||
| 159 | R | 29.6 | Very low | 28.9 | Very low | 202 Ų | 202 | 152.1 Ų | 152.1 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 55.8 | 110.8 | 148.6 | -62.4 | 178.3 | -159.4 | -151.4 | 6.9 | 122.3 | ||||
| 160 | L | 26.3 | Very low | 28.7 | Very low | 171 Ų | 171 | 154.7 Ų | 154.7 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -51.6 | 149.6 | 142.2 | -68.8 | 135.9 | 0 | 0 | 0 | 112.5 | ||||
| 161 | T | 30.8 | Very low | 29.1 | Very low | 134 Ų | 134 | 152.1 Ų | 152.1 | 82% | 0.822 | 80% | 0.795 | S | S | * | * | trans | -161.1 | 133.9 | 135 | -1.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 162 | M | 25.2 | Very low | 29.2 | Very low | 183 Ų | 183 | 152.7 Ų | 152.7 | 90% | 0.901 | 79% | 0.793 | S | S | * | * | trans | -84 | 143 | 156.4 | -71.9 | -164.8 | -67.5 | 0 | 0 | 109.4 | ||||
| 163 | R | 30.5 | Very low | 29.4 | Very low | 235 Ų | 235 | 150.1 Ų | 150.1 | 89% | 0.887 | 80% | 0.798 | S | S | * | * | trans | -165.4 | 134.1 | 150.1 | -126.6 | 178.7 | 178.5 | 95.8 | 0.2 | 113.1 | ||||
| 164 | D | 29.1 | Very low | 29.9 | Very low | 155 Ų | 155 | 148.5 Ų | 148.5 | 83% | 0.829 | 80% | 0.801 | S | S | * | * | trans | -70.9 | 142.7 | 165.9 | -51 | -92.5 | 0 | 0 | 0 | 112 | ||||
| 165 | A | 32.1 | Very low | 30.2 | Very low | 92 Ų | 92 | 152.2 Ų | 152.2 | 76% | 0.76 | 81% | 0.81 | S | S | * | * | trans | -164.1 | 93.6 | 158.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 166 | Y | 30.1 | Very low | 30.7 | Very low | 216 Ų | 216 | 154.1 Ų | 154.1 | 85% | 0.847 | 82% | 0.818 | S | S | * | * | 43.5 | 132.7 | 125.3 | -85.5 | -108.8 | 0 | 0 | 0 | 123 | |||||
| 167 | L | 30.8 | Very low | 31 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 73% | 0.728 | 82% | 0.815 | S | S | * | * | trans | 90.8 | 94.8 | 142.5 | -64.9 | 162 | 0 | 0 | 0 | 122.7 | ||||
| 168 | T | 28 | Very low | 31.4 | Very low | 127 Ų | 127 | 150.4 Ų | 150.4 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | 35.3 | 124.4 | 118.6 | 58 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 169 | A | 30.9 | Very low | 31.7 | Very low | 105 Ų | 105 | 151.2 Ų | 151.2 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | trans | -160 | 139.6 | 137.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 170 | Q | 31.1 | Very low | 32.8 | Very low | 178 Ų | 178 | 146.6 Ų | 146.6 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | trans | -136.7 | 152.6 | 160.6 | -94.5 | -160.3 | -8.1 | 0 | 0 | 107.6 | ||||
| 171 | P | 35.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 144 Ų | 144 | 79% | 0.786 | 82% | 0.817 | S | S | * | * | -157.6 | 140.9 | 104.9 | 37 | -16.6 | 0 | 0 | 0 | 119.4 | |||||
| 172 | Q | 32.8 | Very low | 33.9 | Very low | 176 Ų | 176 | 142.2 Ų | 142.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | trans | 23.4 | 131 | 138.2 | -57.9 | -175.8 | -13.8 | 0 | 0 | 126.3 | ||||
| 173 | A | 31.4 | Very low | 34.6 | Very low | 95 Ų | 95 | 138.6 Ų | 138.6 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | 65.6 | 168.3 | 127.8 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 174 | P | 37.7 | Very low | 34.9 | Very low | 131 Ų | 131 | 132.4 Ų | 132.4 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | cis | -132.8 | -147.6 | 6.1 | 44 | -23.8 | 0 | 0 | 0 | 116.8 | ||||
| 175 | M | 32 | Very low | 35.1 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 87% | 0.872 | 80% | 0.796 | S | S | * | * | trans | -104.7 | 162.1 | -154.7 | -48.8 | 179.1 | -70.6 | 0 | 0 | 118.7 | ||||
| 176 | S | 36.6 | Very low | 35.2 | Very low | 123 Ų | 123 | 131 Ų | 131 | 86% | 0.86 | 80% | 0.799 | S | S | * | * | 175.9 | 175.6 | 127.1 | 44 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 177 | T | 33.5 | Very low | 35.3 | Very low | 129 Ų | 129 | 126.8 Ų | 126.8 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -134.7 | 156.2 | -156.1 | 54.3 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 178 | C | 33.3 | Very low | 35.3 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 83% | 0.831 | 80% | 0.799 | S | S | * | * | 165.7 | 86.2 | 128.6 | -88.6 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 179 | N | 39.3 | Very low | 35.6 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | 42.7 | 155.1 | 135.1 | -93.7 | -1.6 | 0 | 0 | 0 | 126.4 | ||||
| 180 | P | 51.8 | Low | 35.7 | Very low | 106 Ų | 106 | 127.1 Ų | 127.1 | 69% | 0.688 | 79% | 0.794 | S | S | * | * | trans | -110.4 | -123.1 | -147.7 | 30.6 | -6.1 | 0 | 0 | 0 | 112.8 | ||||
| 181 | P | 41 | Very low | 35.8 | Very low | 115 Ų | 115 | 124.2 Ų | 124.2 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | cis | -104.6 | -153.4 | 21.2 | 46.3 | -40.3 | 0 | 0 | 0 | 112.9 | ||||
| 182 | S | 40.6 | Very low | 35.6 | Very low | 98 Ų | 98 | 124.3 Ų | 124.3 | 69% | 0.685 | 80% | 0.797 | S | S | * | * | cis | -162.6 | 161.2 | 9.5 | 46.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 183 | S | 38.5 | Very low | 35.7 | Very low | 107 Ų | 107 | 122 Ų | 122 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 35.5 | 127.6 | 153.2 | 61 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 184 | S | 36.8 | Very low | 35.8 | Very low | 104 Ų | 104 | 124.6 Ų | 124.6 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | cis | -164.6 | 115.8 | -7 | 50.1 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 185 | S | 34.7 | Very low | 35.6 | Very low | 120 Ų | 120 | 126.9 Ų | 126.9 | 84% | 0.839 | 80% | 0.797 | S | S | * | * | trans | 39 | 140.1 | 147 | 60 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 186 | A | 33.7 | Very low | 35.8 | Very low | 99 Ų | 99 | 124.1 Ų | 124.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 175.4 | 164.2 | -53.5 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 187 | V | 31 | Very low | 35.6 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 77% | 0.77 | 79% | 0.785 | S | S | * | * | trans | -126 | 154.9 | 177.4 | 170 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 188 | E | 32.1 | Very low | 35.7 | Very low | 172 Ų | 172 | 122.5 Ų | 122.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | 72.5 | 112.9 | 164.6 | -84.6 | 160.3 | -163.9 | 0 | 0 | 122.4 | ||||
| 189 | S | 33.4 | Very low | 35.8 | Very low | 117 Ų | 117 | 120.5 Ų | 120.5 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | 83.1 | 129.4 | 131.7 | 73.6 | 0 | 0 | 0 | 0 | 125 | ||||
| 190 | A | 32.6 | Very low | 35.6 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 78% | 0.776 | S | S | * | * | trans | 78.1 | 95.9 | 137.8 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 191 | S | 33.2 | Very low | 34.9 | Very low | 116 Ų | 116 | 121.7 Ų | 121.7 | 81% | 0.811 | 78% | 0.782 | S | S | * | * | 49.7 | 129.3 | 127.3 | 64.3 | 0 | 0 | 0 | 0 | 125.3 | |||||
| 192 | S | 32.8 | Very low | 34.5 | Very low | 123 Ų | 123 | 119.5 Ų | 119.5 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 179.8 | 177.3 | 136 | 44.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 193 | V | 33.7 | Very low | 34.1 | Very low | 129 Ų | 129 | 124 Ų | 124 | 78% | 0.782 | 78% | 0.783 | S | S | * | * | trans | -142.8 | 137.5 | -163 | 172.6 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 194 | N | 34.4 | Very low | 33.7 | Very low | 149 Ų | 149 | 122.3 Ų | 122.3 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 28.4 | 135.9 | 157.7 | -58.9 | -13 | 0 | 0 | 0 | 123.9 | ||||
| 195 | M | 33.4 | Very low | 33.4 | Very low | 178 Ų | 178 | 126.5 Ų | 126.5 | 88% | 0.877 | 79% | 0.791 | S | S | * | * | -171.2 | 135 | 126.3 | -95.5 | -132.3 | -82.4 | 0 | 0 | 116.2 | |||||
| 196 | V | 34.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | trans | 74 | 135.8 | 139.6 | 178.5 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 197 | T | 33.9 | Very low | 33 | Very low | 125 Ų | 125 | 126.6 Ų | 126.6 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -54.1 | 164.6 | 171.3 | 49 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 198 | A | 34.1 | Very low | 32.9 | Very low | 93 Ų | 93 | 127.5 Ų | 127.5 | 77% | 0.769 | 77% | 0.774 | S | S | * | * | cis | -170.7 | -147.7 | -13 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 199 | A | 37 | Very low | 32.7 | Very low | 81 Ų | 81 | 126.3 Ų | 126.3 | 67% | 0.669 | 77% | 0.769 | S | S | * | * | cis | -164.8 | -179.4 | 5.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 200 | N | 35.1 | Very low | 32.6 | Very low | 159 Ų | 159 | 128.3 Ų | 128.3 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 67.2 | 142 | 174.3 | -64.5 | -9.4 | 0 | 0 | 0 | 116.6 | ||||
| 201 | V | 35.3 | Very low | 32.7 | Very low | 134 Ų | 134 | 129.4 Ų | 129.4 | 81% | 0.812 | 76% | 0.762 | S | S | * | * | cis | -145.5 | 163.8 | -3.7 | 108 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 202 | A | 33.7 | Very low | 32.6 | Very low | 69 Ų | 69 | 133.7 Ų | 133.7 | 57% | 0.57 | 76% | 0.762 | S | S | * | * | trans | -42.3 | 174.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 203 | E | 31.5 | Very low | 32.5 | Very low | 192 Ų | 192 | 131.5 Ų | 131.5 | 90% | 0.897 | 75% | 0.747 | S | S | * | * | cis | -167.4 | 174.8 | 10.4 | -144.4 | 150.8 | -136.4 | 0 | 0 | 111.1 | ||||
| 204 | G | 31.4 | Very low | 32.5 | Very low | 72 Ų | 72 | 133.9 Ų | 133.9 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 99.3 | 126.3 | 150.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 205 | Q | 29.7 | Very low | 32.5 | Very low | 193 Ų | 193 | 133.7 Ų | 133.7 | 90% | 0.902 | 75% | 0.746 | S | S | * | * | trans | -72.4 | 162.8 | 162.3 | -51.2 | 175.8 | -60.1 | 0 | 0 | 109.7 | ||||
| 206 | P | 33.8 | Very low | 32.5 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 73% | 0.734 | 74% | 0.735 | S | S | * | * | -149.5 | 172.3 | 89.4 | 40.9 | -24.2 | 0 | 0 | 0 | 116.9 | |||||
| 207 | T | 25.8 | Very low | 32.6 | Very low | 107 Ų | 107 | 131 Ų | 131 | 66% | 0.656 | 74% | 0.74 | S | S | * | * | trans | -17.2 | 164.8 | 150.9 | 64 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 208 | Q | 29.7 | Very low | 32.5 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 68% | 0.682 | 74% | 0.739 | S | S | * | * | cis | -171.2 | 150.1 | 41 | -148.9 | 143 | 35.5 | 0 | 0 | 114.3 | ||||
| 209 | Q | 27.4 | Very low | 32.4 | Very low | 148 Ų | 148 | 133.3 Ų | 133.3 | 69% | 0.692 | 73% | 0.73 | S | S | * | * | trans | 29.3 | 132.5 | 146.6 | -61.8 | 162.3 | -10.6 | 0 | 0 | 119.4 | ||||
| 210 | H | 32.5 | Very low | 32 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 74% | 0.736 | 74% | 0.735 | S | S | * | * | -160.3 | 138.2 | 63.5 | -101.4 | -101.9 | 0 | 0 | 0 | 114 | |||||
| 211 | V | 32.8 | Very low | 31.8 | Very low | 111 Ų | 111 | 136.1 Ų | 136.1 | 67% | 0.673 | 73% | 0.728 | S | S | * | * | trans | 66.1 | 129.2 | 133.8 | 173.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 212 | Y | 32.7 | Very low | 31.5 | Very low | 206 Ų | 206 | 138.8 Ų | 138.8 | 81% | 0.808 | 72% | 0.724 | S | S | * | * | cis | -150.4 | 144.5 | -6.2 | -120.1 | -148.7 | 0 | 0 | 0 | 108.5 | ||||
| 213 | S | 29.7 | Very low | 31.2 | Very low | 78 Ų | 78 | 141 Ų | 141 | 55% | 0.545 | 73% | 0.726 | S | S | . | * | trans | 1.9 | 151.6 | 141.4 | 63.2 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 214 | F | 32.9 | Very low | 31 | Very low | 178 Ų | 178 | 140.8 Ų | 140.8 | 78% | 0.781 | 73% | 0.725 | S | S | * | * | cis | -154 | 161.4 | 41.9 | -112.2 | -82.2 | 0 | 0 | 0 | 114.1 | ||||
| 215 | D | 34.4 | Very low | 30.9 | Very low | 145 Ų | 145 | 148.6 Ų | 148.6 | 78% | 0.775 | 73% | 0.733 | S | S | * | * | trans | -23.3 | 160.2 | 173.5 | -41.2 | -17.1 | 0 | 0 | 0 | 120.3 | ||||
| 216 | G | 34.8 | Very low | 30.6 | Very low | 62 Ų | 62 | 148.4 Ų | 148.4 | 64% | 0.639 | 73% | 0.732 | S | S | * | * | cis | -152.1 | 153.6 | 5.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 217 | E | 35.8 | Very low | 30.6 | Very low | 180 Ų | 180 | 148 Ų | 148 | 84% | 0.841 | 73% | 0.729 | S | S | * | * | 76.2 | 115.8 | 101.9 | -71 | -165.9 | 167.4 | 0 | 0 | 114.3 | |||||
| 218 | E | 32.4 | Very low | 30.6 | Very low | 159 Ų | 159 | 148.4 Ų | 148.4 | 74% | 0.743 | 73% | 0.731 | S | S | * | * | 77.7 | 144.1 | 64.3 | -75.6 | -165.5 | -165.9 | 0 | 0 | 112.9 | |||||
| 219 | N | 31.3 | Very low | 30.5 | Very low | 108 Ų | 108 | 146.4 Ų | 146.4 | 58% | 0.578 | 73% | 0.729 | S | S | * | * | cis | -139.8 | 151.3 | -5.7 | -96 | -43.2 | 0 | 0 | 0 | 106.9 | ||||
| 220 | Q | 29.4 | Very low | 30.5 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 79% | 0.785 | 73% | 0.733 | S | S | * | * | 57.8 | 154 | 54.3 | -74.6 | -139.3 | 34 | 0 | 0 | 115.7 | |||||
| 221 | L | 30.3 | Very low | 30.3 | Very low | 131 Ų | 131 | 146.3 Ų | 146.3 | 69% | 0.686 | 74% | 0.737 | S | S | * | * | trans | 65.9 | 159 | 165.7 | -63.5 | 146.3 | 0 | 0 | 0 | 116.4 | ||||
| 222 | Y | 28.7 | Very low | 29.9 | Very low | 189 Ų | 189 | 145.8 Ų | 145.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | cis | -165.4 | 161.9 | -38.8 | -150.2 | -131.6 | 0 | 0 | 0 | 108.5 | ||||
| 223 | N | 28.1 | Very low | 29.7 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 62% | 0.615 | 74% | 0.74 | S | S | * | * | trans | 35.5 | 105.7 | 158.4 | -74.5 | -8.1 | 0 | 0 | 0 | 121 | ||||
| 224 | Q | 28 | Very low | 29.7 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 75% | 0.748 | S | S | * | * | 172.8 | 122.9 | 123.3 | -95.2 | 152.8 | 94 | 0 | 0 | 107.7 | |||||
| 225 | R | 27.6 | Very low | 29.5 | Very low | 237 Ų | 237 | 145.2 Ų | 145.2 | 89% | 0.894 | 75% | 0.75 | S | S | * | * | 53.9 | 132.3 | 54.1 | -80.4 | -163.7 | 174.3 | -151.9 | -0.7 | 113.7 | |||||
| 226 | Q | 25.4 | Very low | 29.2 | Very low | 188 Ų | 188 | 143.5 Ų | 143.5 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | 83.7 | 159 | 176.8 | -56.8 | -149.4 | -47.4 | 0 | 0 | 114.6 | ||||
| 227 | P | 32.8 | Very low | 28.8 | Very low | 104 Ų | 104 | 146 Ų | 146 | 68% | 0.675 | 75% | 0.748 | S | S | * | * | -147.3 | -138.1 | -97.3 | 36 | -8.1 | 0 | 0 | 0 | 112.3 | |||||
| 228 | V | 26.5 | Very low | 28.4 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 70% | 0.703 | 74% | 0.742 | S | S | * | * | trans | 44.9 | 111.9 | 139.2 | 168.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 229 | V | 26.2 | Very low | 28.2 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | trans | 57.6 | 105.7 | 139.7 | -176.5 | 0 | 0 | 0 | 0 | 115.5 | E231 | V229-E231 HydrophobicContact CG1-CG 4.46Š| ||
| 230 | T | 28.2 | Very low | 28.2 | Very low | 127 Ų | 127 | 140.4 Ų | 140.4 | 78% | 0.779 | 75% | 0.753 | S | S | * | * | 64.9 | 160.5 | 75.9 | -42.5 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 231 | E | 27.7 | Very low | 28.1 | Very low | 178 Ų | 178 | 137.8 Ų | 137.8 | 83% | 0.832 | 75% | 0.753 | S | S | * | * | trans | 80 | 156.2 | 168 | -51.7 | -170.2 | 164.2 | 0 | 0 | 118.2 | V229 | V229-E231 HydrophobicContact CG1-CG 4.46Š| ||
| 232 | S | 24.1 | Very low | 28 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 76% | 0.755 | S | S | * | * | trans | -118.3 | 118.5 | 179.9 | 65.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 233 | K | 30 | Very low | 28.1 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 83% | 0.83 | 75% | 0.752 | S | S | * | * | trans | 79.1 | 157.2 | 159.8 | -52.7 | 165.6 | -179.7 | 169.1 | 0 | 117.8 | ||||
| 234 | S | 29.1 | Very low | 28.2 | Very low | 102 Ų | 102 | 135.1 Ų | 135.1 | 71% | 0.713 | 76% | 0.757 | S | S | * | * | trans | 71.8 | 101.5 | 161.9 | 4.8 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 235 | L | 28.3 | Very low | 28.3 | Very low | 156 Ų | 156 | 132.3 Ų | 132.3 | 82% | 0.817 | 75% | 0.747 | S | S | * | * | 88.5 | 116.6 | 68.6 | -80.1 | 163.1 | 0 | 0 | 0 | 113.1 | |||||
| 236 | T | 28.4 | Very low | 28.4 | Very low | 109 Ų | 109 | 126.7 Ų | 126.7 | 67% | 0.669 | 74% | 0.739 | S | S | * | * | trans | 72.6 | 93 | 130.7 | -49.3 | 0 | 0 | 0 | 0 | 119 | ||||
| 237 | T | 27.5 | Very low | 28.7 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 71% | 0.712 | 73% | 0.728 | S | S | * | * | 80 | 116.1 | 121.8 | -52.9 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 238 | T | 26.9 | Very low | 28.5 | Very low | 118 Ų | 118 | 124.2 Ų | 124.2 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | trans | 62.9 | 128.1 | 150.4 | 56.9 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 239 | V | 27.2 | Very low | 28.7 | Very low | 148 Ų | 148 | 123.8 Ų | 123.8 | 90% | 0.897 | 73% | 0.729 | S | S | * | * | trans | 61.9 | 121.1 | 130.2 | -178.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 240 | G | 31 | Very low | 28.9 | Very low | 62 Ų | 62 | 124.6 Ų | 124.6 | 64% | 0.639 | 73% | 0.734 | S | S | * | * | trans | 149.2 | 122.7 | 169.2 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 241 | S | 27.9 | Very low | 29 | Very low | 114 Ų | 114 | 124.6 Ų | 124.6 | 80% | 0.797 | 73% | 0.733 | S | S | * | * | cis | 68.7 | 86.1 | 49.7 | -161.5 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 242 | V | 28.5 | Very low | 29.1 | Very low | 121 Ų | 121 | 121.8 Ų | 121.8 | 73% | 0.733 | 73% | 0.728 | S | S | * | * | 98.4 | 153 | 81.2 | 152.9 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 243 | D | 30.6 | Very low | 29.5 | Very low | 127 Ų | 127 | 119.8 Ų | 119.8 | 68% | 0.679 | 72% | 0.723 | S | S | * | * | trans | 73.1 | 104.4 | 172.2 | -66.3 | -25.8 | 0 | 0 | 0 | 120.4 | ||||
| 244 | N | 29.7 | Very low | 29.5 | Very low | 131 Ų | 131 | 118.2 Ų | 118.2 | 70% | 0.701 | 72% | 0.719 | S | S | * | * | 80.1 | 152.4 | 114.8 | -63.1 | -15 | 0 | 0 | 0 | 124.5 | |||||
| 245 | D | 31.4 | Very low | 29.5 | Very low | 128 Ų | 128 | 120.7 Ų | 120.7 | 68% | 0.684 | 72% | 0.721 | S | S | * | * | trans | 74.5 | 92.2 | 144.1 | -67.7 | -18 | 0 | 0 | 0 | 122.9 | ||||
| 246 | T | 29.8 | Very low | 29.4 | Very low | 119 Ų | 119 | 116.3 Ų | 116.3 | 73% | 0.73 | 70% | 0.703 | S | S | * | * | 66.9 | 167 | 122.5 | 77.9 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 247 | T | 30.1 | Very low | 29.4 | Very low | 104 Ų | 104 | 115.6 Ų | 115.6 | 64% | 0.638 | 70% | 0.698 | S | S | * | * | cis | -152 | 166.7 | 5.4 | -12.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 248 | N | 29.3 | Very low | 29.4 | Very low | 136 Ų | 136 | 116.2 Ų | 116.2 | 73% | 0.727 | 70% | 0.702 | S | S | * | * | trans | 72.7 | 144.6 | 152.3 | -64.6 | -25.3 | 0 | 0 | 0 | 118.1 | ||||
| 249 | T | 31.7 | Very low | 29.6 | Very low | 108 Ų | 108 | 113.8 Ų | 113.8 | 66% | 0.663 | 70% | 0.701 | S | S | * | * | cis | -153.5 | 131.7 | 9.9 | -9.7 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 250 | T | 29.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 114 Ų | 114 | 75% | 0.748 | 69% | 0.692 | S | S | * | * | trans | 49.3 | 144 | 141 | 53.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 251 | V | 30.9 | Very low | 29.3 | Very low | 126 Ų | 126 | 118 Ų | 118 | 76% | 0.764 | 69% | 0.694 | S | S | * | * | cis | -139.5 | 124.2 | 17.7 | -169.6 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 252 | V | 29.4 | Very low | 29.1 | Very low | 119 Ų | 119 | 118.2 Ų | 118.2 | 72% | 0.721 | 69% | 0.69 | S | S | * | * | 52.6 | 136.2 | 85.9 | -170.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 253 | G | 31.5 | Very low | 29.1 | Very low | 58 Ų | 58 | 119.2 Ų | 119.2 | 60% | 0.598 | 69% | 0.69 | S | S | * | * | cis | -141.1 | 179.9 | 5.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 254 | E | 30.7 | Very low | 29 | Very low | 159 Ų | 159 | 119.5 Ų | 119.5 | 74% | 0.743 | 69% | 0.691 | S | S | * | * | 68.8 | 141.3 | 73.7 | -59.9 | -177.8 | 146.9 | 0 | 0 | 113.1 | |||||
| 255 | M | 28.7 | Very low | 28.8 | Very low | 154 Ų | 154 | 118.9 Ų | 118.9 | 76% | 0.759 | 69% | 0.688 | S | S | * | * | cis | -155.4 | 146.2 | -10.7 | -104.3 | 169.2 | -170.9 | 0 | 0 | 105.8 | ||||
| 256 | S | 26.6 | Very low | 28.6 | Very low | 63 Ų | 63 | 118.9 Ų | 118.9 | 44% | 0.441 | 69% | 0.688 | S | S | . | * | 59 | 138.7 | 81.7 | -133.9 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 257 | V | 28.6 | Very low | 28.7 | Very low | 94 Ų | 94 | 121 Ų | 121 | 57% | 0.57 | 69% | 0.689 | S | S | * | * | trans | 76.7 | 108.4 | 152 | 172.3 | 0 | 0 | 0 | 0 | 120.7 | D32 | D32-V257 WeakPolarHBondContact OD2-CG2 3.05Š| ||
| 258 | V | 26.9 | Very low | 28.5 | Very low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 69% | 0.685 | S | S | * | * | trans | 60 | 143.3 | 131 | -176.3 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 259 | G | 31.8 | Very low | 28.4 | Very low | 68 Ų | 68 | 120 Ų | 120 | 70% | 0.701 | 68% | 0.682 | S | S | * | * | trans | 137.7 | 66.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 260 | E | 26.1 | Very low | 28.3 | Very low | 153 Ų | 153 | 121.9 Ų | 121.9 | 72% | 0.715 | 69% | 0.687 | S | S | * | * | 62.6 | 126.6 | 73.4 | -137.1 | -146.1 | 148.3 | 0 | 0 | 114.3 | |||||
| 261 | Q | 25 | Very low | 28.1 | Very low | 144 Ų | 144 | 121.5 Ų | 121.5 | 67% | 0.673 | 68% | 0.684 | S | S | * | * | trans | 64.2 | 124.9 | 170.9 | -54.4 | -174.8 | 21.1 | 0 | 0 | 115.7 | ||||
| 262 | T | 24.8 | Very low | 28.1 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 73% | 0.73 | 68% | 0.682 | S | S | * | * | 63.2 | 81.8 | 54.6 | -48.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 263 | I | 27.4 | Very low | 27.9 | Very low | 142 Ų | 142 | 120.4 Ų | 120.4 | 73% | 0.728 | 68% | 0.681 | S | S | * | * | trans | -163.7 | 117.6 | 136 | -95.3 | 143.1 | 0 | 0 | 0 | 104.1 | ||||
| 264 | L | 27.8 | Very low | 27.7 | Very low | 133 Ų | 133 | 122.7 Ų | 122.7 | 70% | 0.696 | 68% | 0.68 | S | S | * | * | 71.2 | 150.5 | 65.8 | -79.4 | 168.2 | 0 | 0 | 0 | 113 | |||||
| 265 | D | 27 | Very low | 27.5 | Very low | 119 Ų | 119 | 121.3 Ų | 121.3 | 64% | 0.636 | 67% | 0.674 | S | S | * | * | trans | 62.7 | 100.8 | 164.5 | -47.9 | -18.5 | 0 | 0 | 0 | 114.6 | ||||
| 266 | D | 27.5 | Very low | 27.4 | Very low | 128 Ų | 128 | 120.8 Ų | 120.8 | 68% | 0.684 | 67% | 0.667 | S | S | * | * | 98.8 | 174.4 | 84.7 | -82.5 | -21.8 | 0 | 0 | 0 | 109.3 | T268 | D266-T268 HydrophobicContact CB-CG2 4.42Å; D266-T268 VanDerWaalsContact OD1-CG2 3.24Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.03Å | |||
| 267 | E | 30.2 | Very low | 27.3 | Very low | 163 Ų | 163 | 123.9 Ų | 123.9 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | cis | -111.1 | 127.8 | -6.3 | -74.9 | -178.2 | 127.2 | 0 | 0 | 107.8 | ||||
| 268 | T | 27.7 | Very low | 27.1 | Very low | 89 Ų | 89 | 123.5 Ų | 123.5 | 55% | 0.546 | 68% | 0.68 | S | S | . | * | 63 | 164.2 | 68.1 | 77.1 | 0 | 0 | 0 | 0 | 114.3 | D266 | D266-T268 HydrophobicContact CB-CG2 4.42Å; D266-T268 VanDerWaalsContact OD1-CG2 3.24Å; D266-T268 WeakPolarHBondContact OD1-CG2 3.03Å | |||
| 269 | I | 26.4 | Very low | 27 | Very low | 130 Ų | 130 | 125.6 Ų | 125.6 | 67% | 0.667 | 68% | 0.679 | S | S | * | * | trans | 62.1 | 134.6 | 177.3 | -3.7 | -176.4 | 0 | 0 | 0 | 113.8 | V271 | I269-V271 HydrophobicContact CG2-CG2 4.2Š| ||
| 270 | I | 29.5 | Very low | 26.8 | Very low | 147 Ų | 147 | 128.2 Ų | 128.2 | 75% | 0.754 | 68% | 0.681 | S | S | * | * | cis | -136.8 | 117.4 | 23.8 | -66.3 | 162.6 | 0 | 0 | 0 | 107.3 | G272 | I270-G272 PolarHBondContact O-N 3.03Š| ||
| 271 | V | 26 | Very low | 26.9 | Very low | 115 Ų | 115 | 124.8 Ų | 124.8 | 70% | 0.697 | 68% | 0.679 | S | S | * | * | 53.3 | 47.4 | 77.9 | -165.5 | 0 | 0 | 0 | 0 | 113.1 | I269 | I269-V271 HydrophobicContact CG2-CG2 4.2Š| |||
| 272 | G | 29.7 | Very low | 27.2 | Very low | 70 Ų | 70 | 124.7 Ų | 124.7 | 72% | 0.722 | 68% | 0.682 | S | S | * | * | trans | -117 | 69.3 | 166.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | I270 | I270-G272 PolarHBondContact O-N 3.03Š| ||
| 273 | Q | 26.6 | Very low | 27.4 | Very low | 151 Ų | 151 | 123.6 Ų | 123.6 | 71% | 0.706 | 68% | 0.677 | S | S | * | * | 56.4 | 137.7 | 89.7 | -106.2 | -159.5 | 23 | 0 | 0 | 115.3 | |||||
| 274 | N | 26.1 | Very low | 27.4 | Very low | 106 Ų | 106 | 123.6 Ų | 123.6 | 57% | 0.567 | 68% | 0.678 | S | S | * | * | trans | 73.4 | 103 | 158.7 | -54.9 | -20.9 | 0 | 0 | 0 | 115 | ||||
| 275 | E | 26.5 | Very low | 27.4 | Very low | 131 Ų | 131 | 122.8 Ų | 122.8 | 61% | 0.612 | 68% | 0.678 | S | S | * | * | 85.3 | 168.8 | 74 | -83.7 | -176.9 | 125.2 | 0 | 0 | 110.9 | |||||
| 276 | K | 26.9 | Very low | 27.3 | Very low | 142 Ų | 142 | 121.6 Ų | 121.6 | 62% | 0.617 | 68% | 0.68 | S | S | * | * | trans | 62.6 | 93.2 | 150.6 | -77.1 | 147.5 | -165.2 | 159.6 | 0 | 115.1 | ||||
| 277 | D | 25.4 | Very low | 27.4 | Very low | 129 Ų | 129 | 119.6 Ų | 119.6 | 69% | 0.69 | 68% | 0.681 | S | S | * | * | 76.8 | 112.3 | 81.6 | -80.2 | -47.4 | 0 | 0 | 0 | 111.9 | |||||
| 278 | S | 24.5 | Very low | 27.2 | Very low | 86 Ų | 86 | 117.1 Ų | 117.1 | 60% | 0.601 | 68% | 0.677 | S | S | * | * | trans | 70.7 | 167 | 137.5 | 81 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 279 | K | 25.3 | Very low | 27.1 | Very low | 172 Ų | 172 | 119.1 Ų | 119.1 | 75% | 0.748 | 69% | 0.689 | S | S | * | * | cis | -157.1 | 149.2 | 28.9 | -117.7 | 136.2 | -160.3 | 127.6 | 0 | 108.2 | ||||
| 280 | V | 26.6 | Very low | 27.3 | Very low | 123 Ų | 123 | 117 Ų | 117 | 75% | 0.745 | 69% | 0.692 | S | S | * | * | trans | 66.7 | 135.6 | 143.2 | 172.1 | 0 | 0 | 0 | 0 | 115.5 | L282 | V280-L282 HydrophobicContact CG1-CG 4.31Š| ||
| 281 | A | 28.8 | Very low | 27.3 | Very low | 81 Ų | 81 | 114.4 Ų | 114.4 | 67% | 0.669 | 69% | 0.692 | S | S | * | * | cis | -121.4 | 125.3 | 24.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 282 | L | 30.8 | Very low | 27.8 | Very low | 142 Ų | 142 | 114.1 Ų | 114.1 | 74% | 0.743 | 69% | 0.692 | S | S | * | * | 88.6 | 143.8 | 90.2 | -69 | 178.4 | 0 | 0 | 0 | 112 | V280 | V280-L282 HydrophobicContact CG1-CG 4.31Š| |||
| 283 | P | 28.7 | Very low | 27.7 | Very low | 97 Ų | 97 | 115.2 Ų | 115.2 | 63% | 0.63 | 70% | 0.695 | S | S | * | * | -139.5 | -157 | -71.2 | 31.4 | -8.4 | 0 | 0 | 0 | 111.4 | |||||
| 284 | L | 28.6 | Very low | 27.8 | Very low | 141 Ų | 141 | 113.6 Ų | 113.6 | 74% | 0.738 | 70% | 0.695 | S | S | * | * | trans | 71.6 | 92.1 | 156.9 | -63.9 | 168.6 | 0 | 0 | 0 | 114.7 | ||||
| 285 | T | 26.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 114.8 Ų | 114.8 | 71% | 0.712 | 71% | 0.706 | S | S | * | * | 67.6 | 140.6 | 83.6 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 286 | S | 26.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 111.9 Ų | 111.9 | 66% | 0.664 | 71% | 0.705 | S | S | * | * | cis | 169.7 | 161.8 | -10.7 | 54 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 287 | A | 27.7 | Very low | 28 | Very low | 86 Ų | 86 | 113.2 Ų | 113.2 | 71% | 0.711 | 72% | 0.719 | S | S | * | * | trans | 65.3 | 167.4 | 149.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 288 | T | 26 | Very low | 28.2 | Very low | 111 Ų | 111 | 110.3 Ų | 110.3 | 68% | 0.681 | 72% | 0.719 | S | S | * | * | cis | -165.6 | 155.6 | -32.3 | -88.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 289 | T | 26.3 | Very low | 28.5 | Very low | 130 Ų | 130 | 111.8 Ų | 111.8 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | trans | 63.6 | 164.9 | 166.5 | 42.5 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 290 | A | 30.8 | Very low | 28.7 | Very low | 87 Ų | 87 | 114.7 Ų | 114.7 | 72% | 0.719 | 74% | 0.736 | S | S | * | * | trans | 62.8 | 113.2 | 153.1 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 291 | A | 28.7 | Very low | 29.5 | Very low | 91 Ų | 91 | 113.2 Ų | 113.2 | 75% | 0.752 | 73% | 0.729 | S | S | * | * | cis | 55.8 | 135.6 | 21.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 292 | P | 37.7 | Very low | 29.7 | Very low | 109 Ų | 109 | 114.8 Ų | 114.8 | 71% | 0.708 | 73% | 0.732 | S | S | * | * | cis | -135.5 | -178.7 | -15.1 | 41.8 | -25.5 | 0 | 0 | 0 | 114.2 | ||||
| 293 | A | 28 | Very low | 29.5 | Very low | 94 Ų | 94 | 114.4 Ų | 114.4 | 78% | 0.777 | 73% | 0.731 | S | S | * | * | trans | 63.3 | -164.6 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 294 | T | 27.3 | Very low | 29.6 | Very low | 116 Ų | 116 | 115.9 Ų | 115.9 | 71% | 0.712 | 74% | 0.738 | S | S | * | * | trans | 68.2 | 74.6 | 173.1 | 24.7 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 295 | T | 27.5 | Very low | 29.5 | Very low | 131 Ų | 131 | 116.2 Ų | 116.2 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | 83 | 150.6 | 112.2 | 48.3 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 296 | A | 28.7 | Very low | 29.6 | Very low | 71 Ų | 71 | 113.7 Ų | 113.7 | 59% | 0.587 | 74% | 0.736 | S | S | * | * | trans | 84.5 | 108.1 | 140 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 297 | N | 28 | Very low | 29.7 | Very low | 169 Ų | 169 | 115.4 Ų | 115.4 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | 66.3 | 135.7 | 118.8 | -51.6 | -15.2 | 0 | 0 | 0 | 119.2 | |||||
| 298 | G | 30.2 | Very low | 29.7 | Very low | 68 Ų | 68 | 114.9 Ų | 114.9 | 70% | 0.701 | 74% | 0.738 | S | S | * | * | trans | 135.7 | 59.8 | -177.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 299 | S | 30.8 | Very low | 29.7 | Very low | 117 Ų | 117 | 115.5 Ų | 115.5 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | 88.1 | 76.5 | 84.5 | 70.1 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 300 | R | 29.2 | Very low | 29.8 | Very low | 233 Ų | 233 | 114.3 Ų | 114.3 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -23.3 | 162.9 | 132.5 | -159.5 | -147.7 | -179.2 | -166.1 | -0 | 114.4 | ||||
| 301 | P | 42.8 | Very low | 29.6 | Very low | 93 Ų | 93 | 117.3 Ų | 117.3 | 60% | 0.604 | 74% | 0.739 | S | S | * | * | -90.3 | -148.5 | -86.1 | 32.4 | -10 | 0 | 0 | 0 | 110 | |||||
| 302 | P | 33.6 | Very low | 29.5 | Very low | 113 Ų | 113 | 123 Ų | 123 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | -147.6 | 173.8 | 78.8 | 41.2 | -23.7 | 0 | 0 | 0 | 116 | |||||
| 303 | D | 27.3 | Very low | 29.1 | Very low | 135 Ų | 135 | 124.1 Ų | 124.1 | 72% | 0.722 | 74% | 0.741 | S | S | * | * | trans | -71.8 | 139.6 | 169.3 | -45.1 | -103.4 | 0 | 0 | 0 | 113.2 | ||||
| 304 | T | 28.9 | Very low | 29 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 78% | 0.779 | 74% | 0.741 | S | S | * | * | trans | -154.9 | 114.8 | 148 | 5.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 305 | I | 28.2 | Very low | 29.2 | Very low | 149 Ų | 149 | 126.4 Ų | 126.4 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | 52.6 | 97.5 | 58.1 | -49.9 | -179.3 | 0 | 0 | 0 | 110 | |||||
| 306 | G | 28.5 | Very low | 29.1 | Very low | 63 Ų | 63 | 125.9 Ų | 125.9 | 65% | 0.649 | 74% | 0.736 | S | S | * | * | trans | 170.8 | 65.5 | -173.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 307 | T | 27 | Very low | 28.9 | Very low | 130 Ų | 130 | 128 Ų | 128 | 80% | 0.798 | 74% | 0.742 | S | S | * | * | 52 | 134.4 | 84.8 | 72 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 308 | A | 27.6 | Very low | 28.8 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 62% | 0.62 | 74% | 0.735 | S | S | * | * | cis | -172.8 | -156 | -12.2 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 309 | T | 26.6 | Very low | 28.6 | Very low | 124 Ų | 124 | 127.1 Ų | 127.1 | 76% | 0.761 | 74% | 0.737 | S | S | * | * | trans | 43.7 | 128 | 141.5 | 50.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 310 | T | 28.4 | Very low | 28.3 | Very low | 105 Ų | 105 | 126.9 Ų | 126.9 | 64% | 0.644 | 74% | 0.736 | S | S | * | * | cis | -166.2 | 143.2 | 26.2 | 6.7 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 311 | D | 26.9 | Very low | 28.1 | Very low | 151 Ų | 151 | 124.9 Ų | 124.9 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | cis | 57.2 | 71.2 | 43.1 | -173.4 | 29.2 | 0 | 0 | 0 | 113.2 | ||||
| 312 | R | 27.4 | Very low | 27.3 | Very low | 210 Ų | 210 | 125.9 Ų | 125.9 | 79% | 0.792 | 74% | 0.743 | S | S | * | * | trans | -153.5 | 115.1 | 165.6 | -91.8 | -157.4 | 168.8 | 173.7 | -2.8 | 114 | ||||
| 313 | L | 27.9 | Very low | 27 | Very low | 133 Ų | 133 | 126.3 Ų | 126.3 | 70% | 0.696 | 75% | 0.749 | S | S | * | * | trans | 69.7 | 132 | 139 | -51.5 | 172.5 | 0 | 0 | 0 | 117 | ||||
| 314 | L | 27.3 | Very low | 27.1 | Very low | 151 Ų | 151 | 124 Ų | 124 | 79% | 0.791 | 74% | 0.743 | S | S | * | * | cis | 67.7 | 148.6 | 36.1 | -53.9 | 176.2 | 0 | 0 | 0 | 114.1 | ||||
| 315 | P | 29.6 | Very low | 27 | Very low | 107 Ų | 107 | 123.5 Ų | 123.5 | 70% | 0.695 | 74% | 0.744 | S | S | * | * | cis | -143.8 | -157.3 | -34 | 38.3 | -18.1 | 0 | 0 | 0 | 112.7 | ||||
| 316 | V | 25.4 | Very low | 27.3 | Very low | 119 Ų | 119 | 126.3 Ų | 126.3 | 72% | 0.721 | 75% | 0.751 | S | S | * | * | trans | 80.7 | 97.5 | 146.8 | 165 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 317 | T | 25.6 | Very low | 27.4 | Very low | 116 Ų | 116 | 128.3 Ų | 128.3 | 71% | 0.712 | 76% | 0.755 | S | S | * | * | trans | 45.3 | 134.6 | 131.9 | 70.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 318 | C | 25.2 | Very low | 27.5 | Very low | 112 Ų | 112 | 130.6 Ų | 130.6 | 76% | 0.757 | 76% | 0.757 | S | S | * | * | 151.7 | 131.5 | 114.4 | -87.9 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 319 | S | 25.6 | Very low | 27.3 | Very low | 106 Ų | 106 | 133.1 Ų | 133.1 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 68.8 | 101.7 | 139 | -55.8 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 320 | S | 25 | Very low | 27.3 | Very low | 112 Ų | 112 | 134.1 Ų | 134.1 | 78% | 0.783 | 77% | 0.765 | S | S | * | * | trans | 89.8 | 136.6 | 131.7 | 78.9 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 321 | K | 24.4 | Very low | 27.3 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 83% | 0.83 | 77% | 0.766 | S | S | * | * | trans | 83.4 | 95.4 | 165.3 | -60.4 | -171 | 178 | -176.5 | 0 | 120.1 | ||||
| 322 | S | 27.2 | Very low | 27.3 | Very low | 115 Ų | 115 | 139.1 Ų | 139.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | S | Bend | trans | 44.4 | 126.6 | 133.4 | 59.7 | 0 | 0 | 0 | 0 | 120.6 | ||
| 323 | S | 26.5 | Very low | 27.4 | Very low | 122 Ų | 122 | 133.7 Ų | 133.7 | 85% | 0.853 | 77% | 0.767 | S | S | * | * | cis | -135.9 | 157.1 | -0.1 | 49.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 324 | S | 29.3 | Very low | 27.7 | Very low | 87 Ų | 87 | 136.4 Ų | 136.4 | 61% | 0.608 | 78% | 0.776 | S | S | * | * | trans | -121.6 | 156.8 | -141.3 | 43.5 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 325 | S | 27.1 | Very low | 27.6 | Very low | 115 Ų | 115 | 133.6 Ų | 133.6 | 80% | 0.804 | 77% | 0.77 | S | S | * | * | cis | -168.5 | 160.1 | -19.3 | 49.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 326 | K | 35.4 | Very low | 27.5 | Very low | 208 Ų | 208 | 133.1 Ų | 133.1 | 90% | 0.904 | 77% | 0.774 | S | S | * | * | trans | -140.9 | 133.9 | 176.4 | -87.3 | -173.7 | 174.8 | -178.8 | 0 | 112.4 | ||||
| 327 | S | 31.2 | Very low | 27.5 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | 177.4 | 159.1 | 155 | 47.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 328 | E | 27.2 | Very low | 27.5 | Very low | 177 Ų | 177 | 137.5 Ų | 137.5 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | cis | -152 | 154.3 | -23.5 | -95.6 | 160.7 | 119.9 | 0 | 0 | 103.1 | ||||
| 329 | V | 25.4 | Very low | 27.6 | Very low | 129 Ų | 129 | 136.9 Ų | 136.9 | 78% | 0.782 | 78% | 0.777 | S | S | * | * | -158.8 | 119.1 | 56 | 167.3 | 0 | 0 | 0 | 0 | 104.2 | |||||
| 330 | N | 26.4 | Very low | 27.6 | Very low | 145 Ų | 145 | 141.4 Ų | 141.4 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | 76.5 | 147.8 | 74.8 | -159.8 | 15.3 | 0 | 0 | 0 | 113.6 | |||||
| 331 | E | 27.4 | Very low | 27.7 | Very low | 141 Ų | 141 | 143.4 Ų | 143.4 | 66% | 0.659 | 78% | 0.778 | S | S | * | * | trans | 71.8 | 137 | -174.1 | -61.2 | -146.5 | 108.5 | 0 | 0 | 117.9 | ||||
| 332 | R | 26.7 | Very low | 27.9 | Very low | 219 Ų | 219 | 140.2 Ų | 140.2 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | cis | -167.4 | 90.7 | -18.5 | -164.5 | 176 | -162.3 | 145.8 | -6.5 | 111.9 | ||||
| 333 | A | 29.6 | Very low | 28 | Very low | 97 Ų | 97 | 139 Ų | 139 | 80% | 0.802 | 75% | 0.754 | S | S | * | * | trans | -153.5 | 141.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 334 | E | 34 | Very low | 28.1 | Very low | 189 Ų | 189 | 142.1 Ų | 142.1 | 88% | 0.883 | 75% | 0.747 | S | S | * | * | trans | 52.2 | 82.2 | 153.3 | -63.8 | -179.3 | -179.7 | 0 | 0 | 119.7 | ||||
| 335 | S | 25.9 | Very low | 28.1 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 65% | 0.65 | 75% | 0.753 | S | S | * | * | trans | -52.1 | 146.6 | 139.8 | 52.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 336 | A | 27.1 | Very low | 28.2 | Very low | 96 Ų | 96 | 144.5 Ų | 144.5 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | cis | 67.6 | 51.7 | 26 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 337 | I | 25.9 | Very low | 28 | Very low | 150 Ų | 150 | 140.1 Ų | 140.1 | 77% | 0.769 | 74% | 0.737 | S | S | * | * | trans | -127.6 | 106 | 154.1 | -62.6 | 177.8 | 0 | 0 | 0 | 103.5 | ||||
| 338 | Q | 24.4 | Very low | 28 | Very low | 177 Ų | 177 | 140 Ų | 140 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | cis | 65.7 | 160.9 | 42.3 | -112.9 | -150.4 | -6.8 | 0 | 0 | 112.1 | ||||
| 339 | P | 28.7 | Very low | 28.3 | Very low | 99 Ų | 99 | 138.7 Ų | 138.7 | 64% | 0.643 | 73% | 0.731 | S | S | * | * | -127.9 | 179.4 | -118.3 | 40.6 | -24.1 | 0 | 0 | 0 | 114.2 | |||||
| 340 | Y | 25.1 | Very low | 28.8 | Very low | 202 Ų | 202 | 137 Ų | 137 | 79% | 0.792 | 73% | 0.725 | S | S | * | * | trans | 66.8 | 137.4 | 144.4 | -126.4 | -122.5 | 0 | 0 | 0 | 118.8 | ||||
| 341 | M | 27.8 | Very low | 29.1 | Very low | 153 Ų | 153 | 137.3 Ų | 137.3 | 75% | 0.754 | 73% | 0.727 | S | S | * | * | trans | 65.4 | 152.9 | 171.5 | -57.4 | -179.7 | 172.3 | 0 | 0 | 113.7 | ||||
| 342 | D | 27.3 | Very low | 29.4 | Very low | 124 Ų | 124 | 136.8 Ų | 136.8 | 66% | 0.663 | 74% | 0.737 | S | S | * | * | cis | -158.2 | 170 | -11.2 | -121.2 | -1.1 | 0 | 0 | 0 | 105.8 | ||||
| 343 | N | 29.4 | Very low | 29.7 | Very low | 89 Ų | 89 | 132.6 Ų | 132.6 | 48% | 0.476 | 73% | 0.731 | S | S | . | * | cis | -167.7 | 157.6 | 18.8 | -134 | -55.5 | 0 | 0 | 0 | 107.9 | ||||
| 344 | R | 28.8 | Very low | 30.4 | Very low | 188 Ų | 188 | 133.2 Ų | 133.2 | 71% | 0.709 | 73% | 0.727 | S | S | * | * | trans | 66.5 | 148.1 | 151.8 | -66.5 | 152.6 | -150 | -160.3 | 6.8 | 117.8 | ||||
| 345 | Q | 30.3 | Very low | 30.5 | Very low | 156 Ų | 156 | 130.1 Ų | 130.1 | 73% | 0.729 | 72% | 0.721 | S | S | * | * | cis | -153.3 | 125.5 | -4 | -118.5 | 151.4 | -13.7 | 0 | 0 | 107.3 | ||||
| 346 | S | 28 | Very low | 31 | Very low | 97 Ų | 97 | 133.9 Ų | 133.9 | 68% | 0.678 | 73% | 0.725 | S | S | * | * | 67.8 | 135.2 | 99.4 | 84.3 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 347 | T | 31.6 | Very low | 31.4 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | cis | -161.2 | 157.3 | 33.2 | 37.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 348 | T | 31.8 | Very low | 32 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 64% | 0.638 | 71% | 0.713 | S | S | * | * | trans | 61.9 | 116.8 | 143.9 | 54.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 349 | N | 32.7 | Very low | 32.5 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 80% | 0.797 | 71% | 0.714 | S | S | * | * | 91.6 | 148.2 | 89.7 | -69.2 | 4.2 | 0 | 0 | 0 | 113.9 | |||||
| 350 | S | 35.6 | Very low | 32.9 | Very low | 93 Ų | 93 | 129.5 Ų | 129.5 | 65% | 0.65 | 71% | 0.712 | S | S | * | * | cis | -175.6 | 144.2 | -15.6 | 51.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 351 | N | 32.9 | Very low | 33.4 | Very low | 153 Ų | 153 | 125.3 Ų | 125.3 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | 46.1 | 126.4 | 151.7 | -55.7 | 0.8 | 0 | 0 | 0 | 122.7 | ||||
| 352 | C | 33.7 | Very low | 33.7 | Very low | 129 Ų | 129 | 122.7 Ų | 122.7 | 87% | 0.872 | 71% | 0.709 | S | S | * | * | 166.9 | 130.9 | 105.1 | -83.3 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 353 | D | 34.4 | Very low | 34.1 | Very low | 132 Ų | 132 | 122 Ų | 122 | 71% | 0.706 | 71% | 0.714 | S | S | * | * | trans | -74.5 | -178.6 | 158.9 | -82.4 | -66 | 0 | 0 | 0 | 111.5 | ||||
| 354 | P | 42.9 | Very low | 34.3 | Very low | 109 Ų | 109 | 122.8 Ų | 122.8 | 71% | 0.708 | 73% | 0.726 | S | S | * | * | cis | -152.9 | 163.7 | 24.3 | 44.5 | -22.8 | 0 | 0 | 0 | 121.9 | ||||
| 355 | V | 36 | Very low | 34.7 | Very low | 125 Ų | 125 | 118.3 Ų | 118.3 | 76% | 0.758 | 72% | 0.724 | S | S | * | * | trans | 38.2 | 139.2 | 130.7 | -174.5 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 356 | K | 36.2 | Very low | 34.8 | Very low | 171 Ų | 171 | 116.6 Ų | 116.6 | 74% | 0.743 | 72% | 0.724 | S | S | * | * | trans | 164.3 | 151.8 | 133.1 | -89.2 | -178.1 | 160.9 | -65.2 | 0 | 111.3 | ||||
| 357 | D | 35.8 | Very low | 35.1 | Very low | 116 Ų | 116 | 117.3 Ų | 117.3 | 62% | 0.62 | 73% | 0.729 | S | S | * | * | cis | -160.3 | 163.7 | -3.9 | -108.5 | -22.6 | 0 | 0 | 0 | 110.3 | ||||
| 358 | A | 38 | Very low | 35.2 | Very low | 83 Ų | 83 | 117 Ų | 117 | 69% | 0.686 | 73% | 0.732 | S | S | * | * | trans | 66.5 | 150.5 | 156.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 359 | D | 35.3 | Very low | 35.3 | Very low | 157 Ų | 157 | 116.8 Ų | 116.8 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | cis | -172 | 163 | -20.3 | -100.6 | -15.9 | 0 | 0 | 0 | 107.6 | ||||
| 360 | A | 36.5 | Very low | 35.2 | Very low | 74 Ų | 74 | 115 Ų | 115 | 61% | 0.612 | 73% | 0.734 | S | S | * | * | cis | -170 | 169.5 | -19.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 361 | S | 36.2 | Very low | 35 | Very low | 115 Ų | 115 | 115.2 Ų | 115.2 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | 69.8 | 138.2 | 156.5 | 67 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 362 | S | 34.6 | Very low | 35 | Very low | 98 Ų | 98 | 113.1 Ų | 113.1 | 69% | 0.685 | 73% | 0.733 | S | S | * | * | cis | -166.6 | 144.9 | -9.7 | 48 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 363 | S | 34.9 | Very low | 34.9 | Very low | 108 Ų | 108 | 112.1 Ų | 112.1 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | 59.3 | 142.1 | 143.9 | 60.2 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 364 | S | 35.1 | Very low | 34.9 | Very low | 106 Ų | 106 | 110.1 Ų | 110.1 | 74% | 0.741 | 72% | 0.724 | S | S | * | * | cis | -169.9 | -169.5 | -13.7 | 56.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 365 | S | 35.4 | Very low | 35.2 | Very low | 94 Ų | 94 | 110.7 Ų | 110.7 | 66% | 0.657 | 73% | 0.727 | S | S | * | * | cis | -167.6 | 148.4 | 7.7 | 6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 366 | T | 32.4 | Very low | 35.6 | Very low | 120 Ų | 120 | 110.4 Ų | 110.4 | 74% | 0.736 | 73% | 0.728 | S | S | * | * | cis | -169.2 | 168.8 | -6.8 | 10.2 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 367 | S | 34.4 | Very low | 36 | Very low | 112 Ų | 112 | 107.7 Ų | 107.7 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | 66.9 | 159.1 | 167.6 | 18.6 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 368 | S | 34.4 | Very low | 36.5 | Very low | 108 Ų | 108 | 106.1 Ų | 106.1 | 76% | 0.755 | 72% | 0.724 | S | S | * | * | cis | -164.9 | 148.4 | -11.6 | 39.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 369 | S | 33.6 | Very low | 36.8 | Very low | 101 Ų | 101 | 108.1 Ų | 108.1 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -168.4 | 146 | -9.5 | 43.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 370 | S | 31.7 | Very low | 37.3 | Very low | 110 Ų | 110 | 106 Ų | 106 | 77% | 0.769 | 73% | 0.725 | S | S | * | * | trans | 59.4 | 143.3 | 154.5 | 51.6 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 371 | S | 31.6 | Very low | 37.6 | Very low | 98 Ų | 98 | 108 Ų | 108 | 69% | 0.685 | 73% | 0.732 | S | S | * | * | cis | 178.6 | 148.6 | -14.7 | 47.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 372 | S | 31.6 | Very low | 37.8 | Very low | 109 Ų | 109 | 108.3 Ų | 108.3 | 76% | 0.762 | 73% | 0.731 | S | S | * | * | trans | 60.8 | 155.8 | 151.8 | 50.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 373 | S | 32.4 | Very low | 38.1 | Very low | 108 Ų | 108 | 109 Ų | 109 | 76% | 0.755 | 73% | 0.733 | S | S | * | * | cis | 179.9 | 163.5 | -1.1 | 40.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 374 | S | 33.9 | Very low | 38.3 | Very low | 91 Ų | 91 | 109.5 Ų | 109.5 | 64% | 0.636 | 73% | 0.734 | S | S | * | * | cis | -168.1 | 165 | -9.8 | -88.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 375 | P | 48.5 | Very low | 38.5 | Very low | 121 Ų | 121 | 110 Ų | 110 | 79% | 0.786 | 73% | 0.734 | S | S | * | * | trans | -82.2 | -167.6 | 173.9 | 36.8 | -38.7 | 0 | 0 | 0 | 113.4 | ||||
| 376 | P | 44.8 | Very low | 38.3 | Very low | 119 Ų | 119 | 110.2 Ų | 110.2 | 77% | 0.773 | 74% | 0.742 | S | S | * | * | cis | -124.7 | -137.9 | 4.1 | 39.9 | -17 | 0 | 0 | 0 | 111.9 | ||||
| 377 | P | 44.7 | Very low | 38.3 | Very low | 114 Ų | 114 | 108.9 Ų | 108.9 | 74% | 0.74 | 74% | 0.743 | S | S | * | * | cis | -134.6 | -177.5 | -14.3 | 38 | -16.1 | 0 | 0 | 0 | 117.4 | ||||
| 378 | P | 45.5 | Very low | 38.2 | Very low | 82 Ų | 82 | 108.1 Ų | 108.1 | 53% | 0.532 | 74% | 0.744 | S | S | . | * | trans | -103.6 | 166.9 | 178.2 | 40.6 | -35.2 | 0 | 0 | 0 | 115.5 | D51 | D51-P378 VanDerWaalsContact OD2-CG 3.24Å; D51-P378 WeakPolarHBondContact OD2-CG 3.29Å | ||
| 379 | P | 45.5 | Very low | 38.1 | Very low | 126 Ų | 126 | 107.9 Ų | 107.9 | 82% | 0.818 | 74% | 0.742 | S | S | * | * | -154.1 | -143 | 97.9 | 34.5 | -8.9 | 0 | 0 | 0 | 114.3 | |||||
| 380 | P | 45.5 | Very low | 37.9 | Very low | 113 Ų | 113 | 110.2 Ų | 110.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | -119.8 | 173.9 | -81 | 37.2 | -20.3 | 0 | 0 | 0 | 116.8 | |||||
| 381 | P | 43.1 | Very low | 37.9 | Very low | 116 Ų | 116 | 110.8 Ų | 110.8 | 75% | 0.753 | 75% | 0.745 | S | S | * | * | trans | -92.4 | -177.2 | 173.3 | 39 | -37.5 | 0 | 0 | 0 | 113.8 | ||||
| 382 | P | 41 | Very low | 37.9 | Very low | 121 Ų | 121 | 114.4 Ų | 114.4 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | cis | -120.2 | -129.5 | -3.3 | 31.9 | -6.7 | 0 | 0 | 0 | 110.5 | ||||
| 383 | P | 39.5 | Very low | 37.8 | Very low | 112 Ų | 112 | 115.6 Ų | 115.6 | 73% | 0.727 | 75% | 0.753 | S | S | * | * | cis | -134.9 | -177.1 | -21 | 40.8 | -21.1 | 0 | 0 | 0 | 116.7 | ||||
| 384 | P | 39.7 | Very low | 37.7 | Very low | 119 Ų | 119 | 118.5 Ų | 118.5 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -109.2 | -170 | 175.7 | 44.1 | -36.4 | 0 | 0 | 0 | 113.6 | ||||
| 385 | P | 39.7 | Very low | 37.3 | Very low | 115 Ų | 115 | 119 Ų | 119 | 75% | 0.747 | 77% | 0.767 | S | S | * | * | cis | -129.4 | -175.2 | -15.1 | 42.1 | -26.5 | 0 | 0 | 0 | 115 | ||||
| 386 | A | 31.8 | Very low | 36.4 | Very low | 100 Ų | 100 | 116.6 Ų | 116.6 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | 67.5 | 157.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 387 | A | 31.6 | Very low | 35.6 | Very low | 92 Ų | 92 | 115.9 Ų | 115.9 | 76% | 0.76 | 77% | 0.768 | S | S | * | * | cis | -167.1 | 161.6 | -26.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 388 | A | 31.1 | Very low | 34.8 | Very low | 96 Ų | 96 | 115.6 Ų | 115.6 | 79% | 0.793 | 78% | 0.776 | S | S | * | * | trans | 58.9 | 118.4 | 156.6 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 389 | S | 33.3 | Very low | 33.9 | Very low | 103 Ų | 103 | 116.3 Ų | 116.3 | 72% | 0.72 | 78% | 0.782 | S | S | * | * | -165.9 | 114.9 | 116 | 62.4 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 390 | D | 28.4 | Very low | 33.1 | Very low | 150 Ų | 150 | 112.3 Ų | 112.3 | 80% | 0.802 | 76% | 0.76 | S | S | * | * | 40.7 | 138 | 126.2 | -41.6 | -48.9 | 0 | 0 | 0 | 119.5 | |||||
| 391 | V | 33.3 | Very low | 32.3 | Very low | 121 Ų | 121 | 109 Ų | 109 | 73% | 0.733 | 75% | 0.746 | S | S | * | * | -149.7 | 142.9 | 59.8 | 161 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 392 | E | 30.8 | Very low | 31.6 | Very low | 174 Ų | 174 | 108.2 Ų | 108.2 | 81% | 0.813 | 74% | 0.736 | S | S | * | * | trans | 13.8 | 144.1 | 147.8 | -48.4 | 177.8 | 123.6 | 0 | 0 | 119.9 | ||||
| 393 | V | 29.7 | Very low | 31 | Very low | 134 Ų | 134 | 112.7 Ų | 112.7 | 81% | 0.812 | 74% | 0.737 | S | S | * | * | cis | -144 | 154.6 | 43.1 | 178.3 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 394 | M | 29.5 | Very low | 30.5 | Very low | 169 Ų | 169 | 115.9 Ų | 115.9 | 83% | 0.833 | 74% | 0.742 | S | S | * | * | trans | -56.6 | 153 | 174.8 | -62.4 | 178.8 | -76.6 | 0 | 0 | 113.9 | ||||
| 395 | A | 26.7 | Very low | 29.9 | Very low | 102 Ų | 102 | 114.8 Ų | 114.8 | 84% | 0.843 | 74% | 0.737 | S | S | * | * | cis | 76.7 | 74 | 30.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 396 | G | 29.4 | Very low | 29.4 | Very low | 71 Ų | 71 | 115.5 Ų | 115.5 | 73% | 0.732 | 74% | 0.739 | S | S | * | * | trans | 168.4 | 108.6 | 169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 397 | A | 28.5 | Very low | 29.5 | Very low | 103 Ų | 103 | 117.1 Ų | 117.1 | 85% | 0.851 | 74% | 0.739 | S | S | * | * | 86.9 | 151.1 | 60.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 398 | A | 28.1 | Very low | 29.3 | Very low | 109 Ų | 109 | 116.8 Ų | 116.8 | 90% | 0.901 | 74% | 0.736 | S | S | * | * | trans | 71.3 | 139.8 | -174 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 399 | S | 26.6 | Very low | 29.4 | Very low | 96 Ų | 96 | 117.6 Ų | 117.6 | 67% | 0.671 | 73% | 0.733 | S | S | * | * | trans | -87.7 | 171.2 | 179.4 | 51.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 400 | A | 28.6 | Very low | 29.2 | Very low | 43 Ų | 43 | 121.2 Ų | 121.2 | 36% | 0.355 | 74% | 0.739 | S | S | . | * | trans | 82.4 | 129 | 149.5 | 0 | 0 | 0 | 0 | 0 | 119.6 | S1675 P1676 V1677 | A400-S1675 WeakPolarHBondContact CA-OG 3.43Å; A400-S1675 VanDerWaalsContact CB-CA 3.49Å; A400-S1675 VanDerWaalsContact CB-CB 3.43Å; A400-S1675 WeakPolarHBondContact CB-OG 3.39Å; A400-P1676 HydrophobicContact CB-CB 3.85Å; A400-V1677 WeakPolarHBondContact O-CG2 3.41Å | ||
| 401 | G | 28.5 | Very low | 29.5 | Very low | 43 Ų | 43 | 119.3 Ų | 119.3 | 44% | 0.443 | 73% | 0.734 | S | S | . | * | cis | 155.7 | 176.4 | -8.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | P1676 | G401-P1676 WeakPolarHBondContact O-CB 3.47Š| ||
| 402 | D | 28.3 | Very low | 29.3 | Very low | 99 Ų | 99 | 118.7 Ų | 118.7 | 53% | 0.529 | 74% | 0.742 | S | S | . | * | trans | 67.6 | 138.6 | 171.6 | -104.6 | 15.5 | 0 | 0 | 0 | 122.3 | P1676 | D402-P1676 HydrophobicContact CB-CB 4.37Å; D402-P1676 HydrophobicContact CB-CG 3.48Å; D402-P1676 VanDerWaalsContact CB-CG 3.48Å | ||
| 403 | R | 28.7 | Very low | 29.3 | Very low | 215 Ų | 215 | 114 Ų | 114 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | 65 | 140.7 | 151.8 | -67.3 | 167.3 | 158.1 | 116.6 | -7.8 | 115.1 | ||||
| 404 | E | 28.3 | Very low | 29.3 | Very low | 180 Ų | 180 | 112.5 Ų | 112.5 | 84% | 0.841 | 74% | 0.736 | S | S | * | * | cis | -141 | 165.5 | 26.7 | -78.4 | -172.5 | 137.6 | 0 | 0 | 110.3 | ||||
| 405 | S | 27.9 | Very low | 29.3 | Very low | 95 Ų | 95 | 111.4 Ų | 111.4 | 66% | 0.664 | 73% | 0.734 | S | S | * | * | cis | -172.8 | -172.9 | -9.6 | 51.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 406 | V | 28.9 | Very low | 29.4 | Very low | 130 Ų | 130 | 111.7 Ų | 111.7 | 79% | 0.788 | 73% | 0.729 | S | S | * | * | trans | 72.8 | 124.9 | 160.8 | 173.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 407 | V | 32.7 | Very low | 29.4 | Very low | 135 Ų | 135 | 113.3 Ų | 113.3 | 82% | 0.818 | 73% | 0.729 | S | S | * | * | cis | -155.5 | 165.2 | -1.9 | 112.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 408 | A | 27.9 | Very low | 29.4 | Very low | 84 Ų | 84 | 113.5 Ų | 113.5 | 69% | 0.694 | 73% | 0.725 | S | S | * | * | trans | -93.2 | -157.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 409 | P | 33.4 | Very low | 29.3 | Very low | 114 Ų | 114 | 112.8 Ų | 112.8 | 74% | 0.74 | 72% | 0.719 | S | S | * | * | cis | -114.4 | 179.4 | -3.7 | 39.3 | -20.9 | 0 | 0 | 0 | 112.5 | ||||
| 410 | Q | 28.9 | Very low | 29.3 | Very low | 179 Ų | 179 | 113.6 Ų | 113.6 | 84% | 0.836 | 72% | 0.724 | S | S | * | * | cis | 63.3 | 152.9 | 43.2 | -96 | -160.7 | 10.6 | 0 | 0 | 115.4 | ||||
| 411 | P | 35.2 | Very low | 29.1 | Very low | 109 Ų | 109 | 117 Ų | 117 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | cis | -138.2 | -169.7 | -5.8 | 42.9 | -24.7 | 0 | 0 | 0 | 115.7 | ||||
| 412 | A | 29.1 | Very low | 28.9 | Very low | 108 Ų | 108 | 120.6 Ų | 120.6 | 89% | 0.893 | 75% | 0.754 | S | S | * | * | trans | 59.1 | 146.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 413 | G | 30 | Very low | 28.7 | Very low | 76 Ų | 76 | 120.5 Ų | 120.5 | 78% | 0.784 | 76% | 0.757 | S | S | * | * | cis | 153 | 168.8 | 20.5 | 0 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 414 | S | 30.9 | Very low | 28.6 | Very low | 103 Ų | 103 | 114.4 Ų | 114.4 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | cis | -163 | 168.2 | -2.4 | 56.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 415 | N | 29.2 | Very low | 28.5 | Very low | 146 Ų | 146 | 111.7 Ų | 111.7 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 77.6 | 129.1 | 156.7 | -62.1 | -11.3 | 0 | 0 | 0 | 124 | ||||
| 416 | S | 29.1 | Very low | 28.4 | Very low | 107 Ų | 107 | 110.3 Ų | 110.3 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 77.9 | 115.2 | 139 | 52.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 417 | S | 28.4 | Very low | 28.2 | Very low | 105 Ų | 105 | 110.5 Ų | 110.5 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | trans | 79.8 | 128.4 | 131.8 | 57.8 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 418 | S | 29.5 | Very low | 27.8 | Very low | 108 Ų | 108 | 109.4 Ų | 109.4 | 76% | 0.755 | 73% | 0.727 | S | S | * | * | trans | 64.4 | 101.2 | 140.7 | 59.8 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 419 | A | 25.8 | Very low | 27.6 | Very low | 94 Ų | 94 | 114.3 Ų | 114.3 | 78% | 0.777 | 73% | 0.733 | S | S | * | * | 72.2 | 146.1 | 129 | 0 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 420 | S | 25.7 | Very low | 27.2 | Very low | 112 Ų | 112 | 116.2 Ų | 116.2 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | 78.7 | 144.5 | 165.5 | 83.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 421 | T | 23.8 | Very low | 27 | Very low | 114 Ų | 114 | 113 Ų | 113 | 70% | 0.699 | 74% | 0.741 | S | S | * | * | trans | 1 | 119.2 | 153.3 | 23.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 422 | T | 24.9 | Very low | 26.5 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 74% | 0.736 | 74% | 0.743 | S | S | * | * | 57.2 | 159 | 123.7 | 59.4 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 423 | V | 24.1 | Very low | 26.4 | Very low | 97 Ų | 97 | 110.4 Ų | 110.4 | 59% | 0.588 | 74% | 0.736 | S | S | * | * | trans | 84.4 | 144 | 158 | -149.1 | 0 | 0 | 0 | 0 | 118.1 | M491 | V423-M491 HydrophobicContact CG1-SD 4.06Š| ||
| 424 | S | 27.4 | Very low | 26.3 | Very low | 87 Ų | 87 | 113.4 Ų | 113.4 | 61% | 0.608 | 74% | 0.739 | S | S | * | * | trans | 66 | 115.5 | 149.8 | 49.8 | 0 | 0 | 0 | 0 | 121 | ||||
| 425 | S | 25.7 | Very low | 26.1 | Very low | 122 Ų | 122 | 112.7 Ų | 112.7 | 85% | 0.853 | 75% | 0.748 | S | S | * | * | -95.7 | 124.9 | 119.3 | -61 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 426 | P | 25.7 | Very low | 26.1 | Very low | 66 Ų | 66 | 109.3 Ų | 109.3 | 43% | 0.429 | 75% | 0.748 | S | S | . | * | trans | -90.7 | -159.3 | 163.5 | 39.2 | -32.7 | 0 | 0 | 0 | 109 | ||||
| 427 | N | 25.5 | Very low | 26.2 | Very low | 134 Ų | 134 | 110.5 Ų | 110.5 | 72% | 0.717 | 75% | 0.753 | S | S | * | * | trans | 70.2 | 150.6 | 156.9 | -75.1 | 0.4 | 0 | 0 | 0 | 114.9 | ||||
| 428 | V | 24.5 | Very low | 26.2 | Very low | 113 Ų | 113 | 110.1 Ų | 110.1 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | cis | 170.1 | 147 | -9.5 | 126.3 | 0 | 0 | 0 | 0 | 102.8 | N430 | V428-N430 PolarHBondContact O-N 2.6Š| ||
| 429 | F | 23 | Very low | 26.1 | Very low | 186 Ų | 186 | 110.8 Ų | 110.8 | 82% | 0.816 | 76% | 0.755 | S | S | * | * | trans | -9.3 | 119.5 | 154 | -79.7 | -111.4 | 0 | 0 | 0 | 117.1 | ||||
| 430 | N | 25.5 | Very low | 26.3 | Very low | 154 Ų | 154 | 113 Ų | 113 | 82% | 0.824 | 75% | 0.754 | S | S | * | * | -168.3 | 102.5 | 120.6 | -101.2 | -27.5 | 0 | 0 | 0 | 112.6 | V428 G432 | V428-N430 PolarHBondContact O-N 2.6Å; N430-G432 PolarHBondContact O-N 2.88Å | |||
| 431 | A | 24.9 | Very low | 26.4 | Very low | 111 Ų | 111 | 112.7 Ų | 112.7 | 92% | 0.917 | 75% | 0.747 | S | S | * | * | trans | -74.5 | 112.2 | 150.5 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 432 | G | 24.6 | Very low | 26.6 | Very low | 73 Ų | 73 | 115.2 Ų | 115.2 | 75% | 0.753 | 76% | 0.756 | S | S | * | * | trans | -129.5 | 18.8 | -160.1 | 0 | 0 | 0 | 0 | 0 | 116.8 | N430 | N430-G432 PolarHBondContact O-N 2.88Š| ||
| 433 | A | 25.9 | Very low | 26.9 | Very low | 91 Ų | 91 | 113.3 Ų | 113.3 | 75% | 0.752 | 76% | 0.76 | S | S | * | * | trans | -165.4 | 134.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 434 | T | 27.1 | Very low | 27.1 | Very low | 138 Ų | 138 | 118.2 Ų | 118.2 | 85% | 0.847 | 77% | 0.774 | S | S | * | * | cis | -156.7 | 122.2 | -12.2 | 32.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 435 | G | 28.8 | Very low | 27.1 | Very low | 88 Ų | 88 | 121.8 Ų | 121.8 | 91% | 0.907 | 78% | 0.781 | S | S | * | * | trans | 73.3 | 132.7 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 436 | G | 28 | Very low | 27.2 | Very low | 75 Ų | 75 | 121 Ų | 121 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | 126.2 | 111.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 437 | P | 31.9 | Very low | 27.3 | Very low | 132 Ų | 132 | 125.4 Ų | 125.4 | 86% | 0.857 | 79% | 0.793 | S | S | * | * | trans | -97.2 | 177.6 | -177.2 | 38.2 | -35.8 | 0 | 0 | 0 | 114.4 | ||||
| 438 | A | 28 | Very low | 27.4 | Very low | 97 Ų | 97 | 126.2 Ų | 126.2 | 80% | 0.802 | 80% | 0.797 | S | S | * | * | trans | 95.1 | 141.3 | 161.8 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 439 | V | 28.2 | Very low | 27.6 | Very low | 122 Ų | 122 | 125.4 Ų | 125.4 | 74% | 0.739 | 79% | 0.794 | S | S | * | * | cis | -166.3 | 153.2 | -27.3 | 82 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 440 | L | 28.1 | Very low | 27.9 | Very low | 142 Ų | 142 | 122.2 Ų | 122.2 | 74% | 0.743 | 79% | 0.793 | S | S | * | * | trans | 59.6 | 117.5 | 167.2 | -57 | 173.2 | 0 | 0 | 0 | 117.6 | ||||
| 441 | T | 28.9 | Very low | 28.3 | Very low | 105 Ų | 105 | 118.5 Ų | 118.5 | 64% | 0.644 | 77% | 0.772 | S | S | * | * | cis | 87.5 | 110.3 | 42.8 | 67 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 442 | N | 29 | Very low | 29.1 | Very low | 166 Ų | 166 | 118 Ų | 118 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | 161.7 | 142.3 | 112.9 | -84.7 | -31.6 | 0 | 0 | 0 | 113.7 | |||||
| 443 | G | 31.1 | Very low | 30 | Very low | 80 Ų | 80 | 116.8 Ų | 116.8 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | trans | 154 | 53.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 444 | F | 26.6 | Very low | 30.7 | Very low | 201 Ų | 201 | 115.1 Ų | 115.1 | 88% | 0.882 | 71% | 0.714 | S | S | * | * | trans | -87.2 | 140.6 | -179.8 | -109.5 | -96.8 | 0 | 0 | 0 | 112.8 | ||||
| 445 | E | 29.3 | Very low | 32 | Very low | 161 Ų | 161 | 115.4 Ų | 115.4 | 75% | 0.752 | 70% | 0.701 | S | S | * | * | trans | -149.1 | 148.2 | 136.3 | -113.2 | -178.8 | 168.4 | 0 | 0 | 108.9 | ||||
| 446 | P | 25.9 | Very low | 33 | Very low | 107 Ų | 107 | 112.6 Ų | 112.6 | 70% | 0.695 | 67% | 0.666 | S | S | * | * | trans | -94.6 | 113.1 | -158.5 | 34.4 | -33 | 0 | 0 | 0 | 113.9 | ||||
| 447 | N | 28.4 | Very low | 34.2 | Very low | 158 Ų | 158 | 114.4 Ų | 114.4 | 85% | 0.845 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 134.7 | 161.9 | -86.3 | -64.1 | 0 | 0 | 0 | 110.6 | ||
| 448 | L | 27.8 | Very low | 35.4 | Very low | 151 Ų | 151 | 108.4 Ų | 108.4 | 79% | 0.791 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 150.5 | -169 | -77.2 | 65 | 0 | 0 | 0 | 112.5 | C450 | L448-C450 PolarHBondContact O-N 2.88Š|
| 449 | P | 28.7 | Very low | 36.6 | Very low | 96 Ų | 96 | 107.5 Ų | 107.5 | 62% | 0.623 | 60% | 0.597 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 121 | 164 | 27.4 | -33.2 | 0 | 0 | 0 | 108.9 | M451 | P449-M451 HydrophobicContact CB-CE 4.35Å; P449-M451 HydrophobicContact CB-CG 4.46Å; P449-M451 HydrophobicContact CG-CE 4.28Å; P449-M451 HydrophobicContact CG-CG 4.46Å; P449-M451 PolarHBondContact O-N 2.8Å |
| 450 | C | 29.3 | Very low | 37.9 | Very low | 119 Ų | 119 | 108.8 Ų | 108.8 | 80% | 0.804 | 60% | 0.599 | S | S | * | * | trans | -74.3 | 72.3 | 178.2 | 56.2 | 0 | 0 | 0 | 0 | 110.7 | L448 T452 | L448-C450 PolarHBondContact O-N 2.88Å; C450-T452 VanDerWaalsContact C-N 3.33Å; C450-T452 PolarHBondContact O-N 3.1Å | ||
| 451 | M | 34.8 | Very low | 39.4 | Very low | 76 Ų | 76 | 105.4 Ų | 105.4 | 37% | 0.374 | 60% | 0.599 | S | S | . | * | trans | -62.5 | 87 | 177.4 | -67.1 | -63.4 | -164.3 | 0 | 0 | 110.5 | P449 P453 V484 E486 | P449-M451 HydrophobicContact CB-CE 4.35Å; P449-M451 HydrophobicContact CB-CG 4.46Å; P449-M451 HydrophobicContact CG-CE 4.28Å; P449-M451 HydrophobicContact CG-CG 4.46Å; P449-M451 PolarHBondContact O-N 2.8Å; M451-P453 WeakPolarHBondContact O-CD 3.47Å; M451-P453 VanDerWaalsContact O-N 3.16Å; M451-V484 HydrophobicContact CB-CG1 3.98Å; M451-V484 HydrophobicContact CE-CG1 3.98Å; M451-V484 HydrophobicContact CG-CG1 3.78Å; M451-V484 HydrophobicContact SD-CG1 3.5Å; M451-V484 VanDerWaalsContact SD-CG1 3.5Å; M451-E486 HydrophobicContact CE-CG 4.36Å | ||
| 452 | T | 41 | Very low | 40.6 | Very low | 101 Ų | 101 | 105.3 Ų | 105.3 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | trans | -62.1 | 111.4 | 176.1 | 37.5 | 0 | 0 | 0 | 0 | 109.6 | C450 I454 | C450-T452 VanDerWaalsContact C-N 3.33Å; C450-T452 PolarHBondContact O-N 3.1Å; T452-I454 PolarHBondContact O-N 2.84Å | ||
| 453 | P | 42.9 | Very low | 41.8 | Very low | 47 Ų | 47 | 101 Ų | 101 | 31% | 0.305 | 57% | 0.57 | S | S | . | * | trans | -74.1 | 122.1 | -175.5 | 28.6 | -32.4 | 0 | 0 | 0 | 110.5 | M451 Y455 R482 M483 | M451-P453 WeakPolarHBondContact O-CD 3.47Å; M451-P453 VanDerWaalsContact O-N 3.16Å; P453-Y455 HydrophobicContact CB-CD2 4.33Å; P453-Y455 HydrophobicContact CB-CE2 3.75Å; P453-Y455 HydrophobicContact CG-CD2 4.35Å; P453-Y455 HydrophobicContact CG-CE2 3.47Å; P453-Y455 VanDerWaalsContact CG-CE2 3.47Å; P453-R482 HydrophobicContact CB-CG 3.79Å; P453-M483 WeakPolarHBondContact CA-O 3.36Å | ||
| 454 | I | 41.5 | Very low | 42.9 | Very low | 56 Ų | 56 | 100.2 Ų | 100.2 | 29% | 0.287 | 55% | 0.547 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 130.5 | 159.2 | -67.3 | -178.1 | 0 | 0 | 0 | 107.3 | T452 V456 R482 M483 P490 P492 | T452-I454 PolarHBondContact O-N 2.84Å; I454-V456 HydrophobicContact CG2-CG2 3.84Å; I454-R482 CarbonylContact O-C 3.59Å; I454-M483 HydrophobicContact CB-CB 4.23Å; I454-M483 PolarHBondContact N-O 2.87Å; I454-M483 WeakPolarHBondContact O-CB 3.43Å; I454-M483 PolarHBondContact O-N 3.1Å; I454-P490 HydrophobicContact CD1-CB 4.08Å; I454-P490 HydrophobicContact CD1-CG 3.79Å; I454-P490 WeakPolarHBondContact CD1-O 3.31Å; I454-P490 HydrophobicContact CG1-CG 4.09Å; I454-P492 HydrophobicContact CG2-CB 4.42Å |
| 455 | Y | 53.1 | Low | 44.3 | Very low | 143 Ų | 143 | 93.4 Ų | 93.4 | 56% | 0.561 | 53% | 0.525 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 108.6 | 171.9 | -66.7 | -82.1 | 0 | 0 | 0 | 108.8 | P453 T480 V481 R482 | P453-Y455 HydrophobicContact CB-CD2 4.33Å; P453-Y455 HydrophobicContact CB-CE2 3.75Å; P453-Y455 HydrophobicContact CG-CD2 4.35Å; P453-Y455 HydrophobicContact CG-CE2 3.47Å; P453-Y455 VanDerWaalsContact CG-CE2 3.47Å; Y455-T480 HydrophobicContact CD1-CG2 4.02Å; Y455-T480 HydrophobicContact CG-CG2 4.43Å; Y455-V481 WeakPolarHBondContact CA-O 3.5Å; Y455-R482 HydrophobicContact CD1-CB 4.09Å; Y455-R482 HydrophobicContact CE1-CB 3.83Å; Y455-R482 HydrophobicContact CE1-CG 4.01Å |
| 456 | V | 49.6 | Very low | 45.4 | Very low | 29 Ų | 29 | 86.1 Ų | 86.1 | 18% | 0.176 | 49% | 0.491 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 108.8 | 176.5 | -164.7 | 0 | 0 | 0 | 0 | 109.1 | I454 V458 L464 V481 M483 P492 S494 | I454-V456 HydrophobicContact CG2-CG2 3.84Å; V456-V458 PolarHBondContact O-N 2.87Å; V456-L464 HydrophobicContact CG1-CD2 4.22Å; V456-V481 PolarHBondContact N-O 2.83Å; V456-V481 PolarHBondContact O-N 2.86Å; V456-M483 HydrophobicContact CG2-SD 3.54Å; V456-M483 VanDerWaalsContact CG2-SD 3.54Å; V456-P492 HydrophobicContact CG2-CB 3.49Å; V456-P492 VanDerWaalsContact CG2-CB 3.49Å; V456-S494 VanDerWaalsContact CB-OG 3.3Å; V456-S494 WeakPolarHBondContact CB-OG 3.16Å; V456-S494 WeakPolarHBondContact CG1-OG 3.31Å |
| 457 | H | 53.3 | Low | 46.7 | Very low | 113 Ų | 113 | 89 Ų | 89 | 52% | 0.523 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | 100.7 | 177.4 | -156.7 | -78.6 | 0 | 0 | 0 | 109.9 | N459 T480 | H457-N459 PolarHBondContact ND1-OD1 3.34Å; H457-T480 PolarHBondContact CD2-OG1 2.55Å; H457-T480 PolarHBondContact NE2-OG1 2.78Å |
| 458 | V | 59 | Low | 47.9 | Very low | 6 Ų | 6 | 85.5 Ų | 85.5 | 4% | 0.036 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 123.6 | 171.5 | -167.5 | 0 | 0 | 0 | 0 | 107.6 | V456 Q462 P476 G477 P478 A479 S494 | V456-V458 PolarHBondContact O-N 2.87Å; V458-Q462 HydrophobicContact CG1-CB 3.57Å; V458-Q462 WeakPolarHBondContact CG1-O 3.16Å; V458-P476 WeakPolarHBondContact CB-O 3.47Å; V458-P476 WeakPolarHBondContact CG1-O 3.14Å; V458-G477 WeakPolarHBondContact O-CA 3.48Å; V458-P478 VanDerWaalsContact O-CA 3.28Å; V458-P478 WeakPolarHBondContact O-CA 3.49Å; V458-A479 PolarHBondContact N-O 3.01Å; V458-A479 PolarHBondContact O-N 3.48Å; V458-S494 WeakPolarHBondContact CG2-OG 3.26Å |
| 459 | N | 52.2 | Low | 49.6 | Very low | 78 Ų | 78 | 81 Ų | 81 | 42% | 0.417 | 46% | 0.462 | S | S | . | . | P | Polyproline II helix | trans | -80.6 | 164.3 | -178.8 | -59.3 | -64.1 | 0 | 0 | 0 | 112 | H457 G461 Q462 G477 | H457-N459 PolarHBondContact ND1-OD1 3.34Å; N459-G461 PolarHBondContact O-N 2.99Å; N459-Q462 HydrophobicContact CB-CG 4.29Å; N459-Q462 VanDerWaalsContact N-OE1 3.1Å; N459-Q462 PolarHBondContact ND2-OE1 3.11Å; N459-Q462 WeakPolarHBondContact O-CB 3.16Å; N459-Q462 PolarHBondContact O-N 2.81Å; N459-G477 WeakPolarHBondContact O-CA 3.35Å |
| 460 | L | 55.8 | Low | 50.8 | Low | 149 Ų | 149 | 83.2 Ų | 83.2 | 78% | 0.78 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 121.8 | 173.4 | 179.3 | 68.4 | 0 | 0 | 0 | 110.1 | P478 | L460-P478 HydrophobicContact CD1-CG 4.44Š|
| 461 | G | 59.9 | Low | 51.6 | Low | 72 Ų | 72 | 83.6 Ų | 83.6 | 74% | 0.742 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.2 | -0.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | N459 | N459-G461 PolarHBondContact O-N 2.99Š|
| 462 | Q | 52.7 | Low | 52.3 | Low | 102 Ų | 102 | 85.1 Ų | 85.1 | 48% | 0.477 | 47% | 0.471 | S | S | . | . | trans | -92.1 | 163.4 | 166.7 | -68.5 | -177.8 | -32.1 | 0 | 0 | 111.2 | V458 N459 G477 | V458-Q462 HydrophobicContact CG1-CB 3.57Å; V458-Q462 WeakPolarHBondContact CG1-O 3.16Å; N459-Q462 HydrophobicContact CB-CG 4.29Å; N459-Q462 VanDerWaalsContact N-OE1 3.1Å; N459-Q462 PolarHBondContact ND2-OE1 3.11Å; N459-Q462 WeakPolarHBondContact O-CB 3.16Å; N459-Q462 PolarHBondContact O-N 2.81Å; Q462-G477 PolarHBondContact O-N 2.76Å | ||
| 463 | T | 54.9 | Low | 52.9 | Low | 75 Ų | 75 | 85.3 Ų | 85.3 | 46% | 0.46 | 47% | 0.465 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 121.1 | 178 | -70 | 0 | 0 | 0 | 0 | 108.1 | I475 N496 | T463-I475 CarbonylContact C-O 3.53Å; T463-I475 WeakPolarHBondContact CA-O 3.46Å; T463-I475 WeakPolarHBondContact CG2-O 3.38Å; T463-N496 PolarHBondContact OG1-OD1 2.76Å |
| 464 | L | 55.1 | Low | 53.9 | Low | 64 Ų | 64 | 89.1 Ų | 89.1 | 34% | 0.335 | 48% | 0.478 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 164 | 164 | -164 | 51 | 0 | 0 | 0 | 109.2 | V456 L466 I475 S494 | V456-L464 HydrophobicContact CG1-CD2 4.22Å; L464-L466 HydrophobicContact CB-CD2 4.3Å; L464-L466 HydrophobicContact CD2-CD2 4.49Å; L464-L466 HydrophobicContact CG-CD2 4.06Å; L464-I475 HydrophobicContact CB-CG2 4.08Å; L464-I475 PolarHBondContact N-O 2.99Å; L464-I475 CarbonylContact O-C 3.56Å; L464-I475 VanDerWaalsContact O-CA 3.29Å; L464-I475 WeakPolarHBondContact O-CA 3.5Å; L464-I475 WeakPolarHBondContact O-CB 3.38Å; L464-I475 WeakPolarHBondContact O-CG2 3.37Å; L464-I475 PolarHBondContact O-N 2.92Å; L464-I475 VanDerWaalsContact O-O 3.1Å; L464-S494 VanDerWaalsContact CD2-OG 3.22Å; L464-S494 WeakPolarHBondContact CD2-OG 3.49Å |
| 465 | S | 55.5 | Low | 54.6 | Low | 59 Ų | 59 | 86.6 Ų | 86.6 | 41% | 0.413 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 122.6 | -177.8 | -60.6 | 0 | 0 | 0 | 0 | 109.2 | H474 | S465-H474 PolarHBondContact OG-CE1 3.07Å; S465-H474 PolarHBondContact OG-ND1 2.76Å |
| 466 | L | 52 | Low | 54.9 | Low | 8 Ų | 8 | 80.6 Ų | 80.6 | 4% | 0.042 | 44% | 0.444 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 127.8 | -163.6 | -49.4 | -152.5 | 0 | 0 | 0 | 110.5 | L464 I472 Q473 I475 L493 S494 | L464-L466 HydrophobicContact CB-CD2 4.3Å; L464-L466 HydrophobicContact CD2-CD2 4.49Å; L464-L466 HydrophobicContact CG-CD2 4.06Å; L466-I472 CarbonylContact O-C 3.45Å; L466-I472 WeakPolarHBondContact O-CA 3.45Å; L466-Q473 HydrophobicContact CB-CB 4.18Å; L466-Q473 PolarHBondContact N-O 3.22Å; L466-Q473 PolarHBondContact O-N 3.25Å; L466-I475 HydrophobicContact CD1-CD1 3.53Å; L466-I475 HydrophobicContact CD2-CB 4.13Å; L466-I475 HydrophobicContact CD2-CD1 4.49Å; L466-I475 HydrophobicContact CD2-CG2 3.57Å; L466-I475 HydrophobicContact CG-CB 4.12Å; L466-I475 HydrophobicContact CG-CD1 3.65Å; L466-I475 HydrophobicContact CG-CG1 4.34Å; L466-I475 HydrophobicContact CG-CG2 4.01Å; L466-L493 HydrophobicContact CB-CD1 4.33Å; L466-L493 HydrophobicContact CB-CD2 3.88Å; L466-L493 HydrophobicContact CB-CG 3.63Å; L466-L493 HydrophobicContact CD1-CB 3.91Å; L466-L493 HydrophobicContact CD1-CD2 3.71Å; L466-L493 HydrophobicContact CD1-CG 3.56Å; L466-L493 HydrophobicContact CD2-CB 4.09Å; L466-L493 HydrophobicContact CD2-CG 3.77Å; L466-L493 HydrophobicContact CG-CB 4.39Å; L466-L493 HydrophobicContact CG-CD2 4.28Å; L466-L493 HydrophobicContact CG-CG 3.78Å; L466-S494 VanDerWaalsContact CD1-O 3.24Å; L466-S494 WeakPolarHBondContact CD1-O 3.42Å; L466-S494 VanDerWaalsContact CD2-N 3.34Å |
| 467 | R | 53.9 | Low | 54.8 | Low | 167 Ų | 167 | 79.6 Ų | 79.6 | 63% | 0.63 | 44% | 0.44 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 116 | 168.2 | -171.2 | 170.6 | -177.2 | 171.2 | 2.9 | 110.1 | G469 D470 | R467-G469 WeakPolarHBondContact CG-O 3.31Å; R467-G469 PolarHBondContact NE-O 2.92Å; R467-D470 IonicContact NH2-OD1 2.68Å; R467-D470 PolarHBondContact NH2-OD1 2.92Å |
| 468 | V | 53.1 | Low | 54.9 | Low | 85 Ų | 85 | 78.7 Ų | 78.7 | 52% | 0.515 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 95.3 | 173.2 | -176.7 | 0 | 0 | 0 | 0 | 107.4 | D470 N471 L493 | V468-D470 PolarHBondContact O-N 2.91Å; V468-N471 PolarHBondContact N-O 2.83Å; V468-N471 PolarHBondContact O-N 2.85Å; V468-N471 VanDerWaalsContact O-N 3.16Å; V468-L493 HydrophobicContact CG2-CD2 4.1Å |
| 469 | G | 64 | Low | 54.5 | Low | 56 Ų | 56 | 79 Ų | 79 | 58% | 0.577 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.2 | -121.8 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111 | R467 | R467-G469 WeakPolarHBondContact CG-O 3.31Å; R467-G469 PolarHBondContact NE-O 2.92Å |
| 470 | D | 54.3 | Low | 54.3 | Low | 143 Ų | 143 | 79.1 Ų | 79.1 | 77% | 0.765 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.7 | -3.8 | 177.3 | -63.5 | -45 | 0 | 0 | 0 | 114.1 | R467 V468 | R467-D470 IonicContact NH2-OD1 2.68Å; R467-D470 PolarHBondContact NH2-OD1 2.92Å; V468-D470 PolarHBondContact O-N 2.91Å |
| 471 | N | 44.5 | Very low | 54 | Low | 127 Ų | 127 | 73.3 Ų | 73.3 | 68% | 0.679 | 42% | 0.422 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 133.9 | 176.1 | -70.7 | -62.7 | 0 | 0 | 0 | 111.3 | V468 | V468-N471 PolarHBondContact N-O 2.83Å; V468-N471 PolarHBondContact O-N 2.85Å; V468-N471 VanDerWaalsContact O-N 3.16Å |
| 472 | I | 50.3 | Low | 53.5 | Low | 108 Ų | 108 | 77.2 Ų | 77.2 | 55% | 0.554 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 114.2 | 168.4 | -58 | 177.2 | 0 | 0 | 0 | 108.9 | L466 | L466-I472 CarbonylContact O-C 3.45Å; L466-I472 WeakPolarHBondContact O-CA 3.45Å |
| 473 | Q | 54.2 | Low | 53.2 | Low | 105 Ų | 105 | 73.2 Ų | 73.2 | 49% | 0.491 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 105.8 | 176.4 | -151.7 | 172.6 | 25 | 0 | 0 | 108.4 | L466 I475 | L466-Q473 HydrophobicContact CB-CB 4.18Å; L466-Q473 PolarHBondContact N-O 3.22Å; L466-Q473 PolarHBondContact O-N 3.25Å; Q473-I475 HydrophobicContact CB-CD1 3.93Å; Q473-I475 HydrophobicContact CG-CD1 3.68Å; Q473-I475 HydrophobicContact CG-CG1 4.27Å |
| 474 | H | 63.1 | Low | 52.7 | Low | 126 Ų | 126 | 73.3 Ų | 73.3 | 58% | 0.583 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 129 | -179.7 | -81.4 | -65.7 | 0 | 0 | 0 | 111.5 | S465 P476 | S465-H474 PolarHBondContact OG-CE1 3.07Å; S465-H474 PolarHBondContact OG-ND1 2.76Å; H474-P476 WeakPolarHBondContact O-CD 3.47Å |
| 475 | I | 55.4 | Low | 51.9 | Low | 4 Ų | 4 | 72 Ų | 72 | 2% | 0.021 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.2 | 105.5 | -145.2 | -104.3 | 178.7 | 0 | 0 | 0 | 114.3 | T463 L464 L466 Q473 S494 M495 N496 | T463-I475 CarbonylContact C-O 3.53Å; T463-I475 WeakPolarHBondContact CA-O 3.46Å; T463-I475 WeakPolarHBondContact CG2-O 3.38Å; L464-I475 HydrophobicContact CB-CG2 4.08Å; L464-I475 PolarHBondContact N-O 2.99Å; L464-I475 CarbonylContact O-C 3.56Å; L464-I475 VanDerWaalsContact O-CA 3.29Å; L464-I475 WeakPolarHBondContact O-CA 3.5Å; L464-I475 WeakPolarHBondContact O-CB 3.38Å; L464-I475 WeakPolarHBondContact O-CG2 3.37Å; L464-I475 PolarHBondContact O-N 2.92Å; L464-I475 VanDerWaalsContact O-O 3.1Å; L466-I475 HydrophobicContact CD1-CD1 3.53Å; L466-I475 HydrophobicContact CD2-CB 4.13Å; L466-I475 HydrophobicContact CD2-CD1 4.49Å; L466-I475 HydrophobicContact CD2-CG2 3.57Å; L466-I475 HydrophobicContact CG-CB 4.12Å; L466-I475 HydrophobicContact CG-CD1 3.65Å; L466-I475 HydrophobicContact CG-CG1 4.34Å; L466-I475 HydrophobicContact CG-CG2 4.01Å; Q473-I475 HydrophobicContact CB-CD1 3.93Å; Q473-I475 HydrophobicContact CG-CD1 3.68Å; Q473-I475 HydrophobicContact CG-CG1 4.27Å; I475-S494 WeakPolarHBondContact CD1-O 3.44Å; I475-S494 VanDerWaalsContact CG2-O 3.26Å; I475-S494 WeakPolarHBondContact CG2-O 3.11Å; I475-M495 HydrophobicContact CD1-CB 4.01Å; I475-M495 HydrophobicContact CD1-CE 4.32Å; I475-M495 HydrophobicContact CD1-CG 3.71Å; I475-M495 HydrophobicContact CG1-CB 4.25Å; I475-M495 HydrophobicContact CG1-CG 3.95Å; I475-N496 VanDerWaalsContact C-CA 3.42Å |
| 476 | P | 60.7 | Low | 51.4 | Low | 16 Ų | 16 | 77.9 Ų | 77.9 | 10% | 0.104 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -46.6 | 164.5 | 175.5 | -3 | 3.5 | 0 | 0 | 0 | 125 | V458 H474 M495 N496 V497 | V458-P476 WeakPolarHBondContact CB-O 3.47Å; V458-P476 WeakPolarHBondContact CG1-O 3.14Å; H474-P476 WeakPolarHBondContact O-CD 3.47Å; P476-M495 CarbonylContact O-C 3.56Å; P476-M495 VanDerWaalsContact O-O 3.05Å; P476-N496 WeakPolarHBondContact CA-OD1 3.43Å; P476-N496 HydrophobicContact CB-CB 2.31Å; P476-N496 WeakPolarHBondContact CB-ND2 3.29Å; P476-N496 WeakPolarHBondContact CB-OD1 3.21Å; P476-N496 WeakPolarHBondContact CD-O 3.46Å; P476-N496 HydrophobicContact CG-CB 2.28Å; P476-N496 WeakPolarHBondContact CG-ND2 3.22Å; P476-N496 WeakPolarHBondContact CG-O 3.2Å; P476-N496 VanDerWaalsContact O-CA 3.23Å; P476-N496 WeakPolarHBondContact O-CA 3.45Å; P476-N496 PolarHBondContact O-N 3.21Å; P476-V497 WeakPolarHBondContact CB-O 3.44Å |
| 477 | G | 47.8 | Very low | 50.7 | Low | 9 Ų | 9 | 82.8 Ų | 82.8 | 9% | 0.093 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -135.2 | 162.8 | 152.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | V458 N459 Q462 | V458-G477 WeakPolarHBondContact O-CA 3.48Å; N459-G477 WeakPolarHBondContact O-CA 3.35Å; Q462-G477 PolarHBondContact O-N 2.76Å |
| 478 | P | 55.4 | Low | 49.9 | Very low | 93 Ų | 93 | 82 Ų | 82 | 60% | 0.604 | 44% | 0.444 | S | S | * | . | S | Bend | cis | -76.9 | 121.5 | 10.3 | 31.3 | -33.7 | 0 | 0 | 0 | 111.5 | V458 L460 | V458-P478 VanDerWaalsContact O-CA 3.28Å; V458-P478 WeakPolarHBondContact O-CA 3.49Å; L460-P478 HydrophobicContact CD1-CG 4.44Å |
| 479 | A | 49.2 | Very low | 49.1 | Very low | 14 Ų | 14 | 83.2 Ų | 83.2 | 12% | 0.116 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 128.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | V458 M495 | V458-A479 PolarHBondContact N-O 3.01Å; V458-A479 PolarHBondContact O-N 3.48Å; A479-M495 WeakPolarHBondContact CB-O 3.46Å |
| 480 | T | 48.8 | Very low | 47.6 | Very low | 79 Ų | 79 | 81.7 Ų | 81.7 | 49% | 0.485 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 112.2 | 169.5 | -51.7 | 0 | 0 | 0 | 0 | 108.2 | Y455 H457 | Y455-T480 HydrophobicContact CD1-CG2 4.02Å; Y455-T480 HydrophobicContact CG-CG2 4.43Å; H457-T480 PolarHBondContact CD2-OG1 2.55Å; H457-T480 PolarHBondContact NE2-OG1 2.78Å |
| 481 | V | 50.2 | Low | 46.6 | Very low | 28 Ų | 28 | 79.8 Ų | 79.8 | 17% | 0.17 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 115.1 | -179.8 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | Y455 V456 M483 S494 M495 | Y455-V481 WeakPolarHBondContact CA-O 3.5Å; V456-V481 PolarHBondContact N-O 2.83Å; V456-V481 PolarHBondContact O-N 2.86Å; V481-M483 HydrophobicContact CG1-CG 4.1Å; V481-S494 VanDerWaalsContact CG2-C 3.5Å; V481-M495 HydrophobicContact CG2-CB 3.67Å |
| 482 | R | 49.2 | Very low | 45.9 | Very low | 154 Ų | 154 | 77.1 Ų | 77.1 | 58% | 0.581 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 137.1 | 167.8 | -178.5 | -176 | 178.8 | -162.6 | 0.5 | 108.9 | P453 I454 Y455 | P453-R482 HydrophobicContact CB-CG 3.79Å; I454-R482 CarbonylContact O-C 3.59Å; Y455-R482 HydrophobicContact CD1-CB 4.09Å; Y455-R482 HydrophobicContact CE1-CB 3.83Å; Y455-R482 HydrophobicContact CE1-CG 4.01Å |
| 483 | M | 45 | Very low | 45.1 | Very low | 18 Ų | 18 | 74.4 Ų | 74.4 | 9% | 0.089 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 144.1 | -177.5 | -67.3 | -171.3 | 63.5 | 0 | 0 | 113.5 | P453 I454 V456 V481 M491 P492 L493 | P453-M483 WeakPolarHBondContact CA-O 3.36Å; I454-M483 HydrophobicContact CB-CB 4.23Å; I454-M483 PolarHBondContact N-O 2.87Å; I454-M483 WeakPolarHBondContact O-CB 3.43Å; I454-M483 PolarHBondContact O-N 3.1Å; V456-M483 HydrophobicContact CG2-SD 3.54Å; V456-M483 VanDerWaalsContact CG2-SD 3.54Å; V481-M483 HydrophobicContact CG1-CG 4.1Å; M483-M491 WeakPolarHBondContact CE-O 3.37Å; M483-P492 VanDerWaalsContact SD-CA 3.51Å; M483-P492 HydrophobicContact SD-CB 4.23Å; M483-L493 HydrophobicContact CE-CB 3.32Å; M483-L493 HydrophobicContact SD-CB 4.06Å; M483-L493 PolarHBondContact SD-N 3.41Å |
| 484 | V | 44.5 | Very low | 44 | Very low | 77 Ų | 77 | 69.5 Ų | 69.5 | 47% | 0.467 | 37% | 0.374 | S | S | . | . | trans | -135.3 | 123.1 | 177.3 | -177 | 0 | 0 | 0 | 0 | 106 | M451 | M451-V484 HydrophobicContact CB-CG1 3.98Å; M451-V484 HydrophobicContact CE-CG1 3.98Å; M451-V484 HydrophobicContact CG-CG1 3.78Å; M451-V484 HydrophobicContact SD-CG1 3.5Å; M451-V484 VanDerWaalsContact SD-CG1 3.5Å | ||
| 485 | S | 39 | Very low | 42.7 | Very low | 37 Ų | 37 | 66.7 Ų | 66.7 | 26% | 0.259 | 36% | 0.362 | S | S | . | . | trans | -128.4 | 130.1 | 170.9 | 148.5 | 0 | 0 | 0 | 0 | 107.7 | Q487 | S485-Q487 PolarHBondContact O-N 3.11Å; S485-Q487 PolarHBondContact OG-N 3.33Å; S485-Q487 PolarHBondContact OG-O 2.92Å | ||
| 486 | E | 43.9 | Very low | 42.1 | Very low | 181 Ų | 181 | 69.9 Ų | 69.9 | 85% | 0.846 | 38% | 0.379 | S | S | * | . | S | Bend | trans | -70.4 | -17.7 | 176.8 | -56.9 | 177.7 | 153 | 0 | 0 | 111.7 | M451 | M451-E486 HydrophobicContact CE-CG 4.36Š|
| 487 | Q | 38.3 | Very low | 41.2 | Very low | 111 Ų | 111 | 71 Ų | 71 | 52% | 0.519 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -82.9 | 131.2 | 168.6 | -59.8 | 180 | 13.3 | 0 | 0 | 109.3 | S485 P489 P490 | S485-Q487 PolarHBondContact O-N 3.11Å; S485-Q487 PolarHBondContact OG-N 3.33Å; S485-Q487 PolarHBondContact OG-O 2.92Å; Q487-P489 CarbonylContact O-C 3.52Å; Q487-P489 VanDerWaalsContact O-C 3.27Å; Q487-P490 WeakPolarHBondContact O-CA 3.39Å |
| 488 | N | 37.9 | Very low | 40.7 | Very low | 152 Ų | 152 | 73.2 Ų | 73.2 | 81% | 0.813 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -113.9 | 120.6 | -174.2 | -162 | 0.6 | 0 | 0 | 0 | 109.1 | ||
| 489 | P | 35.8 | Very low | 40 | Very low | 110 Ų | 110 | 74.6 Ų | 74.6 | 71% | 0.714 | 41% | 0.407 | S | S | * | . | S | Bend | cis | -76.1 | 146.2 | 4.1 | 32.1 | -35.8 | 0 | 0 | 0 | 113.7 | Q487 | Q487-P489 CarbonylContact O-C 3.52Å; Q487-P489 VanDerWaalsContact O-C 3.27Å |
| 490 | P | 32.3 | Very low | 40 | Very low | 23 Ų | 23 | 75.9 Ų | 75.9 | 15% | 0.149 | 42% | 0.422 | C | S | . | . | trans | -64.6 | 143.6 | 177.4 | 23.6 | -31.7 | 0 | 0 | 0 | 112.8 | I454 Q487 | I454-P490 HydrophobicContact CD1-CB 4.08Å; I454-P490 HydrophobicContact CD1-CG 3.79Å; I454-P490 WeakPolarHBondContact CD1-O 3.31Å; I454-P490 HydrophobicContact CG1-CG 4.09Å; Q487-P490 WeakPolarHBondContact O-CA 3.39Å | ||
| 491 | M | 32.2 | Very low | 40.1 | Very low | 103 Ų | 103 | 75.5 Ų | 75.5 | 51% | 0.507 | 42% | 0.415 | S | S | . | . | trans | -111.4 | 127.4 | -170.9 | -170.8 | -173.6 | -55.3 | 0 | 0 | 112.3 | V423 M483 | V423-M491 HydrophobicContact CG1-SD 4.06Å; M483-M491 WeakPolarHBondContact CE-O 3.37Å | ||
| 492 | P | 31.6 | Very low | 39.9 | Very low | 71 Ų | 71 | 77.7 Ų | 77.7 | 46% | 0.461 | 43% | 0.425 | S | S | . | . | trans | -71.9 | 144.7 | -168.3 | 23.3 | -32.5 | 0 | 0 | 0 | 118.4 | I454 V456 M483 | I454-P492 HydrophobicContact CG2-CB 4.42Å; V456-P492 HydrophobicContact CG2-CB 3.49Å; V456-P492 VanDerWaalsContact CG2-CB 3.49Å; M483-P492 VanDerWaalsContact SD-CA 3.51Å; M483-P492 HydrophobicContact SD-CB 4.23Å | ||
| 493 | L | 31.7 | Very low | 39.7 | Very low | 52 Ų | 52 | 73.2 Ų | 73.2 | 27% | 0.272 | 41% | 0.414 | S | S | . | . | trans | -171.1 | 93.8 | -161.2 | -129.4 | 85.7 | 0 | 0 | 0 | 110 | L466 V468 M483 | L466-L493 HydrophobicContact CB-CD1 4.33Å; L466-L493 HydrophobicContact CB-CD2 3.88Å; L466-L493 HydrophobicContact CB-CG 3.63Å; L466-L493 HydrophobicContact CD1-CB 3.91Å; L466-L493 HydrophobicContact CD1-CD2 3.71Å; L466-L493 HydrophobicContact CD1-CG 3.56Å; L466-L493 HydrophobicContact CD2-CB 4.09Å; L466-L493 HydrophobicContact CD2-CG 3.77Å; L466-L493 HydrophobicContact CG-CB 4.39Å; L466-L493 HydrophobicContact CG-CD2 4.28Å; L466-L493 HydrophobicContact CG-CG 3.78Å; V468-L493 HydrophobicContact CG2-CD2 4.1Å; M483-L493 HydrophobicContact CE-CB 3.32Å; M483-L493 HydrophobicContact SD-CB 4.06Å; M483-L493 PolarHBondContact SD-N 3.41Å | ||
| 494 | S | 32.6 | Very low | 39.9 | Very low | 1 Ų | 1 | 76.9 Ų | 76.9 | 1% | 0.007 | 43% | 0.431 | C | S | . | . | trans | -85.8 | -154.4 | -170.5 | -37.2 | 0 | 0 | 0 | 0 | 119.2 | V456 V458 L464 L466 I475 V481 | V456-S494 VanDerWaalsContact CB-OG 3.3Å; V456-S494 WeakPolarHBondContact CB-OG 3.16Å; V456-S494 WeakPolarHBondContact CG1-OG 3.31Å; V458-S494 WeakPolarHBondContact CG2-OG 3.26Å; L464-S494 VanDerWaalsContact CD2-OG 3.22Å; L464-S494 WeakPolarHBondContact CD2-OG 3.49Å; L466-S494 VanDerWaalsContact CD1-O 3.24Å; L466-S494 WeakPolarHBondContact CD1-O 3.42Å; L466-S494 VanDerWaalsContact CD2-N 3.34Å; I475-S494 WeakPolarHBondContact CD1-O 3.44Å; I475-S494 VanDerWaalsContact CG2-O 3.26Å; I475-S494 WeakPolarHBondContact CG2-O 3.11Å; V481-S494 VanDerWaalsContact CG2-C 3.5Å | ||
| 495 | M | 36.4 | Very low | 40.2 | Very low | 67 Ų | 67 | 79.5 Ų | 79.5 | 33% | 0.33 | 44% | 0.439 | S | S | . | . | trans | -158.7 | 124.2 | 169.1 | -160.7 | 172.3 | -63 | 0 | 0 | 116.2 | I475 P476 A479 V481 | I475-M495 HydrophobicContact CD1-CB 4.01Å; I475-M495 HydrophobicContact CD1-CE 4.32Å; I475-M495 HydrophobicContact CD1-CG 3.71Å; I475-M495 HydrophobicContact CG1-CB 4.25Å; I475-M495 HydrophobicContact CG1-CG 3.95Å; P476-M495 CarbonylContact O-C 3.56Å; P476-M495 VanDerWaalsContact O-O 3.05Å; A479-M495 WeakPolarHBondContact CB-O 3.46Å; V481-M495 HydrophobicContact CG2-CB 3.67Å | ||
| 496 | N | 42 | Very low | 40.9 | Very low | 71 Ų | 71 | 81.6 Ų | 81.6 | 38% | 0.38 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -73.2 | 134.9 | 177 | -153.8 | 77.2 | 0 | 0 | 0 | 93.4 | T463 I475 P476 | T463-N496 PolarHBondContact OG1-OD1 2.76Å; I475-N496 VanDerWaalsContact C-CA 3.42Å; P476-N496 WeakPolarHBondContact CA-OD1 3.43Å; P476-N496 HydrophobicContact CB-CB 2.31Å; P476-N496 WeakPolarHBondContact CB-ND2 3.29Å; P476-N496 WeakPolarHBondContact CB-OD1 3.21Å; P476-N496 WeakPolarHBondContact CD-O 3.46Å; P476-N496 HydrophobicContact CG-CB 2.28Å; P476-N496 WeakPolarHBondContact CG-ND2 3.22Å; P476-N496 WeakPolarHBondContact CG-O 3.2Å; P476-N496 VanDerWaalsContact O-CA 3.23Å; P476-N496 WeakPolarHBondContact O-CA 3.45Å; P476-N496 PolarHBondContact O-N 3.21Å |
| 497 | V | 41.5 | Very low | 40.9 | Very low | 41 Ų | 41 | 76.6 Ų | 76.6 | 25% | 0.248 | 43% | 0.428 | C | S | . | . | P | Polyproline II helix | trans | -102.9 | 133.4 | 148.1 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | P476 H501 V503 L518 | P476-V497 WeakPolarHBondContact CB-O 3.44Å; V497-H501 HydrophobicContact CG1-CB 4.26Å; V497-H501 VanDerWaalsContact CG1-O 3.31Å; V497-H501 WeakPolarHBondContact CG1-O 3.19Å; V497-V503 HydrophobicContact CB-CG2 4.23Å; V497-V503 HydrophobicContact CG1-CG2 3.77Å; V497-V503 HydrophobicContact CG2-CG2 3.35Å; V497-L518 HydrophobicContact CG1-CD2 4.09Å |
| 498 | P | 37.5 | Very low | 42.2 | Very low | 54 Ų | 54 | 73 Ų | 73 | 35% | 0.351 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -59.9 | 140.1 | 176 | -24.2 | 34.8 | 0 | 0 | 0 | 111.8 | G500 H501 L518 | P498-G500 PolarHBondContact O-N 2.86Å; P498-H501 PolarHBondContact O-N 3.02Å; P498-H501 VanDerWaalsContact O-N 3.14Å; P498-L518 HydrophobicContact CG-CD1 4.16Å |
| 499 | P | 40 | Very low | 43 | Very low | 122 Ų | 122 | 74.6 Ų | 74.6 | 79% | 0.792 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.5 | 136.3 | 177.2 | -28.3 | 35.6 | 0 | 0 | 0 | 112.5 | ||
| 500 | G | 50.3 | Low | 43.8 | Very low | 42 Ų | 42 | 75.7 Ų | 75.7 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 24.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | P498 P520 Q521 | P498-G500 PolarHBondContact O-N 2.86Å; G500-P520 CarbonylContact O-C 3.52Å; G500-P520 WeakPolarHBondContact O-CA 3.31Å; G500-Q521 PolarHBondContact O-N 2.63Å |
| 501 | H | 49.9 | Very low | 44.1 | Very low | 71 Ų | 71 | 77.4 Ų | 77.4 | 33% | 0.329 | 44% | 0.437 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 136.9 | 165.1 | -73.7 | 63.7 | 0 | 0 | 0 | 111.5 | V497 P498 L518 S519 | V497-H501 HydrophobicContact CG1-CB 4.26Å; V497-H501 VanDerWaalsContact CG1-O 3.31Å; V497-H501 WeakPolarHBondContact CG1-O 3.19Å; P498-H501 PolarHBondContact O-N 3.02Å; P498-H501 VanDerWaalsContact O-N 3.14Å; H501-L518 HydrophobicContact CB-CB 4.5Å; H501-S519 CarbonylContact C-O 3.44Å; H501-S519 WeakPolarHBondContact CA-O 3.45Å; H501-S519 WeakPolarHBondContact CB-O 3.25Å |
| 502 | I | 47.6 | Very low | 44.6 | Very low | 73 Ų | 73 | 74.8 Ų | 74.8 | 37% | 0.374 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 154.3 | 164.3 | 60.9 | 167.6 | 0 | 0 | 0 | 110.2 | L518 S519 Q521 | I502-L518 WeakPolarHBondContact O-CA 3.33Å; I502-S519 WeakPolarHBondContact CG1-O 3.12Å; I502-S519 PolarHBondContact N-O 2.95Å; I502-S519 PolarHBondContact O-N 2.87Å; I502-Q521 HydrophobicContact CG2-CB 4.01Å; I502-Q521 HydrophobicContact CG2-CG 3.98Å |
| 503 | V | 44.5 | Very low | 45.1 | Very low | 60 Ų | 60 | 76.1 Ų | 76.1 | 36% | 0.364 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 126.2 | 173 | -171.9 | 0 | 0 | 0 | 0 | 109.3 | V497 Q505 V516 I517 L518 | V497-V503 HydrophobicContact CB-CG2 4.23Å; V497-V503 HydrophobicContact CG1-CG2 3.77Å; V497-V503 HydrophobicContact CG2-CG2 3.35Å; V503-Q505 HydrophobicContact CG1-CG 4.38Å; V503-V516 HydrophobicContact CG1-CG1 3.47Å; V503-V516 VanDerWaalsContact CG1-CG1 3.47Å; V503-I517 WeakPolarHBondContact CA-O 3.07Å; V503-L518 HydrophobicContact CG2-CD2 3.92Å |
| 504 | Q | 49.1 | Very low | 46.1 | Very low | 95 Ų | 95 | 81.2 Ų | 81.2 | 44% | 0.444 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 138.8 | 165.7 | -54.1 | 179.5 | -31.3 | 0 | 0 | 108.9 | V516 I517 | Q504-V516 WeakPolarHBondContact O-CA 3.24Å; Q504-I517 HydrophobicContact CB-CB 4.25Å; Q504-I517 PolarHBondContact N-O 3.27Å; Q504-I517 PolarHBondContact O-N 2.91Å |
| 505 | Q | 50.2 | Low | 46.8 | Very low | 133 Ų | 133 | 86.7 Ų | 86.7 | 62% | 0.621 | 48% | 0.475 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.4 | 129.9 | 177.2 | -66.6 | -177.8 | 4.5 | 0 | 0 | 109.2 | V503 L513 | V503-Q505 HydrophobicContact CG1-CG 4.38Å; Q505-L513 HydrophobicContact CB-CD1 3.75Å; Q505-L513 HydrophobicContact CG-CD1 3.97Å |
| 506 | I | 54.3 | Low | 47.1 | Very low | 80 Ų | 80 | 86.5 Ų | 86.5 | 41% | 0.41 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 126.7 | 168.9 | -56.9 | -177.8 | 0 | 0 | 0 | 107.2 | R514 H515 I517 | I506-R514 HydrophobicContact CG2-CB 4.32Å; I506-R514 PolarHBondContact O-N 3.02Å; I506-H515 HydrophobicContact CB-CB 4.09Å; I506-H515 HydrophobicContact CD1-CB 4.22Å; I506-H515 HydrophobicContact CG1-CB 4.31Å; I506-H515 PolarHBondContact N-O 3.09Å; I506-H515 PolarHBondContact O-N 3.16Å; I506-I517 HydrophobicContact CD1-CD1 3.99Å; I506-I517 HydrophobicContact CG1-CD1 4.48Å |
