| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.2 | Very low | 36.4 | Very low | 234 Ų | 234 | 160.9 Ų | 160.9 | 100% | 1.153 | 83% | 0.831 | S | S | * | * | 0 | 102.5 | 0 | -73.3 | -65.2 | -161.4 | 0 | 0 | 107 | |||||
| 2 | D | 32.9 | Very low | 36 | Very low | 173 Ų | 173 | 162.8 Ų | 162.8 | 93% | 0.925 | 84% | 0.842 | S | S | * | * | trans | -166.8 | 116.5 | 169.5 | -110.5 | -42.2 | 0 | 0 | 0 | 115.2 | ||||
| 3 | R | 38.7 | Very low | 35.7 | Very low | 221 Ų | 221 | 164.5 Ų | 164.5 | 83% | 0.834 | 84% | 0.839 | S | S | * | * | trans | 163.2 | 145.6 | 162.2 | -103.1 | 179.4 | 174.2 | -172.9 | -1.5 | 107.3 | ||||
| 4 | P | 54.2 | Low | 35.4 | Very low | 112 Ų | 112 | 165.6 Ų | 165.6 | 73% | 0.727 | 85% | 0.847 | S | S | * | * | -141 | 136.6 | 58.9 | 35.3 | -14.6 | 0 | 0 | 0 | 116 | |||||
| 5 | I | 37.2 | Very low | 35.3 | Very low | 139 Ų | 139 | 161.7 Ų | 161.7 | 71% | 0.713 | 83% | 0.834 | S | S | * | * | 85.8 | 133.8 | 96.8 | -65.9 | 167.7 | 0 | 0 | 0 | 116.9 | |||||
| 6 | S | 34.3 | Very low | 35.2 | Very low | 92 Ų | 92 | 160.5 Ų | 160.5 | 64% | 0.643 | 83% | 0.829 | S | S | * | * | trans | 97.4 | 136.1 | 149.4 | -94.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 7 | K | 32.5 | Very low | 35.1 | Very low | 190 Ų | 190 | 156.5 Ų | 156.5 | 83% | 0.826 | 83% | 0.825 | S | S | * | * | trans | 70.3 | 130.6 | 150.9 | -67.4 | 166.2 | -173 | 178.7 | 0 | 116.2 | ||||
| 8 | L | 33.6 | Very low | 34.9 | Very low | 167 Ų | 167 | 152.1 Ų | 152.1 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | cis | -153.6 | 157.3 | 27.6 | -117.8 | 157.2 | 0 | 0 | 0 | 112.5 | ||||
| 9 | L | 38 | Very low | 34.7 | Very low | 171 Ų | 171 | 149.9 Ų | 149.9 | 90% | 0.895 | 82% | 0.821 | S | S | * | * | trans | -86.7 | 158.3 | 166.4 | -94.8 | 163.3 | 0 | 0 | 0 | 111.6 | ||||
| 10 | G | 31.6 | Very low | 34.8 | Very low | 63 Ų | 63 | 148.8 Ų | 148.8 | 65% | 0.649 | 82% | 0.819 | S | S | * | * | trans | 118.6 | 98.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 11 | K | 33.2 | Very low | 34.6 | Very low | 208 Ų | 208 | 151 Ų | 151 | 90% | 0.904 | 82% | 0.82 | S | S | * | * | trans | 168.2 | 89.4 | 137.3 | -90 | 152.6 | -168.3 | 172.1 | 0 | 111.1 | ||||
| 12 | L | 31.5 | Very low | 34.4 | Very low | 184 Ų | 184 | 149.6 Ų | 149.6 | 96% | 0.963 | 81% | 0.808 | S | S | * | * | trans | -120.1 | 113.1 | 149.7 | -95.2 | 166.4 | 0 | 0 | 0 | 105.9 | ||||
| 13 | K | 32.5 | Very low | 34.1 | Very low | 185 Ų | 185 | 148.5 Ų | 148.5 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -125.2 | 98.4 | -171.4 | -171.3 | 172.4 | -176.1 | 175.6 | 0 | 109 | T15 | K13-T15 PolarHBondContact O-N 3.4Š| ||
| 14 | L | 31.6 | Very low | 33.7 | Very low | 180 Ų | 180 | 143.4 Ų | 143.4 | 94% | 0.942 | 80% | 0.8 | S | S | * | * | trans | -74.5 | 109.2 | 171 | -79.3 | 162.8 | 0 | 0 | 0 | 109.2 | ||||
| 15 | T | 34.4 | Very low | 32.6 | Very low | 107 Ų | 107 | 143.2 Ų | 143.2 | 66% | 0.656 | 80% | 0.802 | S | S | * | * | trans | -89.4 | 153.1 | 153 | 51.8 | 0 | 0 | 0 | 0 | 107.8 | K13 | K13-T15 PolarHBondContact O-N 3.4Š| ||
| 16 | D | 32.5 | Very low | 32.2 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | cis | -148 | 152.7 | 15.7 | -159.2 | -85.4 | 0 | 0 | 0 | 111.1 | ||||
| 17 | A | 33.3 | Very low | 32 | Very low | 92 Ų | 92 | 151.6 Ų | 151.6 | 76% | 0.76 | 82% | 0.821 | S | S | * | * | trans | -151.6 | 120.8 | 165.9 | 0 | 0 | 0 | 0 | 0 | 109 | S19 | A17-S19 PolarHBondContact O-N 2.96Š| ||
| 18 | G | 31.9 | Very low | 31.9 | Very low | 77 Ų | 77 | 150 Ų | 150 | 79% | 0.794 | 82% | 0.815 | S | S | * | * | trans | -68.9 | 116 | -166.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 19 | S | 30.4 | Very low | 31.8 | Very low | 111 Ų | 111 | 150 Ų | 150 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -98.8 | 113.9 | 169.3 | -175.8 | 0 | 0 | 0 | 0 | 110.6 | A17 | A17-S19 PolarHBondContact O-N 2.96Š| ||
| 20 | V | 37.8 | Very low | 31.3 | Very low | 127 Ų | 127 | 147.4 Ų | 147.4 | 77% | 0.77 | 80% | 0.796 | S | S | * | * | trans | -81.6 | 121.8 | 179.9 | -178.5 | 0 | 0 | 0 | 0 | 110 | F22 | V20-F22 PolarHBondContact O-N 3.27Š| ||
| 21 | K | 30.7 | Very low | 31.2 | Very low | 196 Ų | 196 | 149.3 Ų | 149.3 | 85% | 0.852 | 80% | 0.8 | S | S | * | * | trans | -82.1 | 115.6 | -177.6 | -66.6 | 175.9 | -179.1 | 173.7 | 0 | 111.5 | ||||
| 22 | F | 29 | Very low | 31 | Very low | 205 Ų | 205 | 145.8 Ų | 145.8 | 90% | 0.899 | 80% | 0.796 | S | S | * | * | trans | -71.8 | 131.4 | 163.6 | -86.5 | -91.2 | 0 | 0 | 0 | 110.9 | V20 | V20-F22 PolarHBondContact O-N 3.27Š| ||
| 23 | N | 28.2 | Very low | 30.8 | Very low | 150 Ų | 150 | 142.3 Ų | 142.3 | 80% | 0.802 | 79% | 0.787 | S | S | * | * | trans | -94.6 | 119.5 | 178 | -176.2 | 25.6 | 0 | 0 | 0 | 109.9 | ||||
| 24 | S | 29.7 | Very low | 30.6 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -121.4 | 107 | -180 | -169.3 | 0 | 0 | 0 | 0 | 111.3 | K26 | S24-K26 PolarHBondContact O-N 3.31Å; S24-K26 VanDerWaalsContact O-N 3.12Å | ||
| 25 | S | 30.4 | Very low | 30.6 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 76% | 0.755 | 77% | 0.772 | S | S | * | * | trans | -73.8 | 98.8 | -173.5 | -65.4 | 0 | 0 | 0 | 0 | 112.3 | K27 | S25-K27 PolarHBondContact O-N 3.03Š| ||
| 26 | K | 30 | Very low | 30.4 | Very low | 208 Ų | 208 | 139.2 Ų | 139.2 | 90% | 0.904 | 78% | 0.784 | S | S | * | * | trans | -71.2 | 90.6 | 178.9 | -170.1 | 165 | -175.7 | 167.9 | 0 | 112.3 | S24 K28 | S24-K26 PolarHBondContact O-N 3.31Å; S24-K26 VanDerWaalsContact O-N 3.12Å; K26-K28 PolarHBondContact O-N 2.78Å | ||
| 27 | K | 28.9 | Very low | 30.4 | Very low | 199 Ų | 199 | 139 Ų | 139 | 87% | 0.865 | 78% | 0.783 | S | S | * | * | trans | -70.7 | 118 | 175 | -169.6 | 174.4 | -178 | -179.4 | 0 | 110.8 | S25 | S25-K27 PolarHBondContact O-N 3.03Š| ||
| 28 | K | 31 | Very low | 30.4 | Very low | 157 Ų | 157 | 140.6 Ų | 140.6 | 68% | 0.683 | 79% | 0.788 | S | S | * | * | trans | -66.8 | 150.2 | 168.4 | -93.9 | -173.2 | 149.9 | -131.4 | 0 | 111.3 | K26 D30 | K26-K28 PolarHBondContact O-N 2.78Å; K28-D30 IonicContact NZ-OD1 3.63Å; K28-D30 IonicContact NZ-OD2 2.79Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å | ||
| 29 | H | 30.3 | Very low | 30.4 | Very low | 167 Ų | 167 | 143.5 Ų | 143.5 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | trans | -140.8 | 120.4 | 148.2 | -156.4 | -88.7 | 0 | 0 | 0 | 108.6 | S31 | H29-S31 PolarHBondContact CE1-OG 3.04Å; H29-S31 PolarHBondContact ND1-OG 3.47Å; H29-S31 VanDerWaalsContact ND1-OG 3.16Å | ||
| 30 | D | 29 | Very low | 30.4 | Very low | 115 Ų | 115 | 143 Ų | 143 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | trans | -93 | 139.7 | 172.7 | -74.9 | -82.3 | 0 | 0 | 0 | 108.3 | K28 | K28-D30 IonicContact NZ-OD1 3.63Å; K28-D30 IonicContact NZ-OD2 2.79Å; K28-D30 PolarHBondContact NZ-OD2 3.07Å | ||
| 31 | S | 28.8 | Very low | 30.2 | Very low | 103 Ų | 103 | 143.2 Ų | 143.2 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -155.8 | 109.1 | 174.8 | -68.4 | 0 | 0 | 0 | 0 | 111.1 | H29 | H29-S31 PolarHBondContact CE1-OG 3.04Å; H29-S31 PolarHBondContact ND1-OG 3.47Å; H29-S31 VanDerWaalsContact ND1-OG 3.16Å | ||
| 32 | T | 29.1 | Very low | 30.4 | Very low | 135 Ų | 135 | 140.4 Ų | 140.4 | 83% | 0.828 | 78% | 0.778 | S | S | * | * | trans | -95.4 | 136.1 | 179.3 | -43.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 33 | S | 27.9 | Very low | 30.6 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | 167.7 | 126.4 | 127.4 | -77.9 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 34 | N | 27.6 | Very low | 30.7 | Very low | 141 Ų | 141 | 132.7 Ų | 132.7 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 57.2 | 117.2 | 133.9 | -155 | 25.6 | 0 | 0 | 0 | 122.8 | ||||
| 35 | S | 32.4 | Very low | 30.7 | Very low | 95 Ų | 95 | 132 Ų | 132 | 66% | 0.664 | 78% | 0.775 | S | S | * | * | trans | -14.5 | 147.7 | 144.8 | -4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 36 | N | 29.6 | Very low | 30.7 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 91% | 0.914 | 78% | 0.781 | S | S | * | * | trans | -147.5 | 156.4 | 134 | -117.9 | -29.9 | 0 | 0 | 0 | 111.6 | ||||
| 37 | N | 31.5 | Very low | 30.9 | Very low | 137 Ų | 137 | 127.5 Ų | 127.5 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | -121.8 | 145.7 | -168.2 | 179.7 | 16.2 | 0 | 0 | 0 | 111.2 | ||||
| 38 | S | 34.3 | Very low | 31.9 | Very low | 125 Ų | 125 | 124 Ų | 124 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -147.9 | 140 | 165.2 | -78.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 39 | N | 32.2 | Very low | 31.9 | Very low | 138 Ų | 138 | 119.7 Ų | 119.7 | 74% | 0.738 | 77% | 0.774 | S | S | * | * | trans | -133.8 | 142.1 | -161.1 | 176.8 | 22.7 | 0 | 0 | 0 | 111.8 | ||||
| 40 | A | 29.9 | Very low | 32 | Very low | 100 Ų | 100 | 117.7 Ų | 117.7 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -146.2 | 86.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 41 | N | 33.9 | Very low | 32.1 | Very low | 132 Ų | 132 | 116.9 Ų | 116.9 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -59.4 | 163.8 | 172.1 | -142.6 | 11.8 | 0 | 0 | 0 | 110.9 | ||||
| 42 | I | 35.6 | Very low | 32.3 | Very low | 138 Ų | 138 | 117 Ų | 117 | 71% | 0.708 | 80% | 0.795 | S | S | * | * | cis | -153.6 | 169.4 | 25.6 | -32 | 157.8 | 0 | 0 | 0 | 111.3 | ||||
| 43 | S | 32.2 | Very low | 32.4 | Very low | 112 Ų | 112 | 115.7 Ų | 115.7 | 78% | 0.783 | 80% | 0.797 | S | S | * | * | trans | 90.6 | 137.7 | 150.8 | -54.1 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 44 | G | 30.2 | Very low | 32.5 | Very low | 81 Ų | 81 | 115.9 Ų | 115.9 | 84% | 0.835 | 80% | 0.799 | S | S | * | * | cis | 127.3 | 90 | -21.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 45 | A | 30 | Very low | 33.4 | Very low | 98 Ų | 98 | 114.9 Ų | 114.9 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | -155.2 | 121 | 160 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 46 | S | 30.7 | Very low | 33.4 | Very low | 127 Ų | 127 | 115.8 Ų | 115.8 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | 44.6 | 134.4 | 149.6 | -53.7 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 47 | A | 33.2 | Very low | 33.5 | Very low | 95 Ų | 95 | 118.3 Ų | 118.3 | 79% | 0.785 | 80% | 0.803 | S | S | * | * | trans | -109.2 | -161.7 | 163.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 48 | P | 50.5 | Low | 34.2 | Very low | 125 Ų | 125 | 117.5 Ų | 117.5 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | cis | -142.5 | 170.7 | -1 | 43.4 | -24.7 | 0 | 0 | 0 | 118.3 | ||||
| 49 | G | 30.8 | Very low | 34 | Very low | 68 Ų | 68 | 115.1 Ų | 115.1 | 70% | 0.701 | 79% | 0.793 | S | S | * | * | 78.3 | 123.1 | 122.2 | 0 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 50 | S | 33.8 | Very low | 33.9 | Very low | 124 Ų | 124 | 117 Ų | 117 | 87% | 0.867 | 80% | 0.798 | S | S | * | * | 98 | 121.3 | 128.7 | -56.6 | 0 | 0 | 0 | 0 | 124 | |||||
| 51 | A | 30.9 | Very low | 33.8 | Very low | 98 Ų | 98 | 121.8 Ų | 121.8 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | trans | 68.9 | 107.4 | 131.7 | 0 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 52 | A | 31.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 120.5 Ų | 120.5 | 88% | 0.884 | 80% | 0.801 | S | S | * | * | trans | 23 | 133.6 | 133.6 | 0 | 0 | 0 | 0 | 0 | 125 | ||||
| 53 | A | 31 | Very low | 33.3 | Very low | 106 Ų | 106 | 121.1 Ų | 121.1 | 88% | 0.876 | 81% | 0.811 | S | S | * | * | trans | -169.4 | 162.3 | 139.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 54 | S | 30.5 | Very low | 33.3 | Very low | 115 Ų | 115 | 121 Ų | 121 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -96.5 | 170.8 | 176.6 | -47 | 0 | 0 | 0 | 0 | 113 | ||||
| 55 | P | 47.4 | Very low | 33.3 | Very low | 120 Ų | 120 | 120.6 Ų | 120.6 | 78% | 0.779 | 81% | 0.813 | S | S | * | * | -159.2 | 159.6 | 100 | 40.1 | -20.1 | 0 | 0 | 0 | 120.4 | |||||
| 56 | S | 32.5 | Very low | 33.2 | Very low | 114 Ų | 114 | 123.2 Ų | 123.2 | 80% | 0.797 | 81% | 0.814 | S | S | * | * | trans | 44.3 | 114.4 | 136.9 | -54.7 | 0 | 0 | 0 | 0 | 127.1 | ||||
| 57 | R | 31.7 | Very low | 33.2 | Very low | 225 Ų | 225 | 121.6 Ų | 121.6 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | 37.6 | 137.8 | 112.7 | -132.8 | -175.2 | 179.9 | -156 | 0.2 | 122.7 | |||||
| 58 | P | 44.6 | Very low | 32.9 | Very low | 119 Ų | 119 | 120.6 Ų | 120.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | -127.9 | 170.3 | 96.5 | 9.6 | 13.4 | 0 | 0 | 0 | 112.3 | |||||
| 59 | A | 30.3 | Very low | 32.2 | Very low | 75 Ų | 75 | 121.4 Ų | 121.4 | 62% | 0.62 | 81% | 0.809 | S | S | * | * | cis | 70.7 | 136.3 | 44.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 60 | Q | 30.6 | Very low | 32.9 | Very low | 179 Ų | 179 | 124 Ų | 124 | 84% | 0.836 | 81% | 0.814 | S | S | * | * | cis | -167.4 | 150.8 | -4.4 | -128.9 | -178.1 | 5.9 | 0 | 0 | 108.8 | ||||
| 61 | F | 27.2 | Very low | 32.7 | Very low | 200 Ų | 200 | 122.4 Ų | 122.4 | 88% | 0.877 | 81% | 0.808 | S | S | * | * | trans | 172 | 164.4 | 136.2 | -115.9 | -91.1 | 0 | 0 | 0 | 113.7 | ||||
| 62 | S | 30.9 | Very low | 32.9 | Very low | 104 Ų | 104 | 123.7 Ų | 123.7 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -141.3 | 154.5 | -178.1 | -50.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 63 | T | 29.8 | Very low | 33.3 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 93% | 0.926 | 80% | 0.803 | S | S | * | * | trans | -144.6 | 166.5 | 160.3 | 34.9 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 64 | A | 32.1 | Very low | 33.3 | Very low | 111 Ų | 111 | 124.7 Ų | 124.7 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -145.6 | 172.5 | -158 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 65 | G | 29 | Very low | 33.3 | Very low | 71 Ų | 71 | 124.3 Ų | 124.3 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 115.4 | 151.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 66 | D | 28.3 | Very low | 32.4 | Very low | 154 Ų | 154 | 123.7 Ų | 123.7 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | cis | -162.2 | 155 | -19.7 | -165.3 | -106.5 | 0 | 0 | 0 | 109.9 | ||||
| 67 | A | 30.9 | Very low | 32.2 | Very low | 93 Ų | 93 | 123.9 Ų | 123.9 | 77% | 0.769 | 79% | 0.789 | S | S | * | * | trans | 52.7 | 150.7 | 171.2 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 68 | G | 27.4 | Very low | 32 | Very low | 74 Ų | 74 | 121.5 Ų | 121.5 | 76% | 0.763 | 79% | 0.792 | S | S | * | * | cis | -172.3 | 165.2 | -4.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 69 | V | 35.5 | Very low | 31.1 | Very low | 141 Ų | 141 | 119 Ų | 119 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | trans | -111.4 | 146 | 177.3 | -150 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 70 | P | 45.3 | Very low | 31.1 | Very low | 124 Ų | 124 | 119.8 Ų | 119.8 | 81% | 0.805 | 80% | 0.795 | S | S | * | * | -145.2 | 176.3 | 105.9 | 34.1 | -17.3 | 0 | 0 | 0 | 112.3 | |||||
| 71 | A | 29.1 | Very low | 30.9 | Very low | 89 Ų | 89 | 119 Ų | 119 | 74% | 0.736 | 80% | 0.796 | S | S | * | * | cis | -166.8 | 159.8 | -33.6 | 0 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 72 | T | 34.6 | Very low | 30.9 | Very low | 126 Ų | 126 | 112.7 Ų | 112.7 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -84 | 166.9 | 166 | 51 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 73 | P | 41.3 | Very low | 30.6 | Very low | 128 Ų | 128 | 116.9 Ų | 116.9 | 83% | 0.831 | 80% | 0.796 | S | S | * | * | -131.4 | 166 | 123.9 | 37.5 | -30.7 | 0 | 0 | 0 | 113.9 | |||||
| 74 | S | 30.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 118.4 Ų | 118.4 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -113.8 | -179.4 | -177.7 | -48.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 75 | S | 29.6 | Very low | 31.1 | Very low | 108 Ų | 108 | 118 Ų | 118 | 76% | 0.755 | 78% | 0.781 | S | S | * | * | trans | 114.4 | 124.1 | 165.5 | -49.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 76 | S | 28.9 | Very low | 30.9 | Very low | 106 Ų | 106 | 122.4 Ų | 122.4 | 74% | 0.741 | 79% | 0.786 | S | S | * | * | 76.9 | 143.9 | 80.7 | -47.5 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 77 | T | 28 | Very low | 31.2 | Very low | 118 Ų | 118 | 123.3 Ų | 123.3 | 72% | 0.724 | 79% | 0.785 | S | S | * | * | cis | -169.1 | 157.3 | 10.5 | -3.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 78 | L | 28.1 | Very low | 31.7 | Very low | 175 Ų | 175 | 124.1 Ų | 124.1 | 92% | 0.916 | 78% | 0.782 | S | S | * | * | trans | 64.6 | 154.5 | 158 | -57.8 | 162.6 | 0 | 0 | 0 | 118.3 | ||||
| 79 | G | 26.1 | Very low | 31.7 | Very low | 67 Ų | 67 | 125.4 Ų | 125.4 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | 167.4 | 155.9 | -11.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 80 | A | 29.2 | Very low | 31.3 | Very low | 92 Ų | 92 | 124.6 Ų | 124.6 | 76% | 0.76 | 78% | 0.776 | S | S | * | * | trans | 63.6 | 162.7 | 167 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 81 | D | 27.7 | Very low | 30.5 | Very low | 162 Ų | 162 | 126.1 Ų | 126.1 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | cis | -157.1 | 161 | 2.4 | -128.4 | -35.5 | 0 | 0 | 0 | 112.7 | ||||
| 82 | G | 26.5 | Very low | 30.3 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 71.5 | 148.5 | 165.3 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 83 | E | 25.2 | Very low | 30 | Very low | 193 Ų | 193 | 128.2 Ų | 128.2 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | cis | -147.2 | 160.4 | -8.2 | -76.6 | -168.1 | 85.7 | 0 | 0 | 111.8 | ||||
| 84 | Q | 27.7 | Very low | 29.3 | Very low | 182 Ų | 182 | 129.6 Ų | 129.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -134.7 | 170.3 | 163.4 | -75.8 | -163.3 | -56.5 | 0 | 0 | 107.2 | ||||
| 85 | P | 43.6 | Very low | 29.1 | Very low | 104 Ų | 104 | 135.9 Ų | 135.9 | 68% | 0.675 | 78% | 0.784 | S | S | * | * | cis | -137.4 | -172 | 10.5 | 33.1 | -9.7 | 0 | 0 | 0 | 114.9 | ||||
| 86 | L | 25.9 | Very low | 29.2 | Very low | 162 Ų | 162 | 141.8 Ų | 141.8 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | 160.8 | 136.3 | 119.9 | -82.9 | 171.6 | 0 | 0 | 0 | 114.2 | |||||
| 87 | H | 33.4 | Very low | 29.7 | Very low | 174 Ų | 174 | 143 Ų | 143 | 81% | 0.806 | 80% | 0.795 | S | S | * | * | trans | -100.7 | 173.1 | 158 | -105.7 | -116.3 | 0 | 0 | 0 | 107.8 | ||||
| 88 | P | 40.9 | Very low | 29.7 | Very low | 109 Ų | 109 | 142.1 Ų | 142.1 | 71% | 0.708 | 79% | 0.794 | S | S | * | * | cis | -145.2 | 171.5 | 23 | 43.1 | -23.4 | 0 | 0 | 0 | 118.8 | ||||
| 89 | S | 27.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 138.5 Ų | 138.5 | 71% | 0.713 | 78% | 0.783 | S | S | * | * | trans | 47.3 | 147.1 | 138.9 | -57.4 | 0 | 0 | 0 | 0 | 125.8 | ||||
| 90 | T | 27.2 | Very low | 30 | Very low | 124 Ų | 124 | 142.8 Ų | 142.8 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | 110.6 | 142 | 137.3 | -19.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 91 | L | 29.5 | Very low | 30 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 82% | 0.817 | 78% | 0.781 | S | S | * | * | trans | 72.3 | 117.2 | 170.1 | -55.4 | -177.4 | 0 | 0 | 0 | 116.2 | ||||
| 92 | A | 25.3 | Very low | 30 | Very low | 87 Ų | 87 | 148.2 Ų | 148.2 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | 80.6 | 146 | 81.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 93 | Q | 28.7 | Very low | 30 | Very low | 171 Ų | 171 | 149.3 Ų | 149.3 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -141.4 | 140.7 | 32.9 | -67.5 | -178.6 | 40.5 | 0 | 0 | 111 | ||||
| 94 | L | 24.8 | Very low | 30.2 | Very low | 157 Ų | 157 | 145.1 Ų | 145.1 | 82% | 0.822 | 78% | 0.775 | S | S | * | * | 46.7 | 99 | 88 | -69.3 | 169.5 | 0 | 0 | 0 | 116.6 | |||||
| 95 | R | 27.4 | Very low | 30.4 | Very low | 238 Ų | 238 | 142.8 Ų | 142.8 | 90% | 0.898 | 78% | 0.777 | S | S | * | * | -178.9 | 135.4 | 106.6 | -102 | 178.6 | 176.7 | 131.2 | -1.3 | 116.2 | |||||
| 96 | R | 32.6 | Very low | 29.7 | Very low | 232 Ų | 232 | 147.7 Ų | 147.7 | 88% | 0.875 | 78% | 0.783 | S | S | * | * | trans | -81.8 | 167.7 | 144.5 | -84.5 | -178.1 | 179.5 | -178.9 | 0.4 | 107.9 | ||||
| 97 | P | 38.5 | Very low | 30 | Very low | 131 Ų | 131 | 146.9 Ų | 146.9 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | cis | -147.2 | -153.3 | 37.9 | 44.3 | -22 | 0 | 0 | 0 | 115.6 | ||||
| 98 | S | 27.1 | Very low | 29.8 | Very low | 100 Ų | 100 | 143.9 Ų | 143.9 | 70% | 0.699 | 77% | 0.773 | S | S | * | * | trans | -109.1 | -176 | -172.7 | 60.8 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 99 | S | 30.9 | Very low | 29.3 | Very low | 98 Ų | 98 | 146.3 Ų | 146.3 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 92 | 125.1 | 141.2 | 70.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 100 | Q | 30.6 | Very low | 29.5 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | trans | 85.6 | 142.1 | 132.4 | -84.4 | -171.2 | 24.7 | 0 | 0 | 123.2 | ||||
| 101 | Q | 28.7 | Very low | 29.7 | Very low | 145 Ų | 145 | 145.9 Ų | 145.9 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | 60.9 | 124.2 | 150.1 | -65.1 | 176.5 | 44.7 | 0 | 0 | 120.2 | ||||
| 102 | R | 28.9 | Very low | 29.7 | Very low | 223 Ų | 223 | 146.5 Ų | 146.5 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | 167.1 | 141.9 | 87.4 | 180 | 166 | -86.2 | -139.5 | -3.5 | 113.7 | |||||
| 103 | A | 26.4 | Very low | 29.9 | Very low | 91 Ų | 91 | 147.4 Ų | 147.4 | 75% | 0.752 | 79% | 0.791 | S | S | * | * | trans | -28.4 | 162.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 104 | S | 29.1 | Very low | 30.3 | Very low | 105 Ų | 105 | 147 Ų | 147 | 73% | 0.734 | 79% | 0.789 | S | S | * | * | 135.2 | 122.3 | 118.4 | -165.4 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 105 | C | 31.4 | Very low | 30.6 | Very low | 132 Ų | 132 | 148.2 Ų | 148.2 | 89% | 0.892 | 80% | 0.796 | S | S | * | * | trans | -164.2 | 167.9 | 142.2 | 33.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 106 | Y | 29.8 | Very low | 30.6 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 82% | 0.816 | 78% | 0.784 | S | S | * | * | trans | -155.4 | 160.5 | -151.1 | -129.8 | -73.8 | 0 | 0 | 0 | 111.7 | ||||
| 107 | L | 32.3 | Very low | 30.4 | Very low | 144 Ų | 144 | 136.9 Ų | 136.9 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | 70.8 | 158.8 | 167.1 | -54.1 | 176.2 | 0 | 0 | 0 | 116.2 | ||||
| 108 | T | 28.5 | Very low | 30 | Very low | 111 Ų | 111 | 136.4 Ų | 136.4 | 68% | 0.681 | 78% | 0.779 | S | S | * | * | cis | -153 | 159.3 | 3.6 | -11.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 109 | D | 30.6 | Very low | 31.1 | Very low | 160 Ų | 160 | 136.9 Ų | 136.9 | 86% | 0.856 | 78% | 0.78 | S | S | * | * | trans | 24.4 | 163.5 | 151 | -82.4 | -76 | 0 | 0 | 0 | 125.4 | ||||
| 110 | G | 31.7 | Very low | 30.9 | Very low | 64 Ų | 64 | 140 Ų | 140 | 66% | 0.66 | 79% | 0.789 | S | S | * | * | trans | -135.2 | -172.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 111 | V | 30.9 | Very low | 30.8 | Very low | 154 Ų | 154 | 136.9 Ų | 136.9 | 93% | 0.933 | 79% | 0.79 | S | S | * | * | trans | -151.7 | 156.9 | 175.7 | -97.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 112 | E | 29.9 | Very low | 31.1 | Very low | 168 Ų | 168 | 137.5 Ų | 137.5 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -80 | 163.2 | -174.3 | -62.8 | 170.5 | 75.9 | 0 | 0 | 115.3 | H114 | E112-H114 IonicContact OE1-CD2 3.54Š| ||
| 113 | A | 29.3 | Very low | 32.4 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 88% | 0.876 | 79% | 0.79 | S | S | * | * | trans | -147.7 | 97.4 | 149.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 114 | H | 36.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 134.4 Ų | 134.4 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | trans | -105.7 | 113.2 | 179.6 | -101.1 | -64.8 | 0 | 0 | 0 | 112.3 | E112 | E112-H114 IonicContact OE1-CD2 3.54Š| ||
| 115 | L | 31 | Very low | 32.9 | Very low | 183 Ų | 183 | 132.5 Ų | 132.5 | 96% | 0.958 | 79% | 0.793 | S | S | * | * | trans | -158.3 | 139.5 | 156 | -70.2 | -177 | 0 | 0 | 0 | 108.4 | ||||
| 116 | G | 27.5 | Very low | 33.4 | Very low | 63 Ų | 63 | 131.5 Ų | 131.5 | 65% | 0.649 | 79% | 0.794 | S | S | * | * | cis | 164 | 116 | -13.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 117 | L | 29.8 | Very low | 33.9 | Very low | 168 Ų | 168 | 129.3 Ų | 129.3 | 88% | 0.88 | 80% | 0.796 | S | S | * | * | trans | 67.4 | 154 | 158.2 | -44.4 | 178 | 0 | 0 | 0 | 118.7 | ||||
| 118 | T | 29.7 | Very low | 34.4 | Very low | 122 Ų | 122 | 125.7 Ų | 125.7 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | cis | -148.9 | -140.3 | -30.1 | 33.4 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 119 | P | 49 | Very low | 35.4 | Very low | 109 Ų | 109 | 124.5 Ų | 124.5 | 71% | 0.708 | 79% | 0.789 | S | S | * | * | -127.2 | 167.4 | -118.8 | 39.5 | -19.8 | 0 | 0 | 0 | 116.6 | |||||
| 120 | D | 28 | Very low | 36.4 | Very low | 164 Ų | 164 | 125.3 Ų | 125.3 | 88% | 0.877 | 79% | 0.785 | S | S | * | * | trans | -167.7 | 161.9 | 130.2 | -128.6 | -43.1 | 0 | 0 | 0 | 113.9 | ||||
| 121 | A | 28.4 | Very low | 37.3 | Very low | 91 Ų | 91 | 125.5 Ų | 125.5 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 56.5 | 90.2 | 164.8 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 122 | D | 34.7 | Very low | 38.4 | Very low | 158 Ų | 158 | 120.1 Ų | 120.1 | 85% | 0.845 | 75% | 0.75 | S | S | * | * | trans | -82.9 | 170.5 | 141.6 | -107.5 | -48.8 | 0 | 0 | 0 | 109.8 | ||||
| 123 | P | 56.3 | Low | 39.7 | Very low | 104 Ų | 104 | 116.9 Ų | 116.9 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | cis | -137.5 | -166.9 | 3.4 | 28.9 | -3.3 | 0 | 0 | 0 | 115.6 | ||||
| 124 | V | 34.5 | Very low | 41.1 | Very low | 146 Ų | 146 | 116.3 Ų | 116.3 | 89% | 0.885 | 72% | 0.719 | S | S | * | * | trans | 83.5 | 123.4 | 160.1 | -167.7 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 125 | G | 30.8 | Very low | 42.4 | Very low | 65 Ų | 65 | 115.7 Ų | 115.7 | 67% | 0.67 | 72% | 0.717 | S | S | * | * | trans | 165.2 | 5.1 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | L127 | G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.89Å | ||
| 126 | A | 41.8 | Very low | 43.9 | Very low | 111 Ų | 111 | 114.2 Ų | 114.2 | 92% | 0.917 | 70% | 0.699 | S | S | * | * | trans | -75.5 | 67.1 | -168.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 127 | L | 40.3 | Very low | 45.9 | Very low | 162 Ų | 162 | 119.3 Ų | 119.3 | 85% | 0.848 | 70% | 0.698 | S | S | * | * | trans | -108.3 | 104.7 | 167.9 | -75.9 | 173.8 | 0 | 0 | 0 | 110.9 | G125 S129 | G125-L127 VanDerWaalsContact C-N 3.33Å; G125-L127 PolarHBondContact O-N 2.89Å; L127-S129 PolarHBondContact O-N 3.3Å | ||
| 128 | G | 44.5 | Very low | 47.3 | Very low | 68 Ų | 68 | 118.8 Ų | 118.8 | 70% | 0.701 | 69% | 0.686 | S | S | * | * | trans | -61.9 | 106.1 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K130 | G128-K130 PolarHBondContact O-N 3Š| ||
| 129 | S | 48.9 | Very low | 49.7 | Very low | 85 Ų | 85 | 116 Ų | 116 | 59% | 0.594 | 67% | 0.671 | S | S | * | * | trans | -56.1 | 129.4 | -179.1 | -52.5 | 0 | 0 | 0 | 0 | 112.1 | L127 A131 S132 | L127-S129 PolarHBondContact O-N 3.3Å; S129-A131 PolarHBondContact O-N 3.03Å; S129-S132 WeakPolarHBondContact O-CB 3.46Å; S129-S132 PolarHBondContact O-N 3.03Å; S129-S132 PolarHBondContact O-OG 3.41Å | ||
| 130 | K | 52 | Low | 51.1 | Low | 177 Ų | 177 | 115.1 Ų | 115.1 | 77% | 0.77 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.2 | -30.7 | -176.9 | -68.7 | 178.1 | 178.6 | 174.9 | 0 | 113.8 | G128 S132 L133 N134 | G128-K130 PolarHBondContact O-N 3Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.46Å; K130-L133 PolarHBondContact O-N 2.94Å; K130-N134 PolarHBondContact O-N 3.45Å |
| 131 | A | 49.2 | Very low | 53.7 | Low | 68 Ų | 68 | 112.8 Ų | 112.8 | 56% | 0.562 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -52.3 | -43 | 173 | 0 | 0 | 0 | 0 | 0 | 113.1 | S129 L133 N134 Q135 | S129-A131 PolarHBondContact O-N 3.03Å; A131-L133 VanDerWaalsContact C-N 3.26Å; A131-L133 PolarHBondContact O-N 2.82Å; A131-N134 PolarHBondContact O-N 3.2Å; A131-Q135 PolarHBondContact O-N 2.98Å |
| 132 | S | 54.1 | Low | 55.8 | Low | 41 Ų | 41 | 112.5 Ų | 112.5 | 29% | 0.287 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.1 | -15 | -177.2 | 73.6 | 0 | 0 | 0 | 0 | 114.7 | S129 K130 R136 | S129-S132 WeakPolarHBondContact O-CB 3.46Å; S129-S132 PolarHBondContact O-N 3.03Å; S129-S132 PolarHBondContact O-OG 3.41Å; K130-S132 VanDerWaalsContact C-N 3.29Å; K130-S132 PolarHBondContact O-N 3.46Å; S132-R136 PolarHBondContact O-NE 2.99Å; S132-R136 PolarHBondContact O-NH2 2.83Å |
| 133 | L | 57.9 | Low | 58 | Low | 100 Ų | 100 | 111.3 Ų | 111.3 | 52% | 0.524 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -91.9 | -39 | 170.5 | -69.5 | 174.5 | 0 | 0 | 0 | 110.8 | K130 A131 R136 R137 | K130-L133 PolarHBondContact O-N 2.94Å; A131-L133 VanDerWaalsContact C-N 3.26Å; A131-L133 PolarHBondContact O-N 2.82Å; L133-R136 PolarHBondContact O-N 2.76Å; L133-R137 WeakPolarHBondContact O-CG 3.44Å; L133-R137 PolarHBondContact O-N 3.15Å |
| 134 | N | 59.2 | Low | 59.4 | Low | 94 Ų | 94 | 112.7 Ų | 112.7 | 50% | 0.503 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 175.5 | -71.5 | -3.6 | 0 | 0 | 0 | 111.9 | K130 A131 R136 R137 Y138 | K130-N134 PolarHBondContact O-N 3.45Å; A131-N134 PolarHBondContact O-N 3.2Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.99Å; N134-R137 PolarHBondContact O-N 3.47Å; N134-Y138 WeakPolarHBondContact O-CB 3.35Å; N134-Y138 PolarHBondContact O-N 2.83Å |
| 135 | Q | 63 | Low | 61.6 | Low | 151 Ų | 151 | 111.1 Ų | 111.1 | 71% | 0.706 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -58.6 | -44 | 173.2 | -115.2 | 174.9 | -8.5 | 0 | 0 | 112.1 | A131 Y138 S139 | A131-Q135 PolarHBondContact O-N 2.98Å; Q135-Y138 PolarHBondContact O-N 3.15Å; Q135-S139 PolarHBondContact O-N 3.4Å; Q135-S139 PolarHBondContact O-OG 2.93Å |
| 136 | R | 62.5 | Low | 64.2 | Low | 152 Ų | 152 | 111.8 Ų | 111.8 | 57% | 0.574 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -68.8 | -33.5 | 178.4 | -90.1 | 179 | -80.5 | -151.7 | -2.7 | 113.5 | S132 L133 N134 S139 L140 | S132-R136 PolarHBondContact O-NE 2.99Å; S132-R136 PolarHBondContact O-NH2 2.83Å; L133-R136 PolarHBondContact O-N 2.76Å; N134-R136 VanDerWaalsContact C-N 3.34Å; N134-R136 PolarHBondContact O-N 2.99Å; R136-S139 WeakPolarHBondContact CA-OG 3.15Å; R136-S139 PolarHBondContact O-OG 2.94Å; R136-L140 WeakPolarHBondContact O-CD1 3.42Å; R136-L140 WeakPolarHBondContact O-CG 3.37Å; R136-L140 PolarHBondContact O-N 3.04Å |
| 137 | R | 69.1 | Low | 65.9 | Low | 170 Ų | 170 | 115.1 Ų | 115.1 | 64% | 0.642 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.5 | -49.6 | 170.2 | -75.9 | 176.1 | 172.6 | 167.9 | -4.2 | 111.2 | L133 N134 S139 L140 E141 | L133-R137 WeakPolarHBondContact O-CG 3.44Å; L133-R137 PolarHBondContact O-N 3.15Å; N134-R137 PolarHBondContact O-N 3.47Å; R137-S139 VanDerWaalsContact C-N 3.33Å; R137-S139 PolarHBondContact O-N 2.83Å; R137-L140 PolarHBondContact O-N 3.17Å; R137-E141 PolarHBondContact O-N 3.39Å |
| 138 | Y | 60.1 | Low | 67.8 | Low | 157 Ų | 157 | 115.9 Ų | 115.9 | 62% | 0.616 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.2 | -40.5 | -179.5 | -165.7 | -110.4 | 0 | 0 | 0 | 112.7 | N134 Q135 L140 E141 L142 | N134-Y138 WeakPolarHBondContact O-CB 3.35Å; N134-Y138 PolarHBondContact O-N 2.83Å; Q135-Y138 PolarHBondContact O-N 3.15Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.11Å; Y138-E141 PolarHBondContact O-N 3.1Å; Y138-L142 HydrophobicContact CD1-CD1 3.83Å; Y138-L142 HydrophobicContact CE1-CD1 3.61Å; Y138-L142 WeakPolarHBondContact O-CB 3.35Å; Y138-L142 PolarHBondContact O-N 3.47Å |
| 139 | S | 79.6 | Confident | 69.3 | Low | 63 Ų | 63 | 119.5 Ų | 119.5 | 44% | 0.441 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.8 | -34.3 | 173.6 | 55.3 | 0 | 0 | 0 | 0 | 113.5 | Q135 R136 R137 Q143 | Q135-S139 PolarHBondContact O-N 3.4Å; Q135-S139 PolarHBondContact O-OG 2.93Å; R136-S139 WeakPolarHBondContact CA-OG 3.15Å; R136-S139 PolarHBondContact O-OG 2.94Å; R137-S139 VanDerWaalsContact C-N 3.33Å; R137-S139 PolarHBondContact O-N 2.83Å; S139-Q143 WeakPolarHBondContact O-CB 3.33Å; S139-Q143 PolarHBondContact O-N 3.41Å; S139-Q143 VanDerWaalsContact O-N 3.08Å |
| 140 | L | 78.9 | Confident | 70.5 | Confident | 90 Ų | 90 | 121.3 Ų | 121.3 | 47% | 0.471 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -74.1 | -39.7 | 177.3 | -76.6 | 167.5 | 0 | 0 | 0 | 111.9 | R136 R137 Y138 Q143 Q144 | R136-L140 WeakPolarHBondContact O-CD1 3.42Å; R136-L140 WeakPolarHBondContact O-CG 3.37Å; R136-L140 PolarHBondContact O-N 3.04Å; R137-L140 PolarHBondContact O-N 3.17Å; Y138-L140 VanDerWaalsContact C-N 3.34Å; Y138-L140 PolarHBondContact O-N 3.11Å; L140-Q143 PolarHBondContact O-N 3.22Å; L140-Q144 WeakPolarHBondContact O-CB 3.47Å; L140-Q144 VanDerWaalsContact O-CG 3.28Å; L140-Q144 WeakPolarHBondContact O-CG 3.41Å; L140-Q144 PolarHBondContact O-N 3.25Å |
| 141 | E | 82.1 | Confident | 71.3 | Confident | 116 Ų | 116 | 118.4 Ų | 118.4 | 54% | 0.542 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -63.1 | -43.5 | 174.5 | -71.2 | -179.9 | 127.4 | 0 | 0 | 111.5 | R137 Y138 Q143 Q144 L145 | R137-E141 PolarHBondContact O-N 3.39Å; Y138-E141 PolarHBondContact O-N 3.1Å; E141-Q143 PolarHBondContact O-N 1.92Å; E141-Q144 PolarHBondContact O-N 3.21Å; E141-L145 WeakPolarHBondContact O-CB 3.49Å; E141-L145 PolarHBondContact O-N 3.45Å |
| 142 | L | 73.1 | Confident | 72 | Confident | 84 Ų | 84 | 121.8 Ų | 121.8 | 44% | 0.44 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -58.1 | -45.9 | 171.8 | -87.1 | 162.7 | 0 | 0 | 0 | 112.2 | Y138 Q144 L145 V146 | Y138-L142 HydrophobicContact CD1-CD1 3.83Å; Y138-L142 HydrophobicContact CE1-CD1 3.61Å; Y138-L142 WeakPolarHBondContact O-CB 3.35Å; Y138-L142 PolarHBondContact O-N 3.47Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 2.68Å; L142-L145 PolarHBondContact O-N 2.92Å; L142-V146 WeakPolarHBondContact O-CG2 3.28Å; L142-V146 PolarHBondContact O-N 3.14Å |
| 143 | Q | 81.2 | Confident | 72 | Confident | 134 Ų | 134 | 124.2 Ų | 124.2 | 63% | 0.626 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.6 | -33.7 | 179.6 | -163.1 | 173.9 | 38.4 | 0 | 0 | 112.5 | S139 L140 E141 R147 | S139-Q143 WeakPolarHBondContact O-CB 3.33Å; S139-Q143 PolarHBondContact O-N 3.41Å; S139-Q143 VanDerWaalsContact O-N 3.08Å; L140-Q143 PolarHBondContact O-N 3.22Å; E141-Q143 PolarHBondContact O-N 1.92Å; Q143-R147 WeakPolarHBondContact O-CB 3.24Å; Q143-R147 PolarHBondContact O-N 3.45Å; Q143-R147 VanDerWaalsContact O-N 3.14Å |
| 144 | Q | 85.1 | Confident | 71.6 | Confident | 133 Ų | 133 | 125.7 Ų | 125.7 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -70.6 | -39.4 | 172.9 | -71.9 | 175 | 15.3 | 0 | 0 | 112.3 | L140 E141 L142 R147 R148 | L140-Q144 WeakPolarHBondContact O-CB 3.47Å; L140-Q144 VanDerWaalsContact O-CG 3.28Å; L140-Q144 WeakPolarHBondContact O-CG 3.41Å; L140-Q144 PolarHBondContact O-N 3.25Å; E141-Q144 PolarHBondContact O-N 3.21Å; L142-Q144 VanDerWaalsContact C-N 3.32Å; L142-Q144 PolarHBondContact O-N 2.68Å; Q144-R147 PolarHBondContact O-N 2.99Å; Q144-R148 WeakPolarHBondContact O-CB 3.19Å; Q144-R148 PolarHBondContact O-N 3.26Å |
| 145 | L | 80.9 | Confident | 71.2 | Confident | 113 Ų | 113 | 126.7 Ų | 126.7 | 59% | 0.592 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.3 | -48.9 | 174.4 | -95.3 | 161.2 | 0 | 0 | 0 | 112 | E141 L142 R147 R148 Q149 | E141-L145 WeakPolarHBondContact O-CB 3.49Å; E141-L145 PolarHBondContact O-N 3.45Å; L142-L145 PolarHBondContact O-N 2.92Å; L145-R147 PolarHBondContact O-N 2.82Å; L145-R148 WeakPolarHBondContact O-CB 3.3Å; L145-R148 PolarHBondContact O-N 2.95Å; L145-Q149 PolarHBondContact O-N 2.79Å |
| 146 | V | 85.3 | Confident | 70.4 | Confident | 79 Ų | 79 | 124.7 Ų | 124.7 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -60.2 | -45.4 | 176.8 | 172.8 | 0 | 0 | 0 | 0 | 111.1 | L142 R148 Q149 Q150 | L142-V146 WeakPolarHBondContact O-CG2 3.28Å; L142-V146 PolarHBondContact O-N 3.14Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 2.87Å; V146-Q149 PolarHBondContact O-N 3.43Å; V146-Q150 PolarHBondContact O-N 2.89Å |
| 147 | R | 77.2 | Confident | 69.6 | Low | 180 Ų | 180 | 123.2 Ų | 123.2 | 68% | 0.679 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -60.2 | -41.1 | 175.2 | 179.2 | 176.2 | -75.4 | -167.9 | -3 | 112 | Q143 Q144 L145 Q149 Q150 L151 | Q143-R147 WeakPolarHBondContact O-CB 3.24Å; Q143-R147 PolarHBondContact O-N 3.45Å; Q143-R147 VanDerWaalsContact O-N 3.14Å; Q144-R147 PolarHBondContact O-N 2.99Å; L145-R147 PolarHBondContact O-N 2.82Å; R147-Q149 VanDerWaalsContact C-N 3.34Å; R147-Q150 PolarHBondContact O-N 3.04Å; R147-L151 HydrophobicContact CG-CD1 4.29Å; R147-L151 WeakPolarHBondContact O-CG 3.09Å; R147-L151 PolarHBondContact O-N 3.38Å; R147-L151 VanDerWaalsContact O-N 3.13Å |
| 148 | R | 79.9 | Confident | 68 | Low | 179 Ų | 179 | 124 Ų | 124 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -64.4 | -39.2 | 176.9 | -170.9 | 176.1 | -174.7 | 169 | 1.9 | 111.7 | Q144 L145 V146 L151 L152 | Q144-R148 WeakPolarHBondContact O-CB 3.19Å; Q144-R148 PolarHBondContact O-N 3.26Å; L145-R148 WeakPolarHBondContact O-CB 3.3Å; L145-R148 PolarHBondContact O-N 2.95Å; V146-R148 VanDerWaalsContact C-N 3.33Å; V146-R148 PolarHBondContact O-N 2.87Å; R148-L151 PolarHBondContact O-N 3.49Å; R148-L152 HydrophobicContact CG-CD1 4.42Å; R148-L152 WeakPolarHBondContact O-CG 3.45Å; R148-L152 PolarHBondContact O-N 2.97Å; R148-L152 VanDerWaalsContact O-N 3.15Å |
| 149 | Q | 76.3 | Confident | 66.9 | Low | 143 Ų | 143 | 122.1 Ų | 122.1 | 67% | 0.668 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -39.6 | 177.6 | -158.3 | 164.8 | 30.4 | 0 | 0 | 112 | L145 V146 R147 L151 L152 S153 | L145-Q149 PolarHBondContact O-N 2.79Å; V146-Q149 PolarHBondContact O-N 3.43Å; R147-Q149 VanDerWaalsContact C-N 3.34Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 2.97Å; Q149-L152 PolarHBondContact O-N 3.06Å; Q149-S153 PolarHBondContact O-N 2.97Å; Q149-S153 PolarHBondContact O-OG 2.83Å |
| 150 | Q | 74.4 | Confident | 65 | Low | 124 Ų | 124 | 126.8 Ų | 126.8 | 58% | 0.579 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -66.8 | -22.2 | 172.9 | -82 | -177.7 | -39.3 | 0 | 0 | 114.8 | V146 R147 S153 Q154 | V146-Q150 PolarHBondContact O-N 2.89Å; R147-Q150 PolarHBondContact O-N 3.04Å; Q150-S153 WeakPolarHBondContact CA-OG 3.48Å; Q150-S153 PolarHBondContact O-OG 3.03Å; Q150-Q154 PolarHBondContact O-NE2 2.97Å |
| 151 | L | 67.9 | Low | 63 | Low | 115 Ų | 115 | 127.6 Ų | 127.6 | 60% | 0.602 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -81.7 | -32.6 | 172.3 | -71.8 | 168.1 | 0 | 0 | 0 | 111.9 | R147 R148 Q149 S153 | R147-L151 HydrophobicContact CG-CD1 4.29Å; R147-L151 WeakPolarHBondContact O-CG 3.09Å; R147-L151 PolarHBondContact O-N 3.38Å; R147-L151 VanDerWaalsContact O-N 3.13Å; R148-L151 PolarHBondContact O-N 3.49Å; Q149-L151 VanDerWaalsContact C-N 3.29Å; Q149-L151 PolarHBondContact O-N 2.97Å; L151-S153 VanDerWaalsContact C-N 3.31Å |
| 152 | L | 64 | Low | 61 | Low | 140 Ų | 140 | 127 Ų | 127 | 73% | 0.733 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -75.3 | -17.2 | 175.9 | -69.7 | 168.3 | 0 | 0 | 0 | 113.4 | R148 Q149 | R148-L152 HydrophobicContact CG-CD1 4.42Å; R148-L152 WeakPolarHBondContact O-CG 3.45Å; R148-L152 PolarHBondContact O-N 2.97Å; R148-L152 VanDerWaalsContact O-N 3.15Å; Q149-L152 PolarHBondContact O-N 3.06Å |
| 153 | S | 55 | Low | 59.5 | Low | 91 Ų | 91 | 129 Ų | 129 | 64% | 0.636 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 11.6 | 179.5 | 64.6 | 0 | 0 | 0 | 0 | 114.8 | Q149 Q150 L151 | Q149-S153 PolarHBondContact O-N 2.97Å; Q149-S153 PolarHBondContact O-OG 2.83Å; Q150-S153 WeakPolarHBondContact CA-OG 3.48Å; Q150-S153 PolarHBondContact O-OG 3.03Å; L151-S153 VanDerWaalsContact C-N 3.31Å |
| 154 | Q | 48.8 | Very low | 57.3 | Low | 132 Ų | 132 | 133 Ų | 133 | 62% | 0.617 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -100.4 | 133.1 | 178.9 | -69.7 | -178.1 | 55.1 | 0 | 0 | 111.8 | Q150 | Q150-Q154 PolarHBondContact O-NE2 2.97Š|
| 155 | P | 50.5 | Low | 55.4 | Low | 114 Ų | 114 | 132.3 Ų | 132.3 | 74% | 0.74 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 154.2 | 172.6 | 31.4 | -34.7 | 0 | 0 | 0 | 111.2 | ||
| 156 | P | 47 | Very low | 53.3 | Low | 110 Ų | 110 | 131.3 Ų | 131.3 | 71% | 0.714 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 148.4 | -179 | 29.1 | -35.5 | 0 | 0 | 0 | 112.2 | ||
| 157 | P | 44.1 | Very low | 51.3 | Low | 121 Ų | 121 | 133.8 Ų | 133.8 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 137.8 | 177.1 | 29 | -34.6 | 0 | 0 | 0 | 111.7 | S159 | P157-S159 PolarHBondContact O-N 2.9Š|
| 158 | H | 36.9 | Very low | 49.2 | Very low | 186 Ų | 186 | 128 Ų | 128 | 86% | 0.861 | 73% | 0.727 | S | S | * | * | trans | -75.7 | 113.2 | 173.2 | -77.8 | -88.3 | 0 | 0 | 0 | 111.1 | I160 | H158-I160 PolarHBondContact O-N 3.03Š| ||
| 159 | S | 37.3 | Very low | 47 | Very low | 118 Ų | 118 | 131.5 Ų | 131.5 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 119.8 | 172.4 | -56.6 | 0 | 0 | 0 | 0 | 111.5 | P157 | P157-S159 PolarHBondContact O-N 2.9Š|
| 160 | I | 38.2 | Very low | 44.8 | Very low | 161 Ų | 161 | 127.8 Ų | 127.8 | 83% | 0.826 | 74% | 0.743 | S | S | * | * | P | Polyproline II helix | trans | -86.1 | 125.1 | 171.9 | -59.6 | 172.1 | 0 | 0 | 0 | 108.7 | H158 | H158-I160 PolarHBondContact O-N 3.03Š|
| 161 | P | 38.7 | Very low | 42.8 | Very low | 106 Ų | 106 | 128.3 Ų | 128.3 | 69% | 0.688 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -80.5 | 145.4 | 174.6 | 32.3 | -33.7 | 0 | 0 | 0 | 112 | ||
| 162 | P | 39.5 | Very low | 41.1 | Very low | 105 Ų | 105 | 127.2 Ų | 127.2 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 157 | 171.8 | 32.5 | -35 | 0 | 0 | 0 | 111.9 | ||
| 163 | P | 42.3 | Very low | 40.6 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 147.5 | -175.3 | 33 | -35.6 | 0 | 0 | 0 | 113.6 | ||
| 164 | Y | 33.3 | Very low | 39.6 | Very low | 217 Ų | 217 | 133.4 Ų | 133.4 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | -124.9 | 144 | 162.3 | -85.9 | -88.2 | 0 | 0 | 0 | 109.9 | ||||
| 165 | P | 45.3 | Very low | 38.6 | Very low | 120 Ų | 120 | 131.1 Ų | 131.1 | 78% | 0.779 | 79% | 0.794 | S | S | * | * | trans | -80.5 | 154.4 | -179.5 | 33.2 | -35.3 | 0 | 0 | 0 | 112.9 | ||||
| 166 | A | 37.9 | Very low | 37.7 | Very low | 91 Ų | 91 | 129.7 Ų | 129.7 | 75% | 0.752 | 80% | 0.8 | S | S | * | * | trans | -77.3 | 165.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 167 | P | 43.7 | Very low | 37.3 | Very low | 131 Ų | 131 | 133.4 Ų | 133.4 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | -132.9 | 175.2 | 90.5 | 38.5 | -29.3 | 0 | 0 | 0 | 113.9 | |||||
| 168 | G | 32.2 | Very low | 36.8 | Very low | 58 Ų | 58 | 132.6 Ų | 132.6 | 60% | 0.598 | 82% | 0.816 | S | S | * | * | trans | -120.4 | -158.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 169 | Y | 33 | Very low | 36.5 | Very low | 253 Ų | 253 | 131.7 Ų | 131.7 | 99% | 0.992 | 81% | 0.812 | S | S | * | * | trans | 69.2 | 136.9 | -168.3 | -53.6 | -87.4 | 0 | 0 | 0 | 114.1 | ||||