| 507 | V | 44.3 | Very low | 47.5 | Very low | 77 Ų | 77 | 86.3 Ų | 86.3 | 47% | 0.467 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 143.9 | -177.6 | -160.3 | 0 | 0 | 0 | 0 | 107.8 | G511 A512 | V507-G511 VanDerWaalsContact CG1-CA 3.45Å; V507-G511 WeakPolarHBondContact CG1-O 3.46Å; V507-A512 CarbonylContact C-O 3.56Å; V507-A512 WeakPolarHBondContact CA-O 3.41Å; V507-A512 WeakPolarHBondContact CG1-O 3.47Å |
| 508 | D | 65.1 | Low | 47.7 | Very low | 35 Ų | 35 | 88.3 Ų | 88.3 | 19% | 0.187 | 48% | 0.484 | C | S | . | . | trans | -88.2 | 178 | 170.2 | 72.1 | 27.3 | 0 | 0 | 0 | 113 | N510 G511 A512 R514 | D508-N510 PolarHBondContact O-N 2.72Å; D508-N510 PolarHBondContact OD1-N 2.67Å; D508-N510 VanDerWaalsContact OD1-N 3.08Å; D508-G511 PolarHBondContact O-N 2.98Å; D508-A512 PolarHBondContact N-O 2.78Å; D508-A512 WeakPolarHBondContact OD1-CB 3.32Å; D508-A512 PolarHBondContact OD1-N 3.11Å; D508-R514 HydrophobicContact CB-CG 3.92Å; D508-R514 IonicContact OD2-CZ 2.68Å; D508-R514 VanDerWaalsContact OD2-CZ 3.24Å; D508-R514 IonicContact OD2-NE 2.88Å; D508-R514 PolarHBondContact OD2-NE 2.72Å; D508-R514 IonicContact OD2-NH2 3.92Å; D508-R514 PolarHBondContact OD2-NH2 2.91Å | ||
| 509 | E | 54.4 | Low | 48.3 | Very low | 186 Ų | 186 | 87 Ų | 87 | 87% | 0.869 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | -17.5 | -175.7 | 66.2 | -158.6 | 141.1 | 0 | 0 | 114.7 | ||
| 510 | N | 53.1 | Low | 48.7 | Very low | 133 Ų | 133 | 85.8 Ų | 85.8 | 71% | 0.711 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.3 | 4.1 | 177 | -56.8 | -68.7 | 0 | 0 | 0 | 113 | D508 A512 | D508-N510 PolarHBondContact O-N 2.72Å; D508-N510 PolarHBondContact OD1-N 2.67Å; D508-N510 VanDerWaalsContact OD1-N 3.08Å; N510-A512 VanDerWaalsContact C-N 3.3Å |
| 511 | G | 38.6 | Very low | 48.7 | Very low | 59 Ų | 59 | 89.8 Ų | 89.8 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | S | Bend | trans | 79 | 9.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | V507 D508 | V507-G511 VanDerWaalsContact CG1-CA 3.45Å; V507-G511 WeakPolarHBondContact CG1-O 3.46Å; D508-G511 PolarHBondContact O-N 2.98Å |
| 512 | A | 42.5 | Very low | 48.9 | Very low | 48 Ų | 48 | 90.2 Ų | 90.2 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | trans | -82.4 | 131 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V507 D508 N510 R514 | V507-A512 CarbonylContact C-O 3.56Å; V507-A512 WeakPolarHBondContact CA-O 3.41Å; V507-A512 WeakPolarHBondContact CG1-O 3.47Å; D508-A512 PolarHBondContact N-O 2.78Å; D508-A512 WeakPolarHBondContact OD1-CB 3.32Å; D508-A512 PolarHBondContact OD1-N 3.11Å; N510-A512 VanDerWaalsContact C-N 3.3Å; A512-R514 PolarHBondContact O-N 2.96Å | ||
| 513 | L | 41.3 | Very low | 48.9 | Very low | 99 Ų | 99 | 92.3 Ų | 92.3 | 52% | 0.518 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 111.2 | -179.6 | -176.5 | 69.1 | 0 | 0 | 0 | 110.6 | Q505 V516 | Q505-L513 HydrophobicContact CB-CD1 3.75Å; Q505-L513 HydrophobicContact CG-CD1 3.97Å; L513-V516 HydrophobicContact CD1-CG2 4.23Å; L513-V516 HydrophobicContact CD2-CG2 3.83Å; L513-V516 HydrophobicContact CG-CG2 4.27Å |
| 514 | R | 54.3 | Low | 49 | Very low | 159 Ų | 159 | 95.2 Ų | 95.2 | 60% | 0.6 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.1 | -45 | 179.3 | -74.6 | -73 | -179.5 | 135.4 | 3.8 | 113 | I506 D508 A512 | I506-R514 HydrophobicContact CG2-CB 4.32Å; I506-R514 PolarHBondContact O-N 3.02Å; D508-R514 HydrophobicContact CB-CG 3.92Å; D508-R514 IonicContact OD2-CZ 2.68Å; D508-R514 VanDerWaalsContact OD2-CZ 3.24Å; D508-R514 IonicContact OD2-NE 2.88Å; D508-R514 PolarHBondContact OD2-NE 2.72Å; D508-R514 IonicContact OD2-NH2 3.92Å; D508-R514 PolarHBondContact OD2-NH2 2.91Å; A512-R514 PolarHBondContact O-N 2.96Å |
| 515 | H | 45.4 | Very low | 48.9 | Very low | 116 Ų | 116 | 95 Ų | 95 | 54% | 0.537 | 54% | 0.544 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 153 | -177.8 | -59.3 | -70.8 | 0 | 0 | 0 | 112.1 | I506 | I506-H515 HydrophobicContact CB-CB 4.09Å; I506-H515 HydrophobicContact CD1-CB 4.22Å; I506-H515 HydrophobicContact CG1-CB 4.31Å; I506-H515 PolarHBondContact N-O 3.09Å; I506-H515 PolarHBondContact O-N 3.16Å |
| 516 | V | 43.5 | Very low | 48.9 | Very low | 62 Ų | 62 | 94.2 Ų | 94.2 | 38% | 0.376 | 55% | 0.551 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -122.4 | 125.1 | 168.6 | -176.9 | 0 | 0 | 0 | 0 | 107.2 | V503 Q504 L513 | V503-V516 HydrophobicContact CG1-CG1 3.47Å; V503-V516 VanDerWaalsContact CG1-CG1 3.47Å; Q504-V516 WeakPolarHBondContact O-CA 3.24Å; L513-V516 HydrophobicContact CD1-CG2 4.23Å; L513-V516 HydrophobicContact CD2-CG2 3.83Å; L513-V516 HydrophobicContact CG-CG2 4.27Å |
| 517 | I | 50.3 | Low | 48.5 | Very low | 67 Ų | 67 | 95.7 Ų | 95.7 | 34% | 0.344 | 57% | 0.566 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115 | 134.2 | -180 | -57.1 | 173.5 | 0 | 0 | 0 | 108.3 | V503 Q504 I506 | V503-I517 WeakPolarHBondContact CA-O 3.07Å; Q504-I517 HydrophobicContact CB-CB 4.25Å; Q504-I517 PolarHBondContact N-O 3.27Å; Q504-I517 PolarHBondContact O-N 2.91Å; I506-I517 HydrophobicContact CD1-CD1 3.99Å; I506-I517 HydrophobicContact CG1-CD1 4.48Å |
| 518 | L | 44.9 | Very low | 49 | Very low | 84 Ų | 84 | 97.6 Ų | 97.6 | 44% | 0.44 | 58% | 0.58 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99 | 123.7 | 169.1 | -59.7 | -179.2 | 0 | 0 | 0 | 108.8 | V497 P498 H501 I502 V503 | V497-L518 HydrophobicContact CG1-CD2 4.09Å; P498-L518 HydrophobicContact CG-CD1 4.16Å; H501-L518 HydrophobicContact CB-CB 4.5Å; I502-L518 WeakPolarHBondContact O-CA 3.33Å; V503-L518 HydrophobicContact CG2-CD2 3.92Å |
| 519 | S | 51.2 | Low | 48.6 | Very low | 25 Ų | 25 | 101.3 Ų | 101.3 | 18% | 0.175 | 61% | 0.606 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.4 | 142.3 | 176.8 | -40.9 | 0 | 0 | 0 | 0 | 109.6 | H501 I502 Q521 | H501-S519 CarbonylContact C-O 3.44Å; H501-S519 WeakPolarHBondContact CA-O 3.45Å; H501-S519 WeakPolarHBondContact CB-O 3.25Å; I502-S519 WeakPolarHBondContact CG1-O 3.12Å; I502-S519 PolarHBondContact N-O 2.95Å; I502-S519 PolarHBondContact O-N 2.87Å; S519-Q521 PolarHBondContact O-N 2.86Å |
| 520 | P | 49 | Very low | 48.2 | Very low | 98 Ų | 98 | 98.5 Ų | 98.5 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -58.6 | 135.4 | 176.4 | -25.4 | 34.9 | 0 | 0 | 0 | 112.1 | G500 A522 | G500-P520 CarbonylContact O-C 3.52Å; G500-P520 WeakPolarHBondContact O-CA 3.31Å; P520-A522 PolarHBondContact O-N 2.81Å |
| 521 | Q | 50.3 | Low | 47.7 | Very low | 125 Ų | 125 | 101 Ų | 101 | 58% | 0.584 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -75.8 | 122.3 | 171.5 | -169.5 | 173.5 | 13.4 | 0 | 0 | 108.5 | G500 I502 S519 | G500-Q521 PolarHBondContact O-N 2.63Å; I502-Q521 HydrophobicContact CG2-CB 4.01Å; I502-Q521 HydrophobicContact CG2-CG 3.98Å; S519-Q521 PolarHBondContact O-N 2.86Å |
| 522 | A | 52.8 | Low | 47.6 | Very low | 81 Ų | 81 | 102.7 Ų | 102.7 | 67% | 0.669 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 141.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P520 | P520-A522 PolarHBondContact O-N 2.81Š|
| 523 | P | 48.1 | Very low | 47.2 | Very low | 116 Ų | 116 | 109.5 Ų | 109.5 | 75% | 0.753 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 142.3 | 176.7 | 26.3 | -34.2 | 0 | 0 | 0 | 110 | A525 | P523-A525 PolarHBondContact O-N 2.93Š|
| 524 | P | 46.8 | Very low | 47.1 | Very low | 122 Ų | 122 | 111.4 Ų | 111.4 | 79% | 0.792 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 138.7 | 175.9 | 25.9 | -33.9 | 0 | 0 | 0 | 109.9 | ||
| 525 | A | 47.1 | Very low | 46.3 | Very low | 89 Ų | 89 | 107.3 Ų | 107.3 | 74% | 0.736 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 138.2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | P523 | P523-A525 PolarHBondContact O-N 2.93Š|
| 526 | P | 50.3 | Low | 46.1 | Very low | 117 Ų | 117 | 107.3 Ų | 107.3 | 76% | 0.76 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 138.7 | 179.4 | 25.4 | -33.8 | 0 | 0 | 0 | 110 | ||
| 527 | P | 46.1 | Very low | 45.8 | Very low | 112 Ų | 112 | 115.5 Ų | 115.5 | 73% | 0.727 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 146.7 | 179.4 | 26.1 | -34.3 | 0 | 0 | 0 | 110.5 | ||
| 528 | P | 53.5 | Low | 45.2 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 76% | 0.76 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 140 | 175.6 | 26 | -33.9 | 0 | 0 | 0 | 110.2 | ||
| 529 | P | 56.9 | Low | 44.6 | Very low | 113 Ų | 113 | 118 Ų | 118 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 139.1 | -174.8 | 25.9 | -34.3 | 0 | 0 | 0 | 111.3 | M531 | P529-M531 PolarHBondContact O-N 2.8Š|
| 530 | P | 45.8 | Very low | 44 | Very low | 127 Ų | 127 | 122.7 Ų | 122.7 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 127.2 | -178.9 | 26.7 | -34.1 | 0 | 0 | 0 | 110.9 | A532 | P530-A532 PolarHBondContact O-N 3.3Å; P530-A532 VanDerWaalsContact O-N 3.15Å |
| 531 | M | 42 | Very low | 43.2 | Very low | 185 Ų | 185 | 121.6 Ų | 121.6 | 91% | 0.911 | 77% | 0.772 | S | S | * | * | trans | -69.2 | 109.2 | 175.3 | -75.2 | -179.8 | 60.3 | 0 | 0 | 110.6 | P529 Q533 | P529-M531 PolarHBondContact O-N 2.8Å; M531-Q533 PolarHBondContact O-N 3.4Å | ||
| 532 | A | 38 | Very low | 42.5 | Very low | 95 Ų | 95 | 127.9 Ų | 127.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | -65.4 | 123.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | P530 | P530-A532 PolarHBondContact O-N 3.3Å; P530-A532 VanDerWaalsContact O-N 3.15Å | ||
| 533 | Q | 34.5 | Very low | 41.9 | Very low | 191 Ų | 191 | 128.3 Ų | 128.3 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -71.5 | 132.1 | 175.9 | -63.4 | -179.2 | 7.9 | 0 | 0 | 110.4 | M531 | M531-Q533 PolarHBondContact O-N 3.4Š| ||
| 534 | T | 37.5 | Very low | 41.6 | Very low | 139 Ų | 139 | 128.4 Ų | 128.4 | 85% | 0.853 | 79% | 0.794 | S | S | * | * | trans | -114.4 | 145.6 | 160.4 | 40.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 535 | G | 39.1 | Very low | 41.4 | Very low | 73 Ų | 73 | 128.9 Ų | 128.9 | 75% | 0.753 | 80% | 0.798 | S | S | * | * | trans | -75.4 | -178.4 | -160.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 536 | P | 41.1 | Very low | 41 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 80% | 0.801 | S | S | * | * | trans | -110.7 | 146.8 | -141.9 | 38.3 | -33.5 | 0 | 0 | 0 | 115.6 | ||||
| 537 | Y | 35.8 | Very low | 40.2 | Very low | 234 Ų | 234 | 128.2 Ų | 128.2 | 92% | 0.918 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 162 | 157.9 | -88.8 | -60.9 | 0 | 0 | 0 | 109.1 | ||||
| 538 | P | 37.4 | Very low | 39.7 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 67% | 0.669 | 80% | 0.803 | S | S | * | * | -125.3 | 161.5 | -126.3 | 40.6 | -27.3 | 0 | 0 | 0 | 116.1 | |||||
| 539 | S | 34 | Very low | 38.7 | Very low | 101 Ų | 101 | 130.9 Ų | 130.9 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 53.4 | 131.7 | 144.7 | 63.3 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 540 | S | 37.9 | Very low | 37.6 | Very low | 122 Ų | 122 | 129.1 Ų | 129.1 | 85% | 0.853 | 80% | 0.797 | S | S | * | * | trans | 80 | 116.9 | 153.7 | 78.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 541 | G | 32.1 | Very low | 37.1 | Very low | 75 Ų | 75 | 130.8 Ų | 130.8 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | 115.1 | 117.1 | 108.9 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 542 | R | 35.9 | Very low | 36.8 | Very low | 258 Ų | 258 | 125.1 Ų | 125.1 | 97% | 0.974 | 79% | 0.788 | S | S | * | * | trans | 87.5 | 154.9 | 147.9 | -143.4 | 171 | -170.5 | 174.5 | 2.2 | 117.3 | ||||
| 543 | A | 39 | Very low | 36.9 | Very low | 90 Ų | 90 | 127.3 Ų | 127.3 | 74% | 0.744 | 79% | 0.794 | S | S | * | * | trans | -123.3 | -153.9 | -162.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 544 | P | 43.6 | Very low | 36.8 | Very low | 118 Ų | 118 | 121.7 Ų | 121.7 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | -93.6 | -173.1 | -124.1 | 44.1 | -33.8 | 0 | 0 | 0 | 113.7 | |||||
| 545 | P | 41.9 | Very low | 36.7 | Very low | 132 Ų | 132 | 118.8 Ų | 118.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | -143.1 | -162.6 | 88.6 | 39.4 | -22.1 | 0 | 0 | 0 | 113.6 | |||||
| 546 | A | 37.9 | Very low | 36.5 | Very low | 97 Ų | 97 | 121.2 Ų | 121.2 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -131.9 | 179 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 547 | A | 35.3 | Very low | 35.9 | Very low | 94 Ų | 94 | 121.9 Ų | 121.9 | 78% | 0.777 | 79% | 0.79 | S | S | * | * | trans | 97.2 | 171.5 | 145.9 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 548 | V | 34.3 | Very low | 35.6 | Very low | 125 Ų | 125 | 117.8 Ų | 117.8 | 76% | 0.758 | 78% | 0.783 | S | S | * | * | trans | 85.2 | 90 | 172.6 | -170.6 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 549 | L | 31.8 | Very low | 35.1 | Very low | 161 Ų | 161 | 121.1 Ų | 121.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | 79.7 | 149.3 | 83.6 | -73.2 | 176.5 | 0 | 0 | 0 | 113.5 | |||||
| 550 | S | 35.4 | Very low | 35 | Very low | 75 Ų | 75 | 125.7 Ų | 125.7 | 52% | 0.524 | 79% | 0.793 | S | S | . | * | cis | -176 | 165.7 | -4.8 | 47.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 551 | N | 35.5 | Very low | 34.9 | Very low | 162 Ų | 162 | 127.1 Ų | 127.1 | 87% | 0.866 | 79% | 0.79 | S | S | * | * | trans | 71.6 | 147.2 | 163 | -47.8 | -36.2 | 0 | 0 | 0 | 115.8 | ||||
| 552 | G | 34.7 | Very low | 35 | Very low | 67 Ų | 67 | 128.1 Ų | 128.1 | 69% | 0.691 | 78% | 0.782 | S | S | * | * | cis | 136.2 | 169.7 | 6.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 553 | P | 39.5 | Very low | 34.8 | Very low | 140 Ų | 140 | 122.3 Ų | 122.3 | 91% | 0.909 | 78% | 0.775 | S | S | * | * | cis | -89.5 | -136 | -9.4 | 41.9 | -36.5 | 0 | 0 | 0 | 110 | ||||
| 554 | G | 33.8 | Very low | 34.3 | Very low | 74 Ų | 74 | 124.5 Ų | 124.5 | 76% | 0.763 | 77% | 0.77 | S | S | * | * | cis | 179.8 | -174.8 | 2.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 555 | G | 33.9 | Very low | 33.6 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 77% | 0.772 | S | S | * | * | trans | -129.7 | 164.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 556 | P | 35.7 | Very low | 33.1 | Very low | 124 Ų | 124 | 121.5 Ų | 121.5 | 81% | 0.805 | 76% | 0.763 | S | S | * | * | -148 | 160.3 | 108.1 | 39.9 | -25.2 | 0 | 0 | 0 | 117.1 | |||||
| 557 | T | 29.1 | Very low | 32.9 | Very low | 130 Ų | 130 | 122.1 Ų | 122.1 | 80% | 0.798 | 76% | 0.759 | S | S | * | * | trans | 33.6 | 137.5 | 137.9 | -43.2 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 558 | L | 28.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 124.9 Ų | 124.9 | 78% | 0.78 | 77% | 0.771 | S | S | * | * | trans | -31.9 | 156.2 | 160 | -65.5 | 157.5 | 0 | 0 | 0 | 118.2 | ||||
| 559 | Q | 27 | Very low | 32.5 | Very low | 173 Ų | 173 | 121.5 Ų | 121.5 | 81% | 0.808 | 76% | 0.761 | S | S | * | * | trans | 71.1 | 142.4 | 156.2 | -78.1 | 179.5 | -21.9 | 0 | 0 | 118 | ||||
| 560 | Y | 32 | Very low | 32.5 | Very low | 197 Ų | 197 | 123 Ų | 123 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | cis | -166.6 | 138.6 | -19.7 | -144.2 | -126.5 | 0 | 0 | 0 | 107.4 | ||||
| 561 | I | 35.9 | Very low | 32.3 | Very low | 152 Ų | 152 | 124 Ų | 124 | 78% | 0.779 | 78% | 0.776 | S | S | * | * | trans | 53.6 | -180 | 179.2 | 22 | -179.7 | 0 | 0 | 0 | 114.4 | ||||
| 562 | P | 35.8 | Very low | 31.9 | Very low | 95 Ų | 95 | 122.9 Ų | 122.9 | 62% | 0.617 | 77% | 0.769 | S | S | * | * | cis | -122.1 | 49 | -1.3 | 43.2 | -29.2 | 0 | 0 | 0 | 114.9 | ||||
| 563 | V | 30.6 | Very low | 31.6 | Very low | 137 Ų | 137 | 125.4 Ų | 125.4 | 83% | 0.83 | 76% | 0.763 | S | S | * | * | trans | -128.9 | 66 | -173.6 | -158.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 564 | Q | 28.8 | Very low | 31.4 | Very low | 135 Ų | 135 | 126.1 Ų | 126.1 | 63% | 0.631 | 75% | 0.754 | S | S | * | * | 54.9 | 66.9 | 85.6 | -65.7 | -164.6 | -14.1 | 0 | 0 | 114.1 | |||||
| 565 | G | 28.3 | Very low | 31.3 | Very low | 79 Ų | 79 | 128 Ų | 128 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | -137.1 | 52.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 566 | T | 32.4 | Very low | 31.1 | Very low | 108 Ų | 108 | 129 Ų | 129 | 66% | 0.663 | 75% | 0.745 | S | S | * | * | trans | -134.4 | 153.8 | -178 | 46.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 567 | P | 33.4 | Very low | 30.6 | Very low | 110 Ų | 110 | 130 Ų | 130 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -123.5 | 139.9 | -7.2 | 35.8 | -20.6 | 0 | 0 | 0 | 113 | G569 | P567-G569 PolarHBondContact O-N 3.01Š| ||
| 568 | C | 32.3 | Very low | 30.5 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 100% | 1.034 | 74% | 0.741 | S | S | * | * | trans | -79.4 | 62.3 | 171.6 | -73.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 569 | G | 28.9 | Very low | 30.4 | Very low | 53 Ų | 53 | 126.4 Ų | 126.4 | 55% | 0.546 | 74% | 0.735 | S | S | . | * | trans | -128.6 | 110.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | P567 | P567-G569 PolarHBondContact O-N 3.01Š| ||
| 570 | Q | 30.6 | Very low | 30.5 | Very low | 192 Ų | 192 | 125.6 Ų | 125.6 | 90% | 0.897 | 74% | 0.735 | S | S | * | * | trans | 74 | 128.5 | 153.4 | -59.1 | 179.8 | -28 | 0 | 0 | 121.4 | ||||
| 571 | A | 33 | Very low | 30.4 | Very low | 96 Ų | 96 | 126.4 Ų | 126.4 | 79% | 0.793 | 74% | 0.737 | S | S | * | * | trans | 73.6 | 165.9 | 145.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 572 | I | 27 | Very low | 30.2 | Very low | 139 Ų | 139 | 128 Ų | 128 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -148.2 | 150.8 | 33.1 | -72.4 | 173.2 | 0 | 0 | 0 | 113 | ||||
| 573 | H | 28.5 | Very low | 30.4 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 56% | 0.556 | 74% | 0.735 | S | S | * | * | trans | 73.9 | 146.3 | 159.6 | -81.8 | -17.8 | 0 | 0 | 0 | 120.5 | ||||
| 574 | H | 33.9 | Very low | 30.5 | Very low | 156 Ų | 156 | 126.9 Ų | 126.9 | 72% | 0.722 | 74% | 0.738 | S | S | * | * | S | Bend | cis | -130.3 | 159.5 | -2.9 | -65.9 | -78.9 | 0 | 0 | 0 | 109.3 | ||
| 575 | P | 32 | Very low | 31.4 | Very low | 114 Ų | 114 | 126.9 Ų | 126.9 | 74% | 0.74 | 74% | 0.742 | S | S | * | * | S | Bend | cis | -87.5 | -155.5 | 8.1 | 40.9 | -39.2 | 0 | 0 | 0 | 112.2 | ||
| 576 | P | 30.5 | Very low | 31.6 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 64% | 0.636 | 73% | 0.728 | S | S | * | * | -128.4 | -178.3 | -93.3 | 39.5 | -22.6 | 0 | 0 | 0 | 115.6 | |||||
| 577 | L | 24.8 | Very low | 31.5 | Very low | 145 Ų | 145 | 124.5 Ų | 124.5 | 76% | 0.759 | 72% | 0.716 | S | S | * | * | trans | 86.4 | 102.2 | 169.1 | -55.2 | 179.1 | 0 | 0 | 0 | 118.1 | ||||
| 578 | T | 26 | Very low | 31.6 | Very low | 124 Ų | 124 | 123.6 Ų | 123.6 | 76% | 0.761 | 71% | 0.71 | S | S | * | * | 30.9 | 134.3 | 125.5 | 35.9 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 579 | A | 26.4 | Very low | 31.6 | Very low | 79 Ų | 79 | 123 Ų | 123 | 65% | 0.653 | 70% | 0.697 | S | S | * | * | cis | -163.5 | 164.9 | 5.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 580 | L | 29.3 | Very low | 31.8 | Very low | 155 Ų | 155 | 125.2 Ų | 125.2 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | trans | 70.3 | 143.3 | 165.1 | -54.3 | 174.2 | 0 | 0 | 0 | 117.1 | ||||
| 581 | R | 29.9 | Very low | 31.6 | Very low | 215 Ų | 215 | 120.9 Ų | 120.9 | 81% | 0.811 | 70% | 0.698 | S | S | * | * | cis | -175.7 | 122.5 | -33.5 | -126.3 | -169.1 | -165.4 | -160.3 | 5.2 | 107.2 | ||||
| 582 | F | 31.8 | Very low | 31.4 | Very low | 184 Ų | 184 | 120.8 Ų | 120.8 | 81% | 0.807 | 70% | 0.698 | S | S | * | * | trans | -164.8 | 169.3 | 148.3 | -91.4 | -60 | 0 | 0 | 0 | 108.4 | ||||
| 583 | D | 40.1 | Very low | 31.4 | Very low | 101 Ų | 101 | 118.1 Ų | 118.1 | 54% | 0.54 | 70% | 0.697 | S | S | . | * | trans | -103.1 | -179.1 | -160.6 | 75.6 | 12.3 | 0 | 0 | 0 | 115.2 | N585 G586 | D583-N585 PolarHBondContact O-N 3.13Å; D583-N585 WeakPolarHBondContact OD1-CA 3.38Å; D583-N585 VanDerWaalsContact OD1-CB 3.25Å; D583-N585 WeakPolarHBondContact OD1-CB 3.42Å; D583-N585 PolarHBondContact OD1-N 3.25Å; D583-N585 PolarHBondContact OD1-ND2 2.69Å; D583-N585 VanDerWaalsContact OD1-ND2 3.12Å; D583-N585 PolarHBondContact OD2-ND2 2.86Å; D583-G586 PolarHBondContact O-N 2.98Å | ||
| 584 | A | 33 | Very low | 31.2 | Very low | 108 Ų | 108 | 121.1 Ų | 121.1 | 89% | 0.893 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | 4.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 585 | N | 48.2 | Very low | 30.7 | Very low | 135 Ų | 135 | 123.2 Ų | 123.2 | 72% | 0.722 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.7 | -11.6 | 177.4 | -50.5 | -66.1 | 0 | 0 | 0 | 113 | D583 Q587 | D583-N585 PolarHBondContact O-N 3.13Å; D583-N585 WeakPolarHBondContact OD1-CA 3.38Å; D583-N585 VanDerWaalsContact OD1-CB 3.25Å; D583-N585 WeakPolarHBondContact OD1-CB 3.42Å; D583-N585 PolarHBondContact OD1-N 3.25Å; D583-N585 PolarHBondContact OD1-ND2 2.69Å; D583-N585 VanDerWaalsContact OD1-ND2 3.12Å; D583-N585 PolarHBondContact OD2-ND2 2.86Å; N585-Q587 PolarHBondContact O-N 3.32Å |
| 586 | G | 32.8 | Very low | 30.5 | Very low | 51 Ų | 51 | 122.7 Ų | 122.7 | 53% | 0.526 | 71% | 0.71 | S | S | . | * | trans | 67.7 | 38.3 | 157.2 | 0 | 0 | 0 | 0 | 0 | 118.4 | D583 | D583-G586 PolarHBondContact O-N 2.98Š| ||
| 587 | Q | 28.3 | Very low | 30.6 | Very low | 86 Ų | 86 | 124 Ų | 124 | 40% | 0.402 | 72% | 0.719 | S | S | . | * | trans | -138.6 | 161.6 | 166.4 | -80.9 | -57.3 | -77.9 | 0 | 0 | 113.2 | N585 | N585-Q587 PolarHBondContact O-N 3.32Š| ||
| 588 | P | 36.5 | Very low | 30.6 | Very low | 91 Ų | 91 | 121 Ų | 121 | 59% | 0.591 | 72% | 0.722 | S | S | * | * | trans | -128.3 | -122 | -150.6 | 42 | -23.4 | 0 | 0 | 0 | 113.3 | ||||
| 589 | N | 31.7 | Very low | 30.6 | Very low | 141 Ų | 141 | 118 Ų | 118 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | 92.5 | 163.1 | 167.5 | -129.8 | 28.9 | 0 | 0 | 0 | 116.2 | ||||
| 590 | P | 34.1 | Very low | 30.8 | Very low | 100 Ų | 100 | 122 Ų | 122 | 65% | 0.649 | 73% | 0.727 | S | S | * | * | -140.1 | -179.1 | -83.9 | 44.5 | -29.3 | 0 | 0 | 0 | 117.5 | |||||
| 591 | A | 26.4 | Very low | 30.5 | Very low | 100 Ų | 100 | 118.9 Ų | 118.9 | 83% | 0.826 | 71% | 0.714 | S | S | * | * | trans | 64.8 | 107.7 | 141.9 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 592 | A | 29.1 | Very low | 30.3 | Very low | 95 Ų | 95 | 118.7 Ų | 118.7 | 79% | 0.785 | 72% | 0.715 | S | S | * | * | trans | -162.2 | 139.3 | 133.1 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 593 | A | 25.6 | Very low | 30 | Very low | 83 Ų | 83 | 115 Ų | 115 | 69% | 0.686 | 71% | 0.71 | S | S | * | * | cis | 84.8 | 129.1 | 19.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 594 | F | 23.8 | Very low | 29.2 | Very low | 183 Ų | 183 | 116 Ų | 116 | 80% | 0.803 | 72% | 0.719 | S | S | * | * | trans | 71.6 | 107.8 | 168 | -70.7 | -86.9 | 0 | 0 | 0 | 121.3 | ||||
| 595 | Y | 24.1 | Very low | 28.8 | Very low | 200 Ų | 200 | 116.8 Ų | 116.8 | 78% | 0.784 | 72% | 0.717 | S | S | * | * | 62.9 | 116.1 | 121.8 | -91.4 | -104.6 | 0 | 0 | 0 | 122.7 | |||||
| 596 | S | 27.8 | Very low | 27.6 | Very low | 103 Ų | 103 | 113.8 Ų | 113.8 | 72% | 0.72 | 72% | 0.718 | S | S | * | * | trans | 65.6 | 172.7 | 140.6 | 47 | 0 | 0 | 0 | 0 | 120 | ||||
| 597 | P | 33.2 | Very low | 27.3 | Very low | 126 Ų | 126 | 116.8 Ų | 116.8 | 82% | 0.818 | 73% | 0.728 | S | S | * | * | cis | -134.3 | 163.3 | -23.4 | 26.7 | -6.3 | 0 | 0 | 0 | 116.4 | ||||
| 598 | G | 25.5 | Very low | 27.1 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | 113.3 | 141.8 | 135.4 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 599 | G | 25.6 | Very low | 26.5 | Very low | 63 Ų | 63 | 127.9 Ų | 127.9 | 65% | 0.649 | 76% | 0.763 | S | S | * | * | S | Bend | trans | 89.7 | 111.7 | 166.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 600 | D | 30.2 | Very low | 26.1 | Very low | 161 Ų | 161 | 127.4 Ų | 127.4 | 86% | 0.861 | 76% | 0.759 | S | S | * | * | cis | -98.7 | 141 | -12.4 | -63.8 | -52.9 | 0 | 0 | 0 | 109.2 | ||||
| 601 | V | 23.6 | Very low | 25.7 | Very low | 90 Ų | 90 | 130 Ų | 130 | 55% | 0.545 | 77% | 0.768 | S | S | . | * | cis | 88.7 | 130.1 | 28.4 | -169.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 602 | Y | 24.1 | Very low | 25.7 | Very low | 212 Ų | 212 | 132.5 Ų | 132.5 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | trans | 80.2 | 146.8 | -176.3 | -51.5 | -64.5 | 0 | 0 | 0 | 116.6 | ||||
| 603 | P | 25.3 | Very low | 25.6 | Very low | 106 Ų | 106 | 133.6 Ų | 133.6 | 69% | 0.688 | 77% | 0.765 | S | S | * | * | -139.8 | -176 | -67.9 | 36.2 | -17.8 | 0 | 0 | 0 | 113.9 | |||||
| 604 | V | 24.5 | Very low | 25.6 | Very low | 123 Ų | 123 | 136.5 Ų | 136.5 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | trans | 62.5 | 108.6 | 145 | 161.4 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 605 | C | 23.6 | Very low | 25.6 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | 58 | 101.7 | 70.7 | -62.8 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 606 | G | 23.3 | Very low | 25.8 | Very low | 72 Ų | 72 | 131.8 Ų | 131.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | trans | 100.3 | -175.1 | 167.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 607 | P | 27.5 | Very low | 25.6 | Very low | 113 Ų | 113 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | -124.4 | 158.7 | -121.2 | 40 | -30.2 | 0 | 0 | 0 | 115.6 | |||||
| 608 | R | 23.3 | Very low | 25.1 | Very low | 240 Ų | 240 | 135.3 Ų | 135.3 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | 71.8 | 156.7 | 179.5 | -44.7 | 169.1 | 172.7 | 159.6 | -3.5 | 111.8 | ||||
| 609 | M | 23.3 | Very low | 25.2 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 84% | 0.837 | 77% | 0.771 | S | S | * | * | cis | -123.4 | 143.3 | 6.7 | -66 | -179.7 | -62.5 | 0 | 0 | 112.5 | ||||
| 610 | I | 25 | Very low | 25.3 | Very low | 131 Ų | 131 | 140.1 Ų | 140.1 | 67% | 0.672 | 77% | 0.774 | S | S | * | * | trans | 4.6 | 124 | 135.5 | -42.4 | 177.9 | 0 | 0 | 0 | 116.1 | E612 | I610-E612 HydrophobicContact CG2-CB 4.11Å; I610-E612 HydrophobicContact CG2-CG 3.72Å; I610-E612 VanDerWaalsContact CG2-OE2 3.28Å; I610-E612 WeakPolarHBondContact CG2-OE2 3.47Å | ||
| 611 | D | 25.4 | Very low | 25.3 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 77% | 0.771 | S | S | * | * | -129.6 | 127 | 128.9 | -168.6 | 4 | 0 | 0 | 0 | 107.5 | |||||
| 612 | E | 26.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 142 Ų | 142 | 72% | 0.715 | 79% | 0.788 | S | S | * | * | trans | -115.2 | 111.8 | -170.9 | -90.4 | 171.2 | 129.5 | 0 | 0 | 109.9 | I610 | I610-E612 HydrophobicContact CG2-CB 4.11Å; I610-E612 HydrophobicContact CG2-CG 3.72Å; I610-E612 VanDerWaalsContact CG2-OE2 3.28Å; I610-E612 WeakPolarHBondContact CG2-OE2 3.47Å | ||
| 613 | S | 26.8 | Very low | 25.7 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -133.2 | 37.3 | 167.4 | 43.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 614 | L | 24.3 | Very low | 26 | Very low | 144 Ų | 144 | 137 Ų | 137 | 75% | 0.754 | 79% | 0.785 | S | S | * | * | S | Bend | trans | -111.2 | 146.4 | 153.7 | -82.8 | 171.9 | 0 | 0 | 0 | 109.1 | ||
| 615 | M | 25 | Very low | 26.1 | Very low | 170 Ų | 170 | 136 Ų | 136 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 78.4 | 143.1 | 176.6 | -53.7 | -59.9 | 145.8 | 0 | 0 | 117.1 | ||
| 616 | P | 27.3 | Very low | 26.2 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -97 | 158.8 | 178.3 | 38.3 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 617 | V | 24.9 | Very low | 26.5 | Very low | 149 Ų | 149 | 138.2 Ų | 138.2 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -166.5 | 165.9 | 147.5 | 127 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 618 | Q | 22.8 | Very low | 26.7 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 72% | 0.715 | 80% | 0.795 | S | S | * | * | trans | -79.4 | 178.2 | -179.9 | -84.2 | 165.2 | -140.7 | 0 | 0 | 114.6 | ||||
| 619 | E | 27.4 | Very low | 27 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 79% | 0.792 | S | S | * | * | trans | 75.2 | 157.4 | 158 | -77 | 143.3 | -124.6 | 0 | 0 | 117.6 | ||||
| 620 | G | 27.7 | Very low | 27.2 | Very low | 68 Ų | 68 | 128.4 Ų | 128.4 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | 171.2 | 32.4 | -2.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 621 | A | 30.2 | Very low | 27.5 | Very low | 96 Ų | 96 | 131.9 Ų | 131.9 | 79% | 0.793 | 80% | 0.801 | S | S | * | * | trans | 68.5 | 165 | 173.7 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 622 | E | 28.5 | Very low | 27.7 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | 64.6 | 159.7 | 171.1 | -59.7 | -170 | 174.4 | 0 | 0 | 119 | ||||
| 623 | A | 27.4 | Very low | 28.4 | Very low | 73 Ų | 73 | 126 Ų | 126 | 60% | 0.603 | 80% | 0.797 | S | S | * | * | cis | -165.3 | 140 | -41.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 624 | T | 30.5 | Very low | 29.2 | Very low | 140 Ų | 140 | 125.9 Ų | 125.9 | 86% | 0.859 | 80% | 0.795 | S | S | * | * | trans | 63.3 | 147.5 | 150.2 | 52.6 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 625 | A | 28.5 | Very low | 30.8 | Very low | 102 Ų | 102 | 121 Ų | 121 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 85.5 | 110.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 626 | A | 24.9 | Very low | 32.7 | Very low | 94 Ų | 94 | 119.1 Ų | 119.1 | 78% | 0.777 | 76% | 0.759 | S | S | * | * | trans | -153.1 | 101.6 | 161.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 627 | T | 30.5 | Very low | 34.6 | Very low | 150 Ų | 150 | 123.7 Ų | 123.7 | 92% | 0.92 | 76% | 0.761 | S | S | * | * | trans | -165.3 | 116.8 | 162.6 | -2.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 628 | A | 31.1 | Very low | 36.7 | Very low | 90 Ų | 90 | 123.3 Ų | 123.3 | 74% | 0.744 | 75% | 0.749 | S | S | * | * | trans | -164.2 | 111.2 | 157.3 | 0 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 629 | V | 29.3 | Very low | 38.8 | Very low | 136 Ų | 136 | 118.1 Ų | 118.1 | 82% | 0.824 | 73% | 0.725 | S | S | * | * | 60.8 | 97.8 | 71.7 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 630 | A | 28.4 | Very low | 40.7 | Very low | 90 Ų | 90 | 111.8 Ų | 111.8 | 74% | 0.744 | 70% | 0.696 | S | S | * | * | cis | 94.6 | 92.4 | 39.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 631 | E | 30.5 | Very low | 42.9 | Very low | 205 Ų | 205 | 112.5 Ų | 112.5 | 96% | 0.958 | 69% | 0.687 | S | S | * | * | trans | -170.9 | 142.6 | 158.7 | -110.5 | 171.6 | -149.9 | 0 | 0 | 109 | ||||
| 632 | G | 30.4 | Very low | 44.9 | Very low | 59 Ų | 59 | 114 Ų | 114 | 61% | 0.608 | 68% | 0.676 | S | S | * | * | trans | 117 | 111.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 633 | S | 40.9 | Very low | 46.9 | Very low | 123 Ų | 123 | 105.4 Ų | 105.4 | 86% | 0.86 | 64% | 0.636 | S | S | * | * | trans | 52.8 | 135.9 | 153.1 | 52.4 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 634 | C | 43 | Very low | 49 | Very low | 117 Ų | 117 | 104 Ų | 104 | 79% | 0.791 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 131.3 | 171.6 | -171.5 | 0 | 0 | 0 | 0 | 111.1 | ||
| 635 | M | 58.1 | Low | 51.2 | Low | 41 Ų | 41 | 102.2 Ų | 102.2 | 20% | 0.202 | 60% | 0.601 | C | S | . | * | P | Polyproline II helix | trans | -85.9 | 126.9 | -179.4 | -173.1 | -170.9 | -73.5 | 0 | 0 | 111.9 | E639 F682 L747 L750 R754 | M635-E639 WeakPolarHBondContact CA-OE2 3.44Å; M635-E639 HydrophobicContact CG-CB 4.32Å; M635-E639 WeakPolarHBondContact CG-OE2 3.4Å; M635-F682 HydrophobicContact CE-CE1 4.12Å; M635-F682 HydrophobicContact SD-CE1 4.15Å; M635-L747 HydrophobicContact CE-CD1 3.66Å; M635-L747 HydrophobicContact SD-CD1 4.47Å; M635-L750 HydrophobicContact CE-CD1 3.71Å; M635-L750 HydrophobicContact SD-CD1 4.32Å; M635-R754 PolarHBondContact O-NH1 2.83Å; M635-R754 VanDerWaalsContact O-NH1 3.15Å |
| 636 | E | 64.1 | Low | 53.5 | Low | 132 Ų | 132 | 98.3 Ų | 98.3 | 62% | 0.617 | 57% | 0.566 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 163.4 | -171.2 | -64.6 | -162.3 | 167.4 | 0 | 0 | 114.1 | E638 E639 M640 | E636-E638 PolarHBondContact O-N 2.99Å; E636-E639 HydrophobicContact CB-CG 3.97Å; E636-E639 PolarHBondContact N-OE2 2.71Å; E636-E639 PolarHBondContact O-N 3.15Å; E636-M640 PolarHBondContact O-N 2.94Å |
| 637 | R | 67.3 | Low | 55.7 | Low | 209 Ų | 209 | 94.3 Ų | 94.3 | 79% | 0.789 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.3 | -31.6 | -171.1 | -174.3 | 174.5 | 178.9 | 154.1 | 1.8 | 113.8 | T641 | R637-T641 PolarHBondContact O-N 2.72Å; R637-T641 PolarHBondContact O-OG1 2.93Å |
| 638 | E | 69.7 | Low | 57.9 | Low | 141 Ų | 141 | 88.9 Ų | 88.9 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.7 | -39.1 | 178.9 | -60.5 | -166.9 | 174.8 | 0 | 0 | 111.7 | E636 T641 K642 | E636-E638 PolarHBondContact O-N 2.99Å; E638-T641 WeakPolarHBondContact O-CB 3.49Å; E638-T641 PolarHBondContact O-N 2.87Å; E638-K642 PolarHBondContact O-N 3.37Å |
| 639 | E | 66.5 | Low | 60.2 | Low | 44 Ų | 44 | 90.1 Ų | 90.1 | 21% | 0.206 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -59.7 | -50.7 | 177.5 | -37.8 | -177.5 | 140.3 | 0 | 0 | 109.6 | M635 E636 T641 K642 L643 P681 F682 | M635-E639 WeakPolarHBondContact CA-OE2 3.44Å; M635-E639 HydrophobicContact CG-CB 4.32Å; M635-E639 WeakPolarHBondContact CG-OE2 3.4Å; E636-E639 HydrophobicContact CB-CG 3.97Å; E636-E639 PolarHBondContact N-OE2 2.71Å; E636-E639 PolarHBondContact O-N 3.15Å; E639-T641 PolarHBondContact O-N 2.59Å; E639-K642 PolarHBondContact O-N 3.24Å; E639-L643 PolarHBondContact O-N 3.2Å; E639-P681 HydrophobicContact CB-CB 4.43Å; E639-P681 HydrophobicContact CB-CG 3.79Å; E639-P681 VanDerWaalsContact CD-CB 3.42Å; E639-P681 HydrophobicContact CG-CB 4.07Å; E639-P681 HydrophobicContact CG-CG 3.71Å; E639-P681 WeakPolarHBondContact OE1-CB 3.42Å; E639-F682 HydrophobicContact CB-CE2 4.31Å; E639-F682 HydrophobicContact CB-CZ 3.9Å; E639-F682 WeakPolarHBondContact O-CZ 3.43Å |
| 640 | M | 66.7 | Low | 62.4 | Low | 45 Ų | 45 | 85 Ų | 85 | 22% | 0.222 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -57.4 | -31.8 | 176.7 | -161.7 | 177.2 | 81.7 | 0 | 0 | 113.4 | E636 R754 L756 | E636-M640 PolarHBondContact O-N 2.94Å; M640-R754 HydrophobicContact SD-CB 4.43Å; M640-R754 WeakPolarHBondContact SD-CD 3.29Å; M640-R754 PolarHBondContact SD-NH1 3.32Å; M640-R754 VanDerWaalsContact SD-NH1 3.42Å; M640-L756 HydrophobicContact CE-CD2 4.24Å; M640-L756 HydrophobicContact CG-CD1 3.38Å; M640-L756 HydrophobicContact CG-CD2 3.83Å; M640-L756 HydrophobicContact CG-CG 4.27Å; M640-L756 HydrophobicContact SD-CD1 3.86Å; M640-L756 HydrophobicContact SD-CD2 4.2Å |
| 641 | T | 74.6 | Confident | 64.9 | Low | 82 Ų | 82 | 86.6 Ų | 86.6 | 50% | 0.503 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -74.1 | -43.2 | 179.8 | -54.7 | 0 | 0 | 0 | 0 | 111.3 | R637 E638 E639 L643 V644 E645 | R637-T641 PolarHBondContact O-N 2.72Å; R637-T641 PolarHBondContact O-OG1 2.93Å; E638-T641 WeakPolarHBondContact O-CB 3.49Å; E638-T641 PolarHBondContact O-N 2.87Å; E639-T641 PolarHBondContact O-N 2.59Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.87Å; T641-V644 PolarHBondContact O-N 2.88Å; T641-E645 PolarHBondContact O-N 3.01Å |
| 642 | K | 72.5 | Confident | 67.5 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 56% | 0.561 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -62.1 | -35.4 | 178.4 | -68.1 | 171.8 | -177.7 | 169.1 | 0 | 112.8 | E638 E639 E645 M646 | E638-K642 PolarHBondContact O-N 3.37Å; E639-K642 PolarHBondContact O-N 3.24Å; K642-E645 PolarHBondContact O-N 2.86Å; K642-M646 PolarHBondContact O-N 3.07Å |
| 643 | L | 69.3 | Low | 70.1 | Confident | 12 Ų | 12 | 76.7 Ų | 76.7 | 6% | 0.063 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -69.2 | -39.6 | 179.9 | -159.5 | 162.9 | 0 | 0 | 0 | 111.5 | E639 T641 M646 L647 F682 L747 L751 | E639-L643 PolarHBondContact O-N 3.2Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 2.87Å; L643-M646 HydrophobicContact CD2-CE 4.45Å; L643-M646 HydrophobicContact CG-CE 4.41Å; L643-M646 PolarHBondContact O-N 2.93Å; L643-L647 HydrophobicContact CD2-CD1 3.61Å; L643-L647 HydrophobicContact CD2-CG 4.1Å; L643-L647 WeakPolarHBondContact O-CG 3.34Å; L643-L647 PolarHBondContact O-N 3.29Å; L643-L647 VanDerWaalsContact O-N 3.11Å; L643-F682 HydrophobicContact CB-CE2 4.42Å; L643-F682 HydrophobicContact CB-CZ 4.08Å; L643-F682 HydrophobicContact CD1-CD1 4.34Å; L643-F682 HydrophobicContact CD1-CE1 3.72Å; L643-F682 HydrophobicContact CD1-CZ 3.84Å; L643-F682 HydrophobicContact CG-CZ 4.49Å; L643-L747 HydrophobicContact CD1-CD1 3.92Å; L643-L747 HydrophobicContact CD1-CD2 4.44Å; L643-L751 HydrophobicContact CD1-CD2 4.26Å; L643-L751 HydrophobicContact CD2-CD2 3.76Å |
| 644 | V | 73.1 | Confident | 72.4 | Confident | 42 Ų | 42 | 77.2 Ų | 77.2 | 26% | 0.255 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | 171.6 | 174.6 | 0 | 0 | 0 | 0 | 110.9 | T641 M646 L647 S648 L756 | T641-V644 PolarHBondContact O-N 2.88Å; V644-M646 VanDerWaalsContact C-N 3.3Å; V644-M646 PolarHBondContact O-N 3.18Å; V644-L647 PolarHBondContact O-N 3.19Å; V644-L647 VanDerWaalsContact O-N 3.09Å; V644-S648 PolarHBondContact O-N 2.84Å; V644-S648 PolarHBondContact O-OG 2.84Å; V644-L756 HydrophobicContact CG2-CB 4.18Å; V644-L756 HydrophobicContact CG2-CD2 3.69Å |
| 645 | E | 76.6 | Confident | 74.6 | Confident | 104 Ų | 104 | 72.9 Ų | 72.9 | 49% | 0.486 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -58.9 | -40.7 | 178.4 | -162.3 | -165.9 | 132 | 0 | 0 | 112.2 | T641 K642 S648 R649 | T641-E645 PolarHBondContact O-N 3.01Å; K642-E645 PolarHBondContact O-N 2.86Å; E645-S648 PolarHBondContact O-N 2.98Å; E645-R649 WeakPolarHBondContact O-CG 3.44Å; E645-R649 IonicContact OE1-CZ 2.73Å; E645-R649 IonicContact OE1-NE 3.13Å; E645-R649 IonicContact OE1-NH2 2.74Å; E645-R649 PolarHBondContact OE1-NH2 3.47Å |
| 646 | M | 75.7 | Confident | 75.9 | Confident | 20 Ų | 20 | 73.7 Ų | 73.7 | 10% | 0.099 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60.6 | -48.3 | 172.4 | -179.4 | -167.2 | 71.5 | 0 | 0 | 111.7 | K642 L643 V644 S648 R649 L670 A675 F690 | K642-M646 PolarHBondContact O-N 3.07Å; L643-M646 HydrophobicContact CD2-CE 4.45Å; L643-M646 HydrophobicContact CG-CE 4.41Å; L643-M646 PolarHBondContact O-N 2.93Å; V644-M646 VanDerWaalsContact C-N 3.3Å; V644-M646 PolarHBondContact O-N 3.18Å; M646-S648 PolarHBondContact O-N 2.92Å; M646-R649 PolarHBondContact O-N 2.83Å; M646-L670 HydrophobicContact CG-CD2 4.48Å; M646-L670 WeakPolarHBondContact O-CD1 3.33Å; M646-A675 HydrophobicContact SD-CB 4.38Å; M646-F690 HydrophobicContact CE-CE1 4.19Å; M646-F690 HydrophobicContact CE-CZ 3.75Å |
| 647 | L | 72 | Confident | 77.1 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -63.1 | -26 | -179.1 | -70.2 | 170.5 | 0 | 0 | 0 | 113.4 | L643 V644 R649 I650 F690 C736 | L643-L647 HydrophobicContact CD2-CD1 3.61Å; L643-L647 HydrophobicContact CD2-CG 4.1Å; L643-L647 WeakPolarHBondContact O-CG 3.34Å; L643-L647 PolarHBondContact O-N 3.29Å; L643-L647 VanDerWaalsContact O-N 3.11Å; V644-L647 PolarHBondContact O-N 3.19Å; V644-L647 VanDerWaalsContact O-N 3.09Å; L647-R649 VanDerWaalsContact C-N 3.34Å; L647-R649 PolarHBondContact O-N 3.36Å; L647-I650 WeakPolarHBondContact O-CD1 3.45Å; L647-F690 HydrophobicContact CD2-CD1 4.47Å; L647-F690 HydrophobicContact CD2-CE1 3.96Å; L647-C736 HydrophobicContact CD2-CB 4.24Å |
| 648 | S | 75.9 | Confident | 78.2 | Confident | 37 Ų | 37 | 64.5 Ų | 64.5 | 26% | 0.259 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -3.3 | 177.4 | -68.7 | 0 | 0 | 0 | 0 | 115.1 | V644 E645 M646 I650 G758 D759 | V644-S648 PolarHBondContact O-N 2.84Å; V644-S648 PolarHBondContact O-OG 2.84Å; E645-S648 PolarHBondContact O-N 2.98Å; M646-S648 PolarHBondContact O-N 2.92Å; S648-I650 VanDerWaalsContact C-N 3.33Å; S648-I650 PolarHBondContact O-N 3.5Å; S648-G758 WeakPolarHBondContact OG-CA 3.45Å; S648-D759 WeakPolarHBondContact CB-OD2 3.27Å; S648-D759 PolarHBondContact OG-N 3.44Å; S648-D759 PolarHBondContact OG-OD2 2.85Å |
| 649 | R | 79 | Confident | 79 | Confident | 115 Ų | 115 | 58.4 Ų | 58.4 | 43% | 0.434 | 30% | 0.298 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.8 | 14.9 | -177.1 | -65.4 | 175.7 | -171.5 | -175.3 | 9.7 | 114.8 | E645 M646 L647 E674 | E645-R649 WeakPolarHBondContact O-CG 3.44Å; E645-R649 IonicContact OE1-CZ 2.73Å; E645-R649 IonicContact OE1-NE 3.13Å; E645-R649 IonicContact OE1-NH2 2.74Å; E645-R649 PolarHBondContact OE1-NH2 3.47Å; M646-R649 PolarHBondContact O-N 2.83Å; L647-R649 VanDerWaalsContact C-N 3.34Å; L647-R649 PolarHBondContact O-N 3.36Å; R649-E674 IonicContact CZ-OE1 3.01Å; R649-E674 IonicContact CZ-OE2 3.9Å; R649-E674 IonicContact NH1-OE1 2.85Å; R649-E674 PolarHBondContact NH1-OE1 2.84Å; R649-E674 IonicContact NH1-OE2 2.73Å; R649-E674 PolarHBondContact NH1-OE2 2.81Å; R649-E674 IonicContact NH2-OE1 3.87Å; R649-E674 PolarHBondContact NH2-OE1 2.99Å; R649-E674 IonicContact NH2-OE2 2.74Å; R649-E674 PolarHBondContact NH2-OE2 2.89Å |
| 650 | I | 76.8 | Confident | 80 | Confident | 30 Ų | 30 | 59.4 Ų | 59.4 | 15% | 0.154 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -75.4 | 135.8 | -177.5 | -60.9 | 172.7 | 0 | 0 | 0 | 110.9 | L647 S648 L670 F733 C736 T761 | L647-I650 WeakPolarHBondContact O-CD1 3.45Å; S648-I650 VanDerWaalsContact C-N 3.33Å; S648-I650 PolarHBondContact O-N 3.5Å; I650-L670 HydrophobicContact CG1-CD1 4.1Å; I650-F733 HydrophobicContact CG2-CD2 4.1Å; I650-C736 HydrophobicContact CD1-CB 3.49Å; I650-C736 VanDerWaalsContact CD1-CB 3.49Å; I650-T761 HydrophobicContact CB-CG2 4.35Å; I650-T761 HydrophobicContact CG2-CG2 4.05Å |
| 651 | Q | 80.9 | Confident | 81 | Confident | 123 Ų | 123 | 63.4 Ų | 63.4 | 58% | 0.575 | 32% | 0.317 | S | S | * | . | P | Polyproline II helix | trans | -88.5 | 150.3 | 176.4 | -69.1 | -157 | 27.7 | 0 | 0 | 113.1 | F733 | Q651-F733 WeakPolarHBondContact O-CD2 3.26Š|
| 652 | P | 83.8 | Confident | 81.7 | Confident | 55 Ų | 55 | 63.3 Ų | 63.3 | 36% | 0.357 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 156.4 | 177 | 29 | -36.1 | 0 | 0 | 0 | 112.9 | E762 V764 | P652-E762 VanDerWaalsContact CB-O 3.32Å; P652-E762 WeakPolarHBondContact CB-O 3.31Å; P652-V764 HydrophobicContact CB-CG2 4.36Å |
| 653 | P | 86 | Confident | 82.5 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -79.8 | 128.9 | -177.5 | 32.2 | -35.6 | 0 | 0 | 0 | 113.1 | K666 L694 T731 F733 V764 | P653-K666 CarbonylContact C-O 3.55Å; P653-K666 WeakPolarHBondContact CA-O 3.29Å; P653-L694 HydrophobicContact CB-CD1 3.81Å; P653-L694 HydrophobicContact CG-CD1 3.59Å; P653-T731 HydrophobicContact CG-CG2 4.15Å; P653-F733 HydrophobicContact CB-CE2 3.88Å; P653-F733 HydrophobicContact CB-CZ 4.09Å; P653-F733 HydrophobicContact CG-CD2 4.49Å; P653-F733 HydrophobicContact CG-CE2 4.15Å; P653-V764 WeakPolarHBondContact O-CB 3.49Å; P653-V764 VanDerWaalsContact O-CG2 3.26Å; P653-V764 WeakPolarHBondContact O-CG2 3.26Å |
| 654 | E | 88.6 | Confident | 83.6 | Confident | 133 Ų | 133 | 56.8 Ų | 56.8 | 62% | 0.621 | 28% | 0.283 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.5 | 135.2 | 173.7 | -170.5 | -175.1 | 163.2 | 0 | 0 | 110.9 | A665 K666 | E654-A665 CarbonylContact O-C 3.54Å; E654-A665 VanDerWaalsContact O-CA 3.25Å; E654-A665 WeakPolarHBondContact O-CA 3.34Å; E654-K666 PolarHBondContact N-O 3.35Å; E654-K666 PolarHBondContact O-N 2.79Å |
| 655 | V | 89 | Confident | 84.3 | Confident | 27 Ų | 27 | 54.8 Ų | 54.8 | 16% | 0.164 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 100.1 | 176.3 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | V658 A663 L664 T731 V764 F766 | V655-V658 HydrophobicContact CG1-CG2 4.04Å; V655-A663 HydrophobicContact CG1-CB 4.08Å; V655-L664 CarbonylContact C-O 3.45Å; V655-L664 WeakPolarHBondContact CA-O 3.48Å; V655-T731 HydrophobicContact CG2-CG2 3.83Å; V655-V764 HydrophobicContact CB-CG1 4.5Å; V655-V764 HydrophobicContact CG2-CG1 4.05Å; V655-F766 HydrophobicContact CB-CD1 4.37Å; V655-F766 HydrophobicContact CG1-CB 4.25Å; V655-F766 HydrophobicContact CG1-CD1 4.03Å; V655-F766 HydrophobicContact CG1-CD2 4.28Å; V655-F766 HydrophobicContact CG1-CE1 4.43Å; V655-F766 HydrophobicContact CG1-CG 3.94Å; V655-F766 HydrophobicContact CG2-CD1 3.94Å; V655-F766 HydrophobicContact CG2-CE1 4.21Å |
| 656 | C | 86.4 | Confident | 84.8 | Confident | 57 Ų | 57 | 53.2 Ų | 53.2 | 39% | 0.385 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.6 | -34.7 | -167.2 | -53.2 | 0 | 0 | 0 | 0 | 114.2 | L664 | C656-L664 PolarHBondContact N-O 3.02Å |
| 657 | E | 88.8 | Confident | 85.3 | Confident | 111 Ų | 111 | 53.3 Ų | 53.3 | 52% | 0.519 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 143.5 | -177.2 | -64.9 | -174.5 | -146.8 | 0 | 0 | 111 | A663 L664 W719 | E657-A663 CarbonylContact O-C 3.49Å; E657-A663 WeakPolarHBondContact O-CA 3.37Å; E657-A663 WeakPolarHBondContact O-CB 3.49Å; E657-L664 HydrophobicContact CB-CB 4.09Å; E657-L664 PolarHBondContact O-N 3.34Å; E657-W719 HydrophobicContact CB-CH2 4.44Å |
| 658 | V | 89.5 | Confident | 85.8 | Confident | 38 Ų | 38 | 59.3 Ų | 59.3 | 23% | 0.23 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 122.2 | 177.7 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | V655 A663 F766 R767 T768 K769 | V655-V658 HydrophobicContact CG1-CG2 4.04Å; V658-A663 HydrophobicContact CG1-CB 4.48Å; V658-A663 HydrophobicContact CG2-CB 4.28Å; V658-F766 HydrophobicContact CG1-CD2 4.04Å; V658-F766 HydrophobicContact CG2-CB 4.25Å; V658-F766 HydrophobicContact CG2-CD2 3.95Å; V658-F766 HydrophobicContact CG2-CG 4.45Å; V658-R767 WeakPolarHBondContact CG1-O 3.36Å; V658-T768 HydrophobicContact CG1-CG2 4.21Å; V658-K769 WeakPolarHBondContact O-CE 3.38Å; V658-K769 PolarHBondContact O-NZ 3.27Å |
| 659 | G | 87.6 | Confident | 85.7 | Confident | 12 Ų | 12 | 61.1 Ų | 61.1 | 12% | 0.124 | 30% | 0.3 | C | S | . | . | trans | -99.2 | -148.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | E662 K769 | G659-E662 PolarHBondContact N-O 3.19Å; G659-K769 PolarHBondContact O-N 2.61Å | ||
| 660 | I | 86.5 | Confident | 85.5 | Confident | 66 Ų | 66 | 56.1 Ų | 56.1 | 34% | 0.338 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -87.9 | -36.1 | 174.8 | -59.5 | 170.5 | 0 | 0 | 0 | 110.5 | P725 K769 T771 | I660-P725 HydrophobicContact CG2-CB 4.13Å; I660-P725 HydrophobicContact CG2-CG 4.02Å; I660-P725 WeakPolarHBondContact O-CA 3.39Å; I660-K769 HydrophobicContact CG1-CB 4.01Å; I660-T771 HydrophobicContact CG2-CG2 3.86Å |
| 661 | R | 87.3 | Confident | 85.2 | Confident | 128 Ų | 128 | 60 Ų | 60 | 48% | 0.483 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -135.1 | 18.5 | -178.3 | -61.9 | -159.6 | 170.8 | -167.9 | -5.9 | 114 | G722 L723 P725 E774 | R661-G722 PolarHBondContact O-N 3Å; R661-L723 VanDerWaalsContact CA-O 3.31Å; R661-L723 WeakPolarHBondContact CA-O 3.41Å; R661-L723 WeakPolarHBondContact CB-O 3.4Å; R661-L723 WeakPolarHBondContact CG-O 3.45Å; R661-L723 PolarHBondContact O-N 2.91Å; R661-P725 HydrophobicContact CG-CG 4.43Å; R661-E774 IonicContact NH2-OE1 3.4Å |
| 662 | E | 90.1 | Very high | 84.6 | Confident | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.374 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 157.5 | -173.1 | 71.3 | -144.9 | 140.9 | 0 | 0 | 112.7 | G659 W719 I720 F721 | G659-E662 PolarHBondContact N-O 3.19Å; E662-W719 HydrophobicContact CG-CZ3 4.18Å; E662-I720 CarbonylContact C-O 3.52Å; E662-I720 WeakPolarHBondContact CA-O 3.48Å; E662-F721 HydrophobicContact CB-CD1 3.78Å; E662-F721 HydrophobicContact CB-CE1 4.2Å |
| 663 | A | 89.6 | Confident | 83.9 | Confident | 0 Ų | 0 | 56.1 Ų | 56.1 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 161.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V655 E657 V658 I720 L723 F766 | V655-A663 HydrophobicContact CG1-CB 4.08Å; E657-A663 CarbonylContact O-C 3.49Å; E657-A663 WeakPolarHBondContact O-CA 3.37Å; E657-A663 WeakPolarHBondContact O-CB 3.49Å; V658-A663 HydrophobicContact CG1-CB 4.48Å; V658-A663 HydrophobicContact CG2-CB 4.28Å; A663-I720 PolarHBondContact N-O 2.85Å; A663-I720 PolarHBondContact O-N 2.88Å; A663-L723 HydrophobicContact CB-CD1 3.98Å; A663-F766 HydrophobicContact CB-CD2 4.03Å; A663-F766 HydrophobicContact CB-CE2 3.41Å; A663-F766 VanDerWaalsContact CB-CE2 3.41Å; A663-F766 HydrophobicContact CB-CZ 3.9Å |
| 664 | L | 91.5 | Very high | 82.8 | Confident | 5 Ų | 5 | 62.2 Ų | 62.2 | 3% | 0.026 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 120.4 | 179.2 | 175.9 | 55 | 0 | 0 | 0 | 110.9 | V655 C656 E657 K666 E717 W719 | V655-L664 CarbonylContact C-O 3.45Å; V655-L664 WeakPolarHBondContact CA-O 3.48Å; C656-L664 PolarHBondContact N-O 3.02Å; E657-L664 HydrophobicContact CB-CB 4.09Å; E657-L664 PolarHBondContact O-N 3.34Å; L664-K666 VanDerWaalsContact CD2-CE 3.42Å; L664-K666 HydrophobicContact CG-CG 4.36Å; L664-E717 HydrophobicContact CD1-CB 4.34Å; L664-W719 HydrophobicContact CB-CD2 4.12Å; L664-W719 HydrophobicContact CB-CE3 4.02Å; L664-W719 HydrophobicContact CB-CH2 4.04Å; L664-W719 HydrophobicContact CB-CZ2 4.14Å; L664-W719 HydrophobicContact CB-CZ3 3.98Å; L664-W719 HydrophobicContact CD1-CD2 4.03Å; L664-W719 HydrophobicContact CD1-CG 4.01Å; L664-W719 HydrophobicContact CD2-CH2 4.33Å; L664-W719 HydrophobicContact CD2-CZ2 3.77Å; L664-W719 HydrophobicContact CG-CZ2 4.37Å |
| 665 | A | 88.2 | Confident | 81.4 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 141.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | E654 L694 E717 Q718 I720 | E654-A665 CarbonylContact O-C 3.54Å; E654-A665 VanDerWaalsContact O-CA 3.25Å; E654-A665 WeakPolarHBondContact O-CA 3.34Å; A665-L694 HydrophobicContact CB-CD2 4.12Å; A665-E717 CarbonylContact O-C 3.5Å; A665-E717 VanDerWaalsContact O-CA 3.3Å; A665-E717 WeakPolarHBondContact O-CA 3.34Å; A665-Q718 PolarHBondContact N-O 2.87Å; A665-Q718 PolarHBondContact O-N 2.95Å; A665-I720 HydrophobicContact CB-CD1 4.05Å |
| 666 | K | 88.2 | Confident | 79.9 | Confident | 70 Ų | 70 | 57.8 Ų | 57.8 | 30% | 0.304 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 154.5 | -179.7 | -51.7 | -159.4 | -175.3 | -150.7 | 0 | 112.2 | P653 E654 L664 C716 E717 | P653-K666 CarbonylContact C-O 3.55Å; P653-K666 WeakPolarHBondContact CA-O 3.29Å; E654-K666 PolarHBondContact N-O 3.35Å; E654-K666 PolarHBondContact O-N 2.79Å; L664-K666 VanDerWaalsContact CD2-CE 3.42Å; L664-K666 HydrophobicContact CG-CG 4.36Å; K666-C716 WeakPolarHBondContact CA-O 3.3Å; K666-E717 HydrophobicContact CB-CB 4.44Å; K666-E717 HydrophobicContact CD-CB 4.17Å; K666-E717 VanDerWaalsContact CE-OE2 3.25Å; K666-E717 WeakPolarHBondContact CE-OE2 3.08Å; K666-E717 HydrophobicContact CG-CB 3.84Å; K666-E717 IonicContact NZ-OE2 2.9Å; K666-E717 PolarHBondContact NZ-OE2 2.81Å |
| 667 | W | 85.6 | Confident | 78.5 | Confident | 22 Ų | 22 | 58.1 Ų | 58.1 | 8% | 0.083 | 31% | 0.314 | C | S | . | . | trans | -153.9 | -177 | 179 | 62.2 | 100.5 | 0 | 0 | 0 | 112.1 | Y692 C711 Q715 C716 Q718 F733 | W667-Y692 AromaticContact NE1-CD2 3.67Å; W667-Y692 AromaticContact NE1-CE2 3.82Å; W667-Y692 AromaticContact NE1-CG 3.85Å; W667-C711 HydrophobicContact CH2-CB 3.65Å; W667-C711 VanDerWaalsContact CH2-SG 3.58Å; W667-C711 HydrophobicContact CZ2-CB 3.45Å; W667-C711 VanDerWaalsContact CZ2-CB 3.45Å; W667-Q715 WeakPolarHBondContact CH2-O 3.47Å; W667-Q715 WeakPolarHBondContact CZ2-O 3.36Å; W667-C716 PolarHBondContact N-O 2.91Å; W667-Q718 HydrophobicContact CH2-CB 3.94Å; W667-Q718 HydrophobicContact CZ3-CB 3.8Å; W667-F733 HydrophobicContact CB-CE2 3.88Å; W667-F733 HydrophobicContact CB-CZ 3.9Å; W667-F733 AromaticContact CD1-CZ 3.88Å; W667-F733 HydrophobicContact CD2-CE1 4.3Å; W667-F733 HydrophobicContact CD2-CE2 4.38Å; W667-F733 AromaticContact CD2-CZ 3.5Å; W667-F733 HydrophobicContact CD2-CZ 3.5Å; W667-F733 VanDerWaalsContact CD2-CZ 3.5Å; W667-F733 AromaticContact CE2-CZ 3.9Å; W667-F733 AromaticContact CE3-CZ 3.86Å; W667-F733 HydrophobicContact CE3-CZ 3.86Å; W667-F733 AromaticContact CG-CE2 3.95Å; W667-F733 HydrophobicContact CG-CE2 3.95Å; W667-F733 AromaticContact CG-CZ 3.5Å; W667-F733 HydrophobicContact CG-CZ 3.5Å | ||
| 668 | Q | 81.6 | Confident | 76.6 | Confident | 135 Ų | 135 | 61.1 Ų | 61.1 | 63% | 0.631 | 33% | 0.334 | S | S | * | . | trans | -114 | 150.5 | 178.4 | -64.1 | -175.7 | -0.6 | 0 | 0 | 111.5 | ||||
| 669 | P | 74.7 | Confident | 75 | Confident | 75 Ų | 75 | 63.5 Ų | 63.5 | 49% | 0.487 | 37% | 0.366 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 150 | 172.6 | -25.7 | 35.5 | 0 | 0 | 0 | 114 | Y692 N713 | P669-Y692 WeakPolarHBondContact CA-OH 3.15Å; P669-N713 WeakPolarHBondContact CB-OD1 3.38Å |
| 670 | L | 73.9 | Confident | 73.5 | Confident | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 134.3 | 166.6 | -178.9 | 61.9 | 0 | 0 | 0 | 111.3 | M646 I650 F690 Y692 | M646-L670 HydrophobicContact CG-CD2 4.48Å; M646-L670 WeakPolarHBondContact O-CD1 3.33Å; I650-L670 HydrophobicContact CG1-CD1 4.1Å; L670-F690 HydrophobicContact CD2-CD1 4.35Å; L670-F690 HydrophobicContact CD2-CE1 4.19Å; L670-F690 HydrophobicContact CD2-CE2 4.45Å; L670-F690 HydrophobicContact CD2-CZ 4.24Å; L670-Y692 PolarHBondContact N-OH 3.06Å |
| 671 | D | 71.5 | Confident | 71.7 | Confident | 111 Ų | 111 | 64.8 Ų | 64.8 | 59% | 0.594 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -83.4 | 120.7 | 173.6 | -173.8 | -8.9 | 0 | 0 | 0 | 110.7 | S673 | D671-S673 WeakPolarHBondContact OD1-CB 3.24Å; D671-S673 PolarHBondContact OD1-N 2.68Å; D671-S673 PolarHBondContact OD1-OG 3.17Å; D671-S673 PolarHBondContact OD2-OG 2.96Å |
| 672 | C | 67.6 | Low | 70.2 | Confident | 18 Ų | 18 | 60 Ų | 60 | 12% | 0.122 | 37% | 0.367 | C | S | . | . | trans | -106.1 | 7.8 | -178.7 | -53.6 | 0 | 0 | 0 | 0 | 113.3 | E674 A675 F690 | C672-E674 VanDerWaalsContact C-N 3.28Å; C672-E674 PolarHBondContact O-N 3.43Å; C672-A675 WeakPolarHBondContact O-CB 3.07Å; C672-A675 PolarHBondContact O-N 3.06Å; C672-F690 VanDerWaalsContact SG-CE2 3.52Å | ||
| 673 | S | 68.4 | Low | 68.6 | Low | 78 Ų | 78 | 60.1 Ų | 60.1 | 55% | 0.545 | 37% | 0.374 | S | S | . | . | G | 310 helix | trans | -57.6 | -34.5 | -171.5 | 55.2 | 0 | 0 | 0 | 0 | 114.4 | D671 A675 A676 | D671-S673 WeakPolarHBondContact OD1-CB 3.24Å; D671-S673 PolarHBondContact OD1-N 2.68Å; D671-S673 PolarHBondContact OD1-OG 3.17Å; D671-S673 PolarHBondContact OD2-OG 2.96Å; S673-A675 VanDerWaalsContact C-N 3.32Å; S673-A675 PolarHBondContact O-N 2.79Å; S673-A676 PolarHBondContact O-N 3.18Å |
| 674 | E | 64 | Low | 67.2 | Low | 129 Ų | 129 | 67.7 Ų | 67.7 | 60% | 0.603 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -69.1 | -24.7 | 177.6 | -72.6 | 178 | -160 | 0 | 0 | 113.8 | R649 C672 A676 | R649-E674 IonicContact CZ-OE1 3.01Å; R649-E674 IonicContact CZ-OE2 3.9Å; R649-E674 IonicContact NH1-OE1 2.85Å; R649-E674 PolarHBondContact NH1-OE1 2.84Å; R649-E674 IonicContact NH1-OE2 2.73Å; R649-E674 PolarHBondContact NH1-OE2 2.81Å; R649-E674 IonicContact NH2-OE1 3.87Å; R649-E674 PolarHBondContact NH2-OE1 2.99Å; R649-E674 IonicContact NH2-OE2 2.74Å; R649-E674 PolarHBondContact NH2-OE2 2.89Å; C672-E674 VanDerWaalsContact C-N 3.28Å; C672-E674 PolarHBondContact O-N 3.43Å; E674-A676 VanDerWaalsContact C-N 3.33Å |
| 675 | A | 59.5 | Low | 65.8 | Low | 21 Ų | 21 | 68.5 Ų | 68.5 | 17% | 0.174 | 41% | 0.414 | C | S | . | . | G | 310 helix | trans | -78.1 | -17.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | M646 C672 S673 A677 | M646-A675 HydrophobicContact SD-CB 4.38Å; C672-A675 WeakPolarHBondContact O-CB 3.07Å; C672-A675 PolarHBondContact O-N 3.06Å; S673-A675 VanDerWaalsContact C-N 3.32Å; S673-A675 PolarHBondContact O-N 2.79Å; A675-A677 PolarHBondContact O-N 3.04Å |
| 676 | A | 57.1 | Low | 64.6 | Low | 46 Ų | 46 | 73 Ų | 73 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -92 | 10.9 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115 | S673 E674 Q684 | S673-A676 PolarHBondContact O-N 3.18Å; E674-A676 VanDerWaalsContact C-N 3.33Å; A676-Q684 HydrophobicContact CB-CG 4.45Å |
| 677 | A | 56.7 | Low | 63.5 | Low | 64 Ų | 64 | 71 Ų | 71 | 53% | 0.529 | 44% | 0.435 | S | S | . | . | trans | -75.2 | 130.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | A675 G679 G680 | A675-A677 PolarHBondContact O-N 3.04Å; A677-G679 PolarHBondContact O-N 3.31Å; A677-G680 PolarHBondContact O-N 2.85Å | ||
| 678 | N | 49.9 | Very low | 62.6 | Low | 174 Ų | 174 | 74 Ų | 74 | 93% | 0.93 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | 124.2 | 177.4 | -78.9 | -37.7 | 0 | 0 | 0 | 112 | ||
| 679 | G | 55.4 | Low | 61.8 | Low | 88 Ų | 88 | 70.2 Ų | 70.2 | 91% | 0.907 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 87.3 | 2.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | A677 | A677-G679 PolarHBondContact O-N 3.31Š|
| 680 | G | 55.3 | Low | 61.4 | Low | 37 Ų | 37 | 66.8 Ų | 66.8 | 38% | 0.381 | 42% | 0.418 | S | S | . | . | trans | -69.9 | 159.9 | 164.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | A677 F682 | A677-G680 PolarHBondContact O-N 2.85Å; G680-F682 VanDerWaalsContact C-N 3.34Å | ||
| 681 | P | 49.3 | Very low | 61.2 | Low | 68 Ų | 68 | 67.2 Ų | 67.2 | 44% | 0.442 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -83.9 | -7.7 | -174.9 | 35 | -37.9 | 0 | 0 | 0 | 114.2 | E639 | E639-P681 HydrophobicContact CB-CB 4.43Å; E639-P681 HydrophobicContact CB-CG 3.79Å; E639-P681 VanDerWaalsContact CD-CB 3.42Å; E639-P681 HydrophobicContact CG-CB 4.07Å; E639-P681 HydrophobicContact CG-CG 3.71Å; E639-P681 WeakPolarHBondContact OE1-CB 3.42Å |
| 682 | F | 55.8 | Low | 61.4 | Low | 29 Ų | 29 | 62 Ų | 62 | 13% | 0.127 | 39% | 0.393 | C | S | . | . | S | Bend | trans | -98.6 | 135.7 | 178.5 | -59.9 | -61.7 | 0 | 0 | 0 | 110.4 | M635 E639 L643 G680 L747 | M635-F682 HydrophobicContact CE-CE1 4.12Å; M635-F682 HydrophobicContact SD-CE1 4.15Å; E639-F682 HydrophobicContact CB-CE2 4.31Å; E639-F682 HydrophobicContact CB-CZ 3.9Å; E639-F682 WeakPolarHBondContact O-CZ 3.43Å; L643-F682 HydrophobicContact CB-CE2 4.42Å; L643-F682 HydrophobicContact CB-CZ 4.08Å; L643-F682 HydrophobicContact CD1-CD1 4.34Å; L643-F682 HydrophobicContact CD1-CE1 3.72Å; L643-F682 HydrophobicContact CD1-CZ 3.84Å; L643-F682 HydrophobicContact CG-CZ 4.49Å; G680-F682 VanDerWaalsContact C-N 3.34Å; F682-L747 HydrophobicContact CD1-CD1 4.46Å; F682-L747 HydrophobicContact CE1-CD1 4.24Å |
| 683 | P | 56 | Low | 62 | Low | 81 Ų | 81 | 61.5 Ų | 61.5 | 53% | 0.526 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -62.7 | 156.5 | 162.6 | 30.7 | -34.4 | 0 | 0 | 0 | 109.2 | I685 | P683-I685 WeakPolarHBondContact O-CG1 3.47Å; P683-I685 PolarHBondContact O-N 2.93Å; P683-I685 VanDerWaalsContact O-N 3.09Å |
| 684 | Q | 60.6 | Low | 62.8 | Low | 159 Ų | 159 | 57.8 Ų | 57.8 | 74% | 0.743 | 36% | 0.363 | S | S | * | . | P | Polyproline II helix | trans | -58.4 | 117.4 | 178 | -68.3 | -178.9 | -47.1 | 0 | 0 | 110.5 | A676 | A676-Q684 HydrophobicContact CB-CG 4.45Š|
| 685 | I | 62.3 | Low | 63.9 | Low | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.118 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -95.2 | 125.3 | 176.2 | -54.9 | -179.8 | 0 | 0 | 0 | 107.7 | P683 F690 L738 L747 | P683-I685 WeakPolarHBondContact O-CG1 3.47Å; P683-I685 PolarHBondContact O-N 2.93Å; P683-I685 VanDerWaalsContact O-N 3.09Å; I685-F690 HydrophobicContact CG2-CE2 3.79Å; I685-F690 HydrophobicContact CG2-CZ 4Å; I685-L738 HydrophobicContact CD1-CD1 4.3Å; I685-L738 HydrophobicContact CG2-CD2 3.73Å; I685-L747 HydrophobicContact CD1-CD2 3.88Å |
| 686 | D | 63.9 | Low | 65.2 | Low | 93 Ų | 93 | 51.5 Ų | 51.5 | 50% | 0.497 | 33% | 0.331 | S | S | . | . | P | Polyproline II helix | trans | -80.4 | 137.3 | 174.7 | -168.6 | -64.9 | 0 | 0 | 0 | 110.1 | S688 E689 | D686-S688 VanDerWaalsContact CG-OG 3.31Å; D686-S688 PolarHBondContact O-N 3.03Å; D686-S688 VanDerWaalsContact O-N 3.09Å; D686-S688 VanDerWaalsContact OD1-CB 3.25Å; D686-S688 WeakPolarHBondContact OD1-CB 3.42Å; D686-S688 PolarHBondContact OD1-N 2.58Å; D686-S688 PolarHBondContact OD1-OG 2.76Å; D686-E689 HydrophobicContact CB-CG 4.38Å; D686-E689 WeakPolarHBondContact O-CB 3.26Å; D686-E689 PolarHBondContact O-N 3.39Å |
| 687 | A | 64.5 | Low | 66.5 | Low | 30 Ų | 30 | 51.6 Ų | 51.6 | 25% | 0.248 | 32% | 0.321 | C | S | . | . | G | 310 helix | trans | -58.6 | -25.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E689 F690 N713 | A687-E689 PolarHBondContact O-N 2.79Å; A687-F690 PolarHBondContact O-N 3.11Å; A687-N713 WeakPolarHBondContact O-CB 2.99Å; A687-N713 PolarHBondContact O-ND2 2.85Å |
| 688 | S | 66.4 | Low | 67.9 | Low | 83 Ų | 83 | 49.2 Ų | 49.2 | 58% | 0.58 | 30% | 0.299 | S | S | * | . | G | 310 helix | trans | -67.9 | -12.9 | 175.6 | 63.3 | 0 | 0 | 0 | 0 | 114.8 | D686 F690 | D686-S688 VanDerWaalsContact CG-OG 3.31Å; D686-S688 PolarHBondContact O-N 3.03Å; D686-S688 VanDerWaalsContact O-N 3.09Å; D686-S688 VanDerWaalsContact OD1-CB 3.25Å; D686-S688 WeakPolarHBondContact OD1-CB 3.42Å; D686-S688 PolarHBondContact OD1-N 2.58Å; D686-S688 PolarHBondContact OD1-OG 2.76Å; S688-F690 VanDerWaalsContact C-N 3.29Å; S688-F690 PolarHBondContact O-N 2.88Å |
| 689 | E | 64.2 | Low | 69.1 | Low | 56 Ų | 56 | 48.8 Ų | 48.8 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | G | 310 helix | trans | -75.4 | -14.4 | 177 | -64.4 | -177.1 | -172.9 | 0 | 0 | 113.7 | D686 A687 L738 W739 | D686-E689 HydrophobicContact CB-CG 4.38Å; D686-E689 WeakPolarHBondContact O-CB 3.26Å; D686-E689 PolarHBondContact O-N 3.39Å; A687-E689 PolarHBondContact O-N 2.79Å; E689-L738 HydrophobicContact CB-CD2 3.58Å; E689-L738 WeakPolarHBondContact O-CA 3.37Å; E689-W739 PolarHBondContact O-N 3.34Å |
| 690 | F | 68 | Low | 69.5 | Low | 3 Ų | 3 | 51.5 Ų | 51.5 | 1% | 0.013 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 141.4 | -176 | -67.8 | -81.6 | 0 | 0 | 0 | 114 | M646 L647 L670 C672 I685 A687 S688 N713 C736 L738 | M646-F690 HydrophobicContact CE-CE1 4.19Å; M646-F690 HydrophobicContact CE-CZ 3.75Å; L647-F690 HydrophobicContact CD2-CD1 4.47Å; L647-F690 HydrophobicContact CD2-CE1 3.96Å; L670-F690 HydrophobicContact CD2-CD1 4.35Å; L670-F690 HydrophobicContact CD2-CE1 4.19Å; L670-F690 HydrophobicContact CD2-CE2 4.45Å; L670-F690 HydrophobicContact CD2-CZ 4.24Å; C672-F690 VanDerWaalsContact SG-CE2 3.52Å; I685-F690 HydrophobicContact CG2-CE2 3.79Å; I685-F690 HydrophobicContact CG2-CZ 4Å; A687-F690 PolarHBondContact O-N 3.11Å; S688-F690 VanDerWaalsContact C-N 3.29Å; S688-F690 PolarHBondContact O-N 2.88Å; F690-N713 PolarHBondContact O-N 2.99Å; F690-C736 VanDerWaalsContact CD1-SG 3.53Å; F690-L738 HydrophobicContact CD1-CD2 3.82Å; F690-L738 HydrophobicContact CD1-CG 4.34Å; F690-L738 HydrophobicContact CD2-CD2 4.18Å; F690-L738 HydrophobicContact CE1-CD2 3.61Å; F690-L738 HydrophobicContact CE1-CG 4.01Å; F690-L738 HydrophobicContact CE2-CD2 3.97Å; F690-L738 HydrophobicContact CG-CD2 4.12Å; F690-L738 HydrophobicContact CZ-CD2 3.69Å; F690-L738 HydrophobicContact CZ-CG 4.43Å |
| 691 | T | 69.1 | Low | 69.6 | Low | 21 Ų | 21 | 56.7 Ų | 56.7 | 13% | 0.129 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 131 | 173.7 | -51.9 | 0 | 0 | 0 | 0 | 111.1 | C736 Y737 | T691-C736 WeakPolarHBondContact O-CA 3.46Å; T691-Y737 HydrophobicContact CG2-CE2 4.23Å; T691-Y737 PolarHBondContact N-O 3.23Å |
| 692 | Y | 75.8 | Confident | 70 | Confident | 1 Ų | 1 | 60 Ų | 60 | 0% | 0.004 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | 150.2 | 174 | -54.5 | -90.3 | 0 | 0 | 0 | 111.9 | W667 P669 L670 K710 C711 N713 F733 | W667-Y692 AromaticContact NE1-CD2 3.67Å; W667-Y692 AromaticContact NE1-CE2 3.82Å; W667-Y692 AromaticContact NE1-CG 3.85Å; P669-Y692 WeakPolarHBondContact CA-OH 3.15Å; L670-Y692 PolarHBondContact N-OH 3.06Å; Y692-K710 WeakPolarHBondContact O-CA 3.29Å; Y692-C711 PolarHBondContact N-O 3.29Å; Y692-C711 PolarHBondContact O-N 2.92Å; Y692-N713 HydrophobicContact CE2-CB 3.9Å; Y692-N713 VanDerWaalsContact CE2-OD1 3.25Å; Y692-N713 WeakPolarHBondContact CE2-OD1 3.31Å; Y692-N713 VanDerWaalsContact OH-CG 3.29Å; Y692-N713 PolarHBondContact OH-ND2 2.82Å; Y692-N713 PolarHBondContact OH-OD1 3.06Å; Y692-F733 HydrophobicContact CD1-CE1 4.5Å; Y692-F733 HydrophobicContact CG-CE1 4.44Å |
| 693 | E | 79.5 | Confident | 70 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 97.6 | 176.2 | -173.5 | 169.4 | 114.7 | 0 | 0 | 111.1 | K708 K710 F733 N734 | E693-K708 HydrophobicContact CG-CD 4.37Å; E693-K708 HydrophobicContact CG-CG 4.22Å; E693-K708 WeakPolarHBondContact OE1-CE 3.45Å; E693-K708 IonicContact OE1-NZ 3.03Å; E693-K708 PolarHBondContact OE1-NZ 3.37Å; E693-K708 WeakPolarHBondContact OE2-CE 3.42Å; E693-K708 IonicContact OE2-NZ 3.13Å; E693-K708 PolarHBondContact OE2-NZ 3.35Å; E693-K710 WeakPolarHBondContact OE2-CE 3.44Å; E693-K710 IonicContact OE2-NZ 3.04Å; E693-F733 WeakPolarHBondContact O-CA 3.41Å; E693-N734 HydrophobicContact CB-CB 4.33Å; E693-N734 HydrophobicContact CG-CB 4.16Å; E693-N734 PolarHBondContact O-N 2.89Å; E693-N734 PolarHBondContact OE1-ND2 3.4Å |
| 694 | L | 86.1 | Confident | 70.2 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 121.4 | -179.6 | -179.4 | 72.9 | 0 | 0 | 0 | 110.4 | P653 A665 K708 Y709 Q718 I720 T731 F733 | P653-L694 HydrophobicContact CB-CD1 3.81Å; P653-L694 HydrophobicContact CG-CD1 3.59Å; A665-L694 HydrophobicContact CB-CD2 4.12Å; L694-K708 WeakPolarHBondContact O-CA 3.21Å; L694-Y709 HydrophobicContact CD2-CD2 4.34Å; L694-Y709 PolarHBondContact N-O 3.2Å; L694-Y709 PolarHBondContact O-N 2.77Å; L694-Q718 HydrophobicContact CD2-CB 4.1Å; L694-Q718 HydrophobicContact CD2-CG 4.06Å; L694-I720 HydrophobicContact CD2-CD1 4.39Å; L694-T731 WeakPolarHBondContact CD1-OG1 3.37Å; L694-F733 HydrophobicContact CB-CD1 4.2Å; L694-F733 HydrophobicContact CB-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CD1 4.28Å; L694-F733 HydrophobicContact CD1-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CZ 4.09Å; L694-F733 HydrophobicContact CG-CE1 4.49Å |
| 695 | M | 86 | Confident | 70.3 | Confident | 16 Ų | 16 | 60.1 Ų | 60.1 | 8% | 0.079 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 137.4 | 179.9 | -65.1 | -66.6 | -69.5 | 0 | 0 | 110.9 | W697 V705 K708 T731 Y732 N734 | M695-W697 HydrophobicContact CE-CZ2 4.04Å; M695-V705 HydrophobicContact CE-CG1 3.87Å; M695-V705 HydrophobicContact CE-CG2 4.04Å; M695-K708 HydrophobicContact SD-CB 3.9Å; M695-K708 HydrophobicContact SD-CD 3.84Å; M695-K708 HydrophobicContact SD-CG 3.83Å; M695-T731 CarbonylContact O-C 3.35Å; M695-T731 WeakPolarHBondContact O-CA 3.46Å; M695-T731 VanDerWaalsContact O-CB 3.28Å; M695-T731 WeakPolarHBondContact O-CB 3.4Å; M695-T731 PolarHBondContact O-OG1 3.12Å; M695-Y732 HydrophobicContact CB-CD1 4.46Å; M695-Y732 HydrophobicContact CB-CD2 4.46Å; M695-Y732 HydrophobicContact CB-CE1 4.2Å; M695-Y732 HydrophobicContact CB-CE2 4.16Å; M695-Y732 HydrophobicContact CG-CE2 4.19Å; M695-Y732 PolarHBondContact N-O 2.95Å; M695-Y732 PolarHBondContact O-N 2.85Å; M695-Y732 VanDerWaalsContact O-N 3.11Å; M695-N734 HydrophobicContact CG-CB 3.7Å; M695-N734 HydrophobicContact SD-CB 4.48Å |
| 696 | L | 88.5 | Confident | 70.3 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137.7 | 175.3 | 176.6 | 79.3 | 0 | 0 | 0 | 110 | V705 A706 G707 Y709 I720 L723 Y729 F766 | L696-V705 CarbonylContact O-C 3.54Å; L696-A706 HydrophobicContact CD2-CB 3.9Å; L696-A706 HydrophobicContact CG-CB 4.08Å; L696-A706 PolarHBondContact O-N 2.82Å; L696-G707 PolarHBondContact N-O 2.94Å; L696-G707 PolarHBondContact O-N 2.81Å; L696-G707 VanDerWaalsContact O-N 3.15Å; L696-Y709 HydrophobicContact CB-CE2 4.21Å; L696-Y709 HydrophobicContact CD2-CE2 4.47Å; L696-I720 HydrophobicContact CD1-CD1 4.3Å; L696-I720 HydrophobicContact CD1-CG2 4.32Å; L696-I720 HydrophobicContact CD2-CG2 3.52Å; L696-I720 HydrophobicContact CG-CG2 4.48Å; L696-L723 HydrophobicContact CD2-CD2 3.92Å; L696-Y729 HydrophobicContact CD1-CD1 4.22Å; L696-Y729 HydrophobicContact CD2-CD1 4.44Å; L696-Y729 HydrophobicContact CG-CD1 4.32Å; L696-F766 HydrophobicContact CD1-CE1 3.94Å; L696-F766 HydrophobicContact CD1-CZ 3.85Å |
| 697 | W | 84 | Confident | 70.6 | Confident | 47 Ų | 47 | 57.4 Ų | 57.4 | 18% | 0.178 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 139.1 | -176.6 | -60.5 | 73.9 | 0 | 0 | 0 | 110.8 | M695 A703 V705 Y729 F730 Y732 | M695-W697 HydrophobicContact CE-CZ2 4.04Å; W697-A703 HydrophobicContact CE3-CB 4.1Å; W697-A703 HydrophobicContact CZ3-CB 4.14Å; W697-A703 WeakPolarHBondContact CZ3-O 3.23Å; W697-V705 HydrophobicContact CD2-CG2 4.04Å; W697-V705 HydrophobicContact CE3-CG2 3.96Å; W697-V705 HydrophobicContact CH2-CG2 3.56Å; W697-V705 HydrophobicContact CZ2-CG2 3.62Å; W697-V705 HydrophobicContact CZ3-CG2 3.74Å; W697-Y729 CarbonylContact O-C 3.58Å; W697-Y729 WeakPolarHBondContact O-CA 3.21Å; W697-Y729 WeakPolarHBondContact O-CD1 3.26Å; W697-F730 HydrophobicContact CB-CD1 3.88Å; W697-F730 HydrophobicContact CB-CD2 3.99Å; W697-F730 HydrophobicContact CB-CE1 3.46Å; W697-F730 VanDerWaalsContact CB-CE1 3.46Å; W697-F730 HydrophobicContact CB-CE2 3.59Å; W697-F730 HydrophobicContact CB-CG 4.14Å; W697-F730 HydrophobicContact CB-CZ 3.31Å; W697-F730 AromaticContact CD1-CE2 3.79Å; W697-F730 HydrophobicContact CD2-CE2 4.25Å; W697-F730 HydrophobicContact CD2-CZ 4.12Å; W697-F730 HydrophobicContact CE3-CZ 4.41Å; W697-F730 HydrophobicContact CG-CD2 4.26Å; W697-F730 HydrophobicContact CG-CE1 4.31Å; W697-F730 AromaticContact CG-CE2 3.62Å; W697-F730 HydrophobicContact CG-CE2 3.62Å; W697-F730 AromaticContact CG-CZ 3.65Å; W697-F730 HydrophobicContact CG-CZ 3.65Å; W697-F730 PolarHBondContact N-O 2.96Å; W697-F730 PolarHBondContact O-N 3.16Å; W697-Y732 AromaticContact CD1-CE1 3.61Å; W697-Y732 AromaticContact CE2-CE1 3.86Å; W697-Y732 HydrophobicContact CZ2-CE1 4.39Å; W697-Y732 VanDerWaalsContact CZ2-OH 3.24Å; W697-Y732 WeakPolarHBondContact CZ2-OH 3.45Å; W697-Y732 AromaticContact NE1-CE1 3.09Å; W697-Y732 AromaticContact NE1-CZ 3.53Å; W697-Y732 PolarHBondContact NE1-OH 2.85Å |
| 698 | E | 84.7 | Confident | 71.1 | Confident | 15 Ų | 15 | 61.3 Ų | 61.3 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 131.2 | 172.8 | -168.4 | -179.3 | 168.8 | 0 | 0 | 109.8 | R700 K704 A706 K724 T727 Y729 | E698-R700 HydrophobicContact CG-CG 4.31Å; E698-R700 PolarHBondContact O-N 2.97Å; E698-R700 IonicContact OE1-CZ 2.7Å; E698-R700 IonicContact OE1-NE 2.69Å; E698-R700 PolarHBondContact OE1-NE 2.69Å; E698-R700 IonicContact OE1-NH2 2.79Å; E698-R700 PolarHBondContact OE1-NH2 2.83Å; E698-R700 IonicContact OE2-NE 3.35Å; E698-K704 PolarHBondContact N-O 3.07Å; E698-K704 VanDerWaalsContact N-O 3.15Å; E698-A706 HydrophobicContact CB-CB 4.32Å; E698-K724 VanDerWaalsContact OE1-CD 3.24Å; E698-K724 WeakPolarHBondContact OE1-CD 3.36Å; E698-K724 IonicContact OE1-NZ 2.74Å; E698-K724 PolarHBondContact OE1-NZ 3.3Å; E698-K724 IonicContact OE2-NZ 2.74Å; E698-K724 PolarHBondContact OE2-NZ 3.14Å; E698-T727 HydrophobicContact CG-CG2 3.81Å; E698-T727 WeakPolarHBondContact OE1-CG2 3.39Å; E698-Y729 HydrophobicContact CB-CD1 4.09Å; E698-Y729 HydrophobicContact CB-CE1 3.79Å; E698-Y729 HydrophobicContact CG-CD1 4.32Å; E698-Y729 HydrophobicContact CG-CE1 3.84Å |
| 699 | R | 75.6 | Confident | 71.6 | Confident | 164 Ų | 164 | 59.7 Ų | 59.7 | 62% | 0.619 | 30% | 0.297 | S | S | * | . | trans | -78.6 | 68.1 | -172.1 | -166.2 | 176.4 | 178.1 | 151.2 | -1.4 | 112.3 | D728 | R699-D728 HydrophobicContact CB-CB 3.88Å; R699-D728 WeakPolarHBondContact CB-O 3.33Å; R699-D728 PolarHBondContact N-O 3.38Å | ||
| 700 | R | 64.5 | Low | 72 | Confident | 146 Ų | 146 | 62.6 Ų | 62.6 | 55% | 0.551 | 31% | 0.309 | S | S | * | . | S | Bend | trans | -118 | 167.6 | 171.2 | -60.7 | -169.8 | -168.2 | -138.6 | -3 | 111 | E698 D702 A703 | E698-R700 HydrophobicContact CG-CG 4.31Å; E698-R700 PolarHBondContact O-N 2.97Å; E698-R700 IonicContact OE1-CZ 2.7Å; E698-R700 IonicContact OE1-NE 2.69Å; E698-R700 PolarHBondContact OE1-NE 2.69Å; E698-R700 IonicContact OE1-NH2 2.79Å; E698-R700 PolarHBondContact OE1-NH2 2.83Å; E698-R700 IonicContact OE2-NE 3.35Å; R700-D702 PolarHBondContact O-N 3.38Å; R700-A703 PolarHBondContact O-N 3.06Å; R700-A703 VanDerWaalsContact O-N 3.12Å |
| 701 | V | 57.2 | Low | 71.9 | Confident | 145 Ų | 145 | 62.4 Ų | 62.4 | 88% | 0.879 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.7 | -40.2 | -178.4 | -178 | 0 | 0 | 0 | 0 | 112.4 | A703 | V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 2.81Å |
| 702 | D | 58.3 | Low | 71.8 | Confident | 139 Ų | 139 | 63.7 Ų | 63.7 | 74% | 0.743 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | 10.9 | -173.3 | -37.8 | -69 | 0 | 0 | 0 | 113.9 | R700 K704 | R700-D702 PolarHBondContact O-N 3.38Å; D702-K704 PolarHBondContact O-N 3.42Å; D702-K704 VanDerWaalsContact O-N 3.14Å |
| 703 | A | 55.9 | Low | 71.1 | Confident | 47 Ų | 47 | 64.5 Ų | 64.5 | 39% | 0.388 | 32% | 0.322 | S | S | . | . | trans | 37.8 | 58.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | W697 R700 V701 V705 | W697-A703 HydrophobicContact CE3-CB 4.1Å; W697-A703 HydrophobicContact CZ3-CB 4.14Å; W697-A703 WeakPolarHBondContact CZ3-O 3.23Å; R700-A703 PolarHBondContact O-N 3.06Å; R700-A703 VanDerWaalsContact O-N 3.12Å; V701-A703 VanDerWaalsContact C-N 3.3Å; V701-A703 PolarHBondContact O-N 2.81Å; A703-V705 PolarHBondContact O-N 2.82Å | ||
| 704 | K | 59.9 | Low | 70.5 | Confident | 160 Ų | 160 | 69 Ų | 69 | 70% | 0.696 | 35% | 0.354 | S | S | * | . | trans | -77.4 | 123.6 | -177.2 | -167.3 | 167.2 | -176.3 | 172.5 | 0 | 110.6 | E698 D702 A706 | E698-K704 PolarHBondContact N-O 3.07Å; E698-K704 VanDerWaalsContact N-O 3.15Å; D702-K704 PolarHBondContact O-N 3.42Å; D702-K704 VanDerWaalsContact O-N 3.14Å; K704-A706 PolarHBondContact O-N 3.34Å | ||
| 705 | V | 61.2 | Low | 69.5 | Low | 63 Ų | 63 | 74 Ų | 74 | 38% | 0.382 | 38% | 0.378 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.4 | 113.7 | 165.5 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | M695 L696 W697 A703 | M695-V705 HydrophobicContact CE-CG1 3.87Å; M695-V705 HydrophobicContact CE-CG2 4.04Å; L696-V705 CarbonylContact O-C 3.54Å; W697-V705 HydrophobicContact CD2-CG2 4.04Å; W697-V705 HydrophobicContact CE3-CG2 3.96Å; W697-V705 HydrophobicContact CH2-CG2 3.56Å; W697-V705 HydrophobicContact CZ2-CG2 3.62Å; W697-V705 HydrophobicContact CZ3-CG2 3.74Å; A703-V705 PolarHBondContact O-N 2.82Å |
| 706 | A | 63.5 | Low | 69.1 | Low | 47 Ų | 47 | 75.1 Ų | 75.1 | 39% | 0.388 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93 | -18.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L696 E698 K704 Y729 | L696-A706 HydrophobicContact CD2-CB 3.9Å; L696-A706 HydrophobicContact CG-CB 4.08Å; L696-A706 PolarHBondContact O-N 2.82Å; E698-A706 HydrophobicContact CB-CB 4.32Å; K704-A706 PolarHBondContact O-N 3.34Å; A706-Y729 HydrophobicContact CB-CD1 4.36Å; A706-Y729 HydrophobicContact CB-CE1 4Å |
| 707 | G | 69.3 | Low | 69 | Low | 13 Ų | 13 | 79.8 Ų | 79.8 | 13% | 0.134 | 41% | 0.409 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.8 | 157.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | L696 | L696-G707 PolarHBondContact N-O 2.94Å; L696-G707 PolarHBondContact O-N 2.81Å; L696-G707 VanDerWaalsContact O-N 3.15Å |
| 708 | K | 75.6 | Confident | 69.2 | Low | 112 Ų | 112 | 79.6 Ų | 79.6 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 116.3 | 172.1 | 168 | 169.2 | 164.9 | 147.4 | 0 | 107.6 | E693 L694 M695 | E693-K708 HydrophobicContact CG-CD 4.37Å; E693-K708 HydrophobicContact CG-CG 4.22Å; E693-K708 WeakPolarHBondContact OE1-CE 3.45Å; E693-K708 IonicContact OE1-NZ 3.03Å; E693-K708 PolarHBondContact OE1-NZ 3.37Å; E693-K708 WeakPolarHBondContact OE2-CE 3.42Å; E693-K708 IonicContact OE2-NZ 3.13Å; E693-K708 PolarHBondContact OE2-NZ 3.35Å; L694-K708 WeakPolarHBondContact O-CA 3.21Å; M695-K708 HydrophobicContact SD-CB 3.9Å; M695-K708 HydrophobicContact SD-CD 3.84Å; M695-K708 HydrophobicContact SD-CG 3.83Å |
| 709 | Y | 76.1 | Confident | 69.4 | Low | 48 Ų | 48 | 83 Ų | 83 | 19% | 0.188 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 128.4 | -174.7 | -53 | -94.8 | 0 | 0 | 0 | 108.8 | L694 L696 Q718 I720 | L694-Y709 HydrophobicContact CD2-CD2 4.34Å; L694-Y709 PolarHBondContact N-O 3.2Å; L694-Y709 PolarHBondContact O-N 2.77Å; L696-Y709 HydrophobicContact CB-CE2 4.21Å; L696-Y709 HydrophobicContact CD2-CE2 4.47Å; Y709-Q718 HydrophobicContact CD1-CG 3.99Å; Y709-Q718 HydrophobicContact CG-CG 3.97Å; Y709-I720 HydrophobicContact CE2-CG1 4.28Å; Y709-I720 HydrophobicContact CE2-CG2 4.41Å |
| 710 | K | 73.7 | Confident | 70 | Confident | 117 Ų | 117 | 75.2 Ų | 75.2 | 51% | 0.509 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.3 | 172.5 | -71.7 | -163.8 | 175.6 | -163.8 | 0 | 109.2 | Y692 E693 Y737 | Y692-K710 WeakPolarHBondContact O-CA 3.29Å; E693-K710 WeakPolarHBondContact OE2-CE 3.44Å; E693-K710 IonicContact OE2-NZ 3.04Å; K710-Y737 PolarHBondContact NZ-OH 2.98Å |
| 711 | C | 66.3 | Low | 71.1 | Confident | 0 Ų | 0 | 74.2 Ų | 74.2 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 128.1 | -172.3 | -47.5 | 0 | 0 | 0 | 0 | 108.8 | W667 Y692 | W667-C711 HydrophobicContact CH2-CB 3.65Å; W667-C711 VanDerWaalsContact CH2-SG 3.58Å; W667-C711 HydrophobicContact CZ2-CB 3.45Å; W667-C711 VanDerWaalsContact CZ2-CB 3.45Å; Y692-C711 PolarHBondContact N-O 3.29Å; Y692-C711 PolarHBondContact O-N 2.92Å |
| 712 | S | 65.8 | Low | 72.2 | Confident | 48 Ų | 48 | 70.7 Ų | 70.7 | 34% | 0.336 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 157.6 | 171.4 | 47.9 | 0 | 0 | 0 | 0 | 110.6 | S714 Q715 | S712-S714 PolarHBondContact O-N 3.01Å; S712-S714 PolarHBondContact OG-OG 3.33Å; S712-Q715 PolarHBondContact O-N 3.2Å |
| 713 | N | 62.5 | Low | 73.6 | Confident | 17 Ų | 17 | 64.3 Ų | 64.3 | 9% | 0.091 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | -8.8 | 179.8 | -146.9 | 7.9 | 0 | 0 | 0 | 114.5 | P669 A687 F690 Y692 Q715 | P669-N713 WeakPolarHBondContact CB-OD1 3.38Å; A687-N713 WeakPolarHBondContact O-CB 2.99Å; A687-N713 PolarHBondContact O-ND2 2.85Å; F690-N713 PolarHBondContact O-N 2.99Å; Y692-N713 HydrophobicContact CE2-CB 3.9Å; Y692-N713 VanDerWaalsContact CE2-OD1 3.25Å; Y692-N713 WeakPolarHBondContact CE2-OD1 3.31Å; Y692-N713 VanDerWaalsContact OH-CG 3.29Å; Y692-N713 PolarHBondContact OH-ND2 2.82Å; Y692-N713 PolarHBondContact OH-OD1 3.06Å; N713-Q715 VanDerWaalsContact C-N 3.28Å |
| 714 | S | 65.8 | Low | 74.8 | Confident | 102 Ų | 102 | 66.2 Ų | 66.2 | 71% | 0.713 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.2 | -9.7 | 166.9 | 53.7 | 0 | 0 | 0 | 0 | 114.8 | S712 | S712-S714 PolarHBondContact O-N 3.01Å; S712-S714 PolarHBondContact OG-OG 3.33Å |
| 715 | Q | 64.7 | Low | 76 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 49% | 0.491 | 32% | 0.321 | S | S | . | . | trans | -128.1 | 89.1 | -178.2 | -68.7 | -179.6 | -30.1 | 0 | 0 | 109.2 | W667 S712 N713 E717 | W667-Q715 WeakPolarHBondContact CH2-O 3.47Å; W667-Q715 WeakPolarHBondContact CZ2-O 3.36Å; S712-Q715 PolarHBondContact O-N 3.2Å; N713-Q715 VanDerWaalsContact C-N 3.28Å; Q715-E717 PolarHBondContact O-N 2.8Å | ||
| 716 | C | 78.3 | Confident | 77.1 | Confident | 40 Ų | 40 | 57.5 Ų | 57.5 | 27% | 0.27 | 31% | 0.314 | S | S | . | . | trans | -84.9 | 13.5 | 177.8 | -67 | 0 | 0 | 0 | 0 | 113.7 | K666 W667 | K666-C716 WeakPolarHBondContact CA-O 3.3Å; W667-C716 PolarHBondContact N-O 2.91Å | ||
| 717 | E | 87 | Confident | 78 | Confident | 100 Ų | 100 | 56.3 Ų | 56.3 | 47% | 0.467 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 146 | 176.4 | 60.2 | 178.4 | -155.8 | 0 | 0 | 111.5 | L664 A665 K666 Q715 | L664-E717 HydrophobicContact CD1-CB 4.34Å; A665-E717 CarbonylContact O-C 3.5Å; A665-E717 VanDerWaalsContact O-CA 3.3Å; A665-E717 WeakPolarHBondContact O-CA 3.34Å; K666-E717 HydrophobicContact CB-CB 4.44Å; K666-E717 HydrophobicContact CD-CB 4.17Å; K666-E717 VanDerWaalsContact CE-OE2 3.25Å; K666-E717 WeakPolarHBondContact CE-OE2 3.08Å; K666-E717 HydrophobicContact CG-CB 3.84Å; K666-E717 IonicContact NZ-OE2 2.9Å; K666-E717 PolarHBondContact NZ-OE2 2.81Å; Q715-E717 PolarHBondContact O-N 2.8Å |
| 718 | Q | 86.5 | Confident | 78.9 | Confident | 44 Ų | 44 | 58.2 Ų | 58.2 | 21% | 0.206 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 121.2 | -176.8 | 178.5 | 61.9 | 68.2 | 0 | 0 | 110.2 | A665 W667 L694 Y709 | A665-Q718 PolarHBondContact N-O 2.87Å; A665-Q718 PolarHBondContact O-N 2.95Å; W667-Q718 HydrophobicContact CH2-CB 3.94Å; W667-Q718 HydrophobicContact CZ3-CB 3.8Å; L694-Q718 HydrophobicContact CD2-CB 4.1Å; L694-Q718 HydrophobicContact CD2-CG 4.06Å; Y709-Q718 HydrophobicContact CD1-CG 3.99Å; Y709-Q718 HydrophobicContact CG-CG 3.97Å |
| 719 | W | 89.7 | Confident | 79.5 | Confident | 87 Ų | 87 | 53.2 Ų | 53.2 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.3 | 137.1 | 167.7 | -81.4 | 95.3 | 0 | 0 | 0 | 111.1 | E657 E662 L664 F721 | E657-W719 HydrophobicContact CB-CH2 4.44Å; E662-W719 HydrophobicContact CG-CZ3 4.18Å; L664-W719 HydrophobicContact CB-CD2 4.12Å; L664-W719 HydrophobicContact CB-CE3 4.02Å; L664-W719 HydrophobicContact CB-CH2 4.04Å; L664-W719 HydrophobicContact CB-CZ2 4.14Å; L664-W719 HydrophobicContact CB-CZ3 3.98Å; L664-W719 HydrophobicContact CD1-CD2 4.03Å; L664-W719 HydrophobicContact CD1-CG 4.01Å; L664-W719 HydrophobicContact CD2-CH2 4.33Å; L664-W719 HydrophobicContact CD2-CZ2 3.77Å; L664-W719 HydrophobicContact CG-CZ2 4.37Å; W719-F721 HydrophobicContact CB-CD2 4.14Å; W719-F721 HydrophobicContact CB-CE1 4.32Å; W719-F721 HydrophobicContact CB-CE2 3.4Å; W719-F721 HydrophobicContact CB-CZ 3.51Å; W719-F721 HydrophobicContact CD2-CE1 4.4Å; W719-F721 HydrophobicContact CD2-CZ 4.06Å; W719-F721 HydrophobicContact CE3-CE1 4.06Å; W719-F721 HydrophobicContact CE3-CZ 4.18Å; W719-F721 HydrophobicContact CG-CE2 4.18Å; W719-F721 AromaticContact CG-CZ 3.81Å; W719-F721 HydrophobicContact CG-CZ 3.81Å |
| 720 | I | 87.6 | Confident | 80.1 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 101.1 | -177.5 | -60.1 | -178.8 | 0 | 0 | 0 | 107.4 | E662 A663 A665 L694 L696 Y709 L723 | E662-I720 CarbonylContact C-O 3.52Å; E662-I720 WeakPolarHBondContact CA-O 3.48Å; A663-I720 PolarHBondContact N-O 2.85Å; A663-I720 PolarHBondContact O-N 2.88Å; A665-I720 HydrophobicContact CB-CD1 4.05Å; L694-I720 HydrophobicContact CD2-CD1 4.39Å; L696-I720 HydrophobicContact CD1-CD1 4.3Å; L696-I720 HydrophobicContact CD1-CG2 4.32Å; L696-I720 HydrophobicContact CD2-CG2 3.52Å; L696-I720 HydrophobicContact CG-CG2 4.48Å; Y709-I720 HydrophobicContact CE2-CG1 4.28Å; Y709-I720 HydrophobicContact CE2-CG2 4.41Å; I720-L723 HydrophobicContact CG2-CD2 3.85Å; I720-L723 HydrophobicContact CG2-CG 4.36Å |
| 721 | F | 87.4 | Confident | 80.8 | Confident | 125 Ų | 125 | 47.6 Ų | 47.6 | 55% | 0.548 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 163.6 | -178.7 | -59.6 | -71.3 | 0 | 0 | 0 | 112.5 | E662 W719 | E662-F721 HydrophobicContact CB-CD1 3.78Å; E662-F721 HydrophobicContact CB-CE1 4.2Å; W719-F721 HydrophobicContact CB-CD2 4.14Å; W719-F721 HydrophobicContact CB-CE1 4.32Å; W719-F721 HydrophobicContact CB-CE2 3.4Å; W719-F721 HydrophobicContact CB-CZ 3.51Å; W719-F721 HydrophobicContact CD2-CE1 4.4Å; W719-F721 HydrophobicContact CD2-CZ 4.06Å; W719-F721 HydrophobicContact CE3-CE1 4.06Å; W719-F721 HydrophobicContact CE3-CZ 4.18Å; W719-F721 HydrophobicContact CG-CE2 4.18Å; W719-F721 AromaticContact CG-CZ 3.81Å; W719-F721 HydrophobicContact CG-CZ 3.81Å |
| 722 | G | 81.5 | Confident | 81.8 | Confident | 70 Ų | 70 | 49.4 Ų | 49.4 | 72% | 0.722 | 27% | 0.271 | S | S | * | . | trans | 87.2 | 13.6 | 174 | 0 | 0 | 0 | 0 | 0 | 114.7 | R661 | R661-G722 PolarHBondContact O-N 3Š| ||
| 723 | L | 86.5 | Confident | 82.6 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -66.9 | 153.7 | 177.7 | -52.8 | 178.3 | 0 | 0 | 0 | 111.5 | R661 A663 L696 I720 Y729 F766 T768 | R661-L723 VanDerWaalsContact CA-O 3.31Å; R661-L723 WeakPolarHBondContact CA-O 3.41Å; R661-L723 WeakPolarHBondContact CB-O 3.4Å; R661-L723 WeakPolarHBondContact CG-O 3.45Å; R661-L723 PolarHBondContact O-N 2.91Å; A663-L723 HydrophobicContact CB-CD1 3.98Å; L696-L723 HydrophobicContact CD2-CD2 3.92Å; I720-L723 HydrophobicContact CG2-CD2 3.85Å; I720-L723 HydrophobicContact CG2-CG 4.36Å; L723-Y729 HydrophobicContact CB-CE2 3.88Å; L723-Y729 HydrophobicContact CD2-CD1 4.08Å; L723-Y729 HydrophobicContact CD2-CD2 4.2Å; L723-Y729 HydrophobicContact CD2-CE1 3.79Å; L723-Y729 HydrophobicContact CD2-CE2 3.91Å; L723-Y729 HydrophobicContact CD2-CG 4.28Å; L723-Y729 HydrophobicContact CG-CE2 4.35Å; L723-F766 HydrophobicContact CD1-CE2 3.64Å; L723-F766 HydrophobicContact CD1-CZ 4.17Å; L723-T768 HydrophobicContact CB-CG2 3.8Å; L723-T768 HydrophobicContact CD1-CG2 3.73Å; L723-T768 HydrophobicContact CG-CG2 4.45Å |
| 724 | K | 82 | Confident | 83 | Confident | 87 Ų | 87 | 49.4 Ų | 49.4 | 38% | 0.378 | 27% | 0.267 | S | S | . | . | P | Polyproline II helix | trans | -80 | 145.3 | 173.2 | -69 | 159 | 178.9 | 168.2 | 0 | 110.2 | E698 T727 Y729 T768 | E698-K724 VanDerWaalsContact OE1-CD 3.24Å; E698-K724 WeakPolarHBondContact OE1-CD 3.36Å; E698-K724 IonicContact OE1-NZ 2.74Å; E698-K724 PolarHBondContact OE1-NZ 3.3Å; E698-K724 IonicContact OE2-NZ 2.74Å; E698-K724 PolarHBondContact OE2-NZ 3.14Å; K724-T727 HydrophobicContact CB-CG2 4.25Å; K724-T727 VanDerWaalsContact CB-OG1 3.31Å; K724-T727 WeakPolarHBondContact CB-OG1 3.18Å; K724-Y729 PolarHBondContact N-OH 2.98Å; K724-T768 WeakPolarHBondContact O-CB 3.26Å; K724-T768 PolarHBondContact O-OG1 3.42Å |
| 725 | P | 84.3 | Confident | 82.8 | Confident | 13 Ų | 13 | 46.6 Ų | 46.6 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | 153.1 | 169.7 | -22.5 | 34 | 0 | 0 | 0 | 112.6 | I660 R661 T727 T768 K769 T771 N799 | I660-P725 HydrophobicContact CG2-CB 4.13Å; I660-P725 HydrophobicContact CG2-CG 4.02Å; I660-P725 WeakPolarHBondContact O-CA 3.39Å; R661-P725 HydrophobicContact CG-CG 4.43Å; P725-T727 PolarHBondContact O-N 3.41Å; P725-T727 PolarHBondContact O-OG1 2.96Å; P725-T768 VanDerWaalsContact C-OG1 3.31Å; P725-K769 WeakPolarHBondContact CA-O 3.31Å; P725-T771 HydrophobicContact CB-CG2 4.09Å; P725-T771 HydrophobicContact CG-CG2 3.93Å; P725-N799 HydrophobicContact CB-CB 4.25Å; P725-N799 HydrophobicContact CG-CB 4.48Å |
| 726 | A | 84.1 | Confident | 82.5 | Confident | 27 Ų | 27 | 42.2 Ų | 42.2 | 22% | 0.223 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 47.4 | 30.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 116.1 | T768 K769 A770 | A726-T768 WeakPolarHBondContact CA-O 3.35Å; A726-T768 PolarHBondContact N-OG1 3.07Å; A726-K769 PolarHBondContact N-O 2.83Å; A726-A770 HydrophobicContact CB-CB 4.27Å |
| 727 | T | 83 | Confident | 81.6 | Confident | 22 Ų | 22 | 43.2 Ų | 43.2 | 14% | 0.135 | 23% | 0.226 | C | C | . | . | trans | -116.9 | 142.7 | -170.1 | -62.6 | 0 | 0 | 0 | 0 | 111 | E698 K724 P725 Y729 R767 T768 | E698-T727 HydrophobicContact CG-CG2 3.81Å; E698-T727 WeakPolarHBondContact OE1-CG2 3.39Å; K724-T727 HydrophobicContact CB-CG2 4.25Å; K724-T727 VanDerWaalsContact CB-OG1 3.31Å; K724-T727 WeakPolarHBondContact CB-OG1 3.18Å; P725-T727 PolarHBondContact O-N 3.41Å; P725-T727 PolarHBondContact O-OG1 2.96Å; T727-Y729 HydrophobicContact CG2-CD2 4.18Å; T727-Y729 HydrophobicContact CG2-CE2 3.55Å; T727-R767 WeakPolarHBondContact O-CA 3.39Å; T727-T768 PolarHBondContact N-OG1 3.42Å; T727-T768 PolarHBondContact O-N 2.86Å; T727-T768 VanDerWaalsContact O-N 3.12Å; T727-T768 PolarHBondContact O-OG1 3.23Å | ||
| 728 | D | 88.2 | Confident | 80 | Confident | 53 Ų | 53 | 38.9 Ų | 38.9 | 28% | 0.283 | 21% | 0.206 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 135.8 | 179.2 | -57.9 | -68.4 | 0 | 0 | 0 | 111.9 | R699 R767 | R699-D728 HydrophobicContact CB-CB 3.88Å; R699-D728 WeakPolarHBondContact CB-O 3.33Å; R699-D728 PolarHBondContact N-O 3.38Å; D728-R767 WeakPolarHBondContact OD1-CB 3.47Å; D728-R767 IonicContact OD1-CZ 3.69Å; D728-R767 IonicContact OD1-NE 2.71Å; D728-R767 PolarHBondContact OD1-NE 2.96Å; D728-R767 IonicContact OD1-NH2 3.12Å; D728-R767 PolarHBondContact OD1-NH2 3Å; D728-R767 IonicContact OD2-CZ 3.14Å; D728-R767 IonicContact OD2-NE 2.77Å; D728-R767 IonicContact OD2-NH2 2.64Å; D728-R767 PolarHBondContact OD2-NH2 3.41Å |
| 729 | Y | 88.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.027 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 161 | -177.7 | -72.2 | -87.4 | 0 | 0 | 0 | 111.5 | L696 W697 E698 A706 L723 K724 T727 S765 F766 T768 | L696-Y729 HydrophobicContact CD1-CD1 4.22Å; L696-Y729 HydrophobicContact CD2-CD1 4.44Å; L696-Y729 HydrophobicContact CG-CD1 4.32Å; W697-Y729 CarbonylContact O-C 3.58Å; W697-Y729 WeakPolarHBondContact O-CA 3.21Å; W697-Y729 WeakPolarHBondContact O-CD1 3.26Å; E698-Y729 HydrophobicContact CB-CD1 4.09Å; E698-Y729 HydrophobicContact CB-CE1 3.79Å; E698-Y729 HydrophobicContact CG-CD1 4.32Å; E698-Y729 HydrophobicContact CG-CE1 3.84Å; A706-Y729 HydrophobicContact CB-CD1 4.36Å; A706-Y729 HydrophobicContact CB-CE1 4Å; L723-Y729 HydrophobicContact CB-CE2 3.88Å; L723-Y729 HydrophobicContact CD2-CD1 4.08Å; L723-Y729 HydrophobicContact CD2-CD2 4.2Å; L723-Y729 HydrophobicContact CD2-CE1 3.79Å; L723-Y729 HydrophobicContact CD2-CE2 3.91Å; L723-Y729 HydrophobicContact CD2-CG 4.28Å; L723-Y729 HydrophobicContact CG-CE2 4.35Å; K724-Y729 PolarHBondContact N-OH 2.98Å; T727-Y729 HydrophobicContact CG2-CD2 4.18Å; T727-Y729 HydrophobicContact CG2-CE2 3.55Å; Y729-S765 CarbonylContact O-C 3.53Å; Y729-S765 VanDerWaalsContact O-CA 3.31Å; Y729-S765 WeakPolarHBondContact O-CA 3.39Å; Y729-F766 HydrophobicContact CD2-CE2 4.46Å; Y729-F766 HydrophobicContact CG-CE2 4.49Å; Y729-F766 HydrophobicContact CG-CZ 4.3Å; Y729-F766 PolarHBondContact N-O 2.92Å; Y729-F766 PolarHBondContact O-N 2.81Å; Y729-T768 HydrophobicContact CE2-CG2 4.4Å |