| 170 | G | 30.9 | Very low | 36.1 | Very low | 65 Ų | 65 | 134.3 Ų | 134.3 | 67% | 0.67 | 81% | 0.811 | S | S | * | * | cis | 173.9 | 179.8 | -7.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 171 | S | 32.8 | Very low | 35.6 | Very low | 135 Ų | 135 | 130 Ų | 130 | 94% | 0.944 | 81% | 0.807 | S | S | * | * | trans | 77.9 | 146.2 | 167 | -56.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 172 | A | 32.6 | Very low | 35.1 | Very low | 93 Ų | 93 | 136.3 Ų | 136.3 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -112.6 | -154.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 173 | P | 53.5 | Low | 34.6 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 73% | 0.734 | 82% | 0.822 | S | S | * | * | cis | -141.9 | -160.5 | 4.3 | 42.7 | -20.6 | 0 | 0 | 0 | 115.7 | ||||
| 174 | R | 33.3 | Very low | 34.5 | Very low | 248 Ų | 248 | 137 Ų | 137 | 94% | 0.936 | 82% | 0.815 | S | S | * | * | trans | 72.8 | 147.8 | 174.9 | -64.2 | -177.8 | 170.6 | -155.5 | -2.5 | 116.3 | ||||
| 175 | G | 28.4 | Very low | 34.3 | Very low | 83 Ų | 83 | 135.3 Ų | 135.3 | 86% | 0.856 | 82% | 0.815 | S | S | * | * | cis | 135.5 | 116.8 | -10.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 176 | G | 30.8 | Very low | 34 | Very low | 84 Ų | 84 | 135.5 Ų | 135.5 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -175 | 144 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 177 | L | 39.2 | Very low | 34.1 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 98% | 0.984 | 82% | 0.823 | S | S | * | * | trans | -118.4 | 142 | -179.3 | -80.6 | 156.4 | 0 | 0 | 0 | 110.1 | ||||
| 178 | A | 33.1 | Very low | 33.5 | Very low | 105 Ų | 105 | 145.4 Ų | 145.4 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | trans | -156.5 | 155.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 179 | E | 29.8 | Very low | 33.9 | Very low | 167 Ų | 167 | 151.8 Ų | 151.8 | 78% | 0.78 | 84% | 0.839 | S | S | * | * | trans | -106.4 | 174.5 | -161.8 | -99 | -91.2 | 71.2 | 0 | 0 | 115.4 | ||||
| 180 | Q | 30.3 | Very low | 34.2 | Very low | 172 Ų | 172 | 149.9 Ų | 149.9 | 80% | 0.804 | 84% | 0.836 | S | S | * | * | trans | -58 | 158.5 | -172.1 | -61.8 | 156.2 | 64.5 | 0 | 0 | 117.4 | ||||
| 181 | G | 26.6 | Very low | 34.8 | Very low | 70 Ų | 70 | 157.4 Ų | 157.4 | 72% | 0.722 | 84% | 0.844 | S | S | * | * | trans | 140.3 | 88.2 | 136 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 182 | Y | 29.1 | Very low | 34.8 | Very low | 239 Ų | 239 | 161.3 Ų | 161.3 | 94% | 0.937 | 85% | 0.845 | S | S | * | * | 176.8 | 167.1 | 126.4 | -116.6 | -99.9 | 0 | 0 | 0 | 111.9 | |||||
| 183 | N | 28.2 | Very low | 35.5 | Very low | 143 Ų | 143 | 162.5 Ų | 162.5 | 77% | 0.765 | 85% | 0.847 | S | S | * | * | trans | -157.2 | 157.4 | -177 | -164.1 | 33.5 | 0 | 0 | 0 | 107.8 | ||||
| 184 | P | 41.6 | Very low | 35 | Very low | 101 Ų | 101 | 164.8 Ų | 164.8 | 66% | 0.656 | 85% | 0.852 | S | S | * | * | cis | -124.1 | -174.5 | -6.8 | 42.9 | -28.2 | 0 | 0 | 0 | 113.9 | ||||
| 185 | E | 28.3 | Very low | 35.4 | Very low | 183 Ų | 183 | 161 Ų | 161 | 86% | 0.855 | 85% | 0.846 | S | S | * | * | 162.7 | 141.7 | 122.7 | -162.1 | 150.7 | 107.4 | 0 | 0 | 111 | |||||
| 186 | P | 39.6 | Very low | 36 | Very low | 124 Ų | 124 | 165.6 Ų | 165.6 | 81% | 0.805 | 85% | 0.845 | S | S | * | * | trans | -111.7 | 104.4 | -158.2 | 38.2 | -29.1 | 0 | 0 | 0 | 116.4 | ||||
| 187 | E | 38.4 | Very low | 36.6 | Very low | 191 Ų | 191 | 165.7 Ų | 165.7 | 89% | 0.893 | 84% | 0.838 | S | S | * | * | trans | -142.6 | 39.4 | 175.7 | -144.7 | 178.7 | -147.4 | 0 | 0 | 117.6 | ||||
| 188 | R | 32.8 | Very low | 36.7 | Very low | 238 Ų | 238 | 164.1 Ų | 164.1 | 90% | 0.898 | 83% | 0.829 | S | S | * | * | S | Bend | trans | -130.4 | 12.5 | 174.2 | -75 | -160 | 179.2 | -147.9 | 2 | 118.7 | ||
| 189 | H | 39.5 | Very low | 37 | Very low | 193 Ų | 193 | 166.2 Ų | 166.2 | 89% | 0.894 | 83% | 0.825 | S | S | * | * | trans | -117.5 | 48.1 | 176.8 | -64.3 | 113.9 | 0 | 0 | 0 | 114.1 | ||||
| 190 | K | 38.6 | Very low | 37.2 | Very low | 212 Ų | 212 | 169.7 Ų | 169.7 | 92% | 0.922 | 83% | 0.833 | S | S | * | * | S | Bend | trans | -121.7 | 27.6 | 171.2 | -97.5 | -177.6 | 179.4 | 172.7 | 0 | 113.8 | ||
| 191 | R | 44.1 | Very low | 37.5 | Very low | 223 Ų | 223 | 171 Ų | 171 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | S | Bend | trans | -132.2 | 155.6 | 163.8 | -70.5 | -174.7 | 170.8 | 131.7 | 0.9 | 108.2 | ||
| 192 | F | 33 | Very low | 37.9 | Very low | 217 Ų | 217 | 178.5 Ų | 178.5 | 95% | 0.952 | 84% | 0.842 | S | S | * | * | S | Bend | trans | 71.2 | 64.8 | -166.7 | -52 | -71.6 | 0 | 0 | 0 | 115.5 | ||
| 193 | S | 47.6 | Very low | 38 | Very low | 118 Ų | 118 | 175.3 Ų | 175.3 | 83% | 0.825 | 84% | 0.841 | S | S | * | * | trans | -153.3 | 41.1 | 160.7 | -164.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 194 | L | 44 | Very low | 38.2 | Very low | 161 Ų | 161 | 174.2 Ų | 174.2 | 84% | 0.843 | 84% | 0.844 | S | S | * | * | S | Bend | trans | -145.3 | 35.1 | 177.7 | -83 | -176.1 | 0 | 0 | 0 | 113.4 | ||
| 195 | Q | 41.5 | Very low | 37.8 | Very low | 170 Ų | 170 | 176.2 Ų | 176.2 | 79% | 0.794 | 85% | 0.854 | S | S | * | * | S | Bend | trans | -118.7 | -31.5 | 177.5 | -158.5 | 69 | 28.4 | 0 | 0 | 113.8 | ||
| 196 | E | 40.9 | Very low | 37.8 | Very low | 178 Ų | 178 | 171.6 Ų | 171.6 | 83% | 0.832 | 86% | 0.856 | S | S | * | * | S | Bend | trans | -92 | -13.6 | -172.2 | -63.8 | 179.9 | 116.6 | 0 | 0 | 114.2 | L198 | E196-L198 PolarHBondContact O-N 2.95Å; E196-L198 VanDerWaalsContact O-N 3.11Å |
| 197 | A | 42.2 | Very low | 37.3 | Very low | 87 Ų | 87 | 168.6 Ų | 168.6 | 72% | 0.719 | 85% | 0.847 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | -1.9 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 198 | L | 40.9 | Very low | 36.9 | Very low | 154 Ų | 154 | 168.4 Ų | 168.4 | 81% | 0.806 | 85% | 0.847 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.4 | -1.6 | -174.5 | -68.8 | 177.3 | 0 | 0 | 0 | 115.1 | E196 | E196-L198 PolarHBondContact O-N 2.95Å; E196-L198 VanDerWaalsContact O-N 3.11Å |
| 199 | L | 39.6 | Very low | 36.7 | Very low | 149 Ų | 149 | 162.9 Ų | 162.9 | 78% | 0.78 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -90 | -19.3 | -178.5 | -84.2 | 163.9 | 0 | 0 | 0 | 114.9 | ||
| 200 | Y | 35.1 | Very low | 36.4 | Very low | 240 Ų | 240 | 164.9 Ų | 164.9 | 94% | 0.941 | 84% | 0.839 | S | S | * | * | S | Bend | trans | -91.9 | 12.1 | -178.4 | -105.9 | -81.5 | 0 | 0 | 0 | 115.6 | ||
| 201 | K | 36.9 | Very low | 35.9 | Very low | 201 Ų | 201 | 160.6 Ų | 160.6 | 87% | 0.874 | 83% | 0.826 | S | S | * | * | S | Bend | trans | -126.1 | 36.6 | -178.3 | -151.3 | 178.4 | -178.4 | -179.8 | 0 | 114.1 | ||
| 202 | R | 34.2 | Very low | 35.2 | Very low | 227 Ų | 227 | 156.8 Ų | 156.8 | 86% | 0.857 | 82% | 0.823 | S | S | * | * | S | Bend | trans | -138 | 35.6 | 175.3 | -157.2 | 179.3 | -77.8 | -170 | -4.7 | 114.3 | ||
| 203 | L | 30.9 | Very low | 35.8 | Very low | 172 Ų | 172 | 151.1 Ų | 151.1 | 90% | 0.901 | 81% | 0.807 | S | S | * | * | S | Bend | trans | -133.1 | 52.1 | 170 | -78.1 | 174.7 | 0 | 0 | 0 | 111.3 | ||
| 204 | S | 32.1 | Very low | 34.9 | Very low | 119 Ų | 119 | 156.7 Ų | 156.7 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -158 | 50.9 | 169.7 | -78.3 | 0 | 0 | 0 | 0 | 112.8 | ||
| 205 | T | 33 | Very low | 34.7 | Very low | 143 Ų | 143 | 154.7 Ų | 154.7 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -161.5 | 118.3 | 153.4 | 18.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 206 | G | 28.8 | Very low | 34 | Very low | 86 Ų | 86 | 151 Ų | 151 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -81.5 | 139.2 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 207 | G | 29 | Very low | 33.4 | Very low | 61 Ų | 61 | 147.6 Ų | 147.6 | 63% | 0.629 | 80% | 0.802 | S | S | * | * | trans | 174 | 112.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 208 | E | 29.6 | Very low | 32.7 | Very low | 187 Ų | 187 | 151.2 Ų | 151.2 | 87% | 0.874 | 81% | 0.808 | S | S | * | * | trans | -61.8 | 147.7 | -168.1 | 7.9 | -75.5 | 88 | 0 | 0 | 114.1 | ||||
| 209 | V | 28.6 | Very low | 32.1 | Very low | 123 Ų | 123 | 149.2 Ų | 149.2 | 75% | 0.745 | 81% | 0.807 | S | S | * | * | trans | -105.7 | 136.9 | 175.4 | 169.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 210 | W | 33.4 | Very low | 31.5 | Very low | 235 Ų | 235 | 151 Ų | 151 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -142.8 | 109.7 | 149.6 | -93.4 | 94.3 | 0 | 0 | 0 | 111.7 | ||||
| 211 | D | 28.6 | Very low | 32.4 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 65% | 0.652 | 80% | 0.802 | S | S | * | * | trans | 62.5 | 166.3 | 146.3 | -86.4 | -87.9 | 0 | 0 | 0 | 127.4 | ||||
| 212 | N | 28.6 | Very low | 32.6 | Very low | 143 Ų | 143 | 141.5 Ų | 141.5 | 77% | 0.765 | 80% | 0.799 | S | S | * | * | trans | -123.9 | -174.4 | -159.2 | -99.3 | -48.4 | 0 | 0 | 0 | 109.8 | ||||
| 213 | P | 46.6 | Very low | 32.3 | Very low | 97 Ų | 97 | 139.2 Ų | 139.2 | 63% | 0.63 | 80% | 0.798 | S | S | * | * | cis | -139.1 | 162.5 | -41.2 | 37.2 | -21.2 | 0 | 0 | 0 | 114.9 | ||||
| 214 | R | 28.8 | Very low | 32.2 | Very low | 235 Ų | 235 | 142.1 Ų | 142.1 | 89% | 0.887 | 80% | 0.797 | S | S | * | * | trans | 65.3 | 171.3 | 155.3 | -110.3 | -166.3 | -80.3 | -130.6 | -4.3 | 117.7 | ||||
| 215 | P | 39.3 | Very low | 32.6 | Very low | 120 Ų | 120 | 141.4 Ų | 141.4 | 78% | 0.779 | 79% | 0.789 | S | S | * | * | cis | -117.3 | -178.1 | -29.2 | 20.3 | 2.5 | 0 | 0 | 0 | 112.6 | ||||
| 216 | A | 27.6 | Very low | 32.5 | Very low | 93 Ų | 93 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | -84 | 149.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 217 | S | 27.6 | Very low | 32.6 | Very low | 106 Ų | 106 | 141.5 Ų | 141.5 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | 168.2 | 126 | 119.2 | -73.9 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 218 | L | 27.6 | Very low | 32.8 | Very low | 162 Ų | 162 | 145.4 Ų | 145.4 | 85% | 0.848 | 78% | 0.776 | S | S | * | * | trans | 51.9 | 146.3 | 140.2 | -64 | 168 | 0 | 0 | 0 | 123.7 | ||||
| 219 | S | 27.9 | Very low | 34 | Very low | 113 Ų | 113 | 142.4 Ų | 142.4 | 79% | 0.79 | 77% | 0.773 | S | S | * | * | trans | 73.6 | 126.2 | 157.5 | 25.4 | 0 | 0 | 0 | 0 | 121 | ||||
| 220 | H | 28.4 | Very low | 34 | Very low | 187 Ų | 187 | 140.6 Ų | 140.6 | 87% | 0.866 | 78% | 0.78 | S | S | * | * | trans | -88.8 | -169.3 | 164.5 | -37.5 | -94.6 | 0 | 0 | 0 | 110.8 | ||||
| 221 | P | 53.9 | Low | 33.9 | Very low | 115 Ų | 115 | 133.5 Ų | 133.5 | 75% | 0.747 | 78% | 0.779 | S | S | * | * | cis | -120.3 | 175.4 | -38 | 36.9 | -22.3 | 0 | 0 | 0 | 111.7 | ||||
| 222 | P | 39.5 | Very low | 33.9 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | -160.8 | -161.6 | 100.1 | 42.3 | -20.3 | 0 | 0 | 0 | 116.4 | |||||
| 223 | H | 27.7 | Very low | 34.2 | Very low | 179 Ų | 179 | 130.2 Ų | 130.2 | 83% | 0.829 | 79% | 0.79 | S | S | * | * | trans | -62.8 | -179.9 | 169.8 | -64.5 | -95.3 | 0 | 0 | 0 | 113.7 | ||||
| 224 | R | 29.1 | Very low | 33.5 | Very low | 233 Ų | 233 | 132.6 Ų | 132.6 | 88% | 0.879 | 80% | 0.802 | S | S | * | * | cis | -169.5 | -146.7 | 43 | -151.2 | -178.6 | -180 | 158.4 | -0.6 | 113.4 | ||||
| 225 | P | 41.8 | Very low | 33.6 | Very low | 103 Ų | 103 | 124.5 Ų | 124.5 | 67% | 0.669 | 79% | 0.791 | S | S | * | * | -105 | 174.8 | -107.2 | 32 | -11.9 | 0 | 0 | 0 | 120 | |||||
| 226 | S | 31 | Very low | 33.3 | Very low | 95 Ų | 95 | 126.3 Ų | 126.3 | 66% | 0.664 | 79% | 0.794 | S | S | * | * | trans | 18.3 | 163 | 137.7 | -40.6 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 227 | D | 29.9 | Very low | 33.3 | Very low | 136 Ų | 136 | 130.2 Ų | 130.2 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | cis | -145.4 | 168.1 | 30.7 | -86.1 | -67.4 | 0 | 0 | 0 | 111.9 | ||||
| 228 | I | 33.2 | Very low | 33.5 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | cis | 80.5 | 137.7 | 38.4 | -64.7 | 175.9 | 0 | 0 | 0 | 113 | ||||
| 229 | P | 54.3 | Low | 34.1 | Very low | 125 Ų | 125 | 132.3 Ų | 132.3 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | cis | -136.5 | 174.1 | 11.2 | 41.1 | -23 | 0 | 0 | 0 | 119.9 | ||||
| 230 | G | 29.7 | Very low | 34.8 | Very low | 85 Ų | 85 | 133.1 Ų | 133.1 | 88% | 0.876 | 79% | 0.793 | S | S | * | * | trans | 109.6 | 134.6 | 137.8 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 231 | G | 30 | Very low | 34.8 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 89% | 0.887 | 79% | 0.789 | S | S | * | * | cis | 174.8 | 150.6 | -9.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 232 | G | 29.4 | Very low | 34.9 | Very low | 78 Ų | 78 | 127.6 Ų | 127.6 | 80% | 0.804 | 79% | 0.787 | S | S | * | * | trans | 109.6 | 107.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 233 | S | 35 | Very low | 34.5 | Very low | 118 Ų | 118 | 127.7 Ų | 127.7 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | 74.8 | 114.5 | 59.1 | -167.7 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 234 | V | 32.2 | Very low | 34.6 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 89% | 0.885 | 79% | 0.786 | S | S | * | * | cis | -140.8 | 174.7 | 14.5 | -103.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 235 | G | 31.5 | Very low | 35 | Very low | 65 Ų | 65 | 120.9 Ų | 120.9 | 67% | 0.67 | 78% | 0.78 | S | S | * | * | cis | 160.3 | -163.4 | 0.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 236 | L | 31.2 | Very low | 35.1 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | trans | 66.9 | 101.1 | 171.1 | -58.4 | 177.4 | 0 | 0 | 0 | 121.2 | ||||
| 237 | F | 29 | Very low | 35 | Very low | 175 Ų | 175 | 122.3 Ų | 122.3 | 77% | 0.768 | 79% | 0.789 | S | S | * | * | trans | 80.6 | 133.1 | 132.7 | -85 | -61.3 | 0 | 0 | 0 | 126.2 | ||||
| 238 | Y | 31 | Very low | 34.9 | Very low | 201 Ų | 201 | 121.2 Ų | 121.2 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | 73.6 | 153.9 | 160.4 | -83.9 | -83.2 | 0 | 0 | 0 | 118.2 | ||||
| 239 | P | 41.4 | Very low | 34.9 | Very low | 110 Ų | 110 | 119.6 Ų | 119.6 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | -118.2 | 176.3 | -118.5 | 10 | 16.2 | 0 | 0 | 0 | 116.8 | |||||
| 240 | P | 41.1 | Very low | 33.5 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -108.4 | 176 | -165.5 | 42.1 | -36.3 | 0 | 0 | 0 | 115.5 | ||||
| 241 | G | 28.5 | Very low | 33.5 | Very low | 77 Ų | 77 | 124 Ų | 124 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | 158.8 | 102.4 | 156.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 242 | P | 56.3 | Low | 33.6 | Very low | 109 Ų | 109 | 126.5 Ų | 126.5 | 71% | 0.708 | 78% | 0.781 | S | S | * | * | trans | -114.2 | 173.6 | 175.5 | 40.1 | -31.7 | 0 | 0 | 0 | 114.5 | ||||
| 243 | T | 30.9 | Very low | 33.6 | Very low | 127 Ų | 127 | 130.4 Ų | 130.4 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | trans | 72.9 | 135.9 | 169.1 | 75.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 244 | L | 29.3 | Very low | 33.3 | Very low | 161 Ų | 161 | 132.2 Ų | 132.2 | 84% | 0.843 | 77% | 0.774 | S | S | * | * | -172.3 | 148.6 | 113.3 | -100.2 | 174.9 | 0 | 0 | 0 | 112.4 | |||||
| 245 | S | 38.4 | Very low | 33.2 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 76% | 0.755 | 76% | 0.761 | S | S | * | * | trans | -146.7 | 135.5 | 156.7 | 178.2 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 246 | P | 44.5 | Very low | 33.1 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 66% | 0.656 | 77% | 0.768 | S | S | * | * | -154.5 | 152.2 | 125 | 37 | -19.8 | 0 | 0 | 0 | 116.5 | |||||
| 247 | C | 28 | Very low | 33.3 | Very low | 128 Ų | 128 | 133.4 Ų | 133.4 | 87% | 0.865 | 77% | 0.771 | S | S | * | * | trans | 58.1 | 162.2 | 137.5 | -62.1 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 248 | S | 27.9 | Very low | 33.4 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | cis | -143.6 | -178 | 19.7 | 61.9 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 249 | S | 32.6 | Very low | 33.5 | Very low | 110 Ų | 110 | 127 Ų | 127 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | trans | -137.2 | 151.8 | -167.3 | -38.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 250 | F | 25.6 | Very low | 33.7 | Very low | 203 Ų | 203 | 126.8 Ų | 126.8 | 89% | 0.89 | 77% | 0.771 | S | S | * | * | trans | -143 | 131.9 | 155.1 | -85.7 | -89.5 | 0 | 0 | 0 | 107.2 | ||||
| 251 | S | 30.6 | Very low | 33.1 | Very low | 99 Ų | 99 | 131.7 Ų | 131.7 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | 62 | 126.4 | 58.6 | -95.5 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 252 | L | 31.1 | Very low | 33.6 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 73% | 0.728 | 77% | 0.771 | S | S | * | * | cis | -146.5 | 139.1 | 12.6 | -88.7 | 176.4 | 0 | 0 | 0 | 109.3 | ||||
| 253 | Q | 30.1 | Very low | 32.6 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | 96.1 | 161.7 | 98.5 | -168.6 | 174.2 | -12.8 | 0 | 0 | 114.6 | |||||
| 254 | E | 27.3 | Very low | 32.8 | Very low | 156 Ų | 156 | 135.5 Ų | 135.5 | 73% | 0.729 | 77% | 0.772 | S | S | * | * | trans | 80.5 | 106.1 | 169.6 | -68.4 | -125.9 | 66.8 | 0 | 0 | 121.6 | ||||
| 255 | S | 30.8 | Very low | 32.9 | Very low | 89 Ų | 89 | 132.7 Ų | 132.7 | 62% | 0.622 | 77% | 0.772 | S | S | * | * | 72.6 | 143.5 | 109.8 | -51.5 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 256 | V | 30.3 | Very low | 32.8 | Very low | 134 Ų | 134 | 132 Ų | 132 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | trans | 87.8 | 129.9 | 158.4 | -166.2 | 0 | 0 | 0 | 0 | 119.6 | V258 | V256-V258 HydrophobicContact CG1-CG2 4.33Š| ||
| 257 | L | 35.4 | Very low | 32.5 | Very low | 172 Ų | 172 | 132.2 Ų | 132.2 | 90% | 0.901 | 77% | 0.771 | S | S | * | * | trans | -79.9 | 130.5 | 170.9 | -62.7 | 160.7 | 0 | 0 | 0 | 111.1 | ||||
| 258 | V | 29.6 | Very low | 32.8 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 73% | 0.733 | 77% | 0.77 | S | S | * | * | trans | -137.7 | 120 | 170.2 | 177.9 | 0 | 0 | 0 | 0 | 112.7 | V256 | V256-V258 HydrophobicContact CG1-CG2 4.33Š| ||
| 259 | S | 34.9 | Very low | 33.1 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | trans | -116.8 | 138.1 | 145.3 | -61.8 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 260 | P | 44.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 132.2 Ų | 132.2 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | -133.5 | 154.5 | 119.7 | 12.8 | 9.3 | 0 | 0 | 0 | 110.7 | |||||
| 261 | R | 29.4 | Very low | 33.5 | Very low | 234 Ų | 234 | 126.6 Ų | 126.6 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | cis | 84.2 | 134.7 | 37.5 | -160.9 | 178.3 | -174 | 178.6 | 2.5 | 113.5 | ||||
| 262 | S | 38.2 | Very low | 33.4 | Very low | 110 Ų | 110 | 126.1 Ų | 126.1 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | -58.9 | 150.4 | -173.2 | 54.1 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 263 | S | 36 | Very low | 33.3 | Very low | 101 Ų | 101 | 123.6 Ų | 123.6 | 71% | 0.706 | 79% | 0.789 | S | S | * | * | trans | -151.6 | 150.7 | 176 | -74.3 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 264 | F | 34.1 | Very low | 33.2 | Very low | 181 Ų | 181 | 120 Ų | 120 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | cis | -161.1 | 148.4 | -9.1 | -133.4 | -73.8 | 0 | 0 | 0 | 108.6 | ||||
| 265 | A | 31.6 | Very low | 33.3 | Very low | 102 Ų | 102 | 116.2 Ų | 116.2 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | trans | -158.7 | 98.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 266 | S | 36 | Very low | 33.6 | Very low | 95 Ų | 95 | 117.7 Ų | 117.7 | 66% | 0.664 | 81% | 0.808 | S | S | * | * | trans | -69.9 | 169.5 | 169.6 | -52.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 267 | S | 38.6 | Very low | 34.5 | Very low | 105 Ų | 105 | 116.5 Ų | 116.5 | 73% | 0.734 | 80% | 0.803 | S | S | * | * | cis | -165.2 | 173.4 | -11.7 | -99.5 | 0 | 0 | 0 | 0 | 105.8 | ||||
| 268 | T | 34.6 | Very low | 34.4 | Very low | 137 Ų | 137 | 116.6 Ų | 116.6 | 84% | 0.84 | 80% | 0.803 | S | S | * | * | -169.4 | 161.9 | 59 | 43.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 269 | A | 33.7 | Very low | 34.4 | Very low | 85 Ų | 85 | 113.9 Ų | 113.9 | 70% | 0.702 | 80% | 0.8 | S | S | * | * | trans | -21.5 | 138.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 270 | S | 36.5 | Very low | 34.4 | Very low | 128 Ų | 128 | 114.2 Ų | 114.2 | 90% | 0.895 | 80% | 0.802 | S | S | * | * | 72.4 | 138.8 | 126 | -61.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 271 | G | 29.8 | Very low | 34 | Very low | 85 Ų | 85 | 120.5 Ų | 120.5 | 88% | 0.876 | 81% | 0.812 | S | S | * | * | trans | 128.2 | 120.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 272 | G | 29.2 | Very low | 34 | Very low | 88 Ų | 88 | 115 Ų | 115 | 91% | 0.907 | 81% | 0.808 | S | S | * | * | trans | -113.7 | 154.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 273 | G | 28.3 | Very low | 33.9 | Very low | 86 Ų | 86 | 114.1 Ų | 114.1 | 89% | 0.887 | 80% | 0.802 | S | S | * | * | trans | 175.8 | 145.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 274 | G | 28.9 | Very low | 34.2 | Very low | 84 Ų | 84 | 114.1 Ų | 114.1 | 87% | 0.866 | 80% | 0.802 | S | S | * | * | trans | -105 | 170.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 275 | G | 28.6 | Very low | 34.4 | Very low | 77 Ų | 77 | 111.5 Ų | 111.5 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | trans | 105.1 | 110.7 | 166.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 276 | S | 37.3 | Very low | 34.7 | Very low | 120 Ų | 120 | 116.9 Ų | 116.9 | 84% | 0.839 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 152.2 | 145.2 | -49.6 | 0 | 0 | 0 | 0 | 108 | ||||
| 277 | P | 50.2 | Low | 34.7 | Very low | 109 Ų | 109 | 117.7 Ų | 117.7 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | -148.3 | 164.6 | 95.4 | 39.6 | -25.2 | 0 | 0 | 0 | 114.9 | |||||