| 730 | F | 89.1 | Confident | 75.9 | Confident | 47 Ų | 47 | 43.8 Ų | 43.8 | 21% | 0.206 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 156.2 | 168.3 | 67.9 | -88.6 | 0 | 0 | 0 | 113.3 | W697 Y732 P763 V764 | W697-F730 HydrophobicContact CB-CD1 3.88Å; W697-F730 HydrophobicContact CB-CD2 3.99Å; W697-F730 HydrophobicContact CB-CE1 3.46Å; W697-F730 VanDerWaalsContact CB-CE1 3.46Å; W697-F730 HydrophobicContact CB-CE2 3.59Å; W697-F730 HydrophobicContact CB-CG 4.14Å; W697-F730 HydrophobicContact CB-CZ 3.31Å; W697-F730 AromaticContact CD1-CE2 3.79Å; W697-F730 HydrophobicContact CD2-CE2 4.25Å; W697-F730 HydrophobicContact CD2-CZ 4.12Å; W697-F730 HydrophobicContact CE3-CZ 4.41Å; W697-F730 HydrophobicContact CG-CD2 4.26Å; W697-F730 HydrophobicContact CG-CE1 4.31Å; W697-F730 AromaticContact CG-CE2 3.62Å; W697-F730 HydrophobicContact CG-CE2 3.62Å; W697-F730 AromaticContact CG-CZ 3.65Å; W697-F730 HydrophobicContact CG-CZ 3.65Å; W697-F730 PolarHBondContact N-O 2.96Å; W697-F730 PolarHBondContact O-N 3.16Å; F730-Y732 HydrophobicContact CD2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CE1 4.31Å; F730-P763 HydrophobicContact CD2-CB 3.86Å; F730-V764 CarbonylContact C-O 3.6Å; F730-V764 WeakPolarHBondContact CA-O 3.33Å |
| 731 | T | 88.2 | Confident | 74 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.1 | 147.9 | -173.5 | -172.3 | 0 | 0 | 0 | 0 | 114.5 | P653 V655 L694 M695 P763 V764 F766 | P653-T731 HydrophobicContact CG-CG2 4.15Å; V655-T731 HydrophobicContact CG2-CG2 3.83Å; L694-T731 WeakPolarHBondContact CD1-OG1 3.37Å; M695-T731 CarbonylContact O-C 3.35Å; M695-T731 WeakPolarHBondContact O-CA 3.46Å; M695-T731 VanDerWaalsContact O-CB 3.28Å; M695-T731 WeakPolarHBondContact O-CB 3.4Å; M695-T731 PolarHBondContact O-OG1 3.12Å; T731-P763 CarbonylContact O-C 3.5Å; T731-P763 WeakPolarHBondContact O-CA 3.32Å; T731-V764 PolarHBondContact N-O 3.3Å; T731-V764 PolarHBondContact O-N 2.89Å; T731-F766 HydrophobicContact CG2-CE1 4.34Å |
| 732 | Y | 86.3 | Confident | 72 | Confident | 38 Ų | 38 | 47.6 Ų | 47.6 | 15% | 0.149 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 171.3 | -177 | 66.9 | -94 | 0 | 0 | 0 | 112.5 | M695 W697 F730 L760 T761 P763 | M695-Y732 HydrophobicContact CB-CD1 4.46Å; M695-Y732 HydrophobicContact CB-CD2 4.46Å; M695-Y732 HydrophobicContact CB-CE1 4.2Å; M695-Y732 HydrophobicContact CB-CE2 4.16Å; M695-Y732 HydrophobicContact CG-CE2 4.19Å; M695-Y732 PolarHBondContact N-O 2.95Å; M695-Y732 PolarHBondContact O-N 2.85Å; M695-Y732 VanDerWaalsContact O-N 3.11Å; W697-Y732 AromaticContact CD1-CE1 3.61Å; W697-Y732 AromaticContact CE2-CE1 3.86Å; W697-Y732 HydrophobicContact CZ2-CE1 4.39Å; W697-Y732 VanDerWaalsContact CZ2-OH 3.24Å; W697-Y732 WeakPolarHBondContact CZ2-OH 3.45Å; W697-Y732 AromaticContact NE1-CE1 3.09Å; W697-Y732 AromaticContact NE1-CZ 3.53Å; W697-Y732 PolarHBondContact NE1-OH 2.85Å; F730-Y732 HydrophobicContact CD2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CD1 4.47Å; F730-Y732 HydrophobicContact CE2-CE1 4.31Å; Y732-L760 HydrophobicContact CE2-CD2 4.25Å; Y732-T761 WeakPolarHBondContact CB-O 3.43Å; Y732-P763 HydrophobicContact CD1-CB 4.28Å |
| 733 | F | 84.2 | Confident | 70.3 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 137.5 | 173.8 | -68.9 | -67.3 | 0 | 0 | 0 | 114.1 | I650 Q651 P653 W667 Y692 E693 L694 T761 | I650-F733 HydrophobicContact CG2-CD2 4.1Å; Q651-F733 WeakPolarHBondContact O-CD2 3.26Å; P653-F733 HydrophobicContact CB-CE2 3.88Å; P653-F733 HydrophobicContact CB-CZ 4.09Å; P653-F733 HydrophobicContact CG-CD2 4.49Å; P653-F733 HydrophobicContact CG-CE2 4.15Å; W667-F733 HydrophobicContact CB-CE2 3.88Å; W667-F733 HydrophobicContact CB-CZ 3.9Å; W667-F733 AromaticContact CD1-CZ 3.88Å; W667-F733 HydrophobicContact CD2-CE1 4.3Å; W667-F733 HydrophobicContact CD2-CE2 4.38Å; W667-F733 AromaticContact CD2-CZ 3.5Å; W667-F733 HydrophobicContact CD2-CZ 3.5Å; W667-F733 VanDerWaalsContact CD2-CZ 3.5Å; W667-F733 AromaticContact CE2-CZ 3.9Å; W667-F733 AromaticContact CE3-CZ 3.86Å; W667-F733 HydrophobicContact CE3-CZ 3.86Å; W667-F733 AromaticContact CG-CE2 3.95Å; W667-F733 HydrophobicContact CG-CE2 3.95Å; W667-F733 AromaticContact CG-CZ 3.5Å; W667-F733 HydrophobicContact CG-CZ 3.5Å; Y692-F733 HydrophobicContact CD1-CE1 4.5Å; Y692-F733 HydrophobicContact CG-CE1 4.44Å; E693-F733 WeakPolarHBondContact O-CA 3.41Å; L694-F733 HydrophobicContact CB-CD1 4.2Å; L694-F733 HydrophobicContact CB-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CD1 4.28Å; L694-F733 HydrophobicContact CD1-CE1 3.88Å; L694-F733 HydrophobicContact CD1-CZ 4.09Å; L694-F733 HydrophobicContact CG-CE1 4.49Å; F733-T761 HydrophobicContact CB-CG2 3.99Å; F733-T761 HydrophobicContact CD2-CG2 4.19Å; F733-T761 PolarHBondContact N-OG1 2.97Å |
| 734 | N | 71.1 | Confident | 68.6 | Low | 59 Ų | 59 | 49.8 Ų | 49.8 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | -38.1 | -171 | -165.4 | 47.5 | 0 | 0 | 0 | 115.2 | E693 M695 L760 | E693-N734 HydrophobicContact CB-CB 4.33Å; E693-N734 HydrophobicContact CG-CB 4.16Å; E693-N734 PolarHBondContact O-N 2.89Å; E693-N734 PolarHBondContact OE1-ND2 3.4Å; M695-N734 HydrophobicContact CG-CB 3.7Å; M695-N734 HydrophobicContact SD-CB 4.48Å; N734-L760 WeakPolarHBondContact O-CD2 3.37Å |
| 735 | S | 61.6 | Low | 67.1 | Low | 43 Ų | 43 | 53.4 Ų | 53.4 | 30% | 0.301 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 169.7 | 174.4 | 61.1 | 0 | 0 | 0 | 0 | 111.2 | ||
| 736 | C | 58.3 | Low | 65.3 | Low | 12 Ų | 12 | 58.1 Ų | 58.1 | 8% | 0.081 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 135.7 | 178.3 | -171.9 | 0 | 0 | 0 | 0 | 110.1 | L647 I650 F690 T691 | L647-C736 HydrophobicContact CD2-CB 4.24Å; I650-C736 HydrophobicContact CD1-CB 3.49Å; I650-C736 VanDerWaalsContact CD1-CB 3.49Å; F690-C736 VanDerWaalsContact CD1-SG 3.53Å; T691-C736 WeakPolarHBondContact O-CA 3.46Å |
| 737 | Y | 58.2 | Low | 63.8 | Low | 62 Ų | 62 | 57.7 Ų | 57.7 | 24% | 0.243 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 160.7 | -175.6 | 58.7 | -102.8 | 0 | 0 | 0 | 113.2 | T691 K710 | T691-Y737 HydrophobicContact CG2-CE2 4.23Å; T691-Y737 PolarHBondContact N-O 3.23Å; K710-Y737 PolarHBondContact NZ-OH 2.98Å |
| 738 | L | 54.1 | Low | 62.6 | Low | 9 Ų | 9 | 59.5 Ų | 59.5 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.1 | 148.7 | -176.9 | -64.9 | 167.2 | 0 | 0 | 0 | 113.3 | I685 E689 F690 L747 | I685-L738 HydrophobicContact CD1-CD1 4.3Å; I685-L738 HydrophobicContact CG2-CD2 3.73Å; E689-L738 HydrophobicContact CB-CD2 3.58Å; E689-L738 WeakPolarHBondContact O-CA 3.37Å; F690-L738 HydrophobicContact CD1-CD2 3.82Å; F690-L738 HydrophobicContact CD1-CG 4.34Å; F690-L738 HydrophobicContact CD2-CD2 4.18Å; F690-L738 HydrophobicContact CE1-CD2 3.61Å; F690-L738 HydrophobicContact CE1-CG 4.01Å; F690-L738 HydrophobicContact CE2-CD2 3.97Å; F690-L738 HydrophobicContact CG-CD2 4.12Å; F690-L738 HydrophobicContact CZ-CD2 3.69Å; F690-L738 HydrophobicContact CZ-CG 4.43Å; L738-L747 HydrophobicContact CD1-CD2 3.76Å; L738-L747 HydrophobicContact CD1-CG 4.48Å |
| 739 | W | 47.1 | Very low | 61 | Low | 179 Ų | 179 | 59.3 Ų | 59.3 | 68% | 0.678 | 31% | 0.314 | S | S | * | . | trans | -114.8 | -27.7 | -171.5 | -172.1 | -111.4 | 0 | 0 | 0 | 116.1 | E689 | E689-W739 PolarHBondContact O-N 3.34Š| ||
| 740 | S | 42.6 | Very low | 59.4 | Low | 55 Ų | 55 | 60.5 Ų | 60.5 | 39% | 0.385 | 32% | 0.32 | S | S | . | . | trans | -164.5 | 167.9 | -176.1 | -84.3 | 0 | 0 | 0 | 0 | 109.9 | A744 | S740-A744 VanDerWaalsContact C-CB 3.42Å; S740-A744 VanDerWaalsContact O-CB 3.22Å; S740-A744 WeakPolarHBondContact O-CB 3.46Å | ||
| 741 | L | 48.2 | Very low | 58 | Low | 128 Ų | 128 | 59.5 Ų | 59.5 | 67% | 0.67 | 32% | 0.317 | S | S | * | . | cis | -116.5 | -132.3 | 5.5 | -158.6 | 99.4 | 0 | 0 | 0 | 113 | A744 K745 | L741-A744 PolarHBondContact O-N 3.16Å; L741-K745 PolarHBondContact O-N 2.75Å | ||
| 742 | A | 45.8 | Very low | 56.8 | Low | 77 Ų | 77 | 66.1 Ų | 66.1 | 64% | 0.636 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64 | -41.4 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 743 | T | 45 | Very low | 55.5 | Low | 110 Ų | 110 | 72 Ų | 72 | 68% | 0.675 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -36.9 | 172.4 | 38 | 0 | 0 | 0 | 0 | 112.2 | K745 L746 | T743-K745 VanDerWaalsContact C-N 3.27Å; T743-K745 PolarHBondContact O-N 2.75Å; T743-L746 PolarHBondContact O-N 2.93Å |
| 744 | A | 50.6 | Low | 54.4 | Low | 10 Ų | 10 | 76.3 Ų | 76.3 | 8% | 0.083 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -70.4 | -17.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | S740 L741 L746 L747 K748 | S740-A744 VanDerWaalsContact C-CB 3.42Å; S740-A744 VanDerWaalsContact O-CB 3.22Å; S740-A744 WeakPolarHBondContact O-CB 3.46Å; L741-A744 PolarHBondContact O-N 3.16Å; A744-L746 VanDerWaalsContact C-N 3.3Å; A744-L746 PolarHBondContact O-N 3Å; A744-L747 PolarHBondContact O-N 2.98Å; A744-K748 VanDerWaalsContact O-CB 3.28Å; A744-K748 WeakPolarHBondContact O-CB 3.33Å; A744-K748 PolarHBondContact O-N 3.02Å |
| 745 | K | 50.8 | Low | 53.7 | Low | 163 Ų | 163 | 75.9 Ų | 75.9 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -59.9 | -38.9 | 175.2 | -78 | -171.6 | 175.5 | -176.8 | 0 | 112.7 | L741 T743 A749 | L741-K745 PolarHBondContact O-N 2.75Å; T743-K745 VanDerWaalsContact C-N 3.27Å; T743-K745 PolarHBondContact O-N 2.75Å; K745-A749 WeakPolarHBondContact O-CB 3.16Å; K745-A749 PolarHBondContact O-N 3.48Å |
| 746 | L | 46 | Very low | 53.6 | Low | 113 Ų | 113 | 75.7 Ų | 75.7 | 59% | 0.592 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -68.6 | -44.5 | 177.7 | -154.5 | 86.4 | 0 | 0 | 0 | 110.7 | T743 A744 A749 L750 | T743-L746 PolarHBondContact O-N 2.93Å; A744-L746 VanDerWaalsContact C-N 3.3Å; A744-L746 PolarHBondContact O-N 3Å; L746-A749 PolarHBondContact O-N 2.9Å; L746-L750 WeakPolarHBondContact O-CB 3.41Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.18Å |
| 747 | L | 53.8 | Low | 53.8 | Low | 17 Ų | 17 | 81.4 Ų | 81.4 | 9% | 0.089 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -64.3 | -44.6 | 178.3 | -173 | 62.1 | 0 | 0 | 0 | 111.5 | M635 L643 F682 I685 L738 A744 L750 L751 | M635-L747 HydrophobicContact CE-CD1 3.66Å; M635-L747 HydrophobicContact SD-CD1 4.47Å; L643-L747 HydrophobicContact CD1-CD1 3.92Å; L643-L747 HydrophobicContact CD1-CD2 4.44Å; F682-L747 HydrophobicContact CD1-CD1 4.46Å; F682-L747 HydrophobicContact CE1-CD1 4.24Å; I685-L747 HydrophobicContact CD1-CD2 3.88Å; L738-L747 HydrophobicContact CD1-CD2 3.76Å; L738-L747 HydrophobicContact CD1-CG 4.48Å; A744-L747 PolarHBondContact O-N 2.98Å; L747-L750 PolarHBondContact O-N 2.83Å; L747-L751 HydrophobicContact CG-CD1 4.12Å; L747-L751 WeakPolarHBondContact O-CB 3.33Å; L747-L751 VanDerWaalsContact O-CG 3.23Å; L747-L751 WeakPolarHBondContact O-CG 3.33Å; L747-L751 PolarHBondContact O-N 2.94Å |
| 748 | K | 57 | Low | 54.1 | Low | 61 Ų | 61 | 79.1 Ų | 79.1 | 27% | 0.265 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -62.2 | -44 | 175.8 | -178.9 | 169.2 | -178.3 | 162.7 | 0 | 112.3 | A744 L750 L751 E752 | A744-K748 VanDerWaalsContact O-CB 3.28Å; A744-K748 WeakPolarHBondContact O-CB 3.33Å; A744-K748 PolarHBondContact O-N 3.02Å; K748-L750 VanDerWaalsContact C-N 3.32Å; K748-L750 PolarHBondContact O-N 2.75Å; K748-L751 PolarHBondContact O-N 3.48Å; K748-E752 WeakPolarHBondContact CE-OE1 3.43Å; K748-E752 HydrophobicContact CG-CG 4.44Å; K748-E752 IonicContact NZ-OE1 2.73Å; K748-E752 WeakPolarHBondContact O-CB 3.22Å; K748-E752 WeakPolarHBondContact O-CG 3.36Å; K748-E752 PolarHBondContact O-N 2.85Å |
| 749 | A | 54.1 | Low | 54.8 | Low | 49 Ų | 49 | 84.4 Ų | 84.4 | 41% | 0.405 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.3 | -42.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K745 L746 E752 E753 | K745-A749 WeakPolarHBondContact O-CB 3.16Å; K745-A749 PolarHBondContact O-N 3.48Å; L746-A749 PolarHBondContact O-N 2.9Å; A749-E752 PolarHBondContact O-N 3.48Å; A749-E753 WeakPolarHBondContact O-CB 3.46Å; A749-E753 PolarHBondContact O-N 3.25Å |
| 750 | L | 54.7 | Low | 55.9 | Low | 32 Ų | 32 | 81.2 Ų | 81.2 | 17% | 0.168 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -67 | -35.6 | 176 | -74.7 | 165.7 | 0 | 0 | 0 | 113.3 | M635 L746 L747 K748 R754 | M635-L750 HydrophobicContact CE-CD1 3.71Å; M635-L750 HydrophobicContact SD-CD1 4.32Å; L746-L750 WeakPolarHBondContact O-CB 3.41Å; L746-L750 WeakPolarHBondContact O-CG 3.47Å; L746-L750 PolarHBondContact O-N 3.18Å; L747-L750 PolarHBondContact O-N 2.83Å; K748-L750 VanDerWaalsContact C-N 3.32Å; K748-L750 PolarHBondContact O-N 2.75Å; L750-R754 VanDerWaalsContact O-CB 3.23Å; L750-R754 WeakPolarHBondContact O-CB 3.48Å; L750-R754 WeakPolarHBondContact O-CG 3.49Å; L750-R754 PolarHBondContact O-N 2.69Å |
| 751 | L | 61.5 | Low | 57.8 | Low | 26 Ų | 26 | 79.3 Ų | 79.3 | 14% | 0.136 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -69.1 | -40.2 | 174.7 | -68.8 | 168.2 | 0 | 0 | 0 | 111.7 | L643 L747 K748 G755 L756 | L643-L751 HydrophobicContact CD1-CD2 4.26Å; L643-L751 HydrophobicContact CD2-CD2 3.76Å; L747-L751 HydrophobicContact CG-CD1 4.12Å; L747-L751 WeakPolarHBondContact O-CB 3.33Å; L747-L751 VanDerWaalsContact O-CG 3.23Å; L747-L751 WeakPolarHBondContact O-CG 3.33Å; L747-L751 PolarHBondContact O-N 2.94Å; K748-L751 PolarHBondContact O-N 3.48Å; L751-G755 PolarHBondContact O-N 2.74Å; L751-G755 VanDerWaalsContact O-N 3.08Å; L751-L756 HydrophobicContact CD2-CB 3.71Å; L751-L756 HydrophobicContact CD2-CD1 3.88Å; L751-L756 HydrophobicContact CD2-CG 4.45Å; L751-L756 PolarHBondContact O-N 3.17Å; L751-L756 VanDerWaalsContact O-N 3.09Å |
| 752 | E | 63 | Low | 59.5 | Low | 139 Ų | 139 | 80.4 Ų | 80.4 | 65% | 0.65 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -73.5 | -39.6 | 177 | -71.3 | -179.4 | -175 | 0 | 0 | 112.4 | K748 A749 | K748-E752 WeakPolarHBondContact CE-OE1 3.43Å; K748-E752 HydrophobicContact CG-CG 4.44Å; K748-E752 IonicContact NZ-OE1 2.73Å; K748-E752 WeakPolarHBondContact O-CB 3.22Å; K748-E752 WeakPolarHBondContact O-CG 3.36Å; K748-E752 PolarHBondContact O-N 2.85Å; A749-E752 PolarHBondContact O-N 3.48Å |
| 753 | E | 58.8 | Low | 61.3 | Low | 160 Ų | 160 | 79.8 Ų | 79.8 | 75% | 0.748 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -66.5 | -41.5 | 173.8 | -84.1 | -163.7 | 131.8 | 0 | 0 | 112.9 | A749 | A749-E753 WeakPolarHBondContact O-CB 3.46Å; A749-E753 PolarHBondContact O-N 3.25Å |
| 754 | R | 60.6 | Low | 63.4 | Low | 98 Ų | 98 | 76.7 Ų | 76.7 | 37% | 0.37 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -92.5 | -0.1 | -174.6 | -59.1 | -173.3 | -179.1 | -177.7 | -0.5 | 113.7 | M635 M640 L750 L756 | M635-R754 PolarHBondContact O-NH1 2.83Å; M635-R754 VanDerWaalsContact O-NH1 3.15Å; M640-R754 HydrophobicContact SD-CB 4.43Å; M640-R754 WeakPolarHBondContact SD-CD 3.29Å; M640-R754 PolarHBondContact SD-NH1 3.32Å; M640-R754 VanDerWaalsContact SD-NH1 3.42Å; L750-R754 VanDerWaalsContact O-CB 3.23Å; L750-R754 WeakPolarHBondContact O-CB 3.48Å; L750-R754 WeakPolarHBondContact O-CG 3.49Å; L750-R754 PolarHBondContact O-N 2.69Å; R754-L756 HydrophobicContact CB-CD1 3.75Å; R754-L756 HydrophobicContact CB-CG 3.95Å |
| 755 | G | 57.2 | Low | 65.2 | Low | 50 Ų | 50 | 79.4 Ų | 79.4 | 52% | 0.515 | 42% | 0.419 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 38.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | L751 H757 | L751-G755 PolarHBondContact O-N 2.74Å; L751-G755 VanDerWaalsContact O-N 3.08Å; G755-H757 PolarHBondContact O-CD2 2.69Å |
| 756 | L | 58.1 | Low | 67.1 | Low | 39 Ų | 39 | 72.8 Ų | 72.8 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | trans | -93.8 | 116.5 | -169 | -63.8 | 163.1 | 0 | 0 | 0 | 111.5 | M640 V644 L751 R754 | M640-L756 HydrophobicContact CE-CD2 4.24Å; M640-L756 HydrophobicContact CG-CD1 3.38Å; M640-L756 HydrophobicContact CG-CD2 3.83Å; M640-L756 HydrophobicContact CG-CG 4.27Å; M640-L756 HydrophobicContact SD-CD1 3.86Å; M640-L756 HydrophobicContact SD-CD2 4.2Å; V644-L756 HydrophobicContact CG2-CB 4.18Å; V644-L756 HydrophobicContact CG2-CD2 3.69Å; L751-L756 HydrophobicContact CD2-CB 3.71Å; L751-L756 HydrophobicContact CD2-CD1 3.88Å; L751-L756 HydrophobicContact CD2-CG 4.45Å; L751-L756 PolarHBondContact O-N 3.17Å; L751-L756 VanDerWaalsContact O-N 3.09Å; R754-L756 HydrophobicContact CB-CD1 3.75Å; R754-L756 HydrophobicContact CB-CG 3.95Å | ||
| 757 | H | 62.5 | Low | 69.2 | Low | 132 Ų | 132 | 74.6 Ų | 74.6 | 61% | 0.611 | 39% | 0.389 | S | S | * | . | trans | -142.2 | 152.6 | 179.8 | 56.9 | 71 | 0 | 0 | 0 | 111.1 | G755 | G755-H757 PolarHBondContact O-CD2 2.69Š| ||
| 758 | G | 65 | Low | 70.8 | Confident | 15 Ų | 15 | 74 Ų | 74 | 16% | 0.155 | 39% | 0.386 | C | S | . | . | trans | -78.6 | 178.9 | 172.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S648 | S648-G758 WeakPolarHBondContact OG-CA 3.45Š| ||
| 759 | D | 68.5 | Low | 72.2 | Confident | 119 Ų | 119 | 77.2 Ų | 77.2 | 64% | 0.636 | 40% | 0.4 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 162.4 | 178.3 | -68 | -65.9 | 0 | 0 | 0 | 113.9 | S648 | S648-D759 WeakPolarHBondContact CB-OD2 3.27Å; S648-D759 PolarHBondContact OG-N 3.44Å; S648-D759 PolarHBondContact OG-OD2 2.85Å |
| 760 | L | 70.5 | Confident | 73.8 | Confident | 113 Ų | 113 | 76.8 Ų | 76.8 | 59% | 0.592 | 40% | 0.397 | S | S | * | . | P | Polyproline II helix | trans | -82.9 | 144.1 | 177.1 | -67.4 | 169.9 | 0 | 0 | 0 | 111.7 | Y732 N734 | Y732-L760 HydrophobicContact CE2-CD2 4.25Å; N734-L760 WeakPolarHBondContact O-CD2 3.37Å |
| 761 | T | 82.5 | Confident | 75.4 | Confident | 15 Ų | 15 | 76.5 Ų | 76.5 | 9% | 0.092 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -86.6 | 151.4 | 177.2 | 69.6 | 0 | 0 | 0 | 0 | 113 | I650 Y732 F733 | I650-T761 HydrophobicContact CB-CG2 4.35Å; I650-T761 HydrophobicContact CG2-CG2 4.05Å; Y732-T761 WeakPolarHBondContact CB-O 3.43Å; F733-T761 HydrophobicContact CB-CG2 3.99Å; F733-T761 HydrophobicContact CD2-CG2 4.19Å; F733-T761 PolarHBondContact N-OG1 2.97Å |
| 762 | E | 83.1 | Confident | 76.7 | Confident | 151 Ų | 151 | 80.3 Ų | 80.3 | 71% | 0.706 | 41% | 0.412 | S | S | * | . | P | Polyproline II helix | trans | -54.7 | 141.7 | 173.3 | -72.8 | -70.5 | 171.9 | 0 | 0 | 113.7 | P652 | P652-E762 VanDerWaalsContact CB-O 3.32Å; P652-E762 WeakPolarHBondContact CB-O 3.31Å |
| 763 | P | 84 | Confident | 78 | Confident | 64 Ų | 64 | 74 Ų | 74 | 42% | 0.416 | 38% | 0.383 | S | S | . | . | P | Polyproline II helix | trans | -88.1 | 121.4 | -175.6 | 32.7 | -33.2 | 0 | 0 | 0 | 114.4 | F730 T731 Y732 | F730-P763 HydrophobicContact CD2-CB 3.86Å; T731-P763 CarbonylContact O-C 3.5Å; T731-P763 WeakPolarHBondContact O-CA 3.32Å; Y732-P763 HydrophobicContact CD1-CB 4.28Å |
| 764 | V | 88.2 | Confident | 79.5 | Confident | 45 Ų | 45 | 70.2 Ų | 70.2 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 128.5 | 179.2 | 176.3 | 0 | 0 | 0 | 0 | 110.9 | P652 P653 V655 F730 T731 | P652-V764 HydrophobicContact CB-CG2 4.36Å; P653-V764 WeakPolarHBondContact O-CB 3.49Å; P653-V764 VanDerWaalsContact O-CG2 3.26Å; P653-V764 WeakPolarHBondContact O-CG2 3.26Å; V655-V764 HydrophobicContact CB-CG1 4.5Å; V655-V764 HydrophobicContact CG2-CG1 4.05Å; F730-V764 CarbonylContact C-O 3.6Å; F730-V764 WeakPolarHBondContact CA-O 3.33Å; T731-V764 PolarHBondContact N-O 3.3Å; T731-V764 PolarHBondContact O-N 2.89Å |
| 765 | S | 89.6 | Confident | 80.9 | Confident | 67 Ų | 67 | 69.5 Ų | 69.5 | 47% | 0.469 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 144.2 | -174.2 | -66 | 0 | 0 | 0 | 0 | 113.6 | Y729 | Y729-S765 CarbonylContact O-C 3.53Å; Y729-S765 VanDerWaalsContact O-CA 3.31Å; Y729-S765 WeakPolarHBondContact O-CA 3.39Å |
| 766 | F | 90.3 | Very high | 82.6 | Confident | 23 Ų | 23 | 67.3 Ų | 67.3 | 10% | 0.101 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 166 | 178.2 | 66.2 | -82.3 | 0 | 0 | 0 | 113.2 | V655 V658 A663 L696 L723 Y729 T731 | V655-F766 HydrophobicContact CB-CD1 4.37Å; V655-F766 HydrophobicContact CG1-CB 4.25Å; V655-F766 HydrophobicContact CG1-CD1 4.03Å; V655-F766 HydrophobicContact CG1-CD2 4.28Å; V655-F766 HydrophobicContact CG1-CE1 4.43Å; V655-F766 HydrophobicContact CG1-CG 3.94Å; V655-F766 HydrophobicContact CG2-CD1 3.94Å; V655-F766 HydrophobicContact CG2-CE1 4.21Å; V658-F766 HydrophobicContact CG1-CD2 4.04Å; V658-F766 HydrophobicContact CG2-CB 4.25Å; V658-F766 HydrophobicContact CG2-CD2 3.95Å; V658-F766 HydrophobicContact CG2-CG 4.45Å; A663-F766 HydrophobicContact CB-CD2 4.03Å; A663-F766 HydrophobicContact CB-CE2 3.41Å; A663-F766 VanDerWaalsContact CB-CE2 3.41Å; A663-F766 HydrophobicContact CB-CZ 3.9Å; L696-F766 HydrophobicContact CD1-CE1 3.94Å; L696-F766 HydrophobicContact CD1-CZ 3.85Å; L723-F766 HydrophobicContact CD1-CE2 3.64Å; L723-F766 HydrophobicContact CD1-CZ 4.17Å; Y729-F766 HydrophobicContact CD2-CE2 4.46Å; Y729-F766 HydrophobicContact CG-CE2 4.49Å; Y729-F766 HydrophobicContact CG-CZ 4.3Å; Y729-F766 PolarHBondContact N-O 2.92Å; Y729-F766 PolarHBondContact O-N 2.81Å; T731-F766 HydrophobicContact CG2-CE1 4.34Å |
| 767 | R | 89.6 | Confident | 84.1 | Confident | 151 Ų | 151 | 73.7 Ų | 73.7 | 57% | 0.57 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 133.1 | -177.6 | 173.1 | 178.7 | -88 | -132.9 | -7.1 | 112.4 | V658 T727 D728 | V658-R767 WeakPolarHBondContact CG1-O 3.36Å; T727-R767 WeakPolarHBondContact O-CA 3.39Å; D728-R767 WeakPolarHBondContact OD1-CB 3.47Å; D728-R767 IonicContact OD1-CZ 3.69Å; D728-R767 IonicContact OD1-NE 2.71Å; D728-R767 PolarHBondContact OD1-NE 2.96Å; D728-R767 IonicContact OD1-NH2 3.12Å; D728-R767 PolarHBondContact OD1-NH2 3Å; D728-R767 IonicContact OD2-CZ 3.14Å; D728-R767 IonicContact OD2-NE 2.77Å; D728-R767 IonicContact OD2-NH2 2.64Å; D728-R767 PolarHBondContact OD2-NH2 3.41Å |
| 768 | T | 87.9 | Confident | 85.4 | Confident | 6 Ų | 6 | 69.8 Ų | 69.8 | 4% | 0.037 | 35% | 0.35 | C | S | . | . | P | Polyproline II helix | trans | -78.2 | 160.9 | 176 | 55.1 | 0 | 0 | 0 | 0 | 114 | V658 L723 K724 P725 A726 T727 Y729 | V658-T768 HydrophobicContact CG1-CG2 4.21Å; L723-T768 HydrophobicContact CB-CG2 3.8Å; L723-T768 HydrophobicContact CD1-CG2 3.73Å; L723-T768 HydrophobicContact CG-CG2 4.45Å; K724-T768 WeakPolarHBondContact O-CB 3.26Å; K724-T768 PolarHBondContact O-OG1 3.42Å; P725-T768 VanDerWaalsContact C-OG1 3.31Å; A726-T768 WeakPolarHBondContact CA-O 3.35Å; A726-T768 PolarHBondContact N-OG1 3.07Å; T727-T768 PolarHBondContact N-OG1 3.42Å; T727-T768 PolarHBondContact O-N 2.86Å; T727-T768 VanDerWaalsContact O-N 3.12Å; T727-T768 PolarHBondContact O-OG1 3.23Å; Y729-T768 HydrophobicContact CE2-CG2 4.4Å |
| 769 | K | 87.5 | Confident | 86.6 | Confident | 128 Ų | 128 | 69.3 Ų | 69.3 | 56% | 0.557 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -78.7 | 155.5 | 179.4 | -69.5 | 159 | -178.8 | 153.6 | 0 | 112.5 | V658 G659 I660 P725 A726 | V658-K769 WeakPolarHBondContact O-CE 3.38Å; V658-K769 PolarHBondContact O-NZ 3.27Å; G659-K769 PolarHBondContact O-N 2.61Å; I660-K769 HydrophobicContact CG1-CB 4.01Å; P725-K769 WeakPolarHBondContact CA-O 3.31Å; A726-K769 PolarHBondContact N-O 2.83Å |
| 770 | A | 86.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 72.9 Ų | 72.9 | 33% | 0.331 | 35% | 0.349 | S | S | . | . | P | Polyproline II helix | trans | -79.8 | 164 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A726 N799 | A726-A770 HydrophobicContact CB-CB 4.27Å; A770-N799 VanDerWaalsContact CA-O 3.27Å; A770-N799 WeakPolarHBondContact CA-O 3.17Å; A770-N799 WeakPolarHBondContact CB-O 3.38Å |
| 771 | T | 89.2 | Confident | 88.5 | Confident | 25 Ų | 25 | 69.6 Ų | 69.6 | 15% | 0.153 | 33% | 0.333 | C | S | . | . | trans | -151.7 | -174.6 | -179.8 | -169.1 | 0 | 0 | 0 | 0 | 113.1 | I660 P725 N799 N849 | I660-T771 HydrophobicContact CG2-CG2 3.86Å; P725-T771 HydrophobicContact CB-CG2 4.09Å; P725-T771 HydrophobicContact CG-CG2 3.93Å; T771-N799 HydrophobicContact CG2-CB 3.69Å; T771-N799 PolarHBondContact N-O 3.49Å; T771-N849 PolarHBondContact O-ND2 3.09Å | ||
| 772 | F | 89.1 | Confident | 88.6 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 47% | 0.469 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -54 | 153.6 | 174.1 | -51.2 | -86 | 0 | 0 | 0 | 111.8 | N799 C851 | F772-N799 WeakPolarHBondContact O-CB 3.43Å; F772-N799 PolarHBondContact O-ND2 2.95Å; F772-C851 HydrophobicContact CD1-CB 4.29Å; F772-C851 WeakPolarHBondContact CE1-O 3.15Å |
| 773 | P | 90.2 | Very high | 88.6 | Confident | 6 Ų | 6 | 69.5 Ų | 69.5 | 4% | 0.039 | 33% | 0.334 | C | S | . | . | P | Polyproline II helix | trans | -63.5 | 154.6 | 175.9 | -14.3 | 30.1 | 0 | 0 | 0 | 110.7 | P796 N797 I803 A847 N849 S854 | P773-P796 HydrophobicContact CB-CG 4.37Å; P773-N797 WeakPolarHBondContact CA-O 3.33Å; P773-I803 HydrophobicContact CB-CG1 4.48Å; P773-I803 HydrophobicContact CG-CG1 4.45Å; P773-A847 HydrophobicContact CB-CB 4.06Å; P773-A847 HydrophobicContact CG-CB 4.28Å; P773-N849 HydrophobicContact CG-CB 3.85Å; P773-S854 WeakPolarHBondContact O-CB 3.45Å |
| 774 | E | 88.9 | Confident | 88.7 | Confident | 80 Ų | 80 | 69.7 Ų | 69.7 | 37% | 0.374 | 33% | 0.326 | S | S | . | . | P | Polyproline II helix | trans | -66.3 | 153 | 171.7 | -63.5 | -171.9 | 145.7 | 0 | 0 | 111.1 | R661 P776 P796 N797 N799 | R661-E774 IonicContact NH2-OE1 3.4Å; E774-P776 VanDerWaalsContact O-N 3.17Å; E774-P796 HydrophobicContact CB-CB 4.41Å; E774-P796 WeakPolarHBondContact O-CB 3.36Å; E774-P796 WeakPolarHBondContact O-CG 3.36Å; E774-N797 HydrophobicContact CB-CB 4.29Å; E774-N797 HydrophobicContact CG-CB 3.93Å; E774-N797 PolarHBondContact N-O 3.22Å; E774-N797 WeakPolarHBondContact OE2-CB 3.42Å; E774-N797 PolarHBondContact OE2-ND2 2.99Å; E774-N799 VanDerWaalsContact CG-ND2 3.34Å; E774-N799 WeakPolarHBondContact CG-ND2 3.48Å |
| 775 | K | 91 | Very high | 88.3 | Confident | 84 Ų | 84 | 71.3 Ų | 71.3 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -51.3 | 119.5 | 174 | 173.1 | 168.9 | 172.6 | 162.7 | 0 | 109.1 | D855 Y856 S857 E858 | K775-D855 HydrophobicContact CB-CB 4.44Å; K775-D855 HydrophobicContact CD-CB 4.49Å; K775-Y856 VanDerWaalsContact CD-O 3.28Å; K775-Y856 WeakPolarHBondContact CD-O 3.43Å; K775-Y856 WeakPolarHBondContact CE-O 3.35Å; K775-Y856 WeakPolarHBondContact CG-O 3.33Å; K775-Y856 PolarHBondContact NZ-O 2.84Å; K775-S857 VanDerWaalsContact CE-C 3.49Å; K775-E858 VanDerWaalsContact CE-OE1 3.24Å; K775-E858 WeakPolarHBondContact CE-OE1 3.31Å; K775-E858 IonicContact NZ-OE1 3.39Å; K775-E858 PolarHBondContact NZ-OE1 2.89Å; K775-E858 IonicContact NZ-OE2 3.55Å; K775-E858 PolarHBondContact NZ-OE2 2.76Å |
| 776 | P | 92.3 | Very high | 87.9 | Confident | 3 Ų | 3 | 74 Ų | 74 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -70.1 | 149.6 | -179.5 | 30.3 | -35.5 | 0 | 0 | 0 | 110.7 | E774 P796 L845 S854 D855 S857 | E774-P776 VanDerWaalsContact O-N 3.17Å; P776-P796 HydrophobicContact CB-CB 4.36Å; P776-P796 HydrophobicContact CB-CG 4.04Å; P776-L845 HydrophobicContact CB-CD2 3.97Å; P776-L845 HydrophobicContact CB-CG 4.38Å; P776-L845 HydrophobicContact CG-CB 4.33Å; P776-L845 HydrophobicContact CG-CD2 4.14Å; P776-L845 HydrophobicContact CG-CG 4.01Å; P776-L845 WeakPolarHBondContact CG-O 3.47Å; P776-S854 WeakPolarHBondContact CD-OG 3.25Å; P776-D855 WeakPolarHBondContact CD-O 3.2Å; P776-S857 WeakPolarHBondContact O-CA 3.49Å; P776-S857 WeakPolarHBondContact O-CB 3.19Å |
| 777 | Y | 89.8 | Confident | 87.6 | Confident | 174 Ų | 174 | 76.6 Ų | 76.6 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | P | Polyproline II helix | trans | -59 | 147.7 | 168.1 | -63.4 | -78.3 | 0 | 0 | 0 | 110.6 | ||
| 778 | P | 88.8 | Confident | 87.5 | Confident | 50 Ų | 50 | 69.7 Ų | 69.7 | 33% | 0.325 | 33% | 0.328 | S | S | . | . | P | Polyproline II helix | trans | -52 | 141.3 | 176 | -27.3 | 35.5 | 0 | 0 | 0 | 112 | E858 C860 | P778-E858 HydrophobicContact CG-CB 3.92Å; P778-C860 HydrophobicContact CB-CB 4.34Å |
| 779 | P | 91.4 | Very high | 87.7 | Confident | 4 Ų | 4 | 69.4 Ų | 69.4 | 3% | 0.026 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 142.7 | 176.5 | 28.3 | -34 | 0 | 0 | 0 | 109.8 | L791 W793 L808 F843 L845 C860 | P779-L791 HydrophobicContact CB-CB 4.28Å; P779-L791 HydrophobicContact CB-CD2 4.23Å; P779-L791 HydrophobicContact CG-CD2 4.47Å; P779-W793 HydrophobicContact CB-CE3 3.87Å; P779-L808 HydrophobicContact CG-CD1 4Å; P779-F843 HydrophobicContact CG-CB 4.4Å; P779-L845 HydrophobicContact CG-CB 4.42Å; P779-C860 HydrophobicContact CG-CB 3.66Å; P779-C860 WeakPolarHBondContact O-CB 3.49Å; P779-C860 PolarHBondContact O-SG 3.33Å |
| 780 | R | 88.2 | Confident | 87.9 | Confident | 194 Ų | 194 | 64.9 Ų | 64.9 | 73% | 0.732 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.3 | 176.9 | -62.7 | -173.7 | -179.4 | -166.9 | -0.8 | 109.9 | I782 L791 R792 | R780-I782 PolarHBondContact O-N 3.18Å; R780-L791 CarbonylContact O-C 3.48Å; R780-L791 WeakPolarHBondContact O-CA 3.32Å; R780-R792 PolarHBondContact N-O 3.25Å; R780-R792 PolarHBondContact O-N 2.97Å |
| 781 | V | 89.3 | Confident | 88.3 | Confident | 44 Ų | 44 | 63 Ų | 63 | 27% | 0.267 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 130.1 | 168.5 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | R784 L789 L790 L791 A862 | V781-R784 HydrophobicContact CG1-CG 3.84Å; V781-L789 HydrophobicContact CG1-CD2 4.2Å; V781-L790 CarbonylContact C-O 3.6Å; V781-L790 WeakPolarHBondContact CA-O 3.5Å; V781-L791 HydrophobicContact CG2-CD2 3.81Å; V781-A862 HydrophobicContact CG2-CB 3.48Å; V781-A862 VanDerWaalsContact CG2-CB 3.48Å |
| 782 | I | 86.6 | Confident | 88.5 | Confident | 80 Ų | 80 | 68.3 Ų | 68.3 | 41% | 0.41 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | -37 | 170.6 | -69.6 | -172.4 | 0 | 0 | 0 | 111.1 | R780 L790 R792 | R780-I782 PolarHBondContact O-N 3.18Å; I782-L790 HydrophobicContact CB-CD2 4.04Å; I782-L790 HydrophobicContact CB-CG 4.18Å; I782-L790 HydrophobicContact CG2-CD2 3.87Å; I782-L790 PolarHBondContact N-O 3Å; I782-R792 HydrophobicContact CD1-CB 3.39Å; I782-R792 HydrophobicContact CD1-CG 4.06Å; I782-R792 HydrophobicContact CG1-CB 3.95Å |
| 783 | Q | 82.4 | Confident | 88.7 | Confident | 84 Ų | 84 | 63.9 Ų | 63.9 | 39% | 0.393 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 121.8 | -173.4 | -168.9 | 175.4 | 55 | 0 | 0 | 109.6 | M785 L790 | Q783-M785 VanDerWaalsContact CD-CE 3.42Å; Q783-M785 HydrophobicContact CG-CE 3.82Å; Q783-M785 HydrophobicContact CG-CG 4.43Å; Q783-L790 HydrophobicContact CB-CB 3.85Å; Q783-L790 HydrophobicContact CB-CD2 4.14Å; Q783-L790 PolarHBondContact O-N 3.18Å |
| 784 | R | 86.1 | Confident | 88.8 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 26% | 0.26 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 144.2 | 165.9 | -55.6 | -175.9 | -171.8 | -166.3 | 7.9 | 109.1 | V781 L789 E941 | V781-R784 HydrophobicContact CG1-CG 3.84Å; R784-L789 HydrophobicContact CB-CD2 4.29Å; R784-L789 HydrophobicContact CG-CD2 4Å; R784-E941 VanDerWaalsContact CZ-CD 3.44Å; R784-E941 IonicContact CZ-OE1 2.73Å; R784-E941 IonicContact CZ-OE2 2.74Å; R784-E941 IonicContact NH1-OE1 2.66Å; R784-E941 IonicContact NH1-OE2 2.7Å; R784-E941 PolarHBondContact NH1-OE2 3.44Å; R784-E941 IonicContact NH2-OE1 3.52Å; R784-E941 PolarHBondContact NH2-OE1 2.81Å; R784-E941 IonicContact NH2-OE2 3.43Å; R784-E941 PolarHBondContact NH2-OE2 2.78Å |
| 785 | M | 80.5 | Confident | 88.9 | Confident | 79 Ų | 79 | 65.6 Ų | 65.6 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 158.6 | 171.5 | -67.2 | -86.9 | 161.8 | 0 | 0 | 107.9 | Q783 T787 S788 S865 | Q783-M785 VanDerWaalsContact CD-CE 3.42Å; Q783-M785 HydrophobicContact CG-CE 3.82Å; Q783-M785 HydrophobicContact CG-CG 4.43Å; M785-T787 PolarHBondContact O-N 2.71Å; M785-S788 WeakPolarHBondContact CB-O 3.48Å; M785-S788 WeakPolarHBondContact CB-OG 3.43Å; M785-S788 PolarHBondContact N-O 3.41Å; M785-S788 PolarHBondContact O-N 2.84Å; M785-S865 PolarHBondContact O-N 2.88Å |
| 786 | K | 79.3 | Confident | 88.8 | Confident | 122 Ų | 122 | 62.2 Ų | 62.2 | 53% | 0.53 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.7 | -18.8 | -173.7 | -61.9 | -166.2 | 174.4 | -167.4 | 0 | 115.7 | M837 S865 G866 | K786-M837 WeakPolarHBondContact O-CA 3.34Å; K786-M837 WeakPolarHBondContact O-CB 3.37Å; K786-S865 WeakPolarHBondContact CA-O 3.12Å; K786-G866 WeakPolarHBondContact CE-O 3.5Å |
| 787 | T | 84 | Confident | 88.6 | Confident | 78 Ų | 78 | 65.7 Ų | 65.7 | 48% | 0.479 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -142.5 | 17.3 | 178.7 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | M785 Q833 K834 L835 | M785-T787 PolarHBondContact O-N 2.71Å; T787-Q833 CarbonylContact O-C 3.58Å; T787-K834 PolarHBondContact O-N 3.06Å; T787-L835 VanDerWaalsContact CA-O 3.3Å; T787-L835 WeakPolarHBondContact CA-O 3.37Å; T787-L835 WeakPolarHBondContact CB-O 3.38Å; T787-L835 PolarHBondContact O-N 2.94Å |
| 788 | S | 89.2 | Confident | 88.5 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 4% | 0.042 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.1 | 148.1 | 179.3 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | M785 K831 I832 | M785-S788 WeakPolarHBondContact CB-O 3.48Å; M785-S788 WeakPolarHBondContact CB-OG 3.43Å; M785-S788 PolarHBondContact N-O 3.41Å; M785-S788 PolarHBondContact O-N 2.84Å; S788-K831 WeakPolarHBondContact OG-CE 3.49Å; S788-I832 CarbonylContact C-O 3.55Å; S788-I832 WeakPolarHBondContact CA-O 3.26Å; S788-I832 WeakPolarHBondContact CB-O 3.35Å |
| 789 | L | 90.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 135.5 | 174.1 | -69.8 | 173 | 0 | 0 | 0 | 110.7 | V781 R784 K831 I832 L835 F843 A862 | V781-L789 HydrophobicContact CG1-CD2 4.2Å; R784-L789 HydrophobicContact CB-CD2 4.29Å; R784-L789 HydrophobicContact CG-CD2 4Å; L789-K831 CarbonylContact O-C 3.57Å; L789-K831 WeakPolarHBondContact O-CA 3.28Å; L789-I832 PolarHBondContact N-O 3.22Å; L789-I832 PolarHBondContact O-N 3.21Å; L789-L835 HydrophobicContact CB-CD1 4.11Å; L789-L835 HydrophobicContact CD1-CD1 3.82Å; L789-L835 HydrophobicContact CG-CD1 3.79Å; L789-F843 HydrophobicContact CD1-CE2 3.58Å; L789-F843 HydrophobicContact CD1-CZ 3.86Å; L789-A862 HydrophobicContact CD1-CB 3.9Å; L789-A862 WeakPolarHBondContact CD1-O 3.37Å |
| 790 | L | 93.2 | Very high | 87.7 | Confident | 34 Ų | 34 | 60.3 Ų | 60.3 | 18% | 0.178 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 115.8 | 169.2 | -179.8 | 64.4 | 0 | 0 | 0 | 109.4 | V781 I782 Q783 K831 | V781-L790 CarbonylContact C-O 3.6Å; V781-L790 WeakPolarHBondContact CA-O 3.5Å; I782-L790 HydrophobicContact CB-CD2 4.04Å; I782-L790 HydrophobicContact CB-CG 4.18Å; I782-L790 HydrophobicContact CG2-CD2 3.87Å; I782-L790 PolarHBondContact N-O 3Å; Q783-L790 HydrophobicContact CB-CB 3.85Å; Q783-L790 HydrophobicContact CB-CD2 4.14Å; Q783-L790 PolarHBondContact O-N 3.18Å; L790-K831 HydrophobicContact CD1-CB 4.06Å |
| 791 | L | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 138.2 | -178.4 | -69.4 | 163.3 | 0 | 0 | 0 | 110.1 | P779 R780 V781 W793 L808 Q829 A830 I832 F843 | P779-L791 HydrophobicContact CB-CB 4.28Å; P779-L791 HydrophobicContact CB-CD2 4.23Å; P779-L791 HydrophobicContact CG-CD2 4.47Å; R780-L791 CarbonylContact O-C 3.48Å; R780-L791 WeakPolarHBondContact O-CA 3.32Å; V781-L791 HydrophobicContact CG2-CD2 3.81Å; L791-W793 HydrophobicContact CB-CZ3 4.1Å; L791-L808 HydrophobicContact CD1-CD1 4.47Å; L791-L808 HydrophobicContact CD1-CD2 3.86Å; L791-Q829 CarbonylContact O-C 3.35Å; L791-Q829 WeakPolarHBondContact O-CA 3.46Å; L791-Q829 VanDerWaalsContact O-CB 3.29Å; L791-Q829 WeakPolarHBondContact O-CB 3.08Å; L791-A830 PolarHBondContact N-O 2.81Å; L791-A830 PolarHBondContact O-N 3.16Å; L791-I832 HydrophobicContact CD1-CG1 4.18Å; L791-F843 HydrophobicContact CD1-CB 4.39Å; L791-F843 HydrophobicContact CD1-CD1 3.75Å; L791-F843 HydrophobicContact CD1-CD2 3.99Å; L791-F843 HydrophobicContact CD1-CE1 3.97Å; L791-F843 HydrophobicContact CD1-CE2 4.2Å; L791-F843 HydrophobicContact CD1-CG 3.76Å; L791-F843 HydrophobicContact CD1-CZ 4.19Å |
| 792 | R | 94.2 | Very high | 87.5 | Confident | 137 Ų | 137 | 57.4 Ų | 57.4 | 52% | 0.517 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 144.8 | 174.3 | -176 | -178.2 | 73.5 | -161.5 | -1.2 | 111.2 | R780 I782 R828 Q829 | R780-R792 PolarHBondContact N-O 3.25Å; R780-R792 PolarHBondContact O-N 2.97Å; I782-R792 HydrophobicContact CD1-CB 3.39Å; I782-R792 HydrophobicContact CD1-CG 4.06Å; I782-R792 HydrophobicContact CG1-CB 3.95Å; R792-R828 WeakPolarHBondContact CA-O 3.41Å; R792-R828 VanDerWaalsContact CG-O 3.3Å; R792-R828 WeakPolarHBondContact CG-O 3.16Å; R792-Q829 HydrophobicContact CB-CB 4.07Å; R792-Q829 HydrophobicContact CG-CB 4.19Å |
| 793 | W | 94.1 | Very high | 87.7 | Confident | 14 Ų | 14 | 54.9 Ų | 54.9 | 5% | 0.053 | 29% | 0.286 | C | S | . | . | trans | -135.2 | 162.4 | -179.3 | 47.5 | 94.4 | 0 | 0 | 0 | 112.7 | P779 L791 Y806 L808 Y823 L827 R828 A830 L845 | P779-W793 HydrophobicContact CB-CE3 3.87Å; L791-W793 HydrophobicContact CB-CZ3 4.1Å; W793-Y806 AromaticContact CD1-CD1 3.58Å; W793-Y806 AromaticContact CD1-CE1 3.76Å; W793-Y806 HydrophobicContact CZ2-CG 4.4Å; W793-Y806 AromaticContact NE1-CD1 3.19Å; W793-Y806 AromaticContact NE1-CD2 3.61Å; W793-Y806 AromaticContact NE1-CE1 3.71Å; W793-Y806 AromaticContact NE1-CG 3.13Å; W793-L808 HydrophobicContact CH2-CD2 4.14Å; W793-L808 HydrophobicContact CZ3-CD2 3.98Å; W793-Y823 AromaticContact CH2-CD1 3.87Å; W793-Y823 HydrophobicContact CH2-CD1 3.87Å; W793-Y823 AromaticContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CZ2-CD1 4.02Å; W793-Y823 AromaticContact CZ2-CE1 3.67Å; W793-Y823 HydrophobicContact CZ2-CE1 3.67Å; W793-L827 WeakPolarHBondContact CZ2-O 3.49Å; W793-R828 VanDerWaalsContact CE2-C 3.49Å; W793-R828 PolarHBondContact N-O 3.23Å; W793-A830 HydrophobicContact CH2-CB 3.78Å; W793-A830 HydrophobicContact CZ3-CB 4.23Å; W793-L845 HydrophobicContact CB-CD2 3.41Å; W793-L845 VanDerWaalsContact CB-CD2 3.41Å; W793-L845 HydrophobicContact CD2-CD1 3.89Å; W793-L845 HydrophobicContact CD2-CD2 3.77Å; W793-L845 HydrophobicContact CE3-CD1 4.3Å; W793-L845 HydrophobicContact CE3-CD2 4.4Å; W793-L845 HydrophobicContact CG-CD1 4.25Å; W793-L845 HydrophobicContact CG-CD2 3.31Å; W793-L845 HydrophobicContact CG-CG 4.43Å; W793-L845 HydrophobicContact CH2-CD1 4.47Å; W793-L845 HydrophobicContact CZ2-CD1 4.09Å | ||
| 794 | S | 91.7 | Very high | 88.2 | Confident | 79 Ų | 79 | 56.3 Ų | 56.3 | 55% | 0.552 | 29% | 0.294 | S | S | * | . | P | Polyproline II helix | trans | -81.3 | 159.3 | 168.4 | -65.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 795 | A | 90.4 | Very high | 88.5 | Confident | 42 Ų | 42 | 53.9 Ų | 53.9 | 35% | 0.347 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -73.9 | 130.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | I803 Y806 | A795-I803 HydrophobicContact CB-CD1 4.43Å; A795-Y806 VanDerWaalsContact CB-OH 3.32Å; A795-Y806 WeakPolarHBondContact CB-OH 3.36Å |
| 796 | P | 90 | Very high | 89.3 | Confident | 13 Ų | 13 | 50.8 Ų | 50.8 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 171.3 | 163 | 29.5 | -32.3 | 0 | 0 | 0 | 110.5 | P773 E774 P776 D798 I803 A847 | P773-P796 HydrophobicContact CB-CG 4.37Å; E774-P796 HydrophobicContact CB-CB 4.41Å; E774-P796 WeakPolarHBondContact O-CB 3.36Å; E774-P796 WeakPolarHBondContact O-CG 3.36Å; P776-P796 HydrophobicContact CB-CB 4.36Å; P776-P796 HydrophobicContact CB-CG 4.04Å; P796-D798 PolarHBondContact O-N 3.14Å; P796-I803 HydrophobicContact CG-CD1 3.76Å; P796-A847 HydrophobicContact CG-CB 3.55Å |
| 797 | N | 86.7 | Confident | 90 | Very high | 76 Ų | 76 | 46 Ų | 46 | 41% | 0.406 | 25% | 0.253 | S | S | . | . | P | Polyproline II helix | trans | -59.3 | 132.8 | 166.6 | -179.8 | 7.6 | 0 | 0 | 0 | 110.1 | P773 E774 N799 | P773-N797 WeakPolarHBondContact CA-O 3.33Å; E774-N797 HydrophobicContact CB-CB 4.29Å; E774-N797 HydrophobicContact CG-CB 3.93Å; E774-N797 PolarHBondContact N-O 3.22Å; E774-N797 WeakPolarHBondContact OE2-CB 3.42Å; E774-N797 PolarHBondContact OE2-ND2 2.99Å; N797-N799 VanDerWaalsContact C-N 3.33Å; N797-N799 PolarHBondContact ND2-OD1 2.84Å; N797-N799 VanDerWaalsContact ND2-OD1 3.08Å; N797-N799 PolarHBondContact OD1-N 2.94Å; N797-N799 VanDerWaalsContact OD1-N 3.16Å |
| 798 | D | 89.1 | Confident | 90.5 | Very high | 60 Ų | 60 | 42.3 Ų | 42.3 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | trans | -86.4 | -5.8 | -175.2 | 85.7 | -4.6 | 0 | 0 | 0 | 113.5 | P796 G800 S801 K802 I803 N849 | P796-D798 PolarHBondContact O-N 3.14Å; D798-G800 PolarHBondContact O-N 2.83Å; D798-G800 VanDerWaalsContact O-N 3.13Å; D798-G800 PolarHBondContact OD1-N 3.43Å; D798-S801 WeakPolarHBondContact CB-O 3.34Å; D798-S801 PolarHBondContact O-N 2.92Å; D798-S801 VanDerWaalsContact O-N 3.14Å; D798-K802 WeakPolarHBondContact OD2-CA 3.46Å; D798-I803 HydrophobicContact CB-CD1 4.38Å; D798-I803 HydrophobicContact CB-CG1 3.95Å; D798-N849 PolarHBondContact O-ND2 2.82Å | ||
| 799 | N | 85 | Confident | 90.8 | Very high | 10 Ų | 10 | 43 Ų | 43 | 5% | 0.053 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 32 | 179.6 | -75.7 | -33.9 | 0 | 0 | 0 | 114.4 | P725 A770 T771 F772 E774 N797 | P725-N799 HydrophobicContact CB-CB 4.25Å; P725-N799 HydrophobicContact CG-CB 4.48Å; A770-N799 VanDerWaalsContact CA-O 3.27Å; A770-N799 WeakPolarHBondContact CA-O 3.17Å; A770-N799 WeakPolarHBondContact CB-O 3.38Å; T771-N799 HydrophobicContact CG2-CB 3.69Å; T771-N799 PolarHBondContact N-O 3.49Å; F772-N799 WeakPolarHBondContact O-CB 3.43Å; F772-N799 PolarHBondContact O-ND2 2.95Å; E774-N799 VanDerWaalsContact CG-ND2 3.34Å; E774-N799 WeakPolarHBondContact CG-ND2 3.48Å; N797-N799 VanDerWaalsContact C-N 3.33Å; N797-N799 PolarHBondContact ND2-OD1 2.84Å; N797-N799 VanDerWaalsContact ND2-OD1 3.08Å; N797-N799 PolarHBondContact OD1-N 2.94Å; N797-N799 VanDerWaalsContact OD1-N 3.16Å |
| 800 | G | 77.6 | Confident | 90.9 | Very high | 46 Ų | 46 | 44.3 Ų | 44.3 | 47% | 0.474 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.5 | 5.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | D798 | D798-G800 PolarHBondContact O-N 2.83Å; D798-G800 VanDerWaalsContact O-N 3.13Å; D798-G800 PolarHBondContact OD1-N 3.43Å |
| 801 | S | 87.1 | Confident | 90.8 | Very high | 8 Ų | 8 | 43.8 Ų | 43.8 | 6% | 0.056 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -134.7 | 124.1 | 168.2 | 179.6 | 0 | 0 | 0 | 0 | 110.5 | D798 I803 N849 Q850 | D798-S801 WeakPolarHBondContact CB-O 3.34Å; D798-S801 PolarHBondContact O-N 2.92Å; D798-S801 VanDerWaalsContact O-N 3.14Å; S801-I803 PolarHBondContact O-N 2.85Å; S801-N849 WeakPolarHBondContact O-CB 3.46Å; S801-N849 PolarHBondContact O-ND2 2.92Å; S801-N849 VanDerWaalsContact O-ND2 3.1Å; S801-Q850 VanDerWaalsContact OG-CB 3.32Å; S801-Q850 WeakPolarHBondContact OG-CB 3.18Å; S801-Q850 WeakPolarHBondContact OG-CG 3.37Å; S801-Q850 PolarHBondContact OG-N 2.9Å; S801-Q850 PolarHBondContact OG-OE1 3.39Å; S801-Q850 VanDerWaalsContact OG-OE1 3.13Å |
| 802 | K | 87.4 | Confident | 90.4 | Very high | 168 Ų | 168 | 47 Ų | 47 | 73% | 0.73 | 25% | 0.251 | S | S | * | . | trans | -55.9 | 130.8 | -172.6 | -177.9 | 179.2 | 177.5 | -179.3 | 0 | 112.6 | D798 M804 N849 | D798-K802 WeakPolarHBondContact OD2-CA 3.46Å; K802-M804 PolarHBondContact O-N 2.83Å; K802-N849 WeakPolarHBondContact O-CB 3.22Å | ||
| 803 | I | 90.7 | Very high | 89.3 | Confident | 27 Ų | 27 | 46.8 Ų | 46.8 | 14% | 0.138 | 26% | 0.256 | C | S | . | . | trans | -60.6 | 124.1 | 172.3 | -57.5 | 172.2 | 0 | 0 | 0 | 109.9 | P773 A795 P796 D798 S801 Y806 A847 K848 | P773-I803 HydrophobicContact CB-CG1 4.48Å; P773-I803 HydrophobicContact CG-CG1 4.45Å; A795-I803 HydrophobicContact CB-CD1 4.43Å; P796-I803 HydrophobicContact CG-CD1 3.76Å; D798-I803 HydrophobicContact CB-CD1 4.38Å; D798-I803 HydrophobicContact CB-CG1 3.95Å; S801-I803 PolarHBondContact O-N 2.85Å; I803-Y806 HydrophobicContact CG2-CE1 4.18Å; I803-Y806 HydrophobicContact CG2-CE2 4.23Å; I803-A847 HydrophobicContact CD1-CB 4.24Å; I803-A847 HydrophobicContact CG2-CB 4.24Å; I803-K848 CarbonylContact C-O 3.52Å | ||
| 804 | M | 92 | Very high | 88.2 | Confident | 115 Ų | 115 | 55.5 Ų | 55.5 | 57% | 0.567 | 30% | 0.297 | S | S | * | . | trans | -95.7 | -37.1 | -178.3 | -60.4 | 174.5 | 66.4 | 0 | 0 | 112.1 | K802 K848 Q850 | K802-M804 PolarHBondContact O-N 2.83Å; M804-K848 PolarHBondContact N-O 2.99Å; M804-Q850 HydrophobicContact SD-CB 4.47Å; M804-Q850 HydrophobicContact SD-CG 3.67Å | ||
| 805 | A | 93.3 | Very high | 87.3 | Confident | 18 Ų | 18 | 58.7 Ų | 58.7 | 15% | 0.149 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 157.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | K848 | A805-K848 PolarHBondContact N-O 2.78Å; A805-K848 PolarHBondContact O-N 3.11Å |
| 806 | Y | 95.7 | Very high | 86.5 | Confident | 14 Ų | 14 | 64.5 Ų | 64.5 | 6% | 0.055 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 138.8 | 164.3 | -58.2 | -88.7 | 0 | 0 | 0 | 108.6 | W793 A795 I803 S824 G825 L827 R828 A846 A847 | W793-Y806 AromaticContact CD1-CD1 3.58Å; W793-Y806 AromaticContact CD1-CE1 3.76Å; W793-Y806 HydrophobicContact CZ2-CG 4.4Å; W793-Y806 AromaticContact NE1-CD1 3.19Å; W793-Y806 AromaticContact NE1-CD2 3.61Å; W793-Y806 AromaticContact NE1-CE1 3.71Å; W793-Y806 AromaticContact NE1-CG 3.13Å; A795-Y806 VanDerWaalsContact CB-OH 3.32Å; A795-Y806 WeakPolarHBondContact CB-OH 3.36Å; I803-Y806 HydrophobicContact CG2-CE1 4.18Å; I803-Y806 HydrophobicContact CG2-CE2 4.23Å; Y806-S824 WeakPolarHBondContact O-CA 3.44Å; Y806-G825 PolarHBondContact N-O 2.92Å; Y806-G825 PolarHBondContact O-N 3.43Å; Y806-L827 WeakPolarHBondContact CD2-O 3.28Å; Y806-R828 HydrophobicContact CD2-CG 4.49Å; Y806-R828 HydrophobicContact CE2-CG 3.7Å; Y806-A846 CarbonylContact C-O 3.59Å; Y806-A846 WeakPolarHBondContact CA-O 3.21Å; Y806-A847 HydrophobicContact CD1-CB 4.17Å; Y806-A847 HydrophobicContact CE1-CB 4.28Å |
| 807 | L | 94.9 | Very high | 85.8 | Confident | 21 Ų | 21 | 66.4 Ų | 66.4 | 11% | 0.11 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 112.4 | 179.3 | -47.9 | 177.5 | 0 | 0 | 0 | 107.3 | S824 L845 A846 | L807-S824 WeakPolarHBondContact CD2-OG 3.32Å; L807-L845 CarbonylContact O-C 3.55Å; L807-L845 WeakPolarHBondContact O-CA 3.44Å; L807-A846 HydrophobicContact CB-CB 4.44Å; L807-A846 PolarHBondContact N-O 2.93Å; L807-A846 PolarHBondContact O-N 2.86Å |
| 808 | L | 95 | Very high | 85.9 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 121.3 | 177.6 | 178.3 | 69.9 | 0 | 0 | 0 | 108.4 | P779 L791 W793 V822 Y823 A830 I832 F843 L845 | P779-L808 HydrophobicContact CG-CD1 4Å; L791-L808 HydrophobicContact CD1-CD1 4.47Å; L791-L808 HydrophobicContact CD1-CD2 3.86Å; W793-L808 HydrophobicContact CH2-CD2 4.14Å; W793-L808 HydrophobicContact CZ3-CD2 3.98Å; L808-V822 HydrophobicContact CD2-CG2 4.21Å; L808-V822 HydrophobicContact CG-CG2 3.99Å; L808-V822 WeakPolarHBondContact O-CG2 3.39Å; L808-V822 PolarHBondContact O-N 3.42Å; L808-Y823 HydrophobicContact CB-CD1 4.2Å; L808-Y823 PolarHBondContact N-O 3.44Å; L808-Y823 PolarHBondContact O-N 3.42Å; L808-Y823 VanDerWaalsContact O-N 3.16Å; L808-A830 HydrophobicContact CD2-CB 4.08Å; L808-I832 HydrophobicContact CD2-CD1 4.03Å; L808-I832 HydrophobicContact CD2-CG1 4.37Å; L808-F843 HydrophobicContact CD1-CB 4.21Å; L808-L845 HydrophobicContact CB-CD1 4.19Å; L808-L845 HydrophobicContact CD1-CB 4.38Å; L808-L845 HydrophobicContact CD1-CD1 4.26Å |
| 809 | E | 94.6 | Very high | 85.9 | Confident | 20 Ų | 20 | 63 Ų | 63 | 9% | 0.093 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 150.4 | 178.7 | -62.9 | 173 | -174.2 | 0 | 0 | 110.8 | F819 K820 E821 F843 R844 Y856 | E809-F819 HydrophobicContact CB-CB 4.12Å; E809-F819 HydrophobicContact CB-CD1 4.4Å; E809-K820 CarbonylContact C-O 3.46Å; E809-K820 WeakPolarHBondContact CA-O 3.23Å; E809-E821 HydrophobicContact CG-CB 4.45Å; E809-F843 CarbonylContact O-C 3.33Å; E809-F843 VanDerWaalsContact O-CA 3.26Å; E809-F843 WeakPolarHBondContact O-CA 3.31Å; E809-R844 HydrophobicContact CB-CG 4.01Å; E809-R844 PolarHBondContact N-O 3.44Å; E809-R844 PolarHBondContact O-N 2.84Å; E809-R844 IonicContact OE2-CZ 3.85Å; E809-R844 IonicContact OE2-NE 3.17Å; E809-R844 PolarHBondContact OE2-NE 3.4Å; E809-R844 IonicContact OE2-NH2 2.82Å; E809-R844 PolarHBondContact OE2-NH2 3.3Å; E809-Y856 HydrophobicContact CG-CE1 4.16Å; E809-Y856 WeakPolarHBondContact OE1-CE1 3.42Å; E809-Y856 PolarHBondContact OE1-OH 3.39Å; E809-Y856 VanDerWaalsContact OE2-CE1 3.32Å; E809-Y856 WeakPolarHBondContact OE2-CE1 3.43Å |
| 810 | M | 93.1 | Very high | 86.2 | Confident | 28 Ų | 28 | 68.1 Ų | 68.1 | 14% | 0.138 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 143.4 | 177 | -171.8 | -175.7 | 86.3 | 0 | 0 | 109.4 | F819 K820 V822 I832 L835 Y841 R842 F843 | M810-F819 CarbonylContact O-C 3.46Å; M810-F819 WeakPolarHBondContact O-CA 3.35Å; M810-K820 PolarHBondContact N-O 3.2Å; M810-K820 PolarHBondContact O-N 3.45Å; M810-V822 HydrophobicContact CB-CB 4.44Å; M810-V822 HydrophobicContact CB-CG1 3.57Å; M810-V822 HydrophobicContact CB-CG2 3.99Å; M810-V822 HydrophobicContact SD-CG1 4.34Å; M810-I832 HydrophobicContact SD-CG2 4.32Å; M810-L835 HydrophobicContact CE-CD2 4.31Å; M810-L835 HydrophobicContact SD-CD2 3.71Å; M810-Y841 HydrophobicContact CE-CD1 3.97Å; M810-Y841 HydrophobicContact CE-CE1 4.18Å; M810-Y841 HydrophobicContact CG-CD1 4.25Å; M810-Y841 HydrophobicContact SD-CD1 3.68Å; M810-Y841 HydrophobicContact SD-CE1 4.36Å; M810-Y841 HydrophobicContact SD-CG 4.25Å; M810-R842 CarbonylContact C-O 3.56Å; M810-R842 WeakPolarHBondContact CA-O 3.49Å; M810-F843 HydrophobicContact CB-CD1 3.86Å; M810-F843 HydrophobicContact CB-CE1 3.8Å; M810-F843 HydrophobicContact CG-CD1 3.89Å; M810-F843 HydrophobicContact CG-CE1 3.48Å; M810-F843 VanDerWaalsContact CG-CE1 3.48Å; M810-F843 HydrophobicContact CG-CZ 4.03Å; M810-F843 HydrophobicContact SD-CE1 3.68Å; M810-F843 HydrophobicContact SD-CZ 3.99Å |
| 811 | E | 91.6 | Very high | 86.9 | Confident | 24 Ų | 24 | 70.9 Ų | 70.9 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 144.7 | 174.8 | -169.5 | 160.3 | -133.8 | 0 | 0 | 112 | G817 A818 F819 R842 | E811-G817 PolarHBondContact OE1-N 3.25Å; E811-A818 CarbonylContact C-O 3.59Å; E811-A818 VanDerWaalsContact CA-O 3.31Å; E811-A818 WeakPolarHBondContact CA-O 3.32Å; E811-F819 HydrophobicContact CB-CD1 4.26Å; E811-F819 HydrophobicContact CB-CE1 3.9Å; E811-F819 HydrophobicContact CB-CZ 4.13Å; E811-F819 HydrophobicContact CG-CZ 4.43Å; E811-R842 HydrophobicContact CB-CB 4.09Å; E811-R842 PolarHBondContact N-O 3.06Å; E811-R842 IonicContact OE1-NH1 2.68Å; E811-R842 WeakPolarHBondContact OE2-CD 3.22Å; E811-R842 WeakPolarHBondContact OE2-CG 3.43Å; E811-R842 IonicContact OE2-CZ 3.93Å; E811-R842 IonicContact OE2-NE 3.82Å; E811-R842 IonicContact OE2-NH1 3.18Å; E811-R842 PolarHBondContact OE2-NH1 2.87Å |
| 812 | E | 83.8 | Confident | 87.1 | Confident | 67 Ų | 67 | 72.8 Ų | 72.8 | 31% | 0.313 | 36% | 0.359 | S | S | . | . | trans | -94.6 | 122.9 | 179.9 | -60.2 | -168.5 | 128.2 | 0 | 0 | 111.4 | E814 K815 A818 K820 | E812-E814 PolarHBondContact O-N 2.84Å; E812-K815 CarbonylContact O-C 3.51Å; E812-K815 PolarHBondContact O-N 2.86Å; E812-A818 HydrophobicContact CB-CB 4.4Å; E812-A818 PolarHBondContact N-O 3.45Å; E812-K820 HydrophobicContact CG-CB 3.81Å; E812-K820 WeakPolarHBondContact OE1-CD 3.38Å; E812-K820 WeakPolarHBondContact OE1-CG 3.28Å; E812-K820 IonicContact OE1-NZ 2.62Å; E812-K820 PolarHBondContact OE1-NZ 3.05Å | ||
| 813 | E | 71 | Confident | 87.4 | Confident | 132 Ų | 132 | 66.8 Ų | 66.8 | 62% | 0.617 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.1 | -177.2 | -65.6 | 173.6 | -167.6 | 0 | 0 | 113.8 | K815 Y841 | E813-K815 VanDerWaalsContact C-N 3.3Å; E813-K815 PolarHBondContact O-N 2.8Å; E813-Y841 HydrophobicContact CG-CE1 4.42Å; E813-Y841 WeakPolarHBondContact OE1-CE1 3.36Å; E813-Y841 PolarHBondContact OE1-OH 3.1Å |
| 814 | E | 71.1 | Confident | 87.6 | Confident | 197 Ų | 197 | 68.4 Ų | 68.4 | 92% | 0.921 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | -13.8 | 179.4 | -62.8 | -176.2 | 175.3 | 0 | 0 | 113.9 | E812 | E812-E814 PolarHBondContact O-N 2.84Š|
| 815 | K | 72.3 | Confident | 87.6 | Confident | 146 Ų | 146 | 63.5 Ų | 63.5 | 64% | 0.635 | 33% | 0.325 | S | S | * | . | S | Bend | trans | -160.9 | 95.8 | -169.2 | -160.6 | 170.2 | -170.3 | 173.4 | 0 | 113.7 | E812 E813 G817 A818 | E812-K815 CarbonylContact O-C 3.51Å; E812-K815 PolarHBondContact O-N 2.86Å; E813-K815 VanDerWaalsContact C-N 3.3Å; E813-K815 PolarHBondContact O-N 2.8Å; K815-G817 PolarHBondContact O-N 3.05Å; K815-A818 HydrophobicContact CB-CB 3.92Å; K815-A818 HydrophobicContact CD-CB 4.33Å; K815-A818 HydrophobicContact CG-CB 4.16Å; K815-A818 WeakPolarHBondContact O-CB 3.18Å; K815-A818 PolarHBondContact O-N 3.15Å |
| 816 | E | 73.4 | Confident | 87.5 | Confident | 165 Ų | 165 | 67.3 Ų | 67.3 | 77% | 0.771 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.9 | 133.3 | 174.3 | -169.4 | 165.4 | -129.7 | 0 | 0 | 112.1 | A818 R842 | E816-A818 VanDerWaalsContact C-N 3.32Å; E816-A818 PolarHBondContact O-N 3.49Å; E816-R842 IonicContact OE1-NH1 3.67Å |
| 817 | G | 76.8 | Confident | 87.4 | Confident | 53 Ų | 53 | 72 Ų | 72 | 55% | 0.546 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.6 | -7.9 | -172.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | E811 K815 F819 | E811-G817 PolarHBondContact OE1-N 3.25Å; K815-G817 PolarHBondContact O-N 3.05Å; G817-F819 WeakPolarHBondContact O-CD2 3.46Å |
| 818 | A | 87.3 | Confident | 87.3 | Confident | 23 Ų | 23 | 77.9 Ų | 77.9 | 19% | 0.19 | 40% | 0.395 | C | S | . | . | trans | -86.5 | 126.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | E811 E812 K815 E816 | E811-A818 CarbonylContact C-O 3.59Å; E811-A818 VanDerWaalsContact CA-O 3.31Å; E811-A818 WeakPolarHBondContact CA-O 3.32Å; E812-A818 HydrophobicContact CB-CB 4.4Å; E812-A818 PolarHBondContact N-O 3.45Å; K815-A818 HydrophobicContact CB-CB 3.92Å; K815-A818 HydrophobicContact CD-CB 4.33Å; K815-A818 HydrophobicContact CG-CB 4.16Å; K815-A818 WeakPolarHBondContact O-CB 3.18Å; K815-A818 PolarHBondContact O-N 3.15Å; E816-A818 VanDerWaalsContact C-N 3.32Å; E816-A818 PolarHBondContact O-N 3.49Å | ||
| 819 | F | 90.8 | Very high | 87.3 | Confident | 42 Ų | 42 | 82.5 Ų | 82.5 | 18% | 0.184 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 133.7 | -177 | -77 | -93.3 | 0 | 0 | 0 | 111.3 | E809 M810 E811 G817 R844 L859 | E809-F819 HydrophobicContact CB-CB 4.12Å; E809-F819 HydrophobicContact CB-CD1 4.4Å; M810-F819 CarbonylContact O-C 3.46Å; M810-F819 WeakPolarHBondContact O-CA 3.35Å; E811-F819 HydrophobicContact CB-CD1 4.26Å; E811-F819 HydrophobicContact CB-CE1 3.9Å; E811-F819 HydrophobicContact CB-CZ 4.13Å; E811-F819 HydrophobicContact CG-CZ 4.43Å; G817-F819 WeakPolarHBondContact O-CD2 3.46Å; F819-R844 HydrophobicContact CD1-CG 3.81Å; F819-R844 VanDerWaalsContact CD2-CZ 3.5Å; F819-R844 HydrophobicContact CE1-CG 4.03Å; F819-R844 HydrophobicContact CG-CG 4.45Å; F819-R844 VanDerWaalsContact CG-CZ 3.44Å; F819-L859 HydrophobicContact CE1-CD2 3.95Å; F819-L859 HydrophobicContact CZ-CD2 3.67Å |
| 820 | K | 90.3 | Very high | 87.2 | Confident | 116 Ų | 116 | 81.9 Ų | 81.9 | 50% | 0.504 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 133.5 | -176.2 | -163.7 | -163.9 | -147.2 | 88.8 | 0 | 110.5 | E809 M810 E812 V822 | E809-K820 CarbonylContact C-O 3.46Å; E809-K820 WeakPolarHBondContact CA-O 3.23Å; M810-K820 PolarHBondContact N-O 3.2Å; M810-K820 PolarHBondContact O-N 3.45Å; E812-K820 HydrophobicContact CG-CB 3.81Å; E812-K820 WeakPolarHBondContact OE1-CD 3.38Å; E812-K820 WeakPolarHBondContact OE1-CG 3.28Å; E812-K820 IonicContact OE1-NZ 2.62Å; E812-K820 PolarHBondContact OE1-NZ 3.05Å; K820-V822 PolarHBondContact O-N 2.97Å |
| 821 | E | 92.9 | Very high | 87.1 | Confident | 105 Ų | 105 | 85.2 Ų | 85.2 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64 | 119.7 | 172.8 | -167.2 | -178.6 | 82.3 | 0 | 0 | 110.2 | E809 S824 | E809-E821 HydrophobicContact CG-CB 4.45Å; E821-S824 VanDerWaalsContact OE1-CB 3.31Å; E821-S824 WeakPolarHBondContact OE1-CB 3.17Å; E821-S824 PolarHBondContact OE2-OG 3.01Å |
| 822 | V | 91.9 | Very high | 87.2 | Confident | 47 Ų | 47 | 84.7 Ų | 84.7 | 29% | 0.285 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | -15.9 | 178.4 | -67 | 0 | 0 | 0 | 0 | 112.9 | L808 M810 K820 I832 | L808-V822 HydrophobicContact CD2-CG2 4.21Å; L808-V822 HydrophobicContact CG-CG2 3.99Å; L808-V822 WeakPolarHBondContact O-CG2 3.39Å; L808-V822 PolarHBondContact O-N 3.42Å; M810-V822 HydrophobicContact CB-CB 4.44Å; M810-V822 HydrophobicContact CB-CG1 3.57Å; M810-V822 HydrophobicContact CB-CG2 3.99Å; M810-V822 HydrophobicContact SD-CG1 4.34Å; K820-V822 PolarHBondContact O-N 2.97Å; V822-I832 HydrophobicContact CB-CD1 3.93Å; V822-I832 HydrophobicContact CG2-CD1 3.65Å; V822-I832 HydrophobicContact CG2-CG1 4.21Å |
| 823 | Y | 93.7 | Very high | 87.5 | Confident | 42 Ų | 42 | 87.6 Ų | 87.6 | 17% | 0.165 | 44% | 0.44 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 140.2 | 167.9 | 162.7 | -86 | 0 | 0 | 0 | 111.3 | W793 L808 G825 L827 A830 | W793-Y823 AromaticContact CH2-CD1 3.87Å; W793-Y823 HydrophobicContact CH2-CD1 3.87Å; W793-Y823 AromaticContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CH2-CE1 3.93Å; W793-Y823 HydrophobicContact CZ2-CD1 4.02Å; W793-Y823 AromaticContact CZ2-CE1 3.67Å; W793-Y823 HydrophobicContact CZ2-CE1 3.67Å; L808-Y823 HydrophobicContact CB-CD1 4.2Å; L808-Y823 PolarHBondContact N-O 3.44Å; L808-Y823 PolarHBondContact O-N 3.42Å; L808-Y823 VanDerWaalsContact O-N 3.16Å; Y823-G825 WeakPolarHBondContact OH-CA 3.35Å; Y823-G825 PolarHBondContact OH-O 2.72Å; Y823-L827 WeakPolarHBondContact OH-CA 3.12Å; Y823-L827 VanDerWaalsContact OH-CB 3.29Å; Y823-L827 WeakPolarHBondContact OH-CB 3.41Å; Y823-L827 PolarHBondContact OH-N 2.86Å; Y823-L827 PolarHBondContact OH-O 3.39Å; Y823-A830 HydrophobicContact CD1-CB 4.02Å; Y823-A830 HydrophobicContact CD2-CB 3.7Å; Y823-A830 HydrophobicContact CE2-CB 4.35Å; Y823-A830 HydrophobicContact CG-CB 3.51Å |
| 824 | S | 93.8 | Very high | 88.3 | Confident | 62 Ų | 62 | 90.9 Ų | 90.9 | 43% | 0.434 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 117.7 | 175.8 | -160.3 | 0 | 0 | 0 | 0 | 109.3 | Y806 L807 E821 | Y806-S824 WeakPolarHBondContact O-CA 3.44Å; L807-S824 WeakPolarHBondContact CD2-OG 3.32Å; E821-S824 VanDerWaalsContact OE1-CB 3.31Å; E821-S824 WeakPolarHBondContact OE1-CB 3.17Å; E821-S824 PolarHBondContact OE2-OG 3.01Å |
| 825 | G | 91.7 | Very high | 89.1 | Confident | 11 Ų | 11 | 82 Ų | 82 | 11% | 0.113 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 167.7 | 176.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Y806 Y823 | Y806-G825 PolarHBondContact N-O 2.92Å; Y806-G825 PolarHBondContact O-N 3.43Å; Y823-G825 WeakPolarHBondContact OH-CA 3.35Å; Y823-G825 PolarHBondContact OH-O 2.72Å |
| 826 | P | 92.4 | Very high | 89.6 | Confident | 99 Ų | 99 | 79.6 Ų | 79.6 | 64% | 0.643 | 40% | 0.404 | S | S | * | . | S | Bend | trans | -83.2 | -13.2 | -172.8 | 33.5 | -37 | 0 | 0 | 0 | 114.6 | ||
| 827 | L | 92.8 | Very high | 89.8 | Confident | 111 Ų | 111 | 77.9 Ų | 77.9 | 58% | 0.581 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -69.7 | 146.5 | 176.8 | -51.5 | 177.8 | 0 | 0 | 0 | 110.4 | W793 Y806 Y823 Q829 | W793-L827 WeakPolarHBondContact CZ2-O 3.49Å; Y806-L827 WeakPolarHBondContact CD2-O 3.28Å; Y823-L827 WeakPolarHBondContact OH-CA 3.12Å; Y823-L827 VanDerWaalsContact OH-CB 3.29Å; Y823-L827 WeakPolarHBondContact OH-CB 3.41Å; Y823-L827 PolarHBondContact OH-N 2.86Å; Y823-L827 PolarHBondContact OH-O 3.39Å; L827-Q829 PolarHBondContact O-N 3.02Å |
| 828 | R | 93.5 | Very high | 89.4 | Confident | 146 Ų | 146 | 79.6 Ų | 79.6 | 55% | 0.551 | 40% | 0.401 | S | S | * | . | S | Bend | trans | -88.2 | 19 | 177.8 | -73 | -175.2 | -69.5 | -157.3 | 0.5 | 113.7 | R792 W793 Y806 | R792-R828 WeakPolarHBondContact CA-O 3.41Å; R792-R828 VanDerWaalsContact CG-O 3.3Å; R792-R828 WeakPolarHBondContact CG-O 3.16Å; W793-R828 VanDerWaalsContact CE2-C 3.49Å; W793-R828 PolarHBondContact N-O 3.23Å; Y806-R828 HydrophobicContact CD2-CG 4.49Å; Y806-R828 HydrophobicContact CE2-CG 3.7Å |
| 829 | Q | 93.8 | Very high | 89 | Confident | 96 Ų | 96 | 80.4 Ų | 80.4 | 45% | 0.449 | 40% | 0.404 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.3 | 151.5 | 179.1 | 66.7 | -173.6 | 17.5 | 0 | 0 | 111.1 | L791 R792 L827 | L791-Q829 CarbonylContact O-C 3.35Å; L791-Q829 WeakPolarHBondContact O-CA 3.46Å; L791-Q829 VanDerWaalsContact O-CB 3.29Å; L791-Q829 WeakPolarHBondContact O-CB 3.08Å; R792-Q829 HydrophobicContact CB-CB 4.07Å; R792-Q829 HydrophobicContact CG-CB 4.19Å; L827-Q829 PolarHBondContact O-N 3.02Å |
| 830 | A | 92.3 | Very high | 88.8 | Confident | 8 Ų | 8 | 82.8 Ų | 82.8 | 7% | 0.066 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 145.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L791 W793 L808 Y823 I832 | L791-A830 PolarHBondContact N-O 2.81Å; L791-A830 PolarHBondContact O-N 3.16Å; W793-A830 HydrophobicContact CH2-CB 3.78Å; W793-A830 HydrophobicContact CZ3-CB 4.23Å; L808-A830 HydrophobicContact CD2-CB 4.08Å; Y823-A830 HydrophobicContact CD1-CB 4.02Å; Y823-A830 HydrophobicContact CD2-CB 3.7Å; Y823-A830 HydrophobicContact CE2-CB 4.35Å; Y823-A830 HydrophobicContact CG-CB 3.51Å; A830-I832 HydrophobicContact CB-CD1 4.26Å |
| 831 | K | 92.6 | Very high | 88.8 | Confident | 98 Ų | 98 | 77.6 Ų | 77.6 | 43% | 0.426 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 109.5 | 171.4 | -173.7 | 175.7 | -178.7 | 169.8 | 0 | 109.3 | S788 L789 L790 Q833 | S788-K831 WeakPolarHBondContact OG-CE 3.49Å; L789-K831 CarbonylContact O-C 3.57Å; L789-K831 WeakPolarHBondContact O-CA 3.28Å; L790-K831 HydrophobicContact CD1-CB 4.06Å; K831-Q833 HydrophobicContact CD-CG 4.42Å; K831-Q833 HydrophobicContact CG-CG 4.1Å |
| 832 | I | 93.1 | Very high | 88.7 | Confident | 13 Ų | 13 | 75.8 Ų | 75.8 | 7% | 0.067 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 131.8 | 176 | -49.6 | -48.2 | 0 | 0 | 0 | 107.9 | S788 L789 L791 L808 M810 V822 A830 L835 F843 | S788-I832 CarbonylContact C-O 3.55Å; S788-I832 WeakPolarHBondContact CA-O 3.26Å; S788-I832 WeakPolarHBondContact CB-O 3.35Å; L789-I832 PolarHBondContact N-O 3.22Å; L789-I832 PolarHBondContact O-N 3.21Å; L791-I832 HydrophobicContact CD1-CG1 4.18Å; L808-I832 HydrophobicContact CD2-CD1 4.03Å; L808-I832 HydrophobicContact CD2-CG1 4.37Å; M810-I832 HydrophobicContact SD-CG2 4.32Å; V822-I832 HydrophobicContact CB-CD1 3.93Å; V822-I832 HydrophobicContact CG2-CD1 3.65Å; V822-I832 HydrophobicContact CG2-CG1 4.21Å; A830-I832 HydrophobicContact CB-CD1 4.26Å; I832-L835 HydrophobicContact CB-CD1 4.39Å; I832-L835 HydrophobicContact CG2-CD1 4.14Å; I832-L835 HydrophobicContact CG2-CD2 3.93Å; I832-L835 HydrophobicContact CG2-CG 4.2Å; I832-F843 HydrophobicContact CB-CE1 4.49Å; I832-F843 HydrophobicContact CG1-CE1 4.03Å; I832-F843 HydrophobicContact CG2-CE1 4.33Å |
| 833 | Q | 89.9 | Confident | 88.8 | Confident | 128 Ų | 128 | 73.6 Ų | 73.6 | 60% | 0.598 | 37% | 0.368 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 166.8 | -173.9 | -56.2 | -171 | -89.1 | 0 | 0 | 111.1 | T787 K831 L835 | T787-Q833 CarbonylContact O-C 3.58Å; K831-Q833 HydrophobicContact CD-CG 4.42Å; K831-Q833 HydrophobicContact CG-CG 4.1Å; Q833-L835 VanDerWaalsContact C-N 3.31Å |
| 834 | K | 88 | Confident | 88.9 | Confident | 201 Ų | 201 | 74.6 Ų | 74.6 | 87% | 0.874 | 37% | 0.372 | S | S | * | . | S | Bend | trans | 68 | 29.8 | -175.1 | -48 | 178.3 | -179.7 | 179.4 | 0 | 113.3 | T787 | T787-K834 PolarHBondContact O-N 3.06Š|
| 835 | L | 88.5 | Confident | 89 | Confident | 9 Ų | 9 | 71.6 Ų | 71.6 | 5% | 0.047 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -80.7 | 148.8 | 171.2 | -58.5 | 179 | 0 | 0 | 0 | 109.5 | T787 L789 M810 I832 Q833 Y841 T864 | T787-L835 VanDerWaalsContact CA-O 3.3Å; T787-L835 WeakPolarHBondContact CA-O 3.37Å; T787-L835 WeakPolarHBondContact CB-O 3.38Å; T787-L835 PolarHBondContact O-N 2.94Å; L789-L835 HydrophobicContact CB-CD1 4.11Å; L789-L835 HydrophobicContact CD1-CD1 3.82Å; L789-L835 HydrophobicContact CG-CD1 3.79Å; M810-L835 HydrophobicContact CE-CD2 4.31Å; M810-L835 HydrophobicContact SD-CD2 3.71Å; I832-L835 HydrophobicContact CB-CD1 4.39Å; I832-L835 HydrophobicContact CG2-CD1 4.14Å; I832-L835 HydrophobicContact CG2-CD2 3.93Å; I832-L835 HydrophobicContact CG2-CG 4.2Å; Q833-L835 VanDerWaalsContact C-N 3.31Å; L835-Y841 HydrophobicContact CB-CD2 4.17Å; L835-Y841 HydrophobicContact CB-CE2 3.63Å; L835-Y841 HydrophobicContact CD1-CD2 4.08Å; L835-Y841 HydrophobicContact CD1-CE2 4.39Å; L835-Y841 HydrophobicContact CD2-CD1 4.02Å; L835-Y841 HydrophobicContact CD2-CD2 4.03Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 3.92Å; L835-Y841 HydrophobicContact CD2-CG 4.08Å; L835-Y841 HydrophobicContact CG-CD2 4.31Å; L835-Y841 HydrophobicContact CG-CE2 4.17Å; L835-T864 HydrophobicContact CB-CG2 3.33Å; L835-T864 HydrophobicContact CD1-CG2 3.81Å; L835-T864 HydrophobicContact CG-CG2 4.22Å |
| 836 | L | 82.3 | Confident | 89.1 | Confident | 97 Ų | 97 | 71.1 Ų | 71.1 | 51% | 0.508 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -70 | 152 | 171.7 | -63.4 | 174.8 | 0 | 0 | 0 | 110.2 | T839 Y841 T864 | L836-T839 HydrophobicContact CB-CG2 4.31Å; L836-T839 WeakPolarHBondContact CB-OG1 3.32Å; L836-Y841 WeakPolarHBondContact CB-OH 3.25Å; L836-Y841 PolarHBondContact N-OH 3.41Å; L836-T864 WeakPolarHBondContact O-CB 3.4Å; L836-T864 WeakPolarHBondContact O-CG2 3.22Å; L836-T864 PolarHBondContact O-OG1 2.88Å |
| 837 | M | 77.3 | Confident | 89.2 | Confident | 129 Ų | 129 | 66.4 Ų | 66.4 | 64% | 0.635 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.9 | 152.6 | 179.4 | 71.4 | -171.8 | 78 | 0 | 0 | 111.9 | K786 T839 | K786-M837 WeakPolarHBondContact O-CA 3.34Å; K786-M837 WeakPolarHBondContact O-CB 3.37Å; M837-T839 PolarHBondContact O-N 2.85Å; M837-T839 PolarHBondContact O-OG1 2.89Å |
| 838 | S | 69 | Low | 89.2 | Confident | 88 Ų | 88 | 65.8 Ų | 65.8 | 62% | 0.615 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.3 | 21.2 | -178.1 | -160.1 | 0 | 0 | 0 | 0 | 115.4 | T864 | S838-T864 PolarHBondContact N-OG1 2.92Š|
| 839 | T | 78.6 | Confident | 89.1 | Confident | 41 Ų | 41 | 59 Ų | 59 | 25% | 0.252 | 28% | 0.282 | S | S | . | . | trans | -106.7 | 134.5 | -171.5 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | L836 M837 Y841 S863 T864 | L836-T839 HydrophobicContact CB-CG2 4.31Å; L836-T839 WeakPolarHBondContact CB-OG1 3.32Å; M837-T839 PolarHBondContact O-N 2.85Å; M837-T839 PolarHBondContact O-OG1 2.89Å; T839-Y841 HydrophobicContact CG2-CD2 4.42Å; T839-Y841 HydrophobicContact CG2-CE1 4.41Å; T839-Y841 HydrophobicContact CG2-CE2 3.67Å; T839-Y841 VanDerWaalsContact O-CD2 3.31Å; T839-Y841 WeakPolarHBondContact O-CD2 3.21Å; T839-S863 VanDerWaalsContact O-CA 3.27Å; T839-S863 WeakPolarHBondContact O-CA 3.36Å; T839-T864 PolarHBondContact N-OG1 3.21Å; T839-T864 PolarHBondContact O-N 3.11Å; T839-T864 VanDerWaalsContact O-N 3.1Å; T839-T864 PolarHBondContact O-OG1 3.44Å | ||
| 840 | E | 86.6 | Confident | 88.9 | Confident | 91 Ų | 91 | 61.9 Ų | 61.9 | 43% | 0.425 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 127.6 | 176.9 | -178 | -179.1 | 107 | 0 | 0 | 110.8 | R842 I861 | E840-R842 IonicContact OE1-CZ 3.96Å; E840-R842 VanDerWaalsContact OE1-CZ 3.26Å; E840-R842 IonicContact OE1-NE 2.65Å; E840-R842 PolarHBondContact OE1-NE 2.96Å; E840-R842 IonicContact OE1-NH2 3.87Å; E840-R842 PolarHBondContact OE1-NH2 3.03Å; E840-I861 HydrophobicContact CG-CG2 3.4Å; E840-I861 VanDerWaalsContact CG-CG2 3.4Å |
| 841 | Y | 89.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 64.2 Ų | 64.2 | 3% | 0.031 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 133.4 | 171.6 | -70 | -77.7 | 0 | 0 | 0 | 110.9 | M810 E813 L835 L836 T839 F843 A862 T864 | M810-Y841 HydrophobicContact CE-CD1 3.97Å; M810-Y841 HydrophobicContact CE-CE1 4.18Å; M810-Y841 HydrophobicContact CG-CD1 4.25Å; M810-Y841 HydrophobicContact SD-CD1 3.68Å; M810-Y841 HydrophobicContact SD-CE1 4.36Å; M810-Y841 HydrophobicContact SD-CG 4.25Å; E813-Y841 HydrophobicContact CG-CE1 4.42Å; E813-Y841 WeakPolarHBondContact OE1-CE1 3.36Å; E813-Y841 PolarHBondContact OE1-OH 3.1Å; L835-Y841 HydrophobicContact CB-CD2 4.17Å; L835-Y841 HydrophobicContact CB-CE2 3.63Å; L835-Y841 HydrophobicContact CD1-CD2 4.08Å; L835-Y841 HydrophobicContact CD1-CE2 4.39Å; L835-Y841 HydrophobicContact CD2-CD1 4.02Å; L835-Y841 HydrophobicContact CD2-CD2 4.03Å; L835-Y841 HydrophobicContact CD2-CE1 3.93Å; L835-Y841 HydrophobicContact CD2-CE2 3.92Å; L835-Y841 HydrophobicContact CD2-CG 4.08Å; L835-Y841 HydrophobicContact CG-CD2 4.31Å; L835-Y841 HydrophobicContact CG-CE2 4.17Å; L836-Y841 WeakPolarHBondContact CB-OH 3.25Å; L836-Y841 PolarHBondContact N-OH 3.41Å; T839-Y841 HydrophobicContact CG2-CD2 4.42Å; T839-Y841 HydrophobicContact CG2-CE1 4.41Å; T839-Y841 HydrophobicContact CG2-CE2 3.67Å; T839-Y841 VanDerWaalsContact O-CD2 3.31Å; T839-Y841 WeakPolarHBondContact O-CD2 3.21Å; Y841-F843 VanDerWaalsContact CB-CE2 3.45Å; Y841-F843 HydrophobicContact CG-CZ 4.44Å; Y841-A862 PolarHBondContact N-O 3.45Å; Y841-A862 PolarHBondContact O-N 3.26Å; Y841-T864 HydrophobicContact CD2-CG2 4.09Å; Y841-T864 HydrophobicContact CE2-CG2 3.95Å |
| 842 | R | 92.7 | Very high | 88.5 | Confident | 67 Ų | 67 | 60.3 Ų | 60.3 | 25% | 0.253 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 120.7 | -179.2 | -47.1 | -161 | -168.6 | 119.8 | -2.7 | 110.3 | M810 E811 E816 E840 I861 | M810-R842 CarbonylContact C-O 3.56Å; M810-R842 WeakPolarHBondContact CA-O 3.49Å; E811-R842 HydrophobicContact CB-CB 4.09Å; E811-R842 PolarHBondContact N-O 3.06Å; E811-R842 IonicContact OE1-NH1 2.68Å; E811-R842 WeakPolarHBondContact OE2-CD 3.22Å; E811-R842 WeakPolarHBondContact OE2-CG 3.43Å; E811-R842 IonicContact OE2-CZ 3.93Å; E811-R842 IonicContact OE2-NE 3.82Å; E811-R842 IonicContact OE2-NH1 3.18Å; E811-R842 PolarHBondContact OE2-NH1 2.87Å; E816-R842 IonicContact OE1-NH1 3.67Å; E840-R842 IonicContact OE1-CZ 3.96Å; E840-R842 VanDerWaalsContact OE1-CZ 3.26Å; E840-R842 IonicContact OE1-NE 2.65Å; E840-R842 PolarHBondContact OE1-NE 2.96Å; E840-R842 IonicContact OE1-NH2 3.87Å; E840-R842 PolarHBondContact OE1-NH2 3.03Å; R842-I861 HydrophobicContact CG-CG1 4.16Å |
| 843 | F | 94 | Very high | 88.4 | Confident | 0 Ų | 0 | 64.6 Ų | 64.6 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 144.4 | -175.6 | -59.9 | -83.3 | 0 | 0 | 0 | 111.8 | P779 L789 L791 L808 E809 M810 I832 Y841 L859 C860 A862 | P779-F843 HydrophobicContact CG-CB 4.4Å; L789-F843 HydrophobicContact CD1-CE2 3.58Å; L789-F843 HydrophobicContact CD1-CZ 3.86Å; L791-F843 HydrophobicContact CD1-CB 4.39Å; L791-F843 HydrophobicContact CD1-CD1 3.75Å; L791-F843 HydrophobicContact CD1-CD2 3.99Å; L791-F843 HydrophobicContact CD1-CE1 3.97Å; L791-F843 HydrophobicContact CD1-CE2 4.2Å; L791-F843 HydrophobicContact CD1-CG 3.76Å; L791-F843 HydrophobicContact CD1-CZ 4.19Å; L808-F843 HydrophobicContact CD1-CB 4.21Å; E809-F843 CarbonylContact O-C 3.33Å; E809-F843 VanDerWaalsContact O-CA 3.26Å; E809-F843 WeakPolarHBondContact O-CA 3.31Å; M810-F843 HydrophobicContact CB-CD1 3.86Å; M810-F843 HydrophobicContact CB-CE1 3.8Å; M810-F843 HydrophobicContact CG-CD1 3.89Å; M810-F843 HydrophobicContact CG-CE1 3.48Å; M810-F843 VanDerWaalsContact CG-CE1 3.48Å; M810-F843 HydrophobicContact CG-CZ 4.03Å; M810-F843 HydrophobicContact SD-CE1 3.68Å; M810-F843 HydrophobicContact SD-CZ 3.99Å; I832-F843 HydrophobicContact CB-CE1 4.49Å; I832-F843 HydrophobicContact CG1-CE1 4.03Å; I832-F843 HydrophobicContact CG2-CE1 4.33Å; Y841-F843 VanDerWaalsContact CB-CE2 3.45Å; Y841-F843 HydrophobicContact CG-CZ 4.44Å; F843-L859 WeakPolarHBondContact O-CA 3.4Å; F843-C860 HydrophobicContact CB-CB 4.27Å; F843-C860 PolarHBondContact N-O 2.92Å; F843-C860 PolarHBondContact O-N 3.36Å; F843-A862 HydrophobicContact CD2-CB 4.31Å; F843-A862 HydrophobicContact CE2-CB 4.19Å |
| 844 | R | 94.6 | Very high | 88.6 | Confident | 63 Ų | 63 | 58.8 Ų | 58.8 | 24% | 0.238 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.3 | 146.4 | 170.9 | 69.5 | -177.5 | -168 | -168.6 | 2.5 | 111.4 | E809 F819 Y856 L859 | E809-R844 HydrophobicContact CB-CG 4.01Å; E809-R844 PolarHBondContact N-O 3.44Å; E809-R844 PolarHBondContact O-N 2.84Å; E809-R844 IonicContact OE2-CZ 3.85Å; E809-R844 IonicContact OE2-NE 3.17Å; E809-R844 PolarHBondContact OE2-NE 3.4Å; E809-R844 IonicContact OE2-NH2 2.82Å; E809-R844 PolarHBondContact OE2-NH2 3.3Å; F819-R844 HydrophobicContact CD1-CG 3.81Å; F819-R844 VanDerWaalsContact CD2-CZ 3.5Å; F819-R844 HydrophobicContact CE1-CG 4.03Å; F819-R844 HydrophobicContact CG-CG 4.45Å; F819-R844 VanDerWaalsContact CG-CZ 3.44Å; R844-Y856 HydrophobicContact CB-CD1 4.48Å; R844-Y856 HydrophobicContact CG-CD1 3.81Å; R844-Y856 HydrophobicContact CG-CG 4.19Å; R844-L859 HydrophobicContact CB-CD2 4.19Å |
| 845 | L | 95.6 | Very high | 88.8 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 134.8 | -170 | 179.1 | 73.6 | 0 | 0 | 0 | 110.7 | P776 P779 W793 L807 L808 Y856 S857 | P776-L845 HydrophobicContact CB-CD2 3.97Å; P776-L845 HydrophobicContact CB-CG 4.38Å; P776-L845 HydrophobicContact CG-CB 4.33Å; P776-L845 HydrophobicContact CG-CD2 4.14Å; P776-L845 HydrophobicContact CG-CG 4.01Å; P776-L845 WeakPolarHBondContact CG-O 3.47Å; P779-L845 HydrophobicContact CG-CB 4.42Å; W793-L845 HydrophobicContact CB-CD2 3.41Å; W793-L845 VanDerWaalsContact CB-CD2 3.41Å; W793-L845 HydrophobicContact CD2-CD1 3.89Å; W793-L845 HydrophobicContact CD2-CD2 3.77Å; W793-L845 HydrophobicContact CE3-CD1 4.3Å; W793-L845 HydrophobicContact CE3-CD2 4.4Å; W793-L845 HydrophobicContact CG-CD1 4.25Å; W793-L845 HydrophobicContact CG-CD2 3.31Å; W793-L845 HydrophobicContact CG-CG 4.43Å; W793-L845 HydrophobicContact CH2-CD1 4.47Å; W793-L845 HydrophobicContact CZ2-CD1 4.09Å; L807-L845 CarbonylContact O-C 3.55Å; L807-L845 WeakPolarHBondContact O-CA 3.44Å; L808-L845 HydrophobicContact CB-CD1 4.19Å; L808-L845 HydrophobicContact CD1-CB 4.38Å; L808-L845 HydrophobicContact CD1-CD1 4.26Å; L845-Y856 CarbonylContact O-C 3.59Å; L845-Y856 VanDerWaalsContact O-CA 3.27Å; L845-Y856 WeakPolarHBondContact O-CA 3.27Å; L845-S857 PolarHBondContact N-OG 3.1Å; L845-S857 PolarHBondContact O-N 3.32Å |
| 846 | A | 95.2 | Very high | 89.1 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 154.9 | 167 | 0 | 0 | 0 | 0 | 0 | 110.9 | Y806 L807 Y856 | Y806-A846 CarbonylContact C-O 3.59Å; Y806-A846 WeakPolarHBondContact CA-O 3.21Å; L807-A846 HydrophobicContact CB-CB 4.44Å; L807-A846 PolarHBondContact N-O 2.93Å; L807-A846 PolarHBondContact O-N 2.86Å; A846-Y856 HydrophobicContact CB-CD1 3.66Å; A846-Y856 HydrophobicContact CB-CE1 3.83Å; A846-Y856 HydrophobicContact CB-CG 4.21Å |
| 847 | A | 94.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 145 | 171.6 | 0 | 0 | 0 | 0 | 0 | 110 | P773 P796 I803 Y806 K853 S854 | P773-A847 HydrophobicContact CB-CB 4.06Å; P773-A847 HydrophobicContact CG-CB 4.28Å; P796-A847 HydrophobicContact CG-CB 3.55Å; I803-A847 HydrophobicContact CD1-CB 4.24Å; I803-A847 HydrophobicContact CG2-CB 4.24Å; Y806-A847 HydrophobicContact CD1-CB 4.17Å; Y806-A847 HydrophobicContact CE1-CB 4.28Å; A847-K853 CarbonylContact O-C 3.6Å; A847-K853 WeakPolarHBondContact O-CA 3.4Å; A847-S854 PolarHBondContact N-OG 3.08Å; A847-S854 PolarHBondContact O-N 2.86Å; A847-S854 PolarHBondContact O-OG 2.8Å |
| 848 | K | 93 | Very high | 90.2 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 43% | 0.43 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 121.4 | -178.3 | -177.1 | 177.3 | 178.3 | 178.7 | 0 | 111.1 | I803 M804 A805 G852 | I803-K848 CarbonylContact C-O 3.52Å; M804-K848 PolarHBondContact N-O 2.99Å; A805-K848 PolarHBondContact N-O 2.78Å; A805-K848 PolarHBondContact O-N 3.11Å; K848-G852 CarbonylContact C-O 3.56Å; K848-G852 VanDerWaalsContact CA-O 3.3Å; K848-G852 WeakPolarHBondContact CA-O 3.41Å |
| 849 | N | 91.8 | Very high | 91.2 | Very high | 2 Ų | 2 | 52.1 Ų | 52.1 | 1% | 0.011 | 25% | 0.253 | C | S | . | . | trans | -108.2 | -163.9 | 167.4 | 70.6 | 9.3 | 0 | 0 | 0 | 110.8 | T771 P773 D798 S801 K802 C851 G852 | T771-N849 PolarHBondContact O-ND2 3.09Å; P773-N849 HydrophobicContact CG-CB 3.85Å; D798-N849 PolarHBondContact O-ND2 2.82Å; S801-N849 WeakPolarHBondContact O-CB 3.46Å; S801-N849 PolarHBondContact O-ND2 2.92Å; S801-N849 VanDerWaalsContact O-ND2 3.1Å; K802-N849 WeakPolarHBondContact O-CB 3.22Å; N849-C851 WeakPolarHBondContact OD1-CA 3.41Å; N849-C851 VanDerWaalsContact OD1-CB 3.32Å; N849-C851 WeakPolarHBondContact OD1-CB 3.44Å; N849-C851 PolarHBondContact OD1-N 3.37Å; N849-G852 PolarHBondContact N-O 3.38Å; N849-G852 PolarHBondContact OD1-N 3.3Å; N849-G852 VanDerWaalsContact OD1-N 3.14Å; N849-G852 PolarHBondContact OD1-O 3.13Å | ||
| 850 | Q | 89.3 | Confident | 91.7 | Very high | 157 Ų | 157 | 50.8 Ų | 50.8 | 73% | 0.734 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -74 | -25 | 179.7 | -58.5 | 170.8 | -39.5 | 0 | 0 | 113.1 | S801 M804 | S801-Q850 VanDerWaalsContact OG-CB 3.32Å; S801-Q850 WeakPolarHBondContact OG-CB 3.18Å; S801-Q850 WeakPolarHBondContact OG-CG 3.37Å; S801-Q850 PolarHBondContact OG-N 2.9Å; S801-Q850 PolarHBondContact OG-OE1 3.39Å; S801-Q850 VanDerWaalsContact OG-OE1 3.13Å; M804-Q850 HydrophobicContact SD-CB 4.47Å; M804-Q850 HydrophobicContact SD-CG 3.67Å |
| 851 | C | 87.4 | Confident | 91.8 | Very high | 57 Ų | 57 | 50.9 Ų | 50.9 | 39% | 0.385 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -72.8 | -36.4 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | F772 N849 | F772-C851 HydrophobicContact CD1-CB 4.29Å; F772-C851 WeakPolarHBondContact CE1-O 3.15Å; N849-C851 WeakPolarHBondContact OD1-CA 3.41Å; N849-C851 VanDerWaalsContact OD1-CB 3.32Å; N849-C851 WeakPolarHBondContact OD1-CB 3.44Å; N849-C851 PolarHBondContact OD1-N 3.37Å |
| 852 | G | 88.7 | Confident | 91.5 | Very high | 16 Ų | 16 | 50.7 Ų | 50.7 | 17% | 0.165 | 25% | 0.248 | C | C | . | . | trans | 158.3 | -155.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K848 N849 | K848-G852 CarbonylContact C-O 3.56Å; K848-G852 VanDerWaalsContact CA-O 3.3Å; K848-G852 WeakPolarHBondContact CA-O 3.41Å; N849-G852 PolarHBondContact N-O 3.38Å; N849-G852 PolarHBondContact OD1-N 3.3Å; N849-G852 VanDerWaalsContact OD1-N 3.14Å; N849-G852 PolarHBondContact OD1-O 3.13Å | ||
| 853 | K | 91.6 | Very high | 91.1 | Very high | 104 Ų | 104 | 49.5 Ų | 49.5 | 45% | 0.452 | 25% | 0.25 | S | S | . | . | B | Isolated β-bridge | trans | -88 | 147.5 | 170.9 | 70.7 | 174.2 | -170.8 | 176.9 | 0 | 111.1 | A847 Y856 | A847-K853 CarbonylContact O-C 3.6Å; A847-K853 WeakPolarHBondContact O-CA 3.4Å; K853-Y856 PolarHBondContact NZ-OH 3.03Å |
| 854 | S | 93.1 | Very high | 90.3 | Very high | 6 Ų | 6 | 49.5 Ų | 49.5 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 171 | 163.5 | 69 | 0 | 0 | 0 | 0 | 110.7 | P773 P776 A847 | P773-S854 WeakPolarHBondContact O-CB 3.45Å; P776-S854 WeakPolarHBondContact CD-OG 3.25Å; A847-S854 PolarHBondContact N-OG 3.08Å; A847-S854 PolarHBondContact O-N 2.86Å; A847-S854 PolarHBondContact O-OG 2.8Å |
| 855 | D | 92.8 | Very high | 89 | Confident | 126 Ų | 126 | 47.2 Ų | 47.2 | 67% | 0.674 | 24% | 0.244 | S | C | * | . | P | Polyproline II helix | trans | -59.1 | 157.4 | 155 | -62 | -56.1 | 0 | 0 | 0 | 110.8 | K775 P776 | K775-D855 HydrophobicContact CB-CB 4.44Å; K775-D855 HydrophobicContact CD-CB 4.49Å; P776-D855 WeakPolarHBondContact CD-O 3.2Å |
| 856 | Y | 94 | Very high | 87.4 | Confident | 48 Ų | 48 | 47.5 Ų | 47.5 | 19% | 0.188 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -75.1 | 151 | 173.5 | -61.7 | -90.7 | 0 | 0 | 0 | 110.9 | K775 E809 R844 L845 A846 K853 | K775-Y856 VanDerWaalsContact CD-O 3.28Å; K775-Y856 WeakPolarHBondContact CD-O 3.43Å; K775-Y856 WeakPolarHBondContact CE-O 3.35Å; K775-Y856 WeakPolarHBondContact CG-O 3.33Å; K775-Y856 PolarHBondContact NZ-O 2.84Å; E809-Y856 HydrophobicContact CG-CE1 4.16Å; E809-Y856 WeakPolarHBondContact OE1-CE1 3.42Å; E809-Y856 PolarHBondContact OE1-OH 3.39Å; E809-Y856 VanDerWaalsContact OE2-CE1 3.32Å; E809-Y856 WeakPolarHBondContact OE2-CE1 3.43Å; R844-Y856 HydrophobicContact CB-CD1 4.48Å; R844-Y856 HydrophobicContact CG-CD1 3.81Å; R844-Y856 HydrophobicContact CG-CG 4.19Å; L845-Y856 CarbonylContact O-C 3.59Å; L845-Y856 VanDerWaalsContact O-CA 3.27Å; L845-Y856 WeakPolarHBondContact O-CA 3.27Å; A846-Y856 HydrophobicContact CB-CD1 3.66Å; A846-Y856 HydrophobicContact CB-CE1 3.83Å; A846-Y856 HydrophobicContact CB-CG 4.21Å; K853-Y856 PolarHBondContact NZ-OH 3.03Å |
| 857 | S | 93.8 | Very high | 85.9 | Confident | 7 Ų | 7 | 50.3 Ų | 50.3 | 5% | 0.049 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -54.8 | 165.9 | 170 | 70.7 | 0 | 0 | 0 | 0 | 112.2 | K775 P776 L845 | K775-S857 VanDerWaalsContact CE-C 3.49Å; P776-S857 WeakPolarHBondContact O-CA 3.49Å; P776-S857 WeakPolarHBondContact O-CB 3.19Å; L845-S857 PolarHBondContact N-OG 3.1Å; L845-S857 PolarHBondContact O-N 3.32Å |
| 858 | E | 89.9 | Confident | 84.6 | Confident | 116 Ų | 116 | 52 Ų | 52 | 54% | 0.542 | 28% | 0.284 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 160.1 | 158.5 | -43.7 | -50.2 | 163.5 | 0 | 0 | 110.1 | K775 P778 C860 | K775-E858 VanDerWaalsContact CE-OE1 3.24Å; K775-E858 WeakPolarHBondContact CE-OE1 3.31Å; K775-E858 IonicContact NZ-OE1 3.39Å; K775-E858 PolarHBondContact NZ-OE1 2.89Å; K775-E858 IonicContact NZ-OE2 3.55Å; K775-E858 PolarHBondContact NZ-OE2 2.76Å; P778-E858 HydrophobicContact CG-CB 3.92Å; E858-C860 PolarHBondContact O-N 2.83Å |
| 859 | L | 90.1 | Very high | 83.7 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 45% | 0.45 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 123.7 | -179.4 | -60.2 | -179.9 | 0 | 0 | 0 | 110.5 | F819 F843 R844 I861 | F819-L859 HydrophobicContact CE1-CD2 3.95Å; F819-L859 HydrophobicContact CZ-CD2 3.67Å; F843-L859 WeakPolarHBondContact O-CA 3.4Å; R844-L859 HydrophobicContact CB-CD2 4.19Å; L859-I861 HydrophobicContact CB-CG1 4.36Å |
| 860 | C | 88.5 | Confident | 83.1 | Confident | 14 Ų | 14 | 53 Ų | 53 | 10% | 0.095 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 104.9 | 158.1 | 166.8 | 0 | 0 | 0 | 0 | 107.1 | P778 P779 F843 E858 | P778-C860 HydrophobicContact CB-CB 4.34Å; P779-C860 HydrophobicContact CG-CB 3.66Å; P779-C860 WeakPolarHBondContact O-CB 3.49Å; P779-C860 PolarHBondContact O-SG 3.33Å; F843-C860 HydrophobicContact CB-CB 4.27Å; F843-C860 PolarHBondContact N-O 2.92Å; F843-C860 PolarHBondContact O-N 3.36Å; E858-C860 PolarHBondContact O-N 2.83Å |
| 861 | I | 89.3 | Confident | 83 | Confident | 92 Ų | 92 | 50 Ų | 50 | 47% | 0.472 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.9 | 128.3 | 168.7 | -56.8 | -176.2 | 0 | 0 | 0 | 107.2 | E840 R842 L859 | E840-I861 HydrophobicContact CG-CG2 3.4Å; E840-I861 VanDerWaalsContact CG-CG2 3.4Å; R842-I861 HydrophobicContact CG-CG1 4.16Å; L859-I861 HydrophobicContact CB-CG1 4.36Å |
| 862 | A | 82.5 | Confident | 83.1 | Confident | 4 Ų | 4 | 48.1 Ų | 48.1 | 3% | 0.033 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 117.3 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | V781 L789 Y841 F843 | V781-A862 HydrophobicContact CG2-CB 3.48Å; V781-A862 VanDerWaalsContact CG2-CB 3.48Å; L789-A862 HydrophobicContact CD1-CB 3.9Å; L789-A862 WeakPolarHBondContact CD1-O 3.37Å; Y841-A862 PolarHBondContact N-O 3.45Å; Y841-A862 PolarHBondContact O-N 3.26Å; F843-A862 HydrophobicContact CD2-CB 4.31Å; F843-A862 HydrophobicContact CE2-CB 4.19Å |
| 863 | S | 83 | Confident | 83.1 | Confident | 42 Ų | 42 | 54.1 Ų | 54.1 | 29% | 0.294 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.1 | 140.4 | 171.1 | -57.1 | 0 | 0 | 0 | 0 | 111.2 | T839 | T839-S863 VanDerWaalsContact O-CA 3.27Å; T839-S863 WeakPolarHBondContact O-CA 3.36Å |
| 864 | T | 78.7 | Confident | 83.1 | Confident | 1 Ų | 1 | 51.4 Ų | 51.4 | 1% | 0.006 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -55.3 | 157.6 | 160.9 | 50.6 | 0 | 0 | 0 | 0 | 111.2 | L835 L836 S838 T839 Y841 G866 | L835-T864 HydrophobicContact CB-CG2 3.33Å; L835-T864 HydrophobicContact CD1-CG2 3.81Å; L835-T864 HydrophobicContact CG-CG2 4.22Å; L836-T864 WeakPolarHBondContact O-CB 3.4Å; L836-T864 WeakPolarHBondContact O-CG2 3.22Å; L836-T864 PolarHBondContact O-OG1 2.88Å; S838-T864 PolarHBondContact N-OG1 2.92Å; T839-T864 PolarHBondContact N-OG1 3.21Å; T839-T864 PolarHBondContact O-N 3.11Å; T839-T864 VanDerWaalsContact O-N 3.1Å; T839-T864 PolarHBondContact O-OG1 3.44Å; Y841-T864 HydrophobicContact CD2-CG2 4.09Å; Y841-T864 HydrophobicContact CE2-CG2 3.95Å; T864-G866 PolarHBondContact O-N 2.95Å |
| 865 | S | 66.4 | Low | 83.1 | Confident | 14 Ų | 14 | 51.1 Ų | 51.1 | 10% | 0.098 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 127.4 | 172.4 | -163.4 | 0 | 0 | 0 | 0 | 110.8 | M785 K786 D942 | M785-S865 PolarHBondContact O-N 2.88Å; K786-S865 WeakPolarHBondContact CA-O 3.12Å; S865-D942 VanDerWaalsContact CA-CG 3.46Å; S865-D942 WeakPolarHBondContact CA-OD1 3.31Å; S865-D942 WeakPolarHBondContact CA-OD2 3.36Å; S865-D942 WeakPolarHBondContact CB-OD1 3.36Å; S865-D942 WeakPolarHBondContact OG-CB 3.37Å; S865-D942 PolarHBondContact OG-OD1 3.46Å |
| 866 | G | 61.8 | Low | 83.2 | Confident | 6 Ų | 6 | 50.9 Ų | 50.9 | 6% | 0.062 | 28% | 0.28 | C | S | . | . | trans | -78.3 | -143.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K786 T864 D942 | K786-G866 WeakPolarHBondContact CE-O 3.5Å; T864-G866 PolarHBondContact O-N 2.95Å; G866-D942 PolarHBondContact N-OD2 3.45Å | ||
| 867 | A | 64.1 | Low | 83.2 | Confident | 59 Ų | 59 | 51.8 Ų | 51.8 | 49% | 0.488 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -93.6 | 149 | 154 | 0 | 0 | 0 | 0 | 0 | 108.4 | N940 | A867-N940 PolarHBondContact O-ND2 3.41Š|
| 868 | A | 66.2 | Low | 83.2 | Confident | 35 Ų | 35 | 55.9 Ų | 55.9 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | P | Polyproline II helix | trans | -54.8 | 149.1 | 151 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||
| 869 | P | 74.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 54.2 Ų | 54.2 | 7% | 0.065 | 30% | 0.3 | C | S | . | . | P | Polyproline II helix | trans | -59.1 | 153.5 | -172.8 | -20.6 | 32.7 | 0 | 0 | 0 | 111.3 | A894 A938 N940 G943 A945 | P869-A894 HydrophobicContact CB-CB 4.2Å; P869-A894 HydrophobicContact CG-CB 3.7Å; P869-A938 HydrophobicContact CB-CB 3.94Å; P869-A938 HydrophobicContact CG-CB 4.23Å; P869-N940 HydrophobicContact CG-CB 4.25Å; P869-G943 VanDerWaalsContact CD-O 3.25Å; P869-G943 WeakPolarHBondContact CD-O 3.38Å; P869-A945 HydrophobicContact CB-CB 4.22Å; P869-A945 WeakPolarHBondContact O-CA 3.25Å; P869-A945 WeakPolarHBondContact O-CB 3.33Å |
| 870 | C | 79.8 | Confident | 83.4 | Confident | 113 Ų | 113 | 51.2 Ų | 51.2 | 76% | 0.764 | 29% | 0.287 | S | S | * | . | P | Polyproline II helix | trans | -62.4 | 159 | 169.3 | -68.8 | 0 | 0 | 0 | 0 | 109.8 | P872 A945 | C870-P872 WeakPolarHBondContact O-CD 3.14Å; C870-A945 WeakPolarHBondContact O-CB 3.24Å |
| 871 | Q | 87.4 | Confident | 83.4 | Confident | 95 Ų | 95 | 54 Ų | 54 | 44% | 0.444 | 30% | 0.298 | S | S | . | . | P | Polyproline II helix | trans | -51.2 | 117.7 | 171 | -174.3 | -175.2 | 4.8 | 0 | 0 | 108.2 | P946 P947 D949 | Q871-P946 HydrophobicContact CB-CB 4.24Å; Q871-P946 HydrophobicContact CB-CG 4.4Å; Q871-P946 HydrophobicContact CG-CB 4.23Å; Q871-P947 VanDerWaalsContact CG-O 3.3Å; Q871-P947 WeakPolarHBondContact CG-O 3.24Å; Q871-P947 PolarHBondContact NE2-O 2.84Å; Q871-D949 PolarHBondContact NE2-OD1 2.95Å; Q871-D949 VanDerWaalsContact NE2-OD1 3.07Å |
| 872 | P | 89.1 | Confident | 83.4 | Confident | 16 Ų | 16 | 50.5 Ų | 50.5 | 10% | 0.104 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -70.3 | 151.1 | -177.9 | 28.3 | -32.8 | 0 | 0 | 0 | 109.8 | C870 L936 A938 P946 S948 | C870-P872 WeakPolarHBondContact O-CD 3.14Å; P872-L936 HydrophobicContact CB-CD2 4.17Å; P872-L936 HydrophobicContact CG-CB 4.14Å; P872-L936 HydrophobicContact CG-CD2 4.36Å; P872-L936 HydrophobicContact CG-CG 4.4Å; P872-L936 WeakPolarHBondContact CG-O 3.37Å; P872-A938 HydrophobicContact CB-CB 4.27Å; P872-A938 HydrophobicContact CG-CB 4.07Å; P872-P946 WeakPolarHBondContact CD-O 3.19Å; P872-S948 WeakPolarHBondContact O-CA 3.38Å; P872-S948 WeakPolarHBondContact O-CB 3.3Å |
| 873 | E | 89.3 | Confident | 83.7 | Confident | 143 Ų | 143 | 54.3 Ų | 54.3 | 67% | 0.668 | 30% | 0.303 | S | S | * | . | P | Polyproline II helix | trans | -61.1 | 150.5 | 169.3 | -64.3 | -168.6 | 168.2 | 0 | 0 | 110.3 | ||
| 874 | P | 90.9 | Very high | 84.2 | Confident | 47 Ų | 47 | 53.5 Ų | 53.5 | 31% | 0.305 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 140 | 178.1 | -24.1 | 34.8 | 0 | 0 | 0 | 111.6 | W876 D949 I951 | P874-W876 PolarHBondContact O-N 2.9Å; P874-D949 HydrophobicContact CG-CB 4.01Å; P874-I951 HydrophobicContact CB-CB 3.97Å; P874-I951 HydrophobicContact CB-CD1 4.23Å; P874-I951 HydrophobicContact CB-CG2 4.06Å |
| 875 | P | 93.3 | Very high | 85 | Confident | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 135 | 179.9 | 27.7 | -34 | 0 | 0 | 0 | 109.9 | L887 G888 W889 L899 F934 I951 F953 | P875-L887 HydrophobicContact CB-CB 4.43Å; P875-L887 HydrophobicContact CG-CD1 4.43Å; P875-G888 CarbonylContact C-O 3.59Å; P875-G888 VanDerWaalsContact CA-O 3.25Å; P875-G888 WeakPolarHBondContact CA-O 3.3Å; P875-W889 HydrophobicContact CB-CE3 4.03Å; P875-L899 HydrophobicContact CG-CD1 4.06Å; P875-F934 HydrophobicContact CG-CB 4.26Å; P875-I951 HydrophobicContact CG-CG2 4.09Å; P875-F953 WeakPolarHBondContact O-CE2 3.15Å; P875-F953 WeakPolarHBondContact O-CZ 3.45Å |