| 278 | I | 32.1 | Very low | 34.6 | Very low | 175 Ų | 175 | 117.5 Ų | 117.5 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | trans | 58.2 | 129.1 | 153.4 | -69.7 | 164.3 | 0 | 0 | 0 | 117.4 | ||||
| 279 | G | 30.7 | Very low | 34.5 | Very low | 64 Ų | 64 | 114.7 Ų | 114.7 | 66% | 0.66 | 79% | 0.792 | S | S | * | * | cis | 148.5 | 149.4 | -5.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 280 | S | 34.8 | Very low | 34.5 | Very low | 127 Ų | 127 | 117.7 Ų | 117.7 | 89% | 0.888 | 80% | 0.795 | S | S | * | * | trans | -172.1 | 157.8 | 153.8 | -86.9 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 281 | R | 35.2 | Very low | 34.6 | Very low | 238 Ų | 238 | 117.2 Ų | 117.2 | 90% | 0.898 | 79% | 0.792 | S | S | * | * | trans | -111.3 | 179 | 178.5 | -56.5 | 175.7 | -179.4 | -167.3 | -0.2 | 108.1 | ||||
| 282 | C | 30.4 | Very low | 34.8 | Very low | 119 Ų | 119 | 121.4 Ų | 121.4 | 80% | 0.804 | 79% | 0.793 | S | S | * | * | cis | -145.7 | -168.6 | 13.6 | -46 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 283 | S | 36.1 | Very low | 34.9 | Very low | 91 Ų | 91 | 120.8 Ų | 120.8 | 64% | 0.636 | 79% | 0.786 | S | S | * | * | cis | -163.7 | 143.7 | -0.9 | 114 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 284 | S | 41.4 | Very low | 35 | Very low | 101 Ų | 101 | 126.9 Ų | 126.9 | 71% | 0.706 | 78% | 0.784 | S | S | * | * | trans | 63.5 | 149.7 | 140.5 | -41.8 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 285 | N | 38.1 | Very low | 35.1 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 67% | 0.668 | 78% | 0.78 | S | S | * | * | cis | -157.8 | 142.7 | -0.4 | -134.4 | -16.1 | 0 | 0 | 0 | 113.6 | ||||
| 286 | R | 38 | Very low | 35.2 | Very low | 215 Ų | 215 | 129.6 Ų | 129.6 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 54 | 149.8 | 139.9 | -85.9 | 176.8 | 171.6 | 179.9 | -3.8 | 121.6 | ||||
| 287 | T | 36 | Very low | 34.9 | Very low | 113 Ų | 113 | 134.7 Ų | 134.7 | 69% | 0.693 | 77% | 0.768 | S | S | * | * | cis | -144.1 | 133.3 | 9 | -26 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 288 | S | 36.8 | Very low | 33.8 | Very low | 101 Ų | 101 | 139.6 Ų | 139.6 | 71% | 0.706 | 77% | 0.773 | S | S | * | * | trans | 34 | 111.7 | 149.8 | 62.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 289 | G | 32.8 | Very low | 33.7 | Very low | 77 Ų | 77 | 136.5 Ų | 136.5 | 79% | 0.794 | 77% | 0.767 | S | S | * | * | -111.4 | 158.1 | 122.9 | 0 | 0 | 0 | 0 | 0 | 109 | |||||
| 290 | I | 32.3 | Very low | 33.4 | Very low | 148 Ų | 148 | 138.5 Ų | 138.5 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | -139.5 | 129.7 | 171.8 | -60 | -179.5 | 0 | 0 | 0 | 109.9 | L292 | I290-L292 HydrophobicContact CG2-CG 4.36Š| ||
| 291 | S | 38.8 | Very low | 33.2 | Very low | 119 Ų | 119 | 138.2 Ų | 138.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | trans | -116.2 | 137.6 | 161.1 | -55.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 292 | L | 33.8 | Very low | 32.7 | Very low | 173 Ų | 173 | 133.3 Ų | 133.3 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | trans | -137.8 | 153.4 | 166.4 | -84 | 173.3 | 0 | 0 | 0 | 109.3 | I290 | I290-L292 HydrophobicContact CG2-CG 4.36Š| ||
| 293 | G | 32.3 | Very low | 32.5 | Very low | 74 Ų | 74 | 135.6 Ų | 135.6 | 76% | 0.763 | 76% | 0.759 | S | S | * | * | trans | -106.5 | -161.2 | -164.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 294 | Y | 30.3 | Very low | 32.3 | Very low | 215 Ų | 215 | 139.6 Ų | 139.6 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | -39.6 | 151.5 | 171.6 | -97.7 | -118.6 | 0 | 0 | 0 | 113.6 | ||||
| 295 | D | 31.3 | Very low | 31.6 | Very low | 143 Ų | 143 | 143.8 Ų | 143.8 | 77% | 0.765 | 78% | 0.777 | S | S | * | * | -147.2 | -155.1 | 54.4 | -147.3 | -45.7 | 0 | 0 | 0 | 114.8 | |||||
| 296 | S | 30.9 | Very low | 31.6 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 52% | 0.524 | 78% | 0.775 | S | S | . | * | trans | -102.7 | 171 | -147.4 | -57 | 0 | 0 | 0 | 0 | 117 | ||||
| 297 | R | 30.2 | Very low | 31 | Very low | 227 Ų | 227 | 141 Ų | 141 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | 77.3 | 119.9 | 167 | -41.3 | 177 | -146.5 | -151.9 | 5 | 113.4 | ||||
| 298 | Y | 27.4 | Very low | 30.8 | Very low | 211 Ų | 211 | 144.8 Ų | 144.8 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | -157.4 | 150.1 | 67 | -123.5 | -89.9 | 0 | 0 | 0 | 113.8 | V300 | Y298-V300 HydrophobicContact CD1-CG2 3.73Å; Y298-V300 HydrophobicContact CE1-CG2 4.5Å; Y298-V300 HydrophobicContact CG-CG2 4.43Å | |||
| 299 | S | 29.3 | Very low | 30.4 | Very low | 110 Ų | 110 | 145.2 Ų | 145.2 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | -98.6 | 122.7 | 162.7 | 53.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 300 | V | 25.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 145.6 Ų | 145.6 | 65% | 0.648 | 80% | 0.803 | S | S | * | * | trans | -132.7 | 109.9 | 174.3 | -175.5 | 0 | 0 | 0 | 0 | 110.5 | Y298 V302 | Y298-V300 HydrophobicContact CD1-CG2 3.73Å; Y298-V300 HydrophobicContact CE1-CG2 4.5Å; Y298-V300 HydrophobicContact CG-CG2 4.43Å; V300-V302 HydrophobicContact CG1-CG2 3.89Å | ||
| 301 | S | 29.3 | Very low | 29.9 | Very low | 120 Ų | 120 | 142.2 Ų | 142.2 | 84% | 0.839 | 80% | 0.804 | S | S | * | * | trans | -75.3 | 134.3 | 156.2 | 39.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 302 | V | 26 | Very low | 29.6 | Very low | 136 Ų | 136 | 142.5 Ų | 142.5 | 82% | 0.824 | 81% | 0.807 | S | S | * | * | trans | -113 | 100.3 | 170.6 | -177.6 | 0 | 0 | 0 | 0 | 109 | V300 | V300-V302 HydrophobicContact CG1-CG2 3.89Š| ||
| 303 | Q | 26.8 | Very low | 29.5 | Very low | 166 Ų | 166 | 138.7 Ų | 138.7 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | trans | -82.2 | 160.9 | 161.9 | -173.4 | 169.1 | -18 | 0 | 0 | 109.3 | ||||
| 304 | Q | 30 | Very low | 29.6 | Very low | 175 Ų | 175 | 140.4 Ų | 140.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -44.5 | 141.2 | -176.7 | -60.5 | 150.6 | -40.8 | 0 | 0 | 114.8 | ||||
| 305 | Q | 27.3 | Very low | 29.6 | Very low | 189 Ų | 189 | 132.9 Ų | 132.9 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -143.3 | 159.1 | 151.3 | -89.1 | -134.4 | -24.2 | 0 | 0 | 111.7 | ||||
| 306 | P | 38.4 | Very low | 29.8 | Very low | 98 Ų | 98 | 137.9 Ų | 137.9 | 64% | 0.636 | 80% | 0.804 | S | S | * | * | trans | -102.1 | 169.9 | -156.5 | 39.6 | -36.4 | 0 | 0 | 0 | 114.4 | ||||
| 307 | M | 26.4 | Very low | 29.8 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 91% | 0.906 | 81% | 0.814 | S | S | * | * | trans | -133.2 | 140.4 | 163.1 | -64.5 | -65.4 | 155.3 | 0 | 0 | 109.7 | ||||
| 308 | Q | 30 | Very low | 30.5 | Very low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | trans | -123.9 | 160.8 | 176.5 | -91.7 | -166.5 | -12.4 | 0 | 0 | 111.7 | ||||
| 309 | A | 30.1 | Very low | 31.7 | Very low | 110 Ų | 110 | 129 Ų | 129 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | 99.1 | 123.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 310 | G | 25.9 | Very low | 31.6 | Very low | 85 Ų | 85 | 127.7 Ų | 127.7 | 88% | 0.876 | 82% | 0.816 | S | S | * | * | trans | 137.7 | 92.7 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 311 | G | 27.1 | Very low | 31.9 | Very low | 76 Ų | 76 | 134.4 Ų | 134.4 | 78% | 0.784 | 83% | 0.83 | S | S | * | * | trans | 121.1 | 98 | 152.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 312 | S | 33.9 | Very low | 31.9 | Very low | 126 Ų | 126 | 133.6 Ų | 133.6 | 88% | 0.881 | 83% | 0.831 | S | S | * | * | trans | -8.3 | 152.4 | 141.1 | -56 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 313 | A | 31.3 | Very low | 31.9 | Very low | 92 Ų | 92 | 130.5 Ų | 130.5 | 76% | 0.76 | 83% | 0.826 | S | S | * | * | cis | -169.6 | 167.7 | -4.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 314 | A | 33.9 | Very low | 32.1 | Very low | 110 Ų | 110 | 129.5 Ų | 129.5 | 91% | 0.909 | 83% | 0.831 | S | S | * | * | trans | 65.9 | 148 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 315 | G | 30.9 | Very low | 32.1 | Very low | 57 Ų | 57 | 127.2 Ų | 127.2 | 59% | 0.588 | 83% | 0.83 | S | S | * | * | cis | 168.8 | 137.7 | -11.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 316 | Y | 35.4 | Very low | 32.1 | Very low | 249 Ų | 249 | 123.1 Ų | 123.1 | 98% | 0.976 | 83% | 0.828 | S | S | * | * | trans | 64.3 | 153.2 | -179.8 | -45.6 | -84 | 0 | 0 | 0 | 115.6 | ||||
| 317 | G | 30.3 | Very low | 31.6 | Very low | 71 Ų | 71 | 123.3 Ų | 123.3 | 73% | 0.732 | 84% | 0.838 | S | S | * | * | cis | -169.4 | 158.9 | -9 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 318 | P | 46.1 | Very low | 31.9 | Very low | 129 Ų | 129 | 123.9 Ų | 123.9 | 84% | 0.838 | 84% | 0.838 | S | S | * | * | trans | -112.5 | -163 | -163.6 | 45.8 | -37.6 | 0 | 0 | 0 | 113.4 | ||||
| 319 | P | 51.7 | Low | 32 | Very low | 127 Ų | 127 | 118.8 Ų | 118.8 | 83% | 0.825 | 83% | 0.829 | S | S | * | * | cis | -133.6 | -176 | -8 | 42.9 | -26.1 | 0 | 0 | 0 | 115.4 | ||||
| 320 | G | 28.1 | Very low | 31.7 | Very low | 81 Ų | 81 | 125.7 Ų | 125.7 | 84% | 0.835 | 83% | 0.832 | S | S | * | * | trans | 178.2 | 121.6 | 165 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 321 | R | 30.8 | Very low | 31.9 | Very low | 248 Ų | 248 | 127.4 Ų | 127.4 | 94% | 0.936 | 83% | 0.826 | S | S | * | * | trans | -67.6 | 139.3 | -175.9 | -88.8 | 175.9 | 164.4 | 177.2 | -5 | 117.1 | ||||
| 322 | A | 29.1 | Very low | 31.9 | Very low | 103 Ų | 103 | 132.5 Ų | 132.5 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | 37.7 | 140.1 | 126.6 | 0 | 0 | 0 | 0 | 0 | 123.6 | |||||
| 323 | G | 27.3 | Very low | 31.6 | Very low | 71 Ų | 71 | 136.8 Ų | 136.8 | 73% | 0.732 | 83% | 0.827 | S | S | * | * | trans | 158.1 | 110.4 | 144.4 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 324 | V | 29.2 | Very low | 31.5 | Very low | 145 Ų | 145 | 139.7 Ų | 139.7 | 88% | 0.879 | 83% | 0.829 | S | S | * | * | trans | 68.4 | -172.5 | 145.2 | -166.7 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 325 | T | 30.1 | Very low | 31.2 | Very low | 128 Ų | 128 | 142.8 Ų | 142.8 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | trans | -131.7 | 171.6 | -135.9 | 52.2 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 326 | A | 27.2 | Very low | 31.1 | Very low | 102 Ų | 102 | 147 Ų | 147 | 84% | 0.843 | 84% | 0.84 | S | S | * | * | trans | 101.8 | 134.1 | 149.4 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 327 | A | 29.3 | Very low | 30.6 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 84% | 0.843 | 83% | 0.832 | S | S | * | * | trans | -159.5 | 111.6 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 328 | E | 32.7 | Very low | 30.3 | Very low | 196 Ų | 196 | 139.3 Ų | 139.3 | 92% | 0.916 | 84% | 0.836 | S | S | * | * | trans | -123 | 168.7 | 162.6 | -81.7 | -164 | 119.3 | 0 | 0 | 109 | ||||
| 329 | A | 30.6 | Very low | 29.5 | Very low | 86 Ų | 86 | 144.2 Ų | 144.2 | 71% | 0.711 | 84% | 0.838 | S | S | * | * | trans | 62.3 | 115.1 | 165.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 330 | W | 25.4 | Very low | 29 | Very low | 255 Ų | 255 | 144.4 Ų | 144.4 | 97% | 0.966 | 84% | 0.839 | S | S | * | * | trans | -144.3 | 134.7 | 141.3 | -88 | 99.6 | 0 | 0 | 0 | 109.4 | ||||
| 331 | T | 30.1 | Very low | 28.9 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 83% | 0.829 | S | S | * | * | trans | -146.1 | 150.5 | 178.6 | 27.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 332 | Q | 27.3 | Very low | 29.6 | Very low | 183 Ų | 183 | 138 Ų | 138 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | 62.7 | 127.9 | 167.5 | -63.6 | 172.2 | -10.9 | 0 | 0 | 118 | ||||
| 333 | Y | 26.7 | Very low | 29.6 | Very low | 215 Ų | 215 | 143.8 Ų | 143.8 | 84% | 0.843 | 83% | 0.827 | S | S | * | * | trans | -158.4 | 112.3 | 130.3 | -125.4 | -85.7 | 0 | 0 | 0 | 112.2 | ||||
| 334 | L | 29.3 | Very low | 29.7 | Very low | 153 Ų | 153 | 145.9 Ų | 145.9 | 80% | 0.801 | 82% | 0.822 | S | S | * | * | trans | 55.5 | 144.7 | 157.7 | -67 | 177.7 | 0 | 0 | 0 | 124.2 | ||||
| 335 | E | 28.1 | Very low | 29.6 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -88.6 | 164.7 | 165.3 | -54.1 | 156.1 | 99 | 0 | 0 | 111.5 | ||||
| 336 | T | 28.3 | Very low | 29.6 | Very low | 147 Ų | 147 | 147.1 Ų | 147.1 | 90% | 0.902 | 81% | 0.811 | S | S | * | * | -177.6 | 143 | 127.7 | -68.9 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 337 | G | 24.8 | Very low | 29.9 | Very low | 78 Ų | 78 | 150.3 Ų | 150.3 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | -105.9 | 170.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 338 | G | 23.9 | Very low | 30 | Very low | 80 Ų | 80 | 150.2 Ų | 150.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | trans | -174 | 141.4 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 339 | R | 29.6 | Very low | 29.9 | Very low | 231 Ų | 231 | 151.3 Ų | 151.3 | 87% | 0.872 | 80% | 0.799 | S | S | * | * | trans | -158.2 | 157.6 | 170.4 | -102.4 | -173.8 | -176.5 | -96.7 | 2.7 | 106.7 | ||||
| 340 | P | 41.3 | Very low | 30.3 | Very low | 132 Ų | 132 | 152 Ų | 152 | 86% | 0.857 | 80% | 0.796 | S | S | * | * | cis | -145 | -169 | 45.7 | 41.2 | -20.4 | 0 | 0 | 0 | 115.7 | ||||
| 341 | G | 26.7 | Very low | 30.8 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 79% | 0.788 | S | S | * | * | trans | 162.1 | 135.1 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 342 | P | 45.1 | Very low | 31 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -128.3 | 154.6 | -170.6 | 41.4 | -28.6 | 0 | 0 | 0 | 117.6 | ||||
| 343 | Y | 28.8 | Very low | 31.2 | Very low | 224 Ų | 224 | 143 Ų | 143 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | trans | -160.6 | 171.2 | 134.4 | -166.8 | -113.1 | 0 | 0 | 0 | 110.5 | ||||
| 344 | D | 28.2 | Very low | 31.2 | Very low | 115 Ų | 115 | 136.2 Ų | 136.2 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | trans | -126.3 | 150.7 | -162.1 | -171.8 | -7.2 | 0 | 0 | 0 | 112.2 | ||||
| 345 | S | 29 | Very low | 31.3 | Very low | 99 Ų | 99 | 134.6 Ų | 134.6 | 69% | 0.692 | 79% | 0.792 | S | S | * | * | trans | -175.2 | 91.2 | 147.6 | -83.4 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 346 | R | 29.3 | Very low | 31.7 | Very low | 199 Ų | 199 | 132.5 Ų | 132.5 | 75% | 0.751 | 79% | 0.793 | S | S | * | * | trans | 43.8 | 107.3 | 131.8 | -51 | 175.7 | -174 | -152.1 | -1 | 120.2 | ||||
| 347 | H | 32.6 | Very low | 31.7 | Very low | 170 Ų | 170 | 130.1 Ų | 130.1 | 79% | 0.787 | 79% | 0.789 | S | S | * | * | 169.8 | 127.1 | 98.2 | -89.1 | -67.1 | 0 | 0 | 0 | 114 | |||||
| 348 | S | 32.1 | Very low | 32 | Very low | 100 Ų | 100 | 130.9 Ų | 130.9 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | 2.8 | 143.6 | 153.5 | -49.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 349 | Y | 30.6 | Very low | 32.3 | Very low | 218 Ų | 218 | 132.2 Ų | 132.2 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | cis | -164.1 | -172.2 | -9 | -125.3 | -47.5 | 0 | 0 | 0 | 108.8 | ||||
| 350 | P | 38.9 | Very low | 32.5 | Very low | 100 Ų | 100 | 126.5 Ų | 126.5 | 65% | 0.649 | 79% | 0.785 | S | S | * | * | -107.1 | 162 | -128.5 | 41.7 | -30.1 | 0 | 0 | 0 | 117 | |||||
| 351 | P | 35.9 | Very low | 31.9 | Very low | 122 Ų | 122 | 131.4 Ų | 131.4 | 79% | 0.792 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 155.8 | 158.3 | 33.9 | -34.1 | 0 | 0 | 0 | 111.8 | ||
| 352 | A | 33.8 | Very low | 32.1 | Very low | 105 Ų | 105 | 137.8 Ų | 137.8 | 87% | 0.868 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.5 | 151.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 353 | V | 31.5 | Very low | 31.2 | Very low | 144 Ų | 144 | 135.5 Ų | 135.5 | 87% | 0.873 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 137.9 | -178 | -71.3 | 0 | 0 | 0 | 0 | 113.1 | ||
| 354 | G | 27.6 | Very low | 31.1 | Very low | 74 Ų | 74 | 128.3 Ų | 128.3 | 76% | 0.763 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -101.8 | 136.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||
| 355 | S | 30.2 | Very low | 32.1 | Very low | 119 Ų | 119 | 128.8 Ų | 128.8 | 83% | 0.832 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 148.4 | 177.7 | -64.2 | 0 | 0 | 0 | 0 | 112 | ||
| 356 | P | 36.3 | Very low | 32 | Very low | 130 Ų | 130 | 132.3 Ų | 132.3 | 84% | 0.844 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 165.2 | -174.4 | 33.7 | -37.3 | 0 | 0 | 0 | 113.3 | ||
| 357 | A | 28.4 | Very low | 31.9 | Very low | 98 Ų | 98 | 132 Ų | 132 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -128.4 | 160.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 358 | A | 32 | Very low | 31.8 | Very low | 93 Ų | 93 | 136 Ų | 136 | 77% | 0.769 | 82% | 0.819 | S | S | * | * | trans | 63.2 | 105.5 | 171.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 359 | A | 30.2 | Very low | 31.5 | Very low | 109 Ų | 109 | 139.2 Ų | 139.2 | 90% | 0.901 | 82% | 0.822 | S | S | * | * | trans | -113 | 126.7 | 134.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 360 | C | 32.7 | Very low | 31.7 | Very low | 110 Ų | 110 | 134.7 Ų | 134.7 | 74% | 0.743 | 81% | 0.813 | S | S | * | * | trans | -101.4 | 142.2 | -177.5 | -58.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 361 | Y | 28.8 | Very low | 31.1 | Very low | 236 Ų | 236 | 139.3 Ų | 139.3 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | -145.1 | 144.9 | 149.9 | -116.3 | -82.4 | 0 | 0 | 0 | 110.4 | ||||
| 362 | Q | 32 | Very low | 30.7 | Very low | 194 Ų | 194 | 141.9 Ų | 141.9 | 91% | 0.907 | 82% | 0.824 | S | S | * | * | trans | -95.4 | 149.7 | 177 | -67.3 | 174.5 | -39.2 | 0 | 0 | 110.2 | ||||
| 363 | G | 26.7 | Very low | 30.3 | Very low | 86 Ų | 86 | 141.5 Ų | 141.5 | 89% | 0.887 | 82% | 0.821 | S | S | * | * | trans | 165.6 | 109.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 364 | G | 26.1 | Very low | 30.1 | Very low | 73 Ų | 73 | 139.2 Ų | 139.2 | 75% | 0.753 | 82% | 0.817 | S | S | * | * | trans | -156.7 | -165 | 163.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 365 | P | 49.6 | Very low | 30.1 | Very low | 126 Ų | 126 | 148 Ų | 148 | 82% | 0.818 | 83% | 0.827 | S | S | * | * | cis | -125.4 | 147.2 | -6.9 | 37.9 | -24.3 | 0 | 0 | 0 | 112.4 | ||||
| 366 | E | 26.8 | Very low | 29.9 | Very low | 173 Ų | 173 | 146.1 Ų | 146.1 | 81% | 0.808 | 83% | 0.827 | S | S | * | * | trans | -154.7 | 152 | 171.6 | -127.9 | -172.9 | -173.2 | 0 | 0 | 115.2 | ||||
| 367 | W | 27.1 | Very low | 29.8 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 72% | 0.723 | 83% | 0.831 | S | S | * | * | trans | -4.1 | 144.1 | 177.6 | 58.7 | -48.4 | 0 | 0 | 0 | 123.3 | E369 | W367-E369 HydrophobicContact CE3-CB 4.03Å; W367-E369 HydrophobicContact CZ3-CB 4.21Å | ||
| 368 | W | 29.6 | Very low | 29.7 | Very low | 256 Ų | 256 | 154.9 Ų | 154.9 | 97% | 0.97 | 84% | 0.836 | S | S | * | * | trans | -93.3 | 135.6 | 154.3 | -76.9 | 49.1 | 0 | 0 | 0 | 109.4 | ||||
| 369 | E | 26.8 | Very low | 30.2 | Very low | 166 Ų | 166 | 155.1 Ų | 155.1 | 78% | 0.776 | 84% | 0.838 | S | S | * | * | trans | -149 | 155.9 | 154.1 | -133.1 | -175.4 | 175.8 | 0 | 0 | 111.7 | W367 | W367-E369 HydrophobicContact CE3-CB 4.03Å; W367-E369 HydrophobicContact CZ3-CB 4.21Å | ||
| 370 | D | 33.5 | Very low | 30.2 | Very low | 124 Ų | 124 | 154.8 Ų | 154.8 | 66% | 0.663 | 84% | 0.835 | S | S | * | * | trans | -93.5 | 133 | -170.6 | -173 | -15.4 | 0 | 0 | 0 | 112 | ||||
| 371 | K | 26.8 | Very low | 30.2 | Very low | 197 Ų | 197 | 160.7 Ų | 160.7 | 86% | 0.857 | 84% | 0.842 | S | S | * | * | trans | -158.6 | 118.8 | 146 | -111.3 | 142.8 | -166.8 | 157.6 | 0 | 114.8 | ||||
| 372 | Q | 28.2 | Very low | 30.5 | Very low | 175 Ų | 175 | 160 Ų | 160 | 82% | 0.818 | 84% | 0.839 | S | S | * | * | trans | -71.1 | 139.3 | 158.7 | -53.3 | 170.5 | 10.2 | 0 | 0 | 110.7 | ||||
| 373 | A | 25.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 156 Ų | 156 | 81% | 0.81 | 83% | 0.832 | S | S | * | * | trans | -178.5 | 118.1 | 133.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 374 | A | 27.2 | Very low | 31.6 | Very low | 95 Ų | 95 | 159.6 Ų | 159.6 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | 25.6 | 114.2 | 142.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 375 | R | 26.5 | Very low | 32.3 | Very low | 259 Ų | 259 | 162.5 Ų | 162.5 | 98% | 0.977 | 83% | 0.829 | S | S | * | * | -176.7 | 154.9 | 101.4 | -100.9 | -177.2 | 179.6 | -144.2 | 2 | 112.2 | |||||
| 376 | G | 26.4 | Very low | 32 | Very low | 79 Ų | 79 | 163.4 Ų | 163.4 | 81% | 0.814 | 84% | 0.835 | S | S | * | * | trans | 136.6 | 106.4 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 377 | K | 34.3 | Very low | 33.1 | Very low | 217 Ų | 217 | 157.7 Ų | 157.7 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -92.7 | 128.2 | 165.6 | -72.6 | -178.6 | 178.1 | -179.4 | 0 | 108.2 | ||||
| 378 | E | 27.3 | Very low | 34.2 | Very low | 196 Ų | 196 | 152.2 Ų | 152.2 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -144.4 | 138.3 | 151.1 | -160.3 | 159.9 | -136.5 | 0 | 0 | 110.2 | ||||
| 379 | A | 41.1 | Very low | 35.2 | Very low | 97 Ų | 97 | 149.7 Ų | 149.7 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -103.5 | 79.4 | -173.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 380 | A | 31.3 | Very low | 36.7 | Very low | 102 Ų | 102 | 150 Ų | 150 | 84% | 0.843 | 80% | 0.796 | S | S | * | * | trans | -71.6 | 150.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 381 | R | 33.3 | Very low | 37.4 | Very low | 234 Ų | 234 | 150.7 Ų | 150.7 | 88% | 0.883 | 80% | 0.795 | S | S | * | * | trans | -92 | 152.6 | -166.7 | -67 | -179.7 | 178.9 | 157.2 | 0.4 | 113.2 | S383 | R381-S383 PolarHBondContact O-N 3.5Š| ||
| 382 | Y | 34.7 | Very low | 38.9 | Very low | 223 Ų | 223 | 146.8 Ų | 146.8 | 88% | 0.875 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -60.2 | 96.1 | 165.6 | 178.6 | -89.4 | 0 | 0 | 0 | 110.1 | ||
| 383 | S | 43.3 | Very low | 40.8 | Very low | 108 Ų | 108 | 144.4 Ų | 144.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -170.3 | 37.5 | 172.3 | -118.1 | 0 | 0 | 0 | 0 | 115.6 | R381 | R381-S383 PolarHBondContact O-N 3.5Š| ||
| 384 | D | 38.6 | Very low | 42.6 | Very low | 163 Ų | 163 | 143.3 Ų | 143.3 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | -131.1 | 96.1 | 173.4 | -89.8 | -57 | 0 | 0 | 0 | 112.3 | ||||
| 385 | L | 39.4 | Very low | 44.6 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 70% | 0.696 | 73% | 0.733 | S | S | * | * | trans | -136.7 | 128.4 | 166.4 | -73.7 | 175.9 | 0 | 0 | 0 | 108.9 | G387 | L385-G387 PolarHBondContact O-N 2.92Š| ||
| 386 | P | 43.5 | Very low | 46.6 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 94% | 0.942 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.9 | 93.4 | -177.2 | 29 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 387 | G | 50.2 | Low | 48.7 | Very low | 53 Ų | 53 | 139.7 Ų | 139.7 | 55% | 0.546 | 70% | 0.704 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 176.6 | -33.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | L385 R389 | L385-G387 PolarHBondContact O-N 2.92Å; G387-R389 PolarHBondContact O-N 3.25Å |
| 388 | T | 50.1 | Low | 50.2 | Low | 77 Ų | 77 | 135 Ų | 135 | 47% | 0.472 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -64.7 | -39.2 | -172.7 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | Y390 Q391 E392 | T388-Y390 VanDerWaalsContact C-N 3.3Å; T388-Y390 PolarHBondContact O-N 3.38Å; T388-Q391 WeakPolarHBondContact O-CA 3.25Å; T388-Q391 WeakPolarHBondContact O-CB 3.23Å; T388-Q391 PolarHBondContact O-N 3Å; T388-E392 PolarHBondContact O-N 3.43Å |
| 389 | R | 51.8 | Low | 51.8 | Low | 203 Ų | 203 | 131.4 Ų | 131.4 | 77% | 0.766 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -55.3 | -39.1 | -170.5 | -147.1 | -177.4 | -145.3 | -112.7 | 9.1 | 114.2 | G387 E393 | G387-R389 PolarHBondContact O-N 3.25Å; R389-E393 PolarHBondContact O-N 3.49Å; R389-E393 VanDerWaalsContact O-N 3.15Å |
| 390 | Y | 58 | Low | 53.1 | Low | 172 Ų | 172 | 135.2 Ų | 135.2 | 68% | 0.675 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -70.8 | -37.5 | 177.5 | 179.3 | -109.7 | 0 | 0 | 0 | 112.1 | T388 E393 L394 | T388-Y390 VanDerWaalsContact C-N 3.3Å; T388-Y390 PolarHBondContact O-N 3.38Å; Y390-E393 PolarHBondContact O-N 3.23Å; Y390-L394 HydrophobicContact CD1-CD1 4.02Å; Y390-L394 HydrophobicContact CE1-CD1 3.49Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.49Å; Y390-L394 HydrophobicContact CE2-CD1 4.45Å; Y390-L394 PolarHBondContact O-N 3.19Å |
| 391 | Q | 48.1 | Very low | 54.4 | Low | 138 Ų | 138 | 133.8 Ų | 133.8 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -72.6 | -33.5 | 179.9 | -155.5 | 163.9 | -4.2 | 0 | 0 | 111.4 | T388 T395 | T388-Q391 WeakPolarHBondContact O-CA 3.25Å; T388-Q391 WeakPolarHBondContact O-CB 3.23Å; T388-Q391 PolarHBondContact O-N 3Å; Q391-T395 WeakPolarHBondContact O-CB 3.34Å; Q391-T395 PolarHBondContact O-N 2.86Å; Q391-T395 PolarHBondContact O-OG1 2.94Å |
| 392 | E | 58.1 | Low | 55.2 | Low | 115 Ų | 115 | 126 Ų | 126 | 54% | 0.537 | 63% | 0.633 | S | S | . | * | H | α-helix | trans | -68.8 | -40.4 | 172.1 | -71.6 | 172.4 | -171.4 | 0 | 0 | 112.6 | T388 T395 R396 | T388-E392 PolarHBondContact O-N 3.43Å; E392-T395 PolarHBondContact O-N 2.93Å; E392-R396 PolarHBondContact O-N 3.32Å |
| 393 | E | 67.9 | Low | 55.9 | Low | 126 Ų | 126 | 119.3 Ų | 119.3 | 59% | 0.589 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -66.2 | -42.9 | 173.5 | -76.3 | -156.8 | 139.6 | 0 | 0 | 112.4 | R389 Y390 T395 R396 L397 | R389-E393 PolarHBondContact O-N 3.49Å; R389-E393 VanDerWaalsContact O-N 3.15Å; Y390-E393 PolarHBondContact O-N 3.23Å; E393-T395 VanDerWaalsContact C-N 3.33Å; E393-T395 PolarHBondContact O-N 3.06Å; E393-R396 PolarHBondContact O-N 3.29Å; E393-L397 PolarHBondContact O-N 3.3Å |
| 394 | L | 62.9 | Low | 56.1 | Low | 74 Ų | 74 | 123.3 Ų | 123.3 | 39% | 0.387 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -57.9 | -44.6 | 172.1 | -93.7 | 164.5 | 0 | 0 | 0 | 112 | Y390 R396 L397 L398 | Y390-L394 HydrophobicContact CD1-CD1 4.02Å; Y390-L394 HydrophobicContact CE1-CD1 3.49Å; Y390-L394 VanDerWaalsContact CE1-CD1 3.49Å; Y390-L394 HydrophobicContact CE2-CD1 4.45Å; Y390-L394 PolarHBondContact O-N 3.19Å; L394-R396 VanDerWaalsContact C-N 3.34Å; L394-R396 PolarHBondContact O-N 2.88Å; L394-L397 PolarHBondContact O-N 2.93Å; L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.1Å |
| 395 | T | 69.8 | Low | 56.6 | Low | 76 Ų | 76 | 124.4 Ų | 124.4 | 47% | 0.466 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -62.7 | -40.1 | 176.4 | -55.3 | 0 | 0 | 0 | 0 | 111.5 | Q391 E392 E393 L399 | Q391-T395 WeakPolarHBondContact O-CB 3.34Å; Q391-T395 PolarHBondContact O-N 2.86Å; Q391-T395 PolarHBondContact O-OG1 2.94Å; E392-T395 PolarHBondContact O-N 2.93Å; E393-T395 VanDerWaalsContact C-N 3.33Å; E393-T395 PolarHBondContact O-N 3.06Å; T395-L399 HydrophobicContact CG2-CD1 4.29Å; T395-L399 PolarHBondContact O-N 3.17Å |
| 396 | R | 69.3 | Low | 57 | Low | 200 Ų | 200 | 121.4 Ų | 121.4 | 76% | 0.755 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -67.6 | -36.9 | 175.6 | -82.7 | -178 | 165.6 | 171.2 | -1.3 | 113.4 | E392 E393 L394 R400 | E392-R396 PolarHBondContact O-N 3.32Å; E393-R396 PolarHBondContact O-N 3.29Å; L394-R396 VanDerWaalsContact C-N 3.34Å; L394-R396 PolarHBondContact O-N 2.88Å; R396-R400 WeakPolarHBondContact O-CB 3.39Å; R396-R400 PolarHBondContact O-N 3.28Å; R396-R400 VanDerWaalsContact O-N 3.07Å |
| 397 | L | 68.8 | Low | 56.4 | Low | 81 Ų | 81 | 118.3 Ų | 118.3 | 42% | 0.424 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -64.6 | -49.2 | 174.7 | -80.6 | 161.7 | 0 | 0 | 0 | 110.8 | E393 L394 L399 R400 D401 | E393-L397 PolarHBondContact O-N 3.3Å; L394-L397 PolarHBondContact O-N 2.93Å; L397-L399 PolarHBondContact O-N 3.38Å; L397-R400 PolarHBondContact O-N 2.74Å; L397-D401 PolarHBondContact O-N 2.92Å |
| 398 | L | 66.8 | Low | 55.4 | Low | 118 Ų | 118 | 119.7 Ų | 119.7 | 62% | 0.618 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -60 | -41.3 | 177.6 | -69.9 | 168 | 0 | 0 | 0 | 112.7 | L394 R400 A402 | L394-L398 WeakPolarHBondContact O-CG 3.44Å; L394-L398 PolarHBondContact O-N 3.1Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-R400 PolarHBondContact O-N 3.08Å; L398-A402 WeakPolarHBondContact O-CB 3.49Å; L398-A402 PolarHBondContact O-N 2.94Å |
| 399 | L | 61.5 | Low | 54.5 | Low | 122 Ų | 122 | 123.5 Ų | 123.5 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.7 | -34.4 | 173.4 | -103 | 69.5 | 0 | 0 | 0 | 112.8 | T395 L397 A403 | T395-L399 HydrophobicContact CG2-CD1 4.29Å; T395-L399 PolarHBondContact O-N 3.17Å; L397-L399 PolarHBondContact O-N 3.38Å; L399-A403 WeakPolarHBondContact O-CB 3.25Å; L399-A403 PolarHBondContact O-N 2.85Å |
| 400 | R | 66.8 | Low | 53.5 | Low | 177 Ų | 177 | 121.4 Ų | 121.4 | 67% | 0.668 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -73.1 | -35.2 | -179.7 | -170.5 | 172.5 | 68.6 | 170.5 | -0 | 112.6 | R396 L397 L398 | R396-R400 WeakPolarHBondContact O-CB 3.39Å; R396-R400 PolarHBondContact O-N 3.28Å; R396-R400 VanDerWaalsContact O-N 3.07Å; L397-R400 PolarHBondContact O-N 2.74Å; L398-R400 VanDerWaalsContact C-N 3.32Å; L398-R400 PolarHBondContact O-N 3.08Å |
| 401 | D | 58.8 | Low | 52.1 | Low | 72 Ų | 72 | 122.9 Ų | 122.9 | 39% | 0.385 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -73.8 | -40.4 | 173.5 | -76.6 | -48.8 | 0 | 0 | 0 | 111.7 | L397 A403 R404 | L397-D401 PolarHBondContact O-N 2.92Å; D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.82Å; D401-R404 WeakPolarHBondContact O-CB 3.38Å; D401-R404 PolarHBondContact O-N 3.02Å; D401-R404 IonicContact OD1-CZ 3.6Å; D401-R404 IonicContact OD1-NE 3.8Å; D401-R404 IonicContact OD1-NH2 2.78Å; D401-R404 PolarHBondContact OD1-NH2 3.46Å |
| 402 | A | 51.2 | Low | 51.2 | Low | 71 Ų | 71 | 119.8 Ų | 119.8 | 59% | 0.587 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -59 | -36.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L398 R404 | L398-A402 WeakPolarHBondContact O-CB 3.49Å; L398-A402 PolarHBondContact O-N 2.94Å; A402-R404 PolarHBondContact O-N 2.67Å |
| 403 | A | 48.8 | Very low | 49.8 | Very low | 81 Ų | 81 | 122.4 Ų | 122.4 | 67% | 0.669 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -69.8 | -10 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | L399 D401 | L399-A403 WeakPolarHBondContact O-CB 3.25Å; L399-A403 PolarHBondContact O-N 2.85Å; D401-A403 VanDerWaalsContact C-N 3.27Å; D401-A403 PolarHBondContact O-N 2.82Å |
| 404 | R | 48.5 | Very low | 47.9 | Very low | 193 Ų | 193 | 127.4 Ų | 127.4 | 73% | 0.728 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -99.4 | -18.5 | -177.7 | -168.5 | 171 | 55.3 | 162.6 | -8.3 | 114 | D401 A402 | D401-R404 WeakPolarHBondContact O-CB 3.38Å; D401-R404 PolarHBondContact O-N 3.02Å; D401-R404 IonicContact OD1-CZ 3.6Å; D401-R404 IonicContact OD1-NE 3.8Å; D401-R404 IonicContact OD1-NH2 2.78Å; D401-R404 PolarHBondContact OD1-NH2 3.46Å; A402-R404 PolarHBondContact O-N 2.67Å |
| 405 | E | 47.7 | Very low | 46.1 | Very low | 185 Ų | 185 | 130.5 Ų | 130.5 | 86% | 0.864 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -93.4 | -10.1 | 175.4 | -61.3 | -162.9 | 144.2 | 0 | 0 | 113.4 | G407 | E405-G407 PolarHBondContact O-N 2.78Å |
| 406 | G | 47.5 | Very low | 43.9 | Very low | 70 Ų | 70 | 136.1 Ų | 136.1 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -94.9 | 70.8 | -175.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 407 | G | 32 | Very low | 41.8 | Very low | 81 Ų | 81 | 132.5 Ų | 132.5 | 84% | 0.835 | 73% | 0.73 | S | S | * | * | trans | 175.8 | 123.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 117.4 | E405 | E405-G407 PolarHBondContact O-N 2.78Š| ||
| 408 | G | 29.9 | Very low | 39.8 | Very low | 81 Ų | 81 | 136.4 Ų | 136.4 | 84% | 0.835 | 75% | 0.746 | S | S | * | * | trans | 128.6 | 76.9 | 160.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 409 | L | 30.1 | Very low | 38.2 | Very low | 157 Ų | 157 | 136.5 Ų | 136.5 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | -146.8 | 133.8 | 163.4 | -154.7 | 85.2 | 0 | 0 | 0 | 111.9 | ||||
| 410 | L | 32 | Very low | 36.6 | Very low | 160 Ų | 160 | 137.2 Ų | 137.2 | 84% | 0.838 | 76% | 0.757 | S | S | * | * | trans | 66.3 | 110.1 | 170.2 | -48.7 | -174.5 | 0 | 0 | 0 | 119.1 | ||||
| 411 | E | 28.7 | Very low | 35 | Very low | 203 Ų | 203 | 134.6 Ų | 134.6 | 95% | 0.949 | 76% | 0.763 | S | S | * | * | -150.9 | 153.9 | 129.7 | -157.7 | 168.1 | -155.9 | 0 | 0 | 109.9 | |||||
| 412 | G | 27.8 | Very low | 33.6 | Very low | 73 Ų | 73 | 135.9 Ų | 135.9 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | trans | 107.2 | 108.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 413 | L | 29.3 | Very low | 33.3 | Very low | 169 Ų | 169 | 138.5 Ų | 138.5 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | trans | -120 | 138.4 | 166.5 | -74.3 | 169.6 | 0 | 0 | 0 | 109.9 | ||||
| 414 | R | 27.4 | Very low | 32.1 | Very low | 231 Ų | 231 | 137.6 Ų | 137.6 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | trans | 166.6 | 165.6 | 131.6 | -87.5 | -72.5 | 171.9 | 174.5 | -2.4 | 113.1 | ||||
| 415 | L | 25.5 | Very low | 31.2 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 73% | 0.733 | 80% | 0.796 | S | S | * | * | trans | -72.7 | 153.2 | -166.9 | -65.1 | 63.3 | 0 | 0 | 0 | 115.3 | ||||
| 416 | K | 24 | Very low | 30.2 | Very low | 193 Ų | 193 | 130.4 Ų | 130.4 | 84% | 0.839 | 79% | 0.786 | S | S | * | * | -155.4 | 168.6 | 127.9 | -149.6 | 59.1 | -179.6 | 125.9 | 0 | 112.5 | |||||
| 417 | D | 25.6 | Very low | 29.2 | Very low | 125 Ų | 125 | 133 Ų | 133 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | trans | -74.4 | 173.3 | -156.9 | -55.4 | -97.7 | 0 | 0 | 0 | 119.1 | ||||
| 418 | Q | 26.9 | Very low | 29.1 | Very low | 163 Ų | 163 | 133.2 Ų | 133.2 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 160.2 | 164.6 | -150 | -169.7 | 61.7 | 0 | 0 | 110.9 | ||||
| 419 | P | 31.9 | Very low | 29 | Very low | 120 Ų | 120 | 136 Ų | 136 | 78% | 0.779 | 79% | 0.788 | S | S | * | * | -149.2 | 171.6 | 96.8 | 38.2 | -20.6 | 0 | 0 | 0 | 116.6 | |||||
| 420 | L | 29.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 131.5 Ų | 131.5 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -72.8 | 161.3 | 168.6 | -97.6 | 156.7 | 0 | 0 | 0 | 111.9 | ||||
| 421 | P | 31.8 | Very low | 29.6 | Very low | 122 Ų | 122 | 129.7 Ų | 129.7 | 79% | 0.792 | 78% | 0.778 | S | S | * | * | -150.5 | 178.6 | 66.9 | 42 | -21.5 | 0 | 0 | 0 | 118.5 | |||||
| 422 | S | 30.1 | Very low | 29.6 | Very low | 99 Ų | 99 | 126.4 Ų | 126.4 | 69% | 0.692 | 77% | 0.772 | S | S | * | * | trans | -101.5 | -165.9 | 166.9 | 65 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 423 | P | 44.1 | Very low | 29.8 | Very low | 126 Ų | 126 | 134 Ų | 134 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | -137.8 | -172.1 | 5.6 | 44 | -25.4 | 0 | 0 | 0 | 115.9 | ||||
| 424 | G | 25.2 | Very low | 31 | Very low | 63 Ų | 63 | 131.2 Ų | 131.2 | 65% | 0.649 | 77% | 0.77 | S | S | * | * | trans | 179.4 | 94.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 425 | T | 27.8 | Very low | 31.2 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 89% | 0.89 | 76% | 0.761 | S | S | * | * | trans | 33.8 | 140.9 | 143.7 | 50.9 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 426 | A | 26.5 | Very low | 31.4 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -170.2 | 164.8 | -4.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 427 | S | 27.7 | Very low | 31.8 | Very low | 124 Ų | 124 | 126 Ų | 126 | 87% | 0.867 | 76% | 0.759 | S | S | * | * | trans | 47.4 | 148.7 | 146.9 | -62.4 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 428 | A | 29.4 | Very low | 32.2 | Very low | 86 Ų | 86 | 125 Ų | 125 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | cis | -167 | 173.9 | -15.5 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 429 | T | 29.1 | Very low | 32.5 | Very low | 139 Ų | 139 | 121.1 Ų | 121.1 | 85% | 0.853 | 77% | 0.765 | S | S | * | * | cis | -154.7 | 160.4 | 14.1 | -30.2 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 430 | G | 26.2 | Very low | 32.7 | Very low | 63 Ų | 63 | 120.6 Ų | 120.6 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | trans | -89.5 | -148.8 | 169.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 431 | P | 46.6 | Very low | 32.9 | Very low | 122 Ų | 122 | 118.7 Ų | 118.7 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | cis | -145.5 | -162.2 | 2.4 | 30.5 | -3.9 | 0 | 0 | 0 | 115.8 | ||||
| 432 | V | 30.1 | Very low | 33.7 | Very low | 135 Ų | 135 | 116.9 Ų | 116.9 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | 98.4 | 143.9 | 155.3 | -166.8 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 433 | R | 32.4 | Very low | 34.4 | Very low | 233 Ų | 233 | 123.5 Ų | 123.5 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | -146.1 | 168.4 | 174.3 | -89.7 | -175.9 | 173.1 | -173.3 | -1.8 | 106.2 | ||||
| 434 | P | 53.6 | Low | 34.3 | Very low | 110 Ų | 110 | 125.8 Ų | 125.8 | 71% | 0.714 | 79% | 0.788 | S | S | * | * | cis | -133.7 | -164.2 | -8.8 | 33.8 | -11.1 | 0 | 0 | 0 | 113.8 | ||||
| 435 | Q | 30.6 | Very low | 35.3 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | 101.5 | 128.7 | 138.3 | -162.7 | 161.8 | -12.5 | 0 | 0 | 121.2 | ||||
| 436 | E | 29.7 | Very low | 36.4 | Very low | 164 Ų | 164 | 127.2 Ų | 127.2 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | 73 | 114.9 | 154.1 | -83.8 | 150.8 | -161.7 | 0 | 0 | 125.9 | ||||
| 437 | D | 32.7 | Very low | 37.7 | Very low | 145 Ų | 145 | 132.4 Ų | 132.4 | 78% | 0.775 | 80% | 0.803 | S | S | * | * | trans | 87.8 | 145 | 133.3 | -155.6 | 46.5 | 0 | 0 | 0 | 123.9 | ||||
| 438 | S | 35.6 | Very low | 39 | Very low | 104 Ų | 104 | 131.8 Ų | 131.8 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 39.4 | 130.2 | 160.2 | 54.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 439 | G | 32 | Very low | 40.5 | Very low | 81 Ų | 81 | 139.2 Ų | 139.2 | 84% | 0.835 | 80% | 0.8 | S | S | * | * | trans | 161.1 | 99.1 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 440 | A | 35.9 | Very low | 42.2 | Very low | 108 Ų | 108 | 138 Ų | 138 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | trans | -75.4 | 138.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 441 | A | 33.3 | Very low | 44.6 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 78% | 0.783 | S | S | * | * | trans | -164.5 | 130.5 | 134.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 442 | G | 48 | Very low | 46.3 | Very low | 84 Ų | 84 | 140.8 Ų | 140.8 | 87% | 0.866 | 77% | 0.769 | S | S | * | * | trans | -73.3 | 134.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 443 | R | 45.3 | Very low | 48.7 | Very low | 238 Ų | 238 | 138.4 Ų | 138.4 | 90% | 0.898 | 75% | 0.748 | S | S | * | * | trans | -132.7 | 127.6 | 165.9 | -145.6 | 172.7 | -169.3 | 173.6 | 3 | 109.1 | ||||
| 444 | E | 41.8 | Very low | 51.2 | Low | 174 Ų | 174 | 128 Ų | 128 | 81% | 0.813 | 71% | 0.713 | S | S | * | * | trans | -66.4 | 136.3 | -160.8 | -61.7 | 130.1 | 114.3 | 0 | 0 | 112.8 | A446 | E444-A446 HydrophobicContact CB-CB 4.25Å; E444-A446 PolarHBondContact O-N 3.02Å | ||
| 445 | T | 46.3 | Very low | 52.9 | Low | 150 Ų | 150 | 126.4 Ų | 126.4 | 92% | 0.92 | 70% | 0.701 | S | S | * | * | trans | -72.8 | 71.8 | 165.6 | 52.1 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 446 | A | 51.6 | Low | 55.6 | Low | 88 Ų | 88 | 119.5 Ų | 119.5 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | trans | -98.3 | 22.1 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | E444 | E444-A446 HydrophobicContact CB-CB 4.25Å; E444-A446 PolarHBondContact O-N 3.02Å | ||
| 447 | E | 53.7 | Low | 58.3 | Low | 189 Ų | 189 | 116 Ų | 116 | 88% | 0.883 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -92.3 | 113.8 | 177.2 | -70.3 | -166.2 | 106.4 | 0 | 0 | 112.2 | R449 | E447-R449 PolarHBondContact O-N 2.86Š|
| 448 | N | 54.4 | Low | 60.7 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 60% | 0.599 | 64% | 0.643 | S | S | * | * | trans | 53.7 | 58.3 | 156.7 | -162.3 | 30.3 | 0 | 0 | 0 | 116.8 | Q450 | N448-Q450 PolarHBondContact ND2-NE2 3Å; N448-Q450 PolarHBondContact O-N 3.29Å; N448-Q450 VanDerWaalsContact OD1-CG 3.24Å; N448-Q450 WeakPolarHBondContact OD1-CG 3.14Å; N448-Q450 PolarHBondContact OD1-NE2 3.06Å; N448-Q450 VanDerWaalsContact OD1-NE2 3.11Å | ||
| 449 | R | 60.8 | Low | 63.1 | Low | 242 Ų | 242 | 111.7 Ų | 111.7 | 91% | 0.913 | 63% | 0.626 | S | S | * | * | trans | -68.2 | 73.8 | 151.8 | -69.9 | -171.9 | 73.2 | 174.5 | 2.3 | 109.3 | E447 E451 | E447-R449 PolarHBondContact O-N 2.86Å; R449-E451 PolarHBondContact O-N 2.93Å | ||
| 450 | Q | 64.4 | Low | 65.6 | Low | 112 Ų | 112 | 110.7 Ų | 110.7 | 52% | 0.523 | 62% | 0.615 | S | S | . | * | trans | -60.1 | 101.9 | 170 | -117.6 | 162.2 | 45.6 | 0 | 0 | 107.9 | N448 F452 Y464 | N448-Q450 PolarHBondContact ND2-NE2 3Å; N448-Q450 PolarHBondContact O-N 3.29Å; N448-Q450 VanDerWaalsContact OD1-CG 3.24Å; N448-Q450 WeakPolarHBondContact OD1-CG 3.14Å; N448-Q450 PolarHBondContact OD1-NE2 3.06Å; N448-Q450 VanDerWaalsContact OD1-NE2 3.11Å; Q450-F452 PolarHBondContact O-N 2.94Å; Q450-F452 VanDerWaalsContact O-N 3.14Å; Q450-Y464 HydrophobicContact CB-CD1 4.35Å | ||
| 451 | E | 77 | Confident | 68 | Low | 131 Ų | 131 | 112.6 Ų | 112.6 | 61% | 0.612 | 60% | 0.604 | S | S | * | * | trans | -59 | 120.7 | -171.9 | -67.4 | -176.1 | 142.2 | 0 | 0 | 110.2 | R449 F453 Y464 G465 | R449-E451 PolarHBondContact O-N 2.93Å; E451-F453 HydrophobicContact CB-CD2 4.34Å; E451-F453 HydrophobicContact CB-CE2 3.54Å; E451-F453 HydrophobicContact CB-CZ 3.78Å; E451-F453 WeakPolarHBondContact O-CD2 3.39Å; E451-F453 VanDerWaalsContact O-CE2 3.27Å; E451-F453 WeakPolarHBondContact O-CE2 3.27Å; E451-F453 PolarHBondContact O-N 3.3Å; E451-Y464 WeakPolarHBondContact O-CA 3.21Å; E451-G465 PolarHBondContact O-N 2.91Å | ||
| 452 | F | 81.9 | Confident | 70.6 | Confident | 114 Ų | 114 | 108.7 Ų | 108.7 | 50% | 0.5 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -87 | 106.5 | 178.4 | 172.7 | -96.5 | 0 | 0 | 0 | 108.4 | Q450 G454 Y464 | Q450-F452 PolarHBondContact O-N 2.94Å; Q450-F452 VanDerWaalsContact O-N 3.14Å; F452-G454 WeakPolarHBondContact CE2-O 3.49Å; F452-Y464 HydrophobicContact CB-CD1 4.22Å; F452-Y464 HydrophobicContact CB-CE1 4.06Å; F452-Y464 HydrophobicContact CD2-CD1 4.31Å; F452-Y464 AromaticContact CD2-CE1 3.72Å; F452-Y464 HydrophobicContact CD2-CE1 3.72Å; F452-Y464 AromaticContact CD2-CZ 3.89Å; F452-Y464 HydrophobicContact CG-CE1 4.37Å |
| 453 | F | 81.6 | Confident | 72.5 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 37% | 0.373 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.6 | -17.5 | -178 | -69.8 | -87.3 | 0 | 0 | 0 | 112.7 | E451 V463 G465 A466 A469 L476 | E451-F453 HydrophobicContact CB-CD2 4.34Å; E451-F453 HydrophobicContact CB-CE2 3.54Å; E451-F453 HydrophobicContact CB-CZ 3.78Å; E451-F453 WeakPolarHBondContact O-CD2 3.39Å; E451-F453 VanDerWaalsContact O-CE2 3.27Å; E451-F453 WeakPolarHBondContact O-CE2 3.27Å; E451-F453 PolarHBondContact O-N 3.3Å; F453-V463 PolarHBondContact N-O 3.3Å; F453-G465 VanDerWaalsContact CE2-C 3.47Å; F453-A466 HydrophobicContact CE2-CB 4.34Å; F453-A466 VanDerWaalsContact CE2-N 3.33Å; F453-A466 HydrophobicContact CZ-CB 4.02Å; F453-A469 HydrophobicContact CB-CB 4.49Å; F453-L476 WeakPolarHBondContact O-CD1 3.05Å |