| 876 | W | 94.6 | Very high | 86.3 | Confident | 120 Ų | 120 | 53.7 Ų | 53.7 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 159.3 | 175.6 | 65.2 | 79.9 | 0 | 0 | 0 | 111.5 | P874 L887 G888 W889 Q890 | P874-W876 PolarHBondContact O-N 2.9Å; W876-L887 CarbonylContact O-C 3.59Å; W876-L887 WeakPolarHBondContact O-CA 3.32Å; W876-G888 PolarHBondContact N-O 2.96Å; W876-G888 PolarHBondContact O-N 3.18Å; W876-W889 VanDerWaalsContact CZ3-C 3.47Å; W876-Q890 HydrophobicContact CH2-CB 4.21Å; W876-Q890 VanDerWaalsContact CH2-N 3.32Å; W876-Q890 HydrophobicContact CZ3-CB 4.1Å; W876-Q890 VanDerWaalsContact CZ3-N 3.26Å |
| 877 | L | 94.9 | Very high | 87.9 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 35% | 0.351 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 122.5 | 174 | -179.6 | 62.1 | 0 | 0 | 0 | 110 | E879 A880 L885 L887 F953 | L877-E879 WeakPolarHBondContact CD1-O 3.36Å; L877-A880 HydrophobicContact CD1-CB 4.15Å; L877-A880 HydrophobicContact CD2-CB 4.02Å; L877-L885 HydrophobicContact CD1-CD2 3.94Å; L877-L887 HydrophobicContact CB-CD2 4.4Å; L877-L887 HydrophobicContact CD1-CD2 3.79Å; L877-F953 HydrophobicContact CB-CD1 3.94Å; L877-F953 HydrophobicContact CB-CE1 3.72Å; L877-F953 HydrophobicContact CB-CE2 4.38Å; L877-F953 HydrophobicContact CB-CG 4.37Å; L877-F953 HydrophobicContact CB-CZ 3.95Å; L877-F953 HydrophobicContact CD2-CD1 4.2Å |
| 878 | I | 93.6 | Very high | 89.3 | Confident | 94 Ų | 94 | 50.6 Ų | 50.6 | 48% | 0.482 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | -47.7 | 171.4 | -62.4 | 173.8 | 0 | 0 | 0 | 109.7 | T886 | I878-T886 WeakPolarHBondContact CA-O 3.47Å; I878-T886 HydrophobicContact CB-CG2 4.14Å; I878-T886 WeakPolarHBondContact CB-O 3.44Å; I878-T886 HydrophobicContact CD1-CG2 4.44Å; I878-T886 HydrophobicContact CG2-CG2 4.39Å; I878-T886 PolarHBondContact N-O 3.45Å |
| 879 | E | 91.9 | Very high | 90.6 | Very high | 81 Ų | 81 | 49.2 Ų | 49.2 | 38% | 0.379 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 132.4 | -177.4 | -176.1 | -161.3 | -148.9 | 0 | 0 | 109.3 | L877 K881 T886 | L877-E879 WeakPolarHBondContact CD1-O 3.36Å; E879-K881 WeakPolarHBondContact OE1-CE 3.47Å; E879-K881 IonicContact OE1-NZ 3.52Å; E879-K881 PolarHBondContact OE1-NZ 3.26Å; E879-K881 IonicContact OE2-NZ 3.51Å; E879-K881 PolarHBondContact OE2-NZ 3.39Å; E879-T886 PolarHBondContact N-O 3.44Å; E879-T886 PolarHBondContact O-N 3Å; E879-T886 PolarHBondContact OE2-OG1 3.09Å |
| 880 | A | 91.9 | Very high | 91.2 | Very high | 22 Ų | 22 | 55.3 Ų | 55.3 | 18% | 0.182 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 138.8 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | L877 L885 L956 | L877-A880 HydrophobicContact CD1-CB 4.15Å; L877-A880 HydrophobicContact CD2-CB 4.02Å; A880-L885 HydrophobicContact CB-CD2 3.56Å; A880-L956 HydrophobicContact CB-CD1 4.49Å; A880-L956 HydrophobicContact CB-CD2 4.04Å; A880-L956 HydrophobicContact CB-CG 3.85Å; A880-L956 VanDerWaalsContact O-CD1 3.23Å; A880-L956 WeakPolarHBondContact O-CD1 3.41Å |
| 881 | K | 89.2 | Confident | 91.4 | Very high | 73 Ų | 73 | 58.3 Ų | 58.3 | 32% | 0.317 | 28% | 0.279 | S | S | . | . | trans | -124.1 | -171.8 | 161.5 | -51.9 | -164.2 | 174.3 | 83.5 | 0 | 108.6 | E879 Q884 T955 L956 | E879-K881 WeakPolarHBondContact OE1-CE 3.47Å; E879-K881 IonicContact OE1-NZ 3.52Å; E879-K881 PolarHBondContact OE1-NZ 3.26Å; E879-K881 IonicContact OE2-NZ 3.51Å; E879-K881 PolarHBondContact OE2-NZ 3.39Å; K881-Q884 CarbonylContact C-O 3.54Å; K881-Q884 HydrophobicContact CB-CG 3.7Å; K881-Q884 HydrophobicContact CD-CG 3.87Å; K881-Q884 HydrophobicContact CG-CG 3.84Å; K881-Q884 PolarHBondContact N-O 2.99Å; K881-Q884 VanDerWaalsContact NZ-NE2 3.13Å; K881-T955 WeakPolarHBondContact O-CA 3.44Å; K881-L956 PolarHBondContact O-N 3.05Å | ||
| 882 | A | 87.4 | Confident | 90.8 | Very high | 19 Ų | 19 | 55.8 Ų | 55.8 | 16% | 0.157 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -80 | -31.8 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R928 T955 L956 T958 | A882-R928 HydrophobicContact CB-CB 3.91Å; A882-R928 WeakPolarHBondContact O-CA 3.48Å; A882-R928 WeakPolarHBondContact O-CB 3.38Å; A882-R928 PolarHBondContact O-N 2.94Å; A882-T955 WeakPolarHBondContact O-CB 3.41Å; A882-L956 WeakPolarHBondContact CA-O 3.03Å; A882-L956 WeakPolarHBondContact CB-O 3.5Å; A882-T958 HydrophobicContact CB-CG2 3.38Å |
| 883 | D | 90.6 | Very high | 90 | Very high | 84 Ų | 84 | 62.3 Ų | 62.3 | 45% | 0.449 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -113 | -5.7 | -176.9 | 64.6 | -34.8 | 0 | 0 | 0 | 113.3 | Y924 N925 L926 | D883-Y924 CarbonylContact O-C 3.49Å; D883-N925 PolarHBondContact O-N 2.67Å; D883-L926 PolarHBondContact O-N 3.05Å |
| 884 | Q | 92.9 | Very high | 89.5 | Confident | 25 Ų | 25 | 55.9 Ų | 55.9 | 12% | 0.117 | 28% | 0.277 | C | S | . | . | trans | -143.3 | 150.9 | 178.1 | 59.6 | 162.9 | 85.8 | 0 | 0 | 113.9 | K881 T886 T922 V923 Y924 | K881-Q884 CarbonylContact C-O 3.54Å; K881-Q884 HydrophobicContact CB-CG 3.7Å; K881-Q884 HydrophobicContact CD-CG 3.87Å; K881-Q884 HydrophobicContact CG-CG 3.84Å; K881-Q884 PolarHBondContact N-O 2.99Å; K881-Q884 VanDerWaalsContact NZ-NE2 3.13Å; Q884-T886 PolarHBondContact NE2-OG1 3.42Å; Q884-T922 HydrophobicContact CB-CG2 3.9Å; Q884-T922 HydrophobicContact CG-CG2 4.29Å; Q884-T922 VanDerWaalsContact NE2-CG2 3.26Å; Q884-V923 CarbonylContact C-O 3.54Å; Q884-V923 WeakPolarHBondContact CA-O 3.43Å; Q884-V923 WeakPolarHBondContact CB-O 3.36Å; Q884-Y924 HydrophobicContact CB-CD1 4.07Å | ||
| 885 | L | 94.5 | Very high | 89.2 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 119.8 | 169.4 | -69.1 | 175.4 | 0 | 0 | 0 | 109 | L877 A880 L887 V923 L926 F934 F953 T955 | L877-L885 HydrophobicContact CD1-CD2 3.94Å; A880-L885 HydrophobicContact CB-CD2 3.56Å; L885-L887 HydrophobicContact CB-CD2 4.31Å; L885-V923 PolarHBondContact N-O 2.93Å; L885-V923 PolarHBondContact O-N 3.01Å; L885-L926 HydrophobicContact CB-CD1 3.89Å; L885-L926 HydrophobicContact CD1-CD1 3.81Å; L885-L926 HydrophobicContact CG-CD1 3.61Å; L885-F934 HydrophobicContact CD1-CE2 3.65Å; L885-F934 HydrophobicContact CD1-CZ 3.8Å; L885-F953 HydrophobicContact CD1-CB 3.91Å; L885-T955 HydrophobicContact CD1-CG2 4.22Å; L885-T955 HydrophobicContact CD2-CG2 4.29Å; L885-T955 HydrophobicContact CG-CG2 3.97Å |
| 886 | T | 94.6 | Very high | 89 | Confident | 18 Ų | 18 | 61 Ų | 61 | 11% | 0.11 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.2 | 108.3 | 174.6 | -48.6 | 0 | 0 | 0 | 0 | 108 | I878 E879 Q884 T922 | I878-T886 WeakPolarHBondContact CA-O 3.47Å; I878-T886 HydrophobicContact CB-CG2 4.14Å; I878-T886 WeakPolarHBondContact CB-O 3.44Å; I878-T886 HydrophobicContact CD1-CG2 4.44Å; I878-T886 HydrophobicContact CG2-CG2 4.39Å; I878-T886 PolarHBondContact N-O 3.45Å; E879-T886 PolarHBondContact N-O 3.44Å; E879-T886 PolarHBondContact O-N 3Å; E879-T886 PolarHBondContact OE2-OG1 3.09Å; Q884-T886 PolarHBondContact NE2-OG1 3.42Å; T886-T922 PolarHBondContact OG1-OG1 2.88Å |
| 887 | L | 95.4 | Very high | 88.9 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 151.8 | -179.3 | -55.2 | -171.2 | 0 | 0 | 0 | 111.2 | P875 W876 L877 L885 W889 L899 S920 Y921 F934 F953 | P875-L887 HydrophobicContact CB-CB 4.43Å; P875-L887 HydrophobicContact CG-CD1 4.43Å; W876-L887 CarbonylContact O-C 3.59Å; W876-L887 WeakPolarHBondContact O-CA 3.32Å; L877-L887 HydrophobicContact CB-CD2 4.4Å; L877-L887 HydrophobicContact CD1-CD2 3.79Å; L885-L887 HydrophobicContact CB-CD2 4.31Å; L887-W889 HydrophobicContact CB-CZ3 4.39Å; L887-L899 HydrophobicContact CD1-CD1 4.17Å; L887-L899 HydrophobicContact CD1-CD2 4.15Å; L887-S920 CarbonylContact O-C 3.52Å; L887-S920 WeakPolarHBondContact O-CA 3.06Å; L887-S920 VanDerWaalsContact O-CB 3.31Å; L887-S920 WeakPolarHBondContact O-CB 3.4Å; L887-Y921 PolarHBondContact N-O 3.08Å; L887-Y921 PolarHBondContact O-N 3.46Å; L887-F934 HydrophobicContact CD1-CB 4.16Å; L887-F934 HydrophobicContact CD1-CD1 3.58Å; L887-F934 HydrophobicContact CD1-CD2 3.96Å; L887-F934 HydrophobicContact CD1-CE1 3.88Å; L887-F934 HydrophobicContact CD1-CE2 4.23Å; L887-F934 HydrophobicContact CD1-CG 3.61Å; L887-F934 HydrophobicContact CD1-CZ 4.2Å; L887-F953 HydrophobicContact CD1-CD2 4.23Å; L887-F953 HydrophobicContact CD1-CE2 4.31Å; L887-F953 HydrophobicContact CD2-CD2 3.52Å; L887-F953 HydrophobicContact CD2-CE2 3.65Å; L887-F953 HydrophobicContact CD2-CG 4.42Å |
| 888 | G | 93.4 | Very high | 88.8 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 158.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | P875 W876 C919 | P875-G888 CarbonylContact C-O 3.59Å; P875-G888 VanDerWaalsContact CA-O 3.25Å; P875-G888 WeakPolarHBondContact CA-O 3.3Å; W876-G888 PolarHBondContact N-O 2.96Å; W876-G888 PolarHBondContact O-N 3.18Å; G888-C919 WeakPolarHBondContact CA-O 3.2Å |
| 889 | W | 93.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 49.5 Ų | 49.5 | 3% | 0.027 | 25% | 0.247 | C | C | . | . | trans | -150.6 | 158.4 | 175.1 | 48.7 | 91.3 | 0 | 0 | 0 | 110.8 | P875 W876 L887 Y897 L899 T916 E918 C919 L936 | P875-W889 HydrophobicContact CB-CE3 4.03Å; W876-W889 VanDerWaalsContact CZ3-C 3.47Å; L887-W889 HydrophobicContact CB-CZ3 4.39Å; W889-Y897 AromaticContact CD1-CD1 3.64Å; W889-Y897 AromaticContact CD1-CE1 3.82Å; W889-Y897 AromaticContact CD1-CG 3.95Å; W889-Y897 HydrophobicContact CZ2-CG 4.43Å; W889-Y897 AromaticContact NE1-CD1 3.38Å; W889-Y897 AromaticContact NE1-CD2 3.57Å; W889-Y897 AromaticContact NE1-CE1 3.91Å; W889-Y897 AromaticContact NE1-CG 3.19Å; W889-L899 HydrophobicContact CZ3-CD2 4.47Å; W889-T916 HydrophobicContact CH2-CG2 4.18Å; W889-T916 HydrophobicContact CZ2-CG2 3.8Å; W889-E918 VanDerWaalsContact CZ2-O 3.32Å; W889-E918 WeakPolarHBondContact CZ2-O 3.41Å; W889-E918 PolarHBondContact NE1-O 2.67Å; W889-C919 PolarHBondContact N-O 2.93Å; W889-C919 WeakPolarHBondContact O-CB 3.42Å; W889-L936 HydrophobicContact CB-CD2 3.59Å; W889-L936 HydrophobicContact CD2-CD1 3.91Å; W889-L936 HydrophobicContact CD2-CD2 3.77Å; W889-L936 HydrophobicContact CE3-CD1 4.07Å; W889-L936 HydrophobicContact CE3-CD2 4.44Å; W889-L936 HydrophobicContact CG-CD1 4.42Å; W889-L936 HydrophobicContact CG-CD2 3.37Å; W889-L936 HydrophobicContact CH2-CD1 4.32Å; W889-L936 HydrophobicContact CZ2-CD1 4.18Å; W889-L936 HydrophobicContact CZ3-CD1 4.27Å | ||
| 890 | Q | 86.8 | Confident | 89 | Confident | 137 Ų | 137 | 46.9 Ų | 46.9 | 64% | 0.64 | 24% | 0.235 | S | C | * | . | trans | -73 | 139.1 | -179.6 | -175.2 | 165.9 | -29.8 | 0 | 0 | 110.6 | W876 S892 | W876-Q890 HydrophobicContact CH2-CB 4.21Å; W876-Q890 VanDerWaalsContact CH2-N 3.32Å; W876-Q890 HydrophobicContact CZ3-CB 4.1Å; W876-Q890 VanDerWaalsContact CZ3-N 3.26Å; Q890-S892 PolarHBondContact O-N 3.29Å | ||
| 891 | R | 83.4 | Confident | 89.1 | Confident | 176 Ų | 176 | 47.8 Ų | 47.8 | 66% | 0.664 | 24% | 0.236 | S | C | * | . | trans | -67.2 | 118.8 | 173.2 | -163.7 | 173.5 | -172.7 | 106 | 4.8 | 109.6 | C919 | R891-C919 VanDerWaalsContact CB-SG 3.6Š| ||
| 892 | S | 74.6 | Confident | 89.3 | Confident | 43 Ų | 43 | 45.4 Ų | 45.4 | 30% | 0.301 | 23% | 0.226 | S | C | . | . | trans | -111.4 | -178.1 | 176.2 | 71.4 | 0 | 0 | 0 | 0 | 111.2 | Q890 A894 Y897 | Q890-S892 PolarHBondContact O-N 3.29Å; S892-A894 PolarHBondContact O-N 2.87Å; S892-Y897 PolarHBondContact N-OH 2.98Å; S892-Y897 PolarHBondContact O-OH 2.91Å; S892-Y897 PolarHBondContact OG-OH 2.7Å | ||
| 893 | D | 73.2 | Confident | 89.2 | Confident | 152 Ų | 152 | 46 Ų | 46 | 81% | 0.813 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -72.7 | 38.2 | 179 | -45.2 | -32 | 0 | 0 | 0 | 113.3 | N940 | D893-N940 PolarHBondContact O-ND2 2.89Š|
| 894 | A | 79.1 | Confident | 88.7 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 7% | 0.066 | 22% | 0.224 | C | C | . | . | trans | -121.3 | 137.2 | -173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | P869 S892 Y897 A938 S939 | P869-A894 HydrophobicContact CB-CB 4.2Å; P869-A894 HydrophobicContact CG-CB 3.7Å; S892-A894 PolarHBondContact O-N 2.87Å; A894-Y897 HydrophobicContact CB-CE1 4.08Å; A894-Y897 HydrophobicContact CB-CE2 4.46Å; A894-A938 HydrophobicContact CB-CB 3.82Å; A894-S939 CarbonylContact C-O 3.6Å; A894-S939 WeakPolarHBondContact CB-O 3.27Å | ||
| 895 | D | 83.4 | Confident | 87.9 | Confident | 86 Ų | 86 | 51 Ų | 51 | 46% | 0.46 | 25% | 0.251 | S | S | . | . | S | Bend | trans | -80.1 | -32.7 | -179.7 | -57 | -52.3 | 0 | 0 | 0 | 112.1 | Q917 S939 N940 E941 | D895-Q917 WeakPolarHBondContact O-CG 3.49Å; D895-S939 PolarHBondContact N-O 2.66Å; D895-N940 WeakPolarHBondContact OD2-CA 2.99Å; D895-N940 VanDerWaalsContact OD2-CB 3.23Å; D895-N940 WeakPolarHBondContact OD2-CB 3.43Å; D895-E941 PolarHBondContact OD2-N 2.68Å |
| 896 | E | 89.5 | Confident | 87 | Confident | 68 Ų | 68 | 53.1 Ų | 53.1 | 32% | 0.318 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142 | 134.3 | -174.6 | -176.7 | -176.9 | -85.9 | 0 | 0 | 111.7 | Q898 T915 S939 | E896-Q898 PolarHBondContact OE2-NE2 2.83Å; E896-T915 HydrophobicContact CG-CG2 3.51Å; E896-T915 VanDerWaalsContact OE1-CG2 3.31Å; E896-T915 WeakPolarHBondContact OE1-CG2 3.43Å; E896-T915 VanDerWaalsContact OE2-CG2 3.27Å; E896-T915 WeakPolarHBondContact OE2-CG2 3.31Å; E896-S939 PolarHBondContact N-O 2.87Å; E896-S939 PolarHBondContact O-N 2.92Å; E896-S939 PolarHBondContact O-OG 2.95Å; E896-S939 VanDerWaalsContact O-OG 3.04Å |
| 897 | Y | 93 | Very high | 86.1 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 0% | 0.004 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 128.1 | 174.2 | -59.3 | -89.6 | 0 | 0 | 0 | 110.5 | W889 S892 A894 T915 T916 L936 I937 A938 | W889-Y897 AromaticContact CD1-CD1 3.64Å; W889-Y897 AromaticContact CD1-CE1 3.82Å; W889-Y897 AromaticContact CD1-CG 3.95Å; W889-Y897 HydrophobicContact CZ2-CG 4.43Å; W889-Y897 AromaticContact NE1-CD1 3.38Å; W889-Y897 AromaticContact NE1-CD2 3.57Å; W889-Y897 AromaticContact NE1-CE1 3.91Å; W889-Y897 AromaticContact NE1-CG 3.19Å; S892-Y897 PolarHBondContact N-OH 2.98Å; S892-Y897 PolarHBondContact O-OH 2.91Å; S892-Y897 PolarHBondContact OG-OH 2.7Å; A894-Y897 HydrophobicContact CB-CE1 4.08Å; A894-Y897 HydrophobicContact CB-CE2 4.46Å; Y897-T915 WeakPolarHBondContact O-CA 3.38Å; Y897-T916 PolarHBondContact N-O 2.98Å; Y897-T916 PolarHBondContact O-N 2.99Å; Y897-L936 HydrophobicContact CD1-CD2 3.89Å; Y897-L936 HydrophobicContact CD1-CG 4.33Å; Y897-I937 WeakPolarHBondContact CA-O 3.42Å; Y897-A938 HydrophobicContact CD1-CB 4.12Å; Y897-A938 HydrophobicContact CE1-CB 4.03Å |
| 898 | Q | 93.8 | Very high | 85.4 | Confident | 39 Ų | 39 | 64.5 Ų | 64.5 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 108.7 | 174.6 | -62.7 | -177.1 | 3.1 | 0 | 0 | 108.7 | E896 F900 C914 T915 I937 | E896-Q898 PolarHBondContact OE2-NE2 2.83Å; Q898-F900 HydrophobicContact CB-CD2 4.43Å; Q898-F900 HydrophobicContact CB-CE2 3.78Å; Q898-C914 WeakPolarHBondContact CA-O 3.24Å; Q898-T915 HydrophobicContact CG-CG2 4.03Å; Q898-I937 HydrophobicContact CB-CB 4.37Å; Q898-I937 PolarHBondContact N-O 2.88Å; Q898-I937 PolarHBondContact O-N 3.5Å |
| 899 | L | 94.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 124 | 174.6 | -178.8 | 68 | 0 | 0 | 0 | 108.5 | P875 L887 W889 A913 C914 Y921 V923 F934 L936 | P875-L899 HydrophobicContact CG-CD1 4.06Å; L887-L899 HydrophobicContact CD1-CD1 4.17Å; L887-L899 HydrophobicContact CD1-CD2 4.15Å; W889-L899 HydrophobicContact CZ3-CD2 4.47Å; L899-A913 HydrophobicContact CD2-CB 4.26Å; L899-A913 HydrophobicContact CG-CB 4.28Å; L899-A913 PolarHBondContact O-N 2.91Å; L899-C914 WeakPolarHBondContact CB-SG 3.48Å; L899-C914 PolarHBondContact N-O 2.82Å; L899-C914 PolarHBondContact O-N 2.92Å; L899-Y921 HydrophobicContact CD2-CD1 4.14Å; L899-V923 HydrophobicContact CD2-CG2 3.73Å; L899-F934 HydrophobicContact CD1-CB 4.47Å; L899-F934 HydrophobicContact CD1-CD1 4.19Å; L899-F934 HydrophobicContact CD2-CD1 4.43Å; L899-F934 HydrophobicContact CG-CD1 4.38Å; L899-L936 HydrophobicContact CB-CD1 4.24Å; L899-L936 HydrophobicContact CD1-CD1 4.16Å |
| 900 | F | 94.2 | Very high | 85.1 | Confident | 27 Ų | 27 | 67.2 Ų | 67.2 | 12% | 0.118 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 139 | 172.3 | -71.6 | -101.9 | 0 | 0 | 0 | 110 | Q898 F910 L911 P912 F934 R935 I937 | Q898-F900 HydrophobicContact CB-CD2 4.43Å; Q898-F900 HydrophobicContact CB-CE2 3.78Å; F900-F910 HydrophobicContact CB-CB 4.14Å; F900-F910 HydrophobicContact CB-CD1 3.86Å; F900-F910 HydrophobicContact CB-CG 4.39Å; F900-F910 HydrophobicContact CD1-CB 4.24Å; F900-L911 CarbonylContact C-O 3.55Å; F900-L911 VanDerWaalsContact CA-O 3.3Å; F900-L911 WeakPolarHBondContact CA-O 3.41Å; F900-P912 HydrophobicContact CD1-CG 4.43Å; F900-P912 HydrophobicContact CE1-CG 3.95Å; F900-F934 WeakPolarHBondContact O-CA 3.42Å; F900-R935 HydrophobicContact CB-CG 3.79Å; F900-R935 PolarHBondContact N-O 3.03Å; F900-R935 PolarHBondContact O-N 2.99Å; F900-R935 VanDerWaalsContact O-N 3.08Å; F900-I937 HydrophobicContact CD2-CD1 4.03Å; F900-I937 HydrophobicContact CD2-CG1 4.01Å; F900-I937 HydrophobicContact CE2-CB 4.28Å; F900-I937 HydrophobicContact CE2-CD1 3.45Å; F900-I937 VanDerWaalsContact CE2-CD1 3.45Å; F900-I937 HydrophobicContact CE2-CG1 3.78Å; F900-I937 HydrophobicContact CZ-CD1 4.02Å |
| 901 | M | 94 | Very high | 85.2 | Confident | 41 Ų | 41 | 65.1 Ų | 65.1 | 20% | 0.202 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 145.6 | 175.6 | -178.7 | 176.1 | 65.7 | 0 | 0 | 110.3 | L911 A913 V923 L926 Y932 R933 F934 | M901-L911 PolarHBondContact N-O 2.86Å; M901-L911 PolarHBondContact O-N 3.11Å; M901-A913 HydrophobicContact CB-CB 3.83Å; M901-V923 HydrophobicContact CE-CG1 3.93Å; M901-V923 HydrophobicContact SD-CG1 3.85Å; M901-L926 HydrophobicContact CE-CD2 3.71Å; M901-L926 HydrophobicContact SD-CD2 3.48Å; M901-L926 WeakPolarHBondContact SD-CD2 3.46Å; M901-Y932 HydrophobicContact CE-CD1 4.46Å; M901-Y932 HydrophobicContact CG-CD1 3.91Å; M901-Y932 HydrophobicContact CG-CG 4.42Å; M901-Y932 HydrophobicContact SD-CD1 3.62Å; M901-Y932 HydrophobicContact SD-CE1 4.2Å; M901-Y932 HydrophobicContact SD-CG 4.04Å; M901-R933 CarbonylContact C-O 3.57Å; M901-R933 WeakPolarHBondContact CA-O 3.47Å; M901-F934 HydrophobicContact CB-CD1 3.91Å; M901-F934 HydrophobicContact CB-CE1 3.66Å; M901-F934 HydrophobicContact CG-CD1 4.05Å; M901-F934 HydrophobicContact CG-CE1 3.46Å; M901-F934 VanDerWaalsContact CG-CE1 3.46Å; M901-F934 HydrophobicContact CG-CZ 3.88Å; M901-F934 HydrophobicContact SD-CE1 3.59Å; M901-F934 VanDerWaalsContact SD-CE1 3.59Å; M901-F934 HydrophobicContact SD-CZ 3.71Å |
| 902 | E | 92.7 | Very high | 85.6 | Confident | 23 Ų | 23 | 61 Ų | 61 | 11% | 0.107 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 126.1 | 172.9 | 174.4 | -177.9 | -153.5 | 0 | 0 | 109.8 | G909 F910 R933 | E902-G909 WeakPolarHBondContact OE1-CA 3.47Å; E902-F910 HydrophobicContact CB-CD1 3.78Å; E902-F910 HydrophobicContact CB-CD2 4.41Å; E902-F910 HydrophobicContact CB-CE1 3.93Å; E902-F910 HydrophobicContact CB-CG 4.04Å; E902-F910 HydrophobicContact CB-CZ 4.31Å; E902-F910 WeakPolarHBondContact OE2-CE2 3.35Å; E902-F910 WeakPolarHBondContact OE2-CZ 3.46Å; E902-R933 HydrophobicContact CB-CB 4.25Å; E902-R933 PolarHBondContact N-O 2.84Å; E902-R933 PolarHBondContact O-N 3.19Å; E902-R933 IonicContact OE1-CZ 3.69Å; E902-R933 IonicContact OE1-NH2 2.7Å; E902-R933 PolarHBondContact OE1-NH2 2.82Å; E902-R933 IonicContact OE2-CZ 3.75Å; E902-R933 IonicContact OE2-NE 3.1Å; E902-R933 PolarHBondContact OE2-NE 3.38Å; E902-R933 IonicContact OE2-NH2 3.73Å; E902-R933 PolarHBondContact OE2-NH2 2.79Å |
| 903 | D | 86.8 | Confident | 86.2 | Confident | 31 Ų | 31 | 60.1 Ų | 60.1 | 17% | 0.166 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 116.2 | 158.8 | 177.5 | -22.6 | 0 | 0 | 0 | 107.5 | E905 S906 K930 Y932 | D903-E905 PolarHBondContact O-N 3.02Å; D903-E905 WeakPolarHBondContact OD1-CB 3.39Å; D903-E905 PolarHBondContact OD1-N 2.86Å; D903-S906 WeakPolarHBondContact O-CB 3.31Å; D903-S906 PolarHBondContact O-N 2.92Å; D903-S906 PolarHBondContact O-OG 3.25Å; D903-S906 PolarHBondContact OD1-N 3.13Å; D903-K930 VanDerWaalsContact CG-NZ 3.26Å; D903-K930 WeakPolarHBondContact OD1-CE 3.43Å; D903-K930 IonicContact OD1-NZ 3.75Å; D903-K930 PolarHBondContact OD1-NZ 2.9Å; D903-K930 WeakPolarHBondContact OD2-CE 3.31Å; D903-K930 IonicContact OD2-NZ 3.32Å; D903-K930 PolarHBondContact OD2-NZ 2.68Å; D903-Y932 HydrophobicContact CB-CD1 4.24Å; D903-Y932 HydrophobicContact CB-CE1 3.88Å |
| 904 | T | 78.2 | Confident | 87 | Confident | 67 Ų | 67 | 53.4 Ų | 53.4 | 41% | 0.411 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -23.3 | -173.9 | 52.4 | 0 | 0 | 0 | 0 | 114 | R933 | T904-R933 HydrophobicContact CG2-CG 3.69Š|
| 905 | E | 76.6 | Confident | 87.6 | Confident | 148 Ų | 148 | 56.8 Ų | 56.8 | 69% | 0.692 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89 | -24.8 | 179.1 | -61.6 | 170.5 | -176.9 | 0 | 0 | 111.9 | D903 G907 K930 | D903-E905 PolarHBondContact O-N 3.02Å; D903-E905 WeakPolarHBondContact OD1-CB 3.39Å; D903-E905 PolarHBondContact OD1-N 2.86Å; E905-G907 VanDerWaalsContact C-N 3.27Å; E905-G907 PolarHBondContact O-N 3.03Å; E905-K930 WeakPolarHBondContact OE2-CE 3.41Å; E905-K930 IonicContact OE2-NZ 2.83Å; E905-K930 PolarHBondContact OE2-NZ 2.9Å |
| 906 | S | 76.1 | Confident | 87.9 | Confident | 43 Ų | 43 | 54 Ų | 54 | 30% | 0.301 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -22 | -172.6 | 74.8 | 0 | 0 | 0 | 0 | 114.6 | D903 Y908 | D903-S906 WeakPolarHBondContact O-CB 3.31Å; D903-S906 PolarHBondContact O-N 2.92Å; D903-S906 PolarHBondContact O-OG 3.25Å; D903-S906 PolarHBondContact OD1-N 3.13Å; S906-Y908 WeakPolarHBondContact O-CD2 3.36Å; S906-Y908 PolarHBondContact O-N 2.98Å; S906-Y908 VanDerWaalsContact O-N 3.15Å; S906-Y908 PolarHBondContact OG-N 3.29Å |
| 907 | G | 76.8 | Confident | 87.9 | Confident | 72 Ų | 72 | 57.3 Ų | 57.3 | 74% | 0.742 | 32% | 0.319 | S | S | * | . | S | Bend | trans | 71.2 | -4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 116 | E905 G909 | E905-G907 VanDerWaalsContact C-N 3.27Å; E905-G907 PolarHBondContact O-N 3.03Å; G907-G909 VanDerWaalsContact C-N 3.35Å |
| 908 | Y | 80.4 | Confident | 87.7 | Confident | 185 Ų | 185 | 63.1 Ų | 63.1 | 73% | 0.725 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -79.2 | -14.9 | -179.3 | -64.5 | -66.3 | 0 | 0 | 0 | 114.3 | S906 | S906-Y908 WeakPolarHBondContact O-CD2 3.36Å; S906-Y908 PolarHBondContact O-N 2.98Å; S906-Y908 VanDerWaalsContact O-N 3.15Å; S906-Y908 PolarHBondContact OG-N 3.29Å |
| 909 | G | 87.2 | Confident | 87.6 | Confident | 20 Ų | 20 | 62.9 Ų | 62.9 | 21% | 0.206 | 35% | 0.348 | C | S | . | . | trans | 75.5 | -161.1 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E902 G907 L911 | E902-G909 WeakPolarHBondContact OE1-CA 3.47Å; G907-G909 VanDerWaalsContact C-N 3.35Å; G909-L911 PolarHBondContact O-N 3.23Å | ||
| 910 | F | 91.8 | Very high | 87.5 | Confident | 44 Ų | 44 | 65.1 Ų | 65.1 | 19% | 0.193 | 36% | 0.364 | C | S | . | . | trans | -70.1 | 108.3 | 178.7 | -79.8 | -75.4 | 0 | 0 | 0 | 112.7 | F900 E902 R933 R935 V950 | F900-F910 HydrophobicContact CB-CB 4.14Å; F900-F910 HydrophobicContact CB-CD1 3.86Å; F900-F910 HydrophobicContact CB-CG 4.39Å; F900-F910 HydrophobicContact CD1-CB 4.24Å; E902-F910 HydrophobicContact CB-CD1 3.78Å; E902-F910 HydrophobicContact CB-CD2 4.41Å; E902-F910 HydrophobicContact CB-CE1 3.93Å; E902-F910 HydrophobicContact CB-CG 4.04Å; E902-F910 HydrophobicContact CB-CZ 4.31Å; E902-F910 WeakPolarHBondContact OE2-CE2 3.35Å; E902-F910 WeakPolarHBondContact OE2-CZ 3.46Å; F910-R933 HydrophobicContact CE1-CB 4.1Å; F910-R933 HydrophobicContact CZ-CB 3.93Å; F910-R935 HydrophobicContact CD1-CG 3.85Å; F910-R935 HydrophobicContact CE1-CB 4.3Å; F910-R935 HydrophobicContact CE1-CG 3.77Å; F910-R935 HydrophobicContact CG-CG 4.38Å; F910-R935 HydrophobicContact CZ-CG 4.24Å; F910-V950 HydrophobicContact CE2-CG2 3.97Å; F910-V950 HydrophobicContact CZ-CB 4.36Å; F910-V950 HydrophobicContact CZ-CG1 3.76Å; F910-V950 HydrophobicContact CZ-CG2 3.64Å | ||
| 911 | L | 90 | Very high | 87.5 | Confident | 93 Ų | 93 | 67.4 Ų | 67.4 | 49% | 0.487 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 152 | 171.1 | -59.4 | 178.9 | 0 | 0 | 0 | 110.5 | F900 M901 G909 A913 | F900-L911 CarbonylContact C-O 3.55Å; F900-L911 VanDerWaalsContact CA-O 3.3Å; F900-L911 WeakPolarHBondContact CA-O 3.41Å; M901-L911 PolarHBondContact N-O 2.86Å; M901-L911 PolarHBondContact O-N 3.11Å; G909-L911 PolarHBondContact O-N 3.23Å; L911-A913 PolarHBondContact O-N 3.2Å |
| 912 | P | 91 | Very high | 87.5 | Confident | 89 Ų | 89 | 66.8 Ų | 66.8 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 123.5 | 171.7 | -17.9 | 31.4 | 0 | 0 | 0 | 110.6 | F900 | F900-P912 HydrophobicContact CD1-CG 4.43Å; F900-P912 HydrophobicContact CE1-CG 3.95Å |
| 913 | A | 88 | Confident | 87.5 | Confident | 25 Ų | 25 | 66 Ų | 66 | 21% | 0.207 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -41.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L899 M901 L911 V923 | L899-A913 HydrophobicContact CD2-CB 4.26Å; L899-A913 HydrophobicContact CG-CB 4.28Å; L899-A913 PolarHBondContact O-N 2.91Å; M901-A913 HydrophobicContact CB-CB 3.83Å; L911-A913 PolarHBondContact O-N 3.2Å; A913-V923 HydrophobicContact CB-CG1 4.4Å; A913-V923 HydrophobicContact CB-CG2 4.27Å |
| 914 | C | 90.7 | Very high | 87.7 | Confident | 12 Ų | 12 | 70.5 Ų | 70.5 | 8% | 0.081 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.5 | 163 | 170.7 | 77.1 | 0 | 0 | 0 | 0 | 112.9 | Q898 L899 Y921 | Q898-C914 WeakPolarHBondContact CA-O 3.24Å; L899-C914 WeakPolarHBondContact CB-SG 3.48Å; L899-C914 PolarHBondContact N-O 2.82Å; L899-C914 PolarHBondContact O-N 2.92Å; C914-Y921 HydrophobicContact CB-CD1 3.6Å; C914-Y921 HydrophobicContact CB-CD2 3.71Å; C914-Y921 HydrophobicContact CB-CE1 3.52Å; C914-Y921 HydrophobicContact CB-CE2 3.64Å; C914-Y921 HydrophobicContact CB-CG 3.69Å; C914-Y921 VanDerWaalsContact SG-CD1 3.59Å |
| 915 | T | 91.4 | Very high | 88.2 | Confident | 78 Ų | 78 | 74.6 Ų | 74.6 | 48% | 0.479 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 121.6 | 164.4 | -60.5 | 0 | 0 | 0 | 0 | 107 | E896 Y897 Q898 | E896-T915 HydrophobicContact CG-CG2 3.51Å; E896-T915 VanDerWaalsContact OE1-CG2 3.31Å; E896-T915 WeakPolarHBondContact OE1-CG2 3.43Å; E896-T915 VanDerWaalsContact OE2-CG2 3.27Å; E896-T915 WeakPolarHBondContact OE2-CG2 3.31Å; Y897-T915 WeakPolarHBondContact O-CA 3.38Å; Q898-T915 HydrophobicContact CG-CG2 4.03Å |
| 916 | T | 89.4 | Confident | 88.9 | Confident | 27 Ų | 27 | 68.3 Ų | 68.3 | 17% | 0.166 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 157.6 | -174.4 | -173.6 | 0 | 0 | 0 | 0 | 112.8 | W889 Y897 E918 | W889-T916 HydrophobicContact CH2-CG2 4.18Å; W889-T916 HydrophobicContact CZ2-CG2 3.8Å; Y897-T916 PolarHBondContact N-O 2.98Å; Y897-T916 PolarHBondContact O-N 2.99Å; T916-E918 HydrophobicContact CG2-CB 4.41Å; T916-E918 WeakPolarHBondContact OG1-CB 3.42Å; T916-E918 PolarHBondContact OG1-N 2.96Å; T916-E918 VanDerWaalsContact OG1-N 3.08Å |
| 917 | Q | 89 | Confident | 89.4 | Confident | 138 Ų | 138 | 71.4 Ų | 71.4 | 65% | 0.645 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -93.8 | -6.8 | 169.7 | -53.9 | -168.9 | -28.6 | 0 | 0 | 112.3 | D895 | D895-Q917 WeakPolarHBondContact O-CG 3.49Š|
| 918 | E | 89.2 | Confident | 89.9 | Confident | 124 Ų | 124 | 72.3 Ų | 72.3 | 58% | 0.579 | 36% | 0.364 | S | S | * | . | S | Bend | trans | -77.7 | 156.8 | 176.4 | -60.8 | -176.5 | 157 | 0 | 0 | 111.1 | W889 T916 S920 | W889-E918 VanDerWaalsContact CZ2-O 3.32Å; W889-E918 WeakPolarHBondContact CZ2-O 3.41Å; W889-E918 PolarHBondContact NE1-O 2.67Å; T916-E918 HydrophobicContact CG2-CB 4.41Å; T916-E918 WeakPolarHBondContact OG1-CB 3.42Å; T916-E918 PolarHBondContact OG1-N 2.96Å; T916-E918 VanDerWaalsContact OG1-N 3.08Å; E918-S920 VanDerWaalsContact C-N 3.27Å; E918-S920 PolarHBondContact O-N 3.4Å |
| 919 | C | 91.7 | Very high | 90.1 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 23% | 0.23 | 34% | 0.343 | C | S | . | . | S | Bend | trans | -94.3 | 19.9 | -179.5 | -55.2 | 0 | 0 | 0 | 0 | 112.7 | G888 W889 R891 | G888-C919 WeakPolarHBondContact CA-O 3.2Å; W889-C919 PolarHBondContact N-O 2.93Å; W889-C919 WeakPolarHBondContact O-CB 3.42Å; R891-C919 VanDerWaalsContact CB-SG 3.6Å |
| 920 | S | 92.2 | Very high | 90.1 | Very high | 47 Ų | 47 | 65.6 Ų | 65.6 | 33% | 0.329 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.3 | 152.3 | 179.4 | 54.5 | 0 | 0 | 0 | 0 | 110.4 | L887 E918 | L887-S920 CarbonylContact O-C 3.52Å; L887-S920 WeakPolarHBondContact O-CA 3.06Å; L887-S920 VanDerWaalsContact O-CB 3.31Å; L887-S920 WeakPolarHBondContact O-CB 3.4Å; E918-S920 VanDerWaalsContact C-N 3.27Å; E918-S920 PolarHBondContact O-N 3.4Å |
| 921 | Y | 93.6 | Very high | 90 | Very high | 75 Ų | 75 | 69.3 Ų | 69.3 | 29% | 0.294 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 142.8 | 171.5 | -178.7 | -102.3 | 0 | 0 | 0 | 111.7 | L887 L899 C914 V923 | L887-Y921 PolarHBondContact N-O 3.08Å; L887-Y921 PolarHBondContact O-N 3.46Å; L899-Y921 HydrophobicContact CD2-CD1 4.14Å; C914-Y921 HydrophobicContact CB-CD1 3.6Å; C914-Y921 HydrophobicContact CB-CD2 3.71Å; C914-Y921 HydrophobicContact CB-CE1 3.52Å; C914-Y921 HydrophobicContact CB-CE2 3.64Å; C914-Y921 HydrophobicContact CB-CG 3.69Å; C914-Y921 VanDerWaalsContact SG-CD1 3.59Å; Y921-V923 HydrophobicContact CD1-CG2 3.71Å; Y921-V923 HydrophobicContact CE1-CB 4.3Å; Y921-V923 HydrophobicContact CE1-CG2 3.87Å |
| 922 | T | 95.2 | Very high | 90.1 | Very high | 27 Ų | 27 | 65.4 Ų | 65.4 | 17% | 0.166 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112.1 | 172 | -53 | 0 | 0 | 0 | 0 | 109.7 | Q884 T886 Y924 | Q884-T922 HydrophobicContact CB-CG2 3.9Å; Q884-T922 HydrophobicContact CG-CG2 4.29Å; Q884-T922 VanDerWaalsContact NE2-CG2 3.26Å; T886-T922 PolarHBondContact OG1-OG1 2.88Å; T922-Y924 HydrophobicContact CG2-CD1 4.02Å; T922-Y924 HydrophobicContact CG2-CD2 4.33Å; T922-Y924 HydrophobicContact CG2-CE1 3.53Å; T922-Y924 HydrophobicContact CG2-CE2 3.87Å; T922-Y924 HydrophobicContact CG2-CG 4.4Å; T922-Y924 VanDerWaalsContact CG2-CZ 3.44Å; T922-Y924 WeakPolarHBondContact O-CD2 3.46Å; T922-Y924 WeakPolarHBondContact O-CE2 3.28Å |
| 923 | V | 93.2 | Very high | 90.3 | Very high | 7 Ų | 7 | 65.4 Ų | 65.4 | 4% | 0.042 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 126.2 | 171.5 | -167.2 | 0 | 0 | 0 | 0 | 108.3 | Q884 L885 L899 M901 A913 Y921 L926 F934 | Q884-V923 CarbonylContact C-O 3.54Å; Q884-V923 WeakPolarHBondContact CA-O 3.43Å; Q884-V923 WeakPolarHBondContact CB-O 3.36Å; L885-V923 PolarHBondContact N-O 2.93Å; L885-V923 PolarHBondContact O-N 3.01Å; L899-V923 HydrophobicContact CD2-CG2 3.73Å; M901-V923 HydrophobicContact CE-CG1 3.93Å; M901-V923 HydrophobicContact SD-CG1 3.85Å; A913-V923 HydrophobicContact CB-CG1 4.4Å; A913-V923 HydrophobicContact CB-CG2 4.27Å; Y921-V923 HydrophobicContact CD1-CG2 3.71Å; Y921-V923 HydrophobicContact CE1-CB 4.3Å; Y921-V923 HydrophobicContact CE1-CG2 3.87Å; V923-L926 HydrophobicContact CB-CD1 4.38Å; V923-L926 HydrophobicContact CG1-CD1 4.46Å; V923-L926 HydrophobicContact CG1-CD2 3.86Å; V923-L926 HydrophobicContact CG1-CG 4.37Å; V923-F934 HydrophobicContact CG2-CE1 4.11Å |
| 924 | Y | 91.1 | Very high | 90.7 | Very high | 126 Ų | 126 | 64.2 Ų | 64.2 | 49% | 0.494 | 31% | 0.313 | S | S | . | . | trans | -110.5 | 169.4 | -175.8 | -59 | -87.5 | 0 | 0 | 0 | 112.5 | D883 Q884 T922 L926 | D883-Y924 CarbonylContact O-C 3.49Å; Q884-Y924 HydrophobicContact CB-CD1 4.07Å; T922-Y924 HydrophobicContact CG2-CD1 4.02Å; T922-Y924 HydrophobicContact CG2-CD2 4.33Å; T922-Y924 HydrophobicContact CG2-CE1 3.53Å; T922-Y924 HydrophobicContact CG2-CE2 3.87Å; T922-Y924 HydrophobicContact CG2-CG 4.4Å; T922-Y924 VanDerWaalsContact CG2-CZ 3.44Å; T922-Y924 WeakPolarHBondContact O-CD2 3.46Å; T922-Y924 WeakPolarHBondContact O-CE2 3.28Å; Y924-L926 VanDerWaalsContact C-N 3.29Å; Y924-L926 PolarHBondContact O-N 3.39Å | ||
| 925 | N | 88.7 | Confident | 90.9 | Very high | 152 Ų | 152 | 66.7 Ų | 66.7 | 81% | 0.813 | 32% | 0.321 | S | S | * | . | S | Bend | trans | 61.5 | 32 | 177.8 | -50.3 | -65.6 | 0 | 0 | 0 | 114.2 | D883 | D883-N925 PolarHBondContact O-N 2.67Š|
| 926 | L | 91 | Very high | 91 | Very high | 16 Ų | 16 | 63 Ų | 63 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -77.8 | 156 | 175.6 | -57.8 | -177.7 | 0 | 0 | 0 | 111.4 | D883 L885 M901 V923 Y924 Y932 T955 | D883-L926 PolarHBondContact O-N 3.05Å; L885-L926 HydrophobicContact CB-CD1 3.89Å; L885-L926 HydrophobicContact CD1-CD1 3.81Å; L885-L926 HydrophobicContact CG-CD1 3.61Å; M901-L926 HydrophobicContact CE-CD2 3.71Å; M901-L926 HydrophobicContact SD-CD2 3.48Å; M901-L926 WeakPolarHBondContact SD-CD2 3.46Å; V923-L926 HydrophobicContact CB-CD1 4.38Å; V923-L926 HydrophobicContact CG1-CD1 4.46Å; V923-L926 HydrophobicContact CG1-CD2 3.86Å; V923-L926 HydrophobicContact CG1-CG 4.37Å; Y924-L926 VanDerWaalsContact C-N 3.29Å; Y924-L926 PolarHBondContact O-N 3.39Å; L926-Y932 HydrophobicContact CB-CE2 3.82Å; L926-Y932 HydrophobicContact CD1-CD2 4.32Å; L926-Y932 HydrophobicContact CD1-CE2 4.42Å; L926-Y932 HydrophobicContact CD2-CD1 4.41Å; L926-Y932 HydrophobicContact CD2-CD2 4.38Å; L926-Y932 HydrophobicContact CD2-CE1 4.11Å; L926-Y932 HydrophobicContact CD2-CE2 4.08Å; L926-Y932 HydrophobicContact CG-CE2 4.33Å; L926-T955 HydrophobicContact CB-CG2 3.63Å; L926-T955 HydrophobicContact CD1-CG2 3.77Å; L926-T955 HydrophobicContact CG-CG2 4.37Å |
| 927 | Q | 85.5 | Confident | 91.2 | Very high | 109 Ų | 109 | 62.5 Ų | 62.5 | 51% | 0.509 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -79.5 | 132.2 | 169 | -63 | -177.4 | -30.9 | 0 | 0 | 109.1 | K930 Y932 T955 | Q927-K930 HydrophobicContact CB-CB 4.07Å; Q927-K930 HydrophobicContact CB-CD 3.94Å; Q927-K930 WeakPolarHBondContact O-CB 3.35Å; Q927-Y932 WeakPolarHBondContact CB-OH 3.41Å; Q927-Y932 PolarHBondContact N-OH 2.87Å; Q927-T955 WeakPolarHBondContact O-CB 3.41Å; Q927-T955 PolarHBondContact O-OG1 3.21Å |
| 928 | R | 86.9 | Confident | 91.2 | Very high | 90 Ų | 90 | 55.9 Ų | 55.9 | 34% | 0.34 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63 | 149.6 | 176.5 | 63.1 | -171.2 | 170.3 | -170.3 | -11.8 | 113.3 | A882 K930 T955 T958 D986 G988 | A882-R928 HydrophobicContact CB-CB 3.91Å; A882-R928 WeakPolarHBondContact O-CA 3.48Å; A882-R928 WeakPolarHBondContact O-CB 3.38Å; A882-R928 PolarHBondContact O-N 2.94Å; R928-K930 PolarHBondContact O-N 2.68Å; R928-T955 VanDerWaalsContact C-OG1 3.25Å; R928-T955 WeakPolarHBondContact CA-OG1 3.47Å; R928-T958 PolarHBondContact NH1-OG1 2.78Å; R928-D986 VanDerWaalsContact CZ-CG 3.48Å; R928-D986 IonicContact CZ-OD1 3.19Å; R928-D986 IonicContact CZ-OD2 2.71Å; R928-D986 IonicContact NE-OD1 2.72Å; R928-D986 IonicContact NH1-OD1 3.65Å; R928-D986 PolarHBondContact NH1-OD1 2.89Å; R928-D986 IonicContact NH1-OD2 3.51Å; R928-D986 PolarHBondContact NH1-OD2 3.15Å; R928-D986 IonicContact NH2-OD1 2.99Å; R928-D986 PolarHBondContact NH2-OD1 2.95Å; R928-D986 IonicContact NH2-OD2 3.81Å; R928-D986 PolarHBondContact NH2-OD2 2.97Å; R928-G988 WeakPolarHBondContact CD-O 3.3Å |
| 929 | C | 85.4 | Confident | 91.1 | Very high | 42 Ų | 42 | 50.6 Ų | 50.6 | 28% | 0.284 | 24% | 0.24 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.2 | 21.4 | -175.4 | -151.4 | 0 | 0 | 0 | 0 | 114.9 | C954 T955 L956 P957 G989 | C929-C954 PolarHBondContact O-SG 3.08Å; C929-T955 WeakPolarHBondContact CA-O 3.42Å; C929-T955 PolarHBondContact N-O 3.46Å; C929-T955 PolarHBondContact N-OG1 3.19Å; C929-L956 PolarHBondContact N-O 2.81Å; C929-P957 HydrophobicContact CB-CB 4.15Å; C929-G989 VanDerWaalsContact CB-C 3.49Å; C929-G989 WeakPolarHBondContact CB-O 3.39Å |
| 930 | K | 86.7 | Confident | 90.6 | Very high | 22 Ų | 22 | 50.4 Ų | 50.4 | 10% | 0.096 | 24% | 0.237 | C | C | . | . | trans | -105.7 | 138.9 | -177 | -165.3 | 169.2 | -163.4 | 177.2 | 0 | 111.6 | D903 E905 Q927 R928 Y932 C954 T955 | D903-K930 VanDerWaalsContact CG-NZ 3.26Å; D903-K930 WeakPolarHBondContact OD1-CE 3.43Å; D903-K930 IonicContact OD1-NZ 3.75Å; D903-K930 PolarHBondContact OD1-NZ 2.9Å; D903-K930 WeakPolarHBondContact OD2-CE 3.31Å; D903-K930 IonicContact OD2-NZ 3.32Å; D903-K930 PolarHBondContact OD2-NZ 2.68Å; E905-K930 WeakPolarHBondContact OE2-CE 3.41Å; E905-K930 IonicContact OE2-NZ 2.83Å; E905-K930 PolarHBondContact OE2-NZ 2.9Å; Q927-K930 HydrophobicContact CB-CB 4.07Å; Q927-K930 HydrophobicContact CB-CD 3.94Å; Q927-K930 WeakPolarHBondContact O-CB 3.35Å; R928-K930 PolarHBondContact O-N 2.68Å; K930-Y932 HydrophobicContact CB-CE2 3.87Å; K930-Y932 HydrophobicContact CD-CE2 4.47Å; K930-Y932 HydrophobicContact CG-CE2 4.23Å; K930-Y932 WeakPolarHBondContact O-CD2 3.46Å; K930-C954 WeakPolarHBondContact O-CA 3.41Å; K930-T955 PolarHBondContact N-OG1 3.39Å; K930-T955 PolarHBondContact O-N 3.03Å; K930-T955 VanDerWaalsContact O-N 3.13Å; K930-T955 PolarHBondContact O-OG1 3.13Å | ||
| 931 | Q | 89.9 | Confident | 89.9 | Confident | 122 Ų | 122 | 54.5 Ų | 54.5 | 57% | 0.57 | 25% | 0.251 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.8 | 120.1 | 175.2 | -67.1 | -172.6 | 13.7 | 0 | 0 | 110.9 | T952 F953 C954 | Q931-T952 HydrophobicContact CB-CG2 3.8Å; Q931-T952 HydrophobicContact CG-CG2 4.28Å; Q931-F953 WeakPolarHBondContact CA-O 3.26Å; Q931-C954 HydrophobicContact CG-CB 4.31Å |
| 932 | Y | 93 | Very high | 88.9 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 5% | 0.047 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 133.2 | 172.8 | -71.3 | -82.9 | 0 | 0 | 0 | 109.6 | M901 D903 L926 Q927 K930 F934 T952 F953 T955 | M901-Y932 HydrophobicContact CE-CD1 4.46Å; M901-Y932 HydrophobicContact CG-CD1 3.91Å; M901-Y932 HydrophobicContact CG-CG 4.42Å; M901-Y932 HydrophobicContact SD-CD1 3.62Å; M901-Y932 HydrophobicContact SD-CE1 4.2Å; M901-Y932 HydrophobicContact SD-CG 4.04Å; D903-Y932 HydrophobicContact CB-CD1 4.24Å; D903-Y932 HydrophobicContact CB-CE1 3.88Å; L926-Y932 HydrophobicContact CB-CE2 3.82Å; L926-Y932 HydrophobicContact CD1-CD2 4.32Å; L926-Y932 HydrophobicContact CD1-CE2 4.42Å; L926-Y932 HydrophobicContact CD2-CD1 4.41Å; L926-Y932 HydrophobicContact CD2-CD2 4.38Å; L926-Y932 HydrophobicContact CD2-CE1 4.11Å; L926-Y932 HydrophobicContact CD2-CE2 4.08Å; L926-Y932 HydrophobicContact CG-CE2 4.33Å; Q927-Y932 WeakPolarHBondContact CB-OH 3.41Å; Q927-Y932 PolarHBondContact N-OH 2.87Å; K930-Y932 HydrophobicContact CB-CE2 3.87Å; K930-Y932 HydrophobicContact CD-CE2 4.47Å; K930-Y932 HydrophobicContact CG-CE2 4.23Å; K930-Y932 WeakPolarHBondContact O-CD2 3.46Å; Y932-F934 VanDerWaalsContact CB-CE2 3.44Å; Y932-F934 HydrophobicContact CG-CZ 4.47Å; Y932-F934 WeakPolarHBondContact O-CD2 3.43Å; Y932-F934 WeakPolarHBondContact O-CE2 3.5Å; Y932-T952 WeakPolarHBondContact O-CA 3.44Å; Y932-F953 PolarHBondContact N-O 3.27Å; Y932-F953 PolarHBondContact O-N 3.31Å; Y932-T955 HydrophobicContact CD2-CG2 4.37Å; Y932-T955 HydrophobicContact CE2-CG2 4.25Å |
| 933 | R | 94.7 | Very high | 87.9 | Confident | 89 Ų | 89 | 53.2 Ų | 53.2 | 34% | 0.336 | 25% | 0.254 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 135.3 | 173 | -59.3 | -160.4 | -65.2 | -141.3 | 0.9 | 109.4 | M901 E902 T904 F910 V950 I951 T952 | M901-R933 CarbonylContact C-O 3.57Å; M901-R933 WeakPolarHBondContact CA-O 3.47Å; E902-R933 HydrophobicContact CB-CB 4.25Å; E902-R933 PolarHBondContact N-O 2.84Å; E902-R933 PolarHBondContact O-N 3.19Å; E902-R933 IonicContact OE1-CZ 3.69Å; E902-R933 IonicContact OE1-NH2 2.7Å; E902-R933 PolarHBondContact OE1-NH2 2.82Å; E902-R933 IonicContact OE2-CZ 3.75Å; E902-R933 IonicContact OE2-NE 3.1Å; E902-R933 PolarHBondContact OE2-NE 3.38Å; E902-R933 IonicContact OE2-NH2 3.73Å; E902-R933 PolarHBondContact OE2-NH2 2.79Å; T904-R933 HydrophobicContact CG2-CG 3.69Å; F910-R933 HydrophobicContact CE1-CB 4.1Å; F910-R933 HydrophobicContact CZ-CB 3.93Å; R933-V950 HydrophobicContact CB-CG1 3.83Å; R933-V950 HydrophobicContact CG-CG1 4.26Å; R933-I951 CarbonylContact C-O 3.47Å; R933-I951 WeakPolarHBondContact CA-O 3.31Å; R933-T952 HydrophobicContact CG-CG2 4.44Å |
| 934 | F | 95.5 | Very high | 87.5 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.5 | 179.9 | -64.3 | -82.3 | 0 | 0 | 0 | 111.2 | P875 L885 L887 L899 F900 M901 V923 Y932 V950 I951 F953 | P875-F934 HydrophobicContact CG-CB 4.26Å; L885-F934 HydrophobicContact CD1-CE2 3.65Å; L885-F934 HydrophobicContact CD1-CZ 3.8Å; L887-F934 HydrophobicContact CD1-CB 4.16Å; L887-F934 HydrophobicContact CD1-CD1 3.58Å; L887-F934 HydrophobicContact CD1-CD2 3.96Å; L887-F934 HydrophobicContact CD1-CE1 3.88Å; L887-F934 HydrophobicContact CD1-CE2 4.23Å; L887-F934 HydrophobicContact CD1-CG 3.61Å; L887-F934 HydrophobicContact CD1-CZ 4.2Å; L899-F934 HydrophobicContact CD1-CB 4.47Å; L899-F934 HydrophobicContact CD1-CD1 4.19Å; L899-F934 HydrophobicContact CD2-CD1 4.43Å; L899-F934 HydrophobicContact CG-CD1 4.38Å; F900-F934 WeakPolarHBondContact O-CA 3.42Å; M901-F934 HydrophobicContact CB-CD1 3.91Å; M901-F934 HydrophobicContact CB-CE1 3.66Å; M901-F934 HydrophobicContact CG-CD1 4.05Å; M901-F934 HydrophobicContact CG-CE1 3.46Å; M901-F934 VanDerWaalsContact CG-CE1 3.46Å; M901-F934 HydrophobicContact CG-CZ 3.88Å; M901-F934 HydrophobicContact SD-CE1 3.59Å; M901-F934 VanDerWaalsContact SD-CE1 3.59Å; M901-F934 HydrophobicContact SD-CZ 3.71Å; V923-F934 HydrophobicContact CG2-CE1 4.11Å; Y932-F934 VanDerWaalsContact CB-CE2 3.44Å; Y932-F934 HydrophobicContact CG-CZ 4.47Å; Y932-F934 WeakPolarHBondContact O-CD2 3.43Å; Y932-F934 WeakPolarHBondContact O-CE2 3.5Å; F934-V950 WeakPolarHBondContact O-CA 3.45Å; F934-I951 HydrophobicContact CB-CG2 4.08Å; F934-I951 PolarHBondContact N-O 3.36Å; F934-I951 PolarHBondContact O-N 2.9Å; F934-F953 HydrophobicContact CD2-CB 4.36Å; F934-F953 AromaticContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CG 4.49Å; F934-F953 HydrophobicContact CE2-CB 4.16Å; F934-F953 HydrophobicContact CE2-CD2 4.14Å |
| 935 | R | 94.6 | Very high | 87.3 | Confident | 64 Ų | 64 | 52.5 Ų | 52.5 | 24% | 0.242 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 148.9 | 167.1 | 67 | -174.6 | -170.2 | -179 | 0.1 | 109.6 | F900 F910 P947 S948 V950 | F900-R935 HydrophobicContact CB-CG 3.79Å; F900-R935 PolarHBondContact N-O 3.03Å; F900-R935 PolarHBondContact O-N 2.99Å; F900-R935 VanDerWaalsContact O-N 3.08Å; F910-R935 HydrophobicContact CD1-CG 3.85Å; F910-R935 HydrophobicContact CE1-CB 4.3Å; F910-R935 HydrophobicContact CE1-CG 3.77Å; F910-R935 HydrophobicContact CG-CG 4.38Å; F910-R935 HydrophobicContact CZ-CG 4.24Å; R935-P947 HydrophobicContact CG-CB 4.32Å; R935-S948 VanDerWaalsContact CA-OG 3.32Å; R935-S948 WeakPolarHBondContact CA-OG 3.47Å; R935-V950 HydrophobicContact CB-CG2 4.43Å |
| 936 | L | 94.5 | Very high | 87.3 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 137 | -179.8 | -163.6 | 70.2 | 0 | 0 | 0 | 110.2 | P872 W889 Y897 L899 P947 S948 | P872-L936 HydrophobicContact CB-CD2 4.17Å; P872-L936 HydrophobicContact CG-CB 4.14Å; P872-L936 HydrophobicContact CG-CD2 4.36Å; P872-L936 HydrophobicContact CG-CG 4.4Å; P872-L936 WeakPolarHBondContact CG-O 3.37Å; W889-L936 HydrophobicContact CB-CD2 3.59Å; W889-L936 HydrophobicContact CD2-CD1 3.91Å; W889-L936 HydrophobicContact CD2-CD2 3.77Å; W889-L936 HydrophobicContact CE3-CD1 4.07Å; W889-L936 HydrophobicContact CE3-CD2 4.44Å; W889-L936 HydrophobicContact CG-CD1 4.42Å; W889-L936 HydrophobicContact CG-CD2 3.37Å; W889-L936 HydrophobicContact CH2-CD1 4.32Å; W889-L936 HydrophobicContact CZ2-CD1 4.18Å; W889-L936 HydrophobicContact CZ3-CD1 4.27Å; Y897-L936 HydrophobicContact CD1-CD2 3.89Å; Y897-L936 HydrophobicContact CD1-CG 4.33Å; L899-L936 HydrophobicContact CB-CD1 4.24Å; L899-L936 HydrophobicContact CD1-CD1 4.16Å; L936-P947 CarbonylContact O-C 3.48Å; L936-P947 WeakPolarHBondContact O-CA 3.47Å; L936-S948 PolarHBondContact N-OG 2.86Å; L936-S948 PolarHBondContact O-N 3.35Å |
| 937 | I | 92.9 | Very high | 87.3 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 8% | 0.077 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 125.8 | 164.3 | -57.9 | -173.4 | 0 | 0 | 0 | 107.5 | Y897 Q898 F900 Q944 P947 | Y897-I937 WeakPolarHBondContact CA-O 3.42Å; Q898-I937 HydrophobicContact CB-CB 4.37Å; Q898-I937 PolarHBondContact N-O 2.88Å; Q898-I937 PolarHBondContact O-N 3.5Å; F900-I937 HydrophobicContact CD2-CD1 4.03Å; F900-I937 HydrophobicContact CD2-CG1 4.01Å; F900-I937 HydrophobicContact CE2-CB 4.28Å; F900-I937 HydrophobicContact CE2-CD1 3.45Å; F900-I937 VanDerWaalsContact CE2-CD1 3.45Å; F900-I937 HydrophobicContact CE2-CG1 3.78Å; F900-I937 HydrophobicContact CZ-CD1 4.02Å; I937-Q944 HydrophobicContact CG2-CB 3.94Å; I937-Q944 HydrophobicContact CG2-CG 4.05Å; I937-P947 HydrophobicContact CD1-CB 4.41Å; I937-P947 HydrophobicContact CD1-CG 3.92Å; I937-P947 HydrophobicContact CG1-CB 3.94Å; I937-P947 HydrophobicContact CG1-CG 3.96Å |
| 938 | A | 90.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | 136.8 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.5 | P869 P872 A894 Y897 A945 | P869-A938 HydrophobicContact CB-CB 3.94Å; P869-A938 HydrophobicContact CG-CB 4.23Å; P872-A938 HydrophobicContact CB-CB 4.27Å; P872-A938 HydrophobicContact CG-CB 4.07Å; A894-A938 HydrophobicContact CB-CB 3.82Å; Y897-A938 HydrophobicContact CD1-CB 4.12Å; Y897-A938 HydrophobicContact CE1-CB 4.03Å; A938-A945 HydrophobicContact CB-CB 4.25Å; A938-A945 WeakPolarHBondContact O-CB 3.26Å; A938-A945 PolarHBondContact O-N 2.86Å |
| 939 | S | 87.3 | Confident | 87.9 | Confident | 12 Ų | 12 | 46.2 Ų | 46.2 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 139.1 | -177.7 | -10.1 | 0 | 0 | 0 | 0 | 110.6 | A894 D895 E896 G943 | A894-S939 CarbonylContact C-O 3.6Å; A894-S939 WeakPolarHBondContact CB-O 3.27Å; D895-S939 PolarHBondContact N-O 2.66Å; E896-S939 PolarHBondContact N-O 2.87Å; E896-S939 PolarHBondContact O-N 2.92Å; E896-S939 PolarHBondContact O-OG 2.95Å; E896-S939 VanDerWaalsContact O-OG 3.04Å; S939-G943 WeakPolarHBondContact CA-O 3.26Å |
| 940 | N | 81.2 | Confident | 88.3 | Confident | 30 Ų | 30 | 47.8 Ų | 47.8 | 16% | 0.16 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 178.6 | 161.1 | 61.8 | 21.8 | 0 | 0 | 0 | 110.1 | A867 P869 D893 D895 D942 G943 | A867-N940 PolarHBondContact O-ND2 3.41Å; P869-N940 HydrophobicContact CG-CB 4.25Å; D893-N940 PolarHBondContact O-ND2 2.89Å; D895-N940 WeakPolarHBondContact OD2-CA 2.99Å; D895-N940 VanDerWaalsContact OD2-CB 3.23Å; D895-N940 WeakPolarHBondContact OD2-CB 3.43Å; N940-D942 PolarHBondContact O-N 3.02Å; N940-D942 WeakPolarHBondContact OD1-CA 3.41Å; N940-D942 WeakPolarHBondContact OD1-CB 3.33Å; N940-D942 PolarHBondContact OD1-N 2.91Å; N940-G943 PolarHBondContact N-O 3.48Å; N940-G943 VanDerWaalsContact N-O 3.08Å; N940-G943 PolarHBondContact O-N 2.84Å; N940-G943 VanDerWaalsContact O-N 3.09Å; N940-G943 PolarHBondContact OD1-N 2.9Å |
| 941 | E | 76.7 | Confident | 88.6 | Confident | 133 Ų | 133 | 49 Ų | 49 | 62% | 0.621 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -13.5 | 176.4 | -67 | -166.1 | 89.9 | 0 | 0 | 114.9 | R784 D895 | R784-E941 VanDerWaalsContact CZ-CD 3.44Å; R784-E941 IonicContact CZ-OE1 2.73Å; R784-E941 IonicContact CZ-OE2 2.74Å; R784-E941 IonicContact NH1-OE1 2.66Å; R784-E941 IonicContact NH1-OE2 2.7Å; R784-E941 PolarHBondContact NH1-OE2 3.44Å; R784-E941 IonicContact NH2-OE1 3.52Å; R784-E941 PolarHBondContact NH2-OE1 2.81Å; R784-E941 IonicContact NH2-OE2 3.43Å; R784-E941 PolarHBondContact NH2-OE2 2.78Å; D895-E941 PolarHBondContact OD2-N 2.68Å |
| 942 | D | 72 | Confident | 88.8 | Confident | 47 Ų | 47 | 46.2 Ų | 46.2 | 25% | 0.251 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | -8 | -177.6 | -66.1 | -54.9 | 0 | 0 | 0 | 114.7 | S865 G866 N940 | S865-D942 VanDerWaalsContact CA-CG 3.46Å; S865-D942 WeakPolarHBondContact CA-OD1 3.31Å; S865-D942 WeakPolarHBondContact CA-OD2 3.36Å; S865-D942 WeakPolarHBondContact CB-OD1 3.36Å; S865-D942 WeakPolarHBondContact OG-CB 3.37Å; S865-D942 PolarHBondContact OG-OD1 3.46Å; G866-D942 PolarHBondContact N-OD2 3.45Å; N940-D942 PolarHBondContact O-N 3.02Å; N940-D942 WeakPolarHBondContact OD1-CA 3.41Å; N940-D942 WeakPolarHBondContact OD1-CB 3.33Å; N940-D942 PolarHBondContact OD1-N 2.91Å |
| 943 | G | 75.4 | Confident | 88.8 | Confident | 28 Ų | 28 | 47 Ų | 47 | 29% | 0.289 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 151.7 | 177.7 | 167.1 | 0 | 0 | 0 | 0 | 0 | 115 | P869 S939 N940 | P869-G943 VanDerWaalsContact CD-O 3.25Å; P869-G943 WeakPolarHBondContact CD-O 3.38Å; S939-G943 WeakPolarHBondContact CA-O 3.26Å; N940-G943 PolarHBondContact N-O 3.48Å; N940-G943 VanDerWaalsContact N-O 3.08Å; N940-G943 PolarHBondContact O-N 2.84Å; N940-G943 VanDerWaalsContact O-N 3.09Å; N940-G943 PolarHBondContact OD1-N 2.9Å |
| 944 | Q | 83.8 | Confident | 88.6 | Confident | 112 Ų | 112 | 45.3 Ų | 45.3 | 52% | 0.523 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.8 | 170.6 | -74 | 178.6 | -31.7 | 0 | 0 | 110.8 | I937 | I937-Q944 HydrophobicContact CG2-CB 3.94Å; I937-Q944 HydrophobicContact CG2-CG 4.05Å |
| 945 | A | 86.8 | Confident | 88.3 | Confident | 7 Ų | 7 | 45.4 Ų | 45.4 | 6% | 0.058 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -64.7 | 160.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P869 C870 A938 | P869-A945 HydrophobicContact CB-CB 4.22Å; P869-A945 WeakPolarHBondContact O-CA 3.25Å; P869-A945 WeakPolarHBondContact O-CB 3.33Å; C870-A945 WeakPolarHBondContact O-CB 3.24Å; A938-A945 HydrophobicContact CB-CB 4.25Å; A938-A945 WeakPolarHBondContact O-CB 3.26Å; A938-A945 PolarHBondContact O-N 2.86Å |
| 946 | P | 88.6 | Confident | 88.1 | Confident | 76 Ų | 76 | 46.5 Ų | 46.5 | 49% | 0.494 | 26% | 0.262 | S | S | . | . | P | Polyproline II helix | trans | -54.5 | 145.2 | 155.6 | -18.2 | 31.8 | 0 | 0 | 0 | 109.8 | Q871 P872 | Q871-P946 HydrophobicContact CB-CB 4.24Å; Q871-P946 HydrophobicContact CB-CG 4.4Å; Q871-P946 HydrophobicContact CG-CB 4.23Å; P872-P946 WeakPolarHBondContact CD-O 3.19Å |
| 947 | P | 90.8 | Very high | 87.7 | Confident | 45 Ų | 45 | 47.8 Ų | 47.8 | 29% | 0.292 | 27% | 0.27 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 147.4 | 174.3 | -18.4 | 29.7 | 0 | 0 | 0 | 111.6 | Q871 R935 L936 I937 | Q871-P947 VanDerWaalsContact CG-O 3.3Å; Q871-P947 WeakPolarHBondContact CG-O 3.24Å; Q871-P947 PolarHBondContact NE2-O 2.84Å; R935-P947 HydrophobicContact CG-CB 4.32Å; L936-P947 CarbonylContact O-C 3.48Å; L936-P947 WeakPolarHBondContact O-CA 3.47Å; I937-P947 HydrophobicContact CD1-CB 4.41Å; I937-P947 HydrophobicContact CD1-CG 3.92Å; I937-P947 HydrophobicContact CG1-CB 3.94Å; I937-P947 HydrophobicContact CG1-CG 3.96Å |
| 948 | S | 94 | Very high | 87.5 | Confident | 4 Ų | 4 | 49.2 Ų | 49.2 | 3% | 0.028 | 28% | 0.28 | C | S | . | . | P | Polyproline II helix | trans | -51.9 | 158.5 | 168.8 | 76.8 | 0 | 0 | 0 | 0 | 111.1 | P872 R935 L936 | P872-S948 WeakPolarHBondContact O-CA 3.38Å; P872-S948 WeakPolarHBondContact O-CB 3.3Å; R935-S948 VanDerWaalsContact CA-OG 3.32Å; R935-S948 WeakPolarHBondContact CA-OG 3.47Å; L936-S948 PolarHBondContact N-OG 2.86Å; L936-S948 PolarHBondContact O-N 3.35Å |
| 949 | D | 91.9 | Very high | 87.3 | Confident | 109 Ų | 109 | 51 Ų | 51 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 149.1 | 164.5 | -67.3 | -18 | 0 | 0 | 0 | 109.8 | Q871 P874 I951 | Q871-D949 PolarHBondContact NE2-OD1 2.95Å; Q871-D949 VanDerWaalsContact NE2-OD1 3.07Å; P874-D949 HydrophobicContact CG-CB 4.01Å; D949-I951 PolarHBondContact O-N 2.95Å |
| 950 | V | 93.5 | Very high | 87.5 | Confident | 75 Ų | 75 | 50.6 Ų | 50.6 | 46% | 0.455 | 29% | 0.292 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 118.1 | -174 | 174 | 0 | 0 | 0 | 0 | 109.6 | F910 R933 F934 R935 | F910-V950 HydrophobicContact CE2-CG2 3.97Å; F910-V950 HydrophobicContact CZ-CB 4.36Å; F910-V950 HydrophobicContact CZ-CG1 3.76Å; F910-V950 HydrophobicContact CZ-CG2 3.64Å; R933-V950 HydrophobicContact CB-CG1 3.83Å; R933-V950 HydrophobicContact CG-CG1 4.26Å; F934-V950 WeakPolarHBondContact O-CA 3.45Å; R935-V950 HydrophobicContact CB-CG2 4.43Å |
| 951 | I | 93.6 | Very high | 88 | Confident | 49 Ų | 49 | 50.9 Ų | 50.9 | 25% | 0.251 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 150.6 | 172.7 | -166.8 | 155.3 | 0 | 0 | 0 | 109.9 | P874 P875 R933 F934 D949 F953 | P874-I951 HydrophobicContact CB-CB 3.97Å; P874-I951 HydrophobicContact CB-CD1 4.23Å; P874-I951 HydrophobicContact CB-CG2 4.06Å; P875-I951 HydrophobicContact CG-CG2 4.09Å; R933-I951 CarbonylContact C-O 3.47Å; R933-I951 WeakPolarHBondContact CA-O 3.31Å; F934-I951 HydrophobicContact CB-CG2 4.08Å; F934-I951 PolarHBondContact N-O 3.36Å; F934-I951 PolarHBondContact O-N 2.9Å; D949-I951 PolarHBondContact O-N 2.95Å; I951-F953 HydrophobicContact CD1-CE1 3.87Å; I951-F953 HydrophobicContact CD1-CE2 4.27Å; I951-F953 HydrophobicContact CD1-CZ 3.45Å; I951-F953 VanDerWaalsContact CD1-CZ 3.45Å; I951-F953 HydrophobicContact CG1-CE1 3.95Å; I951-F953 HydrophobicContact CG1-CE2 4.14Å; I951-F953 HydrophobicContact CG1-CZ 3.67Å; I951-F953 HydrophobicContact CG2-CD2 4.41Å; I951-F953 HydrophobicContact CG2-CE2 3.73Å; I951-F953 HydrophobicContact CG2-CZ 4.06Å |
| 952 | T | 93.5 | Very high | 88.8 | Confident | 63 Ų | 63 | 47.2 Ų | 47.2 | 39% | 0.387 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 127.6 | 179.6 | -54.2 | 0 | 0 | 0 | 0 | 109.2 | Q931 Y932 R933 | Q931-T952 HydrophobicContact CB-CG2 3.8Å; Q931-T952 HydrophobicContact CG-CG2 4.28Å; Y932-T952 WeakPolarHBondContact O-CA 3.44Å; R933-T952 HydrophobicContact CG-CG2 4.44Å |
| 953 | F | 93.1 | Very high | 89.8 | Confident | 29 Ų | 29 | 45.1 Ų | 45.1 | 13% | 0.127 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 144.3 | 173.4 | -62.9 | -56 | 0 | 0 | 0 | 110.2 | P875 L877 L885 L887 Q931 Y932 F934 I951 | P875-F953 WeakPolarHBondContact O-CE2 3.15Å; P875-F953 WeakPolarHBondContact O-CZ 3.45Å; L877-F953 HydrophobicContact CB-CD1 3.94Å; L877-F953 HydrophobicContact CB-CE1 3.72Å; L877-F953 HydrophobicContact CB-CE2 4.38Å; L877-F953 HydrophobicContact CB-CG 4.37Å; L877-F953 HydrophobicContact CB-CZ 3.95Å; L877-F953 HydrophobicContact CD2-CD1 4.2Å; L885-F953 HydrophobicContact CD1-CB 3.91Å; L887-F953 HydrophobicContact CD1-CD2 4.23Å; L887-F953 HydrophobicContact CD1-CE2 4.31Å; L887-F953 HydrophobicContact CD2-CD2 3.52Å; L887-F953 HydrophobicContact CD2-CE2 3.65Å; L887-F953 HydrophobicContact CD2-CG 4.42Å; Q931-F953 WeakPolarHBondContact CA-O 3.26Å; Y932-F953 PolarHBondContact N-O 3.27Å; Y932-F953 PolarHBondContact O-N 3.31Å; F934-F953 HydrophobicContact CD2-CB 4.36Å; F934-F953 AromaticContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CD2 3.71Å; F934-F953 HydrophobicContact CD2-CG 4.49Å; F934-F953 HydrophobicContact CE2-CB 4.16Å; F934-F953 HydrophobicContact CE2-CD2 4.14Å; I951-F953 HydrophobicContact CD1-CE1 3.87Å; I951-F953 HydrophobicContact CD1-CE2 4.27Å; I951-F953 HydrophobicContact CD1-CZ 3.45Å; I951-F953 VanDerWaalsContact CD1-CZ 3.45Å; I951-F953 HydrophobicContact CG1-CE1 3.95Å; I951-F953 HydrophobicContact CG1-CE2 4.14Å; I951-F953 HydrophobicContact CG1-CZ 3.67Å; I951-F953 HydrophobicContact CG2-CD2 4.41Å; I951-F953 HydrophobicContact CG2-CE2 3.73Å; I951-F953 HydrophobicContact CG2-CZ 4.06Å |
| 954 | C | 90.3 | Very high | 90.5 | Very high | 53 Ų | 53 | 45 Ų | 45 | 36% | 0.358 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 134.3 | 173 | -161.5 | 0 | 0 | 0 | 0 | 109.1 | C929 K930 Q931 | C929-C954 PolarHBondContact O-SG 3.08Å; K930-C954 WeakPolarHBondContact O-CA 3.41Å; Q931-C954 HydrophobicContact CG-CB 4.31Å |
| 955 | T | 90.4 | Very high | 91 | Very high | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | P | Polyproline II helix | trans | -61.7 | 151.4 | 160.7 | 45.1 | 0 | 0 | 0 | 0 | 109.8 | K881 A882 L885 L926 Q927 R928 C929 K930 Y932 | K881-T955 WeakPolarHBondContact O-CA 3.44Å; A882-T955 WeakPolarHBondContact O-CB 3.41Å; L885-T955 HydrophobicContact CD1-CG2 4.22Å; L885-T955 HydrophobicContact CD2-CG2 4.29Å; L885-T955 HydrophobicContact CG-CG2 3.97Å; L926-T955 HydrophobicContact CB-CG2 3.63Å; L926-T955 HydrophobicContact CD1-CG2 3.77Å; L926-T955 HydrophobicContact CG-CG2 4.37Å; Q927-T955 WeakPolarHBondContact O-CB 3.41Å; Q927-T955 PolarHBondContact O-OG1 3.21Å; R928-T955 VanDerWaalsContact C-OG1 3.25Å; R928-T955 WeakPolarHBondContact CA-OG1 3.47Å; C929-T955 WeakPolarHBondContact CA-O 3.42Å; C929-T955 PolarHBondContact N-O 3.46Å; C929-T955 PolarHBondContact N-OG1 3.19Å; K930-T955 PolarHBondContact N-OG1 3.39Å; K930-T955 PolarHBondContact O-N 3.03Å; K930-T955 VanDerWaalsContact O-N 3.13Å; K930-T955 PolarHBondContact O-OG1 3.13Å; Y932-T955 HydrophobicContact CD2-CG2 4.37Å; Y932-T955 HydrophobicContact CE2-CG2 4.25Å |
| 956 | L | 89.2 | Confident | 91.3 | Very high | 88 Ų | 88 | 42.9 Ų | 42.9 | 46% | 0.461 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -67.1 | 147.3 | 174.4 | -61 | -173.7 | 0 | 0 | 0 | 110.4 | A880 K881 A882 C929 | A880-L956 HydrophobicContact CB-CD1 4.49Å; A880-L956 HydrophobicContact CB-CD2 4.04Å; A880-L956 HydrophobicContact CB-CG 3.85Å; A880-L956 VanDerWaalsContact O-CD1 3.23Å; A880-L956 WeakPolarHBondContact O-CD1 3.41Å; K881-L956 PolarHBondContact O-N 3.05Å; A882-L956 WeakPolarHBondContact CA-O 3.03Å; A882-L956 WeakPolarHBondContact CB-O 3.5Å; C929-L956 PolarHBondContact N-O 2.81Å |
| 957 | P | 87.2 | Confident | 91.5 | Very high | 27 Ų | 27 | 42 Ų | 42 | 18% | 0.175 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -64.1 | 148.7 | 160.5 | 26.2 | -32 | 0 | 0 | 0 | 110.5 | C929 G988 A1040 G1041 | C929-P957 HydrophobicContact CB-CB 4.15Å; P957-G988 CarbonylContact C-O 3.57Å; P957-G988 VanDerWaalsContact CA-O 3.27Å; P957-G988 WeakPolarHBondContact CA-O 3.26Å; P957-A1040 HydrophobicContact CG-CB 3.77Å; P957-G1041 WeakPolarHBondContact O-CA 3.42Å |
| 958 | T | 87.6 | Confident | 91.5 | Very high | 46 Ų | 46 | 42.2 Ų | 42.2 | 28% | 0.282 | 27% | 0.266 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 165.1 | 163.2 | 63.3 | 0 | 0 | 0 | 0 | 109.8 | A882 R928 G988 G1041 | A882-T958 HydrophobicContact CB-CG2 3.38Å; R928-T958 PolarHBondContact NH1-OG1 2.78Å; T958-G988 PolarHBondContact N-O 2.89Å; T958-G988 WeakPolarHBondContact O-CA 3.04Å; T958-G988 VanDerWaalsContact OG1-CA 3.25Å; T958-G988 WeakPolarHBondContact OG1-CA 3.07Å; T958-G1041 WeakPolarHBondContact O-CA 3.38Å |
| 959 | A | 87.6 | Confident | 91.3 | Very high | 38 Ų | 38 | 47.4 Ų | 47.4 | 31% | 0.314 | 29% | 0.289 | S | S | . | . | P | Polyproline II helix | trans | -54.1 | 142 | 158.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | G1041 | A959-G1041 PolarHBondContact N-O 3.48Å; A959-G1041 VanDerWaalsContact N-O 3.14Å |
| 960 | P | 90.5 | Very high | 91 | Very high | 3 Ų | 3 | 45.1 Ų | 45.1 | 2% | 0.019 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 163.4 | 173.2 | -23.1 | 34.2 | 0 | 0 | 0 | 112.1 | P984 D986 V993 G1042 S1044 | P960-P984 HydrophobicContact CB-CB 4.42Å; P960-P984 HydrophobicContact CB-CG 4.21Å; P960-D986 CarbonylContact C-O 3.55Å; P960-D986 VanDerWaalsContact CA-O 3.3Å; P960-D986 WeakPolarHBondContact CA-O 3.47Å; P960-D986 WeakPolarHBondContact CB-O 3.12Å; P960-V993 HydrophobicContact CG-CG1 4.25Å; P960-G1042 WeakPolarHBondContact CD-O 3.21Å; P960-S1044 WeakPolarHBondContact O-CB 3.33Å |
| 961 | S | 91.9 | Very high | 90.5 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 167.3 | 165.1 | 76.8 | 0 | 0 | 0 | 0 | 110.6 | P984 N985 D986 S1044 | S961-P984 WeakPolarHBondContact O-CB 3.15Å; S961-P984 WeakPolarHBondContact OG-CB 3.12Å; S961-N985 PolarHBondContact OG-N 2.88Å; S961-D986 PolarHBondContact N-O 2.92Å; S961-S1044 WeakPolarHBondContact O-CB 3.43Å |
| 962 | C | 92.3 | Very high | 89.9 | Confident | 56 Ų | 56 | 51.1 Ų | 51.1 | 38% | 0.378 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -56.4 | 144 | 164.2 | 50.3 | 0 | 0 | 0 | 0 | 110.5 | P1045 | C962-P1045 WeakPolarHBondContact CA-O 3.09Å; C962-P1045 HydrophobicContact CB-CB 4.48Å; C962-P1045 WeakPolarHBondContact CB-O 3.46Å |
| 963 | P | 93.6 | Very high | 89.6 | Confident | 4 Ų | 4 | 51.7 Ų | 51.7 | 3% | 0.026 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 166.3 | 168.2 | -12.8 | 27.8 | 0 | 0 | 0 | 111.2 | N982 Y996 V1035 C1037 S1047 | P963-N982 WeakPolarHBondContact CB-O 3.49Å; P963-Y996 HydrophobicContact CB-CE1 4.3Å; P963-Y996 HydrophobicContact CG-CD1 4.19Å; P963-Y996 HydrophobicContact CG-CE1 4.17Å; P963-V1035 HydrophobicContact CB-CG1 3.81Å; P963-V1035 HydrophobicContact CG-CG1 3.99Å; P963-V1035 HydrophobicContact CG-CG2 4.4Å; P963-C1037 HydrophobicContact CG-CB 3.82Å; P963-S1047 WeakPolarHBondContact O-CB 3.12Å |
| 964 | G | 90.6 | Very high | 89.3 | Confident | 24 Ų | 24 | 51.6 Ų | 51.6 | 25% | 0.247 | 31% | 0.307 | C | S | . | . | P | Polyproline II helix | trans | -62.4 | 148.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | W981 N982 | G964-W981 WeakPolarHBondContact O-CB 3.42Å; G964-N982 PolarHBondContact N-O 3.15Å; G964-N982 VanDerWaalsContact N-O 3.09Å |
| 965 | T | 93.6 | Very high | 89.2 | Confident | 72 Ų | 72 | 52.5 Ų | 52.5 | 44% | 0.442 | 31% | 0.311 | S | S | . | . | P | Polyproline II helix | trans | -49.5 | 124.2 | -178.7 | -44.2 | 0 | 0 | 0 | 0 | 111.7 | A967 D1048 | T965-A967 PolarHBondContact O-N 2.83Å; T965-D1048 HydrophobicContact CG2-CB 4.09Å |
| 966 | P | 94.3 | Very high | 89.2 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.026 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -68.8 | 131.1 | -177.2 | 25.8 | -32 | 0 | 0 | 0 | 110.6 | I979 W981 L998 C1033 V1035 S1047 G1050 | P966-I979 HydrophobicContact CB-CG2 3.64Å; P966-W981 HydrophobicContact CB-CB 4.45Å; P966-L998 HydrophobicContact CB-CD1 4.38Å; P966-C1033 HydrophobicContact CG-CB 4.39Å; P966-V1035 HydrophobicContact CB-CG1 4.48Å; P966-V1035 HydrophobicContact CG-CG1 4.42Å; P966-S1047 WeakPolarHBondContact CD-OG 3.39Å; P966-G1050 WeakPolarHBondContact O-CA 3.2Å |
| 967 | A | 92.5 | Very high | 89.4 | Confident | 56 Ų | 56 | 51.7 Ų | 51.7 | 46% | 0.463 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 153.1 | -175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T965 I979 V980 | T965-A967 PolarHBondContact O-N 2.83Å; A967-I979 WeakPolarHBondContact O-CA 3.37Å; A967-V980 PolarHBondContact N-O 2.91Å; A967-V980 PolarHBondContact O-N 2.79Å |
| 968 | V | 91.3 | Very high | 89.7 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 30% | 0.303 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 131.9 | 170.9 | 176.5 | 0 | 0 | 0 | 0 | 109.4 | L972 K978 I979 F1052 | V968-L972 HydrophobicContact CG1-CB 4.21Å; V968-L972 HydrophobicContact CG1-CD1 4.01Å; V968-L972 HydrophobicContact CG2-CD1 4.33Å; V968-K978 WeakPolarHBondContact CA-O 3.32Å; V968-I979 HydrophobicContact CG2-CD1 3.82Å; V968-F1052 HydrophobicContact CG2-CB 3.53Å; V968-F1052 HydrophobicContact CG2-CD1 4.05Å; V968-F1052 HydrophobicContact CG2-CD2 4.04Å; V968-F1052 HydrophobicContact CG2-CG 3.61Å |
| 969 | H | 89.9 | Confident | 90 | Very high | 113 Ų | 113 | 51 Ų | 51 | 52% | 0.523 | 30% | 0.296 | S | S | . | . | trans | -111.2 | 138.9 | 174.3 | -174.7 | 92.4 | 0 | 0 | 0 | 111.4 | K978 V980 | H969-K978 PolarHBondContact N-O 3.34Å; H969-V980 HydrophobicContact CB-CB 4.19Å; H969-V980 HydrophobicContact CB-CG2 3.39Å | ||
| 970 | G | 85.7 | Confident | 90.4 | Very high | 62 Ų | 62 | 51 Ų | 51 | 64% | 0.639 | 29% | 0.291 | S | S | * | . | S | Bend | trans | 75.6 | -159.2 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | L972 | G970-L972 PolarHBondContact O-N 3.07Š|
| 971 | R | 81.1 | Confident | 90.7 | Very high | 208 Ų | 208 | 51 Ų | 51 | 79% | 0.785 | 29% | 0.291 | S | S | * | . | S | Bend | trans | -75.2 | 119.5 | 176.7 | 173.7 | 178 | -85.7 | -164.6 | -4.6 | 109.4 | ||
| 972 | L | 82.4 | Confident | 90.7 | Very high | 41 Ų | 41 | 55 Ų | 55 | 22% | 0.215 | 31% | 0.309 | C | S | . | . | trans | -64.2 | 146.5 | 170.7 | -173.1 | 51.8 | 0 | 0 | 0 | 110.7 | V968 G970 A977 F1052 T1053 | V968-L972 HydrophobicContact CG1-CB 4.21Å; V968-L972 HydrophobicContact CG1-CD1 4.01Å; V968-L972 HydrophobicContact CG2-CD1 4.33Å; G970-L972 PolarHBondContact O-N 3.07Å; L972-A977 HydrophobicContact CD1-CB 3.64Å; L972-F1052 HydrophobicContact CD1-CD2 4.21Å; L972-T1053 WeakPolarHBondContact CD2-O 3.22Å | ||
| 973 | H | 86.5 | Confident | 90.7 | Very high | 75 Ų | 75 | 53.9 Ų | 53.9 | 35% | 0.347 | 30% | 0.301 | S | S | . | . | trans | -122.5 | -178.4 | 177.3 | -61.5 | -55.5 | 0 | 0 | 0 | 110.7 | Q976 M1055 | H973-Q976 HydrophobicContact CB-CG 3.68Å; H973-Q976 WeakPolarHBondContact CB-O 3.45Å; H973-Q976 PolarHBondContact CD2-NE2 3.32Å; H973-Q976 PolarHBondContact N-O 2.8Å; H973-M1055 PolarHBondContact O-N 3.23Å | ||
| 974 | S | 86.3 | Confident | 90.7 | Very high | 28 Ų | 28 | 53.9 Ų | 53.9 | 20% | 0.196 | 30% | 0.301 | C | S | . | . | S | Bend | trans | -84.7 | -44.4 | -177.4 | 47.8 | 0 | 0 | 0 | 0 | 113.6 | P1027 T1054 M1055 V1057 | S974-P1027 WeakPolarHBondContact O-CA 3.19Å; S974-T1054 VanDerWaalsContact O-CB 3.3Å; S974-T1054 WeakPolarHBondContact O-CB 3.48Å; S974-M1055 WeakPolarHBondContact CA-O 3.26Å; S974-M1055 WeakPolarHBondContact CB-O 3.39Å; S974-V1057 WeakPolarHBondContact OG-CG1 3.21Å |
| 975 | T | 88.2 | Confident | 90.6 | Very high | 72 Ų | 72 | 60.8 Ų | 60.8 | 44% | 0.442 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -105.1 | -1.6 | -177.2 | 53.8 | 0 | 0 | 0 | 0 | 114 | T1023 N1024 L1025 P1027 | T975-T1023 CarbonylContact O-C 3.59Å; T975-T1023 WeakPolarHBondContact O-CA 3.16Å; T975-N1024 PolarHBondContact O-N 2.88Å; T975-L1025 WeakPolarHBondContact CA-O 3.46Å; T975-L1025 PolarHBondContact O-N 3.43Å; T975-P1027 HydrophobicContact CG2-CG 4.31Å |
| 976 | Q | 91.1 | Very high | 90.4 | Very high | 71 Ų | 71 | 59.6 Ų | 59.6 | 33% | 0.332 | 32% | 0.324 | S | S | . | . | trans | -150.5 | 150.9 | -174.1 | 67.7 | 176.2 | -0.6 | 0 | 0 | 112.2 | H973 L1022 T1023 | H973-Q976 HydrophobicContact CB-CG 3.68Å; H973-Q976 WeakPolarHBondContact CB-O 3.45Å; H973-Q976 PolarHBondContact CD2-NE2 3.32Å; H973-Q976 PolarHBondContact N-O 2.8Å; Q976-L1022 CarbonylContact C-O 3.58Å; Q976-L1022 WeakPolarHBondContact CA-O 3.28Å; Q976-L1022 WeakPolarHBondContact CB-O 3.27Å; Q976-T1023 HydrophobicContact CB-CG2 4.39Å | ||
| 977 | A | 92.2 | Very high | 90.1 | Very high | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 126.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | L972 I979 Q1021 L1022 L1025 F1052 | L972-A977 HydrophobicContact CD1-CB 3.64Å; A977-I979 HydrophobicContact CB-CD1 4.12Å; A977-I979 PolarHBondContact O-N 2.62Å; A977-Q1021 PolarHBondContact O-NE2 3.12Å; A977-L1022 PolarHBondContact N-O 3.17Å; A977-L1022 WeakPolarHBondContact O-CB 3.32Å; A977-L1022 PolarHBondContact O-N 2.86Å; A977-L1025 HydrophobicContact CB-CD1 3.88Å; A977-F1052 HydrophobicContact CB-CD2 4.31Å; A977-F1052 HydrophobicContact CB-CE2 3.7Å; A977-F1052 HydrophobicContact CB-CZ 4.1Å |
| 978 | K | 93.9 | Very high | 89.7 | Confident | 59 Ų | 59 | 59.5 Ų | 59.5 | 26% | 0.257 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.9 | 114 | 171.7 | -169.4 | 176.1 | -179.1 | 179.5 | 0 | 108.6 | V968 H969 V980 E1019 | V968-K978 WeakPolarHBondContact CA-O 3.32Å; H969-K978 PolarHBondContact N-O 3.34Å; K978-V980 HydrophobicContact CG-CG2 4.41Å; K978-E1019 WeakPolarHBondContact CE-OE1 3.39Å; K978-E1019 WeakPolarHBondContact CE-OE2 3.39Å; K978-E1019 IonicContact NZ-OE1 2.94Å; K978-E1019 PolarHBondContact NZ-OE1 3.35Å; K978-E1019 IonicContact NZ-OE2 2.65Å; K978-E1019 PolarHBondContact NZ-OE2 2.89Å |
| 979 | I | 94.8 | Very high | 89.1 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 134.2 | 177.3 | -52.9 | -56.1 | 0 | 0 | 0 | 108.6 | P966 A967 V968 A977 W981 L998 E1019 F1020 L1022 F1052 | P966-I979 HydrophobicContact CB-CG2 3.64Å; A967-I979 WeakPolarHBondContact O-CA 3.37Å; V968-I979 HydrophobicContact CG2-CD1 3.82Å; A977-I979 HydrophobicContact CB-CD1 4.12Å; A977-I979 PolarHBondContact O-N 2.62Å; I979-W981 HydrophobicContact CB-CZ3 4.43Å; I979-W981 HydrophobicContact CG2-CE3 4.08Å; I979-W981 HydrophobicContact CG2-CZ3 4.19Å; I979-L998 HydrophobicContact CB-CD2 4.27Å; I979-L998 HydrophobicContact CG2-CD1 4.27Å; I979-L998 HydrophobicContact CG2-CD2 4.34Å; I979-E1019 CarbonylContact O-C 3.45Å; I979-E1019 VanDerWaalsContact O-CA 3.27Å; I979-E1019 WeakPolarHBondContact O-CA 3.48Å; I979-F1020 PolarHBondContact N-O 3.46Å; I979-F1020 PolarHBondContact O-N 3.45Å; I979-L1022 HydrophobicContact CD1-CD1 4.05Å; I979-L1022 HydrophobicContact CG1-CD1 3.46Å; I979-L1022 VanDerWaalsContact CG1-CD1 3.46Å; I979-L1022 HydrophobicContact CG1-CG 3.81Å; I979-F1052 HydrophobicContact CD1-CD1 4.01Å; I979-F1052 HydrophobicContact CD1-CE1 3.66Å; I979-F1052 HydrophobicContact CD1-CZ 4.06Å |
| 980 | V | 96 | Very high | 88.8 | Confident | 37 Ų | 37 | 54.9 Ų | 54.9 | 22% | 0.224 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 142.7 | 179.4 | -177.5 | 0 | 0 | 0 | 0 | 108.4 | A967 H969 K978 E1019 | A967-V980 PolarHBondContact N-O 2.91Å; A967-V980 PolarHBondContact O-N 2.79Å; H969-V980 HydrophobicContact CB-CB 4.19Å; H969-V980 HydrophobicContact CB-CG2 3.39Å; K978-V980 HydrophobicContact CG-CG2 4.41Å; V980-E1019 HydrophobicContact CG2-CB 3.84Å |
| 981 | W | 95.6 | Very high | 88.7 | Confident | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.015 | 31% | 0.312 | C | S | . | . | trans | -134.8 | 152.3 | 176.1 | 50.7 | 94.5 | 0 | 0 | 0 | 110.9 | G964 P966 I979 Y996 L998 Y1013 Q1017 R1018 F1020 V1035 | G964-W981 WeakPolarHBondContact O-CB 3.42Å; P966-W981 HydrophobicContact CB-CB 4.45Å; I979-W981 HydrophobicContact CB-CZ3 4.43Å; I979-W981 HydrophobicContact CG2-CE3 4.08Å; I979-W981 HydrophobicContact CG2-CZ3 4.19Å; W981-Y996 AromaticContact CD1-CD1 3.65Å; W981-Y996 AromaticContact CD1-CE1 3.86Å; W981-Y996 HydrophobicContact CZ2-CG 4.43Å; W981-Y996 AromaticContact NE1-CD1 3.07Å; W981-Y996 AromaticContact NE1-CE1 3.64Å; W981-Y996 AromaticContact NE1-CG 3.4Å; W981-L998 HydrophobicContact CE3-CD1 4.38Å; W981-L998 HydrophobicContact CH2-CB 4.31Å; W981-L998 HydrophobicContact CH2-CD2 4.34Å; W981-L998 HydrophobicContact CZ3-CD1 4.17Å; W981-L998 HydrophobicContact CZ3-CD2 3.96Å; W981-L998 HydrophobicContact CZ3-CG 4.45Å; W981-Y1013 AromaticContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CE1 4.03Å; W981-Y1013 HydrophobicContact CZ2-CD1 4.12Å; W981-Y1013 AromaticContact CZ2-CE1 3.9Å; W981-Y1013 HydrophobicContact CZ2-CE1 3.9Å; W981-Q1017 VanDerWaalsContact CZ2-O 3.28Å; W981-Q1017 WeakPolarHBondContact CZ2-O 3.36Å; W981-R1018 PolarHBondContact N-O 2.87Å; W981-R1018 VanDerWaalsContact N-O 3.12Å; W981-F1020 HydrophobicContact CH2-CB 3.92Å; W981-F1020 HydrophobicContact CZ3-CB 4.18Å; W981-V1035 HydrophobicContact CB-CG1 3.91Å; W981-V1035 HydrophobicContact CD2-CB 4.38Å; W981-V1035 HydrophobicContact CD2-CG1 4.41Å; W981-V1035 HydrophobicContact CD2-CG2 4Å; W981-V1035 HydrophobicContact CG-CB 4.35Å; W981-V1035 HydrophobicContact CG-CG1 3.89Å; W981-V1035 HydrophobicContact CG-CG2 4.12Å; W981-V1035 HydrophobicContact CZ2-CG2 4.32Å | ||
| 982 | N | 93.3 | Very high | 88.8 | Confident | 117 Ų | 117 | 54.6 Ų | 54.6 | 63% | 0.626 | 30% | 0.299 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 151.1 | 170.8 | -68.9 | -23.5 | 0 | 0 | 0 | 109.6 | P963 G964 | P963-N982 WeakPolarHBondContact CB-O 3.49Å; G964-N982 PolarHBondContact N-O 3.15Å; G964-N982 VanDerWaalsContact N-O 3.09Å |
| 983 | P | 92.7 | Very high | 89 | Confident | 33 Ų | 33 | 53.1 Ų | 53.1 | 21% | 0.214 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -58 | 163.7 | 169 | 29.4 | -36.7 | 0 | 0 | 0 | 110.8 | F987 | P983-F987 HydrophobicContact CB-CE1 3.98Å; P983-F987 HydrophobicContact CB-CZ 3.92Å; P983-F987 HydrophobicContact CG-CZ 4.5Å |
| 984 | P | 91.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 54.4 Ų | 54.4 | 3% | 0.026 | 30% | 0.301 | C | S | . | . | P | Polyproline II helix | trans | -58.1 | 151.5 | 167.7 | 29.2 | -37 | 0 | 0 | 0 | 110.9 | P960 S961 D986 F987 V993 | P960-P984 HydrophobicContact CB-CB 4.42Å; P960-P984 HydrophobicContact CB-CG 4.21Å; S961-P984 WeakPolarHBondContact O-CB 3.15Å; S961-P984 WeakPolarHBondContact OG-CB 3.12Å; P984-D986 WeakPolarHBondContact CB-O 3.36Å; P984-D986 PolarHBondContact O-N 3.49Å; P984-F987 HydrophobicContact CG-CD1 3.9Å; P984-F987 HydrophobicContact CG-CE1 3.97Å; P984-V993 HydrophobicContact CG-CG2 3.77Å |
| 985 | N | 89.9 | Confident | 89.5 | Confident | 169 Ų | 169 | 55.2 Ų | 55.2 | 90% | 0.904 | 30% | 0.302 | S | S | * | . | S | Bend | trans | -69.7 | -12.8 | 170 | -69.9 | -28.8 | 0 | 0 | 0 | 111.9 | S961 | S961-N985 PolarHBondContact OG-N 2.88Š|
| 986 | D | 88.9 | Confident | 89.8 | Confident | 48 Ų | 48 | 51.9 Ų | 51.9 | 26% | 0.257 | 28% | 0.281 | S | S | . | . | trans | -146.7 | 111.3 | -172.3 | -175.4 | -17.3 | 0 | 0 | 0 | 109.8 | R928 P960 S961 P984 G988 | R928-D986 VanDerWaalsContact CZ-CG 3.48Å; R928-D986 IonicContact CZ-OD1 3.19Å; R928-D986 IonicContact CZ-OD2 2.71Å; R928-D986 IonicContact NE-OD1 2.72Å; R928-D986 IonicContact NH1-OD1 3.65Å; R928-D986 PolarHBondContact NH1-OD1 2.89Å; R928-D986 IonicContact NH1-OD2 3.51Å; R928-D986 PolarHBondContact NH1-OD2 3.15Å; R928-D986 IonicContact NH2-OD1 2.99Å; R928-D986 PolarHBondContact NH2-OD1 2.95Å; R928-D986 IonicContact NH2-OD2 3.81Å; R928-D986 PolarHBondContact NH2-OD2 2.97Å; P960-D986 CarbonylContact C-O 3.55Å; P960-D986 VanDerWaalsContact CA-O 3.3Å; P960-D986 WeakPolarHBondContact CA-O 3.47Å; P960-D986 WeakPolarHBondContact CB-O 3.12Å; S961-D986 PolarHBondContact N-O 2.92Å; P984-D986 WeakPolarHBondContact CB-O 3.36Å; P984-D986 PolarHBondContact O-N 3.49Å; D986-G988 PolarHBondContact O-N 3.37Å; D986-G988 PolarHBondContact OD1-N 2.85Å | ||
| 987 | F | 88 | Confident | 90.1 | Very high | 58 Ų | 58 | 49 Ų | 49 | 25% | 0.254 | 27% | 0.268 | S | S | . | . | trans | -81.4 | 8.4 | -178.9 | -60.5 | -82.7 | 0 | 0 | 0 | 113.6 | P983 P984 G989 C990 V993 | P983-F987 HydrophobicContact CB-CE1 3.98Å; P983-F987 HydrophobicContact CB-CZ 3.92Å; P983-F987 HydrophobicContact CG-CZ 4.5Å; P984-F987 HydrophobicContact CG-CD1 3.9Å; P984-F987 HydrophobicContact CG-CE1 3.97Å; F987-G989 PolarHBondContact O-N 2.8Å; F987-C990 WeakPolarHBondContact CB-O 3.43Å; F987-V993 HydrophobicContact CD1-CG2 3.57Å; F987-V993 HydrophobicContact CE1-CG2 4.01Å | ||
| 988 | G | 83.6 | Confident | 90.3 | Very high | 0 Ų | 0 | 48.9 Ų | 48.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 74.8 | 11.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.6 | R928 P957 T958 D986 | R928-G988 WeakPolarHBondContact CD-O 3.3Å; P957-G988 CarbonylContact C-O 3.57Å; P957-G988 VanDerWaalsContact CA-O 3.27Å; P957-G988 WeakPolarHBondContact CA-O 3.26Å; T958-G988 PolarHBondContact N-O 2.89Å; T958-G988 WeakPolarHBondContact O-CA 3.04Å; T958-G988 VanDerWaalsContact OG1-CA 3.25Å; T958-G988 WeakPolarHBondContact OG1-CA 3.07Å; D986-G988 PolarHBondContact O-N 3.37Å; D986-G988 PolarHBondContact OD1-N 2.85Å |
| 989 | G | 80.2 | Confident | 90.3 | Very high | 32 Ų | 32 | 47.1 Ų | 47.1 | 33% | 0.33 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 106.8 | -14.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | C929 F987 | C929-G989 VanDerWaalsContact CB-C 3.49Å; C929-G989 WeakPolarHBondContact CB-O 3.39Å; F987-G989 PolarHBondContact O-N 2.8Å |
| 990 | C | 82.6 | Confident | 90.3 | Very high | 33 Ų | 33 | 47.4 Ų | 47.4 | 22% | 0.223 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -79.8 | 167.7 | 172.8 | -59.5 | 0 | 0 | 0 | 0 | 111.2 | F987 | F987-C990 WeakPolarHBondContact CB-O 3.43Š|
| 991 | D | 82.9 | Confident | 90.1 | Very high | 167 Ų | 167 | 47.6 Ų | 47.6 | 89% | 0.893 | 26% | 0.26 | S | S | * | . | S | Bend | trans | -78.6 | -24.5 | 177.3 | -65.9 | -53.9 | 0 | 0 | 0 | 114 | ||
| 992 | D | 84.5 | Confident | 89.9 | Confident | 98 Ų | 98 | 50.5 Ų | 50.5 | 52% | 0.524 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -153.1 | -174.3 | 177.5 | -155.7 | -10.4 | 0 | 0 | 0 | 110.2 | ||
| 993 | V | 86.7 | Confident | 89.7 | Confident | 10 Ų | 10 | 50.6 Ų | 50.6 | 6% | 0.061 | 27% | 0.269 | C | S | . | . | trans | -112.4 | 138.2 | 178.5 | -159.9 | 0 | 0 | 0 | 0 | 112 | P960 P984 F987 E995 Y996 C1037 K1038 | P960-V993 HydrophobicContact CG-CG1 4.25Å; P984-V993 HydrophobicContact CG-CG2 3.77Å; F987-V993 HydrophobicContact CD1-CG2 3.57Å; F987-V993 HydrophobicContact CE1-CG2 4.01Å; V993-E995 PolarHBondContact O-N 3.26Å; V993-Y996 HydrophobicContact CB-CE2 4.31Å; V993-C1037 HydrophobicContact CB-CB 4.34Å; V993-C1037 HydrophobicContact CG1-CB 3.62Å; V993-C1037 HydrophobicContact CG2-CB 4.34Å; V993-K1038 WeakPolarHBondContact CG1-O 3.48Å | ||
| 994 | D | 88.9 | Confident | 89.1 | Confident | 102 Ų | 102 | 53.4 Ų | 53.4 | 55% | 0.545 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -65.7 | -40 | -177.2 | -49.2 | -60.6 | 0 | 0 | 0 | 112.7 | K1038 G1039 A1040 | D994-K1038 WeakPolarHBondContact CB-O 3.15Å; D994-K1038 PolarHBondContact N-O 3.33Å; D994-K1038 VanDerWaalsContact N-O 3.15Å; D994-G1039 WeakPolarHBondContact OD2-CA 3.43Å; D994-A1040 PolarHBondContact OD2-N 2.63Å; D994-A1040 VanDerWaalsContact OD2-N 3.08Å |
| 995 | E | 93.6 | Very high | 88.7 | Confident | 44 Ų | 44 | 54.6 Ų | 54.6 | 21% | 0.206 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 138.6 | -169.3 | -164.5 | -160.2 | 136.6 | 0 | 0 | 112.2 | V993 C1037 K1038 | V993-E995 PolarHBondContact O-N 3.26Å; E995-C1037 CarbonylContact O-C 3.59Å; E995-C1037 VanDerWaalsContact O-CA 3.23Å; E995-C1037 WeakPolarHBondContact O-CA 3.21Å; E995-K1038 HydrophobicContact CB-CB 4.37Å; E995-K1038 PolarHBondContact N-O 2.74Å; E995-K1038 PolarHBondContact O-N 3.42Å; E995-K1038 IonicContact OE2-NZ 3.13Å; E995-K1038 PolarHBondContact OE2-NZ 2.83Å |
| 996 | Y | 95.7 | Very high | 88.1 | Confident | 2 Ų | 2 | 52.2 Ų | 52.2 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 128.5 | 165.5 | -65.1 | -95.4 | 0 | 0 | 0 | 110.1 | P963 W981 V993 A1014 G1015 R1018 V1035 R1036 C1037 | P963-Y996 HydrophobicContact CB-CE1 4.3Å; P963-Y996 HydrophobicContact CG-CD1 4.19Å; P963-Y996 HydrophobicContact CG-CE1 4.17Å; W981-Y996 AromaticContact CD1-CD1 3.65Å; W981-Y996 AromaticContact CD1-CE1 3.86Å; W981-Y996 HydrophobicContact CZ2-CG 4.43Å; W981-Y996 AromaticContact NE1-CD1 3.07Å; W981-Y996 AromaticContact NE1-CE1 3.64Å; W981-Y996 AromaticContact NE1-CG 3.4Å; V993-Y996 HydrophobicContact CB-CE2 4.31Å; Y996-A1014 WeakPolarHBondContact O-CA 3.24Å; Y996-G1015 WeakPolarHBondContact CB-O 3.38Å; Y996-G1015 PolarHBondContact N-O 3.18Å; Y996-G1015 PolarHBondContact O-N 3.33Å; Y996-R1018 HydrophobicContact CD2-CG 4.47Å; Y996-R1018 HydrophobicContact CE2-CG 3.91Å; Y996-V1035 HydrophobicContact CD1-CG2 4.23Å; Y996-R1036 CarbonylContact C-O 3.47Å; Y996-R1036 WeakPolarHBondContact CA-O 3.37Å; Y996-C1037 HydrophobicContact CD1-CB 3.51Å; Y996-C1037 HydrophobicContact CE1-CB 3.63Å; Y996-C1037 HydrophobicContact CG-CB 4.17Å |
| 997 | T | 96 | Very high | 87.4 | Confident | 10 Ų | 10 | 55.3 Ų | 55.3 | 6% | 0.061 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 111.6 | 171 | -38.5 | 0 | 0 | 0 | 0 | 109.5 | Y1013 V1035 R1036 | T997-Y1013 WeakPolarHBondContact CA-O 3.39Å; T997-V1035 WeakPolarHBondContact O-CA 3.12Å; T997-R1036 PolarHBondContact N-O 2.81Å; T997-R1036 PolarHBondContact O-N 3.42Å |
| 998 | L | 96.1 | Very high | 87.2 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 129.5 | 171.4 | -176.5 | 68.3 | 0 | 0 | 0 | 109.7 | P966 I979 W981 V1000 V1012 Y1013 F1020 L1022 V1035 | P966-L998 HydrophobicContact CB-CD1 4.38Å; I979-L998 HydrophobicContact CB-CD2 4.27Å; I979-L998 HydrophobicContact CG2-CD1 4.27Å; I979-L998 HydrophobicContact CG2-CD2 4.34Å; W981-L998 HydrophobicContact CE3-CD1 4.38Å; W981-L998 HydrophobicContact CH2-CB 4.31Å; W981-L998 HydrophobicContact CH2-CD2 4.34Å; W981-L998 HydrophobicContact CZ3-CD1 4.17Å; W981-L998 HydrophobicContact CZ3-CD2 3.96Å; W981-L998 HydrophobicContact CZ3-CG 4.45Å; L998-V1000 HydrophobicContact CG-CG2 4.49Å; L998-V1012 HydrophobicContact CB-CG2 4.2Å; L998-V1012 HydrophobicContact CD2-CG2 3.93Å; L998-V1012 HydrophobicContact CG-CG2 3.91Å; L998-V1012 WeakPolarHBondContact O-CG2 3.46Å; L998-V1012 PolarHBondContact O-N 2.95Å; L998-Y1013 HydrophobicContact CB-CD1 4.3Å; L998-Y1013 PolarHBondContact N-O 2.96Å; L998-F1020 HydrophobicContact CD2-CB 4.21Å; L998-F1020 HydrophobicContact CD2-CD1 4.13Å; L998-L1022 HydrophobicContact CD2-CD2 4.11Å; L998-V1035 HydrophobicContact CD1-CB 4.1Å |
| 999 | Q | 95.4 | Very high | 87.6 | Confident | 21 Ų | 21 | 58.8 Ų | 58.8 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 140.7 | 172 | -72.9 | -166 | -23.4 | 0 | 0 | 111.8 | W1009 M1010 S1011 C1033 R1034 F1046 | Q999-W1009 HydrophobicContact CB-CB 4.21Å; Q999-W1009 HydrophobicContact CB-CE3 4.12Å; Q999-W1009 HydrophobicContact CG-CB 4.49Å; Q999-W1009 VanDerWaalsContact OE1-CB 3.28Å; Q999-M1010 CarbonylContact C-O 3.55Å; Q999-M1010 VanDerWaalsContact CA-O 3.23Å; Q999-M1010 WeakPolarHBondContact CA-O 3.27Å; Q999-S1011 PolarHBondContact NE2-OG 3.43Å; Q999-C1033 CarbonylContact O-C 3.56Å; Q999-C1033 VanDerWaalsContact O-CA 3.27Å; Q999-C1033 WeakPolarHBondContact O-CA 3.23Å; Q999-R1034 HydrophobicContact CB-CG 4Å; Q999-R1034 PolarHBondContact N-O 3.3Å; Q999-R1034 PolarHBondContact O-N 2.78Å; Q999-R1034 VanDerWaalsContact OE1-NE 3.08Å; Q999-F1046 HydrophobicContact CB-CE1 4.35Å; Q999-F1046 HydrophobicContact CG-CE1 3.95Å; Q999-F1046 HydrophobicContact CG-CZ 4.36Å |
| 1000 | V | 93.9 | Very high | 88.1 | Confident | 7 Ų | 7 | 63.6 Ų | 63.6 | 4% | 0.042 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 147.4 | 178.3 | 176.1 | 0 | 0 | 0 | 0 | 109.6 | L998 M1010 V1012 L1022 Y1031 Q1032 C1033 | L998-V1000 HydrophobicContact CG-CG2 4.49Å; V1000-M1010 PolarHBondContact N-O 3.4Å; V1000-M1010 WeakPolarHBondContact O-CB 3.22Å; V1000-M1010 PolarHBondContact O-N 2.7Å; V1000-V1012 HydrophobicContact CB-CG1 4.17Å; V1000-V1012 HydrophobicContact CB-CG2 4.19Å; V1000-V1012 HydrophobicContact CG2-CG1 4.47Å; V1000-V1012 HydrophobicContact CG2-CG2 3.65Å; V1000-L1022 HydrophobicContact CG2-CD1 3.86Å; V1000-L1022 HydrophobicContact CG2-CD2 3.93Å; V1000-Y1031 HydrophobicContact CG1-CD1 3.73Å; V1000-Y1031 HydrophobicContact CG1-CG 4.36Å; V1000-Q1032 CarbonylContact C-O 3.59Å; V1000-Q1032 VanDerWaalsContact CA-O 3.32Å; V1000-Q1032 WeakPolarHBondContact CA-O 3.39Å; V1000-C1033 HydrophobicContact CG2-CB 3.91Å |
| 1001 | K | 93 | Very high | 88.6 | Confident | 41 Ų | 41 | 65.4 Ų | 65.4 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147 | 160 | 162.3 | 71.5 | 177.3 | -156.7 | 122.8 | 0 | 111 | S1005 W1009 Q1032 | K1001-S1005 PolarHBondContact NZ-O 3.04Å; K1001-W1009 HydrophobicContact CB-CE3 4.34Å; K1001-W1009 HydrophobicContact CD-CD2 3.88Å; K1001-W1009 HydrophobicContact CD-CE3 4.25Å; K1001-W1009 HydrophobicContact CD-CG 4.25Å; K1001-W1009 HydrophobicContact CD-CZ2 4.24Å; K1001-W1009 HydrophobicContact CG-CD2 4.1Å; K1001-W1009 HydrophobicContact CG-CE3 3.94Å; K1001-W1009 HydrophobicContact CG-CH2 4.39Å; K1001-W1009 HydrophobicContact CG-CZ3 4.09Å; K1001-Q1032 VanDerWaalsContact CE-OE1 3.31Å; K1001-Q1032 HydrophobicContact CG-CB 4.23Å; K1001-Q1032 PolarHBondContact N-O 3.49Å; K1001-Q1032 PolarHBondContact O-N 2.89Å |
| 1002 | E | 91.6 | Very high | 89.1 | Confident | 64 Ų | 64 | 59.5 Ų | 59.5 | 30% | 0.299 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 134.8 | 167.2 | 173.5 | 162.9 | 174.1 | 0 | 0 | 110.2 | S1004 S1005 T1029 Y1031 | E1002-S1004 WeakPolarHBondContact CG-OG 3.27Å; E1002-S1004 PolarHBondContact O-N 2.94Å; E1002-S1004 WeakPolarHBondContact OE1-CB 3.35Å; E1002-S1004 PolarHBondContact OE1-OG 3.17Å; E1002-S1005 PolarHBondContact O-N 2.99Å; E1002-S1005 VanDerWaalsContact O-N 3.15Å; E1002-T1029 HydrophobicContact CB-CG2 4.25Å; E1002-T1029 HydrophobicContact CG-CG2 3.57Å; E1002-Y1031 HydrophobicContact CB-CD1 4.49Å; E1002-Y1031 HydrophobicContact CB-CE1 4.21Å |
| 1003 | K | 87.6 | Confident | 89.5 | Confident | 119 Ų | 119 | 56.6 Ų | 56.6 | 52% | 0.517 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.6 | -30.3 | 179.9 | -171.8 | -179.5 | 177.6 | -174.9 | 0 | 112.4 | A1030 Q1032 V1051 | K1003-A1030 HydrophobicContact CB-CB 3.97Å; K1003-A1030 WeakPolarHBondContact CB-O 3.47Å; K1003-A1030 HydrophobicContact CD-CB 3.99Å; K1003-A1030 PolarHBondContact N-O 2.85Å; K1003-Q1032 HydrophobicContact CB-CG 3.93Å; K1003-Q1032 HydrophobicContact CG-CG 4.01Å; K1003-V1051 HydrophobicContact CD-CG1 4.32Å |
| 1004 | S | 81.5 | Confident | 89.8 | Confident | 92 Ų | 92 | 59.3 Ų | 59.3 | 64% | 0.643 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -27.5 | 176.3 | -27.4 | 0 | 0 | 0 | 0 | 113.1 | E1002 | E1002-S1004 WeakPolarHBondContact CG-OG 3.27Å; E1002-S1004 PolarHBondContact O-N 2.94Å; E1002-S1004 WeakPolarHBondContact OE1-CB 3.35Å; E1002-S1004 PolarHBondContact OE1-OG 3.17Å |
| 1005 | S | 81.5 | Confident | 90 | Very high | 29 Ų | 29 | 55.2 Ų | 55.2 | 20% | 0.203 | 33% | 0.328 | C | S | . | . | trans | -88.4 | 139.3 | -170.6 | -172 | 0 | 0 | 0 | 0 | 113.3 | K1001 E1002 D1007 | K1001-S1005 PolarHBondContact NZ-O 3.04Å; E1002-S1005 PolarHBondContact O-N 2.99Å; E1002-S1005 VanDerWaalsContact O-N 3.15Å; S1005-D1007 VanDerWaalsContact OG-CB 3.32Å; S1005-D1007 WeakPolarHBondContact OG-CB 3.35Å; S1005-D1007 PolarHBondContact OG-N 3.31Å; S1005-D1007 PolarHBondContact OG-OD2 2.74Å | ||
| 1006 | S | 77.8 | Confident | 89.9 | Confident | 119 Ų | 119 | 56.2 Ų | 56.2 | 83% | 0.832 | 34% | 0.343 | S | S | * | . | trans | -72.7 | -11.3 | 165.5 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1007 | D | 74.3 | Confident | 89.7 | Confident | 113 Ų | 113 | 62.3 Ų | 62.3 | 60% | 0.604 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -64.1 | 162.8 | -176.6 | -58.9 | -40.2 | 0 | 0 | 0 | 113.1 | S1005 | S1005-D1007 VanDerWaalsContact OG-CB 3.32Å; S1005-D1007 WeakPolarHBondContact OG-CB 3.35Å; S1005-D1007 PolarHBondContact OG-N 3.31Å; S1005-D1007 PolarHBondContact OG-OD2 2.74Å |
| 1008 | G | 84.6 | Confident | 89.6 | Confident | 64 Ų | 64 | 67.8 Ų | 67.8 | 66% | 0.66 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -62.5 | 162.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | M1010 | G1008-M1010 PolarHBondContact O-N 3.41Š|
| 1009 | W | 92.1 | Very high | 89.5 | Confident | 68 Ų | 68 | 72.1 Ų | 72.1 | 26% | 0.258 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 126.4 | 174.2 | -68.4 | 87.4 | 0 | 0 | 0 | 110.9 | Q999 K1001 Q1032 R1034 V1049 | Q999-W1009 HydrophobicContact CB-CB 4.21Å; Q999-W1009 HydrophobicContact CB-CE3 4.12Å; Q999-W1009 HydrophobicContact CG-CB 4.49Å; Q999-W1009 VanDerWaalsContact OE1-CB 3.28Å; K1001-W1009 HydrophobicContact CB-CE3 4.34Å; K1001-W1009 HydrophobicContact CD-CD2 3.88Å; K1001-W1009 HydrophobicContact CD-CE3 4.25Å; K1001-W1009 HydrophobicContact CD-CG 4.25Å; K1001-W1009 HydrophobicContact CD-CZ2 4.24Å; K1001-W1009 HydrophobicContact CG-CD2 4.1Å; K1001-W1009 HydrophobicContact CG-CE3 3.94Å; K1001-W1009 HydrophobicContact CG-CH2 4.39Å; K1001-W1009 HydrophobicContact CG-CZ3 4.09Å; W1009-Q1032 HydrophobicContact CH2-CB 3.8Å; W1009-Q1032 HydrophobicContact CZ3-CB 4.05Å; W1009-R1034 HydrophobicContact CD2-CG 4.31Å; W1009-R1034 HydrophobicContact CE3-CG 3.8Å; W1009-R1034 HydrophobicContact CH2-CB 4.34Å; W1009-R1034 HydrophobicContact CH2-CG 3.99Å; W1009-R1034 HydrophobicContact CZ2-CG 4.49Å; W1009-R1034 HydrophobicContact CZ3-CB 4.2Å; W1009-R1034 HydrophobicContact CZ3-CG 3.63Å; W1009-V1049 HydrophobicContact CH2-CG1 3.93Å; W1009-V1049 HydrophobicContact CH2-CG2 3.87Å; W1009-V1049 HydrophobicContact CZ2-CG2 4.2Å |
| 1010 | M | 90.6 | Very high | 89.4 | Confident | 132 Ų | 132 | 74 Ų | 74 | 65% | 0.65 | 42% | 0.42 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.2 | 124.3 | 174.9 | -175.7 | -177.7 | -69.3 | 0 | 0 | 109.8 | Q999 V1000 G1008 V1012 | Q999-M1010 CarbonylContact C-O 3.55Å; Q999-M1010 VanDerWaalsContact CA-O 3.23Å; Q999-M1010 WeakPolarHBondContact CA-O 3.27Å; V1000-M1010 PolarHBondContact N-O 3.4Å; V1000-M1010 WeakPolarHBondContact O-CB 3.22Å; V1000-M1010 PolarHBondContact O-N 2.7Å; G1008-M1010 PolarHBondContact O-N 3.41Å; M1010-V1012 HydrophobicContact CB-CG1 4.43Å; M1010-V1012 HydrophobicContact CG-CG1 4.01Å; M1010-V1012 PolarHBondContact O-N 3.24Å; M1010-V1012 HydrophobicContact SD-CG1 4.08Å |
| 1011 | S | 92.5 | Very high | 89.4 | Confident | 72 Ų | 72 | 77.2 Ų | 77.2 | 50% | 0.503 | 43% | 0.434 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 118.8 | 166.3 | -62.9 | 0 | 0 | 0 | 0 | 109.2 | Q999 | Q999-S1011 PolarHBondContact NE2-OG 3.43Å |
| 1012 | V | 92.6 | Very high | 89.4 | Confident | 42 Ų | 42 | 75.5 Ų | 75.5 | 26% | 0.255 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | -16 | -173.1 | -68.9 | 0 | 0 | 0 | 0 | 113.4 | L998 V1000 M1010 F1020 L1022 | L998-V1012 HydrophobicContact CB-CG2 4.2Å; L998-V1012 HydrophobicContact CD2-CG2 3.93Å; L998-V1012 HydrophobicContact CG-CG2 3.91Å; L998-V1012 WeakPolarHBondContact O-CG2 3.46Å; L998-V1012 PolarHBondContact O-N 2.95Å; V1000-V1012 HydrophobicContact CB-CG1 4.17Å; V1000-V1012 HydrophobicContact CB-CG2 4.19Å; V1000-V1012 HydrophobicContact CG2-CG1 4.47Å; V1000-V1012 HydrophobicContact CG2-CG2 3.65Å; M1010-V1012 HydrophobicContact CB-CG1 4.43Å; M1010-V1012 HydrophobicContact CG-CG1 4.01Å; M1010-V1012 PolarHBondContact O-N 3.24Å; M1010-V1012 HydrophobicContact SD-CG1 4.08Å; V1012-F1020 HydrophobicContact CB-CE1 4.5Å; V1012-F1020 WeakPolarHBondContact O-CE1 3.4Å; V1012-F1020 WeakPolarHBondContact O-CZ 3.38Å; V1012-L1022 HydrophobicContact CB-CD2 4.14Å; V1012-L1022 HydrophobicContact CG2-CD2 3.64Å |