| 454 | G | 85.6 | Confident | 74.5 | Confident | 14 Ų | 14 | 98.7 Ų | 98.7 | 14% | 0.144 | 51% | 0.51 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.1 | -167.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F452 V463 | F452-G454 WeakPolarHBondContact CE2-O 3.49Å; G454-V463 PolarHBondContact O-N 2.94Å |
| 455 | T | 87.8 | Confident | 76.4 | Confident | 77 Ų | 77 | 91.4 Ų | 91.4 | 47% | 0.472 | 48% | 0.481 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.2 | 135.2 | -179.2 | -56.5 | 0 | 0 | 0 | 0 | 111 | V457 G460 | T455-V457 PolarHBondContact O-N 3.19Å; T455-G460 WeakPolarHBondContact CG2-O 3.43Å |
| 456 | C | 89 | Confident | 77.8 | Confident | 1 Ų | 1 | 87.2 Ų | 87.2 | 1% | 0.007 | 46% | 0.462 | C | S | . | . | trans | -74.6 | 121.6 | 177.9 | 173.4 | 0 | 0 | 0 | 0 | 112 | K458 C459 G460 K461 V463 L476 H478 | C456-K458 VanDerWaalsContact C-N 3.26Å; C456-K458 PolarHBondContact O-N 2.99Å; C456-K458 PolarHBondContact SG-N 3.3Å; C456-C459 PolarHBondContact O-N 3.44Å; C456-C459 VanDerWaalsContact SG-SG 3.7Å; C456-G460 WeakPolarHBondContact O-CA 3.1Å; C456-G460 PolarHBondContact O-N 3.24Å; C456-K461 PolarHBondContact N-O 3.36Å; C456-V463 HydrophobicContact CB-CG2 3.88Å; C456-L476 CarbonylContact C-O 3.58Å; C456-L476 VanDerWaalsContact CA-O 3.3Å; C456-L476 WeakPolarHBondContact CA-O 3.4Å; C456-H478 WeakPolarHBondContact CB-CE1 3.41Å; C456-H478 VanDerWaalsContact CB-ND1 3.28Å; C456-H478 WeakPolarHBondContact CB-ND1 3.46Å | ||
| 457 | V | 85.8 | Confident | 79 | Confident | 89 Ų | 89 | 89 Ų | 89 | 54% | 0.539 | 46% | 0.459 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.2 | -31 | -178.9 | -179.9 | 0 | 0 | 0 | 0 | 112.7 | T455 H475 L476 Y477 | T455-V457 PolarHBondContact O-N 3.19Å; V457-H475 HydrophobicContact CG2-CB 3.88Å; V457-L476 PolarHBondContact N-O 3.21Å; V457-Y477 HydrophobicContact CB-CE1 3.99Å |
| 458 | K | 83.6 | Confident | 80.2 | Confident | 106 Ų | 106 | 83.4 Ų | 83.4 | 46% | 0.461 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.1 | -20.4 | 179.2 | -94.9 | -83.7 | -168.2 | 178.3 | 0 | 115.1 | C456 Y477 C481 | C456-K458 VanDerWaalsContact C-N 3.26Å; C456-K458 PolarHBondContact O-N 2.99Å; C456-K458 PolarHBondContact SG-N 3.3Å; K458-Y477 HydrophobicContact CB-CD1 3.97Å; K458-Y477 HydrophobicContact CB-CE1 4.28Å; K458-Y477 HydrophobicContact CG-CD1 3.73Å; K458-Y477 HydrophobicContact CG-CE1 3.73Å; K458-C481 HydrophobicContact CB-CB 3.89Å |
| 459 | C | 86.3 | Confident | 81.5 | Confident | 53 Ų | 53 | 79.3 Ų | 79.3 | 36% | 0.358 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.2 | -1.7 | -171.3 | 77.3 | 0 | 0 | 0 | 0 | 116 | C456 K461 H478 | C456-C459 PolarHBondContact O-N 3.44Å; C456-C459 VanDerWaalsContact SG-SG 3.7Å; C459-K461 PolarHBondContact O-N 3Å; C459-K461 VanDerWaalsContact O-N 3.15Å; C459-H478 PolarHBondContact SG-CE1 3.43Å; C459-H478 PolarHBondContact SG-ND1 3.36Å; C459-H478 VanDerWaalsContact SG-ND1 3.39Å |
| 460 | G | 83.5 | Confident | 82.6 | Confident | 60 Ų | 60 | 68.9 Ų | 68.9 | 62% | 0.619 | 38% | 0.381 | S | S | * | . | S | Bend | trans | 70.4 | 2.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | T455 C456 | T455-G460 WeakPolarHBondContact CG2-O 3.43Å; C456-G460 WeakPolarHBondContact O-CA 3.1Å; C456-G460 PolarHBondContact O-N 3.24Å |
| 461 | K | 86.9 | Confident | 83.5 | Confident | 148 Ų | 148 | 70.7 Ų | 70.7 | 64% | 0.643 | 39% | 0.39 | S | S | * | . | trans | -97.3 | 151.4 | -177.5 | -61.3 | 179.6 | -175.9 | -177.5 | 0 | 112 | C456 C459 H478 | C456-K461 PolarHBondContact N-O 3.36Å; C459-K461 PolarHBondContact O-N 3Å; C459-K461 VanDerWaalsContact O-N 3.15Å; K461-H478 WeakPolarHBondContact CB-CE1 3.45Å; K461-H478 PolarHBondContact O-CE1 2.79Å | ||
| 462 | G | 87.8 | Confident | 83.5 | Confident | 15 Ų | 15 | 64.8 Ų | 64.8 | 16% | 0.155 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.2 | 142.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | H478 | G462-H478 PolarHBondContact O-CE1 3.27Å; G462-H478 PolarHBondContact O-NE2 3.24Å |
| 463 | V | 87.8 | Confident | 83.3 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 114.8 | 174.1 | -174.1 | 0 | 0 | 0 | 0 | 107.8 | F453 G454 C456 A469 H478 | F453-V463 PolarHBondContact N-O 3.3Å; G454-V463 PolarHBondContact O-N 2.94Å; C456-V463 HydrophobicContact CB-CG2 3.88Å; V463-A469 HydrophobicContact CG1-CB 3.73Å; V463-H478 WeakPolarHBondContact CA-NE2 3.42Å; V463-H478 PolarHBondContact N-NE2 3.27Å |
| 464 | Y | 86.9 | Confident | 83.1 | Confident | 112 Ų | 112 | 65.5 Ų | 65.5 | 44% | 0.439 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 129 | -177 | -58.2 | -87 | 0 | 0 | 0 | 110.7 | Q450 E451 F452 N468 | Q450-Y464 HydrophobicContact CB-CD1 4.35Å; E451-Y464 WeakPolarHBondContact O-CA 3.21Å; F452-Y464 HydrophobicContact CB-CD1 4.22Å; F452-Y464 HydrophobicContact CB-CE1 4.06Å; F452-Y464 HydrophobicContact CD2-CD1 4.31Å; F452-Y464 AromaticContact CD2-CE1 3.72Å; F452-Y464 HydrophobicContact CD2-CE1 3.72Å; F452-Y464 AromaticContact CD2-CZ 3.89Å; F452-Y464 HydrophobicContact CG-CE1 4.37Å; Y464-N468 PolarHBondContact O-ND2 3.18Å |
| 465 | G | 81.8 | Confident | 83 | Confident | 21 Ų | 21 | 69.1 Ų | 69.1 | 22% | 0.216 | 39% | 0.389 | C | S | . | . | S | Bend | trans | 78 | 136.8 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | E451 F453 D467 N468 | E451-G465 PolarHBondContact O-N 2.91Å; F453-G465 VanDerWaalsContact CE2-C 3.47Å; G465-D467 VanDerWaalsContact C-N 3.29Å; G465-D467 PolarHBondContact O-N 3.24Å; G465-N468 PolarHBondContact O-N 2.96Å; G465-N468 VanDerWaalsContact O-N 3.17Å |
| 466 | A | 75.1 | Confident | 83 | Confident | 63 Ų | 63 | 67.2 Ų | 67.2 | 52% | 0.521 | 38% | 0.376 | S | S | . | . | G | 310 helix | trans | -58.8 | -37.6 | -175 | 0 | 0 | 0 | 0 | 0 | 113 | F453 N468 A469 | F453-A466 HydrophobicContact CE2-CB 4.34Å; F453-A466 VanDerWaalsContact CE2-N 3.33Å; F453-A466 HydrophobicContact CZ-CB 4.02Å; A466-N468 PolarHBondContact O-N 2.72Å; A466-N468 VanDerWaalsContact O-N 3.1Å; A466-A469 PolarHBondContact O-N 3.34Å |
| 467 | D | 77.3 | Confident | 83 | Confident | 124 Ų | 124 | 67.9 Ų | 67.9 | 66% | 0.663 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -61.5 | -21.7 | -179.2 | -58.3 | -57 | 0 | 0 | 0 | 114.5 | G465 T479 R492 | G465-D467 VanDerWaalsContact C-N 3.29Å; G465-D467 PolarHBondContact O-N 3.24Å; D467-T479 VanDerWaalsContact O-CG2 3.25Å; D467-T479 WeakPolarHBondContact O-CG2 3.32Å; D467-R492 PolarHBondContact O-NH2 3.36Å |
| 468 | N | 78.7 | Confident | 83.1 | Confident | 72 Ų | 72 | 65.5 Ų | 65.5 | 39% | 0.385 | 36% | 0.361 | S | S | . | . | G | 310 helix | trans | -98.3 | -12.3 | 178.6 | -67.2 | -54.2 | 0 | 0 | 0 | 112.9 | Y464 G465 A466 H478 T479 | Y464-N468 PolarHBondContact O-ND2 3.18Å; G465-N468 PolarHBondContact O-N 2.96Å; G465-N468 VanDerWaalsContact O-N 3.17Å; A466-N468 PolarHBondContact O-N 2.72Å; A466-N468 VanDerWaalsContact O-N 3.1Å; N468-H478 CarbonylContact O-C 3.58Å; N468-H478 VanDerWaalsContact O-CA 3.25Å; N468-H478 WeakPolarHBondContact O-CA 3.1Å; N468-T479 PolarHBondContact O-N 3.46Å |
| 469 | A | 81.7 | Confident | 83.2 | Confident | 27 Ų | 27 | 61.1 Ų | 61.1 | 22% | 0.223 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 134.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | F453 V463 A466 L476 | F453-A469 HydrophobicContact CB-CB 4.49Å; V463-A469 HydrophobicContact CG1-CB 3.73Å; A466-A469 PolarHBondContact O-N 3.34Å; A469-L476 HydrophobicContact CB-CD2 4.19Å |
| 470 | C | 83.5 | Confident | 83.1 | Confident | 22 Ų | 22 | 68.6 Ų | 68.6 | 15% | 0.149 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 103.4 | 167.8 | -75.1 | 0 | 0 | 0 | 0 | 107.4 | Y477 T479 F482 | C470-Y477 PolarHBondContact N-O 3.25Å; C470-Y477 PolarHBondContact O-N 2.95Å; C470-T479 VanDerWaalsContact SG-CG2 3.53Å; C470-F482 HydrophobicContact CB-CB 4.31Å; C470-F482 HydrophobicContact CB-CG 4.49Å |
| 471 | Q | 83.8 | Confident | 83.2 | Confident | 150 Ų | 150 | 67.2 Ų | 67.2 | 70% | 0.701 | 35% | 0.345 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 123.7 | 169.7 | -173 | 176.1 | 2.1 | 0 | 0 | 108.5 | H475 | Q471-H475 WeakPolarHBondContact CA-O 3.25Å |
| 472 | A | 77.3 | Confident | 83.3 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 7% | 0.066 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 136.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 108.8 | D474 H475 Y477 F482 F496 | A472-D474 VanDerWaalsContact C-N 3.25Å; A472-D474 PolarHBondContact O-N 3.27Å; A472-H475 PolarHBondContact N-O 3.24Å; A472-H475 PolarHBondContact O-N 3.4Å; A472-H475 VanDerWaalsContact O-O 3.06Å; A472-Y477 HydrophobicContact CB-CD2 4.44Å; A472-Y477 HydrophobicContact CB-CE2 4.44Å; A472-F482 HydrophobicContact CB-CD2 4.31Å; A472-F482 HydrophobicContact CB-CE1 4.4Å; A472-F482 HydrophobicContact CB-CE2 3.47Å; A472-F482 VanDerWaalsContact CB-CE2 3.47Å; A472-F482 HydrophobicContact CB-CZ 3.53Å; A472-F496 HydrophobicContact CB-CE1 4.49Å; A472-F496 HydrophobicContact CB-CE2 4.17Å; A472-F496 HydrophobicContact CB-CZ 3.79Å |
| 473 | L | 76.9 | Confident | 83.4 | Confident | 68 Ų | 68 | 61.3 Ų | 61.3 | 36% | 0.356 | 32% | 0.317 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 42.5 | 176.3 | -50 | 158.9 | 0 | 0 | 0 | 111.8 | H475 F496 N498 V503 | L473-H475 PolarHBondContact O-N 3.17Å; L473-F496 HydrophobicContact CD1-CE2 4.16Å; L473-F496 HydrophobicContact CD2-CE2 4.25Å; L473-F496 HydrophobicContact CG-CE2 4.03Å; L473-N498 HydrophobicContact CD1-CB 3.7Å; L473-N498 HydrophobicContact CD2-CB 3.83Å; L473-N498 HydrophobicContact CG-CB 4.42Å; L473-V503 HydrophobicContact CD1-CG1 3.48Å; L473-V503 VanDerWaalsContact CD1-CG1 3.48Å |
| 474 | D | 77.9 | Confident | 83.4 | Confident | 146 Ų | 146 | 61.4 Ų | 61.4 | 78% | 0.781 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.1 | 22.3 | -175.9 | -53.2 | -42.1 | 0 | 0 | 0 | 115.1 | A472 | A472-D474 VanDerWaalsContact C-N 3.25Å; A472-D474 PolarHBondContact O-N 3.27Å |
| 475 | H | 84.3 | Confident | 83.3 | Confident | 89 Ų | 89 | 59.5 Ų | 59.5 | 41% | 0.412 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 143 | 178.7 | -70.8 | -7.5 | 0 | 0 | 0 | 111.4 | V457 Q471 A472 L473 Y477 | V457-H475 HydrophobicContact CG2-CB 3.88Å; Q471-H475 WeakPolarHBondContact CA-O 3.25Å; A472-H475 PolarHBondContact N-O 3.24Å; A472-H475 PolarHBondContact O-N 3.4Å; A472-H475 VanDerWaalsContact O-O 3.06Å; L473-H475 PolarHBondContact O-N 3.17Å; H475-Y477 HydrophobicContact CB-CD2 4.47Å; H475-Y477 HydrophobicContact CB-CE2 3.56Å; H475-Y477 WeakPolarHBondContact CB-OH 3.49Å |
| 476 | L | 87.3 | Confident | 83.3 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 19% | 0.194 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 134.7 | 176.2 | -97.1 | 161.8 | 0 | 0 | 0 | 111.2 | F453 C456 V457 A469 | F453-L476 WeakPolarHBondContact O-CD1 3.05Å; C456-L476 CarbonylContact C-O 3.58Å; C456-L476 VanDerWaalsContact CA-O 3.3Å; C456-L476 WeakPolarHBondContact CA-O 3.4Å; V457-L476 PolarHBondContact N-O 3.21Å; A469-L476 HydrophobicContact CB-CD2 4.19Å |
| 477 | Y | 87.8 | Confident | 83.8 | Confident | 16 Ų | 16 | 60.6 Ų | 60.6 | 6% | 0.063 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 149.6 | 175.4 | -56.8 | -80.4 | 0 | 0 | 0 | 110.4 | V457 K458 C470 A472 H475 F482 | V457-Y477 HydrophobicContact CB-CE1 3.99Å; K458-Y477 HydrophobicContact CB-CD1 3.97Å; K458-Y477 HydrophobicContact CB-CE1 4.28Å; K458-Y477 HydrophobicContact CG-CD1 3.73Å; K458-Y477 HydrophobicContact CG-CE1 3.73Å; C470-Y477 PolarHBondContact N-O 3.25Å; C470-Y477 PolarHBondContact O-N 2.95Å; A472-Y477 HydrophobicContact CB-CD2 4.44Å; A472-Y477 HydrophobicContact CB-CE2 4.44Å; H475-Y477 HydrophobicContact CB-CD2 4.47Å; H475-Y477 HydrophobicContact CB-CE2 3.56Å; H475-Y477 WeakPolarHBondContact CB-OH 3.49Å; Y477-F482 AromaticContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CE2 4.12Å; Y477-F482 HydrophobicContact CE2-CD2 4.15Å; Y477-F482 HydrophobicContact CE2-CE2 4.28Å; Y477-F482 HydrophobicContact CG-CB 4.46Å; Y477-F482 AromaticContact CG-CD2 3.9Å; Y477-F482 HydrophobicContact CG-CD2 3.9Å |
| 478 | H | 88.6 | Confident | 84 | Confident | 39 Ų | 39 | 56.8 Ų | 56.8 | 18% | 0.181 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 148.7 | 159.2 | -58.6 | 99 | 0 | 0 | 0 | 109.6 | C456 C459 K461 G462 V463 N468 R480 C481 F482 | C456-H478 WeakPolarHBondContact CB-CE1 3.41Å; C456-H478 VanDerWaalsContact CB-ND1 3.28Å; C456-H478 WeakPolarHBondContact CB-ND1 3.46Å; C459-H478 PolarHBondContact SG-CE1 3.43Å; C459-H478 PolarHBondContact SG-ND1 3.36Å; C459-H478 VanDerWaalsContact SG-ND1 3.39Å; K461-H478 WeakPolarHBondContact CB-CE1 3.45Å; K461-H478 PolarHBondContact O-CE1 2.79Å; G462-H478 PolarHBondContact O-CE1 3.27Å; G462-H478 PolarHBondContact O-NE2 3.24Å; V463-H478 WeakPolarHBondContact CA-NE2 3.42Å; V463-H478 PolarHBondContact N-NE2 3.27Å; N468-H478 CarbonylContact O-C 3.58Å; N468-H478 VanDerWaalsContact O-CA 3.25Å; N468-H478 WeakPolarHBondContact O-CA 3.1Å; H478-R480 PolarHBondContact O-N 2.95Å; H478-C481 HydrophobicContact CB-CB 4.07Å; H478-C481 WeakPolarHBondContact O-CA 3.27Å; H478-C481 PolarHBondContact O-N 3.33Å; H478-F482 PolarHBondContact O-N 2.98Å |
| 479 | T | 85.6 | Confident | 84.3 | Confident | 14 Ų | 14 | 58.4 Ų | 58.4 | 9% | 0.086 | 31% | 0.309 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -47.7 | -32.6 | 170.3 | 45.1 | 0 | 0 | 0 | 0 | 114.1 | D467 N468 C470 | D467-T479 VanDerWaalsContact O-CG2 3.25Å; D467-T479 WeakPolarHBondContact O-CG2 3.32Å; N468-T479 PolarHBondContact O-N 3.46Å; C470-T479 VanDerWaalsContact SG-CG2 3.53Å |
| 480 | R | 83.7 | Confident | 84.6 | Confident | 209 Ų | 209 | 60.7 Ų | 60.7 | 79% | 0.789 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | -18.9 | 177.3 | -56.2 | -175.4 | -171.4 | -173.3 | 2.4 | 114.3 | H478 T483 | H478-R480 PolarHBondContact O-N 2.95Å; R480-T483 WeakPolarHBondContact O-CG2 3.48Å |
| 481 | C | 86.1 | Confident | 84.6 | Confident | 32 Ų | 32 | 59.8 Ų | 59.8 | 22% | 0.216 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -16.3 | 179.4 | -65.7 | 0 | 0 | 0 | 0 | 112.8 | K458 H478 T483 | K458-C481 HydrophobicContact CB-CB 3.89Å; H478-C481 HydrophobicContact CB-CB 4.07Å; H478-C481 WeakPolarHBondContact O-CA 3.27Å; H478-C481 PolarHBondContact O-N 3.33Å; C481-T483 PolarHBondContact O-N 3.1Å |
| 482 | F | 88.3 | Confident | 84.5 | Confident | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.035 | 30% | 0.303 | C | S | . | . | trans | -78.4 | 71.5 | 172.4 | -164.9 | -120 | 0 | 0 | 0 | 110.5 | C470 A472 Y477 H478 T490 L491 F496 V503 | C470-F482 HydrophobicContact CB-CB 4.31Å; C470-F482 HydrophobicContact CB-CG 4.49Å; A472-F482 HydrophobicContact CB-CD2 4.31Å; A472-F482 HydrophobicContact CB-CE1 4.4Å; A472-F482 HydrophobicContact CB-CE2 3.47Å; A472-F482 VanDerWaalsContact CB-CE2 3.47Å; A472-F482 HydrophobicContact CB-CZ 3.53Å; Y477-F482 AromaticContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CD2 3.64Å; Y477-F482 HydrophobicContact CD2-CE2 4.12Å; Y477-F482 HydrophobicContact CE2-CD2 4.15Å; Y477-F482 HydrophobicContact CE2-CE2 4.28Å; Y477-F482 HydrophobicContact CG-CB 4.46Å; Y477-F482 AromaticContact CG-CD2 3.9Å; Y477-F482 HydrophobicContact CG-CD2 3.9Å; H478-F482 PolarHBondContact O-N 2.98Å; F482-T490 WeakPolarHBondContact O-CA 3.33Å; F482-L491 HydrophobicContact CD1-CB 3.57Å; F482-L491 HydrophobicContact CE1-CB 3.48Å; F482-L491 VanDerWaalsContact CE1-CB 3.48Å; F482-L491 HydrophobicContact CE1-CD1 4.37Å; F482-L491 HydrophobicContact CG-CB 4.45Å; F482-L491 HydrophobicContact CZ-CB 4.3Å; F482-L491 HydrophobicContact CZ-CD1 4.4Å; F482-L491 PolarHBondContact O-N 2.83Å; F482-F496 AromaticContact CE1-CD1 3.76Å; F482-F496 HydrophobicContact CE1-CD1 3.76Å; F482-F496 AromaticContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CG 4.17Å; F482-F496 HydrophobicContact CZ-CB 4.46Å; F482-F496 AromaticContact CZ-CD1 3.68Å; F482-F496 HydrophobicContact CZ-CD1 3.68Å; F482-F496 AromaticContact CZ-CD2 3.89Å; F482-F496 HydrophobicContact CZ-CD2 3.89Å; F482-F496 AromaticContact CZ-CE1 3.78Å; F482-F496 HydrophobicContact CZ-CE1 3.78Å; F482-F496 AromaticContact CZ-CE2 3.98Å; F482-F496 HydrophobicContact CZ-CE2 3.98Å; F482-F496 AromaticContact CZ-CG 3.75Å; F482-F496 HydrophobicContact CZ-CG 3.75Å; F482-F496 AromaticContact CZ-CZ 3.93Å; F482-F496 HydrophobicContact CZ-CZ 3.93Å; F482-V503 HydrophobicContact CE2-CG1 4.11Å | ||
| 483 | T | 89.9 | Confident | 84.5 | Confident | 30 Ų | 30 | 65.8 Ų | 65.8 | 18% | 0.184 | 34% | 0.34 | C | S | . | . | B | Isolated β-bridge | trans | -114.8 | 149.5 | -177.6 | 52.7 | 0 | 0 | 0 | 0 | 111.7 | R480 C481 G488 R489 T490 | R480-T483 WeakPolarHBondContact O-CG2 3.48Å; C481-T483 PolarHBondContact O-N 3.1Å; T483-G488 WeakPolarHBondContact CB-O 3.32Å; T483-G488 VanDerWaalsContact CG2-O 3.25Å; T483-G488 WeakPolarHBondContact CG2-O 3.34Å; T483-R489 WeakPolarHBondContact CA-O 3.45Å; T483-T490 HydrophobicContact CG2-CG2 3.77Å |
| 484 | C | 88.8 | Confident | 84.7 | Confident | 3 Ų | 3 | 68.4 Ų | 68.4 | 2% | 0.02 | 35% | 0.349 | C | S | . | . | trans | -63.5 | 139.5 | 170.7 | 178.4 | 0 | 0 | 0 | 0 | 111.3 | S486 G488 R489 L491 V503 Y504 C505 D508 | C484-S486 PolarHBondContact SG-N 3.23Å; C484-S486 VanDerWaalsContact SG-N 3.38Å; C484-G488 VanDerWaalsContact O-CA 3.23Å; C484-G488 WeakPolarHBondContact O-CA 3.49Å; C484-G488 PolarHBondContact O-N 3.01Å; C484-R489 PolarHBondContact N-O 2.92Å; C484-L491 HydrophobicContact CB-CD1 4.35Å; C484-L491 HydrophobicContact CB-CD2 4.2Å; C484-L491 HydrophobicContact CB-CG 4.41Å; C484-V503 WeakPolarHBondContact CA-O 3.4Å; C484-Y504 VanDerWaalsContact SG-CA 3.58Å; C484-C505 HydrophobicContact CB-CB 4.15Å; C484-C505 PolarHBondContact SG-N 2.91Å; C484-D508 PolarHBondContact SG-OD2 2.83Å | ||
| 485 | V | 85 | Confident | 84.9 | Confident | 72 Ų | 72 | 65.8 Ų | 65.8 | 44% | 0.436 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -37.6 | 176.5 | 179 | 0 | 0 | 0 | 0 | 112.8 | V503 Y504 | V485-V503 PolarHBondContact N-O 3.23Å; V485-Y504 HydrophobicContact CB-CE1 4.32Å |
| 486 | S | 82.5 | Confident | 84.8 | Confident | 61 Ų | 61 | 65 Ų | 65 | 43% | 0.427 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.9 | -61.9 | -179.1 | -56.4 | 0 | 0 | 0 | 0 | 113 | C484 Y504 D508 S512 | C484-S486 PolarHBondContact SG-N 3.23Å; C484-S486 VanDerWaalsContact SG-N 3.38Å; S486-Y504 WeakPolarHBondContact OG-CD1 3.39Å; S486-Y504 WeakPolarHBondContact OG-CE1 3.35Å; S486-D508 WeakPolarHBondContact CB-OD2 3.47Å; S486-S512 PolarHBondContact OG-OG 3.35Å |
| 487 | C | 84 | Confident | 84.7 | Confident | 45 Ų | 45 | 67.2 Ų | 67.2 | 30% | 0.304 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | -2.6 | -175.5 | 71.1 | 0 | 0 | 0 | 0 | 116.1 | R489 D508 | C487-R489 HydrophobicContact CB-CG 4.38Å; C487-R489 PolarHBondContact O-N 3.46Å; C487-R489 VanDerWaalsContact SG-CB 3.55Å; C487-R489 PolarHBondContact SG-N 3.08Å; C487-R489 PolarHBondContact SG-NE 3.45Å; C487-D508 WeakPolarHBondContact CB-OD2 3.5Å; C487-D508 PolarHBondContact N-OD2 3.04Å; C487-D508 PolarHBondContact SG-OD2 3.47Å |
| 488 | G | 82.9 | Confident | 84.5 | Confident | 45 Ų | 45 | 70 Ų | 70 | 46% | 0.464 | 35% | 0.353 | S | S | . | . | trans | 67.5 | -6.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | T483 C484 | T483-G488 WeakPolarHBondContact CB-O 3.32Å; T483-G488 VanDerWaalsContact CG2-O 3.25Å; T483-G488 WeakPolarHBondContact CG2-O 3.34Å; C484-G488 VanDerWaalsContact O-CA 3.23Å; C484-G488 WeakPolarHBondContact O-CA 3.49Å; C484-G488 PolarHBondContact O-N 3.01Å | ||
| 489 | R | 85.1 | Confident | 84 | Confident | 106 Ų | 106 | 69.8 Ų | 69.8 | 40% | 0.4 | 35% | 0.354 | S | S | . | . | trans | -66.1 | 139 | -178.4 | -65.4 | 177.9 | -84.1 | 163.2 | 0.3 | 111.1 | T483 C484 C487 E507 D508 | T483-R489 WeakPolarHBondContact CA-O 3.45Å; C484-R489 PolarHBondContact N-O 2.92Å; C487-R489 HydrophobicContact CB-CG 4.38Å; C487-R489 PolarHBondContact O-N 3.46Å; C487-R489 VanDerWaalsContact SG-CB 3.55Å; C487-R489 PolarHBondContact SG-N 3.08Å; C487-R489 PolarHBondContact SG-NE 3.45Å; R489-E507 IonicContact CZ-OE1 3.18Å; R489-E507 IonicContact CZ-OE2 3.73Å; R489-E507 VanDerWaalsContact NH1-CD 3.33Å; R489-E507 IonicContact NH1-OE1 2.72Å; R489-E507 PolarHBondContact NH1-OE1 3.34Å; R489-E507 IonicContact NH1-OE2 2.74Å; R489-E507 PolarHBondContact NH1-OE2 2.97Å; R489-E507 IonicContact NH2-OE2 3.97Å; R489-E507 PolarHBondContact NH2-OE2 3.09Å; R489-D508 IonicContact NH2-OD1 2.72Å | ||
| 490 | T | 86.4 | Confident | 83.6 | Confident | 75 Ų | 75 | 77.1 Ų | 77.1 | 46% | 0.46 | 39% | 0.392 | S | S | . | . | B | Isolated β-bridge | trans | -66.2 | 134.9 | 175.7 | 50.3 | 0 | 0 | 0 | 0 | 111.5 | F482 T483 | F482-T490 WeakPolarHBondContact O-CA 3.33Å; T483-T490 HydrophobicContact CG2-CG2 3.77Å |
| 491 | L | 84.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.016 | 39% | 0.385 | C | S | . | . | trans | -95 | 10.3 | -174.9 | -62.5 | 171.8 | 0 | 0 | 0 | 113.3 | F482 C484 N493 K494 F496 V503 C505 | F482-L491 HydrophobicContact CD1-CB 3.57Å; F482-L491 HydrophobicContact CE1-CB 3.48Å; F482-L491 VanDerWaalsContact CE1-CB 3.48Å; F482-L491 HydrophobicContact CE1-CD1 4.37Å; F482-L491 HydrophobicContact CG-CB 4.45Å; F482-L491 HydrophobicContact CZ-CB 4.3Å; F482-L491 HydrophobicContact CZ-CD1 4.4Å; F482-L491 PolarHBondContact O-N 2.83Å; C484-L491 HydrophobicContact CB-CD1 4.35Å; C484-L491 HydrophobicContact CB-CD2 4.2Å; C484-L491 HydrophobicContact CB-CG 4.41Å; L491-N493 PolarHBondContact O-N 2.84Å; L491-K494 PolarHBondContact O-N 3.07Å; L491-F496 HydrophobicContact CB-CB 4.42Å; L491-F496 HydrophobicContact CD1-CB 3.92Å; L491-F496 HydrophobicContact CD2-CB 4.41Å; L491-F496 HydrophobicContact CG-CB 4.49Å; L491-V503 HydrophobicContact CD1-CB 4.02Å; L491-V503 HydrophobicContact CD1-CG2 4.28Å; L491-C505 HydrophobicContact CD2-CB 3.42Å; L491-C505 VanDerWaalsContact CD2-CB 3.42Å | ||
| 492 | R | 80.7 | Confident | 83.2 | Confident | 125 Ų | 125 | 70.5 Ų | 70.5 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.2 | 124.6 | 177.4 | -171.7 | -179.6 | -169.7 | 178.7 | 9.3 | 110.1 | D467 K494 | D467-R492 PolarHBondContact O-NH2 3.36Å; R492-K494 VanDerWaalsContact C-N 3.27Å; R492-K494 PolarHBondContact O-N 3.22Å |
| 493 | N | 77.8 | Confident | 83 | Confident | 159 Ų | 159 | 70.5 Ų | 70.5 | 85% | 0.85 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.5 | 32.1 | 179.8 | -52.8 | 2.1 | 0 | 0 | 0 | 114.1 | L491 | L491-N493 PolarHBondContact O-N 2.84Š|
| 494 | K | 81.1 | Confident | 82.8 | Confident | 123 Ų | 123 | 71.4 Ų | 71.4 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -129.7 | 154 | 175.8 | -70 | -166.1 | 170.8 | -161.8 | 0 | 112.1 | L491 R492 F496 | L491-K494 PolarHBondContact O-N 3.07Å; R492-K494 VanDerWaalsContact C-N 3.27Å; R492-K494 PolarHBondContact O-N 3.22Å; K494-F496 PolarHBondContact O-N 2.84Å |
| 495 | D | 81.4 | Confident | 82.7 | Confident | 91 Ų | 91 | 71.6 Ų | 71.6 | 49% | 0.487 | 39% | 0.391 | S | S | . | . | trans | -55.3 | 125.1 | 167.6 | -60.6 | -20.4 | 0 | 0 | 0 | 110.3 | Y497 K506 | D495-Y497 HydrophobicContact CB-CE2 4.45Å; D495-K506 HydrophobicContact CB-CB 4.25Å; D495-K506 HydrophobicContact CB-CD 4.19Å; D495-K506 PolarHBondContact O-N 3.46Å; D495-K506 WeakPolarHBondContact OD2-CD 3.28Å; D495-K506 IonicContact OD2-NZ 3.58Å; D495-K506 PolarHBondContact OD2-NZ 3.47Å | ||
| 496 | F | 83.7 | Confident | 82.5 | Confident | 73 Ų | 73 | 72.7 Ų | 72.7 | 32% | 0.32 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 152.8 | 175.8 | 65.6 | -95 | 0 | 0 | 0 | 111 | A472 L473 F482 L491 K494 V503 Y504 | A472-F496 HydrophobicContact CB-CE1 4.49Å; A472-F496 HydrophobicContact CB-CE2 4.17Å; A472-F496 HydrophobicContact CB-CZ 3.79Å; L473-F496 HydrophobicContact CD1-CE2 4.16Å; L473-F496 HydrophobicContact CD2-CE2 4.25Å; L473-F496 HydrophobicContact CG-CE2 4.03Å; F482-F496 AromaticContact CE1-CD1 3.76Å; F482-F496 HydrophobicContact CE1-CD1 3.76Å; F482-F496 AromaticContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CE1 3.98Å; F482-F496 HydrophobicContact CE1-CG 4.17Å; F482-F496 HydrophobicContact CZ-CB 4.46Å; F482-F496 AromaticContact CZ-CD1 3.68Å; F482-F496 HydrophobicContact CZ-CD1 3.68Å; F482-F496 AromaticContact CZ-CD2 3.89Å; F482-F496 HydrophobicContact CZ-CD2 3.89Å; F482-F496 AromaticContact CZ-CE1 3.78Å; F482-F496 HydrophobicContact CZ-CE1 3.78Å; F482-F496 AromaticContact CZ-CE2 3.98Å; F482-F496 HydrophobicContact CZ-CE2 3.98Å; F482-F496 AromaticContact CZ-CG 3.75Å; F482-F496 HydrophobicContact CZ-CG 3.75Å; F482-F496 AromaticContact CZ-CZ 3.93Å; F482-F496 HydrophobicContact CZ-CZ 3.93Å; L491-F496 HydrophobicContact CB-CB 4.42Å; L491-F496 HydrophobicContact CD1-CB 3.92Å; L491-F496 HydrophobicContact CD2-CB 4.41Å; L491-F496 HydrophobicContact CG-CB 4.49Å; K494-F496 PolarHBondContact O-N 2.84Å; F496-V503 HydrophobicContact CD2-CG1 4.38Å; F496-Y504 WeakPolarHBondContact CA-O 3.4Å |
| 497 | Y | 83.6 | Confident | 82.4 | Confident | 82 Ų | 82 | 74.6 Ų | 74.6 | 32% | 0.322 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 138.4 | -178.2 | -62.5 | -93.3 | 0 | 0 | 0 | 110.1 | D495 V503 Y504 K506 Y509 | D495-Y497 HydrophobicContact CB-CE2 4.45Å; Y497-V503 WeakPolarHBondContact O-CA 3.47Å; Y497-Y504 PolarHBondContact N-O 3.48Å; Y497-Y504 PolarHBondContact O-N 3.3Å; Y497-K506 HydrophobicContact CE2-CB 3.96Å; Y497-K506 HydrophobicContact CE2-CG 4.02Å; Y497-Y509 VanDerWaalsContact CB-CD2 3.44Å; Y497-Y509 VanDerWaalsContact CB-CG 3.43Å; Y497-Y509 AromaticContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD2 4.5Å; Y497-Y509 AromaticContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE1 3.46Å; Y497-Y509 VanDerWaalsContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE2 4.39Å; Y497-Y509 HydrophobicContact CD1-CG 4.12Å; Y497-Y509 AromaticContact CD1-CZ 3.89Å; Y497-Y509 AromaticContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CE1 4.27Å; Y497-Y509 AromaticContact CD2-CG 3.68Å; Y497-Y509 HydrophobicContact CD2-CG 3.68Å; Y497-Y509 AromaticContact CE1-CD1 3.98Å; Y497-Y509 HydrophobicContact CE1-CD1 3.98Å; Y497-Y509 AromaticContact CE1-CE1 3.81Å; Y497-Y509 HydrophobicContact CE1-CE1 3.81Å; Y497-Y509 AromaticContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CG 4.49Å; Y497-Y509 AromaticContact CG-CD1 3.34Å; Y497-Y509 HydrophobicContact CG-CD1 3.34Å; Y497-Y509 AromaticContact CG-CD2 3.94Å; Y497-Y509 HydrophobicContact CG-CD2 3.94Å; Y497-Y509 AromaticContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE2 4.26Å; Y497-Y509 AromaticContact CG-CG 3.46Å; Y497-Y509 HydrophobicContact CG-CG 3.46Å; Y497-Y509 VanDerWaalsContact CG-CG 3.46Å |
| 498 | N | 83.6 | Confident | 82.2 | Confident | 75 Ų | 75 | 73.4 Ų | 73.4 | 40% | 0.401 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.5 | 124.5 | 174.4 | -175.9 | 1.1 | 0 | 0 | 0 | 109.5 | L473 G501 S502 | L473-N498 HydrophobicContact CD1-CB 3.7Å; L473-N498 HydrophobicContact CD2-CB 3.83Å; L473-N498 HydrophobicContact CG-CB 4.42Å; N498-G501 WeakPolarHBondContact OD1-CA 3.2Å; N498-G501 PolarHBondContact OD1-N 2.86Å; N498-S502 WeakPolarHBondContact CA-O 3.42Å; N498-S502 PolarHBondContact OD1-N 2.99Å |
| 499 | V | 79.1 | Confident | 82 | Confident | 35 Ų | 35 | 74.6 Ų | 74.6 | 21% | 0.212 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 118.8 | 168.2 | -171.2 | 0 | 0 | 0 | 0 | 108 | G501 S502 Y504 Y509 | V499-G501 PolarHBondContact O-N 3.36Å; V499-S502 PolarHBondContact N-O 2.88Å; V499-S502 WeakPolarHBondContact O-CB 3.37Å; V499-S502 PolarHBondContact O-N 3.27Å; V499-Y504 HydrophobicContact CB-CD2 4.18Å; V499-Y504 HydrophobicContact CB-CE2 3.89Å; V499-Y504 HydrophobicContact CG2-CD2 4.12Å; V499-Y504 HydrophobicContact CG2-CE2 4.3Å; V499-Y509 HydrophobicContact CG2-CD2 3.7Å; V499-Y509 HydrophobicContact CG2-CE2 3.47Å; V499-Y509 VanDerWaalsContact CG2-CE2 3.47Å |
| 500 | N | 77.4 | Confident | 81.5 | Confident | 167 Ų | 167 | 73.6 Ų | 73.6 | 89% | 0.893 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.6 | 37 | 177.7 | -54.9 | -22.7 | 0 | 0 | 0 | 114 | S502 | N500-S502 VanDerWaalsContact C-N 3.28Å; N500-S502 PolarHBondContact O-N 3.44Å |
| 501 | G | 76.9 | Confident | 80.6 | Confident | 62 Ų | 62 | 76.8 Ų | 76.8 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.4 | -2.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | N498 V499 | N498-G501 WeakPolarHBondContact OD1-CA 3.2Å; N498-G501 PolarHBondContact OD1-N 2.86Å; V499-G501 PolarHBondContact O-N 3.36Å |
| 502 | S | 83.3 | Confident | 79.7 | Confident | 41 Ų | 41 | 79.8 Ų | 79.8 | 29% | 0.287 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 132.5 | 175.5 | -69.3 | 0 | 0 | 0 | 0 | 111.1 | N498 V499 N500 Y504 | N498-S502 WeakPolarHBondContact CA-O 3.42Å; N498-S502 PolarHBondContact OD1-N 2.99Å; V499-S502 PolarHBondContact N-O 2.88Å; V499-S502 WeakPolarHBondContact O-CB 3.37Å; V499-S502 PolarHBondContact O-N 3.27Å; N500-S502 VanDerWaalsContact C-N 3.28Å; N500-S502 PolarHBondContact O-N 3.44Å; S502-Y504 VanDerWaalsContact CB-CE2 3.49Å; S502-Y504 VanDerWaalsContact O-CD2 3.27Å; S502-Y504 WeakPolarHBondContact O-CD2 3.33Å; S502-Y504 WeakPolarHBondContact O-CE2 3.49Å |
| 503 | V | 84.8 | Confident | 78.5 | Confident | 7 Ų | 7 | 76.1 Ų | 76.1 | 4% | 0.042 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.8 | 129.6 | 177.2 | -81 | 0 | 0 | 0 | 0 | 112.3 | L473 F482 C484 V485 L491 F496 Y497 | L473-V503 HydrophobicContact CD1-CG1 3.48Å; L473-V503 VanDerWaalsContact CD1-CG1 3.48Å; F482-V503 HydrophobicContact CE2-CG1 4.11Å; C484-V503 WeakPolarHBondContact CA-O 3.4Å; V485-V503 PolarHBondContact N-O 3.23Å; L491-V503 HydrophobicContact CD1-CB 4.02Å; L491-V503 HydrophobicContact CD1-CG2 4.28Å; F496-V503 HydrophobicContact CD2-CG1 4.38Å; Y497-V503 WeakPolarHBondContact O-CA 3.47Å |
| 504 | Y | 85.2 | Confident | 77.4 | Confident | 49 Ų | 49 | 76.3 Ų | 76.3 | 19% | 0.192 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 144.1 | 179.4 | -61.8 | -87 | 0 | 0 | 0 | 110.6 | C484 V485 S486 F496 Y497 V499 S502 | C484-Y504 VanDerWaalsContact SG-CA 3.58Å; V485-Y504 HydrophobicContact CB-CE1 4.32Å; S486-Y504 WeakPolarHBondContact OG-CD1 3.39Å; S486-Y504 WeakPolarHBondContact OG-CE1 3.35Å; F496-Y504 WeakPolarHBondContact CA-O 3.4Å; Y497-Y504 PolarHBondContact N-O 3.48Å; Y497-Y504 PolarHBondContact O-N 3.3Å; V499-Y504 HydrophobicContact CB-CD2 4.18Å; V499-Y504 HydrophobicContact CB-CE2 3.89Å; V499-Y504 HydrophobicContact CG2-CD2 4.12Å; V499-Y504 HydrophobicContact CG2-CE2 4.3Å; S502-Y504 VanDerWaalsContact CB-CE2 3.49Å; S502-Y504 VanDerWaalsContact O-CD2 3.27Å; S502-Y504 WeakPolarHBondContact O-CD2 3.33Å; S502-Y504 WeakPolarHBondContact O-CE2 3.49Å |
| 505 | C | 87.5 | Confident | 76.1 | Confident | 7 Ų | 7 | 72.4 Ų | 72.4 | 5% | 0.047 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.4 | 160.9 | 166.6 | 79.9 | 0 | 0 | 0 | 0 | 109.3 | C484 L491 E507 D508 Y509 | C484-C505 HydrophobicContact CB-CB 4.15Å; C484-C505 PolarHBondContact SG-N 2.91Å; L491-C505 HydrophobicContact CD2-CB 3.42Å; L491-C505 VanDerWaalsContact CD2-CB 3.42Å; C505-E507 VanDerWaalsContact C-N 3.27Å; C505-E507 PolarHBondContact O-N 3.11Å; C505-D508 PolarHBondContact O-N 2.86Å; C505-D508 PolarHBondContact SG-N 3.14Å; C505-D508 PolarHBondContact SG-OD2 3.29Å; C505-D508 VanDerWaalsContact SG-OD2 3.4Å; C505-Y509 WeakPolarHBondContact O-CB 3.43Å; C505-Y509 PolarHBondContact O-N 3.45Å |
| 506 | K | 81.5 | Confident | 74.7 | Confident | 96 Ų | 96 | 73.6 Ų | 73.6 | 42% | 0.417 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -50 | -44.7 | 177.4 | -174.4 | 174.7 | -165.4 | 160.9 | 0 | 114.1 | D495 Y497 M510 | D495-K506 HydrophobicContact CB-CB 4.25Å; D495-K506 HydrophobicContact CB-CD 4.19Å; D495-K506 PolarHBondContact O-N 3.46Å; D495-K506 WeakPolarHBondContact OD2-CD 3.28Å; D495-K506 IonicContact OD2-NZ 3.58Å; D495-K506 PolarHBondContact OD2-NZ 3.47Å; Y497-K506 HydrophobicContact CE2-CB 3.96Å; Y497-K506 HydrophobicContact CE2-CG 4.02Å; K506-M510 WeakPolarHBondContact O-CG 3.46Å; K506-M510 PolarHBondContact O-N 2.97Å |
| 507 | E | 79.3 | Confident | 73.3 | Confident | 100 Ų | 100 | 74.4 Ų | 74.4 | 47% | 0.467 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -56.3 | 179.4 | -57.7 | 157.5 | -130.8 | 0 | 0 | 110.5 | R489 C505 Y509 M510 F511 | R489-E507 IonicContact CZ-OE1 3.18Å; R489-E507 IonicContact CZ-OE2 3.73Å; R489-E507 VanDerWaalsContact NH1-CD 3.33Å; R489-E507 IonicContact NH1-OE1 2.72Å; R489-E507 PolarHBondContact NH1-OE1 3.34Å; R489-E507 IonicContact NH1-OE2 2.74Å; R489-E507 PolarHBondContact NH1-OE2 2.97Å; R489-E507 IonicContact NH2-OE2 3.97Å; R489-E507 PolarHBondContact NH2-OE2 3.09Å; C505-E507 VanDerWaalsContact C-N 3.27Å; C505-E507 PolarHBondContact O-N 3.11Å; E507-Y509 PolarHBondContact O-N 3.25Å; E507-M510 PolarHBondContact O-N 3.03Å; E507-F511 WeakPolarHBondContact O-CB 3.45Å; E507-F511 PolarHBondContact O-N 2.84Å |
| 508 | D | 79.5 | Confident | 72.3 | Confident | 21 Ų | 21 | 72 Ų | 72 | 11% | 0.112 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -70.7 | -28.5 | -177 | -59.8 | -15.8 | 0 | 0 | 0 | 113 | C484 S486 C487 R489 C505 F511 S512 | C484-D508 PolarHBondContact SG-OD2 2.83Å; S486-D508 WeakPolarHBondContact CB-OD2 3.47Å; C487-D508 WeakPolarHBondContact CB-OD2 3.5Å; C487-D508 PolarHBondContact N-OD2 3.04Å; C487-D508 PolarHBondContact SG-OD2 3.47Å; R489-D508 IonicContact NH2-OD1 2.72Å; C505-D508 PolarHBondContact O-N 2.86Å; C505-D508 PolarHBondContact SG-N 3.14Å; C505-D508 PolarHBondContact SG-OD2 3.29Å; C505-D508 VanDerWaalsContact SG-OD2 3.4Å; D508-F511 PolarHBondContact O-N 3.42Å; D508-S512 WeakPolarHBondContact O-CA 3.48Å; D508-S512 WeakPolarHBondContact O-CB 3.43Å; D508-S512 PolarHBondContact O-N 2.53Å; D508-S512 PolarHBondContact O-OG 3.46Å |
| 509 | Y | 78.4 | Confident | 71.7 | Confident | 70 Ų | 70 | 71.7 Ų | 71.7 | 28% | 0.275 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -46.3 | 175.2 | 170.4 | -112.3 | 0 | 0 | 0 | 110.7 | Y497 V499 C505 E507 | Y497-Y509 VanDerWaalsContact CB-CD2 3.44Å; Y497-Y509 VanDerWaalsContact CB-CG 3.43Å; Y497-Y509 AromaticContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD1 3.59Å; Y497-Y509 HydrophobicContact CD1-CD2 4.5Å; Y497-Y509 AromaticContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE1 3.46Å; Y497-Y509 VanDerWaalsContact CD1-CE1 3.46Å; Y497-Y509 HydrophobicContact CD1-CE2 4.39Å; Y497-Y509 HydrophobicContact CD1-CG 4.12Å; Y497-Y509 AromaticContact CD1-CZ 3.89Å; Y497-Y509 AromaticContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CD1 3.51Å; Y497-Y509 HydrophobicContact CD2-CE1 4.27Å; Y497-Y509 AromaticContact CD2-CG 3.68Å; Y497-Y509 HydrophobicContact CD2-CG 3.68Å; Y497-Y509 AromaticContact CE1-CD1 3.98Å; Y497-Y509 HydrophobicContact CE1-CD1 3.98Å; Y497-Y509 AromaticContact CE1-CE1 3.81Å; Y497-Y509 HydrophobicContact CE1-CE1 3.81Å; Y497-Y509 AromaticContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CD1 3.92Å; Y497-Y509 HydrophobicContact CE2-CG 4.49Å; Y497-Y509 AromaticContact CG-CD1 3.34Å; Y497-Y509 HydrophobicContact CG-CD1 3.34Å; Y497-Y509 AromaticContact CG-CD2 3.94Å; Y497-Y509 HydrophobicContact CG-CD2 3.94Å; Y497-Y509 AromaticContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE1 3.72Å; Y497-Y509 HydrophobicContact CG-CE2 4.26Å; Y497-Y509 AromaticContact CG-CG 3.46Å; Y497-Y509 HydrophobicContact CG-CG 3.46Å; Y497-Y509 VanDerWaalsContact CG-CG 3.46Å; V499-Y509 HydrophobicContact CG2-CD2 3.7Å; V499-Y509 HydrophobicContact CG2-CE2 3.47Å; V499-Y509 VanDerWaalsContact CG2-CE2 3.47Å; C505-Y509 WeakPolarHBondContact O-CB 3.43Å; C505-Y509 PolarHBondContact O-N 3.45Å; E507-Y509 PolarHBondContact O-N 3.25Å |
| 510 | M | 74.6 | Confident | 71.7 | Confident | 85 Ų | 85 | 76.7 Ų | 76.7 | 42% | 0.419 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -64.2 | -51.4 | 173.9 | -64.4 | -179.8 | 87.7 | 0 | 0 | 109.5 | K506 E507 Q515 | K506-M510 WeakPolarHBondContact O-CG 3.46Å; K506-M510 PolarHBondContact O-N 2.97Å; E507-M510 PolarHBondContact O-N 3.03Å; M510-Q515 WeakPolarHBondContact O-CB 3.24Å; M510-Q515 PolarHBondContact O-NE2 3.04Å; M510-Q515 PolarHBondContact O-OE1 3.21Å |
| 511 | F | 68.3 | Low | 72 | Confident | 142 Ų | 142 | 68.8 Ų | 68.8 | 62% | 0.623 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -70.7 | -36.6 | -171.6 | -156.2 | -97.4 | 0 | 0 | 0 | 115.2 | E507 D508 L527 | E507-F511 WeakPolarHBondContact O-CB 3.45Å; E507-F511 PolarHBondContact O-N 2.84Å; D508-F511 PolarHBondContact O-N 3.42Å; F511-L527 HydrophobicContact CE2-CD1 4.24Å |
| 512 | S | 65.5 | Low | 72.1 | Confident | 65 Ų | 65 | 68.8 Ų | 68.8 | 46% | 0.455 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -93.5 | -31.1 | -170 | -41.1 | 0 | 0 | 0 | 0 | 114.3 | S486 D508 | S486-S512 PolarHBondContact OG-OG 3.35Å; D508-S512 WeakPolarHBondContact O-CA 3.48Å; D508-S512 WeakPolarHBondContact O-CB 3.43Å; D508-S512 PolarHBondContact O-N 2.53Å; D508-S512 PolarHBondContact O-OG 3.46Å |
| 513 | G | 56.8 | Low | 72 | Confident | 48 Ų | 48 | 71.3 Ų | 71.3 | 50% | 0.495 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -106.4 | -40.2 | -156.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 514 | F | 53.4 | Low | 71.8 | Confident | 163 Ų | 163 | 73.3 Ų | 73.3 | 72% | 0.715 | 41% | 0.412 | S | S | * | . | S | Bend | trans | -132.5 | 6.9 | -169.2 | -103.1 | -95.2 | 0 | 0 | 0 | 114.2 | A516 | F514-A516 VanDerWaalsContact C-N 3.27Å; F514-A516 PolarHBondContact O-N 3.41Å |
| 515 | Q | 54.3 | Low | 71.3 | Confident | 41 Ų | 41 | 73.3 Ų | 73.3 | 19% | 0.192 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -83.1 | 6.8 | -168.7 | -137.1 | 124.5 | 81.3 | 0 | 0 | 115.2 | M510 A517 A518 L527 | M510-Q515 WeakPolarHBondContact O-CB 3.24Å; M510-Q515 PolarHBondContact O-NE2 3.04Å; M510-Q515 PolarHBondContact O-OE1 3.21Å; Q515-A517 PolarHBondContact O-N 3.45Å; Q515-A517 VanDerWaalsContact O-N 3.1Å; Q515-A518 HydrophobicContact CB-CB 4.45Å; Q515-A518 HydrophobicContact CG-CB 3.39Å; Q515-A518 PolarHBondContact O-N 2.97Å; Q515-L527 HydrophobicContact CG-CD1 4.41Å |
| 516 | A | 52.5 | Low | 70.8 | Confident | 116 Ų | 116 | 79.5 Ų | 79.5 | 96% | 0.959 | 45% | 0.454 | S | S | * | . | G | 310 helix | trans | -62.4 | -13.4 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | F514 | F514-A516 VanDerWaalsContact C-N 3.27Å; F514-A516 PolarHBondContact O-N 3.41Å |
| 517 | A | 53.9 | Low | 70.5 | Confident | 91 Ų | 91 | 78.1 Ų | 78.1 | 75% | 0.752 | 45% | 0.451 | S | S | * | . | G | 310 helix | trans | -107.4 | 6.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q515 | Q515-A517 PolarHBondContact O-N 3.45Å; Q515-A517 VanDerWaalsContact O-N 3.1Å |
| 518 | A | 62.7 | Low | 70.2 | Confident | 30 Ų | 30 | 74 Ų | 74 | 25% | 0.248 | 43% | 0.432 | C | S | . | . | P | Polyproline II helix | trans | -78 | 131.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q515 K520 L527 | Q515-A518 HydrophobicContact CB-CB 4.45Å; Q515-A518 HydrophobicContact CG-CB 3.39Å; Q515-A518 PolarHBondContact O-N 2.97Å; A518-K520 PolarHBondContact O-N 2.9Å; A518-L527 HydrophobicContact CB-CD2 4.37Å |
| 519 | E | 70.9 | Confident | 69.6 | Low | 69 Ų | 69 | 78.1 Ų | 78.1 | 32% | 0.322 | 45% | 0.454 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 118.6 | -178.5 | -56.9 | -178.9 | 145 | 0 | 0 | 109.3 | I528 Q534 S539 | E519-I528 WeakPolarHBondContact O-CB 3.46Å; E519-I528 WeakPolarHBondContact O-CG1 3.27Å; E519-I528 PolarHBondContact O-N 2.93Å; E519-I528 VanDerWaalsContact O-N 3.07Å; E519-Q534 PolarHBondContact OE1-NE2 2.98Å; E519-Q534 PolarHBondContact OE2-NE2 3.18Å; E519-S539 VanDerWaalsContact CD-OG 3.22Å; E519-S539 VanDerWaalsContact OE2-CB 3.31Å; E519-S539 WeakPolarHBondContact OE2-CB 3.36Å; E519-S539 PolarHBondContact OE2-OG 3.17Å |
| 520 | K | 79.3 | Confident | 69 | Low | 141 Ų | 141 | 83 Ų | 83 | 61% | 0.613 | 48% | 0.479 | S | S | * | . | B | Isolated β-bridge | trans | -71.9 | 141.9 | 171 | 62.9 | -178.4 | -179.7 | 178.1 | 0 | 109.8 | A518 S522 L527 | A518-K520 PolarHBondContact O-N 2.9Å; K520-S522 PolarHBondContact O-N 3.43Å; K520-L527 HydrophobicContact CB-CD2 4.5Å |
| 521 | C | 83.7 | Confident | 68.1 | Low | 1 Ų | 1 | 86.1 Ų | 86.1 | 1% | 0.007 | 49% | 0.493 | C | S | . | . | B | Isolated β-bridge | trans | -71.1 | 123.2 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 111.1 | V523 C524 G525 H526 I528 S539 H541 | C521-V523 PolarHBondContact O-N 2.91Å; C521-V523 VanDerWaalsContact O-N 3.09Å; C521-C524 PolarHBondContact O-N 2.8Å; C521-G525 WeakPolarHBondContact O-CA 3.43Å; C521-G525 PolarHBondContact O-N 3.31Å; C521-H526 PolarHBondContact N-O 3.13Å; C521-I528 HydrophobicContact CB-CD1 3.99Å; C521-I528 HydrophobicContact CB-CG1 3.91Å; C521-S539 WeakPolarHBondContact CA-O 3.45Å; C521-H541 VanDerWaalsContact CB-CE1 3.4Å; C521-H541 WeakPolarHBondContact CB-CE1 3.37Å; C521-H541 WeakPolarHBondContact CB-ND1 3.38Å; C521-H541 PolarHBondContact SG-ND1 3.34Å |
| 522 | S | 79.4 | Confident | 67.9 | Low | 62 Ų | 62 | 83.3 Ų | 83.3 | 43% | 0.434 | 48% | 0.483 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.6 | -10.5 | -177 | -55.4 | 0 | 0 | 0 | 0 | 114.6 | K520 N538 S539 | K520-S522 PolarHBondContact O-N 3.43Å; S522-N538 PolarHBondContact OG-OD1 2.89Å; S522-S539 PolarHBondContact N-O 2.94Å |
| 523 | V | 80.8 | Confident | 67.8 | Low | 93 Ų | 93 | 82.1 Ų | 82.1 | 56% | 0.564 | 47% | 0.471 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | -42.2 | 177.6 | 172.7 | 0 | 0 | 0 | 0 | 113 | C521 Y540 C544 | C521-V523 PolarHBondContact O-N 2.91Å; C521-V523 VanDerWaalsContact O-N 3.09Å; V523-Y540 HydrophobicContact CG2-CD1 3.78Å; V523-Y540 HydrophobicContact CG2-CE1 3.89Å; V523-C544 HydrophobicContact CB-CB 4.15Å; V523-C544 HydrophobicContact CG1-CB 4.22Å |
| 524 | C | 81 | Confident | 68.3 | Low | 50 Ų | 50 | 85 Ų | 85 | 34% | 0.338 | 47% | 0.472 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | -0.9 | -175 | 66.7 | 0 | 0 | 0 | 0 | 114.8 | C521 H526 H541 | C521-C524 PolarHBondContact O-N 2.8Å; C524-H526 PolarHBondContact O-CD2 2.94Å; C524-H526 VanDerWaalsContact O-CD2 3.25Å; C524-H526 PolarHBondContact O-N 3.28Å; C524-H541 VanDerWaalsContact SG-CE1 3.54Å; C524-H541 PolarHBondContact SG-ND1 3.39Å |
| 525 | G | 74.8 | Confident | 68.6 | Low | 49 Ų | 49 | 77.5 Ų | 77.5 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | trans | 71.9 | -16.7 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | C521 | C521-G525 WeakPolarHBondContact O-CA 3.43Å; C521-G525 PolarHBondContact O-N 3.31Å | ||
| 526 | H | 76.1 | Confident | 69.3 | Low | 137 Ų | 137 | 80.5 Ų | 80.5 | 63% | 0.634 | 46% | 0.461 | S | S | * | . | trans | -69.7 | 149.2 | -179.6 | -63 | -175.9 | 0 | 0 | 0 | 112 | C521 C524 | C521-H526 PolarHBondContact N-O 3.13Å; C524-H526 PolarHBondContact O-CD2 2.94Å; C524-H526 VanDerWaalsContact O-CD2 3.25Å; C524-H526 PolarHBondContact O-N 3.28Å | ||
| 527 | L | 75.4 | Confident | 70.3 | Confident | 67 Ų | 67 | 78.2 Ų | 78.2 | 35% | 0.351 | 45% | 0.449 | S | S | . | . | B | Isolated β-bridge | trans | -67.4 | 131.3 | 177.1 | -63.1 | 171.9 | 0 | 0 | 0 | 111.1 | F511 Q515 A518 K520 L529 | F511-L527 HydrophobicContact CE2-CD1 4.24Å; Q515-L527 HydrophobicContact CG-CD1 4.41Å; A518-L527 HydrophobicContact CB-CD2 4.37Å; K520-L527 HydrophobicContact CB-CD2 4.5Å; L527-L529 PolarHBondContact O-N 3.01Å |
| 528 | I | 73.2 | Confident | 71.3 | Confident | 13 Ų | 13 | 76.4 Ų | 76.4 | 7% | 0.067 | 43% | 0.426 | C | S | . | . | trans | -83.5 | 114.6 | 175.2 | -56.8 | 166.1 | 0 | 0 | 0 | 108.4 | E519 C521 I532 S539 | E519-I528 WeakPolarHBondContact O-CB 3.46Å; E519-I528 WeakPolarHBondContact O-CG1 3.27Å; E519-I528 PolarHBondContact O-N 2.93Å; E519-I528 VanDerWaalsContact O-N 3.07Å; C521-I528 HydrophobicContact CB-CD1 3.99Å; C521-I528 HydrophobicContact CB-CG1 3.91Å; I528-I532 HydrophobicContact CG2-CG2 3.98Å; I528-S539 VanDerWaalsContact CD1-C 3.5Å | ||