| 1013 | Y | 94.5 | Very high | 89.3 | Confident | 38 Ų | 38 | 76.2 Ų | 76.2 | 15% | 0.149 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 145.8 | 175 | 165.9 | -97.6 | 0 | 0 | 0 | 110.9 | W981 T997 L998 G1015 A1016 Q1017 F1020 | W981-Y1013 AromaticContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CD1 3.9Å; W981-Y1013 HydrophobicContact CH2-CE1 4.03Å; W981-Y1013 HydrophobicContact CZ2-CD1 4.12Å; W981-Y1013 AromaticContact CZ2-CE1 3.9Å; W981-Y1013 HydrophobicContact CZ2-CE1 3.9Å; T997-Y1013 WeakPolarHBondContact CA-O 3.39Å; L998-Y1013 HydrophobicContact CB-CD1 4.3Å; L998-Y1013 PolarHBondContact N-O 2.96Å; Y1013-G1015 WeakPolarHBondContact CE1-O 3.34Å; Y1013-G1015 WeakPolarHBondContact OH-CA 3.33Å; Y1013-G1015 PolarHBondContact OH-O 3.39Å; Y1013-A1016 PolarHBondContact OH-N 3.48Å; Y1013-Q1017 WeakPolarHBondContact CE1-O 3.14Å; Y1013-Q1017 WeakPolarHBondContact OH-CA 3.46Å; Y1013-Q1017 VanDerWaalsContact OH-CB 3.27Å; Y1013-Q1017 WeakPolarHBondContact OH-CB 3.48Å; Y1013-Q1017 PolarHBondContact OH-N 3.28Å; Y1013-Q1017 PolarHBondContact OH-O 2.66Å; Y1013-F1020 HydrophobicContact CD1-CB 4.3Å; Y1013-F1020 HydrophobicContact CD1-CG 4.48Å; Y1013-F1020 HydrophobicContact CD2-CB 4.39Å; Y1013-F1020 AromaticContact CD2-CD2 3.28Å; Y1013-F1020 HydrophobicContact CD2-CD2 3.28Å; Y1013-F1020 AromaticContact CD2-CE2 3.62Å; Y1013-F1020 HydrophobicContact CD2-CE2 3.62Å; Y1013-F1020 AromaticContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CZ 4.48Å; Y1013-F1020 HydrophobicContact CE2-CD2 4.06Å; Y1013-F1020 HydrophobicContact CG-CB 4.01Å; Y1013-F1020 HydrophobicContact CG-CD1 4.34Å; Y1013-F1020 AromaticContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CE2 4.11Å; Y1013-F1020 AromaticContact CG-CG 3.73Å; Y1013-F1020 HydrophobicContact CG-CG 3.73Å |
| 1014 | A | 93.1 | Very high | 89.3 | Confident | 66 Ų | 66 | 78 Ų | 78 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 116.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y996 | Y996-A1014 WeakPolarHBondContact O-CA 3.24Å |
| 1015 | G | 92.7 | Very high | 89.7 | Confident | 17 Ų | 17 | 74.4 Ų | 74.4 | 18% | 0.175 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.2 | 177.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y996 Y1013 Q1017 | Y996-G1015 WeakPolarHBondContact CB-O 3.38Å; Y996-G1015 PolarHBondContact N-O 3.18Å; Y996-G1015 PolarHBondContact O-N 3.33Å; Y1013-G1015 WeakPolarHBondContact CE1-O 3.34Å; Y1013-G1015 WeakPolarHBondContact OH-CA 3.33Å; Y1013-G1015 PolarHBondContact OH-O 3.39Å; G1015-Q1017 PolarHBondContact O-N 3Å |
| 1016 | A | 91.2 | Very high | 90 | Very high | 64 Ų | 64 | 75.6 Ų | 75.6 | 53% | 0.529 | 43% | 0.433 | S | S | . | . | S | Bend | trans | -75.1 | -19 | -170.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | Y1013 | Y1013-A1016 PolarHBondContact OH-N 3.48Š|
| 1017 | Q | 92 | Very high | 90.4 | Very high | 131 Ų | 131 | 71.6 Ų | 71.6 | 61% | 0.612 | 40% | 0.404 | S | S | * | . | trans | -64.7 | 142.9 | 177.1 | -55.8 | -61.2 | -30.4 | 0 | 0 | 111.6 | W981 Y1013 G1015 E1019 | W981-Q1017 VanDerWaalsContact CZ2-O 3.28Å; W981-Q1017 WeakPolarHBondContact CZ2-O 3.36Å; Y1013-Q1017 WeakPolarHBondContact CE1-O 3.14Å; Y1013-Q1017 WeakPolarHBondContact OH-CA 3.46Å; Y1013-Q1017 VanDerWaalsContact OH-CB 3.27Å; Y1013-Q1017 WeakPolarHBondContact OH-CB 3.48Å; Y1013-Q1017 PolarHBondContact OH-N 3.28Å; Y1013-Q1017 PolarHBondContact OH-O 2.66Å; G1015-Q1017 PolarHBondContact O-N 3Å; Q1017-E1019 VanDerWaalsContact C-N 3.33Å | ||
| 1018 | R | 93.2 | Very high | 90.9 | Very high | 125 Ų | 125 | 67 Ų | 67 | 47% | 0.472 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -93.7 | 12.9 | 177.8 | -58.8 | -178.4 | -59.5 | -160.2 | 0.3 | 113.9 | W981 Y996 | W981-R1018 PolarHBondContact N-O 2.87Å; W981-R1018 VanDerWaalsContact N-O 3.12Å; Y996-R1018 HydrophobicContact CD2-CG 4.47Å; Y996-R1018 HydrophobicContact CE2-CG 3.91Å |
| 1019 | E | 93.7 | Very high | 91.1 | Very high | 91 Ų | 91 | 65 Ų | 65 | 43% | 0.425 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.6 | 145.6 | 176 | 58.8 | 169.6 | -124.2 | 0 | 0 | 110.6 | K978 I979 V980 Q1017 | K978-E1019 WeakPolarHBondContact CE-OE1 3.39Å; K978-E1019 WeakPolarHBondContact CE-OE2 3.39Å; K978-E1019 IonicContact NZ-OE1 2.94Å; K978-E1019 PolarHBondContact NZ-OE1 3.35Å; K978-E1019 IonicContact NZ-OE2 2.65Å; K978-E1019 PolarHBondContact NZ-OE2 2.89Å; I979-E1019 CarbonylContact O-C 3.45Å; I979-E1019 VanDerWaalsContact O-CA 3.27Å; I979-E1019 WeakPolarHBondContact O-CA 3.48Å; V980-E1019 HydrophobicContact CG2-CB 3.84Å; Q1017-E1019 VanDerWaalsContact C-N 3.33Å |
| 1020 | F | 94.4 | Very high | 91.1 | Very high | 61 Ų | 61 | 62.9 Ų | 62.9 | 27% | 0.268 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 139.5 | 175.6 | -174.3 | -112.4 | 0 | 0 | 0 | 111.9 | I979 W981 L998 V1012 Y1013 L1022 | I979-F1020 PolarHBondContact N-O 3.46Å; I979-F1020 PolarHBondContact O-N 3.45Å; W981-F1020 HydrophobicContact CH2-CB 3.92Å; W981-F1020 HydrophobicContact CZ3-CB 4.18Å; L998-F1020 HydrophobicContact CD2-CB 4.21Å; L998-F1020 HydrophobicContact CD2-CD1 4.13Å; V1012-F1020 HydrophobicContact CB-CE1 4.5Å; V1012-F1020 WeakPolarHBondContact O-CE1 3.4Å; V1012-F1020 WeakPolarHBondContact O-CZ 3.38Å; Y1013-F1020 HydrophobicContact CD1-CB 4.3Å; Y1013-F1020 HydrophobicContact CD1-CG 4.48Å; Y1013-F1020 HydrophobicContact CD2-CB 4.39Å; Y1013-F1020 AromaticContact CD2-CD2 3.28Å; Y1013-F1020 HydrophobicContact CD2-CD2 3.28Å; Y1013-F1020 AromaticContact CD2-CE2 3.62Å; Y1013-F1020 HydrophobicContact CD2-CE2 3.62Å; Y1013-F1020 AromaticContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CG 3.92Å; Y1013-F1020 HydrophobicContact CD2-CZ 4.48Å; Y1013-F1020 HydrophobicContact CE2-CD2 4.06Å; Y1013-F1020 HydrophobicContact CG-CB 4.01Å; Y1013-F1020 HydrophobicContact CG-CD1 4.34Å; Y1013-F1020 AromaticContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CD2 3.6Å; Y1013-F1020 HydrophobicContact CG-CE2 4.11Å; Y1013-F1020 AromaticContact CG-CG 3.73Å; Y1013-F1020 HydrophobicContact CG-CG 3.73Å; F1020-L1022 HydrophobicContact CD1-CD2 3.78Å; F1020-L1022 HydrophobicContact CD1-CG 4.44Å; F1020-L1022 HydrophobicContact CE1-CD2 3.93Å; F1020-L1022 PolarHBondContact O-N 2.88Å |
| 1021 | Q | 93.2 | Very high | 91.2 | Very high | 74 Ų | 74 | 57.6 Ų | 57.6 | 35% | 0.346 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 97.3 | 176.5 | -176.1 | 59.6 | 63.5 | 0 | 0 | 109.4 | A977 T1023 | A977-Q1021 PolarHBondContact O-NE2 3.12Å; Q1021-T1023 HydrophobicContact CG-CG2 4.32Å; Q1021-T1023 PolarHBondContact O-N 2.91Å |
| 1022 | L | 92.4 | Very high | 91.3 | Very high | 5 Ų | 5 | 56.2 Ų | 56.2 | 3% | 0.026 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.5 | 138.1 | 167.7 | -60 | 177.2 | 0 | 0 | 0 | 109.1 | Q976 A977 I979 L998 V1000 V1012 F1020 L1025 F1052 | Q976-L1022 CarbonylContact C-O 3.58Å; Q976-L1022 WeakPolarHBondContact CA-O 3.28Å; Q976-L1022 WeakPolarHBondContact CB-O 3.27Å; A977-L1022 PolarHBondContact N-O 3.17Å; A977-L1022 WeakPolarHBondContact O-CB 3.32Å; A977-L1022 PolarHBondContact O-N 2.86Å; I979-L1022 HydrophobicContact CD1-CD1 4.05Å; I979-L1022 HydrophobicContact CG1-CD1 3.46Å; I979-L1022 VanDerWaalsContact CG1-CD1 3.46Å; I979-L1022 HydrophobicContact CG1-CG 3.81Å; L998-L1022 HydrophobicContact CD2-CD2 4.11Å; V1000-L1022 HydrophobicContact CG2-CD1 3.86Å; V1000-L1022 HydrophobicContact CG2-CD2 3.93Å; V1012-L1022 HydrophobicContact CB-CD2 4.14Å; V1012-L1022 HydrophobicContact CG2-CD2 3.64Å; F1020-L1022 HydrophobicContact CD1-CD2 3.78Å; F1020-L1022 HydrophobicContact CD1-CG 4.44Å; F1020-L1022 HydrophobicContact CE1-CD2 3.93Å; F1020-L1022 PolarHBondContact O-N 2.88Å; L1022-L1025 HydrophobicContact CB-CD1 3.94Å; L1022-L1025 HydrophobicContact CB-CD2 4.29Å; L1022-L1025 HydrophobicContact CB-CG 4.24Å; L1022-L1025 HydrophobicContact CD1-CD1 4.27Å; L1022-L1025 HydrophobicContact CD1-CD2 4.48Å; L1022-F1052 HydrophobicContact CD1-CE1 4.15Å; L1022-F1052 HydrophobicContact CD1-CZ 3.67Å |
| 1023 | T | 90 | Very high | 91.4 | Very high | 78 Ų | 78 | 54.3 Ų | 54.3 | 48% | 0.479 | 30% | 0.302 | S | S | . | . | trans | -132.7 | 173.6 | 174.4 | 54.5 | 0 | 0 | 0 | 0 | 108.9 | T975 Q976 Q1021 L1025 | T975-T1023 CarbonylContact O-C 3.59Å; T975-T1023 WeakPolarHBondContact O-CA 3.16Å; Q976-T1023 HydrophobicContact CB-CG2 4.39Å; Q1021-T1023 HydrophobicContact CG-CG2 4.32Å; Q1021-T1023 PolarHBondContact O-N 2.91Å; T1023-L1025 PolarHBondContact O-N 2.95Å | ||
| 1024 | N | 88 | Confident | 91.4 | Very high | 156 Ų | 156 | 55 Ų | 55 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | S | Bend | trans | 56.6 | 28.9 | 179.9 | -54 | -28.3 | 0 | 0 | 0 | 114.4 | T975 | T975-N1024 PolarHBondContact O-N 2.88Š|
| 1025 | L | 90.1 | Very high | 91.6 | Very high | 18 Ų | 18 | 51.9 Ų | 51.9 | 9% | 0.094 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -77.5 | 149 | 173.3 | -56.9 | -179.7 | 0 | 0 | 0 | 110.9 | T975 A977 L1022 T1023 Y1031 F1052 T1054 | T975-L1025 WeakPolarHBondContact CA-O 3.46Å; T975-L1025 PolarHBondContact O-N 3.43Å; A977-L1025 HydrophobicContact CB-CD1 3.88Å; L1022-L1025 HydrophobicContact CB-CD1 3.94Å; L1022-L1025 HydrophobicContact CB-CD2 4.29Å; L1022-L1025 HydrophobicContact CB-CG 4.24Å; L1022-L1025 HydrophobicContact CD1-CD1 4.27Å; L1022-L1025 HydrophobicContact CD1-CD2 4.48Å; T1023-L1025 PolarHBondContact O-N 2.95Å; L1025-Y1031 HydrophobicContact CB-CE2 3.91Å; L1025-Y1031 HydrophobicContact CD2-CD1 4.48Å; L1025-Y1031 HydrophobicContact CD2-CD2 4.42Å; L1025-Y1031 HydrophobicContact CD2-CE1 4.19Å; L1025-Y1031 HydrophobicContact CD2-CE2 4.1Å; L1025-Y1031 HydrophobicContact CG-CE2 4.42Å; L1025-F1052 HydrophobicContact CD1-CE2 3.88Å; L1025-F1052 HydrophobicContact CD1-CZ 4.09Å; L1025-T1054 HydrophobicContact CB-CG2 3.9Å; L1025-T1054 HydrophobicContact CD1-CG2 3.69Å; L1025-T1054 HydrophobicContact CG-CG2 4.47Å |
| 1026 | S | 87.3 | Confident | 91.7 | Very high | 54 Ų | 54 | 53.4 Ų | 53.4 | 38% | 0.378 | 28% | 0.279 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 131.6 | 170.3 | -63.6 | 0 | 0 | 0 | 0 | 110.2 | T1029 Y1031 T1054 | S1026-T1029 WeakPolarHBondContact CB-OG1 3.38Å; S1026-T1029 PolarHBondContact O-N 3.46Å; S1026-Y1031 WeakPolarHBondContact CB-OH 3.43Å; S1026-Y1031 PolarHBondContact N-OH 3.21Å; S1026-Y1031 PolarHBondContact OG-OH 2.95Å; S1026-T1054 PolarHBondContact O-OG1 2.83Å |
| 1027 | P | 87.2 | Confident | 91.8 | Very high | 35 Ų | 35 | 50.3 Ų | 50.3 | 23% | 0.227 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 142.5 | 173.5 | -26.6 | 36.5 | 0 | 0 | 0 | 113 | S974 T975 T1029 V1057 G1088 | S974-P1027 WeakPolarHBondContact O-CA 3.19Å; T975-P1027 HydrophobicContact CG2-CG 4.31Å; P1027-T1029 PolarHBondContact O-N 2.87Å; P1027-V1057 HydrophobicContact CB-CB 4.4Å; P1027-V1057 HydrophobicContact CB-CG1 4.06Å; P1027-V1057 HydrophobicContact CB-CG2 3.75Å; P1027-V1057 HydrophobicContact CG-CG1 4.11Å; P1027-V1057 HydrophobicContact CG-CG2 3.86Å; P1027-G1088 WeakPolarHBondContact O-CA 3.33Å |
| 1028 | G | 84.4 | Confident | 91.8 | Very high | 16 Ų | 16 | 47.9 Ų | 47.9 | 17% | 0.165 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.2 | -3.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | T1053 T1054 M1055 G1088 | G1028-T1053 WeakPolarHBondContact O-CG2 3.42Å; G1028-T1054 VanDerWaalsContact CA-O 3.26Å; G1028-T1054 WeakPolarHBondContact CA-O 3.49Å; G1028-T1054 PolarHBondContact N-O 3.42Å; G1028-T1054 PolarHBondContact N-OG1 3.49Å; G1028-M1055 PolarHBondContact N-O 2.78Å; G1028-G1088 WeakPolarHBondContact CA-O 3.45Å |
| 1029 | T | 89.1 | Confident | 91.6 | Very high | 23 Ų | 23 | 42.2 Ų | 42.2 | 14% | 0.141 | 22% | 0.222 | C | C | . | . | trans | -74.1 | 135.4 | 179.2 | -68.5 | 0 | 0 | 0 | 0 | 111.1 | E1002 S1026 P1027 Y1031 T1053 T1054 | E1002-T1029 HydrophobicContact CB-CG2 4.25Å; E1002-T1029 HydrophobicContact CG-CG2 3.57Å; S1026-T1029 WeakPolarHBondContact CB-OG1 3.38Å; S1026-T1029 PolarHBondContact O-N 3.46Å; P1027-T1029 PolarHBondContact O-N 2.87Å; T1029-Y1031 HydrophobicContact CG2-CD2 4.07Å; T1029-Y1031 HydrophobicContact CG2-CE1 4.19Å; T1029-Y1031 HydrophobicContact CG2-CE2 3.57Å; T1029-Y1031 WeakPolarHBondContact O-CD2 3.38Å; T1029-T1053 WeakPolarHBondContact O-CA 3.44Å; T1029-T1054 PolarHBondContact N-OG1 2.93Å; T1029-T1054 PolarHBondContact O-N 2.99Å; T1029-T1054 VanDerWaalsContact O-N 3.17Å; T1029-T1054 PolarHBondContact O-OG1 2.96Å | ||
| 1030 | A | 90.8 | Very high | 91.2 | Very high | 23 Ų | 23 | 41.3 Ų | 41.3 | 19% | 0.19 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.6 | 118.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 110 | K1003 F1052 T1053 | K1003-A1030 HydrophobicContact CB-CB 3.97Å; K1003-A1030 WeakPolarHBondContact CB-O 3.47Å; K1003-A1030 HydrophobicContact CD-CB 3.99Å; K1003-A1030 PolarHBondContact N-O 2.85Å; A1030-F1052 CarbonylContact C-O 3.53Å; A1030-T1053 HydrophobicContact CB-CG2 4.49Å |
| 1031 | Y | 93 | Very high | 90.7 | Very high | 21 Ų | 21 | 39.8 Ų | 39.8 | 8% | 0.082 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.1 | 143.8 | 176.4 | -73.8 | -80 | 0 | 0 | 0 | 111.4 | V1000 E1002 L1025 S1026 T1029 V1051 F1052 T1054 | V1000-Y1031 HydrophobicContact CG1-CD1 3.73Å; V1000-Y1031 HydrophobicContact CG1-CG 4.36Å; E1002-Y1031 HydrophobicContact CB-CD1 4.49Å; E1002-Y1031 HydrophobicContact CB-CE1 4.21Å; L1025-Y1031 HydrophobicContact CB-CE2 3.91Å; L1025-Y1031 HydrophobicContact CD2-CD1 4.48Å; L1025-Y1031 HydrophobicContact CD2-CD2 4.42Å; L1025-Y1031 HydrophobicContact CD2-CE1 4.19Å; L1025-Y1031 HydrophobicContact CD2-CE2 4.1Å; L1025-Y1031 HydrophobicContact CG-CE2 4.42Å; S1026-Y1031 WeakPolarHBondContact CB-OH 3.43Å; S1026-Y1031 PolarHBondContact N-OH 3.21Å; S1026-Y1031 PolarHBondContact OG-OH 2.95Å; T1029-Y1031 HydrophobicContact CG2-CD2 4.07Å; T1029-Y1031 HydrophobicContact CG2-CE1 4.19Å; T1029-Y1031 HydrophobicContact CG2-CE2 3.57Å; T1029-Y1031 WeakPolarHBondContact O-CD2 3.38Å; Y1031-V1051 WeakPolarHBondContact O-CA 3.16Å; Y1031-F1052 HydrophobicContact CD2-CE2 4.12Å; Y1031-F1052 HydrophobicContact CD2-CZ 4.33Å; Y1031-F1052 HydrophobicContact CG-CE2 4.37Å; Y1031-F1052 HydrophobicContact CG-CZ 4.16Å; Y1031-F1052 PolarHBondContact N-O 3.05Å; Y1031-F1052 PolarHBondContact O-N 2.89Å; Y1031-F1052 VanDerWaalsContact O-N 3.11Å; Y1031-T1054 HydrophobicContact CD2-CG2 4.1Å; Y1031-T1054 HydrophobicContact CE2-CG2 4.11Å |
| 1032 | Q | 94.5 | Very high | 90.5 | Very high | 43 Ų | 43 | 37.7 Ų | 37.7 | 20% | 0.201 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 132.1 | 166.5 | -64.7 | -165.2 | -66.2 | 0 | 0 | 108.2 | V1000 K1001 K1003 W1009 V1049 V1051 | V1000-Q1032 CarbonylContact C-O 3.59Å; V1000-Q1032 VanDerWaalsContact CA-O 3.32Å; V1000-Q1032 WeakPolarHBondContact CA-O 3.39Å; K1001-Q1032 VanDerWaalsContact CE-OE1 3.31Å; K1001-Q1032 HydrophobicContact CG-CB 4.23Å; K1001-Q1032 PolarHBondContact N-O 3.49Å; K1001-Q1032 PolarHBondContact O-N 2.89Å; K1003-Q1032 HydrophobicContact CB-CG 3.93Å; K1003-Q1032 HydrophobicContact CG-CG 4.01Å; W1009-Q1032 HydrophobicContact CH2-CB 3.8Å; W1009-Q1032 HydrophobicContact CZ3-CB 4.05Å; Q1032-V1049 HydrophobicContact CB-CG1 3.67Å; Q1032-V1049 HydrophobicContact CG-CG1 4.03Å; Q1032-V1051 HydrophobicContact CG-CG2 4.35Å |
| 1033 | C | 94 | Very high | 90.5 | Very high | 1 Ų | 1 | 42.1 Ų | 42.1 | 1% | 0.007 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 144 | 176.4 | 62.4 | 0 | 0 | 0 | 0 | 110.4 | P966 Q999 V1000 V1049 G1050 F1052 | P966-C1033 HydrophobicContact CG-CB 4.39Å; Q999-C1033 CarbonylContact O-C 3.56Å; Q999-C1033 VanDerWaalsContact O-CA 3.27Å; Q999-C1033 WeakPolarHBondContact O-CA 3.23Å; V1000-C1033 HydrophobicContact CG2-CB 3.91Å; C1033-V1049 CarbonylContact O-C 3.45Å; C1033-V1049 WeakPolarHBondContact O-CA 3.41Å; C1033-G1050 PolarHBondContact N-O 2.82Å; C1033-G1050 PolarHBondContact O-N 2.79Å; C1033-G1050 PolarHBondContact SG-O 2.84Å; C1033-F1052 HydrophobicContact CB-CE1 4.26Å |
| 1034 | R | 96 | Very high | 90.7 | Very high | 54 Ų | 54 | 38.6 Ų | 38.6 | 20% | 0.204 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.7 | 143.5 | 175.8 | 66.2 | -177.8 | -170.5 | 170.3 | 2.3 | 108.6 | Q999 W1009 F1046 V1049 | Q999-R1034 HydrophobicContact CB-CG 4Å; Q999-R1034 PolarHBondContact N-O 3.3Å; Q999-R1034 PolarHBondContact O-N 2.78Å; Q999-R1034 VanDerWaalsContact OE1-NE 3.08Å; W1009-R1034 HydrophobicContact CD2-CG 4.31Å; W1009-R1034 HydrophobicContact CE3-CG 3.8Å; W1009-R1034 HydrophobicContact CH2-CB 4.34Å; W1009-R1034 HydrophobicContact CH2-CG 3.99Å; W1009-R1034 HydrophobicContact CZ2-CG 4.49Å; W1009-R1034 HydrophobicContact CZ3-CB 4.2Å; W1009-R1034 HydrophobicContact CZ3-CG 3.63Å; R1034-F1046 HydrophobicContact CB-CB 4.41Å; R1034-F1046 HydrophobicContact CB-CD1 4.3Å; R1034-F1046 HydrophobicContact CG-CB 4.32Å; R1034-F1046 HydrophobicContact CG-CD1 3.59Å; R1034-F1046 HydrophobicContact CG-CE1 4.15Å; R1034-F1046 HydrophobicContact CG-CG 4.13Å; R1034-V1049 HydrophobicContact CB-CG2 4.5Å |
| 1035 | V | 96.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 145.3 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 109.3 | P963 P966 W981 Y996 T997 L998 F1046 S1047 | P963-V1035 HydrophobicContact CB-CG1 3.81Å; P963-V1035 HydrophobicContact CG-CG1 3.99Å; P963-V1035 HydrophobicContact CG-CG2 4.4Å; P966-V1035 HydrophobicContact CB-CG1 4.48Å; P966-V1035 HydrophobicContact CG-CG1 4.42Å; W981-V1035 HydrophobicContact CB-CG1 3.91Å; W981-V1035 HydrophobicContact CD2-CB 4.38Å; W981-V1035 HydrophobicContact CD2-CG1 4.41Å; W981-V1035 HydrophobicContact CD2-CG2 4Å; W981-V1035 HydrophobicContact CG-CB 4.35Å; W981-V1035 HydrophobicContact CG-CG1 3.89Å; W981-V1035 HydrophobicContact CG-CG2 4.12Å; W981-V1035 HydrophobicContact CZ2-CG2 4.32Å; Y996-V1035 HydrophobicContact CD1-CG2 4.23Å; T997-V1035 WeakPolarHBondContact O-CA 3.12Å; L998-V1035 HydrophobicContact CD1-CB 4.1Å; V1035-F1046 CarbonylContact O-C 3.59Å; V1035-F1046 WeakPolarHBondContact O-CA 3.47Å; V1035-S1047 PolarHBondContact N-OG 2.83Å; V1035-S1047 WeakPolarHBondContact O-CB 3.23Å; V1035-S1047 PolarHBondContact O-N 2.61Å; V1035-S1047 PolarHBondContact O-OG 3.34Å |
| 1036 | R | 95.6 | Very high | 91.1 | Very high | 48 Ų | 48 | 37 Ų | 37 | 18% | 0.181 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 166.4 | 161.6 | 63.9 | 176.3 | -177 | 168.8 | 15.4 | 108.6 | Y996 T997 E1043 F1046 | Y996-R1036 CarbonylContact C-O 3.47Å; Y996-R1036 WeakPolarHBondContact CA-O 3.37Å; T997-R1036 PolarHBondContact N-O 2.81Å; T997-R1036 PolarHBondContact O-N 3.42Å; R1036-E1043 IonicContact CZ-OE1 2.73Å; R1036-E1043 IonicContact CZ-OE2 2.85Å; R1036-E1043 VanDerWaalsContact NH1-CD 3.33Å; R1036-E1043 IonicContact NH1-OE1 2.71Å; R1036-E1043 IonicContact NH1-OE2 2.69Å; R1036-E1043 PolarHBondContact NH1-OE2 2.9Å; R1036-E1043 IonicContact NH2-OE1 3.97Å; R1036-E1043 PolarHBondContact NH2-OE1 3.18Å; R1036-E1043 IonicContact NH2-OE2 3.18Å; R1036-E1043 PolarHBondContact NH2-OE2 3.44Å; R1036-E1043 VanDerWaalsContact NH2-OE2 3.12Å; R1036-F1046 HydrophobicContact CB-CD1 3.72Å; R1036-F1046 HydrophobicContact CB-CE1 3.98Å; R1036-F1046 HydrophobicContact CB-CG 4.17Å; R1036-F1046 VanDerWaalsContact CD-CZ 3.49Å; R1036-F1046 HydrophobicContact CG-CD1 3.88Å; R1036-F1046 HydrophobicContact CG-CE1 3.58Å; R1036-F1046 HydrophobicContact CG-CZ 4.06Å |
| 1037 | C | 93.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 159 | 174.9 | 70.2 | 0 | 0 | 0 | 0 | 110 | P963 V993 E995 Y996 S1044 | P963-C1037 HydrophobicContact CG-CB 3.82Å; V993-C1037 HydrophobicContact CB-CB 4.34Å; V993-C1037 HydrophobicContact CG1-CB 3.62Å; V993-C1037 HydrophobicContact CG2-CB 4.34Å; E995-C1037 CarbonylContact O-C 3.59Å; E995-C1037 VanDerWaalsContact O-CA 3.23Å; E995-C1037 WeakPolarHBondContact O-CA 3.21Å; Y996-C1037 HydrophobicContact CD1-CB 3.51Å; Y996-C1037 HydrophobicContact CE1-CB 3.63Å; Y996-C1037 HydrophobicContact CG-CB 4.17Å; C1037-S1044 PolarHBondContact N-OG 3.15Å; C1037-S1044 WeakPolarHBondContact O-CB 3.17Å; C1037-S1044 PolarHBondContact O-N 3.3Å; C1037-S1044 PolarHBondContact O-OG 2.85Å |
| 1038 | K | 91.7 | Very high | 91.8 | Very high | 79 Ų | 79 | 39.2 Ų | 39.2 | 34% | 0.343 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 112.1 | -173.7 | 168.5 | -176.3 | 144.4 | -151 | 0 | 107.5 | V993 D994 E995 G1042 E1043 | V993-K1038 WeakPolarHBondContact CG1-O 3.48Å; D994-K1038 WeakPolarHBondContact CB-O 3.15Å; D994-K1038 PolarHBondContact N-O 3.33Å; D994-K1038 VanDerWaalsContact N-O 3.15Å; E995-K1038 HydrophobicContact CB-CB 4.37Å; E995-K1038 PolarHBondContact N-O 2.74Å; E995-K1038 PolarHBondContact O-N 3.42Å; E995-K1038 IonicContact OE2-NZ 3.13Å; E995-K1038 PolarHBondContact OE2-NZ 2.83Å; K1038-G1042 WeakPolarHBondContact CA-O 3.32Å; K1038-E1043 HydrophobicContact CB-CG 4.31Å; K1038-E1043 HydrophobicContact CD-CG 4.32Å; K1038-E1043 HydrophobicContact CG-CG 4.23Å |
| 1039 | G | 89.5 | Confident | 92.2 | Very high | 6 Ų | 6 | 41.2 Ų | 41.2 | 6% | 0.062 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | -178.2 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.5 | D994 G1041 G1042 | D994-G1039 WeakPolarHBondContact OD2-CA 3.43Å; G1039-G1041 PolarHBondContact O-N 2.79Å; G1039-G1042 PolarHBondContact N-O 3.11Å; G1039-G1042 VanDerWaalsContact N-O 3.1Å; G1039-G1042 PolarHBondContact O-N 3.06Å |
| 1040 | A | 85.2 | Confident | 92.3 | Very high | 73 Ų | 73 | 40.4 Ų | 40.4 | 60% | 0.603 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.2 | -21 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | P957 D994 | P957-A1040 HydrophobicContact CG-CB 3.77Å; D994-A1040 PolarHBondContact OD2-N 2.63Å; D994-A1040 VanDerWaalsContact OD2-N 3.08Å |
| 1041 | G | 83.4 | Confident | 92.4 | Very high | 28 Ų | 28 | 43.1 Ų | 43.1 | 29% | 0.289 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | 5.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | P957 T958 A959 G1039 | P957-G1041 WeakPolarHBondContact O-CA 3.42Å; T958-G1041 WeakPolarHBondContact O-CA 3.38Å; A959-G1041 PolarHBondContact N-O 3.48Å; A959-G1041 VanDerWaalsContact N-O 3.14Å; G1039-G1041 PolarHBondContact O-N 2.79Å |
| 1042 | G | 88.8 | Confident | 92.3 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 31% | 0.309 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 114.5 | -170 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P960 K1038 G1039 | P960-G1042 WeakPolarHBondContact CD-O 3.21Å; K1038-G1042 WeakPolarHBondContact CA-O 3.32Å; G1039-G1042 PolarHBondContact N-O 3.11Å; G1039-G1042 VanDerWaalsContact N-O 3.1Å; G1039-G1042 PolarHBondContact O-N 3.06Å |
| 1043 | E | 92.2 | Very high | 92.2 | Very high | 98 Ų | 98 | 44.5 Ų | 44.5 | 46% | 0.458 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 130.9 | -178.2 | -53.4 | -173.7 | 138.6 | 0 | 0 | 111.1 | R1036 K1038 | R1036-E1043 IonicContact CZ-OE1 2.73Å; R1036-E1043 IonicContact CZ-OE2 2.85Å; R1036-E1043 VanDerWaalsContact NH1-CD 3.33Å; R1036-E1043 IonicContact NH1-OE1 2.71Å; R1036-E1043 IonicContact NH1-OE2 2.69Å; R1036-E1043 PolarHBondContact NH1-OE2 2.9Å; R1036-E1043 IonicContact NH2-OE1 3.97Å; R1036-E1043 PolarHBondContact NH2-OE1 3.18Å; R1036-E1043 IonicContact NH2-OE2 3.18Å; R1036-E1043 PolarHBondContact NH2-OE2 3.44Å; R1036-E1043 VanDerWaalsContact NH2-OE2 3.12Å; K1038-E1043 HydrophobicContact CB-CG 4.31Å; K1038-E1043 HydrophobicContact CD-CG 4.32Å; K1038-E1043 HydrophobicContact CG-CG 4.23Å |
| 1044 | S | 93.6 | Very high | 92 | Very high | 5 Ų | 5 | 44.6 Ų | 44.6 | 4% | 0.035 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -66 | 158.3 | 172.3 | 79 | 0 | 0 | 0 | 0 | 111.4 | P960 S961 C1037 | P960-S1044 WeakPolarHBondContact O-CB 3.33Å; S961-S1044 WeakPolarHBondContact O-CB 3.43Å; C1037-S1044 PolarHBondContact N-OG 3.15Å; C1037-S1044 WeakPolarHBondContact O-CB 3.17Å; C1037-S1044 PolarHBondContact O-N 3.3Å; C1037-S1044 PolarHBondContact O-OG 2.85Å |
| 1045 | P | 93.2 | Very high | 91.6 | Very high | 86 Ų | 86 | 47 Ų | 47 | 56% | 0.558 | 28% | 0.276 | S | S | * | . | P | Polyproline II helix | trans | -51.5 | 151.7 | 155.2 | -22.1 | 33.8 | 0 | 0 | 0 | 110.6 | C962 | C962-P1045 WeakPolarHBondContact CA-O 3.09Å; C962-P1045 HydrophobicContact CB-CB 4.48Å; C962-P1045 WeakPolarHBondContact CB-O 3.46Å |
| 1046 | F | 94.5 | Very high | 91.1 | Very high | 54 Ų | 54 | 48 Ų | 48 | 24% | 0.237 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 148.9 | 169.1 | -71.9 | -82.7 | 0 | 0 | 0 | 110.6 | Q999 R1034 V1035 R1036 | Q999-F1046 HydrophobicContact CB-CE1 4.35Å; Q999-F1046 HydrophobicContact CG-CE1 3.95Å; Q999-F1046 HydrophobicContact CG-CZ 4.36Å; R1034-F1046 HydrophobicContact CB-CB 4.41Å; R1034-F1046 HydrophobicContact CB-CD1 4.3Å; R1034-F1046 HydrophobicContact CG-CB 4.32Å; R1034-F1046 HydrophobicContact CG-CD1 3.59Å; R1034-F1046 HydrophobicContact CG-CE1 4.15Å; R1034-F1046 HydrophobicContact CG-CG 4.13Å; V1035-F1046 CarbonylContact O-C 3.59Å; V1035-F1046 WeakPolarHBondContact O-CA 3.47Å; R1036-F1046 HydrophobicContact CB-CD1 3.72Å; R1036-F1046 HydrophobicContact CB-CE1 3.98Å; R1036-F1046 HydrophobicContact CB-CG 4.17Å; R1036-F1046 VanDerWaalsContact CD-CZ 3.49Å; R1036-F1046 HydrophobicContact CG-CD1 3.88Å; R1036-F1046 HydrophobicContact CG-CE1 3.58Å; R1036-F1046 HydrophobicContact CG-CZ 4.06Å |
| 1047 | S | 95.5 | Very high | 90.7 | Very high | 8 Ų | 8 | 48.2 Ų | 48.2 | 6% | 0.056 | 29% | 0.29 | C | S | . | . | P | Polyproline II helix | trans | -56.1 | 165.2 | 167.1 | 71 | 0 | 0 | 0 | 0 | 111.9 | P963 P966 V1035 | P963-S1047 WeakPolarHBondContact O-CB 3.12Å; P966-S1047 WeakPolarHBondContact CD-OG 3.39Å; V1035-S1047 PolarHBondContact N-OG 2.83Å; V1035-S1047 WeakPolarHBondContact O-CB 3.23Å; V1035-S1047 PolarHBondContact O-N 2.61Å; V1035-S1047 PolarHBondContact O-OG 3.34Å |
| 1048 | D | 92.3 | Very high | 90.4 | Very high | 127 Ų | 127 | 53.2 Ų | 53.2 | 68% | 0.679 | 31% | 0.314 | S | S | * | . | P | Polyproline II helix | trans | -51.7 | 152.6 | 156.8 | -75.6 | -40.7 | 0 | 0 | 0 | 110.8 | T965 G1050 | T965-D1048 HydrophobicContact CG2-CB 4.09Å; D1048-G1050 PolarHBondContact O-N 3Å |
| 1049 | V | 93.5 | Very high | 90.3 | Very high | 58 Ų | 58 | 49.7 Ų | 49.7 | 35% | 0.352 | 30% | 0.299 | S | S | . | . | trans | -81.7 | 108.2 | -175.6 | 177.6 | 0 | 0 | 0 | 0 | 110.2 | W1009 Q1032 C1033 R1034 V1051 | W1009-V1049 HydrophobicContact CH2-CG1 3.93Å; W1009-V1049 HydrophobicContact CH2-CG2 3.87Å; W1009-V1049 HydrophobicContact CZ2-CG2 4.2Å; Q1032-V1049 HydrophobicContact CB-CG1 3.67Å; Q1032-V1049 HydrophobicContact CG-CG1 4.03Å; C1033-V1049 CarbonylContact O-C 3.45Å; C1033-V1049 WeakPolarHBondContact O-CA 3.41Å; R1034-V1049 HydrophobicContact CB-CG2 4.5Å; V1049-V1051 HydrophobicContact CG1-CG2 4.15Å | ||
| 1050 | G | 91.7 | Very high | 90.2 | Very high | 7 Ų | 7 | 50 Ų | 50 | 7% | 0.072 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 134.9 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | P966 C1033 D1048 | P966-G1050 WeakPolarHBondContact O-CA 3.2Å; C1033-G1050 PolarHBondContact N-O 2.82Å; C1033-G1050 PolarHBondContact O-N 2.79Å; C1033-G1050 PolarHBondContact SG-O 2.84Å; D1048-G1050 PolarHBondContact O-N 3Å |
| 1051 | V | 92.8 | Very high | 90.5 | Very high | 79 Ų | 79 | 50.1 Ų | 50.1 | 48% | 0.479 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 129.3 | 178.8 | -174.4 | 0 | 0 | 0 | 0 | 109.3 | K1003 Y1031 Q1032 V1049 | K1003-V1051 HydrophobicContact CD-CG1 4.32Å; Y1031-V1051 WeakPolarHBondContact O-CA 3.16Å; Q1032-V1051 HydrophobicContact CG-CG2 4.35Å; V1049-V1051 HydrophobicContact CG1-CG2 4.15Å |
| 1052 | F | 91.6 | Very high | 90.9 | Very high | 16 Ų | 16 | 48.9 Ų | 48.9 | 7% | 0.07 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 155.1 | 174.1 | 68.4 | -86.7 | 0 | 0 | 0 | 110.4 | V968 L972 A977 I979 L1022 L1025 A1030 Y1031 C1033 T1054 | V968-F1052 HydrophobicContact CG2-CB 3.53Å; V968-F1052 HydrophobicContact CG2-CD1 4.05Å; V968-F1052 HydrophobicContact CG2-CD2 4.04Å; V968-F1052 HydrophobicContact CG2-CG 3.61Å; L972-F1052 HydrophobicContact CD1-CD2 4.21Å; A977-F1052 HydrophobicContact CB-CD2 4.31Å; A977-F1052 HydrophobicContact CB-CE2 3.7Å; A977-F1052 HydrophobicContact CB-CZ 4.1Å; I979-F1052 HydrophobicContact CD1-CD1 4.01Å; I979-F1052 HydrophobicContact CD1-CE1 3.66Å; I979-F1052 HydrophobicContact CD1-CZ 4.06Å; L1022-F1052 HydrophobicContact CD1-CE1 4.15Å; L1022-F1052 HydrophobicContact CD1-CZ 3.67Å; L1025-F1052 HydrophobicContact CD1-CE2 3.88Å; L1025-F1052 HydrophobicContact CD1-CZ 4.09Å; A1030-F1052 CarbonylContact C-O 3.53Å; Y1031-F1052 HydrophobicContact CD2-CE2 4.12Å; Y1031-F1052 HydrophobicContact CD2-CZ 4.33Å; Y1031-F1052 HydrophobicContact CG-CE2 4.37Å; Y1031-F1052 HydrophobicContact CG-CZ 4.16Å; Y1031-F1052 PolarHBondContact N-O 3.05Å; Y1031-F1052 PolarHBondContact O-N 2.89Å; Y1031-F1052 VanDerWaalsContact O-N 3.11Å; C1033-F1052 HydrophobicContact CB-CE1 4.26Å; F1052-T1054 HydrophobicContact CE2-CG2 4.05Å |
| 1053 | T | 90.4 | Very high | 91 | Very high | 77 Ų | 77 | 53.1 Ų | 53.1 | 47% | 0.472 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 117.8 | 176.4 | -55.1 | 0 | 0 | 0 | 0 | 107.7 | L972 G1028 T1029 A1030 | L972-T1053 WeakPolarHBondContact CD2-O 3.22Å; G1028-T1053 WeakPolarHBondContact O-CG2 3.42Å; T1029-T1053 WeakPolarHBondContact O-CA 3.44Å; A1030-T1053 HydrophobicContact CB-CG2 4.49Å |
| 1054 | T | 90 | Very high | 90.9 | Very high | 4 Ų | 4 | 52.3 Ų | 52.3 | 3% | 0.025 | 30% | 0.295 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 156.9 | 179.2 | 48.5 | 0 | 0 | 0 | 0 | 111.2 | S974 L1025 S1026 G1028 T1029 Y1031 F1052 A1056 | S974-T1054 VanDerWaalsContact O-CB 3.3Å; S974-T1054 WeakPolarHBondContact O-CB 3.48Å; L1025-T1054 HydrophobicContact CB-CG2 3.9Å; L1025-T1054 HydrophobicContact CD1-CG2 3.69Å; L1025-T1054 HydrophobicContact CG-CG2 4.47Å; S1026-T1054 PolarHBondContact O-OG1 2.83Å; G1028-T1054 VanDerWaalsContact CA-O 3.26Å; G1028-T1054 WeakPolarHBondContact CA-O 3.49Å; G1028-T1054 PolarHBondContact N-O 3.42Å; G1028-T1054 PolarHBondContact N-OG1 3.49Å; T1029-T1054 PolarHBondContact N-OG1 2.93Å; T1029-T1054 PolarHBondContact O-N 2.99Å; T1029-T1054 VanDerWaalsContact O-N 3.17Å; T1029-T1054 PolarHBondContact O-OG1 2.96Å; Y1031-T1054 HydrophobicContact CD2-CG2 4.1Å; Y1031-T1054 HydrophobicContact CE2-CG2 4.11Å; F1052-T1054 HydrophobicContact CE2-CG2 4.05Å; T1054-A1056 PolarHBondContact O-N 3.4Å |
| 1055 | M | 88.4 | Confident | 90.9 | Very high | 104 Ų | 104 | 52.2 Ų | 52.2 | 51% | 0.512 | 29% | 0.294 | S | S | . | . | P | Polyproline II helix | trans | -63.8 | 133.6 | 175.3 | -67.1 | -163.7 | 71 | 0 | 0 | 110.2 | H973 S974 G1028 | H973-M1055 PolarHBondContact O-N 3.23Å; S974-M1055 WeakPolarHBondContact CA-O 3.26Å; S974-M1055 WeakPolarHBondContact CB-O 3.39Å; G1028-M1055 PolarHBondContact N-O 2.78Å |
| 1056 | A | 84.9 | Confident | 90.9 | Very high | 20 Ų | 20 | 52 Ų | 52 | 17% | 0.165 | 29% | 0.292 | C | S | . | . | P | Polyproline II helix | trans | -63.9 | 143.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | T1054 G1087 A1089 I1153 A1154 | T1054-A1056 PolarHBondContact O-N 3.4Å; A1056-G1087 CarbonylContact C-O 3.52Å; A1056-G1087 WeakPolarHBondContact CA-O 3.49Å; A1056-G1087 WeakPolarHBondContact CB-O 3.45Å; A1056-A1089 HydrophobicContact CB-CB 3.76Å; A1056-I1153 HydrophobicContact CB-CD1 4.49Å; A1056-I1153 HydrophobicContact CB-CG1 4.31Å; A1056-A1154 HydrophobicContact CB-CB 4.21Å; A1056-A1154 VanDerWaalsContact O-CB 3.26Å; A1056-A1154 WeakPolarHBondContact O-CB 3.49Å |
| 1057 | V | 87.5 | Confident | 90.8 | Very high | 53 Ų | 53 | 52.4 Ų | 52.4 | 32% | 0.321 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -98.7 | 171.3 | 168.1 | -65.3 | 0 | 0 | 0 | 0 | 110 | S974 P1027 G1087 N1152 | S974-V1057 WeakPolarHBondContact OG-CG1 3.21Å; P1027-V1057 HydrophobicContact CB-CB 4.4Å; P1027-V1057 HydrophobicContact CB-CG1 4.06Å; P1027-V1057 HydrophobicContact CB-CG2 3.75Å; P1027-V1057 HydrophobicContact CG-CG1 4.11Å; P1027-V1057 HydrophobicContact CG-CG2 3.86Å; V1057-G1087 PolarHBondContact N-O 3.01Å; V1057-G1087 WeakPolarHBondContact O-CA 3.49Å; V1057-N1152 PolarHBondContact O-ND2 2.9Å |
| 1058 | H | 88.8 | Confident | 90.4 | Very high | 106 Ų | 106 | 53.8 Ų | 53.8 | 49% | 0.491 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -57.1 | 145 | 167.4 | -51.8 | -46.8 | 0 | 0 | 0 | 110.8 | A1154 G1155 Q1156 | H1058-A1154 PolarHBondContact CE1-O 2.87Å; H1058-A1154 PolarHBondContact ND1-O 2.86Å; H1058-G1155 WeakPolarHBondContact ND1-CA 2.95Å; H1058-G1155 PolarHBondContact ND1-N 3.45Å; H1058-Q1156 WeakPolarHBondContact CB-O 3.41Å |
| 1059 | P | 89.7 | Confident | 90 | Very high | 4 Ų | 4 | 50.3 Ų | 50.3 | 3% | 0.026 | 30% | 0.302 | C | S | . | . | P | Polyproline II helix | trans | -58.5 | 150.3 | 178.4 | -26.6 | 37.4 | 0 | 0 | 0 | 112.9 | P1083 I1091 A1150 N1152 G1157 A1158 | P1059-P1083 HydrophobicContact CB-CG 4.32Å; P1059-I1091 HydrophobicContact CB-CD1 3.92Å; P1059-I1091 HydrophobicContact CG-CD1 3.58Å; P1059-A1150 HydrophobicContact CB-CB 3.97Å; P1059-A1150 HydrophobicContact CG-CB 4.26Å; P1059-A1150 WeakPolarHBondContact CG-O 3.21Å; P1059-N1152 HydrophobicContact CG-CB 3.85Å; P1059-G1157 VanDerWaalsContact O-CA 3.25Å; P1059-G1157 WeakPolarHBondContact O-CA 3.42Å; P1059-A1158 PolarHBondContact O-N 3.43Å |
| 1060 | G | 86.8 | Confident | 89.6 | Confident | 12 Ų | 12 | 56.9 Ų | 56.9 | 12% | 0.124 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -61.6 | 165.2 | 170 | 0 | 0 | 0 | 0 | 0 | 112.1 | V1062 P1083 T1085 | G1060-V1062 PolarHBondContact O-N 2.87Å; G1060-P1083 WeakPolarHBondContact O-CB 3.35Å; G1060-P1083 WeakPolarHBondContact O-CG 3.4Å; G1060-T1085 PolarHBondContact N-O 2.77Å |
| 1061 | P | 90.2 | Very high | 89.5 | Confident | 76 Ų | 76 | 58.4 Ų | 58.4 | 49% | 0.494 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -60.3 | 137.9 | 178.4 | 26 | -33.8 | 0 | 0 | 0 | 110.9 | A1158 | P1061-A1158 HydrophobicContact CB-CB 4.09Š|
| 1062 | V | 92.6 | Very high | 89.3 | Confident | 3 Ų | 3 | 60.5 Ų | 60.5 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 136.6 | 168.1 | 176.6 | 0 | 0 | 0 | 0 | 107.8 | G1060 W1080 P1083 Y1094 V1148 A1150 S1160 | G1060-V1062 PolarHBondContact O-N 2.87Å; V1062-W1080 HydrophobicContact CG1-CB 3.7Å; V1062-W1080 HydrophobicContact CG1-CG 4.01Å; V1062-P1083 HydrophobicContact CG2-CG 3.85Å; V1062-Y1094 HydrophobicContact CG2-CD1 4.25Å; V1062-Y1094 HydrophobicContact CG2-CE1 4.22Å; V1062-V1148 HydrophobicContact CB-CB 4.47Å; V1062-V1148 HydrophobicContact CG1-CB 4.33Å; V1062-V1148 HydrophobicContact CG1-CG1 4.36Å; V1062-V1148 HydrophobicContact CG2-CG1 4.33Å; V1062-A1150 HydrophobicContact CG2-CB 4.08Å; V1062-S1160 VanDerWaalsContact O-CA 3.28Å; V1062-S1160 WeakPolarHBondContact O-CA 3.38Å; V1062-S1160 WeakPolarHBondContact O-CB 3.08Å |
| 1063 | K | 90.3 | Very high | 88.9 | Confident | 119 Ų | 119 | 60.9 Ų | 60.9 | 52% | 0.517 | 34% | 0.342 | S | S | . | . | P | Polyproline II helix | trans | -60.9 | 148 | 173.6 | -69 | -168.8 | 178.4 | -177 | 0 | 110.2 | E1084 | K1063-E1084 WeakPolarHBondContact CE-OE1 3.39Å; K1063-E1084 IonicContact NZ-OE1 3.89Å; K1063-E1084 PolarHBondContact NZ-OE1 3.15Å |
| 1064 | V | 91.7 | Very high | 88.8 | Confident | 81 Ų | 81 | 60.6 Ų | 60.6 | 49% | 0.491 | 34% | 0.34 | S | S | . | . | trans | -43.4 | 123 | -175.9 | 64.4 | 0 | 0 | 0 | 0 | 111.1 | E1161 L1163 | V1064-E1161 HydrophobicContact CB-CB 4.3Å; V1064-L1163 HydrophobicContact CG2-CB 4.4Å | ||
| 1065 | P | 92.1 | Very high | 88.7 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.019 | 34% | 0.339 | C | S | . | . | trans | -69.8 | 153 | -171.8 | 28.3 | -35.3 | 0 | 0 | 0 | 110.8 | V1078 W1080 L1146 V1148 L1163 | P1065-V1078 HydrophobicContact CB-CG1 3.77Å; P1065-V1078 HydrophobicContact CG-CG1 4.46Å; P1065-W1080 HydrophobicContact CB-CB 4.25Å; P1065-L1146 HydrophobicContact CB-CD2 4.27Å; P1065-L1146 HydrophobicContact CG-CD2 3.54Å; P1065-V1148 HydrophobicContact CB-CG2 4.01Å; P1065-V1148 HydrophobicContact CG-CG2 3.98Å; P1065-L1163 HydrophobicContact CG-CB 3.7Å; P1065-L1163 HydrophobicContact CG-CD2 4.2Å | ||
| 1066 | T | 93.3 | Very high | 88.9 | Confident | 82 Ų | 82 | 55.6 Ų | 55.6 | 50% | 0.503 | 32% | 0.316 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 150.2 | -173.1 | 66 | 0 | 0 | 0 | 0 | 111.5 | A1068 V1078 K1079 | T1066-A1068 PolarHBondContact O-N 3.09Å; T1066-V1078 CarbonylContact O-C 3.52Å; T1066-V1078 WeakPolarHBondContact O-CA 3.37Å; T1066-K1079 WeakPolarHBondContact CA-O 3.39Å; T1066-K1079 PolarHBondContact N-O 3.29Å; T1066-K1079 PolarHBondContact O-N 2.64Å; T1066-K1079 PolarHBondContact OG1-O 3.29Å |
| 1067 | I | 93.7 | Very high | 89.3 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 31% | 0.313 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 109.9 | 178.2 | -54.9 | -179.7 | 0 | 0 | 0 | 109.1 | G1069 V1071 V1076 H1077 L1163 F1165 | I1067-G1069 WeakPolarHBondContact CG2-O 3.25Å; I1067-G1069 PolarHBondContact O-N 2.85Å; I1067-V1071 HydrophobicContact CD1-CG2 3.78Å; I1067-V1071 HydrophobicContact CG2-CG2 3.92Å; I1067-V1076 HydrophobicContact CG1-CG2 4.48Å; I1067-V1076 HydrophobicContact CG2-CG2 3.89Å; I1067-H1077 CarbonylContact C-O 3.52Å; I1067-H1077 WeakPolarHBondContact CA-O 3.27Å; I1067-L1163 HydrophobicContact CD1-CD2 4.45Å; I1067-L1163 HydrophobicContact CG1-CD1 4.47Å; I1067-L1163 HydrophobicContact CG1-CD2 3.89Å; I1067-F1165 HydrophobicContact CD1-CB 3.91Å; I1067-F1165 HydrophobicContact CD1-CG 4.45Å |
| 1068 | A | 85.5 | Confident | 89.6 | Confident | 38 Ų | 38 | 54.4 Ų | 54.4 | 31% | 0.314 | 30% | 0.303 | S | S | . | . | trans | -85.4 | 51.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | T1066 H1077 K1079 | T1066-A1068 PolarHBondContact O-N 3.09Å; A1068-H1077 VanDerWaalsContact CB-ND1 3.33Å; A1068-H1077 WeakPolarHBondContact CB-ND1 3.36Å; A1068-H1077 PolarHBondContact N-O 2.88Å; A1068-H1077 PolarHBondContact O-ND1 3.35Å; A1068-K1079 HydrophobicContact CB-CB 3.8Å | ||
| 1069 | G | 85.1 | Confident | 89.9 | Confident | 54 Ų | 54 | 53.3 Ų | 53.3 | 56% | 0.557 | 30% | 0.297 | S | S | * | . | S | Bend | trans | 153.5 | -164.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1067 | I1067-G1069 WeakPolarHBondContact CG2-O 3.25Å; I1067-G1069 PolarHBondContact O-N 2.85Å |
| 1070 | K | 85.6 | Confident | 90.2 | Very high | 196 Ų | 196 | 53.3 Ų | 53.3 | 85% | 0.852 | 30% | 0.296 | S | S | * | . | P | Polyproline II helix | trans | -81.2 | 134 | 166.8 | -66.9 | -173 | 178 | -174.9 | 0 | 109.6 | K1072 | K1070-K1072 PolarHBondContact O-N 3.15Š|
| 1071 | V | 88.1 | Confident | 90.4 | Very high | 38 Ų | 38 | 58.1 Ų | 58.1 | 23% | 0.23 | 32% | 0.319 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 133.7 | 169.6 | -166.7 | 0 | 0 | 0 | 0 | 108.8 | I1067 V1076 F1165 | I1067-V1071 HydrophobicContact CD1-CG2 3.78Å; I1067-V1071 HydrophobicContact CG2-CG2 3.92Å; V1071-V1076 HydrophobicContact CG1-CB 4.32Å; V1071-V1076 HydrophobicContact CG1-CG2 4.3Å; V1071-V1076 HydrophobicContact CG2-CG2 4.31Å; V1071-F1165 HydrophobicContact CG1-CD2 4.11Å; V1071-F1165 HydrophobicContact CG1-CE2 4.36Å |
| 1072 | K | 88.2 | Confident | 90.4 | Very high | 123 Ų | 123 | 59.4 Ų | 59.4 | 54% | 0.535 | 32% | 0.318 | S | S | . | . | P | Polyproline II helix | trans | -96 | 173.9 | 176.8 | -55.8 | 178.4 | -176.9 | 174.4 | 0 | 109.7 | K1070 G1075 A1168 | K1070-K1072 PolarHBondContact O-N 3.15Å; K1072-G1075 WeakPolarHBondContact CA-O 3.49Å; K1072-G1075 WeakPolarHBondContact CB-O 3.09Å; K1072-G1075 PolarHBondContact N-O 3.08Å; K1072-A1168 PolarHBondContact O-N 2.84Å; K1072-A1168 VanDerWaalsContact O-N 3.13Å |
| 1073 | A | 84.9 | Confident | 90.3 | Very high | 24 Ų | 24 | 59.6 Ų | 59.6 | 20% | 0.198 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -65.4 | -41.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | P1140 T1167 A1168 | A1073-P1140 HydrophobicContact CB-CB 4.09Å; A1073-P1140 HydrophobicContact CB-CG 4.19Å; A1073-P1140 VanDerWaalsContact O-CA 3.31Å; A1073-P1140 WeakPolarHBondContact O-CA 3.44Å; A1073-T1167 WeakPolarHBondContact O-CB 3.32Å; A1073-A1168 VanDerWaalsContact CA-O 3.27Å; A1073-A1168 WeakPolarHBondContact CA-O 3.5Å |
| 1074 | T | 86.9 | Confident | 90.1 | Very high | 72 Ų | 72 | 61.3 Ų | 61.3 | 44% | 0.442 | 33% | 0.33 | S | S | . | . | S | Bend | trans | -112.1 | 16.2 | -173.7 | 53.2 | 0 | 0 | 0 | 0 | 114.2 | Q1136 L1137 L1138 P1140 | T1074-Q1136 CarbonylContact O-C 3.5Å; T1074-Q1136 WeakPolarHBondContact O-CA 3.42Å; T1074-L1137 PolarHBondContact O-N 2.69Å; T1074-L1138 WeakPolarHBondContact CA-O 3.38Å; T1074-L1138 PolarHBondContact O-N 3.25Å; T1074-P1140 HydrophobicContact CG2-CG 4.27Å |
| 1075 | G | 88.5 | Confident | 89.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 178.6 | 166.7 | -179.6 | 0 | 0 | 0 | 0 | 0 | 116 | K1072 I1135 | K1072-G1075 WeakPolarHBondContact CA-O 3.49Å; K1072-G1075 WeakPolarHBondContact CB-O 3.09Å; K1072-G1075 PolarHBondContact N-O 3.08Å; G1075-I1135 CarbonylContact C-O 3.53Å; G1075-I1135 WeakPolarHBondContact CA-O 3.3Å |
| 1076 | V | 93.3 | Very high | 89.6 | Confident | 3 Ų | 3 | 63.7 Ų | 63.7 | 2% | 0.018 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 146.6 | -178 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | I1067 V1071 V1078 I1135 L1138 F1165 | I1067-V1076 HydrophobicContact CG1-CG2 4.48Å; I1067-V1076 HydrophobicContact CG2-CG2 3.89Å; V1071-V1076 HydrophobicContact CG1-CB 4.32Å; V1071-V1076 HydrophobicContact CG1-CG2 4.3Å; V1071-V1076 HydrophobicContact CG2-CG2 4.31Å; V1076-V1078 HydrophobicContact CB-CG2 4.34Å; V1076-V1078 HydrophobicContact CG1-CG2 3.72Å; V1076-V1078 HydrophobicContact CG2-CG2 3.79Å; V1076-I1135 HydrophobicContact CG1-CB 3.99Å; V1076-I1135 HydrophobicContact CG1-CD1 4.18Å; V1076-I1135 PolarHBondContact N-O 3.06Å; V1076-I1135 PolarHBondContact O-N 3.43Å; V1076-L1138 HydrophobicContact CG1-CD1 4.03Å; V1076-F1165 HydrophobicContact CB-CE2 3.94Å; V1076-F1165 HydrophobicContact CB-CZ 4.19Å; V1076-F1165 HydrophobicContact CG1-CE1 4.32Å; V1076-F1165 HydrophobicContact CG1-CE2 3.87Å; V1076-F1165 HydrophobicContact CG1-CZ 3.59Å; V1076-F1165 HydrophobicContact CG2-CD2 4.41Å; V1076-F1165 HydrophobicContact CG2-CE2 4.21Å |
| 1077 | H | 93.5 | Very high | 89 | Confident | 47 Ų | 47 | 60 Ų | 60 | 22% | 0.218 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 121.4 | 169.8 | -173 | -147 | 0 | 0 | 0 | 108.1 | I1067 A1068 C1133 N1134 | I1067-H1077 CarbonylContact C-O 3.52Å; I1067-H1077 WeakPolarHBondContact CA-O 3.27Å; A1068-H1077 VanDerWaalsContact CB-ND1 3.33Å; A1068-H1077 WeakPolarHBondContact CB-ND1 3.36Å; A1068-H1077 PolarHBondContact N-O 2.88Å; A1068-H1077 PolarHBondContact O-ND1 3.35Å; H1077-C1133 PolarHBondContact CD2-O 2.99Å; H1077-N1134 WeakPolarHBondContact CB-OD1 3.4Å; H1077-N1134 PolarHBondContact CD2-ND2 3Å; H1077-N1134 PolarHBondContact CD2-OD1 3.1Å; H1077-N1134 VanDerWaalsContact CD2-OD1 3.27Å; H1077-N1134 PolarHBondContact NE2-ND2 3.12Å |
| 1078 | V | 93.7 | Very high | 88.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.5 | -171.4 | -175.9 | 0 | 0 | 0 | 0 | 109.3 | P1065 T1066 V1076 W1080 E1132 C1133 I1135 L1146 L1163 | P1065-V1078 HydrophobicContact CB-CG1 3.77Å; P1065-V1078 HydrophobicContact CG-CG1 4.46Å; T1066-V1078 CarbonylContact O-C 3.52Å; T1066-V1078 WeakPolarHBondContact O-CA 3.37Å; V1076-V1078 HydrophobicContact CB-CG2 4.34Å; V1076-V1078 HydrophobicContact CG1-CG2 3.72Å; V1076-V1078 HydrophobicContact CG2-CG2 3.79Å; V1078-W1080 HydrophobicContact CB-CZ3 4.48Å; V1078-W1080 HydrophobicContact CG1-CE3 4.19Å; V1078-W1080 HydrophobicContact CG1-CZ3 4.25Å; V1078-W1080 WeakPolarHBondContact O-CZ3 3.4Å; V1078-E1132 CarbonylContact O-C 3.58Å; V1078-E1132 VanDerWaalsContact O-CA 3.24Å; V1078-E1132 WeakPolarHBondContact O-CA 3.48Å; V1078-C1133 PolarHBondContact N-O 2.6Å; V1078-C1133 PolarHBondContact O-N 2.96Å; V1078-I1135 HydrophobicContact CG2-CD1 4.45Å; V1078-L1146 HydrophobicContact CG1-CD1 4.32Å; V1078-L1146 HydrophobicContact CG1-CD2 4.03Å; V1078-L1146 HydrophobicContact CG2-CD1 3.93Å; V1078-L1163 HydrophobicContact CG1-CD2 4.38Å |
| 1079 | K | 94.7 | Very high | 88.3 | Confident | 84 Ų | 84 | 57.5 Ų | 57.5 | 37% | 0.365 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 137.7 | -176.8 | 179.5 | 167.5 | -169.9 | 137.8 | 0 | 111 | T1066 A1068 M1131 E1132 | T1066-K1079 WeakPolarHBondContact CA-O 3.39Å; T1066-K1079 PolarHBondContact N-O 3.29Å; T1066-K1079 PolarHBondContact O-N 2.64Å; T1066-K1079 PolarHBondContact OG1-O 3.29Å; A1068-K1079 HydrophobicContact CB-CB 3.8Å; K1079-M1131 WeakPolarHBondContact CA-O 3.22Å; K1079-E1132 HydrophobicContact CB-CB 4.08Å; K1079-E1132 HydrophobicContact CD-CB 4.5Å; K1079-E1132 HydrophobicContact CG-CB 4.14Å; K1079-E1132 IonicContact NZ-OE2 3.68Å; K1079-E1132 PolarHBondContact NZ-OE2 2.88Å |
| 1080 | W | 94.8 | Very high | 88.4 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.015 | 33% | 0.328 | C | S | . | . | trans | -128.7 | -179 | 177 | 52 | 99.5 | 0 | 0 | 0 | 110.1 | V1062 P1065 V1078 Y1094 V1096 Y1126 K1130 M1131 C1133 V1148 | V1062-W1080 HydrophobicContact CG1-CB 3.7Å; V1062-W1080 HydrophobicContact CG1-CG 4.01Å; P1065-W1080 HydrophobicContact CB-CB 4.25Å; V1078-W1080 HydrophobicContact CB-CZ3 4.48Å; V1078-W1080 HydrophobicContact CG1-CE3 4.19Å; V1078-W1080 HydrophobicContact CG1-CZ3 4.25Å; V1078-W1080 WeakPolarHBondContact O-CZ3 3.4Å; W1080-Y1094 AromaticContact CD1-CD1 3.74Å; W1080-Y1094 AromaticContact CD1-CE1 3.79Å; W1080-Y1094 HydrophobicContact CZ2-CG 4.24Å; W1080-Y1094 AromaticContact NE1-CD1 3.14Å; W1080-Y1094 AromaticContact NE1-CD2 3.73Å; W1080-Y1094 AromaticContact NE1-CE1 3.55Å; W1080-Y1094 AromaticContact NE1-CG 3.24Å; W1080-V1096 HydrophobicContact CH2-CG2 3.42Å; W1080-V1096 VanDerWaalsContact CH2-CG2 3.42Å; W1080-V1096 HydrophobicContact CZ2-CG2 3.93Å; W1080-V1096 HydrophobicContact CZ3-CG2 3.85Å; W1080-Y1126 HydrophobicContact CH2-CD1 4.18Å; W1080-Y1126 HydrophobicContact CH2-CE1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CD1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CE1 4.28Å; W1080-K1130 WeakPolarHBondContact CZ2-O 3.42Å; W1080-M1131 PolarHBondContact N-O 3.37Å; W1080-C1133 HydrophobicContact CH2-CB 4.08Å; W1080-C1133 HydrophobicContact CZ3-CB 4.47Å; W1080-V1148 HydrophobicContact CD2-CG1 3.94Å; W1080-V1148 HydrophobicContact CD2-CG2 4.23Å; W1080-V1148 HydrophobicContact CE3-CG2 4.11Å; W1080-V1148 HydrophobicContact CG-CG1 4.14Å; W1080-V1148 HydrophobicContact CZ2-CG1 4.25Å | ||
| 1081 | N | 91.9 | Very high | 88.6 | Confident | 113 Ų | 113 | 55.6 Ų | 55.6 | 60% | 0.604 | 30% | 0.295 | S | S | * | . | trans | -116.2 | 168.5 | 170.5 | -65.1 | -36.8 | 0 | 0 | 0 | 109 | ||||
| 1082 | Q | 91 | Very high | 88.7 | Confident | 102 Ų | 102 | 59.5 Ų | 59.5 | 48% | 0.477 | 31% | 0.309 | S | S | . | . | trans | -60.2 | 147.2 | 170.1 | -170.2 | 171 | -0.9 | 0 | 0 | 110.8 | T1086 I1091 Y1094 M1131 | Q1082-T1086 HydrophobicContact CG-CG2 4.49Å; Q1082-T1086 VanDerWaalsContact NE2-CG2 3.28Å; Q1082-I1091 HydrophobicContact CG-CG1 4.5Å; Q1082-Y1094 WeakPolarHBondContact CA-OH 3.23Å; Q1082-M1131 HydrophobicContact CB-SD 4.16Å; Q1082-M1131 PolarHBondContact N-SD 3.28Å | ||
| 1083 | P | 90.5 | Very high | 89 | Confident | 8 Ų | 8 | 55.1 Ų | 55.1 | 5% | 0.052 | 29% | 0.291 | C | S | . | . | trans | -56.6 | 151.1 | 170.8 | -24.5 | 33.7 | 0 | 0 | 0 | 112.3 | P1059 G1060 V1062 T1085 A1150 | P1059-P1083 HydrophobicContact CB-CG 4.32Å; G1060-P1083 WeakPolarHBondContact O-CB 3.35Å; G1060-P1083 WeakPolarHBondContact O-CG 3.4Å; V1062-P1083 HydrophobicContact CG2-CG 3.85Å; P1083-T1085 PolarHBondContact O-N 2.96Å; P1083-A1150 HydrophobicContact CG-CB 3.65Å | ||
| 1084 | E | 86.1 | Confident | 89.5 | Confident | 155 Ų | 155 | 54.5 Ų | 54.5 | 72% | 0.724 | 28% | 0.284 | S | S | * | . | S | Bend | trans | -63.8 | -28.4 | 174.9 | -63.3 | -172.9 | 137.5 | 0 | 0 | 112.2 | K1063 | K1063-E1084 WeakPolarHBondContact CE-OE1 3.39Å; K1063-E1084 IonicContact NZ-OE1 3.89Å; K1063-E1084 PolarHBondContact NZ-OE1 3.15Å |
| 1085 | T | 84.8 | Confident | 89.9 | Confident | 90 Ų | 90 | 51.6 Ų | 51.6 | 55% | 0.552 | 27% | 0.265 | S | S | * | . | trans | -124.1 | 119.3 | 172.2 | 56.8 | 0 | 0 | 0 | 0 | 110.3 | G1060 P1083 G1087 | G1060-T1085 PolarHBondContact N-O 2.77Å; P1083-T1085 PolarHBondContact O-N 2.96Å; T1085-G1087 PolarHBondContact O-N 2.88Å; T1085-G1087 VanDerWaalsContact O-N 3.15Å | ||
| 1086 | T | 86.8 | Confident | 90.1 | Very high | 43 Ų | 43 | 51.6 Ų | 51.6 | 26% | 0.264 | 27% | 0.265 | S | S | . | . | trans | -74.3 | 0.6 | 178.3 | 60.3 | 0 | 0 | 0 | 0 | 113.8 | Q1082 G1088 A1089 I1091 N1152 | Q1082-T1086 HydrophobicContact CG-CG2 4.49Å; Q1082-T1086 VanDerWaalsContact NE2-CG2 3.28Å; T1086-G1088 PolarHBondContact O-N 3.32Å; T1086-G1088 PolarHBondContact OG1-N 3.35Å; T1086-A1089 WeakPolarHBondContact CB-O 3.4Å; T1086-I1091 HydrophobicContact CG2-CD1 4.43Å; T1086-I1091 HydrophobicContact CG2-CG1 4.47Å; T1086-N1152 PolarHBondContact O-ND2 3.31Å | ||
| 1087 | G | 82.2 | Confident | 90.1 | Very high | 6 Ų | 6 | 52.5 Ų | 52.5 | 6% | 0.062 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 69.5 | 7.1 | -167 | 0 | 0 | 0 | 0 | 0 | 114 | A1056 V1057 T1085 | A1056-G1087 CarbonylContact C-O 3.52Å; A1056-G1087 WeakPolarHBondContact CA-O 3.49Å; A1056-G1087 WeakPolarHBondContact CB-O 3.45Å; V1057-G1087 PolarHBondContact N-O 3.01Å; V1057-G1087 WeakPolarHBondContact O-CA 3.49Å; T1085-G1087 PolarHBondContact O-N 2.88Å; T1085-G1087 VanDerWaalsContact O-N 3.15Å |
| 1088 | G | 80.1 | Confident | 90 | Very high | 31 Ų | 31 | 51 Ų | 51 | 32% | 0.32 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | 8.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.5 | P1027 G1028 T1086 | P1027-G1088 WeakPolarHBondContact O-CA 3.33Å; G1028-G1088 WeakPolarHBondContact CA-O 3.45Å; T1086-G1088 PolarHBondContact O-N 3.32Å; T1086-G1088 PolarHBondContact OG1-N 3.35Å |
| 1089 | A | 84.7 | Confident | 89.6 | Confident | 15 Ų | 15 | 52.7 Ų | 52.7 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -138.2 | 160 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A1056 T1086 N1152 I1153 | A1056-A1089 HydrophobicContact CB-CB 3.76Å; T1086-A1089 WeakPolarHBondContact CB-O 3.4Å; A1089-N1152 HydrophobicContact CB-CB 4.16Å; A1089-I1153 HydrophobicContact CB-CD1 3.76Å; A1089-I1153 HydrophobicContact CB-CG1 3.6Å |
| 1090 | E | 86.6 | Confident | 88.9 | Confident | 177 Ų | 177 | 53 Ų | 53 | 83% | 0.827 | 27% | 0.273 | S | S | * | . | trans | -61.1 | 139.5 | 177 | -63.1 | -176.3 | 164 | 0 | 0 | 111.5 | K1092 N1152 | E1090-K1092 PolarHBondContact O-N 3.14Å; E1090-N1152 VanDerWaalsContact O-CB 3.32Å; E1090-N1152 WeakPolarHBondContact O-CB 3.06Å | ||
| 1091 | I | 89.8 | Confident | 88 | Confident | 32 Ų | 32 | 54.7 Ų | 54.7 | 16% | 0.164 | 28% | 0.282 | C | S | . | . | trans | -74.9 | 119.6 | 175.6 | -53.8 | -52.7 | 0 | 0 | 0 | 108.2 | P1059 Q1082 T1086 D1093 Y1094 A1150 N1151 N1152 | P1059-I1091 HydrophobicContact CB-CD1 3.92Å; P1059-I1091 HydrophobicContact CG-CD1 3.58Å; Q1082-I1091 HydrophobicContact CG-CG1 4.5Å; T1086-I1091 HydrophobicContact CG2-CD1 4.43Å; T1086-I1091 HydrophobicContact CG2-CG1 4.47Å; I1091-D1093 WeakPolarHBondContact CG2-O 3.5Å; I1091-Y1094 HydrophobicContact CG2-CD2 4.45Å; I1091-Y1094 HydrophobicContact CG2-CE1 4.25Å; I1091-Y1094 HydrophobicContact CG2-CE2 3.99Å; I1091-A1150 HydrophobicContact CD1-CB 4.11Å; I1091-A1150 HydrophobicContact CG2-CB 3.94Å; I1091-N1151 CarbonylContact C-O 3.56Å; I1091-N1151 WeakPolarHBondContact CA-O 3.33Å; I1091-N1152 HydrophobicContact CD1-CB 4.36Å | ||
| 1092 | K | 90 | Very high | 86.6 | Confident | 121 Ų | 121 | 54.5 Ų | 54.5 | 53% | 0.526 | 28% | 0.281 | S | S | . | . | trans | -76 | -51.5 | 178.8 | -67.4 | 177 | 179.1 | 166.8 | 0 | 111.3 | E1090 N1151 N1152 | E1090-K1092 PolarHBondContact O-N 3.14Å; K1092-N1151 PolarHBondContact N-O 2.78Å; K1092-N1152 WeakPolarHBondContact CE-O 3.48Å; K1092-N1152 PolarHBondContact NZ-O 2.84Å | ||
| 1093 | D | 93.8 | Very high | 84.8 | Confident | 31 Ų | 31 | 53.3 Ų | 53.3 | 17% | 0.166 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 170.3 | 179.9 | 58.1 | 29.5 | 0 | 0 | 0 | 111.2 | I1091 Q1127 N1151 | I1091-D1093 WeakPolarHBondContact CG2-O 3.5Å; D1093-Q1127 HydrophobicContact CB-CG 4.39Å; D1093-Q1127 WeakPolarHBondContact OD2-CG 3.45Å; D1093-Q1127 PolarHBondContact OD2-NE2 2.74Å; D1093-N1151 PolarHBondContact O-N 3.02Å; D1093-N1151 VanDerWaalsContact OD1-CB 3.26Å; D1093-N1151 WeakPolarHBondContact OD1-CB 3.34Å; D1093-N1151 PolarHBondContact OD1-ND2 2.88Å |
| 1094 | Y | 96 | Very high | 82.8 | Confident | 10 Ų | 10 | 61.4 Ų | 61.4 | 4% | 0.039 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 137 | 169 | -62.4 | -91.4 | 0 | 0 | 0 | 108.6 | V1062 W1080 Q1082 I1091 Q1127 G1128 M1131 V1148 R1149 A1150 | V1062-Y1094 HydrophobicContact CG2-CD1 4.25Å; V1062-Y1094 HydrophobicContact CG2-CE1 4.22Å; W1080-Y1094 AromaticContact CD1-CD1 3.74Å; W1080-Y1094 AromaticContact CD1-CE1 3.79Å; W1080-Y1094 HydrophobicContact CZ2-CG 4.24Å; W1080-Y1094 AromaticContact NE1-CD1 3.14Å; W1080-Y1094 AromaticContact NE1-CD2 3.73Å; W1080-Y1094 AromaticContact NE1-CE1 3.55Å; W1080-Y1094 AromaticContact NE1-CG 3.24Å; Q1082-Y1094 WeakPolarHBondContact CA-OH 3.23Å; I1091-Y1094 HydrophobicContact CG2-CD2 4.45Å; I1091-Y1094 HydrophobicContact CG2-CE1 4.25Å; I1091-Y1094 HydrophobicContact CG2-CE2 3.99Å; Y1094-Q1127 VanDerWaalsContact O-CA 3.31Å; Y1094-Q1127 WeakPolarHBondContact O-CA 3.36Å; Y1094-G1128 PolarHBondContact N-O 2.86Å; Y1094-G1128 PolarHBondContact O-N 2.93Å; Y1094-M1131 HydrophobicContact CD2-CG 4.37Å; Y1094-M1131 HydrophobicContact CE2-CG 3.59Å; Y1094-V1148 HydrophobicContact CD1-CG1 4.3Å; Y1094-R1149 CarbonylContact C-O 3.47Å; Y1094-R1149 VanDerWaalsContact CA-O 3.26Å; Y1094-R1149 WeakPolarHBondContact CA-O 3.48Å; Y1094-A1150 HydrophobicContact CD1-CB 3.75Å; Y1094-A1150 HydrophobicContact CE1-CB 3.64Å |
| 1095 | E | 94.6 | Very high | 80.4 | Confident | 11 Ų | 11 | 57.7 Ų | 57.7 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 132.8 | 167.1 | -72.2 | 172.4 | -143.9 | 0 | 0 | 109.1 | V1124 Y1126 Q1127 V1148 R1149 N1151 Q1156 W1159 | E1095-V1124 HydrophobicContact CB-CG1 4.44Å; E1095-V1124 HydrophobicContact CG-CG1 4.48Å; E1095-Y1126 WeakPolarHBondContact CA-O 3.45Å; E1095-Q1127 HydrophobicContact CG-CG 4.17Å; E1095-V1148 WeakPolarHBondContact O-CA 3.39Å; E1095-R1149 HydrophobicContact CB-CG 3.96Å; E1095-R1149 PolarHBondContact N-O 3.25Å; E1095-R1149 PolarHBondContact O-N 2.92Å; E1095-R1149 IonicContact OE1-NE 3.98Å; E1095-R1149 IonicContact OE1-NH2 2.74Å; E1095-R1149 IonicContact OE2-CZ 3.27Å; E1095-R1149 IonicContact OE2-NE 2.69Å; E1095-R1149 PolarHBondContact OE2-NE 3.07Å; E1095-R1149 IonicContact OE2-NH2 2.94Å; E1095-R1149 PolarHBondContact OE2-NH2 3.4Å; E1095-N1151 PolarHBondContact OE1-ND2 3.38Å; E1095-Q1156 PolarHBondContact OE1-NE2 2.98Å; E1095-W1159 HydrophobicContact CB-CH2 4.18Å; E1095-W1159 HydrophobicContact CB-CZ3 4.37Å |
| 1096 | V | 94.1 | Very high | 78.1 | Confident | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 121.4 | 171.3 | -175.2 | 0 | 0 | 0 | 0 | 108.2 | W1080 V1124 V1125 Y1126 I1135 L1146 V1148 | W1080-V1096 HydrophobicContact CH2-CG2 3.42Å; W1080-V1096 VanDerWaalsContact CH2-CG2 3.42Å; W1080-V1096 HydrophobicContact CZ2-CG2 3.93Å; W1080-V1096 HydrophobicContact CZ3-CG2 3.85Å; V1096-V1124 CarbonylContact O-C 3.48Å; V1096-V1124 WeakPolarHBondContact O-CA 3.48Å; V1096-V1125 HydrophobicContact CB-CG2 4.3Å; V1096-V1125 HydrophobicContact CG1-CG2 4.03Å; V1096-V1125 WeakPolarHBondContact O-CG2 3.12Å; V1096-V1125 PolarHBondContact O-N 3.49Å; V1096-Y1126 HydrophobicContact CG2-CD1 3.94Å; V1096-Y1126 HydrophobicContact CG2-CG 4.38Å; V1096-Y1126 PolarHBondContact N-O 2.97Å; V1096-Y1126 PolarHBondContact O-N 3.25Å; V1096-I1135 HydrophobicContact CG1-CD1 4.3Å; V1096-L1146 HydrophobicContact CG1-CD1 3.73Å; V1096-L1146 HydrophobicContact CG1-CD2 3.91Å; V1096-L1146 HydrophobicContact CG1-CG 3.7Å; V1096-V1148 HydrophobicContact CG1-CG2 4.22Å; V1096-V1148 HydrophobicContact CG2-CG1 4.22Å; V1096-V1148 HydrophobicContact CG2-CG2 4.02Å |
| 1097 | E | 91.6 | Very high | 75.7 | Confident | 23 Ų | 23 | 66.6 Ų | 66.6 | 11% | 0.107 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 139.2 | 178.1 | -172.2 | -178.9 | -130.7 | 0 | 0 | 110.2 | P1122 R1123 L1146 R1147 W1159 | E1097-P1122 HydrophobicContact CG-CB 3.92Å; E1097-R1123 WeakPolarHBondContact CA-O 3.5Å; E1097-L1146 WeakPolarHBondContact O-CA 3.44Å; E1097-R1147 HydrophobicContact CB-CG 4.34Å; E1097-R1147 PolarHBondContact N-O 3.44Å; E1097-R1147 PolarHBondContact O-N 2.88Å; E1097-R1147 IonicContact OE1-NH2 3.16Å; E1097-R1147 IonicContact OE2-CZ 2.68Å; E1097-R1147 IonicContact OE2-NE 3.6Å; E1097-R1147 PolarHBondContact OE2-NE 3.19Å; E1097-R1147 IonicContact OE2-NH2 3.82Å; E1097-R1147 PolarHBondContact OE2-NH2 2.93Å; E1097-W1159 HydrophobicContact CB-CE3 4.49Å; E1097-W1159 HydrophobicContact CB-CH2 3.46Å; E1097-W1159 VanDerWaalsContact CB-CH2 3.46Å; E1097-W1159 HydrophobicContact CB-CZ2 4.11Å; E1097-W1159 HydrophobicContact CB-CZ3 3.66Å; E1097-W1159 HydrophobicContact CG-CH2 4.34Å; E1097-W1159 WeakPolarHBondContact OE2-CZ2 3.44Å |
| 1098 | L | 91.4 | Very high | 73.5 | Confident | 15 Ų | 15 | 72 Ų | 72 | 8% | 0.079 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 129.4 | -178.8 | -175 | 77 | 0 | 0 | 0 | 109.7 | R1123 V1125 I1135 L1138 Y1144 L1146 F1165 | L1098-R1123 PolarHBondContact N-O 2.71Å; L1098-R1123 PolarHBondContact O-N 3.14Å; L1098-V1125 HydrophobicContact CB-CG1 3.84Å; L1098-V1125 HydrophobicContact CB-CG2 3.84Å; L1098-V1125 HydrophobicContact CD2-CG1 4.18Å; L1098-I1135 HydrophobicContact CD2-CG2 4.27Å; L1098-L1138 HydrophobicContact CD2-CD2 3.53Å; L1098-Y1144 HydrophobicContact CD1-CD1 3.89Å; L1098-Y1144 HydrophobicContact CD1-CG 4.27Å; L1098-Y1144 HydrophobicContact CD2-CD1 3.99Å; L1098-Y1144 HydrophobicContact CD2-CE1 4.2Å; L1098-Y1144 HydrophobicContact CG-CD1 3.97Å; L1098-L1146 HydrophobicContact CD1-CB 3.95Å; L1098-L1146 HydrophobicContact CD1-CD1 4.26Å; L1098-F1165 HydrophobicContact CD1-CE1 4.07Å; L1098-F1165 HydrophobicContact CD1-CZ 4.19Å |
| 1099 | C | 86.7 | Confident | 71.3 | Confident | 35 Ų | 35 | 78.8 Ų | 78.8 | 24% | 0.236 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 155.6 | 158.9 | 52.3 | 0 | 0 | 0 | 0 | 109.7 | P1122 R1145 | C1099-P1122 HydrophobicContact CB-CB 4.18Å; C1099-R1145 PolarHBondContact N-O 3.48Å; C1099-R1145 PolarHBondContact O-N 2.77Å |
| 1100 | W | 79.7 | Confident | 68.8 | Low | 90 Ų | 90 | 80.9 Ų | 80.9 | 34% | 0.341 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 160.2 | 162 | 66.1 | 47.4 | 0 | 0 | 0 | 109.8 | F1120 L1139 Y1144 | W1100-F1120 AromaticContact CD2-CD1 3.84Å; W1100-F1120 HydrophobicContact CD2-CD1 3.84Å; W1100-F1120 AromaticContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CG 4.28Å; W1100-F1120 HydrophobicContact CD2-CZ 4.43Å; W1100-F1120 AromaticContact CE2-CD1 3.65Å; W1100-F1120 AromaticContact CE2-CD2 3.76Å; W1100-F1120 AromaticContact CE2-CE1 3.78Å; W1100-F1120 AromaticContact CE2-CE2 3.9Å; W1100-F1120 AromaticContact CE2-CG 3.65Å; W1100-F1120 AromaticContact CE2-CZ 3.92Å; W1100-F1120 HydrophobicContact CE3-CD1 4.16Å; W1100-F1120 AromaticContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CZ 4.27Å; W1100-F1120 HydrophobicContact CG-CD1 4.45Å; W1100-F1120 HydrophobicContact CH2-CD1 4.26Å; W1100-F1120 HydrophobicContact CH2-CD2 4.24Å; W1100-F1120 AromaticContact CH2-CE1 3.52Å; W1100-F1120 HydrophobicContact CH2-CE1 3.52Å; W1100-F1120 AromaticContact CH2-CE2 3.52Å; W1100-F1120 HydrophobicContact CH2-CE2 3.52Å; W1100-F1120 AromaticContact CH2-CZ 3.11Å; W1100-F1120 HydrophobicContact CH2-CZ 3.11Å; W1100-F1120 AromaticContact CZ2-CD1 3.91Å; W1100-F1120 HydrophobicContact CZ2-CD1 3.91Å; W1100-F1120 AromaticContact CZ2-CD2 3.49Å; W1100-F1120 HydrophobicContact CZ2-CD2 3.49Å; W1100-F1120 VanDerWaalsContact CZ2-CD2 3.49Å; W1100-F1120 AromaticContact CZ2-CE1 3.62Å; W1100-F1120 HydrophobicContact CZ2-CE1 3.62Å; W1100-F1120 AromaticContact CZ2-CE2 3.2Å; W1100-F1120 HydrophobicContact CZ2-CE2 3.2Å; W1100-F1120 AromaticContact CZ2-CG 3.86Å; W1100-F1120 HydrophobicContact CZ2-CG 3.86Å; W1100-F1120 AromaticContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ3-CD1 4.35Å; W1100-F1120 AromaticContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE2 4.42Å; W1100-F1120 AromaticContact CZ3-CZ 3.64Å; W1100-F1120 HydrophobicContact CZ3-CZ 3.64Å; W1100-F1120 AromaticContact NE1-CD2 3.95Å; W1100-F1120 AromaticContact NE1-CG 3.68Å; W1100-L1139 HydrophobicContact CE3-CD1 4.24Å; W1100-L1139 HydrophobicContact CZ3-CD1 3.84Å; W1100-Y1144 HydrophobicContact CB-CD1 4.05Å; W1100-Y1144 HydrophobicContact CB-CE1 3.85Å |
| 1101 | L | 75.9 | Confident | 66.3 | Low | 41 Ų | 41 | 77.3 Ų | 77.3 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | trans | -104.2 | 135.1 | 165.9 | -61.7 | 175.1 | 0 | 0 | 0 | 107.7 | S1143 R1145 | L1101-S1143 PolarHBondContact N-O 2.91Å; L1101-R1145 HydrophobicContact CD1-CB 4.19Å; L1101-R1145 HydrophobicContact CD2-CB 3.8Å; L1101-R1145 HydrophobicContact CG-CB 3.96Å | ||
| 1102 | N | 61.4 | Low | 63.6 | Low | 108 Ų | 108 | 80.1 Ų | 80.1 | 58% | 0.578 | 47% | 0.471 | S | S | * | . | trans | -62.8 | 139.5 | 161.7 | -67.1 | -5 | 0 | 0 | 0 | 106.9 | E1104 | N1102-E1104 PolarHBondContact O-N 2.73Š| ||
| 1103 | D | 55.1 | Low | 60.7 | Low | 78 Ų | 78 | 85.8 Ų | 85.8 | 42% | 0.417 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -81 | 27.3 | -169.3 | -65.8 | -68.9 | 0 | 0 | 0 | 113.1 | R1142 S1143 | D1103-R1142 WeakPolarHBondContact OD2-CD 3.21Å; D1103-R1142 IonicContact OD2-CZ 2.72Å; D1103-R1142 IonicContact OD2-NH1 2.78Å; D1103-R1142 PolarHBondContact OD2-NH1 2.88Å; D1103-S1143 WeakPolarHBondContact OD1-CB 3.33Å; D1103-S1143 PolarHBondContact OD1-OG 3.03Å |
| 1104 | E | 48.4 | Very low | 58 | Low | 177 Ų | 177 | 92.8 Ų | 92.8 | 83% | 0.827 | 53% | 0.525 | S | S | * | . | trans | -117 | 139 | 171.7 | -65.5 | -172.9 | 161.2 | 0 | 0 | 109.1 | N1102 | N1102-E1104 PolarHBondContact O-N 2.73Š| ||
| 1105 | G | 35.8 | Very low | 55.1 | Low | 77 Ų | 77 | 98 Ų | 98 | 79% | 0.794 | 56% | 0.558 | S | S | * | * | trans | -93.7 | 0.6 | -157.5 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1106 | D | 35.4 | Very low | 52 | Low | 150 Ų | 150 | 104.2 Ų | 104.2 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -112.7 | 128.9 | -163.3 | -57.5 | -71.1 | 0 | 0 | 0 | 111.8 | ||||
| 1107 | E | 35.7 | Very low | 49.1 | Very low | 171 Ų | 171 | 108 Ų | 108 | 80% | 0.799 | 63% | 0.629 | S | S | * | * | trans | -71.1 | 129.6 | 168.3 | -80.5 | -85.1 | 150.7 | 0 | 0 | 109 | D1109 | E1107-D1109 PolarHBondContact O-N 2.9Š| ||
| 1108 | P | 37 | Very low | 46.4 | Very low | 118 Ų | 118 | 113.8 Ų | 113.8 | 77% | 0.766 | 66% | 0.66 | S | S | * | * | trans | -73.9 | 109.6 | -179.2 | 29 | -33.4 | 0 | 0 | 0 | 110.8 | G1110 | P1108-G1110 PolarHBondContact O-N 2.73Š| ||
| 1109 | D | 33.2 | Very low | 43.6 | Very low | 175 Ų | 175 | 119.3 Ų | 119.3 | 94% | 0.936 | 69% | 0.69 | S | S | * | * | trans | -72.9 | 93.3 | -176.9 | -162.5 | 8.2 | 0 | 0 | 0 | 112.3 | E1107 | E1107-D1109 PolarHBondContact O-N 2.9Š| ||
| 1110 | G | 33.5 | Very low | 41.7 | Very low | 59 Ų | 59 | 123.4 Ų | 123.4 | 61% | 0.608 | 70% | 0.704 | S | S | * | * | trans | 99.1 | 176.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 118.7 | P1108 | P1108-G1110 PolarHBondContact O-N 2.73Š| ||
| 1111 | A | 33.6 | Very low | 40.4 | Very low | 101 Ų | 101 | 126.5 Ų | 126.5 | 84% | 0.835 | 72% | 0.722 | S | S | * | * | trans | 56.1 | 79 | 161.2 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 1112 | A | 32.4 | Very low | 40.1 | Very low | 92 Ų | 92 | 127.6 Ų | 127.6 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | 60.4 | 122.2 | 126.3 | 0 | 0 | 0 | 0 | 0 | 122 | |||||
| 1113 | R | 29.4 | Very low | 41 | Very low | 240 Ų | 240 | 131.4 Ų | 131.4 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | 49.3 | 109 | 146.2 | -66.6 | -178.9 | 172.6 | -174.1 | -1.7 | 118 | ||||
| 1114 | L | 37.8 | Very low | 42.5 | Very low | 177 Ų | 177 | 130.7 Ų | 130.7 | 93% | 0.927 | 74% | 0.736 | S | S | * | * | -160 | 161 | 110.9 | -103.4 | 157.9 | 0 | 0 | 0 | 110.2 | |||||
| 1115 | T | 33.6 | Very low | 44.5 | Very low | 121 Ų | 121 | 125 Ų | 125 | 74% | 0.742 | 71% | 0.714 | S | S | * | * | trans | -89 | 157.4 | -172.1 | 45.5 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1116 | T | 30.7 | Very low | 47.2 | Very low | 140 Ų | 140 | 123.9 Ų | 123.9 | 86% | 0.859 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 67.7 | 66.1 | 163.6 | 50.2 | 0 | 0 | 0 | 0 | 117.8 | ||
| 1117 | A | 33 | Very low | 50 | Low | 81 Ų | 81 | 122.4 Ų | 122.4 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -149.4 | 156 | 141.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | N1119 | A1117-N1119 PolarHBondContact O-N 3.01Š|
| 1118 | D | 34.8 | Very low | 52.6 | Low | 143 Ų | 143 | 114.7 Ų | 114.7 | 77% | 0.765 | 64% | 0.64 | S | S | * | * | trans | 52.8 | 39.5 | 165.2 | -57.9 | -13 | 0 | 0 | 0 | 119.3 | F1120 | D1118-F1120 PolarHBondContact O-N 3.28Å; D1118-F1120 VanDerWaalsContact O-N 3.08Å | ||
| 1119 | N | 33.8 | Very low | 55.2 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 70% | 0.701 | 64% | 0.635 | S | S | * | * | trans | -67.2 | 102.6 | 162.6 | -85.7 | 23.7 | 0 | 0 | 0 | 111 | A1117 | A1117-N1119 PolarHBondContact O-N 3.01Š| ||
| 1120 | F | 45.6 | Very low | 58 | Low | 121 Ų | 121 | 112.2 Ų | 112.2 | 53% | 0.531 | 62% | 0.619 | S | S | . | * | trans | -107.1 | 92.1 | 162 | -103.2 | -94 | 0 | 0 | 0 | 112.1 | W1100 D1118 | W1100-F1120 AromaticContact CD2-CD1 3.84Å; W1100-F1120 HydrophobicContact CD2-CD1 3.84Å; W1100-F1120 AromaticContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CE1 3.91Å; W1100-F1120 HydrophobicContact CD2-CG 4.28Å; W1100-F1120 HydrophobicContact CD2-CZ 4.43Å; W1100-F1120 AromaticContact CE2-CD1 3.65Å; W1100-F1120 AromaticContact CE2-CD2 3.76Å; W1100-F1120 AromaticContact CE2-CE1 3.78Å; W1100-F1120 AromaticContact CE2-CE2 3.9Å; W1100-F1120 AromaticContact CE2-CG 3.65Å; W1100-F1120 AromaticContact CE2-CZ 3.92Å; W1100-F1120 HydrophobicContact CE3-CD1 4.16Å; W1100-F1120 AromaticContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CE1 3.78Å; W1100-F1120 HydrophobicContact CE3-CZ 4.27Å; W1100-F1120 HydrophobicContact CG-CD1 4.45Å; W1100-F1120 HydrophobicContact CH2-CD1 4.26Å; W1100-F1120 HydrophobicContact CH2-CD2 4.24Å; W1100-F1120 AromaticContact CH2-CE1 3.52Å; W1100-F1120 HydrophobicContact CH2-CE1 3.52Å; W1100-F1120 AromaticContact CH2-CE2 3.52Å; W1100-F1120 HydrophobicContact CH2-CE2 3.52Å; W1100-F1120 AromaticContact CH2-CZ 3.11Å; W1100-F1120 HydrophobicContact CH2-CZ 3.11Å; W1100-F1120 AromaticContact CZ2-CD1 3.91Å; W1100-F1120 HydrophobicContact CZ2-CD1 3.91Å; W1100-F1120 AromaticContact CZ2-CD2 3.49Å; W1100-F1120 HydrophobicContact CZ2-CD2 3.49Å; W1100-F1120 VanDerWaalsContact CZ2-CD2 3.49Å; W1100-F1120 AromaticContact CZ2-CE1 3.62Å; W1100-F1120 HydrophobicContact CZ2-CE1 3.62Å; W1100-F1120 AromaticContact CZ2-CE2 3.2Å; W1100-F1120 HydrophobicContact CZ2-CE2 3.2Å; W1100-F1120 AromaticContact CZ2-CG 3.86Å; W1100-F1120 HydrophobicContact CZ2-CG 3.86Å; W1100-F1120 AromaticContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ2-CZ 3.28Å; W1100-F1120 HydrophobicContact CZ3-CD1 4.35Å; W1100-F1120 AromaticContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE1 3.58Å; W1100-F1120 HydrophobicContact CZ3-CE2 4.42Å; W1100-F1120 AromaticContact CZ3-CZ 3.64Å; W1100-F1120 HydrophobicContact CZ3-CZ 3.64Å; W1100-F1120 AromaticContact NE1-CD2 3.95Å; W1100-F1120 AromaticContact NE1-CG 3.68Å; D1118-F1120 PolarHBondContact O-N 3.28Å; D1118-F1120 VanDerWaalsContact O-N 3.08Å | ||
| 1121 | E | 52.9 | Low | 60.9 | Low | 156 Ų | 156 | 113.1 Ų | 113.1 | 73% | 0.729 | 61% | 0.609 | S | S | * | * | trans | -62.1 | 121.8 | 173.6 | -64 | 177.9 | 177 | 0 | 0 | 109.5 | R1123 | E1121-R1123 PolarHBondContact O-N 2.98Š| ||
| 1122 | P | 69.5 | Low | 63.8 | Low | 63 Ų | 63 | 112 Ų | 112 | 41% | 0.409 | 59% | 0.586 | S | S | . | * | trans | -66 | 132 | 178.6 | 30.3 | -35.6 | 0 | 0 | 0 | 109 | E1097 C1099 | E1097-P1122 HydrophobicContact CG-CB 3.92Å; C1099-P1122 HydrophobicContact CB-CB 4.18Å | ||
| 1123 | R | 80 | Confident | 66.6 | Low | 189 Ų | 189 | 108 Ų | 108 | 71% | 0.713 | 55% | 0.553 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -113.9 | 128.7 | -164.2 | -171.8 | 172.8 | 179.6 | 173 | 2 | 111.4 | E1097 L1098 E1121 V1125 | E1097-R1123 WeakPolarHBondContact CA-O 3.5Å; L1098-R1123 PolarHBondContact N-O 2.71Å; L1098-R1123 PolarHBondContact O-N 3.14Å; E1121-R1123 PolarHBondContact O-N 2.98Å; R1123-V1125 PolarHBondContact O-N 2.74Å |
| 1124 | V | 87.3 | Confident | 69.7 | Low | 63 Ų | 63 | 101.3 Ų | 101.3 | 38% | 0.382 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 114.8 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 108.6 | E1095 V1096 Y1126 | E1095-V1124 HydrophobicContact CB-CG1 4.44Å; E1095-V1124 HydrophobicContact CG-CG1 4.48Å; V1096-V1124 CarbonylContact O-C 3.48Å; V1096-V1124 WeakPolarHBondContact O-CA 3.48Å; V1124-Y1126 WeakPolarHBondContact CG1-O 3.49Å |
| 1125 | V | 89.9 | Confident | 72.2 | Confident | 58 Ų | 58 | 93.4 Ų | 93.4 | 35% | 0.352 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | -14.8 | -177.8 | -70.4 | 0 | 0 | 0 | 0 | 113.1 | V1096 L1098 R1123 I1135 | V1096-V1125 HydrophobicContact CB-CG2 4.3Å; V1096-V1125 HydrophobicContact CG1-CG2 4.03Å; V1096-V1125 WeakPolarHBondContact O-CG2 3.12Å; V1096-V1125 PolarHBondContact O-N 3.49Å; L1098-V1125 HydrophobicContact CB-CG1 3.84Å; L1098-V1125 HydrophobicContact CB-CG2 3.84Å; L1098-V1125 HydrophobicContact CD2-CG1 4.18Å; R1123-V1125 PolarHBondContact O-N 2.74Å; V1125-I1135 HydrophobicContact CG2-CD1 3.75Å; V1125-I1135 HydrophobicContact CG2-CG1 4.03Å |
| 1126 | Y | 92.9 | Very high | 74.9 | Confident | 52 Ų | 52 | 92 Ų | 92 | 20% | 0.204 | 48% | 0.478 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 137.3 | 170.1 | 176.4 | -95.8 | 0 | 0 | 0 | 109.9 | W1080 E1095 V1096 V1124 G1128 K1130 C1133 | W1080-Y1126 HydrophobicContact CH2-CD1 4.18Å; W1080-Y1126 HydrophobicContact CH2-CE1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CD1 4.37Å; W1080-Y1126 HydrophobicContact CZ2-CE1 4.28Å; E1095-Y1126 WeakPolarHBondContact CA-O 3.45Å; V1096-Y1126 HydrophobicContact CG2-CD1 3.94Å; V1096-Y1126 HydrophobicContact CG2-CG 4.38Å; V1096-Y1126 PolarHBondContact N-O 2.97Å; V1096-Y1126 PolarHBondContact O-N 3.25Å; V1124-Y1126 WeakPolarHBondContact CG1-O 3.49Å; Y1126-G1128 WeakPolarHBondContact CE1-O 3.12Å; Y1126-G1128 VanDerWaalsContact OH-C 3.31Å; Y1126-G1128 WeakPolarHBondContact OH-CA 3.41Å; Y1126-K1130 WeakPolarHBondContact OH-CB 3.35Å; Y1126-K1130 PolarHBondContact OH-N 2.85Å; Y1126-C1133 HydrophobicContact CD1-CB 4.2Å; Y1126-C1133 HydrophobicContact CD2-CB 3.66Å; Y1126-C1133 HydrophobicContact CE2-CB 4.17Å; Y1126-C1133 HydrophobicContact CG-CB 3.69Å |
| 1127 | Q | 92.9 | Very high | 77.5 | Confident | 120 Ų | 120 | 93.4 Ų | 93.4 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 127.9 | 162.2 | -175.3 | 178.2 | -3.6 | 0 | 0 | 108.2 | D1093 Y1094 E1095 | D1093-Q1127 HydrophobicContact CB-CG 4.39Å; D1093-Q1127 WeakPolarHBondContact OD2-CG 3.45Å; D1093-Q1127 PolarHBondContact OD2-NE2 2.74Å; Y1094-Q1127 VanDerWaalsContact O-CA 3.31Å; Y1094-Q1127 WeakPolarHBondContact O-CA 3.36Å; E1095-Q1127 HydrophobicContact CG-CG 4.17Å |
| 1128 | G | 91.3 | Very high | 80.1 | Confident | 8 Ų | 8 | 90.1 Ų | 90.1 | 8% | 0.082 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 163.1 | 174.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1094 Y1126 K1130 | Y1094-G1128 PolarHBondContact N-O 2.86Å; Y1094-G1128 PolarHBondContact O-N 2.93Å; Y1126-G1128 WeakPolarHBondContact CE1-O 3.12Å; Y1126-G1128 VanDerWaalsContact OH-C 3.31Å; Y1126-G1128 WeakPolarHBondContact OH-CA 3.41Å; G1128-K1130 VanDerWaalsContact C-N 3.32Å; G1128-K1130 PolarHBondContact O-N 3.34Å |
| 1129 | P | 92.1 | Very high | 82.3 | Confident | 101 Ų | 101 | 87 Ų | 87 | 66% | 0.656 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -79.9 | -3.3 | -170.2 | 31.3 | -37.2 | 0 | 0 | 0 | 115.1 | ||
| 1130 | K | 91.7 | Very high | 84.7 | Confident | 140 Ų | 140 | 81.5 Ų | 81.5 | 61% | 0.609 | 41% | 0.405 | S | S | * | . | trans | -83.2 | 142 | -179.8 | -59.7 | -172.6 | 178 | -174.7 | 0 | 110.4 | W1080 Y1126 G1128 E1132 | W1080-K1130 WeakPolarHBondContact CZ2-O 3.42Å; Y1126-K1130 WeakPolarHBondContact OH-CB 3.35Å; Y1126-K1130 PolarHBondContact OH-N 2.85Å; G1128-K1130 VanDerWaalsContact C-N 3.32Å; G1128-K1130 PolarHBondContact O-N 3.34Å; K1130-E1132 PolarHBondContact O-N 3.13Å | ||
| 1131 | M | 93.3 | Very high | 86.3 | Confident | 79 Ų | 79 | 75.8 Ų | 75.8 | 39% | 0.389 | 38% | 0.38 | S | S | . | . | S | Bend | trans | -83.6 | 18.8 | 174.2 | -64.4 | 178.2 | -77.1 | 0 | 0 | 113.4 | K1079 W1080 Q1082 Y1094 | K1079-M1131 WeakPolarHBondContact CA-O 3.22Å; W1080-M1131 PolarHBondContact N-O 3.37Å; Q1082-M1131 HydrophobicContact CB-SD 4.16Å; Q1082-M1131 PolarHBondContact N-SD 3.28Å; Y1094-M1131 HydrophobicContact CD2-CG 4.37Å; Y1094-M1131 HydrophobicContact CE2-CG 3.59Å |
| 1132 | E | 94.4 | Very high | 87.8 | Confident | 78 Ų | 78 | 74 Ų | 74 | 36% | 0.364 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 142.8 | 178 | 58.2 | -173.5 | -143.9 | 0 | 0 | 111.2 | V1078 K1079 K1130 | V1078-E1132 CarbonylContact O-C 3.58Å; V1078-E1132 VanDerWaalsContact O-CA 3.24Å; V1078-E1132 WeakPolarHBondContact O-CA 3.48Å; K1079-E1132 HydrophobicContact CB-CB 4.08Å; K1079-E1132 HydrophobicContact CD-CB 4.5Å; K1079-E1132 HydrophobicContact CG-CB 4.14Å; K1079-E1132 IonicContact NZ-OE2 3.68Å; K1079-E1132 PolarHBondContact NZ-OE2 2.88Å; K1130-E1132 PolarHBondContact O-N 3.13Å |
| 1133 | C | 92.7 | Very high | 88.6 | Confident | 8 Ų | 8 | 72.3 Ų | 72.3 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.1 | 151.3 | 176.1 | 71.8 | 0 | 0 | 0 | 0 | 112.8 | H1077 V1078 W1080 Y1126 | H1077-C1133 PolarHBondContact CD2-O 2.99Å; V1078-C1133 PolarHBondContact N-O 2.6Å; V1078-C1133 PolarHBondContact O-N 2.96Å; W1080-C1133 HydrophobicContact CH2-CB 4.08Å; W1080-C1133 HydrophobicContact CZ3-CB 4.47Å; Y1126-C1133 HydrophobicContact CD1-CB 4.2Å; Y1126-C1133 HydrophobicContact CD2-CB 3.66Å; Y1126-C1133 HydrophobicContact CE2-CB 4.17Å; Y1126-C1133 HydrophobicContact CG-CB 3.69Å |
| 1134 | N | 93.4 | Very high | 89 | Confident | 98 Ų | 98 | 63.9 Ų | 63.9 | 52% | 0.524 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 104.1 | 174 | -80.5 | -85.5 | 0 | 0 | 0 | 109.3 | H1077 | H1077-N1134 WeakPolarHBondContact CB-OD1 3.4Å; H1077-N1134 PolarHBondContact CD2-ND2 3Å; H1077-N1134 PolarHBondContact CD2-OD1 3.1Å; H1077-N1134 VanDerWaalsContact CD2-OD1 3.27Å; H1077-N1134 PolarHBondContact NE2-ND2 3.12Å |
| 1135 | I | 91.6 | Very high | 89.2 | Confident | 11 Ų | 11 | 65.6 Ų | 65.6 | 6% | 0.056 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.4 | 128.9 | 176.8 | -59.3 | 163.4 | 0 | 0 | 0 | 107.8 | G1075 V1076 V1078 V1096 L1098 V1125 L1138 L1146 | G1075-I1135 CarbonylContact C-O 3.53Å; G1075-I1135 WeakPolarHBondContact CA-O 3.3Å; V1076-I1135 HydrophobicContact CG1-CB 3.99Å; V1076-I1135 HydrophobicContact CG1-CD1 4.18Å; V1076-I1135 PolarHBondContact N-O 3.06Å; V1076-I1135 PolarHBondContact O-N 3.43Å; V1078-I1135 HydrophobicContact CG2-CD1 4.45Å; V1096-I1135 HydrophobicContact CG1-CD1 4.3Å; L1098-I1135 HydrophobicContact CD2-CG2 4.27Å; V1125-I1135 HydrophobicContact CG2-CD1 3.75Å; V1125-I1135 HydrophobicContact CG2-CG1 4.03Å; I1135-L1138 HydrophobicContact CG2-CD1 4.38Å; I1135-L1138 HydrophobicContact CG2-CD2 3.8Å; I1135-L1138 HydrophobicContact CG2-CG 4.19Å; I1135-L1146 HydrophobicContact CD1-CD1 3.38Å |
| 1136 | Q | 89.3 | Confident | 89.3 | Confident | 93 Ų | 93 | 62.9 Ų | 62.9 | 44% | 0.435 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 177.3 | -179.5 | -55.2 | -62.4 | -78 | 0 | 0 | 110.1 | T1074 L1138 | T1074-Q1136 CarbonylContact O-C 3.5Å; T1074-Q1136 WeakPolarHBondContact O-CA 3.42Å; Q1136-L1138 VanDerWaalsContact C-N 3.27Å; Q1136-L1138 PolarHBondContact O-N 3.25Å |
| 1137 | L | 84.5 | Confident | 89.3 | Confident | 168 Ų | 168 | 64.7 Ų | 64.7 | 88% | 0.88 | 31% | 0.314 | S | S | * | . | trans | 61.4 | 30 | -178.7 | -52.5 | 176.9 | 0 | 0 | 0 | 114.1 | T1074 | T1074-L1137 PolarHBondContact O-N 2.69Š| ||
| 1138 | L | 87.5 | Confident | 89.3 | Confident | 12 Ų | 12 | 59 Ų | 59 | 6% | 0.063 | 29% | 0.287 | C | S | . | . | P | Polyproline II helix | trans | -75.8 | 153.3 | 169.9 | -56.9 | -173.5 | 0 | 0 | 0 | 111.2 | T1074 V1076 L1098 I1135 Q1136 Y1144 F1165 T1167 | T1074-L1138 WeakPolarHBondContact CA-O 3.38Å; T1074-L1138 PolarHBondContact O-N 3.25Å; V1076-L1138 HydrophobicContact CG1-CD1 4.03Å; L1098-L1138 HydrophobicContact CD2-CD2 3.53Å; I1135-L1138 HydrophobicContact CG2-CD1 4.38Å; I1135-L1138 HydrophobicContact CG2-CD2 3.8Å; I1135-L1138 HydrophobicContact CG2-CG 4.19Å; Q1136-L1138 VanDerWaalsContact C-N 3.27Å; Q1136-L1138 PolarHBondContact O-N 3.25Å; L1138-Y1144 HydrophobicContact CB-CE2 4.05Å; L1138-Y1144 HydrophobicContact CD1-CD2 4.44Å; L1138-Y1144 HydrophobicContact CD1-CE2 4.35Å; L1138-Y1144 HydrophobicContact CD2-CE1 4.11Å; L1138-F1165 HydrophobicContact CD1-CE2 3.97Å; L1138-F1165 HydrophobicContact CD1-CZ 3.96Å; L1138-T1167 HydrophobicContact CB-CG2 3.74Å; L1138-T1167 HydrophobicContact CD1-CG2 3.69Å; L1138-T1167 HydrophobicContact CG-CG2 4.38Å |
| 1139 | L | 82.7 | Confident | 89.5 | Confident | 79 Ų | 79 | 60.5 Ų | 60.5 | 41% | 0.414 | 29% | 0.29 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 133.7 | 172.4 | -61.5 | 178.2 | 0 | 0 | 0 | 109.6 | W1100 R1142 Y1144 T1167 | W1100-L1139 HydrophobicContact CE3-CD1 4.24Å; W1100-L1139 HydrophobicContact CZ3-CD1 3.84Å; L1139-R1142 HydrophobicContact CB-CB 4.32Å; L1139-R1142 HydrophobicContact CB-CG 3.81Å; L1139-R1142 HydrophobicContact CD1-CG 4.46Å; L1139-Y1144 WeakPolarHBondContact CB-OH 3.45Å; L1139-Y1144 PolarHBondContact N-OH 3.15Å; L1139-T1167 PolarHBondContact O-OG1 2.88Å |
| 1140 | P | 83.6 | Confident | 89.6 | Confident | 15 Ų | 15 | 55.7 Ų | 55.7 | 10% | 0.097 | 26% | 0.259 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | 143 | 178.9 | -24.4 | 35.4 | 0 | 0 | 0 | 114.3 | A1073 T1074 R1142 S1170 N1199 | A1073-P1140 HydrophobicContact CB-CB 4.09Å; A1073-P1140 HydrophobicContact CB-CG 4.19Å; A1073-P1140 VanDerWaalsContact O-CA 3.31Å; A1073-P1140 WeakPolarHBondContact O-CA 3.44Å; T1074-P1140 HydrophobicContact CG2-CG 4.27Å; P1140-R1142 PolarHBondContact O-N 3.37Å; P1140-R1142 VanDerWaalsContact O-N 3.13Å; P1140-S1170 VanDerWaalsContact CB-CB 3.43Å; P1140-N1199 CarbonylContact C-O 3.6Å; P1140-N1199 HydrophobicContact CB-CB 3.94Å; P1140-N1199 HydrophobicContact CG-CB 4.46Å; P1140-N1199 CarbonylContact O-C 3.56Å |
| 1141 | G | 79.7 | Confident | 89.6 | Confident | 1 Ų | 1 | 49.6 Ų | 49.6 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61 | 16.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | R1166 T1167 A1168 | G1141-R1166 VanDerWaalsContact O-CZ 3.24Å; G1141-R1166 PolarHBondContact O-NE 2.72Å; G1141-R1166 PolarHBondContact O-NH2 2.83Å; G1141-T1167 WeakPolarHBondContact CA-O 3.41Å; G1141-T1167 PolarHBondContact N-OG1 3.42Å; G1141-A1168 PolarHBondContact N-O 2.83Å |
| 1142 | R | 83.5 | Confident | 89.5 | Confident | 119 Ų | 119 | 46 Ų | 46 | 45% | 0.449 | 22% | 0.216 | S | C | . | . | trans | -94.5 | 150.3 | 176.4 | -75.1 | -63.4 | -167 | 177 | 5.7 | 111.8 | D1103 L1139 P1140 Y1144 R1166 T1167 | D1103-R1142 WeakPolarHBondContact OD2-CD 3.21Å; D1103-R1142 IonicContact OD2-CZ 2.72Å; D1103-R1142 IonicContact OD2-NH1 2.78Å; D1103-R1142 PolarHBondContact OD2-NH1 2.88Å; L1139-R1142 HydrophobicContact CB-CB 4.32Å; L1139-R1142 HydrophobicContact CB-CG 3.81Å; L1139-R1142 HydrophobicContact CD1-CG 4.46Å; P1140-R1142 PolarHBondContact O-N 3.37Å; P1140-R1142 VanDerWaalsContact O-N 3.13Å; R1142-Y1144 HydrophobicContact CB-CD2 4.42Å; R1142-Y1144 HydrophobicContact CB-CE2 3.78Å; R1142-Y1144 WeakPolarHBondContact O-CD2 3.5Å; R1142-R1166 WeakPolarHBondContact O-CA 3.2Å; R1142-R1166 WeakPolarHBondContact O-CG 3.21Å; R1142-T1167 PolarHBondContact N-OG1 2.81Å; R1142-T1167 PolarHBondContact O-N 3.35Å; R1142-T1167 PolarHBondContact O-OG1 3.18Å | ||
| 1143 | S | 86.3 | Confident | 89.1 | Confident | 27 Ų | 27 | 48 Ų | 48 | 19% | 0.189 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 135.2 | 175.4 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | L1101 D1103 | L1101-S1143 PolarHBondContact N-O 2.91Å; D1103-S1143 WeakPolarHBondContact OD1-CB 3.33Å; D1103-S1143 PolarHBondContact OD1-OG 3.03Å |
| 1144 | Y | 88.8 | Confident | 88.7 | Confident | 12 Ų | 12 | 49.6 Ų | 49.6 | 5% | 0.047 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 144.4 | -176.8 | -76.3 | -79.6 | 0 | 0 | 0 | 111 | L1098 W1100 L1138 L1139 R1142 N1164 F1165 T1167 | L1098-Y1144 HydrophobicContact CD1-CD1 3.89Å; L1098-Y1144 HydrophobicContact CD1-CG 4.27Å; L1098-Y1144 HydrophobicContact CD2-CD1 3.99Å; L1098-Y1144 HydrophobicContact CD2-CE1 4.2Å; L1098-Y1144 HydrophobicContact CG-CD1 3.97Å; W1100-Y1144 HydrophobicContact CB-CD1 4.05Å; W1100-Y1144 HydrophobicContact CB-CE1 3.85Å; L1138-Y1144 HydrophobicContact CB-CE2 4.05Å; L1138-Y1144 HydrophobicContact CD1-CD2 4.44Å; L1138-Y1144 HydrophobicContact CD1-CE2 4.35Å; L1138-Y1144 HydrophobicContact CD2-CE1 4.11Å; L1139-Y1144 WeakPolarHBondContact CB-OH 3.45Å; L1139-Y1144 PolarHBondContact N-OH 3.15Å; R1142-Y1144 HydrophobicContact CB-CD2 4.42Å; R1142-Y1144 HydrophobicContact CB-CE2 3.78Å; R1142-Y1144 WeakPolarHBondContact O-CD2 3.5Å; Y1144-N1164 CarbonylContact O-C 3.48Å; Y1144-N1164 VanDerWaalsContact O-CA 3.31Å; Y1144-N1164 WeakPolarHBondContact O-CA 3.36Å; Y1144-F1165 HydrophobicContact CD2-CE2 4.2Å; Y1144-F1165 HydrophobicContact CD2-CZ 4.34Å; Y1144-F1165 HydrophobicContact CG-CE2 4.39Å; Y1144-F1165 HydrophobicContact CG-CZ 4.09Å; Y1144-F1165 PolarHBondContact N-O 3.28Å; Y1144-F1165 PolarHBondContact O-N 3.4Å; Y1144-T1167 HydrophobicContact CD2-CG2 3.94Å; Y1144-T1167 HydrophobicContact CE2-CG2 3.75Å |
| 1145 | R | 90.5 | Very high | 88.4 | Confident | 99 Ų | 99 | 46.1 Ų | 46.1 | 37% | 0.374 | 23% | 0.229 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 119.5 | 173.8 | 176.9 | 175.6 | -66.7 | 163.7 | 4.9 | 108.6 | C1099 L1101 P1162 N1164 | C1099-R1145 PolarHBondContact N-O 3.48Å; C1099-R1145 PolarHBondContact O-N 2.77Å; L1101-R1145 HydrophobicContact CD1-CB 4.19Å; L1101-R1145 HydrophobicContact CD2-CB 3.8Å; L1101-R1145 HydrophobicContact CG-CB 3.96Å; R1145-P1162 HydrophobicContact CG-CB 3.66Å; R1145-N1164 WeakPolarHBondContact CB-OD1 3.48Å; R1145-N1164 WeakPolarHBondContact CG-OD1 3.21Å; R1145-N1164 PolarHBondContact NE-OD1 3.3Å; R1145-N1164 VanDerWaalsContact NE-OD1 3.11Å |
| 1146 | L | 92.1 | Very high | 88.4 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 136.8 | -178.2 | 178.7 | 155 | 0 | 0 | 0 | 110.4 | P1065 V1078 V1096 E1097 L1098 I1135 V1148 P1162 L1163 F1165 | P1065-L1146 HydrophobicContact CB-CD2 4.27Å; P1065-L1146 HydrophobicContact CG-CD2 3.54Å; V1078-L1146 HydrophobicContact CG1-CD1 4.32Å; V1078-L1146 HydrophobicContact CG1-CD2 4.03Å; V1078-L1146 HydrophobicContact CG2-CD1 3.93Å; V1096-L1146 HydrophobicContact CG1-CD1 3.73Å; V1096-L1146 HydrophobicContact CG1-CD2 3.91Å; V1096-L1146 HydrophobicContact CG1-CG 3.7Å; E1097-L1146 WeakPolarHBondContact O-CA 3.44Å; L1098-L1146 HydrophobicContact CD1-CB 3.95Å; L1098-L1146 HydrophobicContact CD1-CD1 4.26Å; I1135-L1146 HydrophobicContact CD1-CD1 3.38Å; L1146-V1148 HydrophobicContact CD2-CG2 3.9Å; L1146-P1162 CarbonylContact O-C 3.27Å; L1146-P1162 WeakPolarHBondContact O-CA 3.4Å; L1146-L1163 PolarHBondContact N-O 3.4Å; L1146-L1163 PolarHBondContact O-N 3.5Å; L1146-F1165 HydrophobicContact CB-CE1 4.01Å; L1146-F1165 HydrophobicContact CD1-CE1 4.28Å |
| 1147 | R | 93.2 | Very high | 88.4 | Confident | 91 Ų | 91 | 46 Ų | 46 | 34% | 0.343 | 23% | 0.23 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.4 | 172.8 | 59.3 | -174.8 | -168.5 | 178.2 | -2.5 | 111.3 | E1097 W1159 S1160 | E1097-R1147 HydrophobicContact CB-CG 4.34Å; E1097-R1147 PolarHBondContact N-O 3.44Å; E1097-R1147 PolarHBondContact O-N 2.88Å; E1097-R1147 IonicContact OE1-NH2 3.16Å; E1097-R1147 IonicContact OE2-CZ 2.68Å; E1097-R1147 IonicContact OE2-NE 3.6Å; E1097-R1147 PolarHBondContact OE2-NE 3.19Å; E1097-R1147 IonicContact OE2-NH2 3.82Å; E1097-R1147 PolarHBondContact OE2-NH2 2.93Å; R1147-W1159 HydrophobicContact CB-CB 4.35Å; R1147-W1159 HydrophobicContact CB-CE3 4.22Å; R1147-W1159 HydrophobicContact CG-CB 4.24Å; R1147-W1159 HydrophobicContact CG-CD2 3.9Å; R1147-W1159 HydrophobicContact CG-CE3 3.66Å; R1147-W1159 HydrophobicContact CG-CG 4.18Å; R1147-W1159 HydrophobicContact CG-CZ3 4.3Å; R1147-S1160 WeakPolarHBondContact CA-OG 3.05Å |
| 1148 | V | 93.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 137 | -176.2 | -172.8 | 0 | 0 | 0 | 0 | 109.8 | V1062 P1065 W1080 Y1094 E1095 V1096 L1146 S1160 | V1062-V1148 HydrophobicContact CB-CB 4.47Å; V1062-V1148 HydrophobicContact CG1-CB 4.33Å; V1062-V1148 HydrophobicContact CG1-CG1 4.36Å; V1062-V1148 HydrophobicContact CG2-CG1 4.33Å; P1065-V1148 HydrophobicContact CB-CG2 4.01Å; P1065-V1148 HydrophobicContact CG-CG2 3.98Å; W1080-V1148 HydrophobicContact CD2-CG1 3.94Å; W1080-V1148 HydrophobicContact CD2-CG2 4.23Å; W1080-V1148 HydrophobicContact CE3-CG2 4.11Å; W1080-V1148 HydrophobicContact CG-CG1 4.14Å; W1080-V1148 HydrophobicContact CZ2-CG1 4.25Å; Y1094-V1148 HydrophobicContact CD1-CG1 4.3Å; E1095-V1148 WeakPolarHBondContact O-CA 3.39Å; V1096-V1148 HydrophobicContact CG1-CG2 4.22Å; V1096-V1148 HydrophobicContact CG2-CG1 4.22Å; V1096-V1148 HydrophobicContact CG2-CG2 4.02Å; L1146-V1148 HydrophobicContact CD2-CG2 3.9Å; V1148-S1160 PolarHBondContact N-OG 3.24Å; V1148-S1160 WeakPolarHBondContact O-CB 3.12Å; V1148-S1160 PolarHBondContact O-N 2.99Å |
| 1149 | R | 94 | Very high | 89 | Confident | 39 Ų | 39 | 42.5 Ų | 42.5 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 155.1 | 166.9 | 65.5 | -176.5 | 170.2 | 179.3 | -5.3 | 110.9 | Y1094 E1095 Q1156 G1157 A1158 W1159 | Y1094-R1149 CarbonylContact C-O 3.47Å; Y1094-R1149 VanDerWaalsContact CA-O 3.26Å; Y1094-R1149 WeakPolarHBondContact CA-O 3.48Å; E1095-R1149 HydrophobicContact CB-CG 3.96Å; E1095-R1149 PolarHBondContact N-O 3.25Å; E1095-R1149 PolarHBondContact O-N 2.92Å; E1095-R1149 IonicContact OE1-NE 3.98Å; E1095-R1149 IonicContact OE1-NH2 2.74Å; E1095-R1149 IonicContact OE2-CZ 3.27Å; E1095-R1149 IonicContact OE2-NE 2.69Å; E1095-R1149 PolarHBondContact OE2-NE 3.07Å; E1095-R1149 IonicContact OE2-NH2 2.94Å; E1095-R1149 PolarHBondContact OE2-NH2 3.4Å; R1149-Q1156 VanDerWaalsContact CZ-OE1 3.25Å; R1149-Q1156 VanDerWaalsContact NH2-NE2 3.12Å; R1149-Q1156 VanDerWaalsContact NH2-OE1 3.1Å; R1149-G1157 WeakPolarHBondContact CD-O 3.18Å; R1149-A1158 WeakPolarHBondContact CB-O 3.47Å; R1149-W1159 HydrophobicContact CB-CD2 4.08Å; R1149-W1159 HydrophobicContact CB-CE3 3.72Å; R1149-W1159 HydrophobicContact CB-CZ3 4.1Å; R1149-W1159 HydrophobicContact CG-CD2 4.07Å; R1149-W1159 HydrophobicContact CG-CE3 3.68Å; R1149-W1159 HydrophobicContact CG-CH2 3.86Å; R1149-W1159 HydrophobicContact CG-CZ2 4.25Å; R1149-W1159 HydrophobicContact CG-CZ3 3.58Å |
| 1150 | A | 94.2 | Very high | 89.5 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 141.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | P1059 V1062 P1083 I1091 Y1094 G1157 | P1059-A1150 HydrophobicContact CB-CB 3.97Å; P1059-A1150 HydrophobicContact CG-CB 4.26Å; P1059-A1150 WeakPolarHBondContact CG-O 3.21Å; V1062-A1150 HydrophobicContact CG2-CB 4.08Å; P1083-A1150 HydrophobicContact CG-CB 3.65Å; I1091-A1150 HydrophobicContact CD1-CB 4.11Å; I1091-A1150 HydrophobicContact CG2-CB 3.94Å; Y1094-A1150 HydrophobicContact CD1-CB 3.75Å; Y1094-A1150 HydrophobicContact CE1-CB 3.64Å; A1150-G1157 VanDerWaalsContact O-CA 3.26Å; A1150-G1157 WeakPolarHBondContact O-CA 3.36Å; A1150-G1157 PolarHBondContact O-N 2.85Å |
| 1151 | N | 92.8 | Very high | 89.8 | Confident | 12 Ų | 12 | 45 Ų | 45 | 6% | 0.064 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.5 | 141.3 | 179.8 | -62.5 | -20.9 | 0 | 0 | 0 | 110.5 | I1091 K1092 D1093 E1095 G1155 Q1156 | I1091-N1151 CarbonylContact C-O 3.56Å; I1091-N1151 WeakPolarHBondContact CA-O 3.33Å; K1092-N1151 PolarHBondContact N-O 2.78Å; D1093-N1151 PolarHBondContact O-N 3.02Å; D1093-N1151 VanDerWaalsContact OD1-CB 3.26Å; D1093-N1151 WeakPolarHBondContact OD1-CB 3.34Å; D1093-N1151 PolarHBondContact OD1-ND2 2.88Å; E1095-N1151 PolarHBondContact OE1-ND2 3.38Å; N1151-G1155 WeakPolarHBondContact CA-O 3.28Å; N1151-Q1156 VanDerWaalsContact OD1-CA 3.31Å; N1151-Q1156 WeakPolarHBondContact OD1-CA 3.46Å; N1151-Q1156 WeakPolarHBondContact OD1-CG 3.23Å |
| 1152 | N | 90.4 | Very high | 90.2 | Very high | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | trans | -128.5 | -158.2 | 175.5 | 71.9 | 9.5 | 0 | 0 | 0 | 111.8 | V1057 P1059 T1086 A1089 E1090 I1091 K1092 A1154 G1155 | V1057-N1152 PolarHBondContact O-ND2 2.9Å; P1059-N1152 HydrophobicContact CG-CB 3.85Å; T1086-N1152 PolarHBondContact O-ND2 3.31Å; A1089-N1152 HydrophobicContact CB-CB 4.16Å; E1090-N1152 VanDerWaalsContact O-CB 3.32Å; E1090-N1152 WeakPolarHBondContact O-CB 3.06Å; I1091-N1152 HydrophobicContact CD1-CB 4.36Å; K1092-N1152 WeakPolarHBondContact CE-O 3.48Å; K1092-N1152 PolarHBondContact NZ-O 2.84Å; N1152-A1154 VanDerWaalsContact C-N 3.34Å; N1152-A1154 WeakPolarHBondContact OD1-CA 3.5Å; N1152-A1154 WeakPolarHBondContact OD1-CB 3.21Å; N1152-A1154 PolarHBondContact OD1-N 3.21Å; N1152-G1155 PolarHBondContact N-O 3.4Å; N1152-G1155 PolarHBondContact OD1-N 2.95Å | ||
| 1153 | I | 86.8 | Confident | 90.6 | Very high | 121 Ų | 121 | 42.8 Ų | 42.8 | 62% | 0.621 | 22% | 0.223 | S | C | * | . | S | Bend | trans | -70.1 | -27.1 | 176.3 | 69.7 | -176.7 | 0 | 0 | 0 | 113.8 | A1056 A1089 | A1056-I1153 HydrophobicContact CB-CD1 4.49Å; A1056-I1153 HydrophobicContact CB-CG1 4.31Å; A1089-I1153 HydrophobicContact CB-CD1 3.76Å; A1089-I1153 HydrophobicContact CB-CG1 3.6Å |
| 1154 | A | 84 | Confident | 90.9 | Very high | 42 Ų | 42 | 45.6 Ų | 45.6 | 35% | 0.347 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -84.1 | -27.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1056 H1058 N1152 | A1056-A1154 HydrophobicContact CB-CB 4.21Å; A1056-A1154 VanDerWaalsContact O-CB 3.26Å; A1056-A1154 WeakPolarHBondContact O-CB 3.49Å; H1058-A1154 PolarHBondContact CE1-O 2.87Å; H1058-A1154 PolarHBondContact ND1-O 2.86Å; N1152-A1154 VanDerWaalsContact C-N 3.34Å; N1152-A1154 WeakPolarHBondContact OD1-CA 3.5Å; N1152-A1154 WeakPolarHBondContact OD1-CB 3.21Å; N1152-A1154 PolarHBondContact OD1-N 3.21Å |
| 1155 | G | 86.8 | Confident | 90.9 | Very high | 24 Ų | 24 | 45.8 Ų | 45.8 | 25% | 0.247 | 24% | 0.237 | C | C | . | . | trans | 148.4 | -152.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | H1058 N1151 N1152 | H1058-G1155 WeakPolarHBondContact ND1-CA 2.95Å; H1058-G1155 PolarHBondContact ND1-N 3.45Å; N1151-G1155 WeakPolarHBondContact CA-O 3.28Å; N1152-G1155 PolarHBondContact N-O 3.4Å; N1152-G1155 PolarHBondContact OD1-N 2.95Å | ||
| 1156 | Q | 91.6 | Very high | 90.9 | Very high | 97 Ų | 97 | 47.5 Ų | 47.5 | 45% | 0.453 | 24% | 0.244 | S | C | . | . | B | Isolated β-bridge | trans | -83.6 | 126.5 | -176.3 | -67.7 | 172.5 | -23.3 | 0 | 0 | 111.6 | H1058 E1095 R1149 N1151 | H1058-Q1156 WeakPolarHBondContact CB-O 3.41Å; E1095-Q1156 PolarHBondContact OE1-NE2 2.98Å; R1149-Q1156 VanDerWaalsContact CZ-OE1 3.25Å; R1149-Q1156 VanDerWaalsContact NH2-NE2 3.12Å; R1149-Q1156 VanDerWaalsContact NH2-OE1 3.1Å; N1151-Q1156 VanDerWaalsContact OD1-CA 3.31Å; N1151-Q1156 WeakPolarHBondContact OD1-CA 3.46Å; N1151-Q1156 WeakPolarHBondContact OD1-CG 3.23Å |
| 1157 | G | 90.4 | Very high | 90.7 | Very high | 6 Ų | 6 | 47.7 Ų | 47.7 | 6% | 0.062 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -69.6 | 171.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1059 R1149 A1150 | P1059-G1157 VanDerWaalsContact O-CA 3.25Å; P1059-G1157 WeakPolarHBondContact O-CA 3.42Å; R1149-G1157 WeakPolarHBondContact CD-O 3.18Å; A1150-G1157 VanDerWaalsContact O-CA 3.26Å; A1150-G1157 WeakPolarHBondContact O-CA 3.36Å; A1150-G1157 PolarHBondContact O-N 2.85Å |
| 1158 | A | 90.1 | Very high | 90.3 | Very high | 52 Ų | 52 | 45 Ų | 45 | 43% | 0.43 | 24% | 0.242 | S | C | . | . | P | Polyproline II helix | trans | -62.1 | 143.1 | 168.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | P1059 P1061 R1149 | P1059-A1158 PolarHBondContact O-N 3.43Å; P1061-A1158 HydrophobicContact CB-CB 4.09Å; R1149-A1158 WeakPolarHBondContact CB-O 3.47Å |
| 1159 | W | 92.9 | Very high | 89.7 | Confident | 53 Ų | 53 | 46.6 Ų | 46.6 | 20% | 0.201 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -66.5 | 147.4 | 170.1 | -66.4 | 109 | 0 | 0 | 0 | 110.8 | E1095 E1097 R1147 R1149 | E1095-W1159 HydrophobicContact CB-CH2 4.18Å; E1095-W1159 HydrophobicContact CB-CZ3 4.37Å; E1097-W1159 HydrophobicContact CB-CE3 4.49Å; E1097-W1159 HydrophobicContact CB-CH2 3.46Å; E1097-W1159 VanDerWaalsContact CB-CH2 3.46Å; E1097-W1159 HydrophobicContact CB-CZ2 4.11Å; E1097-W1159 HydrophobicContact CB-CZ3 3.66Å; E1097-W1159 HydrophobicContact CG-CH2 4.34Å; E1097-W1159 WeakPolarHBondContact OE2-CZ2 3.44Å; R1147-W1159 HydrophobicContact CB-CB 4.35Å; R1147-W1159 HydrophobicContact CB-CE3 4.22Å; R1147-W1159 HydrophobicContact CG-CB 4.24Å; R1147-W1159 HydrophobicContact CG-CD2 3.9Å; R1147-W1159 HydrophobicContact CG-CE3 3.66Å; R1147-W1159 HydrophobicContact CG-CG 4.18Å; R1147-W1159 HydrophobicContact CG-CZ3 4.3Å; R1149-W1159 HydrophobicContact CB-CD2 4.08Å; R1149-W1159 HydrophobicContact CB-CE3 3.72Å; R1149-W1159 HydrophobicContact CB-CZ3 4.1Å; R1149-W1159 HydrophobicContact CG-CD2 4.07Å; R1149-W1159 HydrophobicContact CG-CE3 3.68Å; R1149-W1159 HydrophobicContact CG-CH2 3.86Å; R1149-W1159 HydrophobicContact CG-CZ2 4.25Å; R1149-W1159 HydrophobicContact CG-CZ3 3.58Å |
| 1160 | S | 93.7 | Very high | 89 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.042 | 26% | 0.26 | C | S | . | . | P | Polyproline II helix | trans | -60.4 | 159.3 | 167.2 | 72 | 0 | 0 | 0 | 0 | 111.5 | V1062 R1147 V1148 | V1062-S1160 VanDerWaalsContact O-CA 3.28Å; V1062-S1160 WeakPolarHBondContact O-CA 3.38Å; V1062-S1160 WeakPolarHBondContact O-CB 3.08Å; R1147-S1160 WeakPolarHBondContact CA-OG 3.05Å; V1148-S1160 PolarHBondContact N-OG 3.24Å; V1148-S1160 WeakPolarHBondContact O-CB 3.12Å; V1148-S1160 PolarHBondContact O-N 2.99Å |
| 1161 | E | 89.6 | Confident | 88.1 | Confident | 142 Ų | 142 | 47.8 Ų | 47.8 | 66% | 0.664 | 27% | 0.268 | S | S | * | . | P | Polyproline II helix | trans | -49.9 | 141 | 156.3 | -71.7 | -56.2 | 138.7 | 0 | 0 | 110.4 | V1064 L1163 | V1064-E1161 HydrophobicContact CB-CB 4.3Å; E1161-L1163 PolarHBondContact O-N 2.81Å |
| 1162 | P | 89.6 | Confident | 87.5 | Confident | 48 Ų | 48 | 47.3 Ų | 47.3 | 31% | 0.312 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 122.3 | -174.3 | 25.2 | -31.1 | 0 | 0 | 0 | 112.2 | R1145 L1146 N1164 | R1145-P1162 HydrophobicContact CG-CB 3.66Å; L1146-P1162 CarbonylContact O-C 3.27Å; L1146-P1162 WeakPolarHBondContact O-CA 3.4Å; P1162-N1164 PolarHBondContact O-N 3.14Å; P1162-N1164 VanDerWaalsContact O-N 3.15Å |
| 1163 | L | 91.9 | Very high | 87.1 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 13% | 0.126 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 99.9 | 160.8 | 174.7 | 68.9 | 0 | 0 | 0 | 108.4 | V1064 P1065 I1067 V1078 L1146 E1161 F1165 | V1064-L1163 HydrophobicContact CG2-CB 4.4Å; P1065-L1163 HydrophobicContact CG-CB 3.7Å; P1065-L1163 HydrophobicContact CG-CD2 4.2Å; I1067-L1163 HydrophobicContact CD1-CD2 4.45Å; I1067-L1163 HydrophobicContact CG1-CD1 4.47Å; I1067-L1163 HydrophobicContact CG1-CD2 3.89Å; V1078-L1163 HydrophobicContact CG1-CD2 4.38Å; L1146-L1163 PolarHBondContact N-O 3.4Å; L1146-L1163 PolarHBondContact O-N 3.5Å; E1161-L1163 PolarHBondContact O-N 2.81Å; L1163-F1165 HydrophobicContact CD2-CD1 4.34Å; L1163-F1165 HydrophobicContact CG-CD1 4.3Å |
| 1164 | N | 91.7 | Very high | 87.1 | Confident | 87 Ų | 87 | 46.7 Ų | 46.7 | 47% | 0.465 | 27% | 0.266 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 126.8 | 164.7 | -58.9 | -47.1 | 0 | 0 | 0 | 108.7 | Y1144 R1145 P1162 | Y1144-N1164 CarbonylContact O-C 3.48Å; Y1144-N1164 VanDerWaalsContact O-CA 3.31Å; Y1144-N1164 WeakPolarHBondContact O-CA 3.36Å; R1145-N1164 WeakPolarHBondContact CB-OD1 3.48Å; R1145-N1164 WeakPolarHBondContact CG-OD1 3.21Å; R1145-N1164 PolarHBondContact NE-OD1 3.3Å; R1145-N1164 VanDerWaalsContact NE-OD1 3.11Å; P1162-N1164 PolarHBondContact O-N 3.14Å; P1162-N1164 VanDerWaalsContact O-N 3.15Å |
| 1165 | F | 89.3 | Confident | 87.3 | Confident | 16 Ų | 16 | 44.8 Ų | 44.8 | 7% | 0.07 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.3 | 154.1 | 174.5 | 72.6 | -85.4 | 0 | 0 | 0 | 110.7 | I1067 V1071 V1076 L1098 L1138 Y1144 L1146 L1163 T1167 | I1067-F1165 HydrophobicContact CD1-CB 3.91Å; I1067-F1165 HydrophobicContact CD1-CG 4.45Å; V1071-F1165 HydrophobicContact CG1-CD2 4.11Å; V1071-F1165 HydrophobicContact CG1-CE2 4.36Å; V1076-F1165 HydrophobicContact CB-CE2 3.94Å; V1076-F1165 HydrophobicContact CB-CZ 4.19Å; V1076-F1165 HydrophobicContact CG1-CE1 4.32Å; V1076-F1165 HydrophobicContact CG1-CE2 3.87Å; V1076-F1165 HydrophobicContact CG1-CZ 3.59Å; V1076-F1165 HydrophobicContact CG2-CD2 4.41Å; V1076-F1165 HydrophobicContact CG2-CE2 4.21Å; L1098-F1165 HydrophobicContact CD1-CE1 4.07Å; L1098-F1165 HydrophobicContact CD1-CZ 4.19Å; L1138-F1165 HydrophobicContact CD1-CE2 3.97Å; L1138-F1165 HydrophobicContact CD1-CZ 3.96Å; Y1144-F1165 HydrophobicContact CD2-CE2 4.2Å; Y1144-F1165 HydrophobicContact CD2-CZ 4.34Å; Y1144-F1165 HydrophobicContact CG-CE2 4.39Å; Y1144-F1165 HydrophobicContact CG-CZ 4.09Å; Y1144-F1165 PolarHBondContact N-O 3.28Å; Y1144-F1165 PolarHBondContact O-N 3.4Å; L1146-F1165 HydrophobicContact CB-CE1 4.01Å; L1146-F1165 HydrophobicContact CD1-CE1 4.28Å; L1163-F1165 HydrophobicContact CD2-CD1 4.34Å; L1163-F1165 HydrophobicContact CG-CD1 4.3Å; F1165-T1167 HydrophobicContact CE2-CG2 4.27Å |
| 1166 | R | 89.3 | Confident | 87.3 | Confident | 135 Ų | 135 | 46.9 Ų | 46.9 | 51% | 0.509 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 134.3 | 173.4 | -161.3 | 177 | 178 | -156.5 | -5.5 | 109.4 | G1141 R1142 | G1141-R1166 VanDerWaalsContact O-CZ 3.24Å; G1141-R1166 PolarHBondContact O-NE 2.72Å; G1141-R1166 PolarHBondContact O-NH2 2.83Å; R1142-R1166 WeakPolarHBondContact O-CA 3.2Å; R1142-R1166 WeakPolarHBondContact O-CG 3.21Å |
| 1167 | T | 88 | Confident | 87.1 | Confident | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | P | Polyproline II helix | trans | -63.2 | 153.2 | 170 | 41.9 | 0 | 0 | 0 | 0 | 110.3 | A1073 L1138 L1139 G1141 R1142 Y1144 F1165 | A1073-T1167 WeakPolarHBondContact O-CB 3.32Å; L1138-T1167 HydrophobicContact CB-CG2 3.74Å; L1138-T1167 HydrophobicContact CD1-CG2 3.69Å; L1138-T1167 HydrophobicContact CG-CG2 4.38Å; L1139-T1167 PolarHBondContact O-OG1 2.88Å; G1141-T1167 WeakPolarHBondContact CA-O 3.41Å; G1141-T1167 PolarHBondContact N-OG1 3.42Å; R1142-T1167 PolarHBondContact N-OG1 2.81Å; R1142-T1167 PolarHBondContact O-N 3.35Å; R1142-T1167 PolarHBondContact O-OG1 3.18Å; Y1144-T1167 HydrophobicContact CD2-CG2 3.94Å; Y1144-T1167 HydrophobicContact CE2-CG2 3.75Å; F1165-T1167 HydrophobicContact CE2-CG2 4.27Å |
| 1168 | A | 84.7 | Confident | 87.2 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 29% | 0.289 | 26% | 0.26 | S | S | . | . | P | Polyproline II helix | trans | -61.5 | 147.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | K1072 A1073 G1141 | K1072-A1168 PolarHBondContact O-N 2.84Å; K1072-A1168 VanDerWaalsContact O-N 3.13Å; A1073-A1168 VanDerWaalsContact CA-O 3.27Å; A1073-A1168 WeakPolarHBondContact CA-O 3.5Å; G1141-A1168 PolarHBondContact N-O 2.83Å |
| 1169 | P | 81.3 | Confident | 87.4 | Confident | 34 Ų | 34 | 48.9 Ų | 48.9 | 22% | 0.221 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -60.5 | 160.2 | 170.4 | -24.3 | 35.5 | 0 | 0 | 0 | 112 | N1199 A1201 V1301 | P1169-N1199 WeakPolarHBondContact CA-O 3.3Å; P1169-A1201 HydrophobicContact CB-CB 4.12Å; P1169-V1301 HydrophobicContact CB-CG1 4.17Å; P1169-V1301 HydrophobicContact CB-CG2 4.14Å; P1169-V1301 VanDerWaalsContact O-CG1 3.3Å; P1169-V1301 WeakPolarHBondContact O-CG1 3.4Å |
| 1170 | S | 79.7 | Confident | 87.4 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 29% | 0.294 | 26% | 0.258 | S | S | . | . | trans | -120.4 | 168.8 | 164.1 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | P1140 N1199 A1201 V1301 | P1140-S1170 VanDerWaalsContact CB-CB 3.43Å; S1170-N1199 PolarHBondContact N-O 3.33Å; S1170-N1199 WeakPolarHBondContact O-CB 3.42Å; S1170-A1201 WeakPolarHBondContact O-CB 3.4Å; S1170-V1301 VanDerWaalsContact CA-CG1 3.48Å | ||
| 1171 | A | 76.3 | Confident | 87.3 | Confident | 22 Ų | 22 | 52.5 Ų | 52.5 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 139.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | N1199 | A1171-N1199 PolarHBondContact O-ND2 3.32Š|
| 1172 | P | 80.6 | Confident | 87.2 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.267 | C | S | . | . | P | Polyproline II helix | trans | -59.8 | 158.5 | 175.2 | -25.5 | 35.8 | 0 | 0 | 0 | 112.9 | P1195 A1201 V1294 S1304 | P1172-P1195 HydrophobicContact CB-CG 4.2Å; P1172-A1201 HydrophobicContact CG-CB 4.23Å; P1172-V1294 HydrophobicContact CB-CG2 4.46Å; P1172-V1294 HydrophobicContact CG-CG1 4.24Å; P1172-S1304 WeakPolarHBondContact O-CA 3.39Å; P1172-S1304 WeakPolarHBondContact O-CB 3.34Å |
| 1173 | D | 82.1 | Confident | 87.2 | Confident | 67 Ų | 67 | 47.5 Ų | 47.5 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 169.6 | 168.4 | -72.2 | 12.3 | 0 | 0 | 0 | 111.1 | P1195 I1197 N1199 S1304 | D1173-P1195 HydrophobicContact CB-CB 4.12Å; D1173-P1195 VanDerWaalsContact O-CB 3.22Å; D1173-P1195 WeakPolarHBondContact O-CB 3.31Å; D1173-I1197 PolarHBondContact N-O 2.95Å; D1173-I1197 VanDerWaalsContact N-O 3.09Å; D1173-N1199 PolarHBondContact OD1-ND2 3Å; D1173-S1304 WeakPolarHBondContact O-CB 3.39Å |
| 1174 | C | 85.7 | Confident | 87.1 | Confident | 44 Ų | 44 | 49.4 Ų | 49.4 | 30% | 0.297 | 28% | 0.277 | S | S | . | . | P | Polyproline II helix | trans | -70.5 | 144.2 | -179.6 | 61.2 | 0 | 0 | 0 | 0 | 112.3 | P1305 | C1174-P1305 HydrophobicContact CB-CB 4.29Å; C1174-P1305 WeakPolarHBondContact CB-O 3.32Å |
| 1175 | P | 87.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 46.1 Ų | 46.1 | 2% | 0.019 | 26% | 0.262 | C | S | . | . | P | Polyproline II helix | trans | -63.8 | 147.1 | 176 | -17.9 | 30.6 | 0 | 0 | 0 | 111.7 | Y1206 V1292 V1294 | P1175-Y1206 HydrophobicContact CB-CE1 4.25Å; P1175-Y1206 HydrophobicContact CG-CD1 3.96Å; P1175-Y1206 HydrophobicContact CG-CE1 3.95Å; P1175-V1292 HydrophobicContact CB-CG1 3.76Å; P1175-V1292 HydrophobicContact CG-CG1 3.92Å; P1175-V1292 HydrophobicContact CG-CG2 4.33Å; P1175-V1294 HydrophobicContact CG-CG2 4.11Å |
| 1176 | L | 86.7 | Confident | 86.9 | Confident | 67 Ų | 67 | 49.2 Ų | 49.2 | 35% | 0.351 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 162.1 | -168.4 | -61.6 | 177.5 | 0 | 0 | 0 | 112.2 | L1178 N1193 L1196 | L1176-L1178 VanDerWaalsContact C-N 3.3Å; L1176-L1178 PolarHBondContact O-N 2.82Å; L1176-N1193 HydrophobicContact CB-CB 4.46Å; L1176-N1193 PolarHBondContact N-O 2.93Å; L1176-N1193 PolarHBondContact O-N 2.87Å; L1176-L1196 HydrophobicContact CD1-CB 4.29Å; L1176-L1196 HydrophobicContact CD1-CD1 3.66Å; L1176-L1196 HydrophobicContact CD1-CG 3.58Å |
| 1177 | D | 88.3 | Confident | 87 | Confident | 90 Ų | 90 | 43.3 Ų | 43.3 | 48% | 0.481 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.8 | 44.3 | 168.3 | -172.2 | 30.6 | 0 | 0 | 0 | 113.4 | R1179 N1193 | D1177-R1179 WeakPolarHBondContact O-CG 3.44Å; D1177-R1179 PolarHBondContact O-N 2.91Å; D1177-R1179 VanDerWaalsContact O-N 3.11Å; D1177-R1179 PolarHBondContact O-NH1 2.94Å; D1177-R1179 IonicContact OD2-CZ 3.12Å; D1177-R1179 IonicContact OD2-NE 2.94Å; D1177-R1179 IonicContact OD2-NH1 2.71Å; D1177-R1179 PolarHBondContact OD2-NH1 2.87Å; D1177-R1179 IonicContact OD2-NH2 3.68Å; D1177-N1193 HydrophobicContact CB-CB 4.45Å; D1177-N1193 VanDerWaalsContact CB-ND2 3.31Å; D1177-N1193 WeakPolarHBondContact CB-ND2 3.48Å; D1177-N1193 PolarHBondContact OD2-ND2 2.96Å |
| 1178 | L | 92.5 | Very high | 87.2 | Confident | 24 Ų | 24 | 43.2 Ų | 43.2 | 13% | 0.126 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 110 | 174.9 | -178.1 | 67.2 | 0 | 0 | 0 | 109.2 | L1176 I1190 A1191 W1192 L1208 F1290 V1292 S1307 L1310 | L1176-L1178 VanDerWaalsContact C-N 3.3Å; L1176-L1178 PolarHBondContact O-N 2.82Å; L1178-I1190 HydrophobicContact CD1-CG2 3.44Å; L1178-I1190 VanDerWaalsContact CD1-CG2 3.44Å; L1178-I1190 HydrophobicContact CG-CG2 4.32Å; L1178-A1191 WeakPolarHBondContact CA-O 3.18Å; L1178-W1192 HydrophobicContact CD1-CB 4.07Å; L1178-W1192 HydrophobicContact CD1-CE3 3.94Å; L1178-L1208 HydrophobicContact CD1-CD1 4.21Å; L1178-F1290 HydrophobicContact CD2-CB 4.37Å; L1178-F1290 WeakPolarHBondContact CD2-O 3.1Å; L1178-V1292 HydrophobicContact CD1-CB 4.3Å; L1178-V1292 HydrophobicContact CD1-CG1 3.9Å; L1178-V1292 HydrophobicContact CD2-CG1 4.35Å; L1178-V1292 HydrophobicContact CG-CG1 4.48Å; L1178-S1307 VanDerWaalsContact CD2-OG 3.28Å; L1178-S1307 WeakPolarHBondContact CD2-OG 3.19Å; L1178-L1310 HydrophobicContact CD2-CB 3.71Å; L1178-L1310 HydrophobicContact CG-CB 3.82Å; L1178-L1310 HydrophobicContact CG-CD2 4.01Å |
| 1179 | R | 93.3 | Very high | 87.6 | Confident | 83 Ų | 83 | 44.3 Ų | 44.3 | 31% | 0.313 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.2 | 152.9 | -169.3 | 63.9 | -165.3 | 177.5 | -79.9 | 12.3 | 111.9 | D1177 I1181 I1190 A1191 N1193 L1310 | D1177-R1179 WeakPolarHBondContact O-CG 3.44Å; D1177-R1179 PolarHBondContact O-N 2.91Å; D1177-R1179 VanDerWaalsContact O-N 3.11Å; D1177-R1179 PolarHBondContact O-NH1 2.94Å; D1177-R1179 IonicContact OD2-CZ 3.12Å; D1177-R1179 IonicContact OD2-NE 2.94Å; D1177-R1179 IonicContact OD2-NH1 2.71Å; D1177-R1179 PolarHBondContact OD2-NH1 2.87Å; D1177-R1179 IonicContact OD2-NH2 3.68Å; R1179-I1181 HydrophobicContact CG-CG2 4.15Å; R1179-I1190 WeakPolarHBondContact O-CA 3.3Å; R1179-A1191 HydrophobicContact CG-CB 4.36Å; R1179-A1191 PolarHBondContact N-O 2.99Å; R1179-A1191 PolarHBondContact O-N 2.76Å; R1179-N1193 VanDerWaalsContact CZ-OD1 3.28Å; R1179-N1193 PolarHBondContact NH1-OD1 2.91Å; R1179-N1193 PolarHBondContact NH2-OD1 2.84Å; R1179-L1310 VanDerWaalsContact C-CD2 3.44Å |
| 1180 | C | 93.1 | Very high | 88.2 | Confident | 42 Ų | 42 | 42.7 Ų | 42.7 | 28% | 0.284 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.8 | 125.3 | 170.7 | -178.4 | 0 | 0 | 0 | 0 | 109.4 | A1182 H1189 I1190 L1310 C1312 | C1180-A1182 PolarHBondContact SG-O 3.43Å; C1180-H1189 CarbonylContact C-O 3.55Å; C1180-H1189 WeakPolarHBondContact CA-O 3.06Å; C1180-H1189 PolarHBondContact SG-O 3.01Å; C1180-I1190 HydrophobicContact CB-CD1 3.99Å; C1180-L1310 HydrophobicContact CB-CD2 4.22Å; C1180-C1312 WeakPolarHBondContact CB-SG 3.3Å |
| 1181 | I | 91.4 | Very high | 88.9 | Confident | 94 Ų | 94 | 41 Ų | 41 | 48% | 0.482 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | -14.9 | -176.3 | 58.2 | 172.1 | 0 | 0 | 0 | 113.3 | R1179 H1189 A1191 | R1179-I1181 HydrophobicContact CG-CG2 4.15Å; I1181-H1189 HydrophobicContact CG1-CB 3.93Å; I1181-H1189 PolarHBondContact N-O 3.5Å; I1181-A1191 HydrophobicContact CD1-CB 4.08Å; I1181-A1191 HydrophobicContact CG1-CB 4.43Å; I1181-A1191 HydrophobicContact CG2-CB 4.15Å |
| 1182 | A | 88.5 | Confident | 89.8 | Confident | 48 Ų | 48 | 40 Ų | 40 | 40% | 0.397 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -155.8 | 143.3 | 169.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | C1180 H1189 | C1180-A1182 PolarHBondContact SG-O 3.43Å; A1182-H1189 HydrophobicContact CB-CB 3.95Å; A1182-H1189 PolarHBondContact O-N 2.87Å |
| 1183 | S | 89.9 | Confident | 90.3 | Very high | 37 Ų | 37 | 42.7 Ų | 42.7 | 26% | 0.259 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 128.9 | 175.2 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | L1188 R1313 | S1183-L1188 VanDerWaalsContact CB-CD2 3.5Å; S1183-L1188 VanDerWaalsContact OG-CD2 3.26Å; S1183-L1188 WeakPolarHBondContact OG-CD2 3.22Å; S1183-R1313 PolarHBondContact OG-O 3.25Å |
| 1184 | T | 90.2 | Very high | 90.4 | Very high | 64 Ų | 64 | 42.3 Ų | 42.3 | 39% | 0.393 | 24% | 0.242 | S | C | . | . | trans | -118.6 | -177.8 | 171.7 | 78.9 | 0 | 0 | 0 | 0 | 109.6 | N1186 S1187 T1314 Q1315 | T1184-N1186 PolarHBondContact O-N 2.89Å; T1184-N1186 PolarHBondContact OG1-N 3.21Å; T1184-S1187 PolarHBondContact N-O 2.9Å; T1184-S1187 PolarHBondContact OG1-N 2.83Å; T1184-S1187 PolarHBondContact OG1-O 2.67Å; T1184-S1187 PolarHBondContact OG1-OG 2.79Å; T1184-T1314 WeakPolarHBondContact O-CA 3.24Å; T1184-T1314 WeakPolarHBondContact O-CB 3.39Å; T1184-Q1315 PolarHBondContact O-N 3.02Å | ||
| 1185 | A | 86.4 | Confident | 90.4 | Very high | 18 Ų | 18 | 40.5 Ų | 40.5 | 15% | 0.149 | 23% | 0.23 | C | C | . | . | S | Bend | trans | -68.4 | -23 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | L1283 P1284 Q1315 | A1185-L1283 CarbonylContact O-C 3.41Å; A1185-P1284 HydrophobicContact CB-CB 4.3Å; A1185-P1284 HydrophobicContact CB-CG 4.31Å; A1185-P1284 WeakPolarHBondContact O-CA 3.15Å; A1185-P1284 WeakPolarHBondContact O-CG 3.25Å; A1185-Q1315 WeakPolarHBondContact CA-O 3.12Å |
| 1186 | N | 89 | Confident | 89.9 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 43% | 0.428 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -132.8 | 4.5 | -172.9 | -63.7 | 100 | 0 | 0 | 0 | 114.2 | T1184 R1280 L1281 L1282 | T1184-N1186 PolarHBondContact O-N 2.89Å; T1184-N1186 PolarHBondContact OG1-N 3.21Å; N1186-R1280 CarbonylContact O-C 3.51Å; N1186-L1281 PolarHBondContact O-N 3.08Å; N1186-L1282 WeakPolarHBondContact CA-O 3.44Å; N1186-L1282 PolarHBondContact ND2-O 2.92Å; N1186-L1282 PolarHBondContact O-N 3Å |
| 1187 | S | 90.9 | Very high | 89.3 | Confident | 12 Ų | 12 | 48.9 Ų | 48.9 | 8% | 0.084 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148 | 151.3 | 173.5 | 68.2 | 0 | 0 | 0 | 0 | 113.9 | T1184 E1278 V1279 | T1184-S1187 PolarHBondContact N-O 2.9Å; T1184-S1187 PolarHBondContact OG1-N 2.83Å; T1184-S1187 PolarHBondContact OG1-O 2.67Å; T1184-S1187 PolarHBondContact OG1-OG 2.79Å; S1187-E1278 WeakPolarHBondContact CB-OE1 3.38Å; S1187-E1278 PolarHBondContact OG-OE1 2.79Å; S1187-V1279 CarbonylContact C-O 3.41Å; S1187-V1279 WeakPolarHBondContact CA-O 3.26Å; S1187-V1279 WeakPolarHBondContact CB-O 3.34Å |
| 1188 | L | 92.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 124.5 | 172.6 | -68.4 | 174.2 | 0 | 0 | 0 | 108.6 | S1183 I1190 V1279 L1282 Y1288 F1290 C1312 T1314 | S1183-L1188 VanDerWaalsContact CB-CD2 3.5Å; S1183-L1188 VanDerWaalsContact OG-CD2 3.26Å; S1183-L1188 WeakPolarHBondContact OG-CD2 3.22Å; L1188-I1190 HydrophobicContact CB-CD1 4.03Å; L1188-V1279 PolarHBondContact N-O 3.33Å; L1188-V1279 PolarHBondContact O-N 2.8Å; L1188-L1282 HydrophobicContact CB-CD1 3.83Å; L1188-L1282 HydrophobicContact CD1-CD1 3.7Å; L1188-L1282 HydrophobicContact CG-CD1 3.55Å; L1188-Y1288 HydrophobicContact CD1-CD2 4.26Å; L1188-F1290 HydrophobicContact CD1-CE2 3.6Å; L1188-F1290 HydrophobicContact CD1-CZ 3.91Å; L1188-C1312 HydrophobicContact CD1-CB 3.84Å; L1188-C1312 HydrophobicContact CD2-CB 4.45Å; L1188-T1314 HydrophobicContact CD1-CG2 4.32Å; L1188-T1314 HydrophobicContact CD2-CG2 4.31Å; L1188-T1314 HydrophobicContact CG-CG2 4.02Å |
| 1189 | H | 93.6 | Very high | 87.8 | Confident | 59 Ų | 59 | 48.2 Ų | 48.2 | 27% | 0.273 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 111 | 175.4 | -162.4 | 173 | 0 | 0 | 0 | 109.1 | C1180 I1181 A1182 H1277 E1278 | C1180-H1189 CarbonylContact C-O 3.55Å; C1180-H1189 WeakPolarHBondContact CA-O 3.06Å; C1180-H1189 PolarHBondContact SG-O 3.01Å; I1181-H1189 HydrophobicContact CG1-CB 3.93Å; I1181-H1189 PolarHBondContact N-O 3.5Å; A1182-H1189 HydrophobicContact CB-CB 3.95Å; A1182-H1189 PolarHBondContact O-N 2.87Å; H1189-H1277 PolarHBondContact CD2-O 2.96Å; H1189-E1278 HydrophobicContact CB-CG 4.33Å |
| 1190 | I | 94.7 | Very high | 86.7 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.6 | -176.1 | -49.4 | -58.1 | 0 | 0 | 0 | 109 | L1178 R1179 C1180 L1188 W1192 L1208 S1276 H1277 V1279 F1290 L1310 | L1178-I1190 HydrophobicContact CD1-CG2 3.44Å; L1178-I1190 VanDerWaalsContact CD1-CG2 3.44Å; L1178-I1190 HydrophobicContact CG-CG2 4.32Å; R1179-I1190 WeakPolarHBondContact O-CA 3.3Å; C1180-I1190 HydrophobicContact CB-CD1 3.99Å; L1188-I1190 HydrophobicContact CB-CD1 4.03Å; I1190-W1192 HydrophobicContact CG2-CE3 4.31Å; I1190-W1192 HydrophobicContact CG2-CZ3 4.36Å; I1190-L1208 HydrophobicContact CB-CD2 4.07Å; I1190-L1208 HydrophobicContact CG1-CD2 4.36Å; I1190-L1208 HydrophobicContact CG2-CD1 4Å; I1190-L1208 HydrophobicContact CG2-CD2 4.32Å; I1190-S1276 CarbonylContact O-C 3.55Å; I1190-S1276 WeakPolarHBondContact O-CA 3.12Å; I1190-H1277 PolarHBondContact N-O 2.99Å; I1190-H1277 PolarHBondContact O-N 2.91Å; I1190-V1279 HydrophobicContact CG1-CG2 4.3Å; I1190-F1290 HydrophobicContact CD1-CD2 3.93Å; I1190-F1290 HydrophobicContact CD1-CE2 4.01Å; I1190-F1290 HydrophobicContact CD1-CG 4.29Å; I1190-F1290 HydrophobicContact CD1-CZ 4.43Å; I1190-F1290 HydrophobicContact CG1-CD1 4.24Å; I1190-F1290 HydrophobicContact CG1-CD2 4.34Å; I1190-F1290 HydrophobicContact CG1-CE1 4.34Å; I1190-F1290 HydrophobicContact CG1-CE2 4.44Å; I1190-F1290 HydrophobicContact CG1-CG 4.24Å; I1190-F1290 HydrophobicContact CG1-CZ 4.43Å; I1190-L1310 HydrophobicContact CD1-CD2 4Å; I1190-L1310 HydrophobicContact CG2-CD2 4.03Å |
| 1191 | A | 93.8 | Very high | 85.7 | Confident | 6 Ų | 6 | 43 Ų | 43 | 5% | 0.05 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 154.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | L1178 R1179 I1181 L1275 | L1178-A1191 WeakPolarHBondContact CA-O 3.18Å; R1179-A1191 HydrophobicContact CG-CB 4.36Å; R1179-A1191 PolarHBondContact N-O 2.99Å; R1179-A1191 PolarHBondContact O-N 2.76Å; I1181-A1191 HydrophobicContact CD1-CB 4.08Å; I1181-A1191 HydrophobicContact CG1-CB 4.43Å; I1181-A1191 HydrophobicContact CG2-CB 4.15Å; A1191-L1275 WeakPolarHBondContact CA-O 3.49Å |
| 1192 | W | 94.1 | Very high | 84.7 | Confident | 2 Ų | 2 | 41.4 Ų | 41.4 | 1% | 0.008 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.5 | 163.7 | 179.2 | 53.6 | 93.7 | 0 | 0 | 0 | 110.4 | L1178 I1190 Y1206 L1208 F1270 A1274 L1275 H1277 V1292 | L1178-W1192 HydrophobicContact CD1-CB 4.07Å; L1178-W1192 HydrophobicContact CD1-CE3 3.94Å; I1190-W1192 HydrophobicContact CG2-CE3 4.31Å; I1190-W1192 HydrophobicContact CG2-CZ3 4.36Å; W1192-Y1206 AromaticContact CD1-CD1 3.93Å; W1192-Y1206 AromaticContact CD1-CE1 3.99Å; W1192-Y1206 HydrophobicContact CZ2-CG 4.24Å; W1192-Y1206 AromaticContact NE1-CD1 3.37Å; W1192-Y1206 AromaticContact NE1-CD2 3.57Å; W1192-Y1206 AromaticContact NE1-CE1 3.77Å; W1192-Y1206 AromaticContact NE1-CE2 3.96Å; W1192-Y1206 AromaticContact NE1-CG 3.26Å; W1192-Y1206 VanDerWaalsContact NE1-CG 3.26Å; W1192-L1208 HydrophobicContact CE3-CD1 4.41Å; W1192-L1208 HydrophobicContact CH2-CB 4.24Å; W1192-L1208 HydrophobicContact CH2-CD2 4.36Å; W1192-L1208 HydrophobicContact CZ3-CB 4.43Å; W1192-L1208 HydrophobicContact CZ3-CD1 4.05Å; W1192-L1208 HydrophobicContact CZ3-CD2 4Å; W1192-L1208 HydrophobicContact CZ3-CG 4.39Å; W1192-F1270 AromaticContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CE1 4.1Å; W1192-F1270 HydrophobicContact CZ2-CD1 4.12Å; W1192-F1270 HydrophobicContact CZ2-CE1 4.01Å; W1192-A1274 WeakPolarHBondContact CZ2-O 3.5Å; W1192-L1275 PolarHBondContact N-O 3.09Å; W1192-H1277 HydrophobicContact CH2-CB 4.21Å; W1192-V1292 HydrophobicContact CB-CG1 4.08Å; W1192-V1292 HydrophobicContact CD2-CB 4.41Å; W1192-V1292 HydrophobicContact CD2-CG1 4.34Å; W1192-V1292 HydrophobicContact CD2-CG2 3.96Å; W1192-V1292 HydrophobicContact CE3-CG2 4.49Å; W1192-V1292 HydrophobicContact CG-CG1 4.01Å; W1192-V1292 HydrophobicContact CG-CG2 4.23Å; W1192-V1292 HydrophobicContact CZ2-CG2 4.2Å |
| 1193 | N | 90.8 | Very high | 84.1 | Confident | 56 Ų | 56 | 41.6 Ų | 41.6 | 30% | 0.299 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 153.6 | 175.1 | -55.8 | -16.3 | 0 | 0 | 0 | 109.1 | L1176 D1177 R1179 | L1176-N1193 HydrophobicContact CB-CB 4.46Å; L1176-N1193 PolarHBondContact N-O 2.93Å; L1176-N1193 PolarHBondContact O-N 2.87Å; D1177-N1193 HydrophobicContact CB-CB 4.45Å; D1177-N1193 VanDerWaalsContact CB-ND2 3.31Å; D1177-N1193 WeakPolarHBondContact CB-ND2 3.48Å; D1177-N1193 PolarHBondContact OD2-ND2 2.96Å; R1179-N1193 VanDerWaalsContact CZ-OD1 3.28Å; R1179-N1193 PolarHBondContact NH1-OD1 2.91Å; R1179-N1193 PolarHBondContact NH2-OD1 2.84Å |
| 1194 | P | 86 | Confident | 83.4 | Confident | 60 Ų | 60 | 42.7 Ų | 42.7 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | trans | -56.2 | 153.1 | 174.1 | -23.2 | 32.9 | 0 | 0 | 0 | 112.7 | I1203 L1275 | P1194-I1203 HydrophobicContact CB-CD1 4.49Å; P1194-L1275 HydrophobicContact CG-CD1 4.1Å; P1194-L1275 HydrophobicContact CG-CD2 3.96Å | ||
| 1195 | P | 84.4 | Confident | 83.1 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 4% | 0.039 | 24% | 0.237 | C | C | . | . | trans | -62.7 | 140.1 | 168.3 | 27.7 | -34.2 | 0 | 0 | 0 | 111 | P1172 D1173 I1197 I1203 V1294 | P1172-P1195 HydrophobicContact CB-CG 4.2Å; D1173-P1195 HydrophobicContact CB-CB 4.12Å; D1173-P1195 VanDerWaalsContact O-CB 3.22Å; D1173-P1195 WeakPolarHBondContact O-CB 3.31Å; P1195-I1197 VanDerWaalsContact C-N 3.27Å; P1195-I1197 PolarHBondContact O-N 2.88Å; P1195-I1203 HydrophobicContact CG-CD1 3.85Å; P1195-V1294 HydrophobicContact CG-CG2 4.39Å | ||
| 1196 | L | 77.6 | Confident | 83.3 | Confident | 154 Ų | 154 | 42.1 Ų | 42.1 | 81% | 0.806 | 23% | 0.232 | S | C | * | . | S | Bend | trans | -65 | -29.4 | 178.3 | -80.6 | 165.4 | 0 | 0 | 0 | 113.1 | L1176 | L1176-L1196 HydrophobicContact CD1-CB 4.29Å; L1176-L1196 HydrophobicContact CD1-CD1 3.66Å; L1176-L1196 HydrophobicContact CD1-CG 3.58Å |
| 1197 | I | 74.7 | Confident | 83.3 | Confident | 91 Ų | 91 | 41.8 Ų | 41.8 | 47% | 0.467 | 23% | 0.225 | S | C | . | . | trans | -121.5 | 103.4 | -178.2 | -48.9 | -178.6 | 0 | 0 | 0 | 108.9 | D1173 P1195 N1199 | D1173-I1197 PolarHBondContact N-O 2.95Å; D1173-I1197 VanDerWaalsContact N-O 3.09Å; P1195-I1197 VanDerWaalsContact C-N 3.27Å; P1195-I1197 PolarHBondContact O-N 2.88Å; I1197-N1199 VanDerWaalsContact CG2-OD1 3.31Å; I1197-N1199 WeakPolarHBondContact CG2-OD1 3.18Å; I1197-N1199 PolarHBondContact O-N 3.28Å | ||
| 1198 | I | 76.3 | Confident | 83.4 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 42% | 0.421 | 22% | 0.221 | S | C | . | . | trans | -78.7 | -4.6 | 177.8 | 62.9 | 169.1 | 0 | 0 | 0 | 113.4 | G1200 A1201 I1203 | I1198-G1200 PolarHBondContact O-N 2.81Å; I1198-A1201 PolarHBondContact O-N 2.87Å; I1198-I1203 HydrophobicContact CG2-CD1 4.03Å; I1198-I1203 HydrophobicContact CG2-CG1 4.29Å | ||
| 1199 | N | 73.1 | Confident | 83.4 | Confident | 19 Ų | 19 | 41.3 Ų | 41.3 | 10% | 0.102 | 22% | 0.221 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 51.7 | 28.5 | 179.8 | -73 | -42 | 0 | 0 | 0 | 113.8 | P1140 P1169 S1170 A1171 D1173 I1197 A1201 | P1140-N1199 CarbonylContact C-O 3.6Å; P1140-N1199 HydrophobicContact CB-CB 3.94Å; P1140-N1199 HydrophobicContact CG-CB 4.46Å; P1140-N1199 CarbonylContact O-C 3.56Å; P1169-N1199 WeakPolarHBondContact CA-O 3.3Å; S1170-N1199 PolarHBondContact N-O 3.33Å; S1170-N1199 WeakPolarHBondContact O-CB 3.42Å; A1171-N1199 PolarHBondContact O-ND2 3.32Å; D1173-N1199 PolarHBondContact OD1-ND2 3Å; I1197-N1199 VanDerWaalsContact CG2-OD1 3.31Å; I1197-N1199 WeakPolarHBondContact CG2-OD1 3.18Å; I1197-N1199 PolarHBondContact O-N 3.28Å; N1199-A1201 PolarHBondContact O-N 2.82Å |
| 1200 | G | 69.6 | Low | 83.4 | Confident | 16 Ų | 16 | 40.9 Ų | 40.9 | 17% | 0.165 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 9.4 | -174 | 0 | 0 | 0 | 0 | 0 | 116.5 | I1198 | I1198-G1200 PolarHBondContact O-N 2.81Š|
| 1201 | A | 71.1 | Confident | 83.1 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.218 | C | C | . | . | P | Polyproline II helix | trans | -90.5 | 125.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | P1169 S1170 P1172 I1198 N1199 I1203 A1297 V1301 | P1169-A1201 HydrophobicContact CB-CB 4.12Å; S1170-A1201 WeakPolarHBondContact O-CB 3.4Å; P1172-A1201 HydrophobicContact CG-CB 4.23Å; I1198-A1201 PolarHBondContact O-N 2.87Å; N1199-A1201 PolarHBondContact O-N 2.82Å; A1201-I1203 PolarHBondContact O-N 2.91Å; A1201-A1297 HydrophobicContact CB-CB 3.92Å; A1201-V1301 HydrophobicContact CB-CG2 4.38Å |
| 1202 | P | 71.6 | Confident | 82.8 | Confident | 59 Ų | 59 | 43 Ų | 43 | 38% | 0.383 | 23% | 0.228 | S | C | . | . | P | Polyproline II helix | trans | -67.3 | 130.7 | 177.1 | 28.3 | -34.4 | 0 | 0 | 0 | 110.7 | V1204 A1297 V1298 N1299 | P1202-V1204 PolarHBondContact O-N 2.83Å; P1202-A1297 HydrophobicContact CG-CB 4.5Å; P1202-A1297 WeakPolarHBondContact O-CB 3.4Å; P1202-V1298 HydrophobicContact CG-CG2 4.46Å; P1202-N1299 VanDerWaalsContact CD-OD1 3.3Å; P1202-N1299 WeakPolarHBondContact CD-OD1 3.29Å |
| 1203 | I | 74.7 | Confident | 82.1 | Confident | 52 Ų | 52 | 43.6 Ų | 43.6 | 27% | 0.267 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -69 | 116.8 | 174.4 | -58 | 179.1 | 0 | 0 | 0 | 108.3 | P1194 P1195 I1198 A1201 Y1206 V1294 | P1194-I1203 HydrophobicContact CB-CD1 4.49Å; P1195-I1203 HydrophobicContact CG-CD1 3.85Å; I1198-I1203 HydrophobicContact CG2-CD1 4.03Å; I1198-I1203 HydrophobicContact CG2-CG1 4.29Å; A1201-I1203 PolarHBondContact O-N 2.91Å; I1203-Y1206 HydrophobicContact CG2-CE1 4.21Å; I1203-Y1206 HydrophobicContact CG2-CE2 3.96Å; I1203-V1294 HydrophobicContact CG1-CG1 4.5Å; I1203-V1294 HydrophobicContact CG2-CG1 3.98Å; I1203-V1294 HydrophobicContact CG2-CG2 4.36Å |
| 1204 | V | 75.4 | Confident | 80.5 | Confident | 60 Ų | 60 | 43.4 Ų | 43.4 | 36% | 0.364 | 24% | 0.244 | S | C | . | . | trans | -93.8 | -53.5 | 176.8 | 172.9 | 0 | 0 | 0 | 0 | 110.4 | P1202 V1298 | P1202-V1204 PolarHBondContact O-N 2.83Å; V1204-V1298 HydrophobicContact CG2-CB 4.47Å; V1204-V1298 HydrophobicContact CG2-CG2 3.41Å; V1204-V1298 VanDerWaalsContact CG2-CG2 3.41Å | ||
| 1205 | E | 84.5 | Confident | 78.8 | Confident | 61 Ų | 61 | 43.2 Ų | 43.2 | 29% | 0.285 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 149.5 | -177.3 | 58.3 | 178.5 | -170 | 0 | 0 | 112.9 | Y1271 V1294 D1295 | E1205-Y1271 HydrophobicContact CG-CD1 4.36Å; E1205-Y1271 WeakPolarHBondContact OE1-CE1 3.35Å; E1205-V1294 WeakPolarHBondContact O-CA 3.41Å; E1205-D1295 HydrophobicContact CG-CB 4.12Å; E1205-D1295 PolarHBondContact O-N 2.81Å |
| 1206 | Y | 89.5 | Confident | 76.7 | Confident | 9 Ų | 9 | 47.3 Ų | 47.3 | 4% | 0.035 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 140.5 | 167.7 | -61.8 | -81 | 0 | 0 | 0 | 109.8 | P1175 W1192 I1203 Y1271 G1272 A1274 L1275 V1292 Q1293 V1294 | P1175-Y1206 HydrophobicContact CB-CE1 4.25Å; P1175-Y1206 HydrophobicContact CG-CD1 3.96Å; P1175-Y1206 HydrophobicContact CG-CE1 3.95Å; W1192-Y1206 AromaticContact CD1-CD1 3.93Å; W1192-Y1206 AromaticContact CD1-CE1 3.99Å; W1192-Y1206 HydrophobicContact CZ2-CG 4.24Å; W1192-Y1206 AromaticContact NE1-CD1 3.37Å; W1192-Y1206 AromaticContact NE1-CD2 3.57Å; W1192-Y1206 AromaticContact NE1-CE1 3.77Å; W1192-Y1206 AromaticContact NE1-CE2 3.96Å; W1192-Y1206 AromaticContact NE1-CG 3.26Å; W1192-Y1206 VanDerWaalsContact NE1-CG 3.26Å; I1203-Y1206 HydrophobicContact CG2-CE1 4.21Å; I1203-Y1206 HydrophobicContact CG2-CE2 3.96Å; Y1206-Y1271 WeakPolarHBondContact O-CA 3.45Å; Y1206-G1272 PolarHBondContact N-O 3.24Å; Y1206-G1272 PolarHBondContact O-N 3.03Å; Y1206-G1272 VanDerWaalsContact O-N 3.09Å; Y1206-A1274 WeakPolarHBondContact CD2-O 3.11Å; Y1206-L1275 HydrophobicContact CD2-CD2 4.34Å; Y1206-L1275 HydrophobicContact CE2-CD2 3.5Å; Y1206-L1275 VanDerWaalsContact CE2-CD2 3.5Å; Y1206-V1292 HydrophobicContact CD1-CG2 4.27Å; Y1206-Q1293 WeakPolarHBondContact CA-O 3.36Å; Y1206-V1294 HydrophobicContact CD1-CG2 3.97Å; Y1206-V1294 HydrophobicContact CE1-CG2 3.77Å |
| 1207 | R | 90.6 | Very high | 75 | Confident | 74 Ų | 74 | 51.1 Ų | 51.1 | 28% | 0.279 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 106.4 | 172.8 | 178.2 | -165 | 175.5 | 143.9 | -3.8 | 109.4 | S1209 F1270 Y1271 V1292 Q1293 D1295 | R1207-S1209 PolarHBondContact NE-OG 3.3Å; R1207-F1270 WeakPolarHBondContact CA-O 3.31Å; R1207-Y1271 HydrophobicContact CB-CD1 4.24Å; R1207-Y1271 HydrophobicContact CB-CE1 3.85Å; R1207-Y1271 WeakPolarHBondContact CD-OH 3.42Å; R1207-Y1271 HydrophobicContact CG-CE1 4Å; R1207-Y1271 HydrophobicContact CG-CE2 3.99Å; R1207-Y1271 PolarHBondContact NH1-OH 3.2Å; R1207-V1292 WeakPolarHBondContact O-CA 3.31Å; R1207-Q1293 HydrophobicContact CB-CG 4.1Å; R1207-Q1293 PolarHBondContact N-O 2.87Å; R1207-Q1293 PolarHBondContact O-N 3.08Å; R1207-Q1293 VanDerWaalsContact O-N 3.13Å; R1207-D1295 HydrophobicContact CB-CB 4.33Å; R1207-D1295 IonicContact NH1-OD2 3.17Å |
| 1208 | L | 93.2 | Very high | 73.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.2 | 126.7 | 170.9 | -175.9 | 70.6 | 0 | 0 | 0 | 109.3 | L1178 I1190 W1192 C1268 V1269 F1270 H1277 V1279 F1290 V1292 | L1178-L1208 HydrophobicContact CD1-CD1 4.21Å; I1190-L1208 HydrophobicContact CB-CD2 4.07Å; I1190-L1208 HydrophobicContact CG1-CD2 4.36Å; I1190-L1208 HydrophobicContact CG2-CD1 4Å; I1190-L1208 HydrophobicContact CG2-CD2 4.32Å; W1192-L1208 HydrophobicContact CE3-CD1 4.41Å; W1192-L1208 HydrophobicContact CH2-CB 4.24Å; W1192-L1208 HydrophobicContact CH2-CD2 4.36Å; W1192-L1208 HydrophobicContact CZ3-CB 4.43Å; W1192-L1208 HydrophobicContact CZ3-CD1 4.05Å; W1192-L1208 HydrophobicContact CZ3-CD2 4Å; W1192-L1208 HydrophobicContact CZ3-CG 4.39Å; L1208-C1268 PolarHBondContact O-SG 2.91Å; L1208-C1268 VanDerWaalsContact O-SG 3.39Å; L1208-V1269 HydrophobicContact CB-CG2 4.19Å; L1208-V1269 HydrophobicContact CD2-CG2 3.84Å; L1208-V1269 HydrophobicContact CG-CG2 3.79Å; L1208-V1269 VanDerWaalsContact O-CG2 3.32Å; L1208-V1269 WeakPolarHBondContact O-CG2 3.32Å; L1208-V1269 PolarHBondContact O-N 3.04Å; L1208-F1270 HydrophobicContact CB-CB 4.08Å; L1208-F1270 HydrophobicContact CB-CD1 4.46Å; L1208-F1270 PolarHBondContact N-O 3.16Å; L1208-F1270 PolarHBondContact O-N 2.83Å; L1208-H1277 HydrophobicContact CD2-CB 4.36Å; L1208-V1279 HydrophobicContact CD2-CG2 3.85Å; L1208-F1290 HydrophobicContact CD1-CB 4.33Å; L1208-F1290 HydrophobicContact CD1-CD1 4.49Å; L1208-F1290 HydrophobicContact CG-CD1 4.45Å; L1208-V1292 HydrophobicContact CD1-CB 4.13Å |
| 1209 | S | 91.6 | Very high | 71.7 | Confident | 2 Ų | 2 | 53.1 Ų | 53.1 | 1% | 0.014 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 146 | 178.3 | -54.3 | 0 | 0 | 0 | 0 | 112 | R1207 E1267 F1290 H1291 | R1207-S1209 PolarHBondContact NE-OG 3.3Å; S1209-E1267 CarbonylContact C-O 3.57Å; S1209-E1267 WeakPolarHBondContact CA-O 3.2Å; S1209-E1267 WeakPolarHBondContact CB-O 3.45Å; S1209-F1290 VanDerWaalsContact O-CA 3.28Å; S1209-F1290 WeakPolarHBondContact O-CA 3.1Å; S1209-H1291 PolarHBondContact N-O 2.72Å; S1209-H1291 PolarHBondContact O-N 3.12Å |
| 1210 | R | 93.2 | Very high | 69.8 | Low | 49 Ų | 49 | 59.3 Ų | 59.3 | 19% | 0.185 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 134 | -172.3 | 174.2 | -169.6 | 65.8 | -163.4 | -1.2 | 110.9 | F1266 E1267 V1269 Y1288 A1289 F1290 | R1210-F1266 CarbonylContact O-C 3.43Å; R1210-F1266 WeakPolarHBondContact O-CA 3.34Å; R1210-E1267 IonicContact CZ-OE2 2.72Å; R1210-E1267 PolarHBondContact N-O 3.49Å; R1210-E1267 IonicContact NE-OE2 2.67Å; R1210-E1267 IonicContact NH2-OE2 3.74Å; R1210-E1267 PolarHBondContact NH2-OE2 2.9Å; R1210-E1267 PolarHBondContact O-N 2.91Å; R1210-V1269 HydrophobicContact CB-CB 4.49Å; R1210-V1269 HydrophobicContact CB-CG1 3.56Å; R1210-V1269 HydrophobicContact CB-CG2 4.06Å; R1210-V1269 HydrophobicContact CG-CG1 4.35Å; R1210-Y1288 HydrophobicContact CG-CD1 3.85Å; R1210-A1289 CarbonylContact C-O 3.57Å; R1210-A1289 WeakPolarHBondContact CA-O 3.34Å; R1210-F1290 HydrophobicContact CB-CD1 4Å; R1210-F1290 HydrophobicContact CB-CE1 3.7Å; R1210-F1290 HydrophobicContact CG-CD1 4.39Å; R1210-F1290 HydrophobicContact CG-CE1 3.73Å; R1210-F1290 HydrophobicContact CG-CZ 4.1Å |
| 1211 | A | 89.8 | Confident | 68.2 | Low | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.017 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 154.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | W1263 G1264 F1266 Y1288 A1289 | A1211-W1263 HydrophobicContact CB-CB 4.01Å; A1211-W1263 HydrophobicContact CB-CE3 4.28Å; A1211-G1264 VanDerWaalsContact CB-O 3.32Å; A1211-G1264 WeakPolarHBondContact CB-O 3.25Å; A1211-F1266 HydrophobicContact CB-CD1 3.76Å; A1211-F1266 HydrophobicContact CB-CD2 3.88Å; A1211-F1266 HydrophobicContact CB-CE1 3.77Å; A1211-F1266 HydrophobicContact CB-CE2 3.87Å; A1211-F1266 HydrophobicContact CB-CG 3.83Å; A1211-F1266 HydrophobicContact CB-CZ 3.82Å; A1211-Y1288 CarbonylContact O-C 3.55Å; A1211-Y1288 WeakPolarHBondContact O-CA 3.5Å; A1211-A1289 PolarHBondContact N-O 2.98Å; A1211-A1289 PolarHBondContact O-N 3.25Å |
| 1212 | I | 87.8 | Confident | 66.7 | Low | 50 Ų | 50 | 71.1 Ų | 71.1 | 26% | 0.256 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 148.2 | 171.9 | -166.3 | 171.7 | 0 | 0 | 0 | 110.3 | G1214 W1263 G1264 L1283 Y1288 | I1212-G1214 PolarHBondContact O-N 2.91Å; I1212-W1263 VanDerWaalsContact C-CE3 3.48Å; I1212-G1264 PolarHBondContact O-N 3.24Å; I1212-L1283 HydrophobicContact CD1-CD1 4.19Å; I1212-Y1288 HydrophobicContact CB-CD1 3.99Å; I1212-Y1288 HydrophobicContact CB-CE1 3.86Å; I1212-Y1288 HydrophobicContact CD1-CE1 3.81Å; I1212-Y1288 HydrophobicContact CG1-CD1 4.1Å; I1212-Y1288 HydrophobicContact CG1-CE1 3.75Å |
| 1213 | A | 77.5 | Confident | 64.8 | Low | 14 Ų | 14 | 78 Ų | 78 | 12% | 0.116 | 38% | 0.384 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 112.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | G1215 V1261 W1263 E1287 | A1213-G1215 PolarHBondContact O-N 3.39Å; A1213-V1261 HydrophobicContact CB-CG1 4.05Å; A1213-W1263 HydrophobicContact CB-CE3 4.24Å; A1213-W1263 HydrophobicContact CB-CH2 4.02Å; A1213-W1263 HydrophobicContact CB-CZ3 3.69Å; A1213-W1263 VanDerWaalsContact N-CZ3 3.3Å; A1213-E1287 HydrophobicContact CB-CB 3.98Å; A1213-E1287 PolarHBondContact N-O 3.26Å |
| 1214 | G | 59 | Low | 62.8 | Low | 51 Ų | 51 | 84 Ų | 84 | 53% | 0.526 | 41% | 0.408 | S | S | . | . | trans | -82.9 | 73.4 | -172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | I1212 G1262 | I1212-G1214 PolarHBondContact O-N 2.91Å; G1214-G1262 VanDerWaalsContact CA-O 3.25Å; G1214-G1262 WeakPolarHBondContact CA-O 3.4Å; G1214-G1262 PolarHBondContact N-O 2.86Å | ||
| 1215 | G | 50.4 | Low | 60.5 | Low | 56 Ų | 56 | 89.6 Ų | 89.6 | 58% | 0.577 | 43% | 0.432 | S | S | * | . | trans | -171.8 | 49.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 121.7 | A1213 | A1213-G1215 PolarHBondContact O-N 3.39Š| ||
| 1216 | T | 39.2 | Very low | 57.8 | Low | 93 Ų | 93 | 91 Ų | 91 | 57% | 0.571 | 45% | 0.449 | S | S | * | . | trans | -146.3 | 153.1 | 150 | 50.5 | 0 | 0 | 0 | 0 | 112 | Q1218 Q1219 | T1216-Q1218 PolarHBondContact O-N 3.47Å; T1216-Q1219 PolarHBondContact O-N 3.08Å | ||
| 1217 | R | 42.5 | Very low | 54.9 | Low | 233 Ų | 233 | 100.6 Ų | 100.6 | 88% | 0.879 | 49% | 0.487 | S | S | * | . | G | 310 helix | trans | -60.1 | -27.4 | -177.3 | -89.9 | -174 | 170.5 | -169.9 | -2 | 114.2 | Q1220 | R1217-Q1220 PolarHBondContact O-N 3.04Š|
| 1218 | Q | 40.8 | Very low | 51.8 | Low | 153 Ų | 153 | 103.3 Ų | 103.3 | 72% | 0.715 | 52% | 0.517 | S | S | * | . | G | 310 helix | trans | -70.5 | -30.4 | -175 | -72.5 | 174.9 | -25.2 | 0 | 0 | 113.5 | T1216 Q1220 H1221 | T1216-Q1218 PolarHBondContact O-N 3.47Å; Q1218-Q1220 PolarHBondContact O-N 2.83Å; Q1218-Q1220 VanDerWaalsContact O-N 3.15Å; Q1218-H1221 PolarHBondContact O-N 2.82Å |
| 1219 | Q | 39.9 | Very low | 48.7 | Very low | 62 Ų | 62 | 108.6 Ų | 108.6 | 29% | 0.29 | 55% | 0.554 | S | S | . | * | G | 310 helix | trans | -67.2 | -15.3 | 179.9 | -70.5 | -172.2 | -5.1 | 0 | 0 | 113.9 | T1216 H1221 H1222 | T1216-Q1219 PolarHBondContact O-N 3.08Å; Q1219-H1221 PolarHBondContact O-N 2.81Å; Q1219-H1222 PolarHBondContact O-N 2.77Å |
| 1220 | Q | 34.2 | Very low | 45.8 | Very low | 150 Ų | 150 | 113.7 Ų | 113.7 | 70% | 0.701 | 59% | 0.59 | S | S | * | * | G | 310 helix | trans | -65.1 | -23.5 | 179.5 | -69.7 | -165.5 | -10.5 | 0 | 0 | 113.9 | R1217 Q1218 | R1217-Q1220 PolarHBondContact O-N 3.04Å; Q1218-Q1220 PolarHBondContact O-N 2.83Å; Q1218-Q1220 VanDerWaalsContact O-N 3.15Å |
| 1221 | H | 34.8 | Very low | 42.6 | Very low | 160 Ų | 160 | 116.8 Ų | 116.8 | 74% | 0.741 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -34 | 179.9 | -124.3 | -115.3 | 0 | 0 | 0 | 113.1 | Q1218 Q1219 R1223 K1224 | Q1218-H1221 PolarHBondContact O-N 2.82Å; Q1219-H1221 PolarHBondContact O-N 2.81Å; H1221-R1223 PolarHBondContact O-N 2.93Å; H1221-K1224 PolarHBondContact O-N 3.08Å |
| 1222 | H | 40 | Very low | 39.6 | Very low | 103 Ų | 103 | 121.3 Ų | 121.3 | 48% | 0.477 | 65% | 0.649 | S | S | . | * | G | 310 helix | trans | -65.5 | -26.2 | 176.3 | -97.8 | 92.7 | 0 | 0 | 0 | 112.9 | Q1219 K1224 M1225 | Q1219-H1222 PolarHBondContact O-N 2.77Å; H1222-K1224 PolarHBondContact O-N 2.85Å; H1222-M1225 PolarHBondContact O-N 3.18Å |
| 1223 | R | 33.1 | Very low | 36.8 | Very low | 205 Ų | 205 | 123.9 Ų | 123.9 | 77% | 0.774 | 68% | 0.678 | S | S | * | * | G | 310 helix | trans | -66.1 | 3.5 | 178.1 | -117.5 | -178.9 | -177.1 | -176.3 | 1.6 | 115.4 | H1221 | H1221-R1223 PolarHBondContact O-N 2.93Š|
| 1224 | K | 32 | Very low | 34.6 | Very low | 176 Ų | 176 | 126.6 Ų | 126.6 | 77% | 0.765 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -112.3 | -5 | 176.2 | -80.3 | -175.8 | 174 | 177.5 | 0 | 115.3 | H1221 H1222 | H1221-K1224 PolarHBondContact O-N 3.08Å; H1222-K1224 PolarHBondContact O-N 2.85Å |
| 1225 | M | 27.5 | Very low | 33.3 | Very low | 178 Ų | 178 | 129.1 Ų | 129.1 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -116.3 | 51 | -179 | -65.8 | -134.5 | -148.2 | 0 | 0 | 113.3 | H1222 | H1222-M1225 PolarHBondContact O-N 3.18Š|
| 1226 | S | 28.2 | Very low | 32.2 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 72% | 0.718 | S | S | * | * | trans | -149.7 | 56.4 | 174.5 | 63.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1227 | Y | 27.5 | Very low | 31.7 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 82% | 0.824 | 73% | 0.729 | S | S | * | * | trans | -138.6 | 112.1 | 174.1 | -82.4 | -80.6 | 0 | 0 | 0 | 111.4 | ||||
| 1228 | S | 26.5 | Very low | 31.2 | Very low | 130 Ų | 130 | 129.5 Ų | 129.5 | 91% | 0.909 | 73% | 0.726 | S | S | * | * | trans | -170.9 | 62.2 | 154.5 | 41.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1229 | S | 27.2 | Very low | 30.6 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 73% | 0.727 | S | S | * | * | S | Bend | trans | -150.4 | 96.3 | 159.3 | 60.3 | 0 | 0 | 0 | 0 | 112.6 | ||
| 1230 | S | 29.9 | Very low | 30.2 | Very low | 110 Ų | 110 | 130.2 Ų | 130.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 47.5 | 94.5 | 161.1 | 56.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1231 | C | 26.2 | Very low | 30.1 | Very low | 113 Ų | 113 | 129.2 Ų | 129.2 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | 16.4 | 149.4 | 119.8 | -43.7 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 1232 | S | 28.4 | Very low | 30.2 | Very low | 97 Ų | 97 | 126.7 Ų | 126.7 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | cis | -153.8 | 163.4 | 36.3 | -60.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1233 | A | 27.5 | Very low | 29.9 | Very low | 104 Ų | 104 | 126.7 Ų | 126.7 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -149.6 | 150 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 1234 | S | 32.9 | Very low | 29.9 | Very low | 71 Ų | 71 | 122 Ų | 122 | 50% | 0.497 | 77% | 0.766 | S | S | . | * | trans | -158.5 | 116.9 | 173.3 | 27.5 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1235 | S | 30.2 | Very low | 30.2 | Very low | 104 Ų | 104 | 119.4 Ų | 119.4 | 73% | 0.727 | 77% | 0.768 | S | S | * | * | 73.7 | 133.9 | 63.2 | 76.8 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 1236 | L | 28.2 | Very low | 30.5 | Very low | 159 Ų | 159 | 116.1 Ų | 116.1 | 83% | 0.832 | 76% | 0.762 | S | S | * | * | cis | -176.4 | 155.8 | -16.6 | -124.3 | 162.5 | 0 | 0 | 0 | 108.6 | ||||
| 1237 | S | 28.9 | Very low | 31 | Very low | 116 Ų | 116 | 117.5 Ų | 117.5 | 81% | 0.811 | 77% | 0.769 | S | S | * | * | trans | 66.6 | 164.2 | 171.9 | 81.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1238 | S | 30.6 | Very low | 31.3 | Very low | 116 Ų | 116 | 112.2 Ų | 112.2 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | cis | -141.3 | 167.8 | 9 | 59 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1239 | A | 28.9 | Very low | 31.9 | Very low | 89 Ų | 89 | 112.1 Ų | 112.1 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | -92.6 | 167.3 | -171.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1240 | T | 32.3 | Very low | 32.2 | Very low | 141 Ų | 141 | 110.4 Ų | 110.4 | 87% | 0.865 | 75% | 0.749 | S | S | * | * | trans | -158 | 145.4 | 138.1 | -70.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1241 | T | 32.5 | Very low | 32.5 | Very low | 128 Ų | 128 | 113.2 Ų | 113.2 | 79% | 0.785 | 76% | 0.755 | S | S | * | * | trans | -89.8 | -175.5 | -174.5 | 29.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1242 | P | 35 | Very low | 32.9 | Very low | 108 Ų | 108 | 111.3 Ų | 111.3 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | cis | -152.5 | -179.1 | 27.2 | 43.1 | -19.8 | 0 | 0 | 0 | 121.5 | ||||
| 1243 | S | 33.9 | Very low | 33.1 | Very low | 102 Ų | 102 | 115.3 Ų | 115.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 142.2 | 151.8 | 47.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 1244 | S | 34.2 | Very low | 33.4 | Very low | 106 Ų | 106 | 115.5 Ų | 115.5 | 74% | 0.741 | 75% | 0.753 | S | S | * | * | cis | 136.4 | 156.2 | -14.4 | 60.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1245 | P | 38.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 120.7 Ų | 120.7 | 80% | 0.799 | 77% | 0.769 | S | S | * | * | cis | -137.1 | -167.5 | -7.6 | 39.6 | -18.5 | 0 | 0 | 0 | 116.1 | ||||
| 1246 | S | 32.5 | Very low | 32.9 | Very low | 109 Ų | 109 | 121.8 Ų | 121.8 | 76% | 0.762 | 78% | 0.777 | S | S | * | * | trans | -63.9 | -172.3 | 177.5 | -22.9 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 1247 | P | 39.4 | Very low | 33 | Very low | 120 Ų | 120 | 119.9 Ų | 119.9 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -151.8 | -170.6 | 44.1 | 44.9 | -21.4 | 0 | 0 | 0 | 120.6 | ||||
| 1248 | S | 34.1 | Very low | 33.1 | Very low | 100 Ų | 100 | 119.7 Ų | 119.7 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | trans | -49 | 165.8 | 175.8 | 50.1 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1249 | V | 37.8 | Very low | 33 | Very low | 128 Ų | 128 | 119.6 Ų | 119.6 | 78% | 0.776 | 78% | 0.775 | S | S | * | * | -165.2 | 138.3 | 69.1 | 160 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1250 | A | 34.5 | Very low | 33.2 | Very low | 75 Ų | 75 | 123.8 Ų | 123.8 | 62% | 0.62 | 78% | 0.777 | S | S | * | * | cis | 93.6 | 107.6 | 33.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1251 | D | 35.1 | Very low | 34.2 | Very low | 168 Ų | 168 | 120.4 Ų | 120.4 | 90% | 0.898 | 76% | 0.757 | S | S | * | * | trans | 156.5 | 145 | 135.3 | -79.2 | -16 | 0 | 0 | 0 | 114.3 | ||||
| 1252 | G | 34.4 | Very low | 35.3 | Very low | 73 Ų | 73 | 116.3 Ų | 116.3 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | 81.6 | 145 | 169.7 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1253 | E | 34 | Very low | 37.4 | Very low | 182 Ų | 182 | 113.9 Ų | 113.9 | 85% | 0.85 | 72% | 0.716 | S | S | * | * | cis | -159.4 | 157.9 | -16.2 | -143 | 169 | -136.1 | 0 | 0 | 112.1 | ||||
| 1254 | T | 32.2 | Very low | 39.5 | Very low | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.663 | 69% | 0.693 | S | S | * | * | trans | 39.5 | 110.4 | 158.5 | 28.8 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1255 | E | 27.7 | Very low | 41.8 | Very low | 179 Ų | 179 | 110 Ų | 110 | 84% | 0.836 | 69% | 0.69 | S | S | * | * | 45 | 107 | 125 | -60.8 | -175.1 | 176 | 0 | 0 | 121.5 | |||||
| 1256 | S | 27 | Very low | 44.1 | Very low | 127 Ų | 127 | 106.9 Ų | 106.9 | 89% | 0.888 | 66% | 0.664 | S | S | * | * | 170.6 | 88.8 | 115.8 | 43.3 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1257 | S | 29.3 | Very low | 46.8 | Very low | 120 Ų | 120 | 106.9 Ų | 106.9 | 84% | 0.839 | 65% | 0.652 | S | S | * | * | trans | -139.4 | 127.8 | 172.6 | 52.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1258 | S | 30.1 | Very low | 49.2 | Very low | 111 Ų | 111 | 103.5 Ų | 103.5 | 78% | 0.776 | 63% | 0.631 | S | S | * | * | trans | -62.9 | 143.4 | 178.8 | 52.8 | 0 | 0 | 0 | 0 | 111.6 | F1260 | S1258-F1260 PolarHBondContact O-N 2.82Š| ||
| 1259 | S | 29.7 | Very low | 51.9 | Low | 115 Ų | 115 | 100.3 Ų | 100.3 | 80% | 0.804 | 61% | 0.607 | S | S | * | * | trans | -59.2 | 97.9 | -179 | 54 | 0 | 0 | 0 | 0 | 112.1 | V1261 | S1259-V1261 PolarHBondContact O-N 3.38Š| ||
| 1260 | F | 32.6 | Very low | 54.4 | Low | 176 Ų | 176 | 95.8 Ų | 95.8 | 77% | 0.772 | 58% | 0.577 | S | S | * | * | trans | -70.8 | 101.3 | 175.9 | -163 | -88.6 | 0 | 0 | 0 | 109.2 | S1258 G1262 | S1258-F1260 PolarHBondContact O-N 2.82Å; F1260-G1262 PolarHBondContact O-N 2.88Å; F1260-G1262 VanDerWaalsContact O-N 3.1Å | ||
| 1261 | V | 52.8 | Low | 57 | Low | 71 Ų | 71 | 96.9 Ų | 96.9 | 43% | 0.43 | 57% | 0.566 | S | S | . | * | trans | -63.7 | 112.7 | 177.5 | 178.9 | 0 | 0 | 0 | 0 | 108.4 | A1213 S1259 W1263 | A1213-V1261 HydrophobicContact CB-CG1 4.05Å; S1259-V1261 PolarHBondContact O-N 3.38Å; V1261-W1263 PolarHBondContact O-N 3.16Å; V1261-W1263 VanDerWaalsContact O-N 3.11Å | ||
| 1262 | G | 56.8 | Low | 59.3 | Low | 42 Ų | 42 | 89.7 Ų | 89.7 | 43% | 0.433 | 53% | 0.531 | S | S | . | . | trans | -65.9 | 110.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G1214 F1260 | G1214-G1262 VanDerWaalsContact CA-O 3.25Å; G1214-G1262 WeakPolarHBondContact CA-O 3.4Å; G1214-G1262 PolarHBondContact N-O 2.86Å; F1260-G1262 PolarHBondContact O-N 2.88Å; F1260-G1262 VanDerWaalsContact O-N 3.1Å | ||
| 1263 | W | 78.6 | Confident | 61.8 | Low | 56 Ų | 56 | 92.6 Ų | 92.6 | 21% | 0.212 | 53% | 0.529 | C | S | . | . | B | Isolated β-bridge | trans | -59.9 | 142.8 | 169.4 | -65.9 | 104.5 | 0 | 0 | 0 | 110.8 | A1211 I1212 A1213 V1261 E1287 A1289 V1311 | A1211-W1263 HydrophobicContact CB-CB 4.01Å; A1211-W1263 HydrophobicContact CB-CE3 4.28Å; I1212-W1263 VanDerWaalsContact C-CE3 3.48Å; A1213-W1263 HydrophobicContact CB-CE3 4.24Å; A1213-W1263 HydrophobicContact CB-CH2 4.02Å; A1213-W1263 HydrophobicContact CB-CZ3 3.69Å; A1213-W1263 VanDerWaalsContact N-CZ3 3.3Å; V1261-W1263 PolarHBondContact O-N 3.16Å; V1261-W1263 VanDerWaalsContact O-N 3.11Å; W1263-E1287 HydrophobicContact CH2-CB 4.21Å; W1263-A1289 HydrophobicContact CD2-CB 3.51Å; W1263-A1289 HydrophobicContact CE3-CB 3.53Å; W1263-A1289 HydrophobicContact CG-CB 4.2Å; W1263-A1289 HydrophobicContact CH2-CB 3.9Å; W1263-A1289 HydrophobicContact CZ2-CB 3.86Å; W1263-A1289 HydrophobicContact CZ3-CB 3.72Å; W1263-V1311 HydrophobicContact CH2-CG1 3.82Å; W1263-V1311 HydrophobicContact CH2-CG2 4.29Å; W1263-V1311 HydrophobicContact CZ2-CB 4.44Å; W1263-V1311 HydrophobicContact CZ2-CG1 3.89Å; W1263-V1311 HydrophobicContact CZ2-CG2 3.67Å |
| 1264 | G | 77.8 | Confident | 64.4 | Low | 22 Ų | 22 | 85.8 Ų | 85.8 | 23% | 0.227 | 50% | 0.504 | C | S | . | . | trans | -62.9 | 175.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A1211 I1212 F1266 | A1211-G1264 VanDerWaalsContact CB-O 3.32Å; A1211-G1264 WeakPolarHBondContact CB-O 3.25Å; I1212-G1264 PolarHBondContact O-N 3.24Å; G1264-F1266 PolarHBondContact O-N 3.32Å | ||
| 1265 | P | 82.7 | Confident | 67.2 | Low | 104 Ų | 104 | 84 Ų | 84 | 68% | 0.675 | 49% | 0.491 | S | S | * | . | trans | -57.6 | 138.9 | 170.4 | 27.4 | -34.7 | 0 | 0 | 0 | 110.2 | E1267 | P1265-E1267 PolarHBondContact O-N 3.24Š| ||
| 1266 | F | 87.3 | Confident | 70.3 | Confident | 59 Ų | 59 | 78 Ų | 78 | 26% | 0.259 | 47% | 0.468 | S | S | . | . | trans | -75.7 | 113.5 | 175.6 | -81.9 | -92.2 | 0 | 0 | 0 | 110.4 | R1210 A1211 G1264 A1289 H1291 Q1309 | R1210-F1266 CarbonylContact O-C 3.43Å; R1210-F1266 WeakPolarHBondContact O-CA 3.34Å; A1211-F1266 HydrophobicContact CB-CD1 3.76Å; A1211-F1266 HydrophobicContact CB-CD2 3.88Å; A1211-F1266 HydrophobicContact CB-CE1 3.77Å; A1211-F1266 HydrophobicContact CB-CE2 3.87Å; A1211-F1266 HydrophobicContact CB-CG 3.83Å; A1211-F1266 HydrophobicContact CB-CZ 3.82Å; G1264-F1266 PolarHBondContact O-N 3.32Å; F1266-A1289 HydrophobicContact CE1-CB 4.09Å; F1266-A1289 WeakPolarHBondContact CE1-O 3.25Å; F1266-A1289 HydrophobicContact CZ-CB 3.9Å; F1266-H1291 AromaticContact CD1-CE1 3.41Å; F1266-H1291 VanDerWaalsContact CD1-CE1 3.41Å; F1266-H1291 WeakPolarHBondContact CD1-CE1 3.27Å; F1266-H1291 AromaticContact CD1-ND1 3.2Å; F1266-H1291 WeakPolarHBondContact CD1-ND1 3.44Å; F1266-H1291 AromaticContact CE1-CE1 3.94Å; F1266-H1291 AromaticContact CE1-ND1 3.25Å; F1266-H1291 VanDerWaalsContact CE1-ND1 3.25Å; F1266-H1291 WeakPolarHBondContact CE1-ND1 3.43Å; F1266-H1291 AromaticContact CG-CE1 3.45Å; F1266-H1291 VanDerWaalsContact CG-CE1 3.45Å; F1266-H1291 WeakPolarHBondContact CG-CE1 3.48Å; F1266-H1291 AromaticContact CG-ND1 3.65Å; F1266-H1291 AromaticContact CZ-ND1 3.74Å; F1266-Q1309 HydrophobicContact CZ-CG 4.44Å | ||
| 1267 | E | 88.9 | Confident | 73.5 | Confident | 108 Ų | 108 | 74.6 Ų | 74.6 | 51% | 0.505 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 142.9 | 172.6 | -61.8 | 173.5 | 162.5 | 0 | 0 | 109.6 | S1209 R1210 P1265 | S1209-E1267 CarbonylContact C-O 3.57Å; S1209-E1267 WeakPolarHBondContact CA-O 3.2Å; S1209-E1267 WeakPolarHBondContact CB-O 3.45Å; R1210-E1267 IonicContact CZ-OE2 2.72Å; R1210-E1267 PolarHBondContact N-O 3.49Å; R1210-E1267 IonicContact NE-OE2 2.67Å; R1210-E1267 IonicContact NH2-OE2 3.74Å; R1210-E1267 PolarHBondContact NH2-OE2 2.9Å; R1210-E1267 PolarHBondContact O-N 2.91Å; P1265-E1267 PolarHBondContact O-N 3.24Å |
| 1268 | C | 89 | Confident | 76.5 | Confident | 49 Ų | 49 | 71.8 Ų | 71.8 | 33% | 0.331 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 136.5 | 169.9 | -168.7 | 0 | 0 | 0 | 0 | 110.2 | L1208 F1270 Y1271 | L1208-C1268 PolarHBondContact O-SG 2.91Å; L1208-C1268 VanDerWaalsContact O-SG 3.39Å; C1268-F1270 PolarHBondContact SG-O 2.93Å; C1268-F1270 VanDerWaalsContact SG-O 3.37Å; C1268-Y1271 HydrophobicContact CB-CD2 4.43Å; C1268-Y1271 HydrophobicContact CB-CE2 4.16Å; C1268-Y1271 WeakPolarHBondContact SG-CD2 3.46Å; C1268-Y1271 WeakPolarHBondContact SG-CE2 3.37Å |
| 1269 | V | 91.4 | Very high | 79.5 | Confident | 33 Ų | 33 | 66.7 Ų | 66.7 | 20% | 0.2 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | -20.2 | 176.8 | -72.2 | 0 | 0 | 0 | 0 | 113.5 | L1208 R1210 V1279 F1290 | L1208-V1269 HydrophobicContact CB-CG2 4.19Å; L1208-V1269 HydrophobicContact CD2-CG2 3.84Å; L1208-V1269 HydrophobicContact CG-CG2 3.79Å; L1208-V1269 VanDerWaalsContact O-CG2 3.32Å; L1208-V1269 WeakPolarHBondContact O-CG2 3.32Å; L1208-V1269 PolarHBondContact O-N 3.04Å; R1210-V1269 HydrophobicContact CB-CB 4.49Å; R1210-V1269 HydrophobicContact CB-CG1 3.56Å; R1210-V1269 HydrophobicContact CB-CG2 4.06Å; R1210-V1269 HydrophobicContact CG-CG1 4.35Å; V1269-V1279 HydrophobicContact CB-CG1 4.16Å; V1269-V1279 HydrophobicContact CB-CG2 4.29Å; V1269-V1279 HydrophobicContact CG1-CG1 4.04Å; V1269-V1279 HydrophobicContact CG2-CG1 4.42Å; V1269-V1279 HydrophobicContact CG2-CG2 3.88Å; V1269-F1290 HydrophobicContact CG2-CE1 4.5Å |
| 1270 | F | 91 | Very high | 82.4 | Confident | 33 Ų | 33 | 69 Ų | 69 | 15% | 0.145 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.6 | 138.7 | 173 | 168.2 | -100.9 | 0 | 0 | 0 | 111.6 | W1192 R1207 L1208 C1268 G1272 A1274 H1277 | W1192-F1270 AromaticContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CD1 3.86Å; W1192-F1270 HydrophobicContact CH2-CE1 4.1Å; W1192-F1270 HydrophobicContact CZ2-CD1 4.12Å; W1192-F1270 HydrophobicContact CZ2-CE1 4.01Å; R1207-F1270 WeakPolarHBondContact CA-O 3.31Å; L1208-F1270 HydrophobicContact CB-CB 4.08Å; L1208-F1270 HydrophobicContact CB-CD1 4.46Å; L1208-F1270 PolarHBondContact N-O 3.16Å; L1208-F1270 PolarHBondContact O-N 2.83Å; C1268-F1270 PolarHBondContact SG-O 2.93Å; C1268-F1270 VanDerWaalsContact SG-O 3.37Å; F1270-G1272 WeakPolarHBondContact CE1-O 3.11Å; F1270-A1274 HydrophobicContact CE1-CB 4.33Å; F1270-A1274 HydrophobicContact CZ-CB 3.75Å; F1270-H1277 HydrophobicContact CB-CB 4.02Å; F1270-H1277 HydrophobicContact CD1-CB 4.21Å; F1270-H1277 HydrophobicContact CD2-CB 4.22Å; F1270-H1277 AromaticContact CD2-CE1 3.7Å; F1270-H1277 AromaticContact CD2-CG 3.73Å; F1270-H1277 AromaticContact CD2-ND1 3.17Å; F1270-H1277 WeakPolarHBondContact CD2-ND1 3.2Å; F1270-H1277 AromaticContact CE2-ND1 3.85Å; F1270-H1277 HydrophobicContact CG-CB 3.88Å; F1270-H1277 AromaticContact CG-CG 3.67Å; F1270-H1277 AromaticContact CG-ND1 3.63Å |
| 1271 | Y | 87.3 | Confident | 85.1 | Confident | 99 Ų | 99 | 68.6 Ų | 68.6 | 39% | 0.388 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 129.2 | 168.2 | -98.2 | -76.5 | 0 | 0 | 0 | 107.8 | E1205 Y1206 R1207 C1268 D1295 | E1205-Y1271 HydrophobicContact CG-CD1 4.36Å; E1205-Y1271 WeakPolarHBondContact OE1-CE1 3.35Å; Y1206-Y1271 WeakPolarHBondContact O-CA 3.45Å; R1207-Y1271 HydrophobicContact CB-CD1 4.24Å; R1207-Y1271 HydrophobicContact CB-CE1 3.85Å; R1207-Y1271 WeakPolarHBondContact CD-OH 3.42Å; R1207-Y1271 HydrophobicContact CG-CE1 4Å; R1207-Y1271 HydrophobicContact CG-CE2 3.99Å; R1207-Y1271 PolarHBondContact NH1-OH 3.2Å; C1268-Y1271 HydrophobicContact CB-CD2 4.43Å; C1268-Y1271 HydrophobicContact CB-CE2 4.16Å; C1268-Y1271 WeakPolarHBondContact SG-CD2 3.46Å; C1268-Y1271 WeakPolarHBondContact SG-CE2 3.37Å; Y1271-D1295 HydrophobicContact CE1-CB 3.86Å; Y1271-D1295 WeakPolarHBondContact CE1-OD2 3.45Å; Y1271-D1295 PolarHBondContact OH-OD2 3.17Å |
| 1272 | G | 85.2 | Confident | 86.8 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 17% | 0.165 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 152.6 | 177.7 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y1206 F1270 A1274 | Y1206-G1272 PolarHBondContact N-O 3.24Å; Y1206-G1272 PolarHBondContact O-N 3.03Å; Y1206-G1272 VanDerWaalsContact O-N 3.09Å; F1270-G1272 WeakPolarHBondContact CE1-O 3.11Å; G1272-A1274 PolarHBondContact O-N 2.83Å |
| 1273 | N | 85.8 | Confident | 88.2 | Confident | 134 Ų | 134 | 65.8 Ų | 65.8 | 72% | 0.717 | 34% | 0.344 | S | S | * | . | S | Bend | trans | -83.3 | -0.3 | -173.3 | 65.1 | -12 | 0 | 0 | 0 | 115.5 | ||
| 1274 | A | 89 | Confident | 88.6 | Confident | 39 Ų | 39 | 63.6 Ų | 63.6 | 32% | 0.322 | 34% | 0.337 | S | S | . | . | trans | -71.6 | 151.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | W1192 Y1206 F1270 G1272 | W1192-A1274 WeakPolarHBondContact CZ2-O 3.5Å; Y1206-A1274 WeakPolarHBondContact CD2-O 3.11Å; F1270-A1274 HydrophobicContact CE1-CB 4.33Å; F1270-A1274 HydrophobicContact CZ-CB 3.75Å; G1272-A1274 PolarHBondContact O-N 2.83Å | ||
| 1275 | L | 91 | Very high | 89 | Confident | 72 Ų | 72 | 64.9 Ų | 64.9 | 38% | 0.377 | 34% | 0.339 | S | S | . | . | S | Bend | trans | -94.1 | 3.9 | 176.6 | -66.9 | 175.6 | 0 | 0 | 0 | 113.7 | A1191 W1192 P1194 Y1206 | A1191-L1275 WeakPolarHBondContact CA-O 3.49Å; W1192-L1275 PolarHBondContact N-O 3.09Å; P1194-L1275 HydrophobicContact CG-CD1 4.1Å; P1194-L1275 HydrophobicContact CG-CD2 3.96Å; Y1206-L1275 HydrophobicContact CD2-CD2 4.34Å; Y1206-L1275 HydrophobicContact CE2-CD2 3.5Å; Y1206-L1275 VanDerWaalsContact CE2-CD2 3.5Å |
| 1276 | S | 92.6 | Very high | 89.2 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 36% | 0.357 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 146.7 | 177.9 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | I1190 | I1190-S1276 CarbonylContact O-C 3.55Å; I1190-S1276 WeakPolarHBondContact O-CA 3.12Å |
| 1277 | H | 93.5 | Very high | 89.4 | Confident | 56 Ų | 56 | 61.2 Ų | 61.2 | 26% | 0.259 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 137.6 | 177.3 | -172.7 | 80.2 | 0 | 0 | 0 | 112.4 | H1189 I1190 W1192 L1208 F1270 V1279 | H1189-H1277 PolarHBondContact CD2-O 2.96Å; I1190-H1277 PolarHBondContact N-O 2.99Å; I1190-H1277 PolarHBondContact O-N 2.91Å; W1192-H1277 HydrophobicContact CH2-CB 4.21Å; L1208-H1277 HydrophobicContact CD2-CB 4.36Å; F1270-H1277 HydrophobicContact CB-CB 4.02Å; F1270-H1277 HydrophobicContact CD1-CB 4.21Å; F1270-H1277 HydrophobicContact CD2-CB 4.22Å; F1270-H1277 AromaticContact CD2-CE1 3.7Å; F1270-H1277 AromaticContact CD2-CG 3.73Å; F1270-H1277 AromaticContact CD2-ND1 3.17Å; F1270-H1277 WeakPolarHBondContact CD2-ND1 3.2Å; F1270-H1277 AromaticContact CE2-ND1 3.85Å; F1270-H1277 HydrophobicContact CG-CB 3.88Å; F1270-H1277 AromaticContact CG-CG 3.67Å; F1270-H1277 AromaticContact CG-ND1 3.63Å; H1277-V1279 PolarHBondContact O-N 2.99Å |
| 1278 | E | 94.1 | Very high | 89.5 | Confident | 61 Ų | 61 | 56.6 Ų | 56.6 | 29% | 0.285 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 100.9 | 174 | -164.3 | -154.3 | 156.5 | 0 | 0 | 110.9 | S1187 H1189 R1280 | S1187-E1278 WeakPolarHBondContact CB-OE1 3.38Å; S1187-E1278 PolarHBondContact OG-OE1 2.79Å; H1189-E1278 HydrophobicContact CB-CG 4.33Å; E1278-R1280 HydrophobicContact CG-CG 4.23Å; E1278-R1280 PolarHBondContact O-N 2.77Å; E1278-R1280 VanDerWaalsContact O-N 3.14Å; E1278-R1280 WeakPolarHBondContact OE1-CG 3.15Å; E1278-R1280 IonicContact OE1-NE 3.13Å; E1278-R1280 PolarHBondContact OE1-NE 3.22Å; E1278-R1280 IonicContact OE2-CZ 2.81Å; E1278-R1280 IonicContact OE2-NE 3.65Å; E1278-R1280 PolarHBondContact OE2-NE 3.17Å; E1278-R1280 IonicContact OE2-NH2 3.95Å; E1278-R1280 PolarHBondContact OE2-NH2 3.36Å |
| 1279 | V | 92 | Very high | 89.6 | Confident | 4 Ų | 4 | 54.3 Ų | 54.3 | 2% | 0.024 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 102.5 | 177.4 | -174.1 | 0 | 0 | 0 | 0 | 108.7 | S1187 L1188 I1190 L1208 V1269 H1277 L1282 F1290 | S1187-V1279 CarbonylContact C-O 3.41Å; S1187-V1279 WeakPolarHBondContact CA-O 3.26Å; S1187-V1279 WeakPolarHBondContact CB-O 3.34Å; L1188-V1279 PolarHBondContact N-O 3.33Å; L1188-V1279 PolarHBondContact O-N 2.8Å; I1190-V1279 HydrophobicContact CG1-CG2 4.3Å; L1208-V1279 HydrophobicContact CD2-CG2 3.85Å; V1269-V1279 HydrophobicContact CB-CG1 4.16Å; V1269-V1279 HydrophobicContact CB-CG2 4.29Å; V1269-V1279 HydrophobicContact CG1-CG1 4.04Å; V1269-V1279 HydrophobicContact CG2-CG1 4.42Å; V1269-V1279 HydrophobicContact CG2-CG2 3.88Å; H1277-V1279 PolarHBondContact O-N 2.99Å; V1279-L1282 HydrophobicContact CG1-CD1 4.32Å; V1279-L1282 HydrophobicContact CG1-CD2 3.91Å; V1279-L1282 HydrophobicContact CG1-CG 4.31Å; V1279-L1282 WeakPolarHBondContact O-CD1 3.37Å; V1279-F1290 HydrophobicContact CB-CE1 4.32Å; V1279-F1290 HydrophobicContact CG1-CE1 4.21Å; V1279-F1290 HydrophobicContact CG2-CE1 3.88Å |
| 1280 | R | 91.2 | Very high | 89.8 | Confident | 164 Ų | 164 | 52.7 Ų | 52.7 | 62% | 0.619 | 27% | 0.268 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92 | 176.2 | 179.4 | -64.1 | 178.2 | -178.9 | 164.3 | 5.5 | 112.6 | N1186 E1278 L1282 | N1186-R1280 CarbonylContact O-C 3.51Å; E1278-R1280 HydrophobicContact CG-CG 4.23Å; E1278-R1280 PolarHBondContact O-N 2.77Å; E1278-R1280 VanDerWaalsContact O-N 3.14Å; E1278-R1280 WeakPolarHBondContact OE1-CG 3.15Å; E1278-R1280 IonicContact OE1-NE 3.13Å; E1278-R1280 PolarHBondContact OE1-NE 3.22Å; E1278-R1280 IonicContact OE2-CZ 2.81Å; E1278-R1280 IonicContact OE2-NE 3.65Å; E1278-R1280 PolarHBondContact OE2-NE 3.17Å; E1278-R1280 IonicContact OE2-NH2 3.95Å; E1278-R1280 PolarHBondContact OE2-NH2 3.36Å; R1280-L1282 VanDerWaalsContact C-N 3.3Å; R1280-L1282 PolarHBondContact O-N 2.79Å |
| 1281 | L | 88.2 | Confident | 89.8 | Confident | 168 Ų | 168 | 52.2 Ų | 52.2 | 88% | 0.88 | 27% | 0.266 | S | S | * | . | S | Bend | trans | 59.7 | 36.9 | 178.7 | -54.9 | 177.1 | 0 | 0 | 0 | 113.5 | N1186 | N1186-L1281 PolarHBondContact O-N 3.08Š|
| 1282 | L | 89.3 | Confident | 90 | Very high | 4 Ų | 4 | 47.5 Ų | 47.5 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | P | Polyproline II helix | trans | -84.5 | 157.3 | 171.7 | -58.1 | 178.2 | 0 | 0 | 0 | 110.9 | N1186 L1188 V1279 R1280 Y1288 T1314 | N1186-L1282 WeakPolarHBondContact CA-O 3.44Å; N1186-L1282 PolarHBondContact ND2-O 2.92Å; N1186-L1282 PolarHBondContact O-N 3Å; L1188-L1282 HydrophobicContact CB-CD1 3.83Å; L1188-L1282 HydrophobicContact CD1-CD1 3.7Å; L1188-L1282 HydrophobicContact CG-CD1 3.55Å; V1279-L1282 HydrophobicContact CG1-CD1 4.32Å; V1279-L1282 HydrophobicContact CG1-CD2 3.91Å; V1279-L1282 HydrophobicContact CG1-CG 4.31Å; V1279-L1282 WeakPolarHBondContact O-CD1 3.37Å; R1280-L1282 VanDerWaalsContact C-N 3.3Å; R1280-L1282 PolarHBondContact O-N 2.79Å; L1282-Y1288 HydrophobicContact CB-CE2 3.84Å; L1282-Y1288 HydrophobicContact CD1-CD2 4.28Å; L1282-Y1288 HydrophobicContact CD1-CE2 4.28Å; L1282-Y1288 HydrophobicContact CD2-CD1 4.31Å; L1282-Y1288 HydrophobicContact CD2-CD2 4.35Å; L1282-Y1288 HydrophobicContact CD2-CE1 3.93Å; L1282-Y1288 HydrophobicContact CD2-CE2 3.99Å; L1282-Y1288 HydrophobicContact CG-CE2 4.26Å; L1282-T1314 HydrophobicContact CB-CG2 3.74Å; L1282-T1314 HydrophobicContact CD1-CG2 3.89Å; L1282-T1314 HydrophobicContact CG-CG2 4.49Å |
| 1283 | L | 86.5 | Confident | 90.2 | Very high | 50 Ų | 50 | 48.1 Ų | 48.1 | 26% | 0.262 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -76.3 | 143.3 | 170.7 | -64.4 | 174.5 | 0 | 0 | 0 | 109.6 | A1185 I1212 S1286 Y1288 T1314 | A1185-L1283 CarbonylContact O-C 3.41Å; I1212-L1283 HydrophobicContact CD1-CD1 4.19Å; L1283-S1286 WeakPolarHBondContact CB-OG 3.02Å; L1283-S1286 WeakPolarHBondContact O-CB 3.21Å; L1283-Y1288 PolarHBondContact N-OH 3.22Å; L1283-T1314 WeakPolarHBondContact O-CB 3.39Å; L1283-T1314 PolarHBondContact O-OG1 3.42Å |
| 1284 | P | 86 | Confident | 90 | Very high | 9 Ų | 9 | 41.7 Ų | 41.7 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | 157.2 | 169.9 | -23.3 | 35.2 | 0 | 0 | 0 | 113.4 | A1185 S1286 H1345 | A1185-P1284 HydrophobicContact CB-CB 4.3Å; A1185-P1284 HydrophobicContact CB-CG 4.31Å; A1185-P1284 WeakPolarHBondContact O-CA 3.15Å; A1185-P1284 WeakPolarHBondContact O-CG 3.25Å; P1284-S1286 PolarHBondContact O-N 2.58Å; P1284-S1286 PolarHBondContact O-OG 3.19Å; P1284-H1345 HydrophobicContact CB-CB 3.72Å; P1284-H1345 HydrophobicContact CG-CB 3.92Å |
| 1285 | D | 87.1 | Confident | 89 | Confident | 50 Ų | 50 | 40.7 Ų | 40.7 | 27% | 0.267 | 20% | 0.201 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 41.4 | 37.1 | -179 | -166.5 | 41.5 | 0 | 0 | 0 | 115 | R1313 T1314 Q1315 | D1285-R1313 PolarHBondContact O-NH2 2.98Å; D1285-R1313 IonicContact OD1-CZ 3.26Å; D1285-R1313 VanDerWaalsContact OD1-CZ 3.27Å; D1285-R1313 IonicContact OD1-NE 2.74Å; D1285-R1313 PolarHBondContact OD1-NE 2.9Å; D1285-R1313 IonicContact OD1-NH2 2.9Å; D1285-R1313 PolarHBondContact OD1-NH2 2.97Å; D1285-R1313 IonicContact OD2-CZ 3.55Å; D1285-R1313 IonicContact OD2-NH2 3.55Å; D1285-R1313 PolarHBondContact OD2-NH2 2.94Å; D1285-T1314 PolarHBondContact N-OG1 2.67Å; D1285-Q1315 PolarHBondContact N-O 2.89Å |
| 1286 | S | 87.6 | Confident | 87.5 | Confident | 15 Ų | 15 | 40.6 Ų | 40.6 | 11% | 0.105 | 20% | 0.201 | C | C | . | . | trans | -119 | 136.7 | -171.9 | -67.7 | 0 | 0 | 0 | 0 | 111.1 | L1283 P1284 Y1288 R1313 T1314 | L1283-S1286 WeakPolarHBondContact CB-OG 3.02Å; L1283-S1286 WeakPolarHBondContact O-CB 3.21Å; P1284-S1286 PolarHBondContact O-N 2.58Å; P1284-S1286 PolarHBondContact O-OG 3.19Å; S1286-Y1288 VanDerWaalsContact O-CD2 3.32Å; S1286-Y1288 WeakPolarHBondContact O-CD2 3.48Å; S1286-R1313 WeakPolarHBondContact O-CA 3.45Å; S1286-T1314 PolarHBondContact N-OG1 2.9Å; S1286-T1314 PolarHBondContact O-N 3.44Å; S1286-T1314 PolarHBondContact O-OG1 2.74Å | ||
| 1287 | E | 89.7 | Confident | 85.4 | Confident | 70 Ų | 70 | 38.4 Ų | 38.4 | 33% | 0.327 | 19% | 0.186 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 129.9 | -179.3 | -70.7 | 180 | 179.1 | 0 | 0 | 111.7 | A1213 W1263 R1313 | A1213-E1287 HydrophobicContact CB-CB 3.98Å; A1213-E1287 PolarHBondContact N-O 3.26Å; W1263-E1287 HydrophobicContact CH2-CB 4.21Å; E1287-R1313 HydrophobicContact CG-CB 4.09Å; E1287-R1313 HydrophobicContact CG-CG 3.76Å; E1287-R1313 IonicContact OE1-CZ 2.59Å; E1287-R1313 IonicContact OE1-NH1 2.8Å; E1287-R1313 PolarHBondContact OE1-NH1 2.77Å |
| 1288 | Y | 91.6 | Very high | 83.3 | Confident | 12 Ų | 12 | 41.8 Ų | 41.8 | 5% | 0.047 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 134.3 | -179.8 | -65.8 | -81.3 | 0 | 0 | 0 | 110.2 | L1188 R1210 A1211 I1212 L1282 L1283 S1286 C1312 T1314 | L1188-Y1288 HydrophobicContact CD1-CD2 4.26Å; R1210-Y1288 HydrophobicContact CG-CD1 3.85Å; A1211-Y1288 CarbonylContact O-C 3.55Å; A1211-Y1288 WeakPolarHBondContact O-CA 3.5Å; I1212-Y1288 HydrophobicContact CB-CD1 3.99Å; I1212-Y1288 HydrophobicContact CB-CE1 3.86Å; I1212-Y1288 HydrophobicContact CD1-CE1 3.81Å; I1212-Y1288 HydrophobicContact CG1-CD1 4.1Å; I1212-Y1288 HydrophobicContact CG1-CE1 3.75Å; L1282-Y1288 HydrophobicContact CB-CE2 3.84Å; L1282-Y1288 HydrophobicContact CD1-CD2 4.28Å; L1282-Y1288 HydrophobicContact CD1-CE2 4.28Å; L1282-Y1288 HydrophobicContact CD2-CD1 4.31Å; L1282-Y1288 HydrophobicContact CD2-CD2 4.35Å; L1282-Y1288 HydrophobicContact CD2-CE1 3.93Å; L1282-Y1288 HydrophobicContact CD2-CE2 3.99Å; L1282-Y1288 HydrophobicContact CG-CE2 4.26Å; L1283-Y1288 PolarHBondContact N-OH 3.22Å; S1286-Y1288 VanDerWaalsContact O-CD2 3.32Å; S1286-Y1288 WeakPolarHBondContact O-CD2 3.48Å; Y1288-C1312 PolarHBondContact N-O 3.5Å; Y1288-C1312 PolarHBondContact O-N 2.8Å; Y1288-C1312 VanDerWaalsContact O-O 3.13Å; Y1288-T1314 HydrophobicContact CE2-CG2 4.26Å |
| 1289 | A | 92.5 | Very high | 81.2 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 138.5 | 168.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1210 A1211 W1263 F1266 L1310 V1311 | R1210-A1289 CarbonylContact C-O 3.57Å; R1210-A1289 WeakPolarHBondContact CA-O 3.34Å; A1211-A1289 PolarHBondContact N-O 2.98Å; A1211-A1289 PolarHBondContact O-N 3.25Å; W1263-A1289 HydrophobicContact CD2-CB 3.51Å; W1263-A1289 HydrophobicContact CE3-CB 3.53Å; W1263-A1289 HydrophobicContact CG-CB 4.2Å; W1263-A1289 HydrophobicContact CH2-CB 3.9Å; W1263-A1289 HydrophobicContact CZ2-CB 3.86Å; W1263-A1289 HydrophobicContact CZ3-CB 3.72Å; F1266-A1289 HydrophobicContact CE1-CB 4.09Å; F1266-A1289 WeakPolarHBondContact CE1-O 3.25Å; F1266-A1289 HydrophobicContact CZ-CB 3.9Å; A1289-L1310 CarbonylContact C-O 3.55Å; A1289-L1310 WeakPolarHBondContact CA-O 3.33Å; A1289-V1311 HydrophobicContact CB-CG2 4.4Å |
| 1290 | F | 93.7 | Very high | 79.4 | Confident | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 144.9 | 176 | -62.4 | -86.3 | 0 | 0 | 0 | 110.8 | L1178 L1188 I1190 L1208 S1209 R1210 V1269 V1279 Q1309 L1310 C1312 | L1178-F1290 HydrophobicContact CD2-CB 4.37Å; L1178-F1290 WeakPolarHBondContact CD2-O 3.1Å; L1188-F1290 HydrophobicContact CD1-CE2 3.6Å; L1188-F1290 HydrophobicContact CD1-CZ 3.91Å; I1190-F1290 HydrophobicContact CD1-CD2 3.93Å; I1190-F1290 HydrophobicContact CD1-CE2 4.01Å; I1190-F1290 HydrophobicContact CD1-CG 4.29Å; I1190-F1290 HydrophobicContact CD1-CZ 4.43Å; I1190-F1290 HydrophobicContact CG1-CD1 4.24Å; I1190-F1290 HydrophobicContact CG1-CD2 4.34Å; I1190-F1290 HydrophobicContact CG1-CE1 4.34Å; I1190-F1290 HydrophobicContact CG1-CE2 4.44Å; I1190-F1290 HydrophobicContact CG1-CG 4.24Å; I1190-F1290 HydrophobicContact CG1-CZ 4.43Å; L1208-F1290 HydrophobicContact CD1-CB 4.33Å; L1208-F1290 HydrophobicContact CD1-CD1 4.49Å; L1208-F1290 HydrophobicContact CG-CD1 4.45Å; S1209-F1290 VanDerWaalsContact O-CA 3.28Å; S1209-F1290 WeakPolarHBondContact O-CA 3.1Å; R1210-F1290 HydrophobicContact CB-CD1 4Å; R1210-F1290 HydrophobicContact CB-CE1 3.7Å; R1210-F1290 HydrophobicContact CG-CD1 4.39Å; R1210-F1290 HydrophobicContact CG-CE1 3.73Å; R1210-F1290 HydrophobicContact CG-CZ 4.1Å; V1269-F1290 HydrophobicContact CG2-CE1 4.5Å; V1279-F1290 HydrophobicContact CB-CE1 4.32Å; V1279-F1290 HydrophobicContact CG1-CE1 4.21Å; V1279-F1290 HydrophobicContact CG2-CE1 3.88Å; F1290-Q1309 CarbonylContact O-C 3.57Å; F1290-Q1309 WeakPolarHBondContact O-CA 3.46Å; F1290-L1310 HydrophobicContact CB-CB 4.46Å; F1290-L1310 PolarHBondContact N-O 2.9Å; F1290-L1310 PolarHBondContact O-N 2.94Å; F1290-C1312 HydrophobicContact CE2-CB 4.39Å |
| 1291 | H | 92.5 | Very high | 78 | Confident | 22 Ų | 22 | 41.4 Ų | 41.4 | 10% | 0.102 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 153.3 | 162.2 | 69 | -104.4 | 0 | 0 | 0 | 109.6 | S1209 F1266 Q1293 P1306 | S1209-H1291 PolarHBondContact N-O 2.72Å; S1209-H1291 PolarHBondContact O-N 3.12Å; F1266-H1291 AromaticContact CD1-CE1 3.41Å; F1266-H1291 VanDerWaalsContact CD1-CE1 3.41Å; F1266-H1291 WeakPolarHBondContact CD1-CE1 3.27Å; F1266-H1291 AromaticContact CD1-ND1 3.2Å; F1266-H1291 WeakPolarHBondContact CD1-ND1 3.44Å; F1266-H1291 AromaticContact CE1-CE1 3.94Å; F1266-H1291 AromaticContact CE1-ND1 3.25Å; F1266-H1291 VanDerWaalsContact CE1-ND1 3.25Å; F1266-H1291 WeakPolarHBondContact CE1-ND1 3.43Å; F1266-H1291 AromaticContact CG-CE1 3.45Å; F1266-H1291 VanDerWaalsContact CG-CE1 3.45Å; F1266-H1291 WeakPolarHBondContact CG-CE1 3.48Å; F1266-H1291 AromaticContact CG-ND1 3.65Å; F1266-H1291 AromaticContact CZ-ND1 3.74Å; H1291-Q1293 PolarHBondContact NE2-NE2 2.68Å; H1291-P1306 HydrophobicContact CB-CB 4.3Å |
| 1292 | V | 91.4 | Very high | 77 | Confident | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 145.6 | 176.1 | 65.3 | 0 | 0 | 0 | 0 | 110.4 | P1175 L1178 W1192 Y1206 R1207 L1208 S1307 | P1175-V1292 HydrophobicContact CB-CG1 3.76Å; P1175-V1292 HydrophobicContact CG-CG1 3.92Å; P1175-V1292 HydrophobicContact CG-CG2 4.33Å; L1178-V1292 HydrophobicContact CD1-CB 4.3Å; L1178-V1292 HydrophobicContact CD1-CG1 3.9Å; L1178-V1292 HydrophobicContact CD2-CG1 4.35Å; L1178-V1292 HydrophobicContact CG-CG1 4.48Å; W1192-V1292 HydrophobicContact CB-CG1 4.08Å; W1192-V1292 HydrophobicContact CD2-CB 4.41Å; W1192-V1292 HydrophobicContact CD2-CG1 4.34Å; W1192-V1292 HydrophobicContact CD2-CG2 3.96Å; W1192-V1292 HydrophobicContact CE3-CG2 4.49Å; W1192-V1292 HydrophobicContact CG-CG1 4.01Å; W1192-V1292 HydrophobicContact CG-CG2 4.23Å; W1192-V1292 HydrophobicContact CZ2-CG2 4.2Å; Y1206-V1292 HydrophobicContact CD1-CG2 4.27Å; R1207-V1292 WeakPolarHBondContact O-CA 3.31Å; L1208-V1292 HydrophobicContact CD1-CB 4.13Å; V1292-S1307 PolarHBondContact N-OG 2.7Å; V1292-S1307 PolarHBondContact O-N 2.96Å |
| 1293 | Q | 89.1 | Confident | 76.4 | Confident | 29 Ų | 29 | 36.9 Ų | 36.9 | 14% | 0.136 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 155.8 | 172.8 | 62.4 | -154.5 | -59.4 | 0 | 0 | 109.7 | Y1206 R1207 H1291 V1303 S1304 | Y1206-Q1293 WeakPolarHBondContact CA-O 3.36Å; R1207-Q1293 HydrophobicContact CB-CG 4.1Å; R1207-Q1293 PolarHBondContact N-O 2.87Å; R1207-Q1293 PolarHBondContact O-N 3.08Å; R1207-Q1293 VanDerWaalsContact O-N 3.13Å; H1291-Q1293 PolarHBondContact NE2-NE2 2.68Å; Q1293-V1303 HydrophobicContact CB-CG1 4.22Å; Q1293-V1303 HydrophobicContact CG-CG1 3.83Å; Q1293-S1304 WeakPolarHBondContact CA-OG 3.36Å; Q1293-S1304 WeakPolarHBondContact CB-OG 3.34Å |
| 1294 | V | 81.7 | Confident | 76.2 | Confident | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.3 | 119.7 | 168.9 | -178.9 | 0 | 0 | 0 | 0 | 107.6 | P1172 P1175 P1195 I1203 E1205 Y1206 V1303 S1304 | P1172-V1294 HydrophobicContact CB-CG2 4.46Å; P1172-V1294 HydrophobicContact CG-CG1 4.24Å; P1175-V1294 HydrophobicContact CG-CG2 4.11Å; P1195-V1294 HydrophobicContact CG-CG2 4.39Å; I1203-V1294 HydrophobicContact CG1-CG1 4.5Å; I1203-V1294 HydrophobicContact CG2-CG1 3.98Å; I1203-V1294 HydrophobicContact CG2-CG2 4.36Å; E1205-V1294 WeakPolarHBondContact O-CA 3.41Å; Y1206-V1294 HydrophobicContact CD1-CG2 3.97Å; Y1206-V1294 HydrophobicContact CE1-CG2 3.77Å; V1294-V1303 CarbonylContact O-C 3.51Å; V1294-V1303 VanDerWaalsContact O-CA 3.31Å; V1294-V1303 WeakPolarHBondContact O-CA 3.48Å; V1294-V1303 WeakPolarHBondContact O-CG1 3.44Å; V1294-S1304 PolarHBondContact N-OG 3.45Å; V1294-S1304 PolarHBondContact O-N 3.07Å |
| 1295 | D | 68.8 | Low | 76.1 | Confident | 18 Ų | 18 | 37.8 Ų | 37.8 | 10% | 0.096 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 165.3 | 171.8 | -141 | -38.2 | 0 | 0 | 0 | 110 | E1205 R1207 Y1271 A1297 V1303 | E1205-D1295 HydrophobicContact CG-CB 4.12Å; E1205-D1295 PolarHBondContact O-N 2.81Å; R1207-D1295 HydrophobicContact CB-CB 4.33Å; R1207-D1295 IonicContact NH1-OD2 3.17Å; Y1271-D1295 HydrophobicContact CE1-CB 3.86Å; Y1271-D1295 WeakPolarHBondContact CE1-OD2 3.45Å; Y1271-D1295 PolarHBondContact OH-OD2 3.17Å; D1295-A1297 PolarHBondContact O-N 2.77Å; D1295-V1303 WeakPolarHBondContact OD1-CG2 3.42Å |
| 1296 | N | 58.7 | Low | 76.1 | Confident | 70 Ų | 70 | 38.6 Ų | 38.6 | 37% | 0.374 | 23% | 0.233 | S | C | . | . | P | Polyproline II helix | trans | -46.1 | 126.8 | -152.7 | -84.2 | -82 | 0 | 0 | 0 | 117 | G1302 | N1296-G1302 WeakPolarHBondContact OD1-CA 3.23Å; N1296-G1302 PolarHBondContact OD1-N 3.01Å |
| 1297 | A | 48.3 | Very low | 76.2 | Confident | 4 Ų | 4 | 38.4 Ų | 38.4 | 3% | 0.033 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -59.3 | 155.5 | 163.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | A1201 P1202 D1295 N1299 S1300 | A1201-A1297 HydrophobicContact CB-CB 3.92Å; P1202-A1297 HydrophobicContact CG-CB 4.5Å; P1202-A1297 WeakPolarHBondContact O-CB 3.4Å; D1295-A1297 PolarHBondContact O-N 2.77Å; A1297-N1299 PolarHBondContact O-N 2.81Å; A1297-S1300 PolarHBondContact O-N 3.04Å |
| 1298 | V | 50.1 | Low | 76 | Confident | 128 Ų | 128 | 39.2 Ų | 39.2 | 78% | 0.776 | 25% | 0.25 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -50.1 | -29.1 | -177.3 | -169.8 | 0 | 0 | 0 | 0 | 113.4 | P1202 V1204 | P1202-V1298 HydrophobicContact CG-CG2 4.46Å; V1204-V1298 HydrophobicContact CG2-CB 4.47Å; V1204-V1298 HydrophobicContact CG2-CG2 3.41Å; V1204-V1298 VanDerWaalsContact CG2-CG2 3.41Å |
| 1299 | N | 48.8 | Very low | 75.9 | Confident | 75 Ų | 75 | 43.6 Ų | 43.6 | 40% | 0.401 | 27% | 0.271 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | 14 | -177.9 | 18.5 | 11.1 | 0 | 0 | 0 | 114.3 | P1202 A1297 V1301 | P1202-N1299 VanDerWaalsContact CD-OD1 3.3Å; P1202-N1299 WeakPolarHBondContact CD-OD1 3.29Å; A1297-N1299 PolarHBondContact O-N 2.81Å; N1299-V1301 VanDerWaalsContact C-N 3.34Å; N1299-V1301 HydrophobicContact CB-CG2 3.97Å; N1299-V1301 WeakPolarHBondContact O-CG2 3.1Å; N1299-V1301 PolarHBondContact O-N 3.03Å |
| 1300 | S | 55.1 | Low | 75.9 | Confident | 100 Ų | 100 | 45.1 Ų | 45.1 | 70% | 0.699 | 28% | 0.278 | S | S | * | . | trans | 56.8 | 37.9 | 170.2 | 59.5 | 0 | 0 | 0 | 0 | 115.4 | A1297 | A1297-S1300 PolarHBondContact O-N 3.04Š| ||
| 1301 | V | 62.3 | Low | 75.8 | Confident | 45 Ų | 45 | 48.7 Ų | 48.7 | 27% | 0.273 | 30% | 0.3 | S | S | . | . | trans | -85.9 | -16.6 | -169.2 | -160 | 0 | 0 | 0 | 0 | 113.1 | P1169 S1170 A1201 N1299 | P1169-V1301 HydrophobicContact CB-CG1 4.17Å; P1169-V1301 HydrophobicContact CB-CG2 4.14Å; P1169-V1301 VanDerWaalsContact O-CG1 3.3Å; P1169-V1301 WeakPolarHBondContact O-CG1 3.4Å; S1170-V1301 VanDerWaalsContact CA-CG1 3.48Å; A1201-V1301 HydrophobicContact CB-CG2 4.38Å; N1299-V1301 VanDerWaalsContact C-N 3.34Å; N1299-V1301 HydrophobicContact CB-CG2 3.97Å; N1299-V1301 WeakPolarHBondContact O-CG2 3.1Å; N1299-V1301 PolarHBondContact O-N 3.03Å | ||
| 1302 | G | 66.9 | Low | 75.6 | Confident | 23 Ų | 23 | 48.6 Ų | 48.6 | 24% | 0.237 | 30% | 0.302 | C | S | . | . | trans | 124.8 | 170.7 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | N1296 | N1296-G1302 WeakPolarHBondContact OD1-CA 3.23Å; N1296-G1302 PolarHBondContact OD1-N 3.01Å | ||
| 1303 | V | 76.1 | Confident | 75.6 | Confident | 54 Ų | 54 | 53.9 Ų | 53.9 | 33% | 0.327 | 32% | 0.322 | S | S | . | . | P | Polyproline II helix | trans | -89.5 | 144.3 | 176.7 | -172.7 | 0 | 0 | 0 | 0 | 108.7 | Q1293 V1294 D1295 | Q1293-V1303 HydrophobicContact CB-CG1 4.22Å; Q1293-V1303 HydrophobicContact CG-CG1 3.83Å; V1294-V1303 CarbonylContact O-C 3.51Å; V1294-V1303 VanDerWaalsContact O-CA 3.31Å; V1294-V1303 WeakPolarHBondContact O-CA 3.48Å; V1294-V1303 WeakPolarHBondContact O-CG1 3.44Å; D1295-V1303 WeakPolarHBondContact OD1-CG2 3.42Å |
| 1304 | S | 82.6 | Confident | 75.7 | Confident | 4 Ų | 4 | 52.7 Ų | 52.7 | 3% | 0.028 | 32% | 0.316 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 160 | 172.3 | 78.7 | 0 | 0 | 0 | 0 | 111.1 | P1172 D1173 Q1293 V1294 | P1172-S1304 WeakPolarHBondContact O-CA 3.39Å; P1172-S1304 WeakPolarHBondContact O-CB 3.34Å; D1173-S1304 WeakPolarHBondContact O-CB 3.39Å; Q1293-S1304 WeakPolarHBondContact CA-OG 3.36Å; Q1293-S1304 WeakPolarHBondContact CB-OG 3.34Å; V1294-S1304 PolarHBondContact N-OG 3.45Å; V1294-S1304 PolarHBondContact O-N 3.07Å |
| 1305 | P | 83.9 | Confident | 76 | Confident | 75 Ų | 75 | 57.6 Ų | 57.6 | 49% | 0.487 | 34% | 0.339 | S | S | . | . | P | Polyproline II helix | trans | -55 | 148.8 | 159.1 | -19.5 | 32.1 | 0 | 0 | 0 | 110.1 | C1174 | C1174-P1305 HydrophobicContact CB-CB 4.29Å; C1174-P1305 WeakPolarHBondContact CB-O 3.32Å |
| 1306 | P | 86.2 | Confident | 76.8 | Confident | 67 Ų | 67 | 58.3 Ų | 58.3 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | P | Polyproline II helix | trans | -66.9 | 148.1 | 171.1 | 29 | -34.5 | 0 | 0 | 0 | 110.9 | H1291 | H1291-P1306 HydrophobicContact CB-CB 4.3Š|
| 1307 | S | 89.7 | Confident | 78.1 | Confident | 10 Ų | 10 | 55 Ų | 55 | 7% | 0.07 | 33% | 0.328 | C | S | . | . | P | Polyproline II helix | trans | -57.7 | 166.4 | 169.9 | 70.5 | 0 | 0 | 0 | 0 | 111.9 | L1178 V1292 | L1178-S1307 VanDerWaalsContact CD2-OG 3.28Å; L1178-S1307 WeakPolarHBondContact CD2-OG 3.19Å; V1292-S1307 PolarHBondContact N-OG 2.7Å; V1292-S1307 PolarHBondContact O-N 2.96Å |
| 1308 | A | 86.7 | Confident | 80 | Confident | 87 Ų | 87 | 57.2 Ų | 57.2 | 72% | 0.719 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -52.1 | 146.5 | 160.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | L1310 | A1308-L1310 PolarHBondContact O-N 3.1Š|
| 1309 | Q | 89.4 | Confident | 81.9 | Confident | 105 Ų | 105 | 51.2 Ų | 51.2 | 49% | 0.491 | 31% | 0.305 | S | S | . | . | P | Polyproline II helix | trans | -75.8 | 120.5 | -178.8 | -69.3 | -177.8 | -1.3 | 0 | 0 | 110.7 | F1266 F1290 | F1266-Q1309 HydrophobicContact CZ-CG 4.44Å; F1290-Q1309 CarbonylContact O-C 3.57Å; F1290-Q1309 WeakPolarHBondContact O-CA 3.46Å |
| 1310 | L | 91.1 | Very high | 83.6 | Confident | 31 Ų | 31 | 48.1 Ų | 48.1 | 16% | 0.162 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 112.2 | 169.7 | 172.1 | 68.3 | 0 | 0 | 0 | 108.8 | L1178 R1179 C1180 I1190 A1289 F1290 A1308 | L1178-L1310 HydrophobicContact CD2-CB 3.71Å; L1178-L1310 HydrophobicContact CG-CB 3.82Å; L1178-L1310 HydrophobicContact CG-CD2 4.01Å; R1179-L1310 VanDerWaalsContact C-CD2 3.44Å; C1180-L1310 HydrophobicContact CB-CD2 4.22Å; I1190-L1310 HydrophobicContact CD1-CD2 4Å; I1190-L1310 HydrophobicContact CG2-CD2 4.03Å; A1289-L1310 CarbonylContact C-O 3.55Å; A1289-L1310 WeakPolarHBondContact CA-O 3.33Å; F1290-L1310 HydrophobicContact CB-CB 4.46Å; F1290-L1310 PolarHBondContact N-O 2.9Å; F1290-L1310 PolarHBondContact O-N 2.94Å; A1308-L1310 PolarHBondContact O-N 3.1Å |
| 1311 | V | 92 | Very high | 85.3 | Confident | 76 Ų | 76 | 46.2 Ų | 46.2 | 46% | 0.461 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 130.2 | 170.7 | -179.6 | 0 | 0 | 0 | 0 | 109.2 | W1263 A1289 | W1263-V1311 HydrophobicContact CH2-CG1 3.82Å; W1263-V1311 HydrophobicContact CH2-CG2 4.29Å; W1263-V1311 HydrophobicContact CZ2-CB 4.44Å; W1263-V1311 HydrophobicContact CZ2-CG1 3.89Å; W1263-V1311 HydrophobicContact CZ2-CG2 3.67Å; A1289-V1311 HydrophobicContact CB-CG2 4.4Å |
| 1312 | C | 89.8 | Confident | 86.6 | Confident | 19 Ų | 19 | 44.3 Ų | 44.3 | 13% | 0.128 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.4 | 149.3 | -179.5 | -78.5 | 0 | 0 | 0 | 0 | 111.3 | C1180 L1188 Y1288 F1290 | C1180-C1312 WeakPolarHBondContact CB-SG 3.3Å; L1188-C1312 HydrophobicContact CD1-CB 3.84Å; L1188-C1312 HydrophobicContact CD2-CB 4.45Å; Y1288-C1312 PolarHBondContact N-O 3.5Å; Y1288-C1312 PolarHBondContact O-N 2.8Å; Y1288-C1312 VanDerWaalsContact O-O 3.13Å; F1290-C1312 HydrophobicContact CE2-CB 4.39Å |
| 1313 | R | 90.5 | Very high | 87.7 | Confident | 112 Ų | 112 | 46.1 Ų | 46.1 | 42% | 0.423 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 134.7 | 179 | -161.7 | 168.4 | 176.5 | 130.5 | -2.1 | 109.5 | S1183 D1285 S1286 E1287 | S1183-R1313 PolarHBondContact OG-O 3.25Å; D1285-R1313 PolarHBondContact O-NH2 2.98Å; D1285-R1313 IonicContact OD1-CZ 3.26Å; D1285-R1313 VanDerWaalsContact OD1-CZ 3.27Å; D1285-R1313 IonicContact OD1-NE 2.74Å; D1285-R1313 PolarHBondContact OD1-NE 2.9Å; D1285-R1313 IonicContact OD1-NH2 2.9Å; D1285-R1313 PolarHBondContact OD1-NH2 2.97Å; D1285-R1313 IonicContact OD2-CZ 3.55Å; D1285-R1313 IonicContact OD2-NH2 3.55Å; D1285-R1313 PolarHBondContact OD2-NH2 2.94Å; S1286-R1313 WeakPolarHBondContact O-CA 3.45Å; E1287-R1313 HydrophobicContact CG-CB 4.09Å; E1287-R1313 HydrophobicContact CG-CG 3.76Å; E1287-R1313 IonicContact OE1-CZ 2.59Å; E1287-R1313 IonicContact OE1-NH1 2.8Å; E1287-R1313 PolarHBondContact OE1-NH1 2.77Å |
| 1314 | T | 90.4 | Very high | 88.3 | Confident | 3 Ų | 3 | 48.5 Ų | 48.5 | 2% | 0.018 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 155.6 | 168 | 41.5 | 0 | 0 | 0 | 0 | 110.3 | T1184 L1188 L1282 L1283 D1285 S1286 Y1288 | T1184-T1314 WeakPolarHBondContact O-CA 3.24Å; T1184-T1314 WeakPolarHBondContact O-CB 3.39Å; L1188-T1314 HydrophobicContact CD1-CG2 4.32Å; L1188-T1314 HydrophobicContact CD2-CG2 4.31Å; L1188-T1314 HydrophobicContact CG-CG2 4.02Å; L1282-T1314 HydrophobicContact CB-CG2 3.74Å; L1282-T1314 HydrophobicContact CD1-CG2 3.89Å; L1282-T1314 HydrophobicContact CG-CG2 4.49Å; L1283-T1314 WeakPolarHBondContact O-CB 3.39Å; L1283-T1314 PolarHBondContact O-OG1 3.42Å; D1285-T1314 PolarHBondContact N-OG1 2.67Å; S1286-T1314 PolarHBondContact N-OG1 2.9Å; S1286-T1314 PolarHBondContact O-N 3.44Å; S1286-T1314 PolarHBondContact O-OG1 2.74Å; Y1288-T1314 HydrophobicContact CE2-CG2 4.26Å |
| 1315 | Q | 88.2 | Confident | 88.7 | Confident | 103 Ų | 103 | 49.5 Ų | 49.5 | 48% | 0.481 | 29% | 0.287 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 159 | 172.7 | -60.7 | -64.8 | -18.5 | 0 | 0 | 110.9 | T1184 A1185 D1285 | T1184-Q1315 PolarHBondContact O-N 3.02Å; A1185-Q1315 WeakPolarHBondContact CA-O 3.12Å; D1285-Q1315 PolarHBondContact N-O 2.89Å |
| 1316 | P | 87 | Confident | 89.1 | Confident | 34 Ų | 34 | 49.1 Ų | 49.1 | 22% | 0.221 | 28% | 0.284 | C | S | . | . | P | Polyproline II helix | trans | -61 | 151.2 | 163.4 | -21 | 33.8 | 0 | 0 | 0 | 111.3 | H1345 R1347 | P1316-H1345 WeakPolarHBondContact CA-O 3.35Å; P1316-R1347 HydrophobicContact CB-CG 3.93Å |
| 1317 | G | 85.4 | Confident | 89.3 | Confident | 1 Ų | 1 | 46.9 Ų | 46.9 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | trans | -138 | 173.9 | -174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | H1345 N1395 | G1317-H1345 PolarHBondContact N-O 2.82Å; G1317-N1395 PolarHBondContact O-ND2 3.13Å | ||
| 1318 | P | 88.3 | Confident | 89.2 | Confident | 50 Ų | 50 | 52.2 Ų | 52.2 | 33% | 0.325 | 30% | 0.295 | S | S | . | . | P | Polyproline II helix | trans | -57.5 | 149.2 | 171.5 | -19.6 | 31.3 | 0 | 0 | 0 | 110.9 | H1345 V1399 | P1318-H1345 PolarHBondContact O-ND1 2.85Å; P1318-V1399 WeakPolarHBondContact CB-O 2.96Å |
| 1319 | P | 89.2 | Confident | 89.2 | Confident | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 166.3 | -171.2 | 31.4 | -35.6 | 0 | 0 | 0 | 112.2 | P1342 V1349 A1393 N1395 G1398 G1400 P1401 | P1319-P1342 HydrophobicContact CB-CG 4.25Å; P1319-V1349 HydrophobicContact CB-CG2 4.04Å; P1319-A1393 HydrophobicContact CB-CB 4.08Å; P1319-A1393 HydrophobicContact CG-CB 3.59Å; P1319-N1395 HydrophobicContact CG-CB 4.46Å; P1319-G1398 WeakPolarHBondContact CD-O 3.45Å; P1319-G1400 WeakPolarHBondContact O-CA 3.44Å; P1319-P1401 WeakPolarHBondContact O-CD 3.12Å |
| 1320 | G | 85.1 | Confident | 89 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 173.3 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | P1342 V1343 H1345 | G1320-P1342 VanDerWaalsContact C-CB 3.49Å; G1320-P1342 WeakPolarHBondContact O-CB 3.11Å; G1320-P1342 WeakPolarHBondContact O-CG 3.35Å; G1320-V1343 PolarHBondContact N-O 2.88Å; G1320-H1345 PolarHBondContact N-CE1 2.87Å; G1320-H1345 PolarHBondContact N-ND1 3.23Å |
| 1321 | C | 89.7 | Confident | 88.6 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 41% | 0.412 | 28% | 0.278 | S | S | . | . | P | Polyproline II helix | trans | -67.5 | 131.9 | 169.3 | 53.8 | 0 | 0 | 0 | 0 | 110.6 | P1401 | C1321-P1401 WeakPolarHBondContact CA-O 3.16Å; C1321-P1401 HydrophobicContact CB-CG 4.04Å |
| 1322 | P | 90.9 | Very high | 88.2 | Confident | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.026 | 27% | 0.27 | C | S | . | . | P | Polyproline II helix | trans | -54 | 142.6 | 169.6 | -27.4 | 37.3 | 0 | 0 | 0 | 111.5 | Y1352 V1391 A1393 A1403 | P1322-Y1352 HydrophobicContact CG-CD1 4.12Å; P1322-Y1352 HydrophobicContact CG-CE1 4.2Å; P1322-V1391 HydrophobicContact CB-CG1 4.34Å; P1322-V1391 HydrophobicContact CG-CG1 4.11Å; P1322-A1393 HydrophobicContact CG-CB 4.21Å; P1322-A1403 HydrophobicContact CB-CB 4.5Å; P1322-A1403 WeakPolarHBondContact O-CB 3.3Å |
| 1323 | V | 88.9 | Confident | 88.1 | Confident | 61 Ų | 61 | 54 Ų | 54 | 37% | 0.37 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 168.1 | -173.5 | -58.1 | 0 | 0 | 0 | 0 | 111.6 | L1325 E1340 | V1323-L1325 VanDerWaalsContact C-N 3.28Å; V1323-L1325 PolarHBondContact O-N 3.17Å; V1323-L1325 VanDerWaalsContact O-N 3.16Å; V1323-E1340 HydrophobicContact CG2-CB 3.61Å; V1323-E1340 PolarHBondContact N-O 3.41Å; V1323-E1340 PolarHBondContact O-N 2.92Å |
| 1324 | N | 89.5 | Confident | 88.1 | Confident | 104 Ų | 104 | 52.4 Ų | 52.4 | 56% | 0.556 | 29% | 0.285 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 51.1 | 38.8 | 177 | -61.9 | -10.3 | 0 | 0 | 0 | 115.2 | T1326 E1340 | N1324-T1326 PolarHBondContact O-N 2.88Å; N1324-E1340 HydrophobicContact CB-CB 4.5Å; N1324-E1340 HydrophobicContact CB-CG 4.33Å; N1324-E1340 PolarHBondContact ND2-OE1 3.48Å; N1324-E1340 PolarHBondContact ND2-OE2 2.59Å |
| 1325 | L | 91.3 | Very high | 88.2 | Confident | 25 Ų | 25 | 52.3 Ų | 52.3 | 13% | 0.131 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 119.9 | 177 | -174.2 | 69.5 | 0 | 0 | 0 | 111.7 | V1323 L1337 T1338 W1339 V1391 A1403 I1406 | V1323-L1325 VanDerWaalsContact C-N 3.28Å; V1323-L1325 PolarHBondContact O-N 3.17Å; V1323-L1325 VanDerWaalsContact O-N 3.16Å; L1325-L1337 HydrophobicContact CD1-CD1 3.82Å; L1325-L1337 HydrophobicContact CD1-CD2 4.21Å; L1325-L1337 HydrophobicContact CD1-CG 3.9Å; L1325-L1337 HydrophobicContact CG-CD1 4.34Å; L1325-T1338 CarbonylContact C-O 3.55Å; L1325-T1338 WeakPolarHBondContact CA-O 3.31Å; L1325-W1339 HydrophobicContact CD1-CB 3.97Å; L1325-W1339 HydrophobicContact CD1-CE3 4.42Å; L1325-V1391 HydrophobicContact CD1-CB 4.24Å; L1325-V1391 HydrophobicContact CD1-CG2 3.6Å; L1325-A1403 HydrophobicContact CB-CB 4.47Å; L1325-A1403 HydrophobicContact CD2-CB 4.09Å; L1325-I1406 HydrophobicContact CD2-CB 4.45Å; L1325-I1406 HydrophobicContact CD2-CG2 3.9Å; L1325-I1406 HydrophobicContact CG-CG2 4.07Å |
| 1326 | T | 91.5 | Very high | 88.4 | Confident | 67 Ų | 67 | 49.4 Ų | 49.4 | 41% | 0.411 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 150.9 | 175.9 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | N1324 L1337 T1338 | N1324-T1326 PolarHBondContact O-N 2.88Å; T1326-L1337 WeakPolarHBondContact O-CA 3.35Å; T1326-T1338 PolarHBondContact N-O 2.95Å; T1326-T1338 PolarHBondContact O-N 3.39Å; T1326-T1338 PolarHBondContact OG1-OG1 2.84Å |
| 1327 | A | 91 | Very high | 88.7 | Confident | 20 Ų | 20 | 47.8 Ų | 47.8 | 17% | 0.165 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 122.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | I1335 L1336 L1337 F1389 I1406 A1408 | A1327-I1335 HydrophobicContact CB-CG2 4.29Å; A1327-L1336 CarbonylContact C-O 3.43Å; A1327-L1336 VanDerWaalsContact CA-O 3.26Å; A1327-L1336 WeakPolarHBondContact CA-O 3.38Å; A1327-L1337 HydrophobicContact CB-CD1 3.82Å; A1327-F1389 HydrophobicContact CB-CD2 4.32Å; A1327-I1406 HydrophobicContact CB-CD1 4.19Å; A1327-I1406 HydrophobicContact CB-CG1 4.4Å; A1327-I1406 HydrophobicContact CB-CG2 3.81Å; A1327-A1408 HydrophobicContact CB-CB 3.98Å |
| 1328 | E | 87.6 | Confident | 89.2 | Confident | 122 Ų | 122 | 49.4 Ų | 49.4 | 57% | 0.57 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.6 | -175.5 | -61.5 | -166.2 | 148.8 | 0 | 0 | 111.7 | L1330 I1335 L1336 | E1328-L1330 PolarHBondContact O-N 2.91Å; E1328-I1335 CarbonylContact O-C 3.58Å; E1328-I1335 WeakPolarHBondContact O-CA 3.44Å; E1328-L1336 PolarHBondContact N-O 2.83Å; E1328-L1336 PolarHBondContact O-N 2.89Å |
| 1329 | P | 85.6 | Confident | 89.4 | Confident | 59 Ų | 59 | 47.5 Ų | 47.5 | 38% | 0.383 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.8 | 177.6 | 30.2 | -32.6 | 0 | 0 | 0 | 111.3 | I1335 V1409 L1411 | P1329-I1335 HydrophobicContact CB-CG1 4.3Å; P1329-V1409 WeakPolarHBondContact CB-O 3.46Å; P1329-L1411 HydrophobicContact CB-CD2 4.5Å; P1329-L1411 HydrophobicContact CG-CD2 4.48Å |
| 1330 | L | 85.5 | Confident | 89.6 | Confident | 89 Ų | 89 | 52 Ų | 52 | 47% | 0.466 | 28% | 0.279 | S | S | . | . | trans | -84.3 | -37 | 179.1 | -62.4 | -177.3 | 0 | 0 | 0 | 112 | E1328 E1334 L1336 T1377 | E1328-L1330 PolarHBondContact O-N 2.91Å; L1330-E1334 HydrophobicContact CB-CB 4.03Å; L1330-E1334 PolarHBondContact N-O 2.81Å; L1330-L1336 HydrophobicContact CD1-CB 4.05Å; L1330-L1336 HydrophobicContact CD2-CB 4.09Å; L1330-L1336 HydrophobicContact CG-CB 3.98Å; L1330-T1377 HydrophobicContact CD1-CG2 3.86Å | ||
| 1331 | S | 83.9 | Confident | 89.8 | Confident | 24 Ų | 24 | 54.2 Ų | 54.2 | 17% | 0.168 | 30% | 0.295 | C | S | . | . | S | Bend | trans | -151.8 | -164.9 | -174.5 | 83.4 | 0 | 0 | 0 | 0 | 113.5 | Y1333 E1334 L1411 | S1331-Y1333 PolarHBondContact O-N 3.07Å; S1331-Y1333 PolarHBondContact OG-N 3.43Å; S1331-E1334 WeakPolarHBondContact CB-OE2 3.49Å; S1331-E1334 PolarHBondContact N-O 2.79Å; S1331-E1334 WeakPolarHBondContact OG-CB 3.45Å; S1331-E1334 PolarHBondContact OG-N 2.95Å; S1331-E1334 PolarHBondContact OG-OE2 2.81Å; S1331-L1411 WeakPolarHBondContact O-CG 3.04Å; S1331-L1411 PolarHBondContact O-N 3.15Å |
| 1332 | L | 83.8 | Confident | 89.8 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 29% | 0.293 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -67.7 | -20.2 | 168.9 | -68.3 | 173.5 | 0 | 0 | 0 | 112.6 | P1383 L1411 | L1332-P1383 HydrophobicContact CB-CB 4.5Å; L1332-P1383 HydrophobicContact CB-CG 4.23Å; L1332-P1383 HydrophobicContact CD2-CB 4.49Å; L1332-P1383 VanDerWaalsContact O-CA 3.31Å; L1332-P1383 WeakPolarHBondContact O-CA 3.37Å; L1332-P1383 WeakPolarHBondContact O-CG 3.3Å; L1332-L1411 HydrophobicContact CD2-CB 3.98Å; L1332-L1411 WeakPolarHBondContact CD2-O 3.13Å |
| 1333 | Y | 87.9 | Confident | 89.6 | Confident | 127 Ų | 127 | 55.4 Ų | 55.4 | 50% | 0.498 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -131.7 | 2.6 | -170 | -49.5 | -84.1 | 0 | 0 | 0 | 113.9 | S1331 D1379 S1380 L1381 P1383 | S1331-Y1333 PolarHBondContact O-N 3.07Å; S1331-Y1333 PolarHBondContact OG-N 3.43Å; Y1333-D1379 CarbonylContact O-C 3.56Å; Y1333-S1380 PolarHBondContact O-N 3.29Å; Y1333-L1381 WeakPolarHBondContact CA-O 3.31Å; Y1333-L1381 VanDerWaalsContact CD1-O 3.29Å; Y1333-L1381 WeakPolarHBondContact CD1-O 3.37Å; Y1333-L1381 WeakPolarHBondContact O-CB 3.26Å; Y1333-L1381 PolarHBondContact O-N 3.42Å; Y1333-P1383 HydrophobicContact CD1-CG 3.93Å; Y1333-P1383 HydrophobicContact CE1-CG 3.44Å; Y1333-P1383 VanDerWaalsContact CE1-CG 3.44Å |
| 1334 | E | 90 | Very high | 89.4 | Confident | 80 Ų | 80 | 55.7 Ų | 55.7 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | trans | -136.5 | 137.5 | -170.3 | -64.9 | 155.2 | 120.7 | 0 | 0 | 112.6 | L1330 S1331 T1377 F1378 D1379 | L1330-E1334 HydrophobicContact CB-CB 4.03Å; L1330-E1334 PolarHBondContact N-O 2.81Å; S1331-E1334 WeakPolarHBondContact CB-OE2 3.49Å; S1331-E1334 PolarHBondContact N-O 2.79Å; S1331-E1334 WeakPolarHBondContact OG-CB 3.45Å; S1331-E1334 PolarHBondContact OG-N 2.95Å; S1331-E1334 PolarHBondContact OG-OE2 2.81Å; E1334-T1377 HydrophobicContact CB-CG2 4.39Å; E1334-F1378 VanDerWaalsContact CA-O 3.29Å; E1334-F1378 WeakPolarHBondContact CA-O 3.14Å; E1334-D1379 HydrophobicContact CG-CB 4.34Å | ||
| 1335 | I | 91.8 | Very high | 89.2 | Confident | 0 Ų | 0 | 52.4 Ų | 52.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 127.9 | 172.2 | -65.2 | 174.1 | 0 | 0 | 0 | 109.2 | A1327 E1328 P1329 F1378 L1381 Y1387 F1389 A1408 T1410 | A1327-I1335 HydrophobicContact CB-CG2 4.29Å; E1328-I1335 CarbonylContact O-C 3.58Å; E1328-I1335 WeakPolarHBondContact O-CA 3.44Å; P1329-I1335 HydrophobicContact CB-CG1 4.3Å; I1335-F1378 PolarHBondContact N-O 3.3Å; I1335-F1378 PolarHBondContact O-N 2.83Å; I1335-L1381 HydrophobicContact CB-CD1 3.78Å; I1335-L1381 HydrophobicContact CD1-CD1 3.72Å; I1335-L1381 HydrophobicContact CG1-CD1 3.63Å; I1335-Y1387 HydrophobicContact CD1-CD2 4.23Å; I1335-F1389 HydrophobicContact CB-CZ 3.99Å; I1335-F1389 HydrophobicContact CD1-CE2 4.01Å; I1335-F1389 HydrophobicContact CD1-CZ 3.86Å; I1335-F1389 HydrophobicContact CG1-CZ 4.5Å; I1335-F1389 HydrophobicContact CG2-CE1 4.49Å; I1335-F1389 HydrophobicContact CG2-CE2 3.93Å; I1335-F1389 HydrophobicContact CG2-CZ 3.77Å; I1335-A1408 HydrophobicContact CD1-CB 3.96Å; I1335-A1408 HydrophobicContact CG2-CB 4.13Å; I1335-T1410 HydrophobicContact CD1-CG2 4.03Å; I1335-T1410 HydrophobicContact CG1-CG2 4.29Å |
| 1336 | L | 93.4 | Very high | 88.6 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 22% | 0.22 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.6 | 131.9 | 172.9 | 177.4 | 61.5 | 0 | 0 | 0 | 110.2 | A1327 E1328 L1330 T1338 | A1327-L1336 CarbonylContact C-O 3.43Å; A1327-L1336 VanDerWaalsContact CA-O 3.26Å; A1327-L1336 WeakPolarHBondContact CA-O 3.38Å; E1328-L1336 PolarHBondContact N-O 2.83Å; E1328-L1336 PolarHBondContact O-N 2.89Å; L1330-L1336 HydrophobicContact CD1-CB 4.05Å; L1330-L1336 HydrophobicContact CD2-CB 4.09Å; L1330-L1336 HydrophobicContact CG-CB 3.98Å; L1336-T1338 HydrophobicContact CD1-CG2 4.26Å; L1336-T1338 HydrophobicContact CD2-CG2 4.3Å; L1336-T1338 HydrophobicContact CG-CG2 4.02Å |
| 1337 | L | 93.6 | Very high | 88.4 | Confident | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 135.8 | 173.7 | -166.4 | 72 | 0 | 0 | 0 | 109.7 | L1325 T1326 A1327 W1339 T1375 Y1376 F1378 F1389 V1391 I1406 | L1325-L1337 HydrophobicContact CD1-CD1 3.82Å; L1325-L1337 HydrophobicContact CD1-CD2 4.21Å; L1325-L1337 HydrophobicContact CD1-CG 3.9Å; L1325-L1337 HydrophobicContact CG-CD1 4.34Å; T1326-L1337 WeakPolarHBondContact O-CA 3.35Å; A1327-L1337 HydrophobicContact CB-CD1 3.82Å; L1337-W1339 HydrophobicContact CB-CZ3 4.44Å; L1337-W1339 HydrophobicContact CD2-CE3 4.42Å; L1337-W1339 HydrophobicContact CD2-CZ3 4.27Å; L1337-W1339 HydrophobicContact CG-CE3 4.26Å; L1337-W1339 HydrophobicContact CG-CZ3 4.29Å; L1337-T1375 CarbonylContact O-C 3.59Å; L1337-T1375 WeakPolarHBondContact O-CA 3.27Å; L1337-Y1376 WeakPolarHBondContact CB-O 3.07Å; L1337-Y1376 PolarHBondContact N-O 3.38Å; L1337-Y1376 PolarHBondContact O-N 3.3Å; L1337-F1378 HydrophobicContact CB-CD2 4.36Å; L1337-F1378 HydrophobicContact CB-CE2 4.21Å; L1337-F1378 HydrophobicContact CD2-CE2 3.8Å; L1337-F1389 HydrophobicContact CD1-CB 3.57Å; L1337-F1389 HydrophobicContact CD1-CD1 4.34Å; L1337-F1389 HydrophobicContact CD1-CG 3.93Å; L1337-F1389 HydrophobicContact CD2-CB 4Å; L1337-F1389 HydrophobicContact CD2-CD1 4.29Å; L1337-F1389 HydrophobicContact CD2-CG 4.48Å; L1337-F1389 HydrophobicContact CG-CB 4.47Å; L1337-V1391 HydrophobicContact CD2-CG2 3.6Å; L1337-I1406 HydrophobicContact CD1-CG2 4.08Å |
| 1338 | T | 94.3 | Very high | 88.2 | Confident | 36 Ų | 36 | 57.3 Ų | 57.3 | 22% | 0.221 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 147.5 | 178.4 | 67 | 0 | 0 | 0 | 0 | 111.4 | L1325 T1326 L1336 L1374 T1375 | L1325-T1338 CarbonylContact C-O 3.55Å; L1325-T1338 WeakPolarHBondContact CA-O 3.31Å; T1326-T1338 PolarHBondContact N-O 2.95Å; T1326-T1338 PolarHBondContact O-N 3.39Å; T1326-T1338 PolarHBondContact OG1-OG1 2.84Å; L1336-T1338 HydrophobicContact CD1-CG2 4.26Å; L1336-T1338 HydrophobicContact CD2-CG2 4.3Å; L1336-T1338 HydrophobicContact CG-CG2 4.02Å; T1338-L1374 WeakPolarHBondContact CA-O 3.47Å; T1338-T1375 HydrophobicContact CG2-CG2 3.55Å |
| 1339 | W | 94 | Very high | 88.3 | Confident | 10 Ų | 10 | 52.8 Ų | 52.8 | 4% | 0.038 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.8 | 171.5 | -179.7 | 60.1 | 94.2 | 0 | 0 | 0 | 112 | L1325 L1337 Y1352 L1354 V1369 I1373 L1374 V1391 | L1325-W1339 HydrophobicContact CD1-CB 3.97Å; L1325-W1339 HydrophobicContact CD1-CE3 4.42Å; L1337-W1339 HydrophobicContact CB-CZ3 4.44Å; L1337-W1339 HydrophobicContact CD2-CE3 4.42Å; L1337-W1339 HydrophobicContact CD2-CZ3 4.27Å; L1337-W1339 HydrophobicContact CG-CE3 4.26Å; L1337-W1339 HydrophobicContact CG-CZ3 4.29Å; W1339-Y1352 HydrophobicContact CZ2-CD2 4.18Å; W1339-Y1352 HydrophobicContact CZ2-CG 4.26Å; W1339-Y1352 AromaticContact NE1-CD1 3.53Å; W1339-Y1352 AromaticContact NE1-CD2 3.64Å; W1339-Y1352 AromaticContact NE1-CE1 3.62Å; W1339-Y1352 AromaticContact NE1-CE2 3.73Å; W1339-Y1352 AromaticContact NE1-CG 3.56Å; W1339-Y1352 AromaticContact NE1-CZ 3.75Å; W1339-L1354 HydrophobicContact CH2-CD1 3.84Å; W1339-L1354 HydrophobicContact CH2-CD2 3.46Å; W1339-L1354 VanDerWaalsContact CH2-CD2 3.46Å; W1339-L1354 HydrophobicContact CH2-CG 4.32Å; W1339-L1354 HydrophobicContact CZ2-CD2 3.67Å; W1339-L1354 HydrophobicContact CZ3-CD1 4.27Å; W1339-L1354 HydrophobicContact CZ3-CD2 3.94Å; W1339-V1369 HydrophobicContact CH2-CG2 4.28Å; W1339-V1369 HydrophobicContact CZ2-CG2 3.98Å; W1339-I1373 HydrophobicContact CH2-CG2 4.49Å; W1339-I1373 VanDerWaalsContact CZ2-O 3.29Å; W1339-I1373 WeakPolarHBondContact CZ2-O 3.42Å; W1339-L1374 PolarHBondContact N-O 2.85Å; W1339-L1374 WeakPolarHBondContact O-CB 3.11Å; W1339-V1391 HydrophobicContact CD2-CG1 4.05Å; W1339-V1391 HydrophobicContact CD2-CG2 4.48Å; W1339-V1391 HydrophobicContact CE3-CG2 4.23Å; W1339-V1391 HydrophobicContact CG-CG1 4.22Å |
| 1340 | E | 92.8 | Very high | 88.6 | Confident | 96 Ų | 96 | 54 Ų | 54 | 45% | 0.449 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 152.1 | 172.9 | -81.6 | 172.7 | -141.4 | 0 | 0 | 111.7 | V1323 N1324 | V1323-E1340 HydrophobicContact CG2-CB 3.61Å; V1323-E1340 PolarHBondContact N-O 3.41Å; V1323-E1340 PolarHBondContact O-N 2.92Å; N1324-E1340 HydrophobicContact CB-CB 4.5Å; N1324-E1340 HydrophobicContact CB-CG 4.33Å; N1324-E1340 PolarHBondContact ND2-OE1 3.48Å; N1324-E1340 PolarHBondContact ND2-OE2 2.59Å |
| 1341 | A | 89.3 | Confident | 88.9 | Confident | 55 Ų | 55 | 50.7 Ų | 50.7 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | trans | -65.7 | 137.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1352 L1374 | A1341-Y1352 WeakPolarHBondContact CA-OH 3.47Å; A1341-Y1352 WeakPolarHBondContact CB-OH 3.37Å; A1341-L1374 HydrophobicContact CB-CD2 4.33Å | ||
| 1342 | P | 89.4 | Confident | 89.4 | Confident | 18 Ų | 18 | 49.7 Ų | 49.7 | 12% | 0.117 | 27% | 0.268 | C | S | . | . | trans | -78.2 | 175.7 | 176.3 | 33.3 | -36.5 | 0 | 0 | 0 | 112.9 | P1319 G1320 V1349 A1393 | P1319-P1342 HydrophobicContact CB-CG 4.25Å; G1320-P1342 VanDerWaalsContact C-CB 3.49Å; G1320-P1342 WeakPolarHBondContact O-CB 3.11Å; G1320-P1342 WeakPolarHBondContact O-CG 3.35Å; P1342-V1349 HydrophobicContact CG-CG2 4.16Å; P1342-A1393 HydrophobicContact CG-CB 3.59Å | ||
| 1343 | V | 85.7 | Confident | 89.8 | Confident | 72 Ų | 72 | 48.5 Ų | 48.5 | 44% | 0.436 | 26% | 0.262 | S | S | . | . | trans | -63.5 | 133.5 | 163.7 | -170.9 | 0 | 0 | 0 | 0 | 109.1 | G1320 | G1320-V1343 PolarHBondContact N-O 2.88Š| ||
| 1344 | D | 85.4 | Confident | 90.1 | Very high | 68 Ų | 68 | 42.5 Ų | 42.5 | 36% | 0.364 | 24% | 0.239 | S | C | . | . | trans | -78.1 | -18 | -172.7 | 67.7 | 1.3 | 0 | 0 | 0 | 114.3 | G1346 R1347 N1395 | D1344-G1346 PolarHBondContact O-N 2.77Å; D1344-G1346 PolarHBondContact OD1-N 2.81Å; D1344-R1347 PolarHBondContact O-N 2.9Å; D1344-N1395 PolarHBondContact O-ND2 3.18Å | ||
| 1345 | H | 85 | Confident | 90 | Very high | 34 Ų | 34 | 39.5 Ų | 39.5 | 16% | 0.157 | 23% | 0.225 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 35 | -179.9 | -67.7 | 163.2 | 0 | 0 | 0 | 113.6 | P1284 P1316 G1317 P1318 G1320 | P1284-H1345 HydrophobicContact CB-CB 3.72Å; P1284-H1345 HydrophobicContact CG-CB 3.92Å; P1316-H1345 WeakPolarHBondContact CA-O 3.35Å; G1317-H1345 PolarHBondContact N-O 2.82Å; P1318-H1345 PolarHBondContact O-ND1 2.85Å; G1320-H1345 PolarHBondContact N-CE1 2.87Å; G1320-H1345 PolarHBondContact N-ND1 3.23Å |
| 1346 | G | 79.3 | Confident | 89.9 | Confident | 23 Ų | 23 | 40 Ų | 40 | 24% | 0.237 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 87.4 | 1.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | D1344 | D1344-G1346 PolarHBondContact O-N 2.77Å; D1344-G1346 PolarHBondContact OD1-N 2.81Å |
| 1347 | R | 87 | Confident | 89.5 | Confident | 110 Ų | 110 | 39 Ų | 39 | 42% | 0.415 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -136.7 | 130 | 166.5 | -67.8 | -61 | 176.7 | 131.9 | -6.9 | 110.3 | P1316 D1344 N1395 E1396 | P1316-R1347 HydrophobicContact CB-CG 3.93Å; D1344-R1347 PolarHBondContact O-N 2.9Å; R1347-N1395 HydrophobicContact CB-CB 4.15Å; R1347-N1395 WeakPolarHBondContact O-CB 3.32Å; R1347-N1395 PolarHBondContact O-ND2 3Å; R1347-E1396 HydrophobicContact CB-CB 4.39Å; R1347-E1396 WeakPolarHBondContact CD-OE2 3.19Å; R1347-E1396 HydrophobicContact CG-CB 4.37Å; R1347-E1396 IonicContact CZ-OE2 3.78Å; R1347-E1396 IonicContact NE-OE2 3.39Å; R1347-E1396 IonicContact NH1-OE2 2.69Å; R1347-E1396 PolarHBondContact NH1-OE2 2.85Å |
| 1348 | P | 87.9 | Confident | 88.8 | Confident | 83 Ų | 83 | 40.5 Ų | 40.5 | 54% | 0.539 | 23% | 0.232 | S | C | . | . | trans | -59.6 | 142.9 | -174.1 | 26.1 | -35.2 | 0 | 0 | 0 | 111.4 | V1350 N1395 | P1348-V1350 PolarHBondContact O-N 3.16Å; P1348-N1395 VanDerWaalsContact O-CB 3.22Å; P1348-N1395 WeakPolarHBondContact O-CB 3.16Å | ||
| 1349 | V | 89.3 | Confident | 87.8 | Confident | 27 Ų | 27 | 40.4 Ų | 40.4 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | trans | -60.8 | 133.2 | 172.4 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | P1319 P1342 S1351 Y1352 A1371 A1393 | P1319-V1349 HydrophobicContact CB-CG2 4.04Å; P1342-V1349 HydrophobicContact CG-CG2 4.16Å; V1349-S1351 WeakPolarHBondContact CG1-O 3.22Å; V1349-Y1352 HydrophobicContact CG1-CE1 4.21Å; V1349-Y1352 HydrophobicContact CG1-CE2 4.42Å; V1349-A1371 HydrophobicContact CB-CB 4.28Å; V1349-A1371 HydrophobicContact CG1-CB 3.97Å; V1349-A1371 WeakPolarHBondContact O-CB 3.07Å; V1349-A1393 HydrophobicContact CG1-CB 3.96Å; V1349-A1393 HydrophobicContact CG2-CB 4.28Å | ||
| 1350 | V | 91.2 | Very high | 86.4 | Confident | 84 Ų | 84 | 45 Ų | 45 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | trans | -105.3 | -35.6 | -178.3 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | P1348 A1371 C1394 | P1348-V1350 PolarHBondContact O-N 3.16Å; V1350-A1371 PolarHBondContact O-N 2.85Å; V1350-A1371 VanDerWaalsContact O-N 3.1Å; V1350-C1394 PolarHBondContact N-O 3.19Å | ||
| 1351 | S | 92.6 | Very high | 85 | Confident | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.6 | 166.6 | 178.4 | 58.9 | 0 | 0 | 0 | 0 | 112.8 | V1349 V1369 A1393 C1394 | V1349-S1351 WeakPolarHBondContact CG1-O 3.22Å; S1351-V1369 CarbonylContact C-O 3.56Å; S1351-V1369 VanDerWaalsContact CA-O 3.22Å; S1351-V1369 WeakPolarHBondContact CA-O 3.36Å; S1351-V1369 WeakPolarHBondContact CB-O 3.42Å; S1351-A1393 CarbonylContact O-C 3.55Å; S1351-C1394 PolarHBondContact N-O 3.14Å; S1351-C1394 PolarHBondContact O-N 3.12Å |
| 1352 | Y | 94.3 | Very high | 83.7 | Confident | 3 Ų | 3 | 47.9 Ų | 47.9 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 137.4 | 163.4 | -57.9 | -85.4 | 0 | 0 | 0 | 110 | P1322 W1339 A1341 V1349 V1368 V1369 I1373 L1374 V1391 Q1392 A1393 | P1322-Y1352 HydrophobicContact CG-CD1 4.12Å; P1322-Y1352 HydrophobicContact CG-CE1 4.2Å; W1339-Y1352 HydrophobicContact CZ2-CD2 4.18Å; W1339-Y1352 HydrophobicContact CZ2-CG 4.26Å; W1339-Y1352 AromaticContact NE1-CD1 3.53Å; W1339-Y1352 AromaticContact NE1-CD2 3.64Å; W1339-Y1352 AromaticContact NE1-CE1 3.62Å; W1339-Y1352 AromaticContact NE1-CE2 3.73Å; W1339-Y1352 AromaticContact NE1-CG 3.56Å; W1339-Y1352 AromaticContact NE1-CZ 3.75Å; A1341-Y1352 WeakPolarHBondContact CA-OH 3.47Å; A1341-Y1352 WeakPolarHBondContact CB-OH 3.37Å; V1349-Y1352 HydrophobicContact CG1-CE1 4.21Å; V1349-Y1352 HydrophobicContact CG1-CE2 4.42Å; Y1352-V1368 WeakPolarHBondContact O-CA 3.34Å; Y1352-V1369 HydrophobicContact CD2-CG2 4.3Å; Y1352-V1369 PolarHBondContact N-O 2.79Å; Y1352-V1369 PolarHBondContact O-N 2.83Å; Y1352-I1373 VanDerWaalsContact CD2-O 3.3Å; Y1352-I1373 WeakPolarHBondContact CD2-O 3.17Å; Y1352-I1373 WeakPolarHBondContact CE2-O 3.47Å; Y1352-L1374 HydrophobicContact CE2-CD2 3.88Å; Y1352-V1391 HydrophobicContact CD1-CG1 4.3Å; Y1352-Q1392 CarbonylContact C-O 3.5Å; Y1352-Q1392 VanDerWaalsContact CA-O 3.26Å; Y1352-Q1392 WeakPolarHBondContact CA-O 3.41Å; Y1352-A1393 HydrophobicContact CD1-CB 3.79Å; Y1352-A1393 HydrophobicContact CE1-CB 3.77Å |
| 1353 | N | 92.3 | Very high | 82.9 | Confident | 31 Ų | 31 | 51.6 Ų | 51.6 | 17% | 0.166 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 113.6 | 168.9 | -51.4 | -35.3 | 0 | 0 | 0 | 107.8 | V1391 Q1392 V1399 | N1353-V1391 WeakPolarHBondContact O-CA 3.09Å; N1353-Q1392 HydrophobicContact CB-CG 3.72Å; N1353-Q1392 PolarHBondContact N-O 2.73Å; N1353-Q1392 PolarHBondContact ND2-NE2 2.71Å; N1353-Q1392 VanDerWaalsContact ND2-NE2 3.19Å; N1353-Q1392 PolarHBondContact O-N 3Å; N1353-V1399 WeakPolarHBondContact ND2-CG1 3.28Å |
| 1354 | L | 92.8 | Very high | 82.3 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 148.4 | 173.8 | -31.5 | 179.2 | 0 | 0 | 0 | 108.3 | W1339 P1366 V1367 V1369 Y1376 F1378 R1390 V1391 | W1339-L1354 HydrophobicContact CH2-CD1 3.84Å; W1339-L1354 HydrophobicContact CH2-CD2 3.46Å; W1339-L1354 VanDerWaalsContact CH2-CD2 3.46Å; W1339-L1354 HydrophobicContact CH2-CG 4.32Å; W1339-L1354 HydrophobicContact CZ2-CD2 3.67Å; W1339-L1354 HydrophobicContact CZ3-CD1 4.27Å; W1339-L1354 HydrophobicContact CZ3-CD2 3.94Å; L1354-P1366 CarbonylContact O-C 3.55Å; L1354-P1366 WeakPolarHBondContact O-CA 3.45Å; L1354-V1367 HydrophobicContact CB-CB 4.32Å; L1354-V1367 HydrophobicContact CD1-CG1 4.47Å; L1354-V1367 PolarHBondContact N-O 2.87Å; L1354-V1367 PolarHBondContact O-N 3.35Å; L1354-V1369 HydrophobicContact CD1-CG1 4.01Å; L1354-V1369 HydrophobicContact CD1-CG2 4.31Å; L1354-V1369 HydrophobicContact CD2-CG2 4.07Å; L1354-V1369 HydrophobicContact CG-CG2 4.27Å; L1354-Y1376 HydrophobicContact CD1-CD1 3.68Å; L1354-Y1376 HydrophobicContact CD1-CD2 4.05Å; L1354-Y1376 HydrophobicContact CD1-CE1 4.41Å; L1354-Y1376 HydrophobicContact CD1-CG 3.47Å; L1354-Y1376 VanDerWaalsContact CD1-CG 3.47Å; L1354-F1378 HydrophobicContact CB-CZ 3.94Å; L1354-F1378 HydrophobicContact CD1-CE2 4.39Å; L1354-F1378 HydrophobicContact CD1-CZ 4.22Å; L1354-R1390 CarbonylContact C-O 3.57Å; L1354-R1390 WeakPolarHBondContact CA-O 3.47Å; L1354-V1391 HydrophobicContact CD2-CB 4.3Å; L1354-V1391 HydrophobicContact CD2-CG1 3.63Å; L1354-V1391 HydrophobicContact CD2-CG2 3.83Å |
| 1355 | E | 89.4 | Confident | 82.1 | Confident | 17 Ų | 17 | 50.9 Ų | 50.9 | 8% | 0.079 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 137.9 | 165.5 | -71.2 | -178.6 | -163 | 0 | 0 | 110.9 | P1364 P1366 F1389 R1390 Y1402 | E1355-P1364 HydrophobicContact CB-CB 4.31Å; E1355-P1364 HydrophobicContact CG-CB 4.18Å; E1355-P1364 WeakPolarHBondContact OE2-CB 3.36Å; E1355-P1366 HydrophobicContact CG-CB 4.2Å; E1355-F1389 WeakPolarHBondContact O-CA 3.29Å; E1355-R1390 HydrophobicContact CB-CG 3.92Å; E1355-R1390 PolarHBondContact N-O 3.16Å; E1355-R1390 PolarHBondContact O-N 2.8Å; E1355-R1390 VanDerWaalsContact O-N 3.07Å; E1355-R1390 IonicContact OE1-CZ 3.73Å; E1355-R1390 IonicContact OE1-NE 3.25Å; E1355-R1390 IonicContact OE1-NH2 3.96Å; E1355-R1390 PolarHBondContact OE1-NH2 2.65Å; E1355-R1390 IonicContact OE2-CZ 3.18Å; E1355-R1390 IonicContact OE2-NE 2.8Å; E1355-R1390 PolarHBondContact OE2-NE 2.92Å; E1355-R1390 IonicContact OE2-NH2 3.68Å; E1355-R1390 PolarHBondContact OE2-NH2 2.94Å; E1355-Y1402 PolarHBondContact OE1-OH 3.16Å |
| 1356 | V | 89.3 | Confident | 81.9 | Confident | 11 Ų | 11 | 53.8 Ų | 53.8 | 7% | 0.067 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 130.5 | 165 | 61.6 | 0 | 0 | 0 | 0 | 109.5 | S1365 F1378 L1381 Y1387 R1388 F1389 | V1356-S1365 PolarHBondContact N-O 2.57Å; V1356-S1365 PolarHBondContact O-N 2.78Å; V1356-F1378 HydrophobicContact CB-CD1 3.8Å; V1356-F1378 HydrophobicContact CB-CE1 3.65Å; V1356-F1378 HydrophobicContact CB-CG 4.45Å; V1356-F1378 HydrophobicContact CB-CZ 4.19Å; V1356-F1378 HydrophobicContact CG1-CD1 3.56Å; V1356-F1378 HydrophobicContact CG1-CE1 3.5Å; V1356-F1378 VanDerWaalsContact CG1-CE1 3.5Å; V1356-F1378 HydrophobicContact CG1-CZ 4.47Å; V1356-F1378 HydrophobicContact CG2-CD1 4.49Å; V1356-L1381 HydrophobicContact CG2-CD2 4.43Å; V1356-Y1387 HydrophobicContact CG2-CD1 3.52Å; V1356-Y1387 HydrophobicContact CG2-CE1 4.31Å; V1356-Y1387 HydrophobicContact CG2-CG 4.04Å; V1356-R1388 WeakPolarHBondContact CA-O 3.24Å; V1356-F1389 HydrophobicContact CB-CD1 3.99Å; V1356-F1389 HydrophobicContact CB-CE1 3.82Å; V1356-F1389 HydrophobicContact CG2-CD1 3.97Å; V1356-F1389 HydrophobicContact CG2-CE1 3.42Å; V1356-F1389 VanDerWaalsContact CG2-CE1 3.42Å; V1356-F1389 HydrophobicContact CG2-CZ 3.87Å |
| 1357 | I | 85.1 | Confident | 82.4 | Confident | 20 Ų | 20 | 54.3 Ų | 54.3 | 10% | 0.103 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 114.3 | -180 | -56.8 | 166.6 | 0 | 0 | 0 | 108.5 | P1364 Y1387 R1388 | I1357-P1364 HydrophobicContact CD1-CB 4.48Å; I1357-P1364 HydrophobicContact CG1-CB 3.87Å; I1357-Y1387 WeakPolarHBondContact O-CA 3.4Å; I1357-R1388 HydrophobicContact CB-CB 4.29Å; I1357-R1388 PolarHBondContact N-O 3.13Å; I1357-R1388 PolarHBondContact O-N 3.14Å |
| 1358 | P | 79.3 | Confident | 82.6 | Confident | 32 Ų | 32 | 53.8 Ų | 53.8 | 21% | 0.208 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.9 | 145.3 | 170.1 | -15.4 | 27.4 | 0 | 0 | 0 | 111.3 | D1361 C1363 Y1387 | P1358-D1361 HydrophobicContact CB-CB 4.46Å; P1358-D1361 CarbonylContact O-C 3.45Å; P1358-D1361 PolarHBondContact O-N 2.99Å; P1358-C1363 WeakPolarHBondContact CD-O 3.3Å; P1358-Y1387 HydrophobicContact CB-CD1 4.27Å; P1358-Y1387 HydrophobicContact CB-CE1 3.95Å; P1358-Y1387 HydrophobicContact CG-CD1 4.39Å; P1358-Y1387 HydrophobicContact CG-CE1 3.98Å |
| 1359 | C | 73.6 | Confident | 82.8 | Confident | 34 Ų | 34 | 50.2 Ų | 50.2 | 23% | 0.23 | 31% | 0.308 | C | S | . | . | S | Bend | trans | -104.8 | 120 | 165.5 | -67.8 | 0 | 0 | 0 | 0 | 108.6 | S1386 R1388 | C1359-S1386 WeakPolarHBondContact CB-O 3.47Å; C1359-S1386 PolarHBondContact N-O 2.83Å; C1359-R1388 PolarHBondContact SG-NE 3.07Å |
| 1360 | P | 64.3 | Low | 82.9 | Confident | 107 Ų | 107 | 52.3 Ų | 52.3 | 70% | 0.695 | 32% | 0.322 | S | S | * | . | S | Bend | cis | -97.1 | -8.6 | 19.7 | 37.6 | -37 | 0 | 0 | 0 | 116.8 | D1362 | P1360-D1362 PolarHBondContact O-N 2.94Å; P1360-D1362 VanDerWaalsContact O-N 3.11Å |
| 1361 | D | 62.2 | Low | 82.8 | Confident | 107 Ų | 107 | 49.9 Ų | 49.9 | 57% | 0.572 | 31% | 0.311 | S | S | * | . | trans | -75.2 | 99 | -171.7 | -58.4 | -58 | 0 | 0 | 0 | 112.4 | P1358 C1363 | P1358-D1361 HydrophobicContact CB-CB 4.46Å; P1358-D1361 CarbonylContact O-C 3.45Å; P1358-D1361 PolarHBondContact O-N 2.99Å; D1361-C1363 PolarHBondContact O-N 2.72Å | ||
| 1362 | D | 62.3 | Low | 82.6 | Confident | 104 Ų | 104 | 55.6 Ų | 55.6 | 56% | 0.556 | 34% | 0.34 | S | S | * | . | trans | -69.5 | 39.7 | 177.7 | -79.2 | -39.7 | 0 | 0 | 0 | 113.8 | P1360 P1364 R1388 | P1360-D1362 PolarHBondContact O-N 2.94Å; P1360-D1362 VanDerWaalsContact O-N 3.11Å; D1362-P1364 VanDerWaalsContact O-CD 3.31Å; D1362-P1364 WeakPolarHBondContact O-CD 3.16Å; D1362-R1388 IonicContact OD1-CZ 2.68Å; D1362-R1388 VanDerWaalsContact OD1-CZ 3.25Å; D1362-R1388 IonicContact OD1-NH1 3.06Å; D1362-R1388 PolarHBondContact OD1-NH1 2.75Å; D1362-R1388 IonicContact OD1-NH2 2.7Å; D1362-R1388 PolarHBondContact OD1-NH2 2.67Å; D1362-R1388 VanDerWaalsContact OD1-NH2 3.13Å; D1362-R1388 IonicContact OD2-NH1 2.72Å | ||
| 1363 | C | 71.7 | Confident | 82.5 | Confident | 96 Ų | 96 | 58.2 Ų | 58.2 | 65% | 0.649 | 35% | 0.353 | S | S | * | . | trans | -94.6 | 101.8 | 166.3 | -72.4 | 0 | 0 | 0 | 0 | 109.1 | P1358 D1361 | P1358-C1363 WeakPolarHBondContact CD-O 3.3Å; D1361-C1363 PolarHBondContact O-N 2.72Å | ||
| 1364 | P | 74.4 | Confident | 82.5 | Confident | 58 Ų | 58 | 59.7 Ų | 59.7 | 38% | 0.377 | 36% | 0.361 | S | S | . | . | trans | -68.8 | 137.1 | 175.2 | 27.4 | -33.5 | 0 | 0 | 0 | 111.4 | E1355 I1357 D1362 P1366 | E1355-P1364 HydrophobicContact CB-CB 4.31Å; E1355-P1364 HydrophobicContact CG-CB 4.18Å; E1355-P1364 WeakPolarHBondContact OE2-CB 3.36Å; I1357-P1364 HydrophobicContact CD1-CB 4.48Å; I1357-P1364 HydrophobicContact CG1-CB 3.87Å; D1362-P1364 VanDerWaalsContact O-CD 3.31Å; D1362-P1364 WeakPolarHBondContact O-CD 3.16Å; P1364-P1366 VanDerWaalsContact O-CD 3.26Å; P1364-P1366 WeakPolarHBondContact O-CD 3.31Å | ||
| 1365 | S | 80 | Confident | 82.5 | Confident | 68 Ų | 68 | 63.6 Ų | 63.6 | 48% | 0.476 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 102.9 | 162.2 | -67.2 | 0 | 0 | 0 | 0 | 108.8 | V1356 | V1356-S1365 PolarHBondContact N-O 2.57Å; V1356-S1365 PolarHBondContact O-N 2.78Å |
| 1366 | P | 82.3 | Confident | 82.6 | Confident | 95 Ų | 95 | 66.1 Ų | 66.1 | 62% | 0.617 | 39% | 0.394 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 141.5 | 177.6 | 31.8 | -35.2 | 0 | 0 | 0 | 111.7 | L1354 E1355 P1364 | L1354-P1366 CarbonylContact O-C 3.55Å; L1354-P1366 WeakPolarHBondContact O-CA 3.45Å; E1355-P1366 HydrophobicContact CG-CB 4.2Å; P1364-P1366 VanDerWaalsContact O-CD 3.26Å; P1364-P1366 WeakPolarHBondContact O-CD 3.31Å |
| 1367 | V | 89.3 | Confident | 82.8 | Confident | 34 Ų | 34 | 68.3 Ų | 68.3 | 21% | 0.206 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 133.6 | 173.3 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | L1354 V1369 Y1376 F1378 | L1354-V1367 HydrophobicContact CB-CB 4.32Å; L1354-V1367 HydrophobicContact CD1-CG1 4.47Å; L1354-V1367 PolarHBondContact N-O 2.87Å; L1354-V1367 PolarHBondContact O-N 3.35Å; V1367-V1369 HydrophobicContact CG1-CG1 4.19Å; V1367-Y1376 HydrophobicContact CG1-CE1 4.3Å; V1367-Y1376 HydrophobicContact CG1-CE2 3.95Å; V1367-F1378 HydrophobicContact CG2-CE1 3.94Å |
| 1368 | V | 90.3 | Very high | 83.1 | Confident | 98 Ų | 98 | 67.8 Ų | 67.8 | 59% | 0.594 | 41% | 0.405 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 127.1 | 174.7 | -173.7 | 0 | 0 | 0 | 0 | 108.7 | Y1352 | Y1352-V1368 WeakPolarHBondContact O-CA 3.34Å |
| 1369 | V | 92 | Very high | 83.4 | Confident | 8 Ų | 8 | 70.9 Ų | 70.9 | 5% | 0.048 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 148.3 | 174.8 | -60.6 | 0 | 0 | 0 | 0 | 110.3 | W1339 S1351 Y1352 L1354 V1367 I1373 Y1376 | W1339-V1369 HydrophobicContact CH2-CG2 4.28Å; W1339-V1369 HydrophobicContact CZ2-CG2 3.98Å; S1351-V1369 CarbonylContact C-O 3.56Å; S1351-V1369 VanDerWaalsContact CA-O 3.22Å; S1351-V1369 WeakPolarHBondContact CA-O 3.36Å; S1351-V1369 WeakPolarHBondContact CB-O 3.42Å; Y1352-V1369 HydrophobicContact CD2-CG2 4.3Å; Y1352-V1369 PolarHBondContact N-O 2.79Å; Y1352-V1369 PolarHBondContact O-N 2.83Å; L1354-V1369 HydrophobicContact CD1-CG1 4.01Å; L1354-V1369 HydrophobicContact CD1-CG2 4.31Å; L1354-V1369 HydrophobicContact CD2-CG2 4.07Å; L1354-V1369 HydrophobicContact CG-CG2 4.27Å; V1367-V1369 HydrophobicContact CG1-CG1 4.19Å; V1369-I1373 HydrophobicContact CB-CB 4.04Å; V1369-I1373 HydrophobicContact CB-CD1 4.23Å; V1369-I1373 HydrophobicContact CB-CG2 4.08Å; V1369-I1373 HydrophobicContact CG1-CG2 4.4Å; V1369-I1373 HydrophobicContact CG2-CB 4.1Å; V1369-I1373 HydrophobicContact CG2-CG2 4.07Å; V1369-Y1376 HydrophobicContact CG1-CD2 3.74Å; V1369-Y1376 HydrophobicContact CG1-CE2 4.08Å |
| 1370 | P | 92.1 | Very high | 84 | Confident | 71 Ų | 71 | 74.2 Ų | 74.2 | 46% | 0.461 | 44% | 0.443 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71 | 164.7 | 178.1 | -10.4 | 27.3 | 0 | 0 | 0 | 112 | D1372 I1373 | P1370-D1372 WeakPolarHBondContact CB-OD1 3.47Å; P1370-D1372 PolarHBondContact O-N 3.35Å; P1370-D1372 VanDerWaalsContact O-N 3.17Å; P1370-I1373 PolarHBondContact O-N 2.96Å |
| 1371 | A | 88.4 | Confident | 85.1 | Confident | 33 Ų | 33 | 69.7 Ų | 69.7 | 27% | 0.273 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -14.3 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | V1349 V1350 I1373 | V1349-A1371 HydrophobicContact CB-CB 4.28Å; V1349-A1371 HydrophobicContact CG1-CB 3.97Å; V1349-A1371 WeakPolarHBondContact O-CB 3.07Å; V1350-A1371 PolarHBondContact O-N 2.85Å; V1350-A1371 VanDerWaalsContact O-N 3.1Å; A1371-I1373 VanDerWaalsContact C-N 3.3Å |
| 1372 | D | 89.5 | Confident | 86.2 | Confident | 140 Ų | 140 | 69.9 Ų | 69.9 | 75% | 0.749 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.1 | -12.8 | 173.1 | 63.4 | -30.1 | 0 | 0 | 0 | 113.1 | P1370 | P1370-D1372 WeakPolarHBondContact CB-OD1 3.47Å; P1370-D1372 PolarHBondContact O-N 3.35Å; P1370-D1372 VanDerWaalsContact O-N 3.17Å |
| 1373 | I | 91 | Very high | 87.1 | Confident | 58 Ų | 58 | 66.9 Ų | 66.9 | 30% | 0.297 | 40% | 0.4 | S | S | . | . | trans | -91.6 | 119.3 | 177.5 | -58.2 | -166.7 | 0 | 0 | 0 | 110.7 | W1339 Y1352 V1369 P1370 A1371 T1375 | W1339-I1373 HydrophobicContact CH2-CG2 4.49Å; W1339-I1373 VanDerWaalsContact CZ2-O 3.29Å; W1339-I1373 WeakPolarHBondContact CZ2-O 3.42Å; Y1352-I1373 VanDerWaalsContact CD2-O 3.3Å; Y1352-I1373 WeakPolarHBondContact CD2-O 3.17Å; Y1352-I1373 WeakPolarHBondContact CE2-O 3.47Å; V1369-I1373 HydrophobicContact CB-CB 4.04Å; V1369-I1373 HydrophobicContact CB-CD1 4.23Å; V1369-I1373 HydrophobicContact CB-CG2 4.08Å; V1369-I1373 HydrophobicContact CG1-CG2 4.4Å; V1369-I1373 HydrophobicContact CG2-CB 4.1Å; V1369-I1373 HydrophobicContact CG2-CG2 4.07Å; P1370-I1373 PolarHBondContact O-N 2.96Å; A1371-I1373 VanDerWaalsContact C-N 3.3Å; I1373-T1375 WeakPolarHBondContact CG2-O 3.4Å | ||
| 1374 | L | 92.8 | Very high | 87.4 | Confident | 62 Ų | 62 | 67.7 Ų | 67.7 | 33% | 0.325 | 39% | 0.394 | S | S | . | . | trans | -116.6 | 1.1 | 175.4 | -69.8 | -178.8 | 0 | 0 | 0 | 113.5 | T1338 W1339 A1341 Y1352 | T1338-L1374 WeakPolarHBondContact CA-O 3.47Å; W1339-L1374 PolarHBondContact N-O 2.85Å; W1339-L1374 WeakPolarHBondContact O-CB 3.11Å; A1341-L1374 HydrophobicContact CB-CD2 4.33Å; Y1352-L1374 HydrophobicContact CE2-CD2 3.88Å | ||
| 1375 | T | 92.6 | Very high | 87.8 | Confident | 83 Ų | 83 | 66.5 Ų | 66.5 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.4 | 141.3 | 179 | 63.8 | 0 | 0 | 0 | 0 | 110.1 | L1337 T1338 I1373 | L1337-T1375 CarbonylContact O-C 3.59Å; L1337-T1375 WeakPolarHBondContact O-CA 3.27Å; T1338-T1375 HydrophobicContact CG2-CG2 3.55Å; I1373-T1375 WeakPolarHBondContact CG2-O 3.4Å |
| 1376 | Y | 92.8 | Very high | 88.2 | Confident | 70 Ų | 70 | 64.8 Ų | 64.8 | 28% | 0.275 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.9 | 131.3 | -179.4 | -174.3 | -91.1 | 0 | 0 | 0 | 111.3 | L1337 L1354 V1367 V1369 F1378 | L1337-Y1376 WeakPolarHBondContact CB-O 3.07Å; L1337-Y1376 PolarHBondContact N-O 3.38Å; L1337-Y1376 PolarHBondContact O-N 3.3Å; L1354-Y1376 HydrophobicContact CD1-CD1 3.68Å; L1354-Y1376 HydrophobicContact CD1-CD2 4.05Å; L1354-Y1376 HydrophobicContact CD1-CE1 4.41Å; L1354-Y1376 HydrophobicContact CD1-CG 3.47Å; L1354-Y1376 VanDerWaalsContact CD1-CG 3.47Å; V1367-Y1376 HydrophobicContact CG1-CE1 4.3Å; V1367-Y1376 HydrophobicContact CG1-CE2 3.95Å; V1369-Y1376 HydrophobicContact CG1-CD2 3.74Å; V1369-Y1376 HydrophobicContact CG1-CE2 4.08Å; Y1376-F1378 HydrophobicContact CD1-CD1 4.39Å; Y1376-F1378 AromaticContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CE1 4.28Å; Y1376-F1378 AromaticContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CG 4.13Å; Y1376-F1378 AromaticContact CD1-CZ 3.88Å; Y1376-F1378 HydrophobicContact CD1-CZ 3.88Å; Y1376-F1378 AromaticContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD2 4.05Å; Y1376-F1378 AromaticContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE2 4.03Å; Y1376-F1378 AromaticContact CE1-CG 3.99Å; Y1376-F1378 HydrophobicContact CE1-CG 3.99Å; Y1376-F1378 AromaticContact CE1-CZ 3.98Å; Y1376-F1378 HydrophobicContact CE1-CZ 3.98Å |
| 1377 | T | 93 | Very high | 88.5 | Confident | 56 Ų | 56 | 60.9 Ų | 60.9 | 34% | 0.344 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 122.2 | 174.8 | -54.8 | 0 | 0 | 0 | 0 | 109.6 | L1330 E1334 | L1330-T1377 HydrophobicContact CD1-CG2 3.86Å; E1334-T1377 HydrophobicContact CB-CG2 4.39Å |
| 1378 | F | 90.4 | Very high | 88.5 | Confident | 10 Ų | 10 | 62.2 Ų | 62.2 | 4% | 0.044 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 113 | 166.3 | -72.6 | -91.3 | 0 | 0 | 0 | 108.9 | E1334 I1335 L1337 L1354 V1356 V1367 Y1376 L1381 F1389 | E1334-F1378 VanDerWaalsContact CA-O 3.29Å; E1334-F1378 WeakPolarHBondContact CA-O 3.14Å; I1335-F1378 PolarHBondContact N-O 3.3Å; I1335-F1378 PolarHBondContact O-N 2.83Å; L1337-F1378 HydrophobicContact CB-CD2 4.36Å; L1337-F1378 HydrophobicContact CB-CE2 4.21Å; L1337-F1378 HydrophobicContact CD2-CE2 3.8Å; L1354-F1378 HydrophobicContact CB-CZ 3.94Å; L1354-F1378 HydrophobicContact CD1-CE2 4.39Å; L1354-F1378 HydrophobicContact CD1-CZ 4.22Å; V1356-F1378 HydrophobicContact CB-CD1 3.8Å; V1356-F1378 HydrophobicContact CB-CE1 3.65Å; V1356-F1378 HydrophobicContact CB-CG 4.45Å; V1356-F1378 HydrophobicContact CB-CZ 4.19Å; V1356-F1378 HydrophobicContact CG1-CD1 3.56Å; V1356-F1378 HydrophobicContact CG1-CE1 3.5Å; V1356-F1378 VanDerWaalsContact CG1-CE1 3.5Å; V1356-F1378 HydrophobicContact CG1-CZ 4.47Å; V1356-F1378 HydrophobicContact CG2-CD1 4.49Å; V1367-F1378 HydrophobicContact CG2-CE1 3.94Å; Y1376-F1378 HydrophobicContact CD1-CD1 4.39Å; Y1376-F1378 AromaticContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CD2 3.7Å; Y1376-F1378 HydrophobicContact CD1-CE1 4.28Å; Y1376-F1378 AromaticContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CE2 3.56Å; Y1376-F1378 HydrophobicContact CD1-CG 4.13Å; Y1376-F1378 AromaticContact CD1-CZ 3.88Å; Y1376-F1378 HydrophobicContact CD1-CZ 3.88Å; Y1376-F1378 AromaticContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD1 3.92Å; Y1376-F1378 HydrophobicContact CE1-CD2 4.05Å; Y1376-F1378 AromaticContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE1 3.91Å; Y1376-F1378 HydrophobicContact CE1-CE2 4.03Å; Y1376-F1378 AromaticContact CE1-CG 3.99Å; Y1376-F1378 HydrophobicContact CE1-CG 3.99Å; Y1376-F1378 AromaticContact CE1-CZ 3.98Å; Y1376-F1378 HydrophobicContact CE1-CZ 3.98Å; F1378-L1381 HydrophobicContact CB-CD1 4.13Å; F1378-L1381 HydrophobicContact CB-CD2 4.3Å; F1378-L1381 HydrophobicContact CB-CG 4.42Å; F1378-F1389 HydrophobicContact CB-CE1 4.18Å; F1378-F1389 HydrophobicContact CD1-CE1 4.43Å; F1378-F1389 AromaticContact CD2-CD1 3.78Å; F1378-F1389 HydrophobicContact CD2-CD1 3.78Å; F1378-F1389 AromaticContact CD2-CE1 3.51Å; F1378-F1389 HydrophobicContact CD2-CE1 3.51Å; F1378-F1389 AromaticContact CE2-CD1 3.73Å; F1378-F1389 HydrophobicContact CE2-CD1 3.73Å; F1378-F1389 AromaticContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CG-CD1 4.39Å; F1378-F1389 AromaticContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CZ-CD1 4.3Å |
| 1379 | D | 86.3 | Confident | 88.6 | Confident | 97 Ų | 97 | 57.5 Ų | 57.5 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | trans | -90.6 | -176.1 | 170.2 | 70.5 | 61 | 0 | 0 | 0 | 112.2 | Y1333 E1334 L1381 | Y1333-D1379 CarbonylContact O-C 3.56Å; E1334-D1379 HydrophobicContact CG-CB 4.34Å; D1379-L1381 PolarHBondContact O-N 2.74Å | ||
| 1380 | S | 86.6 | Confident | 88.5 | Confident | 103 Ų | 103 | 60.7 Ų | 60.7 | 72% | 0.72 | 33% | 0.331 | S | S | * | . | S | Bend | trans | 58.2 | 20.4 | 173 | -57.3 | 0 | 0 | 0 | 0 | 115.5 | Y1333 | Y1333-S1380 PolarHBondContact O-N 3.29Š|
| 1381 | L | 87.4 | Confident | 88.6 | Confident | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.063 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -75.9 | 156 | 177.9 | -54.7 | -179.5 | 0 | 0 | 0 | 111.3 | Y1333 I1335 V1356 F1378 D1379 Y1387 F1389 T1410 | Y1333-L1381 WeakPolarHBondContact CA-O 3.31Å; Y1333-L1381 VanDerWaalsContact CD1-O 3.29Å; Y1333-L1381 WeakPolarHBondContact CD1-O 3.37Å; Y1333-L1381 WeakPolarHBondContact O-CB 3.26Å; Y1333-L1381 PolarHBondContact O-N 3.42Å; I1335-L1381 HydrophobicContact CB-CD1 3.78Å; I1335-L1381 HydrophobicContact CD1-CD1 3.72Å; I1335-L1381 HydrophobicContact CG1-CD1 3.63Å; V1356-L1381 HydrophobicContact CG2-CD2 4.43Å; F1378-L1381 HydrophobicContact CB-CD1 4.13Å; F1378-L1381 HydrophobicContact CB-CD2 4.3Å; F1378-L1381 HydrophobicContact CB-CG 4.42Å; D1379-L1381 PolarHBondContact O-N 2.74Å; L1381-Y1387 HydrophobicContact CB-CE2 3.77Å; L1381-Y1387 HydrophobicContact CD1-CD2 4.27Å; L1381-Y1387 HydrophobicContact CD1-CE2 4.3Å; L1381-Y1387 HydrophobicContact CD2-CD1 4.33Å; L1381-Y1387 HydrophobicContact CD2-CD2 4.48Å; L1381-Y1387 HydrophobicContact CD2-CE1 3.94Å; L1381-Y1387 HydrophobicContact CD2-CE2 4.13Å; L1381-Y1387 HydrophobicContact CG-CE2 4.29Å; L1381-F1389 HydrophobicContact CD1-CZ 4.49Å; L1381-T1410 HydrophobicContact CB-CG2 3.75Å; L1381-T1410 HydrophobicContact CD1-CG2 4.18Å |
| 1382 | L | 84.1 | Confident | 88.8 | Confident | 111 Ų | 111 | 56.6 Ų | 56.6 | 58% | 0.581 | 30% | 0.3 | S | S | * | . | P | Polyproline II helix | trans | -85.4 | 135.4 | 179 | -66.4 | 174.3 | 0 | 0 | 0 | 111 | T1385 Y1387 T1410 | L1382-T1385 HydrophobicContact CB-CG2 4.49Å; L1382-T1385 VanDerWaalsContact CB-OG1 3.31Å; L1382-T1385 WeakPolarHBondContact CB-OG1 3.38Å; L1382-T1385 WeakPolarHBondContact O-CB 3.37Å; L1382-T1385 PolarHBondContact O-N 3.35Å; L1382-T1385 PolarHBondContact O-OG1 2.92Å; L1382-Y1387 PolarHBondContact N-OH 2.92Å; L1382-T1410 WeakPolarHBondContact O-CG2 3.4Å; L1382-T1410 PolarHBondContact O-OG1 3.48Å |
| 1383 | P | 82 | Confident | 89 | Confident | 42 Ų | 42 | 50 Ų | 50 | 27% | 0.273 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | 154.2 | 175.4 | -24.6 | 33.4 | 0 | 0 | 0 | 113.6 | L1332 Y1333 T1385 T1410 | L1332-P1383 HydrophobicContact CB-CB 4.5Å; L1332-P1383 HydrophobicContact CB-CG 4.23Å; L1332-P1383 HydrophobicContact CD2-CB 4.49Å; L1332-P1383 VanDerWaalsContact O-CA 3.31Å; L1332-P1383 WeakPolarHBondContact O-CA 3.37Å; L1332-P1383 WeakPolarHBondContact O-CG 3.3Å; Y1333-P1383 HydrophobicContact CD1-CG 3.93Å; Y1333-P1383 HydrophobicContact CE1-CG 3.44Å; Y1333-P1383 VanDerWaalsContact CE1-CG 3.44Å; P1383-T1385 PolarHBondContact O-N 3.29Å; P1383-T1385 PolarHBondContact O-OG1 3.04Å; P1383-T1385 VanDerWaalsContact O-OG1 3.07Å; P1383-T1410 VanDerWaalsContact C-OG1 3.29Å; P1383-T1410 WeakPolarHBondContact CA-OG1 3.38Å |
| 1384 | E | 79 | Confident | 89 | Confident | 112 Ų | 112 | 48.4 Ų | 48.4 | 52% | 0.523 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51 | 8 | -173.1 | -55.7 | -161 | 117.3 | 0 | 0 | 116.5 | T1410 L1411 S1412 | E1384-T1410 PolarHBondContact N-OG1 3.37Å; E1384-L1411 PolarHBondContact N-O 2.91Å; E1384-L1411 VanDerWaalsContact N-O 3.15Å; E1384-S1412 WeakPolarHBondContact OE1-CB 3.45Å; E1384-S1412 PolarHBondContact OE1-OG 2.77Å |
| 1385 | T | 82.9 | Confident | 88.9 | Confident | 33 Ų | 33 | 45.8 Ų | 45.8 | 20% | 0.202 | 25% | 0.245 | C | C | . | . | trans | -92.5 | 138.2 | -172.7 | -57 | 0 | 0 | 0 | 0 | 111.2 | L1382 P1383 Y1387 V1409 T1410 | L1382-T1385 HydrophobicContact CB-CG2 4.49Å; L1382-T1385 VanDerWaalsContact CB-OG1 3.31Å; L1382-T1385 WeakPolarHBondContact CB-OG1 3.38Å; L1382-T1385 WeakPolarHBondContact O-CB 3.37Å; L1382-T1385 PolarHBondContact O-N 3.35Å; L1382-T1385 PolarHBondContact O-OG1 2.92Å; P1383-T1385 PolarHBondContact O-N 3.29Å; P1383-T1385 PolarHBondContact O-OG1 3.04Å; P1383-T1385 VanDerWaalsContact O-OG1 3.07Å; T1385-Y1387 HydrophobicContact CG2-CD2 4.34Å; T1385-Y1387 HydrophobicContact CG2-CE1 4.39Å; T1385-Y1387 HydrophobicContact CG2-CE2 3.69Å; T1385-Y1387 WeakPolarHBondContact O-CD2 3.38Å; T1385-V1409 WeakPolarHBondContact O-CA 3.29Å; T1385-T1410 PolarHBondContact N-OG1 3.14Å; T1385-T1410 PolarHBondContact O-N 3.07Å; T1385-T1410 PolarHBondContact O-OG1 2.95Å | ||
| 1386 | S | 86.8 | Confident | 88.7 | Confident | 32 Ų | 32 | 48 Ų | 48 | 22% | 0.224 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 133.5 | 176.7 | -173.6 | 0 | 0 | 0 | 0 | 110.7 | C1359 A1408 | C1359-S1386 WeakPolarHBondContact CB-O 3.47Å; C1359-S1386 PolarHBondContact N-O 2.83Å; S1386-A1408 WeakPolarHBondContact CA-O 3.13Å; S1386-A1408 PolarHBondContact OG-O 2.81Å |
| 1387 | Y | 89 | Confident | 88.4 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.055 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.4 | -179.6 | -68.7 | -83.4 | 0 | 0 | 0 | 110.3 | I1335 V1356 I1357 P1358 L1381 L1382 T1385 F1389 R1407 A1408 T1410 | I1335-Y1387 HydrophobicContact CD1-CD2 4.23Å; V1356-Y1387 HydrophobicContact CG2-CD1 3.52Å; V1356-Y1387 HydrophobicContact CG2-CE1 4.31Å; V1356-Y1387 HydrophobicContact CG2-CG 4.04Å; I1357-Y1387 WeakPolarHBondContact O-CA 3.4Å; P1358-Y1387 HydrophobicContact CB-CD1 4.27Å; P1358-Y1387 HydrophobicContact CB-CE1 3.95Å; P1358-Y1387 HydrophobicContact CG-CD1 4.39Å; P1358-Y1387 HydrophobicContact CG-CE1 3.98Å; L1381-Y1387 HydrophobicContact CB-CE2 3.77Å; L1381-Y1387 HydrophobicContact CD1-CD2 4.27Å; L1381-Y1387 HydrophobicContact CD1-CE2 4.3Å; L1381-Y1387 HydrophobicContact CD2-CD1 4.33Å; L1381-Y1387 HydrophobicContact CD2-CD2 4.48Å; L1381-Y1387 HydrophobicContact CD2-CE1 3.94Å; L1381-Y1387 HydrophobicContact CD2-CE2 4.13Å; L1381-Y1387 HydrophobicContact CG-CE2 4.29Å; L1382-Y1387 PolarHBondContact N-OH 2.92Å; T1385-Y1387 HydrophobicContact CG2-CD2 4.34Å; T1385-Y1387 HydrophobicContact CG2-CE1 4.39Å; T1385-Y1387 HydrophobicContact CG2-CE2 3.69Å; T1385-Y1387 WeakPolarHBondContact O-CD2 3.38Å; Y1387-F1389 VanDerWaalsContact CB-CE2 3.49Å; Y1387-F1389 HydrophobicContact CG-CZ 4.35Å; Y1387-R1407 WeakPolarHBondContact O-CA 3.11Å; Y1387-A1408 PolarHBondContact N-O 3.1Å; Y1387-A1408 PolarHBondContact O-N 3.01Å; Y1387-T1410 HydrophobicContact CD2-CG2 4.4Å; Y1387-T1410 HydrophobicContact CE2-CG2 4.09Å |
| 1388 | R | 90.4 | Very high | 88 | Confident | 61 Ų | 61 | 45.9 Ų | 45.9 | 23% | 0.23 | 25% | 0.25 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 137.8 | 165.9 | -48.7 | 175.3 | -156.3 | 143.9 | 19.3 | 108.4 | V1356 I1357 C1359 D1362 I1406 R1407 | V1356-R1388 WeakPolarHBondContact CA-O 3.24Å; I1357-R1388 HydrophobicContact CB-CB 4.29Å; I1357-R1388 PolarHBondContact N-O 3.13Å; I1357-R1388 PolarHBondContact O-N 3.14Å; C1359-R1388 PolarHBondContact SG-NE 3.07Å; D1362-R1388 IonicContact OD1-CZ 2.68Å; D1362-R1388 VanDerWaalsContact OD1-CZ 3.25Å; D1362-R1388 IonicContact OD1-NH1 3.06Å; D1362-R1388 PolarHBondContact OD1-NH1 2.75Å; D1362-R1388 IonicContact OD1-NH2 2.7Å; D1362-R1388 PolarHBondContact OD1-NH2 2.67Å; D1362-R1388 VanDerWaalsContact OD1-NH2 3.13Å; D1362-R1388 IonicContact OD2-NH1 2.72Å; R1388-I1406 CarbonylContact C-O 3.55Å; R1388-I1406 WeakPolarHBondContact CA-O 3.32Å; R1388-R1407 HydrophobicContact CG-CG 4.07Å |
| 1389 | F | 91.7 | Very high | 88 | Confident | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.6 | 176.6 | -58.9 | -90.6 | 0 | 0 | 0 | 109.6 | A1327 I1335 L1337 E1355 V1356 F1378 L1381 Y1387 P1405 I1406 A1408 | A1327-F1389 HydrophobicContact CB-CD2 4.32Å; I1335-F1389 HydrophobicContact CB-CZ 3.99Å; I1335-F1389 HydrophobicContact CD1-CE2 4.01Å; I1335-F1389 HydrophobicContact CD1-CZ 3.86Å; I1335-F1389 HydrophobicContact CG1-CZ 4.5Å; I1335-F1389 HydrophobicContact CG2-CE1 4.49Å; I1335-F1389 HydrophobicContact CG2-CE2 3.93Å; I1335-F1389 HydrophobicContact CG2-CZ 3.77Å; L1337-F1389 HydrophobicContact CD1-CB 3.57Å; L1337-F1389 HydrophobicContact CD1-CD1 4.34Å; L1337-F1389 HydrophobicContact CD1-CG 3.93Å; L1337-F1389 HydrophobicContact CD2-CB 4Å; L1337-F1389 HydrophobicContact CD2-CD1 4.29Å; L1337-F1389 HydrophobicContact CD2-CG 4.48Å; L1337-F1389 HydrophobicContact CG-CB 4.47Å; E1355-F1389 WeakPolarHBondContact O-CA 3.29Å; V1356-F1389 HydrophobicContact CB-CD1 3.99Å; V1356-F1389 HydrophobicContact CB-CE1 3.82Å; V1356-F1389 HydrophobicContact CG2-CD1 3.97Å; V1356-F1389 HydrophobicContact CG2-CE1 3.42Å; V1356-F1389 VanDerWaalsContact CG2-CE1 3.42Å; V1356-F1389 HydrophobicContact CG2-CZ 3.87Å; F1378-F1389 HydrophobicContact CB-CE1 4.18Å; F1378-F1389 HydrophobicContact CD1-CE1 4.43Å; F1378-F1389 AromaticContact CD2-CD1 3.78Å; F1378-F1389 HydrophobicContact CD2-CD1 3.78Å; F1378-F1389 AromaticContact CD2-CE1 3.51Å; F1378-F1389 HydrophobicContact CD2-CE1 3.51Å; F1378-F1389 AromaticContact CE2-CD1 3.73Å; F1378-F1389 HydrophobicContact CE2-CD1 3.73Å; F1378-F1389 AromaticContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CE2-CE1 3.96Å; F1378-F1389 HydrophobicContact CG-CD1 4.39Å; F1378-F1389 AromaticContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CG-CE1 3.78Å; F1378-F1389 HydrophobicContact CZ-CD1 4.3Å; L1381-F1389 HydrophobicContact CD1-CZ 4.49Å; Y1387-F1389 VanDerWaalsContact CB-CE2 3.49Å; Y1387-F1389 HydrophobicContact CG-CZ 4.35Å; F1389-P1405 CarbonylContact O-C 3.59Å; F1389-P1405 VanDerWaalsContact O-CA 3.26Å; F1389-P1405 WeakPolarHBondContact O-CA 3.2Å; F1389-I1406 HydrophobicContact CB-CG2 3.94Å; F1389-I1406 PolarHBondContact N-O 3.15Å; F1389-I1406 PolarHBondContact O-N 3.08Å; F1389-A1408 HydrophobicContact CE2-CB 4.07Å |
| 1390 | R | 90.5 | Very high | 88.1 | Confident | 75 Ų | 75 | 44.6 Ų | 44.6 | 28% | 0.283 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 147.4 | 172.9 | 62.1 | 177.6 | -175.2 | 159.1 | 4.4 | 111 | L1354 E1355 Y1402 P1405 | L1354-R1390 CarbonylContact C-O 3.57Å; L1354-R1390 WeakPolarHBondContact CA-O 3.47Å; E1355-R1390 HydrophobicContact CB-CG 3.92Å; E1355-R1390 PolarHBondContact N-O 3.16Å; E1355-R1390 PolarHBondContact O-N 2.8Å; E1355-R1390 VanDerWaalsContact O-N 3.07Å; E1355-R1390 IonicContact OE1-CZ 3.73Å; E1355-R1390 IonicContact OE1-NE 3.25Å; E1355-R1390 IonicContact OE1-NH2 3.96Å; E1355-R1390 PolarHBondContact OE1-NH2 2.65Å; E1355-R1390 IonicContact OE2-CZ 3.18Å; E1355-R1390 IonicContact OE2-NE 2.8Å; E1355-R1390 PolarHBondContact OE2-NE 2.92Å; E1355-R1390 IonicContact OE2-NH2 3.68Å; E1355-R1390 PolarHBondContact OE2-NH2 2.94Å; R1390-Y1402 HydrophobicContact CB-CD1 3.84Å; R1390-Y1402 HydrophobicContact CB-CG 4.41Å; R1390-Y1402 HydrophobicContact CG-CD1 3.55Å; R1390-Y1402 HydrophobicContact CG-CE1 3.82Å; R1390-Y1402 HydrophobicContact CG-CG 4.29Å; R1390-P1405 HydrophobicContact CB-CB 4.26Å |
| 1391 | V | 93.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 130 | -174.7 | -178.1 | 0 | 0 | 0 | 0 | 109.7 | P1322 L1325 L1337 W1339 Y1352 N1353 L1354 Y1402 A1403 | P1322-V1391 HydrophobicContact CB-CG1 4.34Å; P1322-V1391 HydrophobicContact CG-CG1 4.11Å; L1325-V1391 HydrophobicContact CD1-CB 4.24Å; L1325-V1391 HydrophobicContact CD1-CG2 3.6Å; L1337-V1391 HydrophobicContact CD2-CG2 3.6Å; W1339-V1391 HydrophobicContact CD2-CG1 4.05Å; W1339-V1391 HydrophobicContact CD2-CG2 4.48Å; W1339-V1391 HydrophobicContact CE3-CG2 4.23Å; W1339-V1391 HydrophobicContact CG-CG1 4.22Å; Y1352-V1391 HydrophobicContact CD1-CG1 4.3Å; N1353-V1391 WeakPolarHBondContact O-CA 3.09Å; L1354-V1391 HydrophobicContact CD2-CB 4.3Å; L1354-V1391 HydrophobicContact CD2-CG1 3.63Å; L1354-V1391 HydrophobicContact CD2-CG2 3.83Å; V1391-Y1402 CarbonylContact O-C 3.53Å; V1391-Y1402 WeakPolarHBondContact O-CA 3.28Å; V1391-A1403 WeakPolarHBondContact O-CB 3.32Å; V1391-A1403 PolarHBondContact O-N 2.92Å |
| 1392 | Q | 93.3 | Very high | 88.5 | Confident | 18 Ų | 18 | 46.2 Ų | 46.2 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 151.7 | 171.4 | 59.6 | 179.1 | -3 | 0 | 0 | 109.7 | Y1352 N1353 G1400 Y1402 | Y1352-Q1392 CarbonylContact C-O 3.5Å; Y1352-Q1392 VanDerWaalsContact CA-O 3.26Å; Y1352-Q1392 WeakPolarHBondContact CA-O 3.41Å; N1353-Q1392 HydrophobicContact CB-CG 3.72Å; N1353-Q1392 PolarHBondContact N-O 2.73Å; N1353-Q1392 PolarHBondContact ND2-NE2 2.71Å; N1353-Q1392 VanDerWaalsContact ND2-NE2 3.19Å; N1353-Q1392 PolarHBondContact O-N 3Å; Q1392-G1400 WeakPolarHBondContact CB-O 3.46Å; Q1392-G1400 PolarHBondContact OE1-O 3.38Å; Q1392-Y1402 HydrophobicContact CB-CD1 3.81Å; Q1392-Y1402 HydrophobicContact CB-CE1 4.12Å; Q1392-Y1402 HydrophobicContact CB-CG 4.05Å; Q1392-Y1402 HydrophobicContact CG-CD1 3.86Å; Q1392-Y1402 HydrophobicContact CG-CE1 3.61Å; Q1392-Y1402 HydrophobicContact CG-CE2 4.49Å; Q1392-Y1402 HydrophobicContact CG-CG 4.4Å; Q1392-Y1402 VanDerWaalsContact NE2-CZ 3.34Å; Q1392-Y1402 PolarHBondContact NE2-OH 2.81Å |
| 1393 | A | 92.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 160.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | P1319 P1322 P1342 V1349 S1351 Y1352 G1400 | P1319-A1393 HydrophobicContact CB-CB 4.08Å; P1319-A1393 HydrophobicContact CG-CB 3.59Å; P1322-A1393 HydrophobicContact CG-CB 4.21Å; P1342-A1393 HydrophobicContact CG-CB 3.59Å; V1349-A1393 HydrophobicContact CG1-CB 3.96Å; V1349-A1393 HydrophobicContact CG2-CB 4.28Å; S1351-A1393 CarbonylContact O-C 3.55Å; Y1352-A1393 HydrophobicContact CD1-CB 3.79Å; Y1352-A1393 HydrophobicContact CE1-CB 3.77Å; A1393-G1400 PolarHBondContact O-N 2.7Å |
| 1394 | C | 91.7 | Very high | 88.9 | Confident | 26 Ų | 26 | 45.4 Ų | 45.4 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 135.9 | 174 | -165.8 | 0 | 0 | 0 | 0 | 110.2 | V1350 S1351 G1398 V1399 | V1350-C1394 PolarHBondContact N-O 3.19Å; S1351-C1394 PolarHBondContact N-O 3.14Å; S1351-C1394 PolarHBondContact O-N 3.12Å; C1394-G1398 WeakPolarHBondContact CA-O 3.39Å; C1394-G1398 PolarHBondContact SG-O 2.98Å; C1394-V1399 HydrophobicContact CB-CG1 4.08Å |
| 1395 | N | 90.4 | Very high | 89.3 | Confident | 6 Ų | 6 | 43.9 Ų | 43.9 | 3% | 0.032 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | -172.5 | 168.5 | 71.5 | 8.6 | 0 | 0 | 0 | 110.2 | G1317 P1319 D1344 R1347 P1348 C1397 G1398 | G1317-N1395 PolarHBondContact O-ND2 3.13Å; P1319-N1395 HydrophobicContact CG-CB 4.46Å; D1344-N1395 PolarHBondContact O-ND2 3.18Å; R1347-N1395 HydrophobicContact CB-CB 4.15Å; R1347-N1395 WeakPolarHBondContact O-CB 3.32Å; R1347-N1395 PolarHBondContact O-ND2 3Å; P1348-N1395 VanDerWaalsContact O-CB 3.22Å; P1348-N1395 WeakPolarHBondContact O-CB 3.16Å; N1395-C1397 PolarHBondContact O-N 3.07Å; N1395-C1397 WeakPolarHBondContact OD1-CA 3.27Å; N1395-C1397 WeakPolarHBondContact OD1-CB 3.36Å; N1395-C1397 PolarHBondContact OD1-N 2.79Å; N1395-G1398 PolarHBondContact N-O 2.92Å; N1395-G1398 PolarHBondContact O-N 2.99Å; N1395-G1398 PolarHBondContact OD1-N 2.59Å; N1395-G1398 PolarHBondContact OD1-O 3.43Å |
| 1396 | E | 88.6 | Confident | 89.6 | Confident | 131 Ų | 131 | 44.6 Ų | 44.6 | 61% | 0.612 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -22.1 | 178.4 | -61.9 | -175.9 | 142.6 | 0 | 0 | 114.2 | R1347 | R1347-E1396 HydrophobicContact CB-CB 4.39Å; R1347-E1396 WeakPolarHBondContact CD-OE2 3.19Å; R1347-E1396 HydrophobicContact CG-CB 4.37Å; R1347-E1396 IonicContact CZ-OE2 3.78Å; R1347-E1396 IonicContact NE-OE2 3.39Å; R1347-E1396 IonicContact NH1-OE2 2.69Å; R1347-E1396 PolarHBondContact NH1-OE2 2.85Å |
| 1397 | C | 85.7 | Confident | 89.7 | Confident | 56 Ų | 56 | 51.2 Ų | 51.2 | 38% | 0.378 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | -8.4 | 176.1 | -62.5 | 0 | 0 | 0 | 0 | 113.3 | N1395 | N1395-C1397 PolarHBondContact O-N 3.07Å; N1395-C1397 WeakPolarHBondContact OD1-CA 3.27Å; N1395-C1397 WeakPolarHBondContact OD1-CB 3.36Å; N1395-C1397 PolarHBondContact OD1-N 2.79Å |
| 1398 | G | 86.3 | Confident | 89.6 | Confident | 25 Ų | 25 | 51 Ų | 51 | 26% | 0.258 | 27% | 0.269 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 125.7 | -164.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | P1319 C1394 N1395 | P1319-G1398 WeakPolarHBondContact CD-O 3.45Å; C1394-G1398 WeakPolarHBondContact CA-O 3.39Å; C1394-G1398 PolarHBondContact SG-O 2.98Å; N1395-G1398 PolarHBondContact N-O 2.92Å; N1395-G1398 PolarHBondContact O-N 2.99Å; N1395-G1398 PolarHBondContact OD1-N 2.59Å; N1395-G1398 PolarHBondContact OD1-O 3.43Å |
| 1399 | V | 90.5 | Very high | 89.3 | Confident | 75 Ų | 75 | 51.1 Ų | 51.1 | 46% | 0.455 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.3 | 132.8 | 179.4 | -67.5 | 0 | 0 | 0 | 0 | 111.9 | P1318 N1353 C1394 | P1318-V1399 WeakPolarHBondContact CB-O 2.96Å; N1353-V1399 WeakPolarHBondContact ND2-CG1 3.28Å; C1394-V1399 HydrophobicContact CB-CG1 4.08Å |
| 1400 | G | 88.4 | Confident | 89 | Confident | 4 Ų | 4 | 51.2 Ų | 51.2 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | trans | -78.8 | 174.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | P1319 Q1392 A1393 | P1319-G1400 WeakPolarHBondContact O-CA 3.44Å; Q1392-G1400 WeakPolarHBondContact CB-O 3.46Å; Q1392-G1400 PolarHBondContact OE1-O 3.38Å; A1393-G1400 PolarHBondContact O-N 2.7Å | ||
| 1401 | P | 90 | Very high | 88.5 | Confident | 78 Ų | 78 | 51.2 Ų | 51.2 | 51% | 0.506 | 28% | 0.283 | S | S | . | . | P | Polyproline II helix | trans | -69.7 | 145.8 | 177 | 27.3 | -31.6 | 0 | 0 | 0 | 112.2 | P1319 C1321 | P1319-P1401 WeakPolarHBondContact O-CD 3.12Å; C1321-P1401 WeakPolarHBondContact CA-O 3.16Å; C1321-P1401 HydrophobicContact CB-CG 4.04Å |
| 1402 | Y | 91.5 | Very high | 87.4 | Confident | 72 Ų | 72 | 51.9 Ų | 51.9 | 28% | 0.282 | 29% | 0.288 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 138.2 | 170.3 | -67.8 | -86.3 | 0 | 0 | 0 | 111.7 | E1355 R1390 V1391 Q1392 | E1355-Y1402 PolarHBondContact OE1-OH 3.16Å; R1390-Y1402 HydrophobicContact CB-CD1 3.84Å; R1390-Y1402 HydrophobicContact CB-CG 4.41Å; R1390-Y1402 HydrophobicContact CG-CD1 3.55Å; R1390-Y1402 HydrophobicContact CG-CE1 3.82Å; R1390-Y1402 HydrophobicContact CG-CG 4.29Å; V1391-Y1402 CarbonylContact O-C 3.53Å; V1391-Y1402 WeakPolarHBondContact O-CA 3.28Å; Q1392-Y1402 HydrophobicContact CB-CD1 3.81Å; Q1392-Y1402 HydrophobicContact CB-CE1 4.12Å; Q1392-Y1402 HydrophobicContact CB-CG 4.05Å; Q1392-Y1402 HydrophobicContact CG-CD1 3.86Å; Q1392-Y1402 HydrophobicContact CG-CE1 3.61Å; Q1392-Y1402 HydrophobicContact CG-CE2 4.49Å; Q1392-Y1402 HydrophobicContact CG-CG 4.4Å; Q1392-Y1402 VanDerWaalsContact NE2-CZ 3.34Å; Q1392-Y1402 PolarHBondContact NE2-OH 2.81Å |
| 1403 | A | 89.1 | Confident | 86.5 | Confident | 7 Ų | 7 | 54 Ų | 54 | 6% | 0.058 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -57.8 | 155.2 | 161.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | P1322 L1325 V1391 | P1322-A1403 HydrophobicContact CB-CB 4.5Å; P1322-A1403 WeakPolarHBondContact O-CB 3.3Å; L1325-A1403 HydrophobicContact CB-CB 4.47Å; L1325-A1403 HydrophobicContact CD2-CB 4.09Å; V1391-A1403 WeakPolarHBondContact O-CB 3.32Å; V1391-A1403 PolarHBondContact O-N 2.92Å |
| 1404 | V | 86 | Confident | 85.6 | Confident | 129 Ų | 129 | 58.5 Ų | 58.5 | 78% | 0.782 | 33% | 0.332 | S | S | * | . | P | Polyproline II helix | trans | -57 | 124.6 | -179.3 | 179.6 | 0 | 0 | 0 | 0 | 109.9 | I1406 | V1404-I1406 PolarHBondContact O-N 3.39Š|
| 1405 | P | 86.5 | Confident | 84.7 | Confident | 80 Ų | 80 | 58.1 Ų | 58.1 | 52% | 0.519 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -68 | 117.7 | -171 | 25 | -34.2 | 0 | 0 | 0 | 111.9 | F1389 R1390 | F1389-P1405 CarbonylContact O-C 3.59Å; F1389-P1405 VanDerWaalsContact O-CA 3.26Å; F1389-P1405 WeakPolarHBondContact O-CA 3.2Å; R1390-P1405 HydrophobicContact CB-CB 4.26Å |
| 1406 | I | 89.3 | Confident | 84.1 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 25% | 0.246 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 147.6 | 177.7 | -167.8 | 165.3 | 0 | 0 | 0 | 110.7 | L1325 A1327 L1337 R1388 F1389 V1404 | L1325-I1406 HydrophobicContact CD2-CB 4.45Å; L1325-I1406 HydrophobicContact CD2-CG2 3.9Å; L1325-I1406 HydrophobicContact CG-CG2 4.07Å; A1327-I1406 HydrophobicContact CB-CD1 4.19Å; A1327-I1406 HydrophobicContact CB-CG1 4.4Å; A1327-I1406 HydrophobicContact CB-CG2 3.81Å; L1337-I1406 HydrophobicContact CD1-CG2 4.08Å; R1388-I1406 CarbonylContact C-O 3.55Å; R1388-I1406 WeakPolarHBondContact CA-O 3.32Å; F1389-I1406 HydrophobicContact CB-CG2 3.94Å; F1389-I1406 PolarHBondContact N-O 3.15Å; F1389-I1406 PolarHBondContact O-N 3.08Å; V1404-I1406 PolarHBondContact O-N 3.39Å |
| 1407 | R | 88.9 | Confident | 83.7 | Confident | 171 Ų | 171 | 58 Ų | 58 | 65% | 0.645 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 133.1 | 173.6 | -73.1 | -175.3 | -175.2 | -164.8 | 1.1 | 110.7 | Y1387 R1388 | Y1387-R1407 WeakPolarHBondContact O-CA 3.11Å; R1388-R1407 HydrophobicContact CG-CG 4.07Å |
| 1408 | A | 86.6 | Confident | 83.7 | Confident | 8 Ų | 8 | 55.4 Ų | 55.4 | 7% | 0.066 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.2 | 170.2 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | A1327 I1335 S1386 Y1387 F1389 | A1327-A1408 HydrophobicContact CB-CB 3.98Å; I1335-A1408 HydrophobicContact CD1-CB 3.96Å; I1335-A1408 HydrophobicContact CG2-CB 4.13Å; S1386-A1408 WeakPolarHBondContact CA-O 3.13Å; S1386-A1408 PolarHBondContact OG-O 2.81Å; Y1387-A1408 PolarHBondContact N-O 3.1Å; Y1387-A1408 PolarHBondContact O-N 3.01Å; F1389-A1408 HydrophobicContact CE2-CB 4.07Å |
| 1409 | V | 85.6 | Confident | 83.7 | Confident | 65 Ų | 65 | 57.6 Ų | 57.6 | 39% | 0.394 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 130.1 | -179.2 | -168.8 | 0 | 0 | 0 | 0 | 107.7 | P1329 T1385 | P1329-V1409 WeakPolarHBondContact CB-O 3.46Å; T1385-V1409 WeakPolarHBondContact O-CA 3.29Å |
| 1410 | T | 84.3 | Confident | 83.7 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.006 | 31% | 0.309 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 157.5 | 172.8 | 52.1 | 0 | 0 | 0 | 0 | 111.5 | I1335 L1381 L1382 P1383 E1384 T1385 Y1387 | I1335-T1410 HydrophobicContact CD1-CG2 4.03Å; I1335-T1410 HydrophobicContact CG1-CG2 4.29Å; L1381-T1410 HydrophobicContact CB-CG2 3.75Å; L1381-T1410 HydrophobicContact CD1-CG2 4.18Å; L1382-T1410 WeakPolarHBondContact O-CG2 3.4Å; L1382-T1410 PolarHBondContact O-OG1 3.48Å; P1383-T1410 VanDerWaalsContact C-OG1 3.29Å; P1383-T1410 WeakPolarHBondContact CA-OG1 3.38Å; E1384-T1410 PolarHBondContact N-OG1 3.37Å; T1385-T1410 PolarHBondContact N-OG1 3.14Å; T1385-T1410 PolarHBondContact O-N 3.07Å; T1385-T1410 PolarHBondContact O-OG1 2.95Å; Y1387-T1410 HydrophobicContact CD2-CG2 4.4Å; Y1387-T1410 HydrophobicContact CE2-CG2 4.09Å |
| 1411 | L | 80 | Confident | 83.7 | Confident | 75 Ų | 75 | 57.8 Ų | 57.8 | 39% | 0.393 | 32% | 0.323 | S | S | . | . | P | Polyproline II helix | trans | -65.5 | 166.3 | -178.4 | -60.3 | 178.9 | 0 | 0 | 0 | 113.7 | P1329 S1331 L1332 E1384 | P1329-L1411 HydrophobicContact CB-CD2 4.5Å; P1329-L1411 HydrophobicContact CG-CD2 4.48Å; S1331-L1411 WeakPolarHBondContact O-CG 3.04Å; S1331-L1411 PolarHBondContact O-N 3.15Å; L1332-L1411 HydrophobicContact CD2-CB 3.98Å; L1332-L1411 WeakPolarHBondContact CD2-O 3.13Å; E1384-L1411 PolarHBondContact N-O 2.91Å; E1384-L1411 VanDerWaalsContact N-O 3.15Å |
| 1412 | S | 70.3 | Confident | 83.8 | Confident | 15 Ų | 15 | 57.1 Ų | 57.1 | 11% | 0.105 | 31% | 0.314 | C | S | . | . | P | Polyproline II helix | trans | -100.8 | 141.9 | -179.4 | -68.1 | 0 | 0 | 0 | 0 | 113.3 | E1384 N1492 | E1384-S1412 WeakPolarHBondContact OE1-CB 3.45Å; E1384-S1412 PolarHBondContact OE1-OG 2.77Å; S1412-N1492 VanDerWaalsContact OG-CB 3.25Å; S1412-N1492 WeakPolarHBondContact OG-CB 3.44Å |
| 1413 | P | 73.7 | Confident | 83.6 | Confident | 63 Ų | 63 | 56.1 Ų | 56.1 | 41% | 0.409 | 32% | 0.321 | S | S | . | . | P | Polyproline II helix | trans | -73 | 155.7 | 169.1 | 31.6 | -34 | 0 | 0 | 0 | 112.2 | ||
| 1414 | P | 74.1 | Confident | 83.6 | Confident | 93 Ų | 93 | 58.2 Ų | 58.2 | 60% | 0.604 | 34% | 0.336 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 151 | -178.9 | -23.5 | 35.2 | 0 | 0 | 0 | 115 | G1493 | P1414-G1493 WeakPolarHBondContact CA-O 3.41Š|
| 1415 | P | 74 | Confident | 83.7 | Confident | 19 Ų | 19 | 54.3 Ų | 54.3 | 12% | 0.123 | 32% | 0.317 | C | S | . | . | P | Polyproline II helix | trans | -66.4 | 139.1 | 178.5 | -21 | 33.2 | 0 | 0 | 0 | 114.4 | A1488 G1494 G1496 | P1415-A1488 HydrophobicContact CB-CB 4.12Å; P1415-G1494 WeakPolarHBondContact CD-O 3.33Å; P1415-G1496 WeakPolarHBondContact O-CA 3.46Å |
| 1416 | V | 76.9 | Confident | 83.6 | Confident | 110 Ų | 110 | 51 Ų | 51 | 67% | 0.667 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -74.5 | 145.1 | 169.9 | -177.6 | 0 | 0 | 0 | 0 | 110.3 | ||
| 1417 | A | 81.1 | Confident | 83.5 | Confident | 23 Ų | 23 | 51.4 Ų | 51.4 | 19% | 0.19 | 30% | 0.298 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 132.6 | 176 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1497 | A1417-A1497 HydrophobicContact CB-CB 4.43Å; A1417-A1497 WeakPolarHBondContact CB-O 3.34Å |
| 1418 | P | 84.4 | Confident | 83.5 | Confident | 2 Ų | 2 | 46.7 Ų | 46.7 | 1% | 0.013 | 29% | 0.285 | C | S | . | . | P | Polyproline II helix | trans | -85.1 | 148.3 | -179.4 | 32.8 | -32.3 | 0 | 0 | 0 | 112.3 | W1434 Y1449 V1486 | P1418-W1434 HydrophobicContact CB-CB 4.5Å; P1418-Y1449 HydrophobicContact CB-CE1 4.09Å; P1418-Y1449 HydrophobicContact CG-CD1 4Å; P1418-Y1449 HydrophobicContact CG-CE1 3.98Å; P1418-V1486 HydrophobicContact CG-CB 4.45Å; P1418-V1486 HydrophobicContact CG-CG1 3.91Å; P1418-V1486 HydrophobicContact CG-CG2 3.83Å; P1418-V1486 WeakPolarHBondContact O-CG1 3.24Å |
| 1419 | L | 86.7 | Confident | 83.8 | Confident | 72 Ų | 72 | 48.4 Ų | 48.4 | 38% | 0.377 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 134.5 | 177.8 | -179.1 | 62.8 | 0 | 0 | 0 | 110.9 | W1434 S1435 | L1419-W1434 CarbonylContact O-C 3.41Å; L1419-W1434 WeakPolarHBondContact O-CA 3.48Å; L1419-W1434 WeakPolarHBondContact O-CB 3.04Å; L1419-S1435 PolarHBondContact N-O 2.87Å; L1419-S1435 PolarHBondContact O-N 3.02Å; L1419-S1435 VanDerWaalsContact O-N 3.1Å |
| 1420 | L | 90.3 | Very high | 84.2 | Confident | 10 Ų | 10 | 45.3 Ų | 45.3 | 5% | 0.052 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.4 | -177.6 | -170.4 | 59.4 | 0 | 0 | 0 | 112.5 | L1432 W1434 F1484 V1486 V1502 F1504 | L1420-L1432 HydrophobicContact CD1-CB 4.34Å; L1420-W1434 HydrophobicContact CD1-CB 4.35Å; L1420-W1434 HydrophobicContact CD1-CE3 3.91Å; L1420-F1484 HydrophobicContact CD2-CB 3.76Å; L1420-V1486 HydrophobicContact CB-CG1 3.86Å; L1420-V1486 HydrophobicContact CD1-CB 4.38Å; L1420-V1486 HydrophobicContact CD1-CG1 4.07Å; L1420-V1486 HydrophobicContact CD2-CG1 4.25Å; L1420-V1486 HydrophobicContact CG-CG1 4.28Å; L1420-V1502 HydrophobicContact CB-CG2 4.29Å; L1420-F1504 HydrophobicContact CG-CE2 4.29Å |
| 1421 | E | 89.3 | Confident | 84.6 | Confident | 73 Ų | 73 | 49.4 Ų | 49.4 | 34% | 0.341 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 154.4 | -174.8 | -61.1 | 179.7 | 146.6 | 0 | 0 | 112.3 | L1432 K1433 | E1421-L1432 WeakPolarHBondContact O-CA 3.18Å; E1421-K1433 PolarHBondContact N-O 3.33Å; E1421-K1433 PolarHBondContact O-N 2.95Å; E1421-K1433 IonicContact OE2-NZ 2.74Å; E1421-K1433 PolarHBondContact OE2-NZ 2.97Å |
| 1422 | L | 91.7 | Very high | 85.3 | Confident | 63 Ų | 63 | 45.9 Ų | 45.9 | 33% | 0.33 | 27% | 0.272 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 112.6 | 168.9 | -179.8 | 65.8 | 0 | 0 | 0 | 110.6 | A1425 L1430 L1432 F1504 | L1422-A1425 HydrophobicContact CD2-CB 4.38Å; L1422-L1430 HydrophobicContact CD1-CB 4.06Å; L1422-L1430 HydrophobicContact CD1-CD2 3.73Å; L1422-L1430 HydrophobicContact CD1-CG 4.44Å; L1422-L1430 HydrophobicContact CD2-CD2 4.45Å; L1422-L1432 HydrophobicContact CD1-CD2 4.22Å; L1422-F1504 HydrophobicContact CB-CD1 3.64Å; L1422-F1504 HydrophobicContact CB-CD2 4.41Å; L1422-F1504 HydrophobicContact CB-CE1 3.67Å; L1422-F1504 HydrophobicContact CB-CE2 4.45Å; L1422-F1504 HydrophobicContact CB-CG 4.03Å; L1422-F1504 HydrophobicContact CB-CZ 4.09Å; L1422-F1504 HydrophobicContact CD1-CB 4.38Å; L1422-F1504 HydrophobicContact CD1-CG 4.36Å; L1422-F1504 HydrophobicContact CD2-CB 4.22Å; L1422-F1504 HydrophobicContact CD2-CD1 4.1Å; L1422-F1504 HydrophobicContact CD2-CG 4.32Å; L1422-F1504 HydrophobicContact CG-CD1 4.37Å; L1422-F1504 HydrophobicContact CG-CG 4.47Å |
| 1423 | A | 87.9 | Confident | 86.3 | Confident | 52 Ų | 52 | 49.2 Ų | 49.2 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | -28.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | K1431 K1433 | A1423-K1431 WeakPolarHBondContact CA-O 3.32Å; A1423-K1431 HydrophobicContact CB-CB 4.48Å; A1423-K1431 HydrophobicContact CB-CD 4.21Å; A1423-K1431 HydrophobicContact CB-CG 4.25Å; A1423-K1431 WeakPolarHBondContact CB-O 3.44Å; A1423-K1431 PolarHBondContact N-O 2.87Å; A1423-K1433 HydrophobicContact CB-CB 3.96Å |
| 1424 | S | 88.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 46.3 Ų | 46.3 | 36% | 0.357 | 27% | 0.265 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -168.6 | 146.7 | 165 | 57.8 | 0 | 0 | 0 | 0 | 112.8 | K1431 | S1424-K1431 PolarHBondContact N-O 2.9Å; S1424-K1431 PolarHBondContact O-N 2.74Å; S1424-K1431 WeakPolarHBondContact OG-CB 3.49Å |
| 1425 | A | 87.7 | Confident | 87.5 | Confident | 46 Ų | 46 | 43.7 Ų | 43.7 | 38% | 0.38 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 141.1 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | L1422 L1430 C1505 | L1422-A1425 HydrophobicContact CD2-CB 4.38Å; A1425-L1430 HydrophobicContact CB-CD2 3.82Å; A1425-C1505 WeakPolarHBondContact CB-O 3.33Å |
| 1426 | G | 84.5 | Confident | 87.2 | Confident | 10 Ų | 10 | 44.3 Ų | 44.3 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 174.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | N1428 F1429 T1506 G1507 | G1426-N1428 PolarHBondContact O-N 2.87Å; G1426-F1429 PolarHBondContact N-O 3.12Å; G1426-T1506 WeakPolarHBondContact O-CB 3.27Å; G1426-G1507 PolarHBondContact O-N 2.99Å |
| 1427 | H | 86.2 | Confident | 86.5 | Confident | 58 Ų | 58 | 45.1 Ų | 45.1 | 27% | 0.269 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -24.2 | 179.1 | 59.9 | -93.8 | 0 | 0 | 0 | 114 | E1478 T1509 | H1427-E1478 HydrophobicContact CB-CG 3.9Å; H1427-E1478 WeakPolarHBondContact CB-OE1 3.4Å; H1427-E1478 WeakPolarHBondContact O-CA 3.35Å; H1427-E1478 WeakPolarHBondContact O-CB 3.42Å; H1427-E1478 PolarHBondContact O-N 3.3Å; H1427-T1509 VanDerWaalsContact CB-OG1 3.29Å; H1427-T1509 WeakPolarHBondContact CB-OG1 3.41Å; H1427-T1509 VanDerWaalsContact CG-OG1 3.29Å |
| 1428 | N | 90 | Very high | 85.2 | Confident | 72 Ų | 72 | 54.7 Ų | 54.7 | 39% | 0.385 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -133 | 17.4 | -179.4 | 64.4 | 9.1 | 0 | 0 | 0 | 114.7 | G1426 P1474 R1475 L1476 | G1426-N1428 PolarHBondContact O-N 2.87Å; N1428-P1474 CarbonylContact O-C 3.21Å; N1428-R1475 PolarHBondContact O-N 3.42Å; N1428-L1476 VanDerWaalsContact CA-O 3.27Å; N1428-L1476 WeakPolarHBondContact CA-O 3.2Å; N1428-L1476 PolarHBondContact O-N 3.05Å; N1428-L1476 VanDerWaalsContact O-N 3.14Å |
| 1429 | F | 92.6 | Very high | 83.2 | Confident | 44 Ų | 44 | 66.5 Ų | 66.5 | 19% | 0.193 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 157.7 | 178.8 | 71 | -100 | 0 | 0 | 0 | 113.7 | G1426 K1472 V1473 | G1426-F1429 PolarHBondContact N-O 3.12Å; F1429-K1472 VanDerWaalsContact CB-CE 3.46Å; F1429-K1472 HydrophobicContact CB-CG 4.3Å; F1429-K1472 VanDerWaalsContact CD1-CE 3.45Å; F1429-K1472 HydrophobicContact CD2-CD 4.34Å; F1429-K1472 HydrophobicContact CD2-CG 4.21Å; F1429-K1472 HydrophobicContact CG-CD 4.4Å; F1429-K1472 HydrophobicContact CG-CG 4.45Å; F1429-V1473 VanDerWaalsContact CA-O 3.23Å; F1429-V1473 WeakPolarHBondContact CA-O 3.37Å; F1429-V1473 WeakPolarHBondContact CB-O 3.14Å |
| 1430 | L | 93.8 | Very high | 80.9 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 135.6 | 163.5 | -64.6 | 171.4 | 0 | 0 | 0 | 108.3 | L1422 A1425 L1432 V1473 L1476 Y1482 F1484 F1504 C1505 T1506 | L1422-L1430 HydrophobicContact CD1-CB 4.06Å; L1422-L1430 HydrophobicContact CD1-CD2 3.73Å; L1422-L1430 HydrophobicContact CD1-CG 4.44Å; L1422-L1430 HydrophobicContact CD2-CD2 4.45Å; A1425-L1430 HydrophobicContact CB-CD2 3.82Å; L1430-L1432 HydrophobicContact CB-CD2 4.28Å; L1430-V1473 PolarHBondContact N-O 2.94Å; L1430-V1473 PolarHBondContact O-N 2.88Å; L1430-L1476 HydrophobicContact CB-CD1 3.87Å; L1430-L1476 HydrophobicContact CD1-CD1 3.68Å; L1430-L1476 HydrophobicContact CG-CD1 3.56Å; L1430-Y1482 HydrophobicContact CD1-CD2 4.33Å; L1430-F1484 HydrophobicContact CD1-CE2 3.66Å; L1430-F1484 HydrophobicContact CD1-CZ 3.98Å; L1430-F1504 HydrophobicContact CD1-CB 3.85Å; L1430-F1504 HydrophobicContact CD2-CB 4.38Å; L1430-C1505 WeakPolarHBondContact CD2-O 3.39Å; L1430-T1506 HydrophobicContact CD2-CG2 4.19Å; L1430-T1506 HydrophobicContact CG-CG2 4.07Å |
| 1431 | K | 92.8 | Very high | 78.4 | Confident | 87 Ų | 87 | 72.5 Ų | 72.5 | 38% | 0.378 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 109.7 | 171.2 | -170.7 | -172.7 | 177.8 | -172 | 0 | 108 | A1423 S1424 C1471 | A1423-K1431 WeakPolarHBondContact CA-O 3.32Å; A1423-K1431 HydrophobicContact CB-CB 4.48Å; A1423-K1431 HydrophobicContact CB-CD 4.21Å; A1423-K1431 HydrophobicContact CB-CG 4.25Å; A1423-K1431 WeakPolarHBondContact CB-O 3.44Å; A1423-K1431 PolarHBondContact N-O 2.87Å; S1424-K1431 PolarHBondContact N-O 2.9Å; S1424-K1431 PolarHBondContact O-N 2.74Å; S1424-K1431 WeakPolarHBondContact OG-CB 3.49Å; K1431-C1471 CarbonylContact C-O 3.59Å; K1431-C1471 WeakPolarHBondContact CA-O 3.38Å; K1431-C1471 WeakPolarHBondContact CG-O 3.39Å |
| 1432 | L | 93.5 | Very high | 76 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 147.1 | 179.5 | -50.7 | -178.6 | 0 | 0 | 0 | 109.7 | L1420 E1421 L1422 L1430 W1434 V1451 S1470 C1471 V1473 F1484 F1504 | L1420-L1432 HydrophobicContact CD1-CB 4.34Å; E1421-L1432 WeakPolarHBondContact O-CA 3.18Å; L1422-L1432 HydrophobicContact CD1-CD2 4.22Å; L1430-L1432 HydrophobicContact CB-CD2 4.28Å; L1432-W1434 HydrophobicContact CB-CZ3 4.17Å; L1432-V1451 HydrophobicContact CD1-CG1 4.2Å; L1432-S1470 CarbonylContact O-C 3.53Å; L1432-S1470 WeakPolarHBondContact O-CA 3.48Å; L1432-S1470 WeakPolarHBondContact O-CB 3.44Å; L1432-C1471 PolarHBondContact N-O 2.86Å; L1432-C1471 PolarHBondContact O-N 2.67Å; L1432-C1471 VanDerWaalsContact O-O 3.08Å; L1432-V1473 HydrophobicContact CD1-CG2 3.98Å; L1432-V1473 HydrophobicContact CG-CG2 4.31Å; L1432-F1484 HydrophobicContact CD1-CB 4.12Å; L1432-F1484 HydrophobicContact CD1-CD1 3.56Å; L1432-F1484 HydrophobicContact CD1-CD2 4.07Å; L1432-F1484 HydrophobicContact CD1-CE1 3.89Å; L1432-F1484 HydrophobicContact CD1-CE2 4.36Å; L1432-F1484 HydrophobicContact CD1-CG 3.65Å; L1432-F1484 HydrophobicContact CD1-CZ 4.28Å; L1432-F1484 HydrophobicContact CD2-CD2 4.32Å; L1432-F1484 HydrophobicContact CD2-CE2 4.38Å; L1432-F1504 HydrophobicContact CD2-CD2 3.51Å; L1432-F1504 HydrophobicContact CD2-CE2 3.73Å |
| 1433 | K | 92.6 | Very high | 73.8 | Confident | 85 Ų | 85 | 77.3 Ų | 77.3 | 37% | 0.37 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 150.9 | 175.4 | 168.2 | 176.9 | 167.3 | -91.2 | 0 | 108 | E1421 A1423 | E1421-K1433 PolarHBondContact N-O 3.33Å; E1421-K1433 PolarHBondContact O-N 2.95Å; E1421-K1433 IonicContact OE2-NZ 2.74Å; E1421-K1433 PolarHBondContact OE2-NZ 2.97Å; A1423-K1433 HydrophobicContact CB-CB 3.96Å |
| 1434 | W | 91.4 | Very high | 72 | Confident | 2 Ų | 2 | 77.3 Ų | 77.3 | 1% | 0.008 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 161.9 | 172.1 | 47.9 | 97.3 | 0 | 0 | 0 | 112.2 | P1418 L1419 L1420 L1432 Y1449 V1451 Y1464 A1468 K1469 S1470 C1471 V1486 | P1418-W1434 HydrophobicContact CB-CB 4.5Å; L1419-W1434 CarbonylContact O-C 3.41Å; L1419-W1434 WeakPolarHBondContact O-CA 3.48Å; L1419-W1434 WeakPolarHBondContact O-CB 3.04Å; L1420-W1434 HydrophobicContact CD1-CB 4.35Å; L1420-W1434 HydrophobicContact CD1-CE3 3.91Å; L1432-W1434 HydrophobicContact CB-CZ3 4.17Å; W1434-Y1449 AromaticContact CD1-CD1 3.51Å; W1434-Y1449 AromaticContact CD1-CE1 3.68Å; W1434-Y1449 AromaticContact CD1-CG 3.81Å; W1434-Y1449 AromaticContact NE1-CD1 3.32Å; W1434-Y1449 VanDerWaalsContact NE1-CD1 3.32Å; W1434-Y1449 AromaticContact NE1-CD2 3.5Å; W1434-Y1449 AromaticContact NE1-CE1 3.86Å; W1434-Y1449 AromaticContact NE1-CG 3.11Å; W1434-V1451 HydrophobicContact CD2-CG2 4.45Å; W1434-V1451 HydrophobicContact CE3-CG2 4.09Å; W1434-V1451 HydrophobicContact CH2-CG2 3.48Å; W1434-V1451 VanDerWaalsContact CH2-CG2 3.48Å; W1434-V1451 HydrophobicContact CZ2-CG2 3.86Å; W1434-V1451 HydrophobicContact CZ3-CG2 3.62Å; W1434-Y1464 AromaticContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CE1 4.02Å; W1434-Y1464 HydrophobicContact CH2-CG 4.02Å; W1434-Y1464 AromaticContact CZ2-CD1 3.52Å; W1434-Y1464 HydrophobicContact CZ2-CD1 3.52Å; W1434-Y1464 AromaticContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CG 4.43Å; W1434-A1468 WeakPolarHBondContact CZ2-O 3.37Å; W1434-K1469 PolarHBondContact N-O 3.11Å; W1434-S1470 VanDerWaalsContact CH2-C 3.45Å; W1434-C1471 HydrophobicContact CH2-CB 3.84Å; W1434-C1471 HydrophobicContact CZ3-CB 4.16Å; W1434-V1486 HydrophobicContact CD2-CG2 4.27Å; W1434-V1486 HydrophobicContact CG-CG2 4.18Å |
| 1435 | S | 81.4 | Confident | 70.3 | Confident | 39 Ų | 39 | 78.7 Ų | 78.7 | 27% | 0.273 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 145.9 | 178.9 | 50 | 0 | 0 | 0 | 0 | 111.1 | L1419 | L1419-S1435 PolarHBondContact N-O 2.87Å; L1419-S1435 PolarHBondContact O-N 3.02Å; L1419-S1435 VanDerWaalsContact O-N 3.1Å |
| 1436 | D | 68.6 | Low | 69.2 | Low | 31 Ų | 31 | 78.8 Ų | 78.8 | 17% | 0.166 | 43% | 0.425 | C | S | . | . | trans | -75.3 | 143.6 | 178.7 | -46 | -42.8 | 0 | 0 | 0 | 109.7 | R1438 R1447 Y1449 K1469 | D1436-R1438 PolarHBondContact O-N 2.8Å; D1436-R1447 IonicContact OD2-NH1 2.78Å; D1436-R1447 PolarHBondContact OD2-NH1 2.84Å; D1436-Y1449 VanDerWaalsContact CG-OH 3.24Å; D1436-Y1449 WeakPolarHBondContact OD1-CE1 3.48Å; D1436-Y1449 PolarHBondContact OD1-OH 2.98Å; D1436-Y1449 PolarHBondContact OD2-OH 2.77Å; D1436-K1469 IonicContact OD2-NZ 2.6Å; D1436-K1469 PolarHBondContact OD2-NZ 2.83Å | ||
| 1437 | H | 60.4 | Low | 68.9 | Low | 127 Ų | 127 | 82 Ų | 82 | 59% | 0.588 | 43% | 0.434 | S | S | * | . | S | Bend | trans | -70.2 | 12.4 | -168.9 | -99.5 | -71.3 | 0 | 0 | 0 | 116.4 | ||
| 1438 | R | 53.8 | Low | 68.8 | Low | 225 Ų | 225 | 81.9 Ų | 81.9 | 85% | 0.849 | 44% | 0.438 | S | S | * | . | S | Bend | trans | -138 | 149.8 | 171.5 | -73.2 | -171.2 | 175.1 | -163.4 | -0.2 | 110.4 | D1436 S1440 | D1436-R1438 PolarHBondContact O-N 2.8Å; R1438-S1440 PolarHBondContact O-N 2.84Å |
| 1439 | R | 44.1 | Very low | 68.8 | Low | 249 Ų | 249 | 78.5 Ų | 78.5 | 94% | 0.94 | 42% | 0.42 | S | S | * | . | trans | -70.5 | 79.5 | 165.5 | -64.4 | -177 | -171.2 | 173.8 | 4 | 109.5 | ||||
| 1440 | S | 38.1 | Very low | 68.8 | Low | 61 Ų | 61 | 77.8 Ų | 77.8 | 43% | 0.427 | 42% | 0.417 | S | S | . | . | trans | -69.5 | 133.4 | 165.3 | -172.5 | 0 | 0 | 0 | 0 | 109.1 | R1438 | R1438-S1440 PolarHBondContact O-N 2.84Š| ||
| 1441 | T | 37.6 | Very low | 68.7 | Low | 147 Ų | 147 | 77.9 Ų | 77.9 | 90% | 0.902 | 42% | 0.417 | S | S | * | . | trans | -111.2 | 11.1 | 177.3 | 52.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1442 | A | 39.2 | Very low | 68.7 | Low | 73 Ų | 73 | 75.2 Ų | 75.2 | 60% | 0.603 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -99.1 | 157.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1444 | A1442-D1444 PolarHBondContact O-N 3.4Å; A1442-D1444 VanDerWaalsContact O-N 3.11Å |
| 1443 | D | 45.1 | Very low | 68.7 | Low | 165 Ų | 165 | 76.9 Ų | 76.9 | 88% | 0.882 | 41% | 0.414 | S | S | * | . | trans | -71.7 | 101.1 | -171.9 | -157.3 | 1.3 | 0 | 0 | 0 | 111.6 | G1445 | D1443-G1445 PolarHBondContact O-N 2.8Š| ||
| 1444 | D | 49 | Very low | 68.6 | Low | 52 Ų | 52 | 76.4 Ų | 76.4 | 28% | 0.278 | 41% | 0.413 | S | S | . | . | trans | -68.6 | 21.8 | -172.1 | -96.4 | -28.3 | 0 | 0 | 0 | 114.6 | A1442 G1446 R1447 K1469 | A1442-D1444 PolarHBondContact O-N 3.4Å; A1442-D1444 VanDerWaalsContact O-N 3.11Å; D1444-G1446 PolarHBondContact O-N 2.66Å; D1444-R1447 PolarHBondContact O-N 2.73Å; D1444-R1447 IonicContact OD1-CZ 2.67Å; D1444-R1447 IonicContact OD1-NE 3.24Å; D1444-R1447 IonicContact OD1-NH1 3.7Å; D1444-R1447 PolarHBondContact OD1-NH1 2.79Å; D1444-R1447 IonicContact OD1-NH2 2.79Å; D1444-R1447 IonicContact OD2-NH1 2.67Å; D1444-K1469 IonicContact OD2-NZ 2.72Å; D1444-K1469 PolarHBondContact OD2-NZ 3.38Å | ||
| 1445 | G | 53.3 | Low | 68.2 | Low | 79 Ų | 79 | 79.5 Ų | 79.5 | 81% | 0.814 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | 18.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 118.2 | D1443 | D1443-G1445 PolarHBondContact O-N 2.8Š|
| 1446 | G | 66.1 | Low | 67.9 | Low | 49 Ų | 49 | 89.6 Ų | 89.6 | 51% | 0.505 | 46% | 0.462 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -141.4 | 6.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | D1444 | D1444-G1446 PolarHBondContact O-N 2.66Š|
| 1447 | R | 77 | Confident | 68.4 | Low | 76 Ų | 76 | 96 Ų | 96 | 29% | 0.287 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 132.2 | -179.7 | -69.8 | -177.1 | 176 | 149.6 | 10.7 | 112.8 | D1436 D1444 Y1449 S1489 | D1436-R1447 IonicContact OD2-NH1 2.78Å; D1436-R1447 PolarHBondContact OD2-NH1 2.84Å; D1444-R1447 PolarHBondContact O-N 2.73Å; D1444-R1447 IonicContact OD1-CZ 2.67Å; D1444-R1447 IonicContact OD1-NE 3.24Å; D1444-R1447 IonicContact OD1-NH1 3.7Å; D1444-R1447 PolarHBondContact OD1-NH1 2.79Å; D1444-R1447 IonicContact OD1-NH2 2.79Å; D1444-R1447 IonicContact OD2-NH1 2.67Å; R1447-Y1449 HydrophobicContact CB-CE2 4.38Å; R1447-S1489 WeakPolarHBondContact CA-O 3.36Å |
| 1448 | T | 85 | Confident | 69.3 | Low | 57 Ų | 57 | 91.9 Ų | 91.9 | 35% | 0.35 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 136.3 | 166.8 | 51.9 | 0 | 0 | 0 | 0 | 110.9 | A1488 S1489 | T1448-A1488 CarbonylContact O-C 3.56Å; T1448-A1488 WeakPolarHBondContact O-CA 3.3Å; T1448-S1489 PolarHBondContact N-O 2.96Å; T1448-S1489 VanDerWaalsContact N-O 3.16Å; T1448-S1489 PolarHBondContact O-N 2.85Å |
| 1449 | Y | 90 | Very high | 70.6 | Confident | 1 Ų | 1 | 82.6 Ų | 82.6 | 0% | 0.004 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 142.9 | 178.7 | -63.2 | -82.6 | 0 | 0 | 0 | 110.9 | P1418 W1434 D1436 R1447 E1465 G1466 K1469 R1487 A1488 | P1418-Y1449 HydrophobicContact CB-CE1 4.09Å; P1418-Y1449 HydrophobicContact CG-CD1 4Å; P1418-Y1449 HydrophobicContact CG-CE1 3.98Å; W1434-Y1449 AromaticContact CD1-CD1 3.51Å; W1434-Y1449 AromaticContact CD1-CE1 3.68Å; W1434-Y1449 AromaticContact CD1-CG 3.81Å; W1434-Y1449 AromaticContact NE1-CD1 3.32Å; W1434-Y1449 VanDerWaalsContact NE1-CD1 3.32Å; W1434-Y1449 AromaticContact NE1-CD2 3.5Å; W1434-Y1449 AromaticContact NE1-CE1 3.86Å; W1434-Y1449 AromaticContact NE1-CG 3.11Å; D1436-Y1449 VanDerWaalsContact CG-OH 3.24Å; D1436-Y1449 WeakPolarHBondContact OD1-CE1 3.48Å; D1436-Y1449 PolarHBondContact OD1-OH 2.98Å; D1436-Y1449 PolarHBondContact OD2-OH 2.77Å; R1447-Y1449 HydrophobicContact CB-CE2 4.38Å; Y1449-E1465 WeakPolarHBondContact O-CA 3.31Å; Y1449-G1466 PolarHBondContact N-O 2.92Å; Y1449-G1466 PolarHBondContact O-N 2.85Å; Y1449-K1469 HydrophobicContact CE2-CD 4.21Å; Y1449-K1469 HydrophobicContact CE2-CG 3.79Å; Y1449-K1469 WeakPolarHBondContact OH-CE 3.01Å; Y1449-K1469 PolarHBondContact OH-NZ 2.81Å; Y1449-K1469 VanDerWaalsContact OH-NZ 3.16Å; Y1449-R1487 VanDerWaalsContact CA-O 3.31Å; Y1449-R1487 WeakPolarHBondContact CA-O 3.43Å; Y1449-A1488 HydrophobicContact CD1-CB 3.88Å; Y1449-A1488 HydrophobicContact CE1-CB 3.83Å |
| 1450 | F | 91.1 | Very high | 72.7 | Confident | 29 Ų | 29 | 73.4 Ų | 73.4 | 13% | 0.127 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 127 | 176.9 | -55.3 | -102.8 | 0 | 0 | 0 | 108 | Y1464 E1465 V1486 R1487 W1498 | F1450-Y1464 CarbonylContact C-O 3.43Å; F1450-Y1464 WeakPolarHBondContact CA-O 3.31Å; F1450-E1465 HydrophobicContact CD1-CB 4.4Å; F1450-E1465 HydrophobicContact CD1-CG 3.77Å; F1450-E1465 VanDerWaalsContact CE1-CD 3.44Å; F1450-E1465 HydrophobicContact CE1-CG 3.7Å; F1450-E1465 WeakPolarHBondContact CE1-OE1 3.28Å; F1450-E1465 HydrophobicContact CZ-CG 4.48Å; F1450-V1486 CarbonylContact O-C 3.53Å; F1450-V1486 WeakPolarHBondContact O-CA 3.4Å; F1450-V1486 WeakPolarHBondContact O-CG2 3.25Å; F1450-R1487 HydrophobicContact CB-CG 3.9Å; F1450-R1487 HydrophobicContact CD2-CG 4.01Å; F1450-R1487 HydrophobicContact CG-CG 4.31Å; F1450-R1487 PolarHBondContact N-O 2.65Å; F1450-R1487 PolarHBondContact O-N 3.15Å; F1450-W1498 HydrophobicContact CB-CH2 4.06Å; F1450-W1498 HydrophobicContact CB-CZ3 4.33Å; F1450-W1498 WeakPolarHBondContact O-CZ3 3.45Å |
| 1451 | V | 92.3 | Very high | 75 | Confident | 1 Ų | 1 | 72.5 Ų | 72.5 | 1% | 0.006 | 42% | 0.423 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 131.8 | 175.1 | -170.2 | 0 | 0 | 0 | 0 | 109.3 | L1432 W1434 V1463 Y1464 R1485 V1486 | L1432-V1451 HydrophobicContact CD1-CG1 4.2Å; W1434-V1451 HydrophobicContact CD2-CG2 4.45Å; W1434-V1451 HydrophobicContact CE3-CG2 4.09Å; W1434-V1451 HydrophobicContact CH2-CG2 3.48Å; W1434-V1451 VanDerWaalsContact CH2-CG2 3.48Å; W1434-V1451 HydrophobicContact CZ2-CG2 3.86Å; W1434-V1451 HydrophobicContact CZ3-CG2 3.62Å; V1451-V1463 HydrophobicContact CB-CG2 4.2Å; V1451-V1463 HydrophobicContact CG1-CG2 3.93Å; V1451-V1463 WeakPolarHBondContact O-CG2 3.34Å; V1451-V1463 PolarHBondContact O-N 3Å; V1451-Y1464 HydrophobicContact CG2-CD1 4.24Å; V1451-Y1464 PolarHBondContact N-O 2.94Å; V1451-Y1464 PolarHBondContact O-N 2.86Å; V1451-Y1464 VanDerWaalsContact O-N 3.12Å; V1451-R1485 CarbonylContact C-O 3.57Å; V1451-R1485 VanDerWaalsContact CA-O 3.31Å; V1451-R1485 WeakPolarHBondContact CA-O 3.23Å; V1451-R1485 WeakPolarHBondContact CG1-O 3.33Å; V1451-V1486 HydrophobicContact CG2-CB 4.12Å; V1451-V1486 HydrophobicContact CG2-CG2 3.8Å |
| 1452 | E | 93.4 | Very high | 77.4 | Confident | 32 Ų | 32 | 70.4 Ų | 70.4 | 15% | 0.15 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 150.5 | 174.7 | -62.8 | 173.6 | 163.4 | 0 | 0 | 111.2 | H1460 S1461 F1484 R1485 W1498 | E1452-H1460 HydrophobicContact CB-CB 3.91Å; E1452-H1460 VanDerWaalsContact OE2-CB 3.26Å; E1452-H1460 WeakPolarHBondContact OE2-CB 3.24Å; E1452-S1461 CarbonylContact C-O 3.51Å; E1452-S1461 WeakPolarHBondContact CA-O 3.43Å; E1452-S1461 WeakPolarHBondContact CB-O 3.16Å; E1452-F1484 CarbonylContact O-C 3.59Å; E1452-F1484 WeakPolarHBondContact O-CA 3.44Å; E1452-R1485 HydrophobicContact CB-CG 4.21Å; E1452-R1485 PolarHBondContact N-O 2.86Å; E1452-R1485 PolarHBondContact O-N 3.34Å; E1452-R1485 IonicContact OE2-CZ 3.24Å; E1452-R1485 IonicContact OE2-NE 3.02Å; E1452-R1485 PolarHBondContact OE2-NE 3.42Å; E1452-R1485 IonicContact OE2-NH2 2.81Å; E1452-R1485 PolarHBondContact OE2-NH2 2.88Å; E1452-W1498 HydrophobicContact CG-CH2 3.56Å; E1452-W1498 HydrophobicContact CG-CZ2 4.36Å; E1452-W1498 HydrophobicContact CG-CZ3 4.01Å; E1452-W1498 WeakPolarHBondContact OE1-CH2 3.48Å; E1452-W1498 WeakPolarHBondContact OE1-CZ2 3.34Å |
| 1453 | M | 92.9 | Very high | 79.7 | Confident | 35 Ų | 35 | 69.1 Ų | 69.1 | 17% | 0.172 | 40% | 0.397 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.9 | 174.4 | -175.8 | 178.8 | 68.5 | 0 | 0 | 109.5 | H1460 S1461 V1463 V1473 L1476 Y1482 T1483 F1484 | M1453-H1460 CarbonylContact O-C 3.57Å; M1453-H1460 WeakPolarHBondContact O-CA 3.45Å; M1453-S1461 PolarHBondContact N-O 2.93Å; M1453-S1461 PolarHBondContact O-N 3.28Å; M1453-S1461 PolarHBondContact O-OG 2.91Å; M1453-V1463 HydrophobicContact CB-CB 4.44Å; M1453-V1463 HydrophobicContact CB-CG1 3.49Å; M1453-V1463 VanDerWaalsContact CB-CG1 3.49Å; M1453-V1463 HydrophobicContact CB-CG2 4.09Å; M1453-V1463 HydrophobicContact CE-CG1 4.18Å; M1453-V1463 HydrophobicContact SD-CG1 4.34Å; M1453-V1473 HydrophobicContact SD-CG1 4.4Å; M1453-L1476 HydrophobicContact SD-CD2 4.15Å; M1453-Y1482 HydrophobicContact SD-CD1 3.77Å; M1453-Y1482 HydrophobicContact SD-CE1 4.41Å; M1453-Y1482 HydrophobicContact SD-CG 4.44Å; M1453-T1483 CarbonylContact C-O 3.38Å; M1453-T1483 WeakPolarHBondContact CA-O 3.44Å; M1453-F1484 HydrophobicContact CB-CD1 3.64Å; M1453-F1484 HydrophobicContact CB-CE1 3.58Å; M1453-F1484 HydrophobicContact CG-CD1 3.82Å; M1453-F1484 HydrophobicContact CG-CE1 3.41Å; M1453-F1484 VanDerWaalsContact CG-CE1 3.41Å; M1453-F1484 HydrophobicContact CG-CZ 3.94Å; M1453-F1484 HydrophobicContact SD-CE1 3.62Å; M1453-F1484 HydrophobicContact SD-CZ 3.87Å |
| 1454 | E | 91.4 | Very high | 82 | Confident | 75 Ų | 75 | 63.9 Ų | 63.9 | 35% | 0.35 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 135 | 174 | -170.2 | -179.3 | -168.2 | 0 | 0 | 111.5 | T1483 | E1454-T1483 PolarHBondContact N-O 3.43Å; E1454-T1483 WeakPolarHBondContact OE2-CB 2.85Å; E1454-T1483 PolarHBondContact OE2-OG1 3.09Å |
| 1455 | N | 82.3 | Confident | 84 | Confident | 67 Ų | 67 | 67.9 Ų | 67.9 | 36% | 0.358 | 38% | 0.382 | S | S | . | . | trans | -96.7 | 171.4 | 176.5 | 78.3 | 31 | 0 | 0 | 0 | 111.8 | L1457 G1458 G1459 | N1455-L1457 PolarHBondContact O-N 3.45Å; N1455-L1457 WeakPolarHBondContact OD1-CA 3.22Å; N1455-L1457 WeakPolarHBondContact OD1-CB 3.31Å; N1455-L1457 PolarHBondContact OD1-N 3.41Å; N1455-G1458 PolarHBondContact O-N 2.9Å; N1455-G1458 PolarHBondContact OD1-N 3.08Å; N1455-G1459 VanDerWaalsContact CB-O 3.31Å; N1455-G1459 WeakPolarHBondContact CB-O 3.2Å; N1455-G1459 PolarHBondContact N-O 3.46Å; N1455-G1459 PolarHBondContact ND2-O 3.25Å; N1455-G1459 PolarHBondContact OD1-N 3.09Å; N1455-G1459 VanDerWaalsContact OD1-N 3.07Å; N1455-G1459 PolarHBondContact OD1-O 2.98Å | ||
| 1456 | R | 76.2 | Confident | 85.6 | Confident | 251 Ų | 251 | 64.6 Ų | 64.6 | 95% | 0.947 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.3 | -2.2 | -178 | -67.2 | -174.6 | 178 | -179.5 | -0.9 | 115.6 | ||
| 1457 | L | 78.8 | Confident | 86.7 | Confident | 164 Ų | 164 | 66.9 Ų | 66.9 | 86% | 0.859 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.4 | 11 | 177.1 | -55.2 | 172.9 | 0 | 0 | 0 | 111.9 | N1455 G1459 | N1455-L1457 PolarHBondContact O-N 3.45Å; N1455-L1457 WeakPolarHBondContact OD1-CA 3.22Å; N1455-L1457 WeakPolarHBondContact OD1-CB 3.31Å; N1455-L1457 PolarHBondContact OD1-N 3.41Å; L1457-G1459 PolarHBondContact O-N 2.82Å |
| 1458 | G | 78.6 | Confident | 87.1 | Confident | 42 Ų | 42 | 65.4 Ų | 65.4 | 43% | 0.433 | 36% | 0.358 | S | S | . | . | S | Bend | trans | 74.9 | 4.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | N1455 | N1455-G1458 PolarHBondContact O-N 2.9Å; N1455-G1458 PolarHBondContact OD1-N 3.08Å |
| 1459 | G | 81.8 | Confident | 87.2 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | trans | -84.5 | 132.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | N1455 L1457 | N1455-G1459 VanDerWaalsContact CB-O 3.31Å; N1455-G1459 WeakPolarHBondContact CB-O 3.2Å; N1455-G1459 PolarHBondContact N-O 3.46Å; N1455-G1459 PolarHBondContact ND2-O 3.25Å; N1455-G1459 PolarHBondContact OD1-N 3.09Å; N1455-G1459 VanDerWaalsContact OD1-N 3.07Å; N1455-G1459 PolarHBondContact OD1-O 2.98Å; L1457-G1459 PolarHBondContact O-N 2.82Å | ||
| 1460 | H | 86.5 | Confident | 87.2 | Confident | 57 Ų | 57 | 68.5 Ų | 68.5 | 26% | 0.264 | 37% | 0.373 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 137.9 | 172.8 | -64.3 | -73.7 | 0 | 0 | 0 | 111.2 | E1452 M1453 R1485 | E1452-H1460 HydrophobicContact CB-CB 3.91Å; E1452-H1460 VanDerWaalsContact OE2-CB 3.26Å; E1452-H1460 WeakPolarHBondContact OE2-CB 3.24Å; M1453-H1460 CarbonylContact O-C 3.57Å; M1453-H1460 WeakPolarHBondContact O-CA 3.45Å; H1460-R1485 PolarHBondContact CD2-NH1 3.42Å; H1460-R1485 VanDerWaalsContact CD2-NH1 3.3Å |
| 1461 | S | 86.4 | Confident | 87.2 | Confident | 42 Ų | 42 | 67.7 Ų | 67.7 | 29% | 0.294 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 140.8 | 177.4 | 61 | 0 | 0 | 0 | 0 | 111.8 | E1452 M1453 V1463 | E1452-S1461 CarbonylContact C-O 3.51Å; E1452-S1461 WeakPolarHBondContact CA-O 3.43Å; E1452-S1461 WeakPolarHBondContact CB-O 3.16Å; M1453-S1461 PolarHBondContact N-O 2.93Å; M1453-S1461 PolarHBondContact O-N 3.28Å; M1453-S1461 PolarHBondContact O-OG 2.91Å; S1461-V1463 PolarHBondContact O-N 3.03Å |
| 1462 | P | 88.8 | Confident | 87.2 | Confident | 103 Ų | 103 | 73.3 Ų | 73.3 | 67% | 0.669 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 129.2 | -175.3 | 25.8 | -34.3 | 0 | 0 | 0 | 112 | ||
| 1463 | V | 88.7 | Confident | 87.1 | Confident | 46 Ų | 46 | 72.3 Ų | 72.3 | 28% | 0.279 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | -13.6 | 174.9 | -67.6 | 0 | 0 | 0 | 0 | 113.3 | V1451 M1453 S1461 V1473 F1484 | V1451-V1463 HydrophobicContact CB-CG2 4.2Å; V1451-V1463 HydrophobicContact CG1-CG2 3.93Å; V1451-V1463 WeakPolarHBondContact O-CG2 3.34Å; V1451-V1463 PolarHBondContact O-N 3Å; M1453-V1463 HydrophobicContact CB-CB 4.44Å; M1453-V1463 HydrophobicContact CB-CG1 3.49Å; M1453-V1463 VanDerWaalsContact CB-CG1 3.49Å; M1453-V1463 HydrophobicContact CB-CG2 4.09Å; M1453-V1463 HydrophobicContact CE-CG1 4.18Å; M1453-V1463 HydrophobicContact SD-CG1 4.34Å; S1461-V1463 PolarHBondContact O-N 3.03Å; V1463-V1473 HydrophobicContact CB-CG2 4.43Å; V1463-V1473 HydrophobicContact CG2-CG2 4.3Å; V1463-F1484 HydrophobicContact CG2-CD1 4.08Å; V1463-F1484 HydrophobicContact CG2-CE1 4.23Å |
| 1464 | Y | 92.9 | Very high | 86.9 | Confident | 54 Ų | 54 | 73.8 Ų | 73.8 | 21% | 0.212 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.5 | 140.8 | 166.9 | -178.2 | -99.7 | 0 | 0 | 0 | 111.6 | W1434 F1450 V1451 G1466 A1468 C1471 | W1434-Y1464 AromaticContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CD1 3.55Å; W1434-Y1464 HydrophobicContact CH2-CE1 4.02Å; W1434-Y1464 HydrophobicContact CH2-CG 4.02Å; W1434-Y1464 AromaticContact CZ2-CD1 3.52Å; W1434-Y1464 HydrophobicContact CZ2-CD1 3.52Å; W1434-Y1464 AromaticContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CE1 3.66Å; W1434-Y1464 HydrophobicContact CZ2-CG 4.43Å; F1450-Y1464 CarbonylContact C-O 3.43Å; F1450-Y1464 WeakPolarHBondContact CA-O 3.31Å; V1451-Y1464 HydrophobicContact CG2-CD1 4.24Å; V1451-Y1464 PolarHBondContact N-O 2.94Å; V1451-Y1464 PolarHBondContact O-N 2.86Å; V1451-Y1464 VanDerWaalsContact O-N 3.12Å; Y1464-G1466 WeakPolarHBondContact CE1-O 3.43Å; Y1464-G1466 VanDerWaalsContact OH-C 3.3Å; Y1464-G1466 WeakPolarHBondContact OH-CA 3.11Å; Y1464-A1468 VanDerWaalsContact OH-CB 3.31Å; Y1464-A1468 WeakPolarHBondContact OH-CB 3.35Å; Y1464-A1468 PolarHBondContact OH-N 2.8Å; Y1464-A1468 VanDerWaalsContact OH-N 3.07Å; Y1464-C1471 HydrophobicContact CD2-CB 3.66Å; Y1464-C1471 HydrophobicContact CE2-CB 4.43Å; Y1464-C1471 HydrophobicContact CG-CB 3.76Å |
| 1465 | E | 90.8 | Very high | 86.8 | Confident | 136 Ų | 136 | 81.3 Ų | 81.3 | 64% | 0.636 | 43% | 0.428 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 132.8 | 165 | -178.4 | 175.3 | 166.4 | 0 | 0 | 108.2 | Y1449 F1450 | Y1449-E1465 WeakPolarHBondContact O-CA 3.31Å; F1450-E1465 HydrophobicContact CD1-CB 4.4Å; F1450-E1465 HydrophobicContact CD1-CG 3.77Å; F1450-E1465 VanDerWaalsContact CE1-CD 3.44Å; F1450-E1465 HydrophobicContact CE1-CG 3.7Å; F1450-E1465 WeakPolarHBondContact CE1-OE1 3.28Å; F1450-E1465 HydrophobicContact CZ-CG 4.48Å |
| 1466 | G | 87.4 | Confident | 87.1 | Confident | 11 Ų | 11 | 78.7 Ų | 78.7 | 11% | 0.113 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 147 | -174.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y1449 Y1464 | Y1449-G1466 PolarHBondContact N-O 2.92Å; Y1449-G1466 PolarHBondContact O-N 2.85Å; Y1464-G1466 WeakPolarHBondContact CE1-O 3.43Å; Y1464-G1466 VanDerWaalsContact OH-C 3.3Å; Y1464-G1466 WeakPolarHBondContact OH-CA 3.11Å |
| 1467 | P | 87.5 | Confident | 87.6 | Confident | 97 Ų | 97 | 70.5 Ų | 70.5 | 63% | 0.63 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -87.5 | -8 | -171.8 | 33.9 | -36.6 | 0 | 0 | 0 | 115 | ||
| 1468 | A | 86.1 | Confident | 88 | Confident | 45 Ų | 45 | 67 Ų | 67 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | trans | -76.1 | 137.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W1434 Y1464 S1470 | W1434-A1468 WeakPolarHBondContact CZ2-O 3.37Å; Y1464-A1468 VanDerWaalsContact OH-CB 3.31Å; Y1464-A1468 WeakPolarHBondContact OH-CB 3.35Å; Y1464-A1468 PolarHBondContact OH-N 2.8Å; Y1464-A1468 VanDerWaalsContact OH-N 3.07Å; A1468-S1470 PolarHBondContact O-N 2.81Å | ||
| 1469 | K | 87.9 | Confident | 88.3 | Confident | 75 Ų | 75 | 70 Ų | 70 | 33% | 0.326 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -80.3 | 25.2 | 178.3 | -52.1 | -158.2 | -175.4 | -166.3 | 0 | 114.2 | W1434 D1436 D1444 Y1449 | W1434-K1469 PolarHBondContact N-O 3.11Å; D1436-K1469 IonicContact OD2-NZ 2.6Å; D1436-K1469 PolarHBondContact OD2-NZ 2.83Å; D1444-K1469 IonicContact OD2-NZ 2.72Å; D1444-K1469 PolarHBondContact OD2-NZ 3.38Å; Y1449-K1469 HydrophobicContact CE2-CD 4.21Å; Y1449-K1469 HydrophobicContact CE2-CG 3.79Å; Y1449-K1469 WeakPolarHBondContact OH-CE 3.01Å; Y1449-K1469 PolarHBondContact OH-NZ 2.81Å; Y1449-K1469 VanDerWaalsContact OH-NZ 3.16Å |
| 1470 | S | 90.2 | Very high | 88.6 | Confident | 47 Ų | 47 | 70.7 Ų | 70.7 | 33% | 0.329 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.7 | 148.5 | 176.1 | 69.8 | 0 | 0 | 0 | 0 | 112.4 | L1432 W1434 A1468 | L1432-S1470 CarbonylContact O-C 3.53Å; L1432-S1470 WeakPolarHBondContact O-CA 3.48Å; L1432-S1470 WeakPolarHBondContact O-CB 3.44Å; W1434-S1470 VanDerWaalsContact CH2-C 3.45Å; A1468-S1470 PolarHBondContact O-N 2.81Å |
| 1471 | C | 90.4 | Very high | 88.8 | Confident | 13 Ų | 13 | 70.1 Ų | 70.1 | 9% | 0.088 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.4 | 165.6 | 170 | 71.1 | 0 | 0 | 0 | 0 | 112 | K1431 L1432 W1434 Y1464 | K1431-C1471 CarbonylContact C-O 3.59Å; K1431-C1471 WeakPolarHBondContact CA-O 3.38Å; K1431-C1471 WeakPolarHBondContact CG-O 3.39Å; L1432-C1471 PolarHBondContact N-O 2.86Å; L1432-C1471 PolarHBondContact O-N 2.67Å; L1432-C1471 VanDerWaalsContact O-O 3.08Å; W1434-C1471 HydrophobicContact CH2-CB 3.84Å; W1434-C1471 HydrophobicContact CZ3-CB 4.16Å; Y1464-C1471 HydrophobicContact CD2-CB 3.66Å; Y1464-C1471 HydrophobicContact CE2-CB 4.43Å; Y1464-C1471 HydrophobicContact CG-CB 3.76Å |
| 1472 | K | 92.2 | Very high | 89.1 | Confident | 119 Ų | 119 | 70.1 Ų | 70.1 | 52% | 0.517 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 120.2 | 166.8 | -175.2 | -174.1 | -177.7 | -176.4 | 0 | 107.8 | F1429 P1474 | F1429-K1472 VanDerWaalsContact CB-CE 3.46Å; F1429-K1472 HydrophobicContact CB-CG 4.3Å; F1429-K1472 VanDerWaalsContact CD1-CE 3.45Å; F1429-K1472 HydrophobicContact CD2-CD 4.34Å; F1429-K1472 HydrophobicContact CD2-CG 4.21Å; F1429-K1472 HydrophobicContact CG-CD 4.4Å; F1429-K1472 HydrophobicContact CG-CG 4.45Å; K1472-P1474 WeakPolarHBondContact O-CD 3.48Å |
| 1473 | V | 91 | Very high | 89.3 | Confident | 10 Ų | 10 | 66 Ų | 66 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 107.2 | 174.3 | -172.6 | 0 | 0 | 0 | 0 | 107.8 | F1429 L1430 L1432 M1453 V1463 L1476 F1484 | F1429-V1473 VanDerWaalsContact CA-O 3.23Å; F1429-V1473 WeakPolarHBondContact CA-O 3.37Å; F1429-V1473 WeakPolarHBondContact CB-O 3.14Å; L1430-V1473 PolarHBondContact N-O 2.94Å; L1430-V1473 PolarHBondContact O-N 2.88Å; L1432-V1473 HydrophobicContact CD1-CG2 3.98Å; L1432-V1473 HydrophobicContact CG-CG2 4.31Å; M1453-V1473 HydrophobicContact SD-CG1 4.4Å; V1463-V1473 HydrophobicContact CB-CG2 4.43Å; V1463-V1473 HydrophobicContact CG2-CG2 4.3Å; V1473-L1476 HydrophobicContact CB-CD1 4.22Å; V1473-L1476 HydrophobicContact CG1-CD1 4.03Å; V1473-L1476 HydrophobicContact CG1-CD2 3.94Å; V1473-L1476 HydrophobicContact CG1-CG 4.17Å; V1473-F1484 HydrophobicContact CB-CE1 4.49Å; V1473-F1484 HydrophobicContact CG1-CE1 4.25Å; V1473-F1484 HydrophobicContact CG1-CZ 4.45Å; V1473-F1484 HydrophobicContact CG2-CE1 3.94Å; V1473-F1484 HydrophobicContact CG2-CZ 4.39Å |
| 1474 | P | 90.1 | Very high | 89.6 | Confident | 67 Ų | 67 | 63.8 Ų | 63.8 | 44% | 0.435 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 174.4 | -177.8 | 40.1 | -35 | 0 | 0 | 0 | 111.7 | N1428 K1472 L1476 | N1428-P1474 CarbonylContact O-C 3.21Å; K1472-P1474 WeakPolarHBondContact O-CD 3.48Å; P1474-L1476 VanDerWaalsContact C-N 3.25Å; P1474-L1476 PolarHBondContact O-N 3.2Å |
| 1475 | R | 87.6 | Confident | 89.6 | Confident | 232 Ų | 232 | 64.1 Ų | 64.1 | 88% | 0.875 | 34% | 0.336 | S | S | * | . | S | Bend | trans | 63.5 | 30.5 | 175.5 | -53.3 | 176.7 | -68 | -150.6 | -0.4 | 113.3 | N1428 | N1428-R1475 PolarHBondContact O-N 3.42Š|
| 1476 | L | 88.7 | Confident | 89.7 | Confident | 13 Ų | 13 | 57.6 Ų | 57.6 | 7% | 0.068 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -83.3 | 154.8 | 169.8 | -58 | 178.6 | 0 | 0 | 0 | 109.2 | N1428 L1430 M1453 V1473 P1474 Y1482 T1506 | N1428-L1476 VanDerWaalsContact CA-O 3.27Å; N1428-L1476 WeakPolarHBondContact CA-O 3.2Å; N1428-L1476 PolarHBondContact O-N 3.05Å; N1428-L1476 VanDerWaalsContact O-N 3.14Å; L1430-L1476 HydrophobicContact CB-CD1 3.87Å; L1430-L1476 HydrophobicContact CD1-CD1 3.68Å; L1430-L1476 HydrophobicContact CG-CD1 3.56Å; M1453-L1476 HydrophobicContact SD-CD2 4.15Å; V1473-L1476 HydrophobicContact CB-CD1 4.22Å; V1473-L1476 HydrophobicContact CG1-CD1 4.03Å; V1473-L1476 HydrophobicContact CG1-CD2 3.94Å; V1473-L1476 HydrophobicContact CG1-CG 4.17Å; P1474-L1476 VanDerWaalsContact C-N 3.25Å; P1474-L1476 PolarHBondContact O-N 3.2Å; L1476-Y1482 HydrophobicContact CB-CD2 4.44Å; L1476-Y1482 HydrophobicContact CB-CE2 3.69Å; L1476-Y1482 HydrophobicContact CD1-CD2 4.2Å; L1476-Y1482 HydrophobicContact CD1-CE2 4.26Å; L1476-Y1482 HydrophobicContact CD2-CD1 3.98Å; L1476-Y1482 HydrophobicContact CD2-CD2 4.17Å; L1476-Y1482 HydrophobicContact CD2-CE1 3.64Å; L1476-Y1482 HydrophobicContact CD2-CE2 3.85Å; L1476-Y1482 HydrophobicContact CD2-CG 4.22Å; L1476-Y1482 HydrophobicContact CG-CE2 4.13Å; L1476-T1506 HydrophobicContact CB-CG2 3.71Å; L1476-T1506 HydrophobicContact CD1-CG2 4.15Å |
| 1477 | T | 86.7 | Confident | 90 | Very high | 78 Ų | 78 | 59.6 Ų | 59.6 | 48% | 0.479 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -81.7 | 150.9 | 176.9 | 44.2 | 0 | 0 | 0 | 0 | 111.4 | T1480 Y1482 T1506 | T1477-T1480 WeakPolarHBondContact CB-OG1 3.41Å; T1477-T1480 WeakPolarHBondContact O-CB 3.32Å; T1477-T1480 PolarHBondContact O-OG1 3.47Å; T1477-T1480 VanDerWaalsContact OG1-CB 3.29Å; T1477-T1480 WeakPolarHBondContact OG1-CB 3.45Å; T1477-T1480 WeakPolarHBondContact OG1-CG2 3.38Å; T1477-T1480 PolarHBondContact OG1-OG1 3.07Å; T1477-Y1482 PolarHBondContact N-OH 3.5Å; T1477-Y1482 PolarHBondContact OG1-OH 2.8Å; T1477-Y1482 VanDerWaalsContact OG1-OH 3.11Å; T1477-T1506 WeakPolarHBondContact O-CB 3.23Å; T1477-T1506 WeakPolarHBondContact O-CG2 3.5Å; T1477-T1506 PolarHBondContact O-OG1 3.11Å |
| 1478 | E | 87.1 | Confident | 90 | Very high | 92 Ų | 92 | 55 Ų | 55 | 43% | 0.43 | 28% | 0.28 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64 | 147.7 | 179.8 | -161.6 | 170.9 | -150.5 | 0 | 0 | 111 | H1427 T1480 G1507 R1508 T1509 | H1427-E1478 HydrophobicContact CB-CG 3.9Å; H1427-E1478 WeakPolarHBondContact CB-OE1 3.4Å; H1427-E1478 WeakPolarHBondContact O-CA 3.35Å; H1427-E1478 WeakPolarHBondContact O-CB 3.42Å; H1427-E1478 PolarHBondContact O-N 3.3Å; E1478-T1480 PolarHBondContact O-N 3.32Å; E1478-T1480 VanDerWaalsContact O-N 3.09Å; E1478-T1480 PolarHBondContact O-OG1 3.25Å; E1478-G1507 VanDerWaalsContact CG-O 3.26Å; E1478-G1507 WeakPolarHBondContact CG-O 3.37Å; E1478-R1508 VanDerWaalsContact OE1-CA 3.24Å; E1478-R1508 WeakPolarHBondContact OE1-CA 3.49Å; E1478-T1509 PolarHBondContact OE1-N 3.38Å; E1478-T1509 PolarHBondContact OE1-OG1 3.39Å |
| 1479 | N | 85.7 | Confident | 89.9 | Confident | 103 Ų | 103 | 53.8 Ų | 53.8 | 55% | 0.551 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.4 | 38.8 | 177.8 | -157.3 | 109.1 | 0 | 0 | 0 | 114.1 | T1506 R1508 | N1479-T1506 PolarHBondContact N-OG1 3.02Å; N1479-R1508 PolarHBondContact OD1-NE 3.46Å; N1479-R1508 PolarHBondContact OD1-NH2 3.07Å; N1479-R1508 VanDerWaalsContact OD1-NH2 3.11Å |
| 1480 | T | 88.4 | Confident | 89.2 | Confident | 44 Ų | 44 | 51.6 Ų | 51.6 | 27% | 0.27 | 26% | 0.262 | S | S | . | . | trans | -123 | 141 | -174.4 | -55.2 | 0 | 0 | 0 | 0 | 111.3 | T1477 E1478 Y1482 C1505 T1506 | T1477-T1480 WeakPolarHBondContact CB-OG1 3.41Å; T1477-T1480 WeakPolarHBondContact O-CB 3.32Å; T1477-T1480 PolarHBondContact O-OG1 3.47Å; T1477-T1480 VanDerWaalsContact OG1-CB 3.29Å; T1477-T1480 WeakPolarHBondContact OG1-CB 3.45Å; T1477-T1480 WeakPolarHBondContact OG1-CG2 3.38Å; T1477-T1480 PolarHBondContact OG1-OG1 3.07Å; E1478-T1480 PolarHBondContact O-N 3.32Å; E1478-T1480 VanDerWaalsContact O-N 3.09Å; E1478-T1480 PolarHBondContact O-OG1 3.25Å; T1480-Y1482 HydrophobicContact CG2-CD2 4.32Å; T1480-Y1482 HydrophobicContact CG2-CE2 3.65Å; T1480-C1505 WeakPolarHBondContact O-CA 3.47Å; T1480-T1506 PolarHBondContact N-OG1 2.6Å; T1480-T1506 PolarHBondContact O-N 3.19Å; T1480-T1506 PolarHBondContact O-OG1 2.99Å | ||
| 1481 | A | 90.5 | Very high | 88.2 | Confident | 45 Ų | 45 | 58.5 Ų | 58.5 | 37% | 0.372 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 142.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1503 F1504 | A1481-Q1503 HydrophobicContact CB-CG 4.12Å; A1481-F1504 CarbonylContact C-O 3.55Å; A1481-F1504 WeakPolarHBondContact CA-O 3.21Å |
| 1482 | Y | 91.7 | Very high | 87.1 | Confident | 42 Ų | 42 | 62.5 Ų | 62.5 | 17% | 0.165 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.7 | 179.3 | -65.7 | -91.3 | 0 | 0 | 0 | 110.8 | L1430 M1453 L1476 T1477 T1480 F1484 Q1503 F1504 T1506 | L1430-Y1482 HydrophobicContact CD1-CD2 4.33Å; M1453-Y1482 HydrophobicContact SD-CD1 3.77Å; M1453-Y1482 HydrophobicContact SD-CE1 4.41Å; M1453-Y1482 HydrophobicContact SD-CG 4.44Å; L1476-Y1482 HydrophobicContact CB-CD2 4.44Å; L1476-Y1482 HydrophobicContact CB-CE2 3.69Å; L1476-Y1482 HydrophobicContact CD1-CD2 4.2Å; L1476-Y1482 HydrophobicContact CD1-CE2 4.26Å; L1476-Y1482 HydrophobicContact CD2-CD1 3.98Å; L1476-Y1482 HydrophobicContact CD2-CD2 4.17Å; L1476-Y1482 HydrophobicContact CD2-CE1 3.64Å; L1476-Y1482 HydrophobicContact CD2-CE2 3.85Å; L1476-Y1482 HydrophobicContact CD2-CG 4.22Å; L1476-Y1482 HydrophobicContact CG-CE2 4.13Å; T1477-Y1482 PolarHBondContact N-OH 3.5Å; T1477-Y1482 PolarHBondContact OG1-OH 2.8Å; T1477-Y1482 VanDerWaalsContact OG1-OH 3.11Å; T1480-Y1482 HydrophobicContact CG2-CD2 4.32Å; T1480-Y1482 HydrophobicContact CG2-CE2 3.65Å; Y1482-F1484 WeakPolarHBondContact O-CD2 3.36Å; Y1482-F1484 WeakPolarHBondContact O-CE2 3.32Å; Y1482-Q1503 WeakPolarHBondContact O-CA 3.34Å; Y1482-F1504 PolarHBondContact N-O 3.45Å; Y1482-F1504 PolarHBondContact O-N 3.42Å; Y1482-T1506 HydrophobicContact CE2-CG2 4.37Å |
| 1483 | T | 93.7 | Very high | 85.8 | Confident | 17 Ų | 17 | 57.4 Ų | 57.4 | 10% | 0.104 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 140.9 | 179.3 | -31.5 | 0 | 0 | 0 | 0 | 111.3 | M1453 E1454 P1501 V1502 Q1503 | M1453-T1483 CarbonylContact C-O 3.38Å; M1453-T1483 WeakPolarHBondContact CA-O 3.44Å; E1454-T1483 PolarHBondContact N-O 3.43Å; E1454-T1483 WeakPolarHBondContact OE2-CB 2.85Å; E1454-T1483 PolarHBondContact OE2-OG1 3.09Å; T1483-P1501 HydrophobicContact CG2-CB 3.63Å; T1483-V1502 CarbonylContact C-O 3.57Å; T1483-V1502 WeakPolarHBondContact CA-O 3.28Å; T1483-Q1503 HydrophobicContact CG2-CB 4.43Å |
| 1484 | F | 94.8 | Very high | 85 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.3 | 151.4 | -178.3 | -57.7 | -89.9 | 0 | 0 | 0 | 112.6 | L1420 L1430 L1432 E1452 M1453 V1463 V1473 Y1482 P1501 V1502 F1504 | L1420-F1484 HydrophobicContact CD2-CB 3.76Å; L1430-F1484 HydrophobicContact CD1-CE2 3.66Å; L1430-F1484 HydrophobicContact CD1-CZ 3.98Å; L1432-F1484 HydrophobicContact CD1-CB 4.12Å; L1432-F1484 HydrophobicContact CD1-CD1 3.56Å; L1432-F1484 HydrophobicContact CD1-CD2 4.07Å; L1432-F1484 HydrophobicContact CD1-CE1 3.89Å; L1432-F1484 HydrophobicContact CD1-CE2 4.36Å; L1432-F1484 HydrophobicContact CD1-CG 3.65Å; L1432-F1484 HydrophobicContact CD1-CZ 4.28Å; L1432-F1484 HydrophobicContact CD2-CD2 4.32Å; L1432-F1484 HydrophobicContact CD2-CE2 4.38Å; E1452-F1484 CarbonylContact O-C 3.59Å; E1452-F1484 WeakPolarHBondContact O-CA 3.44Å; M1453-F1484 HydrophobicContact CB-CD1 3.64Å; M1453-F1484 HydrophobicContact CB-CE1 3.58Å; M1453-F1484 HydrophobicContact CG-CD1 3.82Å; M1453-F1484 HydrophobicContact CG-CE1 3.41Å; M1453-F1484 VanDerWaalsContact CG-CE1 3.41Å; M1453-F1484 HydrophobicContact CG-CZ 3.94Å; M1453-F1484 HydrophobicContact SD-CE1 3.62Å; M1453-F1484 HydrophobicContact SD-CZ 3.87Å; V1463-F1484 HydrophobicContact CG2-CD1 4.08Å; V1463-F1484 HydrophobicContact CG2-CE1 4.23Å; V1473-F1484 HydrophobicContact CB-CE1 4.49Å; V1473-F1484 HydrophobicContact CG1-CE1 4.25Å; V1473-F1484 HydrophobicContact CG1-CZ 4.45Å; V1473-F1484 HydrophobicContact CG2-CE1 3.94Å; V1473-F1484 HydrophobicContact CG2-CZ 4.39Å; Y1482-F1484 WeakPolarHBondContact O-CD2 3.36Å; Y1482-F1484 WeakPolarHBondContact O-CE2 3.32Å; F1484-P1501 CarbonylContact O-C 3.59Å; F1484-P1501 WeakPolarHBondContact O-CA 3.49Å; F1484-V1502 PolarHBondContact N-O 3.24Å; F1484-V1502 PolarHBondContact O-N 3.25Å; F1484-F1504 AromaticContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CE2-CD2 4.28Å |
| 1485 | R | 93.7 | Very high | 84.5 | Confident | 60 Ų | 60 | 60.8 Ų | 60.8 | 23% | 0.226 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 155.4 | 172 | 66 | 178.3 | -171.9 | -176.1 | 3.6 | 111.6 | V1451 E1452 H1460 W1498 | V1451-R1485 CarbonylContact C-O 3.57Å; V1451-R1485 VanDerWaalsContact CA-O 3.31Å; V1451-R1485 WeakPolarHBondContact CA-O 3.23Å; V1451-R1485 WeakPolarHBondContact CG1-O 3.33Å; E1452-R1485 HydrophobicContact CB-CG 4.21Å; E1452-R1485 PolarHBondContact N-O 2.86Å; E1452-R1485 PolarHBondContact O-N 3.34Å; E1452-R1485 IonicContact OE2-CZ 3.24Å; E1452-R1485 IonicContact OE2-NE 3.02Å; E1452-R1485 PolarHBondContact OE2-NE 3.42Å; E1452-R1485 IonicContact OE2-NH2 2.81Å; E1452-R1485 PolarHBondContact OE2-NH2 2.88Å; H1460-R1485 PolarHBondContact CD2-NH1 3.42Å; H1460-R1485 VanDerWaalsContact CD2-NH1 3.3Å; R1485-W1498 HydrophobicContact CB-CE3 4.43Å; R1485-W1498 HydrophobicContact CG-CD2 4.41Å; R1485-W1498 HydrophobicContact CG-CE3 3.81Å; R1485-W1498 HydrophobicContact CG-CZ3 4.17Å |
| 1486 | V | 93.3 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.5 | 147.2 | -175.4 | 59.3 | 0 | 0 | 0 | 0 | 113 | P1418 L1420 W1434 F1450 V1451 W1498 S1499 | P1418-V1486 HydrophobicContact CG-CB 4.45Å; P1418-V1486 HydrophobicContact CG-CG1 3.91Å; P1418-V1486 HydrophobicContact CG-CG2 3.83Å; P1418-V1486 WeakPolarHBondContact O-CG1 3.24Å; L1420-V1486 HydrophobicContact CB-CG1 3.86Å; L1420-V1486 HydrophobicContact CD1-CB 4.38Å; L1420-V1486 HydrophobicContact CD1-CG1 4.07Å; L1420-V1486 HydrophobicContact CD2-CG1 4.25Å; L1420-V1486 HydrophobicContact CG-CG1 4.28Å; W1434-V1486 HydrophobicContact CD2-CG2 4.27Å; W1434-V1486 HydrophobicContact CG-CG2 4.18Å; F1450-V1486 CarbonylContact O-C 3.53Å; F1450-V1486 WeakPolarHBondContact O-CA 3.4Å; F1450-V1486 WeakPolarHBondContact O-CG2 3.25Å; V1451-V1486 HydrophobicContact CG2-CB 4.12Å; V1451-V1486 HydrophobicContact CG2-CG2 3.8Å; V1486-W1498 CarbonylContact O-C 3.58Å; V1486-S1499 PolarHBondContact N-OG 3Å; V1486-S1499 WeakPolarHBondContact O-CB 3.47Å; V1486-S1499 PolarHBondContact O-N 3.29Å |
| 1487 | R | 92.5 | Very high | 84.1 | Confident | 52 Ų | 52 | 52.7 Ų | 52.7 | 20% | 0.196 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.1 | 166.3 | 169 | 66 | 175.2 | 174.4 | 177.2 | -0.6 | 112 | Y1449 F1450 M1495 A1497 W1498 | Y1449-R1487 VanDerWaalsContact CA-O 3.31Å; Y1449-R1487 WeakPolarHBondContact CA-O 3.43Å; F1450-R1487 HydrophobicContact CB-CG 3.9Å; F1450-R1487 HydrophobicContact CD2-CG 4.01Å; F1450-R1487 HydrophobicContact CG-CG 4.31Å; F1450-R1487 PolarHBondContact N-O 2.65Å; F1450-R1487 PolarHBondContact O-N 3.15Å; R1487-M1495 PolarHBondContact NH1-SD 3.43Å; R1487-A1497 VanDerWaalsContact CB-O 3.24Å; R1487-A1497 WeakPolarHBondContact CB-O 3.26Å; R1487-W1498 HydrophobicContact CB-CD2 3.98Å; R1487-W1498 HydrophobicContact CB-CE3 3.78Å; R1487-W1498 HydrophobicContact CB-CG 4.4Å; R1487-W1498 HydrophobicContact CB-CZ3 4.23Å; R1487-W1498 HydrophobicContact CG-CD2 3.94Å; R1487-W1498 HydrophobicContact CG-CE3 3.73Å; R1487-W1498 HydrophobicContact CG-CH2 3.89Å; R1487-W1498 HydrophobicContact CG-CZ2 4.11Å; R1487-W1498 HydrophobicContact CG-CZ3 3.71Å; R1487-W1498 VanDerWaalsContact NE-CZ2 3.3Å |
| 1488 | A | 88.5 | Confident | 84.3 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 159.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P1415 T1448 Y1449 G1496 | P1415-A1488 HydrophobicContact CB-CB 4.12Å; T1448-A1488 CarbonylContact O-C 3.56Å; T1448-A1488 WeakPolarHBondContact O-CA 3.3Å; Y1449-A1488 HydrophobicContact CD1-CB 3.88Å; Y1449-A1488 HydrophobicContact CE1-CB 3.83Å; A1488-G1496 WeakPolarHBondContact O-CA 2.9Å; A1488-G1496 PolarHBondContact O-N 3.01Å |
| 1489 | S | 84.1 | Confident | 84.4 | Confident | 19 Ų | 19 | 48.8 Ų | 48.8 | 13% | 0.133 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 148.4 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 110.8 | R1447 T1448 G1494 | R1447-S1489 WeakPolarHBondContact CA-O 3.36Å; T1448-S1489 PolarHBondContact N-O 2.96Å; T1448-S1489 VanDerWaalsContact N-O 3.16Å; T1448-S1489 PolarHBondContact O-N 2.85Å; S1489-G1494 WeakPolarHBondContact CA-O 3.36Å; S1489-G1494 PolarHBondContact OG-O 3.37Å |
| 1490 | S | 73 | Confident | 84.4 | Confident | 29 Ų | 29 | 50.4 Ų | 50.4 | 20% | 0.203 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 142.8 | 179.9 | 177.5 | 0 | 0 | 0 | 0 | 111.6 | N1492 G1493 G1494 | S1490-N1492 VanDerWaalsContact C-N 3.27Å; S1490-N1492 PolarHBondContact O-N 3.45Å; S1490-G1493 PolarHBondContact O-N 2.98Å; S1490-G1494 PolarHBondContact N-O 2.76Å; S1490-G1494 PolarHBondContact O-N 2.85Å |
| 1491 | K | 69.2 | Low | 84.5 | Confident | 193 Ų | 193 | 51.9 Ų | 51.9 | 84% | 0.839 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | -38.7 | -176.4 | -172.1 | -173.9 | 175.9 | -169.6 | 0 | 113.7 | ||
| 1492 | N | 65.8 | Low | 84.4 | Confident | 96 Ų | 96 | 52 Ų | 52 | 51% | 0.513 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107 | -14 | -175.6 | -67.4 | 16 | 0 | 0 | 0 | 113.2 | S1412 S1490 | S1412-N1492 VanDerWaalsContact OG-CB 3.25Å; S1412-N1492 WeakPolarHBondContact OG-CB 3.44Å; S1490-N1492 VanDerWaalsContact C-N 3.27Å; S1490-N1492 PolarHBondContact O-N 3.45Å |
| 1493 | G | 65.3 | Low | 84.4 | Confident | 13 Ų | 13 | 56 Ų | 56 | 13% | 0.134 | 31% | 0.305 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -113.6 | -1.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | P1414 S1490 | P1414-G1493 WeakPolarHBondContact CA-O 3.41Å; S1490-G1493 PolarHBondContact O-N 2.98Å |
| 1494 | G | 74 | Confident | 84.3 | Confident | 36 Ų | 36 | 56.5 Ų | 56.5 | 37% | 0.371 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 74.2 | -162.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | P1415 S1489 S1490 | P1415-G1494 WeakPolarHBondContact CD-O 3.33Å; S1489-G1494 WeakPolarHBondContact CA-O 3.36Å; S1489-G1494 PolarHBondContact OG-O 3.37Å; S1490-G1494 PolarHBondContact N-O 2.76Å; S1490-G1494 PolarHBondContact O-N 2.85Å |
| 1495 | M | 81.4 | Confident | 84.1 | Confident | 112 Ų | 112 | 60 Ų | 60 | 55% | 0.552 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.6 | 179.6 | -68.2 | -174.8 | 175.7 | 0 | 0 | 111.4 | R1487 | R1487-M1495 PolarHBondContact NH1-SD 3.43Å |
| 1496 | G | 81.3 | Confident | 83.8 | Confident | 10 Ų | 10 | 57.6 Ų | 57.6 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | P | Polyproline II helix | trans | -79.2 | 172.1 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1415 A1488 | P1415-G1496 WeakPolarHBondContact O-CA 3.46Å; A1488-G1496 WeakPolarHBondContact O-CA 2.9Å; A1488-G1496 PolarHBondContact O-N 3.01Å |
| 1497 | A | 85.8 | Confident | 83.2 | Confident | 64 Ų | 64 | 58.7 Ų | 58.7 | 53% | 0.529 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -66.2 | 157.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1417 R1487 | A1417-A1497 HydrophobicContact CB-CB 4.43Å; A1417-A1497 WeakPolarHBondContact CB-O 3.34Å; R1487-A1497 VanDerWaalsContact CB-O 3.24Å; R1487-A1497 WeakPolarHBondContact CB-O 3.26Å |
| 1498 | W | 90.3 | Very high | 82.5 | Confident | 70 Ų | 70 | 65.1 Ų | 65.1 | 27% | 0.265 | 36% | 0.357 | S | S | . | . | P | Polyproline II helix | trans | -73.3 | 146.6 | 166.5 | -68 | 105.1 | 0 | 0 | 0 | 111 | F1450 E1452 R1485 V1486 R1487 | F1450-W1498 HydrophobicContact CB-CH2 4.06Å; F1450-W1498 HydrophobicContact CB-CZ3 4.33Å; F1450-W1498 WeakPolarHBondContact O-CZ3 3.45Å; E1452-W1498 HydrophobicContact CG-CH2 3.56Å; E1452-W1498 HydrophobicContact CG-CZ2 4.36Å; E1452-W1498 HydrophobicContact CG-CZ3 4.01Å; E1452-W1498 WeakPolarHBondContact OE1-CH2 3.48Å; E1452-W1498 WeakPolarHBondContact OE1-CZ2 3.34Å; R1485-W1498 HydrophobicContact CB-CE3 4.43Å; R1485-W1498 HydrophobicContact CG-CD2 4.41Å; R1485-W1498 HydrophobicContact CG-CE3 3.81Å; R1485-W1498 HydrophobicContact CG-CZ3 4.17Å; V1486-W1498 CarbonylContact O-C 3.58Å; R1487-W1498 HydrophobicContact CB-CD2 3.98Å; R1487-W1498 HydrophobicContact CB-CE3 3.78Å; R1487-W1498 HydrophobicContact CB-CG 4.4Å; R1487-W1498 HydrophobicContact CB-CZ3 4.23Å; R1487-W1498 HydrophobicContact CG-CD2 3.94Å; R1487-W1498 HydrophobicContact CG-CE3 3.73Å; R1487-W1498 HydrophobicContact CG-CH2 3.89Å; R1487-W1498 HydrophobicContact CG-CZ2 4.11Å; R1487-W1498 HydrophobicContact CG-CZ3 3.71Å; R1487-W1498 VanDerWaalsContact NE-CZ2 3.3Å |
| 1499 | S | 89 | Confident | 81.9 | Confident | 18 Ų | 18 | 69.2 Ų | 69.2 | 13% | 0.126 | 38% | 0.382 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 160.9 | 162.9 | 77.3 | 0 | 0 | 0 | 0 | 110.8 | V1486 | V1486-S1499 PolarHBondContact N-OG 3Å; V1486-S1499 WeakPolarHBondContact O-CB 3.47Å; V1486-S1499 PolarHBondContact O-N 3.29Å |
| 1500 | D | 86.9 | Confident | 80.8 | Confident | 137 Ų | 137 | 73.1 Ų | 73.1 | 73% | 0.733 | 41% | 0.406 | S | S | * | . | P | Polyproline II helix | trans | -56.6 | 149.5 | 162.1 | -60.7 | -57.1 | 0 | 0 | 0 | 110.9 | ||
| 1501 | P | 89.2 | Confident | 80.1 | Confident | 75 Ų | 75 | 77.7 Ų | 77.7 | 49% | 0.487 | 44% | 0.435 | S | S | . | . | P | Polyproline II helix | trans | -71.4 | 128 | 174.7 | -17.4 | 32.1 | 0 | 0 | 0 | 111.9 | T1483 F1484 | T1483-P1501 HydrophobicContact CG2-CB 3.63Å; F1484-P1501 CarbonylContact O-C 3.59Å; F1484-P1501 WeakPolarHBondContact O-CA 3.49Å |
| 1502 | V | 88.9 | Confident | 79.7 | Confident | 49 Ų | 49 | 74.7 Ų | 74.7 | 30% | 0.297 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 132.7 | -179.3 | -167.7 | 0 | 0 | 0 | 0 | 110.4 | L1420 T1483 F1484 F1504 | L1420-V1502 HydrophobicContact CB-CG2 4.29Å; T1483-V1502 CarbonylContact C-O 3.57Å; T1483-V1502 WeakPolarHBondContact CA-O 3.28Å; F1484-V1502 PolarHBondContact N-O 3.24Å; F1484-V1502 PolarHBondContact O-N 3.25Å; V1502-F1504 HydrophobicContact CB-CE2 4.22Å; V1502-F1504 HydrophobicContact CB-CZ 3.98Å; V1502-F1504 HydrophobicContact CG1-CD1 4.38Å; V1502-F1504 HydrophobicContact CG1-CE1 3.57Å; V1502-F1504 HydrophobicContact CG1-CE2 4.04Å; V1502-F1504 HydrophobicContact CG1-CZ 3.37Å |
| 1503 | Q | 91.8 | Very high | 78.4 | Confident | 125 Ų | 125 | 75.2 Ų | 75.2 | 58% | 0.584 | 45% | 0.453 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 136 | -177.4 | -165.2 | 179.2 | 65.3 | 0 | 0 | 112.6 | A1481 Y1482 T1483 | A1481-Q1503 HydrophobicContact CB-CG 4.12Å; Y1482-Q1503 WeakPolarHBondContact O-CA 3.34Å; T1483-Q1503 HydrophobicContact CG2-CB 4.43Å |
| 1504 | F | 91.2 | Very high | 77.3 | Confident | 27 Ų | 27 | 83.3 Ų | 83.3 | 12% | 0.118 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 146.3 | -177.6 | -60 | -52.7 | 0 | 0 | 0 | 112.2 | L1420 L1422 L1430 L1432 A1481 Y1482 F1484 V1502 | L1420-F1504 HydrophobicContact CG-CE2 4.29Å; L1422-F1504 HydrophobicContact CB-CD1 3.64Å; L1422-F1504 HydrophobicContact CB-CD2 4.41Å; L1422-F1504 HydrophobicContact CB-CE1 3.67Å; L1422-F1504 HydrophobicContact CB-CE2 4.45Å; L1422-F1504 HydrophobicContact CB-CG 4.03Å; L1422-F1504 HydrophobicContact CB-CZ 4.09Å; L1422-F1504 HydrophobicContact CD1-CB 4.38Å; L1422-F1504 HydrophobicContact CD1-CG 4.36Å; L1422-F1504 HydrophobicContact CD2-CB 4.22Å; L1422-F1504 HydrophobicContact CD2-CD1 4.1Å; L1422-F1504 HydrophobicContact CD2-CG 4.32Å; L1422-F1504 HydrophobicContact CG-CD1 4.37Å; L1422-F1504 HydrophobicContact CG-CG 4.47Å; L1430-F1504 HydrophobicContact CD1-CB 3.85Å; L1430-F1504 HydrophobicContact CD2-CB 4.38Å; L1432-F1504 HydrophobicContact CD2-CD2 3.51Å; L1432-F1504 HydrophobicContact CD2-CE2 3.73Å; A1481-F1504 CarbonylContact C-O 3.55Å; A1481-F1504 WeakPolarHBondContact CA-O 3.21Å; Y1482-F1504 PolarHBondContact N-O 3.45Å; Y1482-F1504 PolarHBondContact O-N 3.42Å; F1484-F1504 AromaticContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CD2-CD2 3.82Å; F1484-F1504 HydrophobicContact CE2-CD2 4.28Å; V1502-F1504 HydrophobicContact CB-CE2 4.22Å; V1502-F1504 HydrophobicContact CB-CZ 3.98Å; V1502-F1504 HydrophobicContact CG1-CD1 4.38Å; V1502-F1504 HydrophobicContact CG1-CE1 3.57Å; V1502-F1504 HydrophobicContact CG1-CE2 4.04Å; V1502-F1504 HydrophobicContact CG1-CZ 3.37Å |
| 1505 | C | 90.4 | Very high | 75.8 | Confident | 74 Ų | 74 | 92.2 Ų | 92.2 | 50% | 0.5 | 52% | 0.521 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 139.9 | -176.3 | -61.5 | 0 | 0 | 0 | 0 | 112.9 | A1425 L1430 T1480 | A1425-C1505 WeakPolarHBondContact CB-O 3.33Å; L1430-C1505 WeakPolarHBondContact CD2-O 3.39Å; T1480-C1505 WeakPolarHBondContact O-CA 3.47Å |
| 1506 | T | 87.7 | Confident | 74.3 | Confident | 10 Ų | 10 | 90.5 Ų | 90.5 | 6% | 0.061 | 53% | 0.532 | C | S | . | . | trans | -71.4 | 153.4 | 174.2 | 48 | 0 | 0 | 0 | 0 | 112.9 | G1426 L1430 L1476 T1477 N1479 T1480 Y1482 | G1426-T1506 WeakPolarHBondContact O-CB 3.27Å; L1430-T1506 HydrophobicContact CD2-CG2 4.19Å; L1430-T1506 HydrophobicContact CG-CG2 4.07Å; L1476-T1506 HydrophobicContact CB-CG2 3.71Å; L1476-T1506 HydrophobicContact CD1-CG2 4.15Å; T1477-T1506 WeakPolarHBondContact O-CB 3.23Å; T1477-T1506 WeakPolarHBondContact O-CG2 3.5Å; T1477-T1506 PolarHBondContact O-OG1 3.11Å; N1479-T1506 PolarHBondContact N-OG1 3.02Å; T1480-T1506 PolarHBondContact N-OG1 2.6Å; T1480-T1506 PolarHBondContact O-N 3.19Å; T1480-T1506 PolarHBondContact O-OG1 2.99Å; Y1482-T1506 HydrophobicContact CE2-CG2 4.37Å | ||
| 1507 | G | 80.9 | Confident | 72.5 | Confident | 22 Ų | 22 | 99.7 Ų | 99.7 | 23% | 0.227 | 56% | 0.564 | C | S | . | * | trans | -85.1 | -154.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | G1426 E1478 | G1426-G1507 PolarHBondContact O-N 2.99Å; E1478-G1507 VanDerWaalsContact CG-O 3.26Å; E1478-G1507 WeakPolarHBondContact CG-O 3.37Å | ||
| 1508 | R | 78.1 | Confident | 70.5 | Confident | 188 Ų | 188 | 104.7 Ų | 104.7 | 71% | 0.709 | 58% | 0.581 | S | S | * | * | trans | -125.9 | 165.3 | 175.2 | -64.6 | -173.4 | -177 | -168 | 0.2 | 112.8 | E1478 N1479 | E1478-R1508 VanDerWaalsContact OE1-CA 3.24Å; E1478-R1508 WeakPolarHBondContact OE1-CA 3.49Å; N1479-R1508 PolarHBondContact OD1-NE 3.46Å; N1479-R1508 PolarHBondContact OD1-NH2 3.07Å; N1479-R1508 VanDerWaalsContact OD1-NH2 3.11Å | ||
| 1509 | T | 75.3 | Confident | 68.4 | Low | 87 Ų | 87 | 106.2 Ų | 106.2 | 53% | 0.534 | 60% | 0.595 | S | S | . | * | trans | -82.4 | 130.8 | -169.9 | -57 | 0 | 0 | 0 | 0 | 114.7 | H1427 E1478 | H1427-T1509 VanDerWaalsContact CB-OG1 3.29Å; H1427-T1509 WeakPolarHBondContact CB-OG1 3.41Å; H1427-T1509 VanDerWaalsContact CG-OG1 3.29Å; E1478-T1509 PolarHBondContact OE1-N 3.38Å; E1478-T1509 PolarHBondContact OE1-OG1 3.39Å | ||
| 1510 | P | 62 | Low | 66.3 | Low | 100 Ų | 100 | 110.7 Ų | 110.7 | 65% | 0.649 | 63% | 0.625 | S | S | * | * | trans | -107.3 | 163 | -177.5 | 11.2 | 10.8 | 0 | 0 | 0 | 116.6 | ||||
| 1511 | P | 57.3 | Low | 64 | Low | 125 Ų | 125 | 108.4 Ų | 108.4 | 81% | 0.812 | 63% | 0.625 | S | S | * | * | trans | -90.4 | 169.7 | 179.4 | 36 | -36.3 | 0 | 0 | 0 | 116.5 | ||||
| 1512 | P | 61.4 | Low | 61.7 | Low | 131 Ų | 131 | 116.3 Ų | 116.3 | 85% | 0.851 | 65% | 0.645 | S | S | * | * | trans | -118.6 | 158.8 | -161.5 | 41.2 | -31.5 | 0 | 0 | 0 | 119.1 | ||||
| 1513 | A | 38.5 | Very low | 59.1 | Low | 106 Ų | 106 | 124.6 Ų | 124.6 | 88% | 0.876 | 67% | 0.671 | S | S | * | * | trans | -160 | 176.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1514 | L | 42.8 | Very low | 56.5 | Low | 183 Ų | 183 | 124.8 Ų | 124.8 | 96% | 0.958 | 67% | 0.672 | S | S | * | * | trans | -109.8 | 175.9 | -156.8 | -71.1 | 161.9 | 0 | 0 | 0 | 118.1 | ||||
| 1515 | K | 41.9 | Very low | 54.5 | Low | 224 Ų | 224 | 130.2 Ų | 130.2 | 97% | 0.974 | 70% | 0.701 | S | S | * | * | trans | -162.7 | 154.8 | -168.9 | -145.4 | 177.8 | -168.3 | 177.2 | 0 | 117.2 | ||||
| 1516 | G | 50.5 | Low | 52 | Low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 72% | 0.716 | S | S | * | * | trans | 155 | 171.9 | 160.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1517 | R | 41.7 | Very low | 49.4 | Very low | 203 Ų | 203 | 138 Ų | 138 | 77% | 0.766 | 74% | 0.744 | S | S | * | * | cis | -166.7 | 137.1 | -37 | -176.3 | 177.8 | -174.4 | 179.3 | -1.6 | 109.9 | N1519 | R1517-N1519 PolarHBondContact NE-OD1 3.37Å; R1517-N1519 PolarHBondContact NH2-ND2 3.32Å; R1517-N1519 VanDerWaalsContact NH2-ND2 3.18Å | ||
| 1518 | N | 44.6 | Very low | 47.3 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -148.3 | 131.8 | 156 | -113.9 | -15.2 | 0 | 0 | 0 | 108.6 | ||||
| 1519 | N | 47.1 | Very low | 45.1 | Very low | 102 Ų | 102 | 145.1 Ų | 145.1 | 55% | 0.545 | 78% | 0.775 | S | S | . | * | trans | -116.5 | 144.3 | -173.8 | -87.1 | 37.7 | 0 | 0 | 0 | 108.7 | R1517 | R1517-N1519 PolarHBondContact NE-OD1 3.37Å; R1517-N1519 PolarHBondContact NH2-ND2 3.32Å; R1517-N1519 VanDerWaalsContact NH2-ND2 3.18Å | ||
| 1520 | C | 43.4 | Very low | 42.8 | Very low | 112 Ų | 112 | 145 Ų | 145 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | 49.5 | 118.8 | 73.5 | -66.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1521 | A | 39.3 | Very low | 41.2 | Very low | 89 Ų | 89 | 146.3 Ų | 146.3 | 74% | 0.736 | 79% | 0.789 | S | S | * | * | 62.3 | 136 | 54.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 1522 | R | 40.7 | Very low | 39.8 | Very low | 241 Ų | 241 | 149.5 Ų | 149.5 | 91% | 0.909 | 79% | 0.79 | S | S | * | * | trans | 65.2 | 90.2 | 140.7 | -166.1 | -176.5 | -168.3 | -179.9 | 4.2 | 118 | ||||
| 1523 | R | 34.2 | Very low | 38.7 | Very low | 223 Ų | 223 | 153.9 Ų | 153.9 | 84% | 0.842 | 80% | 0.796 | S | S | * | * | trans | -173 | 163.5 | 163.3 | -101 | 157.5 | -178.4 | -122.5 | 8.3 | 107.4 | ||||
| 1524 | E | 36.7 | Very low | 38.9 | Very low | 130 Ų | 130 | 155.8 Ų | 155.8 | 61% | 0.607 | 79% | 0.791 | S | S | * | * | cis | -155.9 | 180 | 10 | -140.7 | 151.5 | -123.8 | 0 | 0 | 113.4 | ||||
| 1525 | L | 49.2 | Very low | 38.1 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | -2.6 | 141.7 | 157.7 | -68.3 | 158.3 | 0 | 0 | 0 | 120.8 | ||||
| 1526 | L | 38.2 | Very low | 37.5 | Very low | 155 Ų | 155 | 151.1 Ų | 151.1 | 81% | 0.812 | 78% | 0.776 | S | S | * | * | -179.1 | 149.6 | 98.5 | -98.6 | 174.3 | 0 | 0 | 0 | 116.7 | |||||
| 1527 | S | 34 | Very low | 36.5 | Very low | 93 Ų | 93 | 150.1 Ų | 150.1 | 65% | 0.65 | 76% | 0.76 | S | S | * | * | trans | 65.9 | 135.4 | 138.4 | 72.6 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 1528 | F | 37.5 | Very low | 36 | Very low | 180 Ų | 180 | 146.3 Ų | 146.3 | 79% | 0.789 | 76% | 0.761 | S | S | * | * | 66.3 | 126.9 | 129.6 | -86.8 | -134.5 | 0 | 0 | 0 | 123.2 | |||||
| 1529 | F | 30.6 | Very low | 35.3 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 79% | 0.789 | 75% | 0.748 | S | S | * | * | trans | 58 | 124.1 | 156.4 | -68.1 | -57.3 | 0 | 0 | 0 | 121.9 | ||||
| 1530 | A | 28.3 | Very low | 35 | Very low | 85 Ų | 85 | 150.6 Ų | 150.6 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | 72.2 | 175.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1531 | T | 27.1 | Very low | 34.3 | Very low | 126 Ų | 126 | 151.5 Ų | 151.5 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 11.6 | 116.3 | 155.4 | 48 | 0 | 0 | 0 | 0 | 118.4 | ||
| 1532 | K | 28.4 | Very low | 33.9 | Very low | 192 Ų | 192 | 153.2 Ų | 153.2 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | cis | -141.9 | 150.6 | -8.2 | -70.8 | 179 | 178.1 | 175.6 | 0 | 107 | N1534 | K1532-N1534 PolarHBondContact O-N 3.32Å; K1532-N1534 VanDerWaalsContact O-N 3.1Å | ||
| 1533 | K | 37.9 | Very low | 33.4 | Very low | 223 Ų | 223 | 148.2 Ų | 148.2 | 97% | 0.97 | 75% | 0.754 | S | S | * | * | trans | -55.1 | 116.5 | -173.9 | -87 | -171.7 | 173.9 | -177.6 | 0 | 112.8 | ||||
| 1534 | N | 41.9 | Very low | 33.3 | Very low | 147 Ų | 147 | 143.8 Ų | 143.8 | 79% | 0.786 | 75% | 0.751 | S | S | * | * | trans | -133.3 | 166.7 | 164.2 | -158.7 | -15.4 | 0 | 0 | 0 | 106.4 | K1532 | K1532-N1534 PolarHBondContact O-N 3.32Å; K1532-N1534 VanDerWaalsContact O-N 3.1Å | ||
| 1535 | I | 26.6 | Very low | 33.2 | Very low | 147 Ų | 147 | 142 Ų | 142 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 75.6 | 136.1 | -160.2 | -49.6 | 160.3 | 0 | 0 | 0 | 111 | A1537 | I1535-A1537 HydrophobicContact CG2-CB 3.96Š| ||
| 1536 | L | 30 | Very low | 32.4 | Very low | 162 Ų | 162 | 144.3 Ų | 144.3 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | cis | -60.5 | 139.9 | -1.2 | -59.4 | 165.7 | 0 | 0 | 0 | 111.5 | ||||
| 1537 | A | 28.5 | Very low | 32.1 | Very low | 55 Ų | 55 | 142.5 Ų | 142.5 | 46% | 0.455 | 76% | 0.76 | S | S | . | * | cis | 68.8 | 142.1 | 24.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | I1535 I1539 | I1535-A1537 HydrophobicContact CG2-CB 3.96Å; A1537-I1539 HydrophobicContact CB-CD1 4.03Å; A1537-I1539 HydrophobicContact CB-CG1 4.21Å | ||
| 1538 | P | 31.5 | Very low | 31.8 | Very low | 122 Ų | 122 | 144 Ų | 144 | 79% | 0.792 | 77% | 0.766 | S | S | * | * | cis | -90.1 | 137.8 | 3.5 | 35.1 | -32.3 | 0 | 0 | 0 | 113.4 | ||||
| 1539 | I | 29.6 | Very low | 31.7 | Very low | 123 Ų | 123 | 139.8 Ų | 139.8 | 63% | 0.631 | 76% | 0.764 | S | S | * | * | 96 | 136.4 | 52.5 | -72.3 | 159.5 | 0 | 0 | 0 | 112 | A1537 I1541 | A1537-I1539 HydrophobicContact CB-CD1 4.03Å; A1537-I1539 HydrophobicContact CB-CG1 4.21Å; I1539-I1541 HydrophobicContact CG1-CD1 4.45Å | |||
| 1540 | R | 40.9 | Very low | 31.5 | Very low | 237 Ų | 237 | 135.3 Ų | 135.3 | 89% | 0.894 | 76% | 0.761 | S | S | * | * | trans | 84 | 88.3 | -159.5 | -57.4 | 171.6 | -168.8 | -107.5 | 3.7 | 111.1 | ||||
| 1541 | I | 29.1 | Very low | 31.7 | Very low | 132 Ų | 132 | 137.7 Ų | 137.7 | 68% | 0.677 | 77% | 0.766 | S | S | * | * | cis | 67.2 | 105.2 | 17.7 | -54.1 | 175.5 | 0 | 0 | 0 | 113 | I1539 | I1539-I1541 HydrophobicContact CG1-CD1 4.45Š| ||
| 1542 | V | 30.9 | Very low | 31.6 | Very low | 124 Ų | 124 | 138.4 Ų | 138.4 | 75% | 0.752 | 76% | 0.761 | S | S | * | * | trans | 71.4 | 133.8 | 153.8 | 176 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1543 | D | 29.5 | Very low | 31.5 | Very low | 137 Ų | 137 | 142 Ų | 142 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | cis | -145.3 | 165.4 | 20.1 | -137.4 | -27.1 | 0 | 0 | 0 | 113.6 | ||||
| 1544 | V | 32.3 | Very low | 30.9 | Very low | 130 Ų | 130 | 135.5 Ų | 135.5 | 79% | 0.788 | 75% | 0.752 | S | S | * | * | S | Bend | trans | 38.9 | 111.3 | 163.8 | -168.9 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1545 | A | 36.5 | Very low | 30.1 | Very low | 91 Ų | 91 | 134.3 Ų | 134.3 | 75% | 0.752 | 75% | 0.75 | S | S | * | * | cis | -143.9 | 155.4 | 3.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1546 | E | 30.7 | Very low | 29.9 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | trans | -81.9 | 152.8 | 176.6 | -61 | -169.9 | 77.3 | 0 | 0 | 111 | ||||
| 1547 | T | 31.8 | Very low | 29.7 | Very low | 116 Ų | 116 | 133.3 Ų | 133.3 | 71% | 0.712 | 74% | 0.743 | S | S | * | * | cis | -123.9 | 172 | 16.4 | 50.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1548 | T | 28.6 | Very low | 29.4 | Very low | 126 Ų | 126 | 138.8 Ų | 138.8 | 77% | 0.773 | 76% | 0.761 | S | S | * | * | trans | -33.1 | 125.8 | 160.5 | 52.2 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1549 | A | 34.3 | Very low | 29.3 | Very low | 90 Ų | 90 | 137.9 Ų | 137.9 | 74% | 0.744 | 76% | 0.758 | S | S | * | * | cis | 71.5 | 142.1 | 21.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1550 | A | 27.2 | Very low | 29.2 | Very low | 87 Ų | 87 | 138.3 Ų | 138.3 | 72% | 0.719 | 76% | 0.76 | S | S | * | * | trans | 61.5 | 133.1 | -153.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1551 | V | 32.2 | Very low | 28.8 | Very low | 135 Ų | 135 | 130.6 Ų | 130.6 | 82% | 0.818 | 76% | 0.755 | S | S | * | * | cis | -106.5 | 116.9 | 19 | 173.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1552 | E | 24.8 | Very low | 28.8 | Very low | 141 Ų | 141 | 133 Ų | 133 | 66% | 0.659 | 76% | 0.763 | S | S | * | * | trans | -63.8 | 138.3 | 156.6 | -60.7 | 157.9 | 110.5 | 0 | 0 | 108 | S1554 | E1552-S1554 PolarHBondContact O-N 3.23Š| ||
| 1553 | W | 27 | Very low | 29 | Very low | 268 Ų | 268 | 130.1 Ų | 130.1 | 100% | 1.015 | 76% | 0.759 | S | S | * | * | 51 | 23.3 | 54.2 | -66.1 | 83.4 | 0 | 0 | 0 | 114.6 | |||||
| 1554 | S | 24.9 | Very low | 29.5 | Very low | 85 Ų | 85 | 131.5 Ų | 131.5 | 59% | 0.594 | 77% | 0.766 | S | S | * | * | trans | -128.5 | 135.3 | 150.6 | 68.8 | 0 | 0 | 0 | 0 | 106.5 | E1552 | E1552-S1554 PolarHBondContact O-N 3.23Š| ||
| 1555 | T | 25.6 | Very low | 29.4 | Very low | 123 Ų | 123 | 135 Ų | 135 | 76% | 0.755 | 77% | 0.771 | S | S | * | * | cis | -136.1 | 145.4 | 18.7 | 32.4 | 0 | 0 | 0 | 0 | 109 | ||||
| 1556 | V | 22.8 | Very low | 29.2 | Very low | 115 Ų | 115 | 138.1 Ų | 138.1 | 70% | 0.697 | 77% | 0.774 | S | S | * | * | 64.6 | 125.8 | 67.7 | 173.8 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 1557 | K | 24.8 | Very low | 29.6 | Very low | 173 Ų | 173 | 133.6 Ų | 133.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | trans | 76.8 | 125.3 | 174.9 | -72.3 | 161.2 | -173.3 | 178.1 | 0 | 114.6 | ||||
| 1558 | M | 22.4 | Very low | 29.4 | Very low | 169 Ų | 169 | 137.1 Ų | 137.1 | 83% | 0.833 | 77% | 0.771 | S | S | * | * | 57.9 | 125.1 | 76.7 | -58.6 | 165.1 | 65.6 | 0 | 0 | 110.4 | |||||
| 1559 | S | 30.5 | Very low | 29.3 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -136.7 | 149 | 29.6 | 44.8 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1560 | L | 27.3 | Very low | 29.2 | Very low | 131 Ų | 131 | 136.8 Ų | 136.8 | 69% | 0.686 | 77% | 0.769 | S | S | * | * | 52 | 95.5 | 75.9 | -88.4 | 157.9 | 0 | 0 | 0 | 113 | E1562 | L1560-E1562 HydrophobicContact CD2-CG 3.75Š| |||
| 1561 | G | 32.8 | Very low | 29.5 | Very low | 75 Ų | 75 | 140.5 Ų | 140.5 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | -94.2 | 147.4 | 128.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 1562 | E | 28.7 | Very low | 29.3 | Very low | 182 Ų | 182 | 141.5 Ų | 141.5 | 85% | 0.85 | 77% | 0.772 | S | S | * | * | trans | -99 | 139 | -170.1 | -70.9 | 173.2 | 133.8 | 0 | 0 | 112.2 | L1560 | L1560-E1562 HydrophobicContact CD2-CG 3.75Š| ||
| 1563 | G | 34.4 | Very low | 29.5 | Very low | 65 Ų | 65 | 145 Ų | 145 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | trans | 116.1 | 106.6 | -172.8 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 1564 | D | 39.7 | Very low | 29.7 | Very low | 166 Ų | 166 | 141.5 Ų | 141.5 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | cis | -137 | 145.7 | -1.2 | -78 | -55.8 | 0 | 0 | 0 | 111.9 | ||||
| 1565 | K | 30.5 | Very low | 30.2 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -141 | 85.7 | 173.9 | -84.3 | -171.4 | 173.8 | -178.7 | 0 | 110.7 | ||||
| 1566 | L | 32.2 | Very low | 30.4 | Very low | 157 Ų | 157 | 142.9 Ų | 142.9 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -155.2 | 46.1 | 173.5 | -115.5 | 164.5 | 0 | 0 | 0 | 114.8 | Y1568 | L1566-Y1568 HydrophobicContact CD2-CD2 4.38Å; L1566-Y1568 HydrophobicContact CD2-CE2 4.47Å | ||
| 1567 | A | 38.8 | Very low | 30.8 | Very low | 95 Ų | 95 | 140.3 Ų | 140.3 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | -149.5 | 62 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1568 | Y | 27.6 | Very low | 31.4 | Very low | 189 Ų | 189 | 141 Ų | 141 | 74% | 0.741 | 77% | 0.774 | S | S | * | * | 47.9 | 96.9 | 100.3 | -99.9 | -91.1 | 0 | 0 | 0 | 112.5 | L1566 | L1566-Y1568 HydrophobicContact CD2-CD2 4.38Å; L1566-Y1568 HydrophobicContact CD2-CE2 4.47Å | |||
| 1569 | A | 27.3 | Very low | 31.8 | Very low | 96 Ų | 96 | 136.8 Ų | 136.8 | 79% | 0.793 | 77% | 0.774 | S | S | * | * | 62.3 | 51.9 | 62.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 1570 | V | 31.3 | Very low | 31.9 | Very low | 114 Ų | 114 | 135 Ų | 135 | 69% | 0.691 | 77% | 0.772 | S | S | * | * | trans | -127.4 | 133.3 | 168.8 | -179.7 | 0 | 0 | 0 | 0 | 109.2 | L1572 | V1570-L1572 PolarHBondContact O-N 3.23Š| ||
| 1571 | E | 34.3 | Very low | 32.2 | Very low | 165 Ų | 165 | 139.2 Ų | 139.2 | 77% | 0.771 | 78% | 0.778 | S | S | * | * | trans | 51.3 | 53.6 | 161.7 | -64.3 | -174.6 | 173.3 | 0 | 0 | 121.1 | R1573 | E1571-R1573 HydrophobicContact CG-CB 4.27Å; E1571-R1573 PolarHBondContact O-N 3.23Å; E1571-R1573 VanDerWaalsContact O-N 3.16Å | ||
| 1572 | L | 28.3 | Very low | 32.1 | Very low | 156 Ų | 156 | 142.9 Ų | 142.9 | 82% | 0.817 | 77% | 0.773 | S | S | * | * | trans | -75.4 | 69.7 | 130.6 | -146.6 | 174.8 | 0 | 0 | 0 | 108.7 | V1570 L1576 | V1570-L1572 PolarHBondContact O-N 3.23Å; L1572-L1576 HydrophobicContact CD2-CD1 4.37Å | ||
| 1573 | R | 28.6 | Very low | 32.2 | Very low | 215 Ų | 215 | 140.8 Ų | 140.8 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -147.8 | 11 | -174.1 | -123.7 | 174.2 | -148.7 | -122.4 | 1.8 | 119.3 | E1571 | E1571-R1573 HydrophobicContact CG-CB 4.27Å; E1571-R1573 PolarHBondContact O-N 3.23Å; E1571-R1573 VanDerWaalsContact O-N 3.16Å | ||
| 1574 | H | 31.8 | Very low | 32.2 | Very low | 193 Ų | 193 | 146.4 Ų | 146.4 | 89% | 0.894 | 78% | 0.776 | S | S | * | * | S | Bend | trans | -141.7 | 135.3 | 156.2 | -108.2 | -106.8 | 0 | 0 | 0 | 106.8 | ||
| 1575 | A | 33.8 | Very low | 31.9 | Very low | 66 Ų | 66 | 145.5 Ų | 145.5 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | cis | -164.1 | 134 | -24.1 | 0 | 0 | 0 | 0 | 0 | 104.2 | A1577 | A1575-A1577 HydrophobicContact CB-CB 4.11Š| ||
| 1576 | L | 30.9 | Very low | 32.1 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 90% | 0.901 | 76% | 0.764 | S | S | * | * | cis | 58.6 | 21.4 | 9.1 | -72.5 | 175.4 | 0 | 0 | 0 | 116 | L1572 | L1572-L1576 HydrophobicContact CD2-CD1 4.37Š| ||
| 1577 | A | 30.7 | Very low | 32 | Very low | 60 Ų | 60 | 142.6 Ų | 142.6 | 50% | 0.496 | 76% | 0.762 | S | S | . | * | trans | -141.6 | 133.5 | 153.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | A1575 | A1575-A1577 HydrophobicContact CB-CB 4.11Š| ||
| 1578 | H | 36.8 | Very low | 31.8 | Very low | 189 Ų | 189 | 145.9 Ų | 145.9 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | S | Bend | trans | 59.9 | 100.6 | -162.8 | -42.1 | -85.2 | 0 | 0 | 0 | 112.3 | ||
| 1579 | G | 32 | Very low | 32.1 | Very low | 80 Ų | 80 | 145 Ų | 145 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | cis | 82.9 | 111.6 | 10.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1580 | G | 32.2 | Very low | 32.3 | Very low | 67 Ų | 67 | 146.8 Ų | 146.8 | 69% | 0.691 | 76% | 0.761 | S | S | * | * | cis | 154.8 | -175.6 | -4.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1581 | R | 33.7 | Very low | 32.2 | Very low | 218 Ų | 218 | 152.2 Ų | 152.2 | 82% | 0.823 | 77% | 0.77 | S | S | * | * | trans | 67.9 | 164 | -179.8 | -53.2 | -179 | -179.9 | -120 | 3.4 | 114 | ||||
| 1582 | F | 31.1 | Very low | 32 | Very low | 153 Ų | 153 | 152.5 Ų | 152.5 | 67% | 0.671 | 77% | 0.772 | S | S | * | * | cis | -143.4 | 147.6 | -23.1 | -113.6 | -158.5 | 0 | 0 | 0 | 103.4 | ||||
| 1583 | L | 29.4 | Very low | 32 | Very low | 138 Ų | 138 | 153.3 Ų | 153.3 | 72% | 0.723 | 78% | 0.776 | S | S | * | * | 68.2 | 43.3 | 52 | -131.5 | 178.3 | 0 | 0 | 0 | 115.4 | |||||
| 1584 | E | 34.5 | Very low | 31.9 | Very low | 183 Ų | 183 | 147.4 Ų | 147.4 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -153.3 | 133 | 148 | -101.1 | 158 | -161.4 | 0 | 0 | 104.2 | ||||
| 1585 | D | 33.7 | Very low | 31.9 | Very low | 146 Ų | 146 | 145.4 Ų | 145.4 | 78% | 0.781 | 76% | 0.762 | S | S | * | * | cis | -130.4 | 130.5 | 31.6 | -154.7 | -16.7 | 0 | 0 | 0 | 113.1 | ||||
| 1586 | V | 35.1 | Very low | 31.8 | Very low | 121 Ų | 121 | 148.3 Ų | 148.3 | 73% | 0.733 | 77% | 0.767 | S | S | * | * | trans | -132.1 | 83.9 | 175.5 | 178.8 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1587 | K | 30.5 | Very low | 31.8 | Very low | 179 Ų | 179 | 146.6 Ų | 146.6 | 78% | 0.778 | 76% | 0.757 | S | S | * | * | trans | -167.3 | 41.4 | 168.3 | -110.3 | 146.5 | -164.1 | 169.5 | 0 | 119.5 | ||||
| 1588 | L | 35.3 | Very low | 31.6 | Very low | 164 Ų | 164 | 150.3 Ų | 150.3 | 86% | 0.859 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -141.9 | 76.1 | 149.4 | -133.4 | 74.5 | 0 | 0 | 0 | 111.3 | ||
| 1589 | K | 32.5 | Very low | 31.1 | Very low | 171 Ų | 171 | 146.9 Ų | 146.9 | 74% | 0.743 | 77% | 0.765 | S | S | * | * | 65.6 | 95.3 | 106.5 | -69.2 | 178 | -179.8 | 178.8 | 0 | 111.9 | |||||
| 1590 | L | 33 | Very low | 31 | Very low | 133 Ų | 133 | 149.8 Ų | 149.8 | 70% | 0.696 | 77% | 0.771 | S | S | * | * | cis | 53.9 | 58.8 | 49.9 | -120.3 | 175 | 0 | 0 | 0 | 111.1 | C1594 | L1590-C1594 HydrophobicContact CD2-CB 3.65Š| ||
| 1591 | Y | 28 | Very low | 30.8 | Very low | 227 Ų | 227 | 149.9 Ų | 149.9 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -144.8 | 21.5 | 158.3 | -137.6 | -89.6 | 0 | 0 | 0 | 114.1 | ||||
| 1592 | Q | 30.1 | Very low | 30.4 | Very low | 172 Ų | 172 | 142.2 Ų | 142.2 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -127.1 | 138.9 | 157.6 | -76.5 | -173.7 | -26.1 | 0 | 0 | 107.9 | ||
| 1593 | L | 28.8 | Very low | 30.3 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 91% | 0.906 | 76% | 0.758 | S | S | * | * | S | Bend | trans | 60.2 | 46.8 | 175 | -65.6 | 141.8 | 0 | 0 | 0 | 116.1 | ||
| 1594 | C | 26.8 | Very low | 30.3 | Very low | 90 Ų | 90 | 138.4 Ų | 138.4 | 61% | 0.608 | 76% | 0.758 | S | S | * | * | trans | -136.5 | 69.3 | 154.3 | -95.4 | 0 | 0 | 0 | 0 | 112.1 | L1590 | L1590-C1594 HydrophobicContact CD2-CB 3.65Š| ||
| 1595 | L | 30.5 | Very low | 30 | Very low | 151 Ų | 151 | 134.5 Ų | 134.5 | 79% | 0.791 | 75% | 0.751 | S | S | * | * | trans | -131.3 | 119.3 | 133.9 | -86.3 | 114.9 | 0 | 0 | 0 | 106.1 | ||||
| 1596 | I | 33 | Very low | 29.8 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 65% | 0.651 | 76% | 0.757 | S | S | * | * | 69.3 | 90.2 | 69.6 | -63.9 | 167.2 | 0 | 0 | 0 | 107.8 | |||||
| 1597 | I | 30.4 | Very low | 29.5 | Very low | 137 Ų | 137 | 137.7 Ų | 137.7 | 70% | 0.703 | 76% | 0.762 | S | S | * | * | 96.2 | 129 | 75.4 | -84.1 | 164.3 | 0 | 0 | 0 | 110.8 | |||||
| 1598 | N | 27.3 | Very low | 29.5 | Very low | 138 Ų | 138 | 137.7 Ų | 137.7 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | trans | 52 | 124 | 159.2 | -68.3 | -7.7 | 0 | 0 | 0 | 121.5 | ||||
| 1599 | C | 26.4 | Very low | 29.2 | Very low | 117 Ų | 117 | 139.1 Ų | 139.1 | 79% | 0.791 | 77% | 0.765 | S | S | * | * | trans | 71.8 | 166.5 | 139.5 | -60.8 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1600 | C | 28.2 | Very low | 29 | Very low | 141 Ų | 141 | 142.2 Ų | 142.2 | 95% | 0.953 | 77% | 0.772 | S | S | * | * | trans | 62.8 | 149.9 | -162.4 | -59.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1601 | G | 28.3 | Very low | 28.8 | Very low | 68 Ų | 68 | 141.7 Ų | 141.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 147.4 | 129 | 3.1 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1602 | G | 26.4 | Very low | 28.8 | Very low | 58 Ų | 58 | 138.1 Ų | 138.1 | 60% | 0.598 | 77% | 0.769 | S | S | * | * | trans | -81.4 | -177.2 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1603 | A | 28 | Very low | 28.7 | Very low | 75 Ų | 75 | 138.2 Ų | 138.2 | 62% | 0.62 | 77% | 0.767 | S | S | * | * | trans | 93.3 | 145.6 | 159.2 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1604 | D | 30.5 | Very low | 29 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | 66.6 | 92.1 | 150.4 | -60.5 | -5.4 | 0 | 0 | 0 | 121.4 | ||||
| 1605 | S | 28.2 | Very low | 29.4 | Very low | 102 Ų | 102 | 142.5 Ų | 142.5 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | S | Bend | trans | -62.1 | 143.9 | 139.9 | 59.6 | 0 | 0 | 0 | 0 | 112.3 | ||
| 1606 | L | 29.7 | Very low | 29.8 | Very low | 172 Ų | 172 | 139.6 Ų | 139.6 | 90% | 0.901 | 77% | 0.769 | S | S | * | * | trans | 71.5 | 77.2 | 156.7 | -61.5 | 167.4 | 0 | 0 | 0 | 118.6 | ||||
| 1607 | L | 27.3 | Very low | 29.9 | Very low | 161 Ų | 161 | 142 Ų | 142 | 84% | 0.843 | 78% | 0.775 | S | S | * | * | trans | -128 | 149.6 | 147.7 | -124.8 | 170.2 | 0 | 0 | 0 | 110.1 | ||||
| 1608 | Q | 30.3 | Very low | 29.8 | Very low | 180 Ų | 180 | 142.7 Ų | 142.7 | 84% | 0.841 | 78% | 0.779 | S | S | * | * | trans | 70.1 | 104.1 | -169.9 | -53 | -176.2 | -12 | 0 | 0 | 113.5 | ||||
| 1609 | K | 29.7 | Very low | 30 | Very low | 194 Ų | 194 | 143.1 Ų | 143.1 | 84% | 0.843 | 78% | 0.777 | S | S | * | * | cis | 64.6 | 105.4 | 48.3 | -69.4 | -175.8 | 172.8 | 171 | 0 | 116.2 | ||||
| 1610 | R | 27.6 | Very low | 30.2 | Very low | 236 Ų | 236 | 147.7 Ų | 147.7 | 89% | 0.891 | 78% | 0.777 | S | S | * | * | trans | 62.4 | 98.5 | 142.2 | -69.6 | -178.1 | 165.1 | 180 | -5.6 | 119.7 | ||||
| 1611 | C | 30.2 | Very low | 30.2 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | 179 | 120.8 | 104 | -92.9 | 0 | 0 | 0 | 0 | 106.6 | |||||
| 1612 | E | 27.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 148.8 Ų | 148.8 | 71% | 0.71 | 77% | 0.767 | S | S | * | * | 65.9 | 127.6 | 55.6 | -148.5 | -162 | -93.1 | 0 | 0 | 113.7 | |||||
| 1613 | K | 28.9 | Very low | 30.5 | Very low | 175 Ų | 175 | 152 Ų | 152 | 76% | 0.761 | 78% | 0.78 | S | S | * | * | trans | 71.5 | 92.9 | 176.5 | -54.5 | -178.5 | 175 | 82.8 | 0 | 117.7 | ||||
| 1614 | C | 34.7 | Very low | 30.4 | Very low | 135 Ų | 135 | 153 Ų | 153 | 91% | 0.912 | 79% | 0.788 | S | S | * | * | -174.6 | 87.6 | 117.1 | -103.1 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 1615 | Y | 33.7 | Very low | 30.1 | Very low | 217 Ų | 217 | 153 Ų | 153 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -66.5 | 173 | 159.5 | -121.8 | -121.4 | 0 | 0 | 0 | 109.9 | ||||
| 1616 | P | 40.7 | Very low | 29.9 | Very low | 91 Ų | 91 | 159.1 Ų | 159.1 | 59% | 0.591 | 80% | 0.802 | S | S | * | * | cis | -150.5 | -177.5 | 22.9 | 46.3 | -27.1 | 0 | 0 | 0 | 119 | ||||
| 1617 | K | 33.6 | Very low | 29.6 | Very low | 177 Ų | 177 | 156.3 Ų | 156.3 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | trans | 73.1 | 132.9 | 160.8 | -57.6 | 166.6 | -171.9 | 177.8 | 0 | 116.6 | ||||
| 1618 | L | 29.8 | Very low | 29.5 | Very low | 152 Ų | 152 | 158 Ų | 158 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | cis | -110.4 | 131.9 | -8.6 | -75.8 | 87.8 | 0 | 0 | 0 | 108.2 | ||||
| 1619 | Q | 31 | Very low | 29.4 | Very low | 147 Ų | 147 | 152.8 Ų | 152.8 | 69% | 0.687 | 78% | 0.777 | S | S | * | * | 54.6 | 137.4 | 84.3 | -62.3 | -168.6 | -4.7 | 0 | 0 | 114.1 | |||||
| 1620 | R | 29.2 | Very low | 29.3 | Very low | 213 Ų | 213 | 152.2 Ų | 152.2 | 80% | 0.804 | 78% | 0.777 | S | S | * | * | cis | -172.5 | 163.1 | -1.8 | -109.8 | 176.9 | 162.6 | 178.4 | -7 | 106.8 | ||||
| 1621 | V | 28.1 | Very low | 29.2 | Very low | 124 Ų | 124 | 147.6 Ų | 147.6 | 75% | 0.752 | 77% | 0.769 | S | S | * | * | cis | -167 | 152.5 | -27 | 119.9 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1622 | P | 36.7 | Very low | 29.1 | Very low | 107 Ų | 107 | 149.6 Ų | 149.6 | 70% | 0.695 | 77% | 0.766 | S | S | * | * | trans | -96.4 | 172.2 | -175.7 | 38.6 | -36.7 | 0 | 0 | 0 | 115.3 | ||||
| 1623 | C | 25.1 | Very low | 29.3 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | 72 | 163 | 165.7 | -65 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1624 | A | 25.7 | Very low | 29.2 | Very low | 97 Ų | 97 | 142.2 Ų | 142.2 | 80% | 0.802 | 76% | 0.761 | S | S | * | * | trans | 76.5 | 129.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1625 | T | 24.7 | Very low | 28.8 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -39.6 | 127.5 | 153.1 | -27.5 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 1626 | Y | 24.6 | Very low | 28.4 | Very low | 230 Ų | 230 | 137.9 Ų | 137.9 | 90% | 0.902 | 75% | 0.753 | S | S | * | * | trans | -164.5 | 143 | 146.2 | -115.3 | -72.4 | 0 | 0 | 0 | 112.5 | ||||
| 1627 | T | 23.5 | Very low | 27.7 | Very low | 113 Ų | 113 | 143.1 Ų | 143.1 | 69% | 0.693 | 76% | 0.762 | S | S | * | * | trans | -102.1 | 133.4 | 177.2 | 49.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1628 | F | 23.8 | Very low | 27.2 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 86% | 0.86 | 76% | 0.759 | S | S | * | * | trans | 160.5 | 149.6 | 145.9 | -104.8 | -137.1 | 0 | 0 | 0 | 108 | ||||
| 1629 | S | 29 | Very low | 26.9 | Very low | 72 Ų | 72 | 138.4 Ų | 138.4 | 50% | 0.503 | 76% | 0.763 | S | S | . | * | cis | 164.1 | 124.6 | -20.8 | 53.5 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 1630 | Q | 26.5 | Very low | 26.7 | Very low | 182 Ų | 182 | 141.8 Ų | 141.8 | 85% | 0.85 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -172.1 | 128.9 | 144.5 | -77.7 | -147 | 8 | 0 | 0 | 107.3 | ||
| 1631 | L | 26.5 | Very low | 26.5 | Very low | 139 Ų | 139 | 137.7 Ų | 137.7 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | S | Bend | cis | -132 | 123.9 | -20.8 | -82.7 | 132.2 | 0 | 0 | 0 | 105.9 | ||
| 1632 | H | 27.9 | Very low | 26.5 | Very low | 162 Ų | 162 | 136.8 Ų | 136.8 | 75% | 0.75 | 76% | 0.759 | S | S | * | * | 75.8 | 139.3 | 83 | -131.1 | -88.1 | 0 | 0 | 0 | 114 | |||||
| 1633 | P | 30.9 | Very low | 26 | Very low | 107 Ų | 107 | 135.8 Ų | 135.8 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | -116.6 | -175.6 | -53.2 | 43.4 | -31.1 | 0 | 0 | 0 | 109.2 | |||||
| 1634 | G | 26.5 | Very low | 26.2 | Very low | 65 Ų | 65 | 134.9 Ų | 134.9 | 67% | 0.67 | 75% | 0.75 | S | S | * | * | cis | 89.9 | 105.4 | 21.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1635 | V | 27.7 | Very low | 26.2 | Very low | 125 Ų | 125 | 141.3 Ų | 141.3 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | trans | -172.9 | 134.7 | 151.5 | 135.8 | 0 | 0 | 0 | 0 | 110.2 | Y1637 | V1635-Y1637 HydrophobicContact CG1-CD2 4.43Š| ||
| 1636 | T | 25.9 | Very low | 26.3 | Very low | 137 Ų | 137 | 143.1 Ų | 143.1 | 84% | 0.84 | 76% | 0.757 | S | S | * | * | trans | -118.6 | 95.9 | 166.1 | 46.8 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1637 | Y | 24.8 | Very low | 26.5 | Very low | 200 Ų | 200 | 136.3 Ų | 136.3 | 78% | 0.784 | 74% | 0.742 | S | S | * | * | trans | -142.5 | 133.3 | 160.5 | -75.9 | -85.4 | 0 | 0 | 0 | 105 | V1635 | V1635-Y1637 HydrophobicContact CG1-CD2 4.43Š| ||
| 1638 | A | 23.4 | Very low | 26.9 | Very low | 84 Ų | 84 | 135.8 Ų | 135.8 | 69% | 0.694 | 74% | 0.741 | S | S | * | * | 66.9 | 139 | 50.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 1639 | V | 22.9 | Very low | 27.1 | Very low | 146 Ų | 146 | 132.6 Ų | 132.6 | 89% | 0.885 | 74% | 0.738 | S | S | * | * | trans | 80.2 | 138.8 | -178.4 | -167.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1640 | R | 27.2 | Very low | 27.1 | Very low | 219 Ų | 219 | 133.7 Ų | 133.7 | 83% | 0.826 | 75% | 0.745 | S | S | * | * | trans | -81.2 | -173.8 | 178.2 | -67.2 | 173.7 | 167.1 | 147 | -5.5 | 111.5 | ||||
| 1641 | V | 24.7 | Very low | 27.3 | Very low | 127 Ų | 127 | 129.9 Ų | 129.9 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | trans | 117.9 | 116.8 | 146.5 | -177.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 1642 | N | 27.8 | Very low | 27.4 | Very low | 105 Ų | 105 | 131 Ų | 131 | 56% | 0.561 | 73% | 0.729 | S | S | * | * | trans | -34.3 | 143 | 165.3 | -57.7 | -59.8 | 0 | 0 | 0 | 116 | E1651 | N1642-E1651 VanDerWaalsContact ND2-CD 3.34Å; N1642-E1651 PolarHBondContact ND2-OE2 3.3Å | ||
| 1643 | A | 26.3 | Very low | 27.3 | Very low | 86 Ų | 86 | 128 Ų | 128 | 71% | 0.711 | 72% | 0.715 | S | S | * | * | 179.1 | 130 | 107.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1644 | V | 29.7 | Very low | 27 | Very low | 107 Ų | 107 | 130.8 Ų | 130.8 | 65% | 0.648 | 72% | 0.716 | S | S | * | * | 46.4 | 109.9 | 127.1 | -177 | 0 | 0 | 0 | 0 | 116.3 | |||||
| 1645 | R | 26.4 | Very low | 27 | Very low | 231 Ų | 231 | 131.3 Ų | 131.3 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | S | Bend | cis | -144.7 | 159.6 | 40.8 | -63.4 | 178.1 | 174.3 | 149.1 | -0.7 | 111.2 | ||
| 1646 | L | 25.6 | Very low | 26.9 | Very low | 173 Ų | 173 | 132.6 Ų | 132.6 | 91% | 0.906 | 71% | 0.712 | S | S | * | * | S | Bend | cis | -85.9 | 156.5 | -0.4 | -84.5 | 165.1 | 0 | 0 | 0 | 113 | ||
| 1647 | C | 29.6 | Very low | 26.9 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 58% | 0.581 | 71% | 0.706 | S | S | * | * | trans | -80.2 | 165.9 | -178.3 | -69.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1648 | P | 31.8 | Very low | 27 | Very low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 71% | 0.709 | S | S | * | * | cis | -137.4 | 165.2 | -13.7 | 33.5 | -14.3 | 0 | 0 | 0 | 115.8 | ||||
| 1649 | T | 27.8 | Very low | 27.1 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 71% | 0.705 | S | S | * | * | trans | 56.3 | 147.6 | 141.1 | 53.5 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1650 | S | 30.2 | Very low | 27.2 | Very low | 94 Ų | 94 | 131 Ų | 131 | 66% | 0.657 | 70% | 0.697 | S | S | * | * | cis | -166.4 | 135.5 | -18.1 | 48.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 1651 | E | 29.8 | Very low | 27.5 | Very low | 102 Ų | 102 | 126.9 Ų | 126.9 | 48% | 0.477 | 70% | 0.696 | S | S | . | * | 31 | 120.4 | 95.2 | -73.8 | -157.7 | 139.2 | 0 | 0 | 115.2 | N1642 | N1642-E1651 VanDerWaalsContact ND2-CD 3.34Å; N1642-E1651 PolarHBondContact ND2-OE2 3.3Å | |||
| 1652 | Q | 28.3 | Very low | 28 | Very low | 163 Ų | 163 | 126.7 Ų | 126.7 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | 163.7 | 151.5 | 114.9 | -88.1 | -153.3 | 35.2 | 0 | 0 | 110.7 | |||||
| 1653 | Q | 26.2 | Very low | 28.2 | Very low | 98 Ų | 98 | 124.8 Ų | 124.8 | 46% | 0.458 | 70% | 0.703 | S | S | . | * | cis | -168 | 154.2 | -28.8 | -131.3 | -179.1 | 55.5 | 0 | 0 | 107 | ||||
| 1654 | K | 24.7 | Very low | 29 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 72% | 0.722 | 71% | 0.706 | S | S | * | * | trans | 61.6 | -178.7 | 152.3 | -77.3 | 174.6 | -177.6 | 147.3 | 0 | 116.1 | ||||
| 1655 | S | 25.8 | Very low | 29.1 | Very low | 77 Ų | 77 | 126.6 Ų | 126.6 | 54% | 0.538 | 71% | 0.712 | S | S | . | * | cis | -160.9 | -179.8 | -48.9 | 58.2 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1656 | D | 25 | Very low | 29.3 | Very low | 151 Ų | 151 | 120.7 Ų | 120.7 | 81% | 0.807 | 71% | 0.706 | S | S | * | * | trans | 46.7 | 107.6 | 151.6 | -43.6 | -37.6 | 0 | 0 | 0 | 119.1 | ||||
| 1657 | G | 27.5 | Very low | 29.4 | Very low | 68 Ų | 68 | 118.6 Ų | 118.6 | 70% | 0.701 | 70% | 0.701 | S | S | * | * | trans | 179.6 | 87.9 | 169 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1658 | F | 26.7 | Very low | 29.3 | Very low | 193 Ų | 193 | 118.6 Ų | 118.6 | 85% | 0.846 | 71% | 0.707 | S | S | * | * | 25.1 | 129.6 | 124.1 | -78.1 | -122 | 0 | 0 | 0 | 117 | |||||
| 1659 | L | 25.6 | Very low | 29 | Very low | 117 Ų | 117 | 120.1 Ų | 120.1 | 61% | 0.613 | 71% | 0.714 | S | S | * | * | cis | -169.3 | 166.4 | 14 | -160.1 | 63.4 | 0 | 0 | 0 | 110.6 | ||||
| 1660 | E | 25.1 | Very low | 28.9 | Very low | 156 Ų | 156 | 123.4 Ų | 123.4 | 73% | 0.729 | 72% | 0.718 | S | S | * | * | trans | 32.5 | 115 | 153.6 | -76.6 | 148.6 | -148.5 | 0 | 0 | 120.1 | ||||
| 1661 | V | 32.1 | Very low | 28.6 | Very low | 133 Ų | 133 | 124.2 Ų | 124.2 | 81% | 0.806 | 72% | 0.719 | S | S | * | * | cis | 58.7 | 128.5 | 44.3 | -172.3 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1662 | P | 35.7 | Very low | 28.4 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | cis | -129.4 | -173 | 16.2 | 33 | -10.9 | 0 | 0 | 0 | 116.2 | ||||
| 1663 | G | 32.8 | Very low | 28.2 | Very low | 64 Ų | 64 | 124.4 Ų | 124.4 | 66% | 0.66 | 73% | 0.732 | S | S | * | * | trans | -92 | -145.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 1664 | P | 42.2 | Very low | 28.1 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 78% | 0.779 | 74% | 0.74 | S | S | * | * | cis | -141.8 | -173.4 | 1.6 | 43.7 | -25.4 | 0 | 0 | 0 | 116.5 | ||||
| 1665 | S | 32 | Very low | 28.5 | Very low | 112 Ų | 112 | 118.7 Ų | 118.7 | 78% | 0.783 | 73% | 0.728 | S | S | * | * | trans | 93.3 | 134.5 | 145.2 | 78.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1666 | S | 30.6 | Very low | 29 | Very low | 106 Ų | 106 | 117.8 Ų | 117.8 | 74% | 0.741 | 72% | 0.72 | S | S | * | * | trans | 87.5 | 132.2 | 145.1 | -154.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1667 | T | 28.8 | Very low | 29.3 | Very low | 129 Ų | 129 | 114.1 Ų | 114.1 | 79% | 0.791 | 70% | 0.703 | S | S | * | * | trans | 90.2 | 141.4 | 146.3 | -4.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1668 | A | 27.3 | Very low | 29.4 | Very low | 87 Ų | 87 | 122.5 Ų | 122.5 | 72% | 0.719 | 71% | 0.714 | S | S | * | * | trans | 71.1 | 104.2 | 153.5 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 1669 | V | 25.3 | Very low | 29.8 | Very low | 135 Ų | 135 | 118.5 Ų | 118.5 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | 19.9 | 111.5 | 129.3 | -172.8 | 0 | 0 | 0 | 0 | 117.5 | |||||
| 1670 | F | 25.1 | Very low | 30.1 | Very low | 198 Ų | 198 | 122.7 Ų | 122.7 | 87% | 0.868 | 71% | 0.709 | S | S | * | * | trans | -152.9 | 162.5 | 130.9 | -125.5 | -84 | 0 | 0 | 0 | 111 | ||||
| 1671 | T | 25 | Very low | 30.3 | Very low | 110 Ų | 110 | 121 Ų | 121 | 68% | 0.675 | 71% | 0.709 | S | S | * | * | trans | -79.7 | 174.8 | 179.5 | 51.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 1672 | T | 24.6 | Very low | 30.2 | Very low | 111 Ų | 111 | 118.8 Ų | 118.8 | 68% | 0.681 | 70% | 0.7 | S | S | * | * | trans | 122.3 | 113.8 | 135.2 | -43.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1673 | L | 23.8 | Very low | 29.9 | Very low | 159 Ų | 159 | 121.7 Ų | 121.7 | 83% | 0.832 | 70% | 0.703 | S | S | * | * | trans | 46.9 | 129.9 | 151.6 | -61.3 | 170.5 | 0 | 0 | 0 | 121.9 | ||||
| 1674 | A | 25.2 | Very low | 29.7 | Very low | 76 Ų | 76 | 124.9 Ų | 124.9 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | trans | 63.1 | 113.7 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 1675 | S | 31.3 | Very low | 29.2 | Very low | 68 Ų | 68 | 125 Ų | 125 | 48% | 0.476 | 71% | 0.708 | S | S | . | * | trans | 79 | 161.9 | 136.4 | -51.8 | 0 | 0 | 0 | 0 | 118.5 | A400 | A400-S1675 WeakPolarHBondContact CA-OG 3.43Å; A400-S1675 VanDerWaalsContact CB-CA 3.49Å; A400-S1675 VanDerWaalsContact CB-CB 3.43Å; A400-S1675 WeakPolarHBondContact CB-OG 3.39Å | ||
| 1676 | P | 36.9 | Very low | 28.9 | Very low | 58 Ų | 58 | 125.3 Ų | 125.3 | 38% | 0.377 | 71% | 0.71 | S | S | . | * | cis | -137.7 | 168.5 | -22.6 | 30.5 | -10 | 0 | 0 | 0 | 116.7 | A400 G401 D402 | A400-P1676 HydrophobicContact CB-CB 3.85Å; G401-P1676 WeakPolarHBondContact O-CB 3.47Å; D402-P1676 HydrophobicContact CB-CB 4.37Å; D402-P1676 HydrophobicContact CB-CG 3.48Å; D402-P1676 VanDerWaalsContact CB-CG 3.48Å | ||
| 1677 | V | 31.9 | Very low | 29 | Very low | 74 Ų | 74 | 124.9 Ų | 124.9 | 45% | 0.448 | 71% | 0.713 | S | S | . | * | trans | 27.9 | 115.3 | 138.6 | -176.9 | 0 | 0 | 0 | 0 | 119.3 | A400 N1679 | A400-V1677 WeakPolarHBondContact O-CG2 3.41Å; V1677-N1679 HydrophobicContact CG1-CB 3.92Å; V1677-N1679 VanDerWaalsContact CG1-CG 3.45Å; V1677-N1679 WeakPolarHBondContact CG1-ND2 3.25Å | ||
| 1678 | R | 30.4 | Very low | 29 | Very low | 244 Ų | 244 | 123.2 Ų | 123.2 | 92% | 0.921 | 71% | 0.712 | S | S | * | * | -142.4 | 116.7 | 117.8 | -104.5 | 167 | -175.2 | -178.4 | -0.1 | 108.7 | |||||
| 1679 | N | 33.6 | Very low | 29.1 | Very low | 108 Ų | 108 | 125.2 Ų | 125.2 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | 59.7 | 128.8 | 58.8 | -83.5 | -12.3 | 0 | 0 | 0 | 113.2 | V1677 | V1677-N1679 HydrophobicContact CG1-CB 3.92Å; V1677-N1679 VanDerWaalsContact CG1-CG 3.45Å; V1677-N1679 WeakPolarHBondContact CG1-ND2 3.25Å | |||
| 1680 | R | 32.6 | Very low | 29.2 | Very low | 205 Ų | 205 | 126.8 Ų | 126.8 | 77% | 0.774 | 72% | 0.719 | S | S | * | * | cis | -167.7 | -174.7 | -1.7 | -141.7 | 169.9 | -162.5 | -165.3 | 2.7 | 111.5 | ||||
| 1681 | T | 28.7 | Very low | 29.3 | Very low | 121 Ų | 121 | 121.6 Ų | 121.6 | 74% | 0.742 | 71% | 0.707 | S | S | * | * | trans | 68 | 142.5 | 151.6 | 45.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1682 | S | 30.4 | Very low | 29.6 | Very low | 87 Ų | 87 | 121.9 Ų | 121.9 | 61% | 0.608 | 71% | 0.713 | S | S | * | * | cis | -175.9 | 142.2 | -14.2 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1683 | E | 29.3 | Very low | 29.7 | Very low | 184 Ų | 184 | 125.9 Ų | 125.9 | 86% | 0.86 | 72% | 0.724 | S | S | * | * | trans | 63.2 | 158.7 | 157.4 | -63.4 | 167 | -166.4 | 0 | 0 | 115.2 | ||||
| 1684 | V | 28.6 | Very low | 29.8 | Very low | 130 Ų | 130 | 121.1 Ų | 121.1 | 79% | 0.788 | 71% | 0.713 | S | S | * | * | cis | -132.9 | 165.2 | 23.9 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1685 | T | 31.1 | Very low | 29.9 | Very low | 123 Ų | 123 | 123.6 Ų | 123.6 | 76% | 0.755 | 72% | 0.721 | S | S | * | * | trans | -74.3 | 178.9 | 179.9 | 43.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1686 | S | 27.3 | Very low | 29.7 | Very low | 118 Ų | 118 | 127.9 Ų | 127.9 | 83% | 0.825 | 73% | 0.733 | S | S | * | * | trans | 85 | 155.5 | 161.6 | 80.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 1687 | A | 31.4 | Very low | 29.2 | Very low | 97 Ų | 97 | 131.7 Ų | 131.7 | 80% | 0.802 | 75% | 0.75 | S | S | * | * | cis | 179.9 | 129.8 | -42.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1688 | A | 29.9 | Very low | 28.8 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 76% | 0.761 | S | S | * | * | trans | -157.4 | 89.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1689 | T | 28.3 | Very low | 28.6 | Very low | 129 Ų | 129 | 131.4 Ų | 131.4 | 79% | 0.791 | 76% | 0.759 | S | S | * | * | 16.3 | 125.6 | 124.9 | 53.3 | 0 | 0 | 0 | 0 | 120 | |||||
| 1690 | L | 27.8 | Very low | 28.2 | Very low | 168 Ų | 168 | 129.4 Ų | 129.4 | 88% | 0.88 | 76% | 0.763 | S | S | * | * | trans | 165.4 | 136 | 131.2 | -87.6 | 158.4 | 0 | 0 | 0 | 106.9 | ||||
| 1691 | S | 27.5 | Very low | 27.9 | Very low | 88 Ų | 88 | 125.3 Ų | 125.3 | 62% | 0.615 | 77% | 0.766 | S | S | * | * | cis | 170.5 | 101.3 | -16 | 44.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 1692 | S | 31.1 | Very low | 27.8 | Very low | 116 Ų | 116 | 130 Ų | 130 | 81% | 0.811 | 77% | 0.772 | S | S | * | * | trans | -174.8 | 111.4 | 164.9 | 4.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 1693 | E | 25.7 | Very low | 27.6 | Very low | 195 Ų | 195 | 137.2 Ų | 137.2 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | cis | 64.9 | 110.3 | 18.6 | -133.8 | -177.5 | -135.9 | 0 | 0 | 113.7 | ||||
| 1694 | G | 26.3 | Very low | 27.5 | Very low | 59 Ų | 59 | 131.6 Ų | 131.6 | 61% | 0.608 | 78% | 0.778 | S | S | * | * | trans | 108.8 | 119.3 | 166.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 1695 | T | 27.1 | Very low | 27.4 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 79% | 0.785 | 78% | 0.78 | S | S | * | * | trans | 67.6 | 154 | 151.3 | 67.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 1696 | Q | 26.9 | Very low | 27.3 | Very low | 158 Ų | 158 | 132.3 Ų | 132.3 | 74% | 0.738 | 78% | 0.775 | S | S | * | * | cis | -152.2 | 138.6 | -22.1 | -109.1 | -178 | 36.5 | 0 | 0 | 107 | ||||
| 1697 | L | 26.5 | Very low | 27.3 | Very low | 138 Ų | 138 | 133.3 Ų | 133.3 | 72% | 0.723 | 77% | 0.771 | S | S | * | * | 49.1 | 123.4 | 97.9 | -83 | 164 | 0 | 0 | 0 | 117 | |||||
| 1698 | T | 25.1 | Very low | 27.1 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 68% | 0.675 | 77% | 0.769 | S | S | * | * | trans | 68.4 | 152 | 153.8 | 63.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1699 | K | 26.2 | Very low | 27.1 | Very low | 203 Ų | 203 | 138.1 Ų | 138.1 | 88% | 0.883 | 77% | 0.766 | S | S | * | * | cis | -167.4 | 152.3 | -11.4 | -106.9 | 165.1 | -175.8 | 177.7 | 0 | 105.5 | ||||
| 1700 | G | 25 | Very low | 27 | Very low | 65 Ų | 65 | 140.7 Ų | 140.7 | 67% | 0.67 | 77% | 0.766 | S | S | * | * | cis | -143.4 | -165 | -11.2 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1701 | S | 26.5 | Very low | 27 | Very low | 119 Ų | 119 | 136.3 Ų | 136.3 | 83% | 0.832 | 75% | 0.754 | S | S | * | * | cis | 67.6 | 70.3 | 11.7 | -62.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 1702 | Y | 25.6 | Very low | 27 | Very low | 221 Ų | 221 | 143 Ų | 143 | 87% | 0.867 | 77% | 0.766 | S | S | * | * | trans | -135.9 | 138.6 | 142.9 | -91.9 | -88.3 | 0 | 0 | 0 | 105.8 | ||||
| 1703 | R | 25.9 | Very low | 26.9 | Very low | 237 Ų | 237 | 143.1 Ų | 143.1 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | cis | 64.5 | 108.3 | 42.6 | -79.3 | -163.6 | 174.7 | -140.7 | 1.7 | 114.1 | ||||
| 1704 | G | 27.4 | Very low | 27.1 | Very low | 67 Ų | 67 | 141 Ų | 141 | 69% | 0.691 | 76% | 0.755 | S | S | * | * | trans | 139.9 | 115.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1705 | L | 27 | Very low | 27.4 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | cis | 68.1 | 128.3 | 42.4 | -66.3 | 160.7 | 0 | 0 | 0 | 114.4 | ||||
| 1706 | T | 29.4 | Very low | 27.8 | Very low | 106 Ų | 106 | 145.5 Ų | 145.5 | 65% | 0.65 | 76% | 0.758 | S | S | * | * | trans | 63.3 | 122.4 | 146.8 | 50.6 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1707 | D | 26.3 | Very low | 28 | Very low | 139 Ų | 139 | 140 Ų | 140 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | 71 | 133.5 | 131.1 | -52.2 | -24.4 | 0 | 0 | 0 | 118.8 | ||||
| 1708 | N | 28.4 | Very low | 28.3 | Very low | 139 Ų | 139 | 140.8 Ų | 140.8 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | 64.6 | 92.3 | 63.7 | -94.2 | -16.8 | 0 | 0 | 0 | 114.2 | |||||
| 1709 | Q | 28.3 | Very low | 28.9 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 72% | 0.724 | 74% | 0.744 | S | S | * | * | trans | 71.2 | 164.1 | 156.5 | -50.9 | -172.1 | 6.5 | 0 | 0 | 118.2 | ||||
| 1710 | F | 26.4 | Very low | 29.5 | Very low | 182 Ų | 182 | 137.8 Ų | 137.8 | 80% | 0.798 | 73% | 0.734 | S | S | * | * | trans | 66.5 | 137.8 | 174.3 | -63 | -81.7 | 0 | 0 | 0 | 117.1 | ||||
| 1711 | A | 27.6 | Very low | 30 | Very low | 76 Ų | 76 | 138.2 Ų | 138.2 | 63% | 0.628 | 72% | 0.724 | S | S | * | * | cis | -151.4 | 137.8 | -11.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1712 | W | 28.4 | Very low | 30.7 | Very low | 229 Ų | 229 | 135.4 Ų | 135.4 | 87% | 0.867 | 71% | 0.708 | S | S | * | * | 84.6 | 144.7 | 99.7 | -85.9 | 56.2 | 0 | 0 | 0 | 118.1 | |||||
| 1713 | V | 28.3 | Very low | 31.6 | Very low | 119 Ų | 119 | 127 Ų | 127 | 72% | 0.721 | 69% | 0.688 | S | S | * | * | trans | 69.5 | 132.5 | 172.5 | -149.6 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 1714 | I | 30.9 | Very low | 32.5 | Very low | 151 Ų | 151 | 119.2 Ų | 119.2 | 77% | 0.774 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 59.1 | 91.8 | -178.1 | -37.3 | -178 | 0 | 0 | 0 | 112.5 | ||
| 1715 | L | 31.9 | Very low | 33.4 | Very low | 123 Ų | 123 | 120.3 Ų | 120.3 | 64% | 0.644 | 66% | 0.656 | S | S | * | * | S | Bend | cis | -146.1 | 34 | 44.9 | -131.5 | 164.5 | 0 | 0 | 0 | 113.7 | G1717 F1718 | L1715-G1717 PolarHBondContact O-N 2.81Å; L1715-F1718 HydrophobicContact CD2-CB 4.35Å; L1715-F1718 HydrophobicContact CD2-CD2 4.14Å |
| 1716 | I | 36.6 | Very low | 34.4 | Very low | 158 Ų | 158 | 115 Ų | 115 | 81% | 0.81 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.9 | 105.1 | 154.8 | -63 | 175.4 | 0 | 0 | 0 | 106.2 | ||
| 1717 | G | 30.7 | Very low | 35.4 | Very low | 41 Ų | 41 | 117 Ų | 117 | 42% | 0.423 | 63% | 0.632 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 166.5 | -22.1 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1715 | L1715-G1717 PolarHBondContact O-N 2.81Š|
| 1718 | F | 33.5 | Very low | 36.6 | Very low | 155 Ų | 155 | 114.8 Ų | 114.8 | 68% | 0.68 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -110.7 | -31.7 | 176.7 | -102.3 | -94.5 | 0 | 0 | 0 | 115 | L1715 L1720 V1721 A1722 | L1715-F1718 HydrophobicContact CD2-CB 4.35Å; L1715-F1718 HydrophobicContact CD2-CD2 4.14Å; F1718-L1720 VanDerWaalsContact C-N 3.35Å; F1718-L1720 PolarHBondContact O-N 3.18Å; F1718-V1721 PolarHBondContact O-N 3.26Å; F1718-A1722 WeakPolarHBondContact O-CB 3.45Å; F1718-A1722 PolarHBondContact O-N 3.45Å |
| 1719 | T | 37.2 | Very low | 37.8 | Very low | 120 Ų | 120 | 112.6 Ų | 112.6 | 74% | 0.736 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -76.2 | -16.1 | 179.6 | 38.7 | 0 | 0 | 0 | 0 | 114.8 | ||
| 1720 | L | 38.3 | Very low | 38.6 | Very low | 130 Ų | 130 | 112 Ų | 112 | 68% | 0.681 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -97.1 | -4 | 169.9 | -91.8 | 164.5 | 0 | 0 | 0 | 114 | F1718 V1724 | F1718-L1720 VanDerWaalsContact C-N 3.35Å; F1718-L1720 PolarHBondContact O-N 3.18Å; L1720-V1724 VanDerWaalsContact O-CG2 3.24Å; L1720-V1724 WeakPolarHBondContact O-CG2 3.25Å |
| 1721 | V | 36.1 | Very low | 39.6 | Very low | 74 Ų | 74 | 110 Ų | 110 | 45% | 0.448 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -101 | -40.9 | 171.7 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | F1718 V1724 I1725 | F1718-V1721 PolarHBondContact O-N 3.26Å; V1721-V1724 PolarHBondContact O-N 2.78Å; V1721-I1725 HydrophobicContact CG1-CD1 3.68Å; V1721-I1725 HydrophobicContact CG1-CG1 4.32Å; V1721-I1725 WeakPolarHBondContact O-CB 3.44Å; V1721-I1725 VanDerWaalsContact O-CG1 3.27Å; V1721-I1725 WeakPolarHBondContact O-CG1 3.41Å; V1721-I1725 PolarHBondContact O-N 3.09Å |
| 1722 | A | 41.6 | Very low | 40.4 | Very low | 61 Ų | 61 | 111.3 Ų | 111.3 | 50% | 0.504 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.2 | -43.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | F1718 I1725 A1726 | F1718-A1722 WeakPolarHBondContact O-CB 3.45Å; F1718-A1722 PolarHBondContact O-N 3.45Å; A1722-I1725 PolarHBondContact O-N 2.8Å; A1722-A1726 WeakPolarHBondContact O-CB 3.39Å; A1722-A1726 PolarHBondContact O-N 2.6Å |
| 1723 | G | 43.2 | Very low | 41.4 | Very low | 43 Ų | 43 | 106.7 Ų | 106.7 | 44% | 0.443 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.7 | -39.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A1726 Y1727 | G1723-A1726 PolarHBondContact O-N 3.44Å; G1723-Y1727 WeakPolarHBondContact O-CB 3.22Å; G1723-Y1727 PolarHBondContact O-N 3.09Å |
| 1724 | V | 45.6 | Very low | 41.9 | Very low | 74 Ų | 74 | 105.2 Ų | 105.2 | 45% | 0.448 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -72 | -35.2 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 111.4 | L1720 V1721 I1728 | L1720-V1724 VanDerWaalsContact O-CG2 3.24Å; L1720-V1724 WeakPolarHBondContact O-CG2 3.25Å; V1721-V1724 PolarHBondContact O-N 2.78Å; V1724-I1728 HydrophobicContact CG1-CD1 3.79Å; V1724-I1728 HydrophobicContact CG1-CG1 4.43Å; V1724-I1728 WeakPolarHBondContact O-CB 3.46Å; V1724-I1728 WeakPolarHBondContact O-CG1 3.43Å; V1724-I1728 PolarHBondContact O-N 2.82Å |
| 1725 | I | 46 | Very low | 42 | Very low | 91 Ų | 91 | 100.4 Ų | 100.4 | 47% | 0.467 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.7 | -39.8 | 172.3 | -72.1 | 174.6 | 0 | 0 | 0 | 111.1 | V1721 A1722 I1728 I1729 | V1721-I1725 HydrophobicContact CG1-CD1 3.68Å; V1721-I1725 HydrophobicContact CG1-CG1 4.32Å; V1721-I1725 WeakPolarHBondContact O-CB 3.44Å; V1721-I1725 VanDerWaalsContact O-CG1 3.27Å; V1721-I1725 WeakPolarHBondContact O-CG1 3.41Å; V1721-I1725 PolarHBondContact O-N 3.09Å; A1722-I1725 PolarHBondContact O-N 2.8Å; I1725-I1728 PolarHBondContact O-N 3.17Å; I1725-I1729 HydrophobicContact CG2-CD1 3.65Å; I1725-I1729 HydrophobicContact CG2-CG1 4.34Å; I1725-I1729 WeakPolarHBondContact O-CB 3.33Å; I1725-I1729 WeakPolarHBondContact O-CG1 3.4Å; I1725-I1729 PolarHBondContact O-N 2.74Å |
| 1726 | A | 47.4 | Very low | 42 | Very low | 50 Ų | 50 | 105.7 Ų | 105.7 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61 | -49.6 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | A1722 G1723 I1728 I1729 E1730 | A1722-A1726 WeakPolarHBondContact O-CB 3.39Å; A1722-A1726 PolarHBondContact O-N 2.6Å; G1723-A1726 PolarHBondContact O-N 3.44Å; A1726-I1728 VanDerWaalsContact C-N 3.32Å; A1726-I1728 PolarHBondContact O-N 3.4Å; A1726-I1729 PolarHBondContact O-N 2.73Å; A1726-I1729 VanDerWaalsContact O-N 3.08Å; A1726-E1730 PolarHBondContact O-N 3.37Å |
| 1727 | Y | 50.4 | Low | 42.2 | Very low | 148 Ų | 148 | 103.1 Ų | 103.1 | 58% | 0.58 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -59.7 | -39.1 | 177.5 | -173.4 | -100 | 0 | 0 | 0 | 113 | G1723 K1731 | G1723-Y1727 WeakPolarHBondContact O-CB 3.22Å; G1723-Y1727 PolarHBondContact O-N 3.09Å; Y1727-K1731 HydrophobicContact CE1-CG 4.35Å; Y1727-K1731 WeakPolarHBondContact O-CB 3.25Å; Y1727-K1731 WeakPolarHBondContact O-CG 3.45Å; Y1727-K1731 PolarHBondContact O-N 2.86Å |
| 1728 | I | 52 | Low | 42.8 | Very low | 91 Ų | 91 | 106.3 Ų | 106.3 | 47% | 0.467 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -70 | -38.5 | 174.2 | -71.4 | 169.8 | 0 | 0 | 0 | 111.2 | V1724 I1725 A1726 K1731 V1732 | V1724-I1728 HydrophobicContact CG1-CD1 3.79Å; V1724-I1728 HydrophobicContact CG1-CG1 4.43Å; V1724-I1728 WeakPolarHBondContact O-CB 3.46Å; V1724-I1728 WeakPolarHBondContact O-CG1 3.43Å; V1724-I1728 PolarHBondContact O-N 2.82Å; I1725-I1728 PolarHBondContact O-N 3.17Å; A1726-I1728 VanDerWaalsContact C-N 3.32Å; A1726-I1728 PolarHBondContact O-N 3.4Å; I1728-K1731 PolarHBondContact O-N 3.04Å; I1728-V1732 HydrophobicContact CG2-CG2 4.03Å; I1728-V1732 VanDerWaalsContact O-CB 3.23Å; I1728-V1732 WeakPolarHBondContact O-CB 3.02Å; I1728-V1732 WeakPolarHBondContact O-CG2 3.16Å; I1728-V1732 PolarHBondContact O-N 3.21Å |
| 1729 | I | 54.4 | Low | 43.4 | Very low | 94 Ų | 94 | 103.6 Ų | 103.6 | 48% | 0.482 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -64.8 | -44.7 | 177.5 | -74.9 | 169.5 | 0 | 0 | 0 | 110.9 | I1725 A1726 V1732 I1733 | I1725-I1729 HydrophobicContact CG2-CD1 3.65Å; I1725-I1729 HydrophobicContact CG2-CG1 4.34Å; I1725-I1729 WeakPolarHBondContact O-CB 3.33Å; I1725-I1729 WeakPolarHBondContact O-CG1 3.4Å; I1725-I1729 PolarHBondContact O-N 2.74Å; A1726-I1729 PolarHBondContact O-N 2.73Å; A1726-I1729 VanDerWaalsContact O-N 3.08Å; I1729-V1732 PolarHBondContact O-N 3.39Å; I1729-I1733 HydrophobicContact CG2-CD1 3.7Å; I1729-I1733 WeakPolarHBondContact O-CB 3.09Å; I1729-I1733 VanDerWaalsContact O-CG1 3.28Å; I1729-I1733 WeakPolarHBondContact O-CG1 3.47Å; I1729-I1733 PolarHBondContact O-N 3.28Å |
| 1730 | E | 44.4 | Very low | 43.7 | Very low | 142 Ų | 142 | 102.6 Ų | 102.6 | 66% | 0.664 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -62.4 | -46.2 | 173.8 | -71.4 | -170.4 | 107.6 | 0 | 0 | 112.2 | A1726 V1732 I1733 A1734 | A1726-E1730 PolarHBondContact O-N 3.37Å; E1730-V1732 VanDerWaalsContact C-N 3.32Å; E1730-V1732 PolarHBondContact O-N 3.43Å; E1730-I1733 PolarHBondContact O-N 2.93Å; E1730-A1734 WeakPolarHBondContact O-CB 3.49Å; E1730-A1734 PolarHBondContact O-N 2.71Å |
| 1731 | K | 47.3 | Very low | 44.1 | Very low | 141 Ų | 141 | 100.9 Ų | 100.9 | 61% | 0.613 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -70.5 | -21.7 | -179.9 | -77.5 | -70.2 | -177 | -175.9 | 0 | 114.6 | Y1727 I1728 | Y1727-K1731 HydrophobicContact CE1-CG 4.35Å; Y1727-K1731 WeakPolarHBondContact O-CB 3.25Å; Y1727-K1731 WeakPolarHBondContact O-CG 3.45Å; Y1727-K1731 PolarHBondContact O-N 2.86Å; I1728-K1731 PolarHBondContact O-N 3.04Å |
| 1732 | V | 44.6 | Very low | 44.6 | Very low | 102 Ų | 102 | 102.7 Ų | 102.7 | 62% | 0.618 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -89.3 | -29.9 | 175.2 | 170.8 | 0 | 0 | 0 | 0 | 111.9 | I1728 I1729 E1730 | I1728-V1732 HydrophobicContact CG2-CG2 4.03Å; I1728-V1732 VanDerWaalsContact O-CB 3.23Å; I1728-V1732 WeakPolarHBondContact O-CB 3.02Å; I1728-V1732 WeakPolarHBondContact O-CG2 3.16Å; I1728-V1732 PolarHBondContact O-N 3.21Å; I1729-V1732 PolarHBondContact O-N 3.39Å; E1730-V1732 VanDerWaalsContact C-N 3.32Å; E1730-V1732 PolarHBondContact O-N 3.43Å |
| 1733 | I | 48.4 | Very low | 44.8 | Very low | 132 Ų | 132 | 105.7 Ų | 105.7 | 68% | 0.677 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76 | -29.9 | 173.9 | -68.8 | 172.9 | 0 | 0 | 0 | 111.4 | I1729 E1730 G1735 | I1729-I1733 HydrophobicContact CG2-CD1 3.7Å; I1729-I1733 WeakPolarHBondContact O-CB 3.09Å; I1729-I1733 VanDerWaalsContact O-CG1 3.28Å; I1729-I1733 WeakPolarHBondContact O-CG1 3.47Å; I1729-I1733 PolarHBondContact O-N 3.28Å; E1730-I1733 PolarHBondContact O-N 2.93Å; I1733-G1735 PolarHBondContact O-N 3.5Å |
| 1734 | A | 39.9 | Very low | 44.9 | Very low | 89 Ų | 89 | 110.5 Ų | 110.5 | 74% | 0.736 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 30.3 | 171 | 0 | 0 | 0 | 0 | 0 | 114.1 | E1730 | E1730-A1734 WeakPolarHBondContact O-CB 3.49Å; E1730-A1734 PolarHBondContact O-N 2.71Å |
| 1735 | G | 32.9 | Very low | 44.9 | Very low | 50 Ų | 50 | 113.6 Ų | 113.6 | 52% | 0.515 | 62% | 0.623 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -149.3 | 13 | -160.7 | 0 | 0 | 0 | 0 | 0 | 118.5 | I1733 | I1733-G1735 PolarHBondContact O-N 3.5Š|
| 1736 | N | 31.2 | Very low | 44.8 | Very low | 233 Ų | 233 | 115.6 Ų | 115.6 | 100% | 1.246 | 64% | 0.637 | S | S | * | * | trans | -162.4 | 0 | 163.7 | -101.4 | -45.1 | 0 | 0 | 0 | 111.4 |
Retrieved 1,736 of 1,736 residues in 623.8 ms
(Link to these results)