| 529 | L | 66.6 | Low | 72.2 | Confident | 108 Ų | 108 | 75.1 Ų | 75.1 | 57% | 0.565 | 42% | 0.416 | S | S | * | . | trans | -94.6 | -10.5 | -178.7 | -65.6 | 172.4 | 0 | 0 | 0 | 113.9 | L527 | L527-L529 PolarHBondContact O-N 3.01Š| ||
| 530 | E | 66.1 | Low | 72.8 | Confident | 171 Ų | 171 | 72.1 Ų | 72.1 | 80% | 0.799 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -129.9 | -160.8 | -173.3 | -62.5 | -164.8 | 145.5 | 0 | 0 | 112 | I532 | E530-I532 PolarHBondContact O-N 2.94Å; E530-I532 VanDerWaalsContact O-N 3.11Å |
| 531 | Q | 56 | Low | 73 | Confident | 152 Ų | 152 | 67.6 Ų | 67.6 | 71% | 0.71 | 38% | 0.382 | S | S | * | . | trans | -53.8 | 112.9 | -172.3 | -173.9 | 175.2 | -66.3 | 0 | 0 | 113 | L533 | Q531-L533 PolarHBondContact O-N 3.5Š| ||
| 532 | I | 62.9 | Low | 72.8 | Confident | 82 Ų | 82 | 70.2 Ų | 70.2 | 42% | 0.421 | 40% | 0.399 | S | S | . | . | trans | -72.1 | 123 | 179.4 | 50.1 | 169.9 | 0 | 0 | 0 | 112 | I528 E530 | I528-I532 HydrophobicContact CG2-CG2 3.98Å; E530-I532 PolarHBondContact O-N 2.94Å; E530-I532 VanDerWaalsContact O-N 3.11Å | ||
| 533 | L | 63.6 | Low | 72.7 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 21% | 0.209 | 40% | 0.401 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 101.8 | 153.9 | -68.5 | -177.6 | 0 | 0 | 0 | 107.3 | Q531 Y540 P542 F545 | Q531-L533 PolarHBondContact O-N 3.5Å; L533-Y540 PolarHBondContact O-N 3.47Å; L533-P542 HydrophobicContact CD1-CB 4.41Å; L533-F545 HydrophobicContact CD1-CB 3.95Å; L533-F545 HydrophobicContact CD1-CD1 3.91Å; L533-F545 HydrophobicContact CD1-CG 3.99Å |
| 534 | Q | 67.8 | Low | 72.9 | Confident | 108 Ų | 108 | 66.5 Ų | 66.5 | 51% | 0.505 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 121.7 | -179.8 | -169.6 | 172.3 | 64.2 | 0 | 0 | 110 | E519 N538 | E519-Q534 PolarHBondContact OE1-NE2 2.98Å; E519-Q534 PolarHBondContact OE2-NE2 3.18Å; Q534-N538 CarbonylContact C-O 3.59Å; Q534-N538 WeakPolarHBondContact CA-O 3.31Å |
| 535 | A | 60.4 | Low | 73.1 | Confident | 7 Ų | 7 | 64.3 Ų | 64.3 | 6% | 0.058 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 123.6 | -178.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | G537 N538 Y540 F545 F559 | A535-G537 VanDerWaalsContact C-N 3.28Å; A535-G537 PolarHBondContact O-N 3.38Å; A535-N538 PolarHBondContact N-O 2.99Å; A535-N538 PolarHBondContact O-N 2.84Å; A535-N538 VanDerWaalsContact O-N 3.11Å; A535-N538 VanDerWaalsContact O-O 3.08Å; A535-Y540 HydrophobicContact CB-CD2 4.38Å; A535-Y540 HydrophobicContact CB-CE2 4.03Å; A535-F545 HydrophobicContact CB-CE2 3.97Å; A535-F545 HydrophobicContact CB-CZ 4.42Å; A535-F559 HydrophobicContact CB-CE2 3.86Å; A535-F559 HydrophobicContact CB-CZ 3.87Å |
| 536 | V | 68.9 | Low | 73.8 | Confident | 104 Ų | 104 | 67.5 Ų | 67.5 | 63% | 0.63 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.7 | 42 | -178.5 | -160.4 | 0 | 0 | 0 | 0 | 112.3 | N538 V561 | V536-N538 PolarHBondContact O-N 3.16Å; V536-V561 HydrophobicContact CG2-CB 3.75Å; V536-V561 HydrophobicContact CG2-CG1 3.83Å; V536-V561 HydrophobicContact CG2-CG2 3.91Å |
| 537 | G | 72 | Confident | 74.4 | Confident | 67 Ų | 67 | 61.1 Ų | 61.1 | 69% | 0.691 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.4 | -3.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A535 | A535-G537 VanDerWaalsContact C-N 3.28Å; A535-G537 PolarHBondContact O-N 3.38Å |
| 538 | N | 76.6 | Confident | 75 | Confident | 53 Ų | 53 | 62.3 Ų | 62.3 | 28% | 0.283 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 151.4 | 171.2 | -77.9 | -66.5 | 0 | 0 | 0 | 110 | S522 Q534 A535 V536 Y540 | S522-N538 PolarHBondContact OG-OD1 2.89Å; Q534-N538 CarbonylContact C-O 3.59Å; Q534-N538 WeakPolarHBondContact CA-O 3.31Å; A535-N538 PolarHBondContact N-O 2.99Å; A535-N538 PolarHBondContact O-N 2.84Å; A535-N538 VanDerWaalsContact O-N 3.11Å; A535-N538 VanDerWaalsContact O-O 3.08Å; V536-N538 PolarHBondContact O-N 3.16Å; N538-Y540 HydrophobicContact CB-CE2 3.69Å; N538-Y540 VanDerWaalsContact CB-OH 3.27Å; N538-Y540 WeakPolarHBondContact CB-OH 3.49Å; N538-Y540 WeakPolarHBondContact O-CE2 3.44Å |
| 539 | S | 81 | Confident | 75.8 | Confident | 3 Ų | 3 | 65.7 Ų | 65.7 | 2% | 0.021 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 145.7 | -177.2 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | E519 C521 S522 I528 | E519-S539 VanDerWaalsContact CD-OG 3.22Å; E519-S539 VanDerWaalsContact OE2-CB 3.31Å; E519-S539 WeakPolarHBondContact OE2-CB 3.36Å; E519-S539 PolarHBondContact OE2-OG 3.17Å; C521-S539 WeakPolarHBondContact CA-O 3.45Å; S522-S539 PolarHBondContact N-O 2.94Å; I528-S539 VanDerWaalsContact CD1-C 3.5Å |
| 540 | Y | 83.6 | Confident | 76.8 | Confident | 7 Ų | 7 | 62.2 Ų | 62.2 | 3% | 0.027 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 140.3 | -170 | -54.5 | -88.8 | 0 | 0 | 0 | 111.1 | V523 L533 A535 N538 F545 I567 | V523-Y540 HydrophobicContact CG2-CD1 3.78Å; V523-Y540 HydrophobicContact CG2-CE1 3.89Å; L533-Y540 PolarHBondContact O-N 3.47Å; A535-Y540 HydrophobicContact CB-CD2 4.38Å; A535-Y540 HydrophobicContact CB-CE2 4.03Å; N538-Y540 HydrophobicContact CB-CE2 3.69Å; N538-Y540 VanDerWaalsContact CB-OH 3.27Å; N538-Y540 WeakPolarHBondContact CB-OH 3.49Å; N538-Y540 WeakPolarHBondContact O-CE2 3.44Å; Y540-F545 AromaticContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CE2 4.15Å; Y540-F545 AromaticContact CG-CD2 3.85Å; Y540-F545 HydrophobicContact CG-CD2 3.85Å; Y540-I567 HydrophobicContact CD1-CD1 4.09Å; Y540-I567 HydrophobicContact CE1-CD1 3.77Å; Y540-I567 HydrophobicContact CE2-CD1 4.27Å; Y540-I567 HydrophobicContact CG-CD1 4.47Å |
| 541 | H | 82.9 | Confident | 77.8 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 21% | 0.213 | 34% | 0.341 | C | S | . | . | trans | -62.6 | 143.6 | 163.4 | -62.5 | 104.1 | 0 | 0 | 0 | 109.4 | C521 C524 G543 C544 F545 | C521-H541 VanDerWaalsContact CB-CE1 3.4Å; C521-H541 WeakPolarHBondContact CB-CE1 3.37Å; C521-H541 WeakPolarHBondContact CB-ND1 3.38Å; C521-H541 PolarHBondContact SG-ND1 3.34Å; C524-H541 VanDerWaalsContact SG-CE1 3.54Å; C524-H541 PolarHBondContact SG-ND1 3.39Å; H541-G543 PolarHBondContact O-N 3.11Å; H541-G543 VanDerWaalsContact O-N 3.16Å; H541-C544 HydrophobicContact CB-CB 4.03Å; H541-C544 CarbonylContact O-C 3.55Å; H541-C544 WeakPolarHBondContact O-CA 3.21Å; H541-C544 PolarHBondContact O-N 3.2Å; H541-F545 PolarHBondContact O-N 3.38Å | ||
| 542 | P | 79.4 | Confident | 79.2 | Confident | 55 Ų | 55 | 57.6 Ų | 57.6 | 36% | 0.357 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -38.5 | 172.7 | -28.2 | 35.4 | 0 | 0 | 0 | 113.1 | L533 C544 F545 | L533-P542 HydrophobicContact CD1-CB 4.41Å; P542-C544 VanDerWaalsContact C-N 3.31Å; P542-C544 PolarHBondContact O-N 3.47Å; P542-F545 PolarHBondContact O-N 3.33Å |
| 543 | G | 77.9 | Confident | 80.3 | Confident | 46 Ų | 46 | 55.9 Ų | 55.9 | 47% | 0.474 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -15.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | H541 R546 | H541-G543 PolarHBondContact O-N 3.11Å; H541-G543 VanDerWaalsContact O-N 3.16Å; G543-R546 PolarHBondContact O-NE 3.23Å; G543-R546 PolarHBondContact O-NH2 3.15Å |
| 544 | C | 83.6 | Confident | 81.2 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 22% | 0.216 | 33% | 0.327 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | -17 | 176.9 | -66.4 | 0 | 0 | 0 | 0 | 113.1 | V523 H541 P542 R546 | V523-C544 HydrophobicContact CB-CB 4.15Å; V523-C544 HydrophobicContact CG1-CB 4.22Å; H541-C544 HydrophobicContact CB-CB 4.03Å; H541-C544 CarbonylContact O-C 3.55Å; H541-C544 WeakPolarHBondContact O-CA 3.21Å; H541-C544 PolarHBondContact O-N 3.2Å; P542-C544 VanDerWaalsContact C-N 3.31Å; P542-C544 PolarHBondContact O-N 3.47Å; C544-R546 VanDerWaalsContact C-N 3.34Å; C544-R546 PolarHBondContact O-N 3.17Å |
| 545 | F | 86.1 | Confident | 81.9 | Confident | 4 Ų | 4 | 53.8 Ų | 53.8 | 2% | 0.018 | 33% | 0.328 | C | S | . | . | trans | -76.8 | 81.5 | -177.8 | -167.7 | -107.2 | 0 | 0 | 0 | 111.2 | L533 A535 Y540 H541 P542 A553 L554 F559 I567 | L533-F545 HydrophobicContact CD1-CB 3.95Å; L533-F545 HydrophobicContact CD1-CD1 3.91Å; L533-F545 HydrophobicContact CD1-CG 3.99Å; A535-F545 HydrophobicContact CB-CE2 3.97Å; A535-F545 HydrophobicContact CB-CZ 4.42Å; Y540-F545 AromaticContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CD2 3.87Å; Y540-F545 HydrophobicContact CD2-CE2 4.15Å; Y540-F545 AromaticContact CG-CD2 3.85Å; Y540-F545 HydrophobicContact CG-CD2 3.85Å; H541-F545 PolarHBondContact O-N 3.38Å; P542-F545 PolarHBondContact O-N 3.33Å; F545-A553 WeakPolarHBondContact O-CA 3.31Å; F545-L554 HydrophobicContact CD1-CB 3.88Å; F545-L554 HydrophobicContact CE1-CB 3.71Å; F545-L554 PolarHBondContact O-N 3.31Å; F545-F559 AromaticContact CE1-CD1 3.68Å; F545-F559 HydrophobicContact CE1-CD1 3.68Å; F545-F559 AromaticContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CG 4.07Å; F545-F559 HydrophobicContact CE1-CZ 4.48Å; F545-F559 HydrophobicContact CE2-CE2 4.49Å; F545-F559 AromaticContact CZ-CD1 3.56Å; F545-F559 HydrophobicContact CZ-CD1 3.56Å; F545-F559 AromaticContact CZ-CD2 3.79Å; F545-F559 HydrophobicContact CZ-CD2 3.79Å; F545-F559 AromaticContact CZ-CE1 3.56Å; F545-F559 HydrophobicContact CZ-CE1 3.56Å; F545-F559 AromaticContact CZ-CE2 3.8Å; F545-F559 HydrophobicContact CZ-CE2 3.8Å; F545-F559 AromaticContact CZ-CG 3.69Å; F545-F559 HydrophobicContact CZ-CG 3.69Å; F545-F559 AromaticContact CZ-CZ 3.68Å; F545-F559 HydrophobicContact CZ-CZ 3.68Å; F545-I567 HydrophobicContact CD2-CD1 3.71Å; F545-I567 HydrophobicContact CE2-CD1 3.65Å; F545-I567 HydrophobicContact CE2-CG1 4.35Å; F545-I567 HydrophobicContact CE2-CG2 4.15Å; F545-I567 HydrophobicContact CZ-CG2 4.14Å | ||
| 546 | R | 89.1 | Confident | 82.7 | Confident | 116 Ų | 116 | 57.4 Ų | 57.4 | 44% | 0.438 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -127.8 | 150.7 | -169.4 | -66.5 | 174 | -178.4 | -89 | -3.9 | 112.3 | G543 C544 S551 K552 A553 | G543-R546 PolarHBondContact O-NE 3.23Å; G543-R546 PolarHBondContact O-NH2 3.15Å; C544-R546 VanDerWaalsContact C-N 3.34Å; C544-R546 PolarHBondContact O-N 3.17Å; R546-S551 VanDerWaalsContact CD-O 3.31Å; R546-S551 WeakPolarHBondContact CD-O 3.32Å; R546-S551 WeakPolarHBondContact CG-O 3.39Å; R546-S551 PolarHBondContact NH1-O 2.88Å; R546-K552 VanDerWaalsContact CA-O 3.24Å; R546-K552 WeakPolarHBondContact CA-O 3.45Å; R546-A553 HydrophobicContact CG-CB 4.43Å |
| 547 | C | 89.9 | Confident | 83.3 | Confident | 3 Ų | 3 | 55.7 Ų | 55.7 | 2% | 0.02 | 36% | 0.355 | C | S | . | . | trans | -67.3 | 131.1 | 168.6 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | V549 S551 K552 L554 I567 C569 | C547-V549 PolarHBondContact O-N 3.15Å; C547-V549 PolarHBondContact SG-N 3.33Å; C547-V549 VanDerWaalsContact SG-N 3.39Å; C547-S551 WeakPolarHBondContact O-CA 3.46Å; C547-S551 PolarHBondContact O-N 2.87Å; C547-K552 PolarHBondContact N-O 3.05Å; C547-L554 HydrophobicContact CB-CD1 4.06Å; C547-L554 HydrophobicContact CB-CD2 4.26Å; C547-L554 HydrophobicContact CB-CG 4.4Å; C547-I567 WeakPolarHBondContact CA-O 3.24Å; C547-C569 HydrophobicContact CB-CB 4.19Å; C547-C569 PolarHBondContact SG-N 3.15Å | ||
| 548 | V | 88.3 | Confident | 83.7 | Confident | 91 Ų | 91 | 57.2 Ų | 57.2 | 55% | 0.552 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | -32 | 176.4 | 177.3 | 0 | 0 | 0 | 0 | 112.5 | N566 I567 Y568 | V548-N566 HydrophobicContact CG2-CB 4.27Å; V548-I567 PolarHBondContact N-O 2.89Å; V548-Y568 HydrophobicContact CB-CE1 4.49Å |
| 549 | V | 87.9 | Confident | 84.2 | Confident | 85 Ų | 85 | 58.6 Ų | 58.6 | 52% | 0.515 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.1 | -52.4 | -176.7 | 178.7 | 0 | 0 | 0 | 0 | 112.5 | C547 Y568 D572 | C547-V549 PolarHBondContact O-N 3.15Å; C547-V549 PolarHBondContact SG-N 3.33Å; C547-V549 VanDerWaalsContact SG-N 3.39Å; V549-Y568 HydrophobicContact CG2-CD1 3.78Å; V549-Y568 HydrophobicContact CG2-CE1 3.76Å; V549-D572 HydrophobicContact CB-CB 4.06Å; V549-D572 HydrophobicContact CG1-CB 4.15Å; V549-D572 HydrophobicContact CG2-CB 4.45Å |
| 550 | C | 88.4 | Confident | 84.4 | Confident | 35 Ų | 35 | 60.1 Ų | 60.1 | 24% | 0.236 | 37% | 0.366 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 0.8 | -174.9 | 69.5 | 0 | 0 | 0 | 0 | 115.6 | K552 D572 | C550-K552 HydrophobicContact CB-CG 4.37Å; C550-K552 PolarHBondContact O-N 3.18Å; C550-D572 VanDerWaalsContact CB-OD2 3.27Å; C550-D572 WeakPolarHBondContact CB-OD2 3.35Å; C550-D572 PolarHBondContact SG-OD2 3.39Å |
| 551 | S | 86.4 | Confident | 84.6 | Confident | 80 Ų | 80 | 61.6 Ų | 61.6 | 56% | 0.559 | 38% | 0.375 | S | S | * | . | trans | 58.7 | -0.9 | -179.2 | 78 | 0 | 0 | 0 | 0 | 117 | R546 C547 | R546-S551 VanDerWaalsContact CD-O 3.31Å; R546-S551 WeakPolarHBondContact CD-O 3.32Å; R546-S551 WeakPolarHBondContact CG-O 3.39Å; R546-S551 PolarHBondContact NH1-O 2.88Å; C547-S551 WeakPolarHBondContact O-CA 3.46Å; C547-S551 PolarHBondContact O-N 2.87Å | ||
| 552 | K | 85.6 | Confident | 84.7 | Confident | 145 Ų | 145 | 61 Ų | 61 | 63% | 0.63 | 37% | 0.374 | S | S | * | . | trans | -64 | 137.5 | 177.3 | -64.3 | 179.9 | -177.3 | 178.4 | 0 | 109.7 | R546 C547 C550 | R546-K552 VanDerWaalsContact CA-O 3.24Å; R546-K552 WeakPolarHBondContact CA-O 3.45Å; C547-K552 PolarHBondContact N-O 3.05Å; C550-K552 HydrophobicContact CB-CG 4.37Å; C550-K552 PolarHBondContact O-N 3.18Å | ||
| 553 | A | 86.1 | Confident | 84.9 | Confident | 47 Ų | 47 | 66.2 Ų | 66.2 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | B | Isolated β-bridge | trans | -65.9 | 140.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.4 | F545 R546 | F545-A553 WeakPolarHBondContact O-CA 3.31Å; R546-A553 HydrophobicContact CG-CB 4.43Å |
| 554 | L | 84.2 | Confident | 85 | Confident | 6 Ų | 6 | 70.1 Ų | 70.1 | 3% | 0.031 | 40% | 0.399 | C | S | . | . | trans | -109.5 | 25.4 | -175.8 | -53.5 | -178.5 | 0 | 0 | 0 | 112.2 | F545 C547 G556 V557 F559 I567 C569 | F545-L554 HydrophobicContact CD1-CB 3.88Å; F545-L554 HydrophobicContact CE1-CB 3.71Å; F545-L554 PolarHBondContact O-N 3.31Å; C547-L554 HydrophobicContact CB-CD1 4.06Å; C547-L554 HydrophobicContact CB-CD2 4.26Å; C547-L554 HydrophobicContact CB-CG 4.4Å; L554-G556 PolarHBondContact O-N 3.12Å; L554-V557 HydrophobicContact CB-CB 4.42Å; L554-V557 HydrophobicContact CD2-CG1 4.44Å; L554-V557 PolarHBondContact O-N 3.35Å; L554-V557 VanDerWaalsContact O-N 3.12Å; L554-F559 HydrophobicContact CB-CB 4.38Å; L554-F559 HydrophobicContact CD1-CB 3.69Å; L554-I567 HydrophobicContact CD1-CG2 3.8Å; L554-C569 HydrophobicContact CD1-CB 4.14Å; L554-C569 HydrophobicContact CD2-CB 3.56Å | ||
| 555 | D | 81.6 | Confident | 84.8 | Confident | 98 Ų | 98 | 71.1 Ų | 71.1 | 52% | 0.524 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | 124.2 | 175.4 | -171.4 | 19.7 | 0 | 0 | 0 | 110.5 | V557 | D555-V557 PolarHBondContact O-N 2.89Å; D555-V557 VanDerWaalsContact O-N 3.14Å |
| 556 | G | 76.9 | Confident | 84.8 | Confident | 82 Ų | 82 | 74 Ų | 74 | 85% | 0.845 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 0.8 | -172.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | L554 | L554-G556 PolarHBondContact O-N 3.12Š|
| 557 | V | 81.5 | Confident | 84.6 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 42% | 0.418 | 40% | 0.403 | S | S | . | . | S | Bend | trans | -102 | 137 | -176.6 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | L554 D555 F559 | L554-V557 HydrophobicContact CB-CB 4.42Å; L554-V557 HydrophobicContact CD2-CG1 4.44Å; L554-V557 PolarHBondContact O-N 3.35Å; L554-V557 VanDerWaalsContact O-N 3.12Å; D555-V557 PolarHBondContact O-N 2.89Å; D555-V557 VanDerWaalsContact O-N 3.14Å; V557-F559 PolarHBondContact O-N 3.49Å |
| 558 | P | 81.5 | Confident | 84.6 | Confident | 98 Ų | 98 | 70 Ų | 70 | 64% | 0.636 | 41% | 0.407 | S | S | * | . | trans | -60.9 | 128.3 | 173.3 | 25.9 | -34.7 | 0 | 0 | 0 | 111.1 | V570 | P558-V570 HydrophobicContact CB-CG2 4.18Å; P558-V570 WeakPolarHBondContact O-CG2 3.44Å | ||
| 559 | F | 86.4 | Confident | 84.7 | Confident | 82 Ų | 82 | 66.4 Ų | 66.4 | 36% | 0.36 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 165.1 | -177.2 | 66 | -91.7 | 0 | 0 | 0 | 110.5 | A535 F545 L554 V557 V561 I567 Y568 | A535-F559 HydrophobicContact CB-CE2 3.86Å; A535-F559 HydrophobicContact CB-CZ 3.87Å; F545-F559 AromaticContact CE1-CD1 3.68Å; F545-F559 HydrophobicContact CE1-CD1 3.68Å; F545-F559 AromaticContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CE1 3.91Å; F545-F559 HydrophobicContact CE1-CG 4.07Å; F545-F559 HydrophobicContact CE1-CZ 4.48Å; F545-F559 HydrophobicContact CE2-CE2 4.49Å; F545-F559 AromaticContact CZ-CD1 3.56Å; F545-F559 HydrophobicContact CZ-CD1 3.56Å; F545-F559 AromaticContact CZ-CD2 3.79Å; F545-F559 HydrophobicContact CZ-CD2 3.79Å; F545-F559 AromaticContact CZ-CE1 3.56Å; F545-F559 HydrophobicContact CZ-CE1 3.56Å; F545-F559 AromaticContact CZ-CE2 3.8Å; F545-F559 HydrophobicContact CZ-CE2 3.8Å; F545-F559 AromaticContact CZ-CG 3.69Å; F545-F559 HydrophobicContact CZ-CG 3.69Å; F545-F559 AromaticContact CZ-CZ 3.68Å; F545-F559 HydrophobicContact CZ-CZ 3.68Å; L554-F559 HydrophobicContact CB-CB 4.38Å; L554-F559 HydrophobicContact CD1-CB 3.69Å; V557-F559 PolarHBondContact O-N 3.49Å; F559-V561 HydrophobicContact CD2-CG2 3.81Å; F559-V561 HydrophobicContact CE2-CG2 3.78Å; F559-I567 HydrophobicContact CB-CG2 4.47Å; F559-I567 HydrophobicContact CD2-CG2 4.39Å; F559-Y568 WeakPolarHBondContact CA-O 3.35Å |
| 560 | T | 85.9 | Confident | 84.6 | Confident | 36 Ų | 36 | 64.9 Ų | 64.9 | 22% | 0.221 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 154.3 | 171.2 | 47.9 | 0 | 0 | 0 | 0 | 108.8 | Y568 V570 Y573 | T560-Y568 PolarHBondContact N-O 3.06Å; T560-Y568 PolarHBondContact O-N 3.1Å; T560-Y568 PolarHBondContact OG1-O 3.36Å; T560-V570 HydrophobicContact CG2-CG2 4.23Å; T560-Y573 HydrophobicContact CG2-CD1 4.2Å; T560-Y573 HydrophobicContact CG2-CG 4.23Å; T560-Y573 VanDerWaalsContact OG1-CB 3.25Å; T560-Y573 WeakPolarHBondContact OG1-CB 3.49Å; T560-Y573 WeakPolarHBondContact OG1-CD2 3.38Å |
| 561 | V | 87.3 | Confident | 84.4 | Confident | 38 Ų | 38 | 65.8 Ų | 65.8 | 23% | 0.23 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 129.8 | 175.6 | -175.3 | 0 | 0 | 0 | 0 | 107.8 | V536 F559 N566 I567 | V536-V561 HydrophobicContact CG2-CB 3.75Å; V536-V561 HydrophobicContact CG2-CG1 3.83Å; V536-V561 HydrophobicContact CG2-CG2 3.91Å; F559-V561 HydrophobicContact CD2-CG2 3.81Å; F559-V561 HydrophobicContact CE2-CG2 3.78Å; V561-N566 WeakPolarHBondContact CA-O 3.27Å; V561-I567 HydrophobicContact CG2-CG1 4.27Å |
| 562 | D | 84.9 | Confident | 84.4 | Confident | 33 Ų | 33 | 62.8 Ų | 62.8 | 18% | 0.176 | 36% | 0.364 | C | S | . | . | trans | -83.6 | 166.4 | -179 | 173.2 | 44.4 | 0 | 0 | 0 | 112 | H564 S565 N566 Y568 | D562-H564 PolarHBondContact O-N 3.29Å; D562-H564 IonicContact OD2-CD2 3.18Å; D562-H564 PolarHBondContact OD2-CD2 2.96Å; D562-H564 VanDerWaalsContact OD2-CD2 3.25Å; D562-H564 IonicContact OD2-CG 2.84Å; D562-S565 WeakPolarHBondContact O-CA 3.39Å; D562-S565 PolarHBondContact O-N 3.43Å; D562-N566 HydrophobicContact CB-CB 4.48Å; D562-N566 PolarHBondContact N-O 3.45Å; D562-Y568 HydrophobicContact CB-CD2 4.18Å; D562-Y568 HydrophobicContact CB-CE2 3.63Å | ||
| 563 | Q | 82.5 | Confident | 84.6 | Confident | 165 Ų | 165 | 59.4 Ų | 59.4 | 77% | 0.771 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | -26.3 | 178 | 70.8 | -172 | 1.5 | 0 | 0 | 113.4 | S565 | Q563-S565 VanDerWaalsContact C-N 3.27Å; Q563-S565 PolarHBondContact O-N 3.12Å |
| 564 | H | 81 | Confident | 84.5 | Confident | 127 Ų | 127 | 58.8 Ų | 58.8 | 59% | 0.588 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.2 | 13.9 | 176.3 | -59 | -62.1 | 0 | 0 | 0 | 113.9 | D562 N566 | D562-H564 PolarHBondContact O-N 3.29Å; D562-H564 IonicContact OD2-CD2 3.18Å; D562-H564 PolarHBondContact OD2-CD2 2.96Å; D562-H564 VanDerWaalsContact OD2-CD2 3.25Å; D562-H564 IonicContact OD2-CG 2.84Å; H564-N566 PolarHBondContact O-N 3.25Å |
| 565 | S | 79.3 | Confident | 84.5 | Confident | 53 Ų | 53 | 63.6 Ų | 63.6 | 37% | 0.371 | 36% | 0.359 | S | S | . | . | trans | 59.8 | 13.6 | -172.3 | -56.3 | 0 | 0 | 0 | 0 | 115.5 | D562 Q563 | D562-S565 WeakPolarHBondContact O-CA 3.39Å; D562-S565 PolarHBondContact O-N 3.43Å; Q563-S565 VanDerWaalsContact C-N 3.27Å; Q563-S565 PolarHBondContact O-N 3.12Å | ||
| 566 | N | 85.9 | Confident | 84.5 | Confident | 64 Ų | 64 | 62.6 Ų | 62.6 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | trans | -74.3 | 131 | 175.6 | -73.1 | -45.5 | 0 | 0 | 0 | 110.9 | V548 V561 D562 H564 Y568 | V548-N566 HydrophobicContact CG2-CB 4.27Å; V561-N566 WeakPolarHBondContact CA-O 3.27Å; D562-N566 HydrophobicContact CB-CB 4.48Å; D562-N566 PolarHBondContact N-O 3.45Å; H564-N566 PolarHBondContact O-N 3.25Å; N566-Y568 HydrophobicContact CB-CD2 4.43Å; N566-Y568 HydrophobicContact CB-CE2 3.57Å; N566-Y568 WeakPolarHBondContact O-CD2 3.39Å; N566-Y568 WeakPolarHBondContact O-CE2 3.43Å | ||
| 567 | I | 86 | Confident | 84.8 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 4% | 0.041 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 129.2 | -177 | -53.7 | 162.3 | 0 | 0 | 0 | 109.9 | Y540 F545 C547 V548 L554 F559 V561 | Y540-I567 HydrophobicContact CD1-CD1 4.09Å; Y540-I567 HydrophobicContact CE1-CD1 3.77Å; Y540-I567 HydrophobicContact CE2-CD1 4.27Å; Y540-I567 HydrophobicContact CG-CD1 4.47Å; F545-I567 HydrophobicContact CD2-CD1 3.71Å; F545-I567 HydrophobicContact CE2-CD1 3.65Å; F545-I567 HydrophobicContact CE2-CG1 4.35Å; F545-I567 HydrophobicContact CE2-CG2 4.15Å; F545-I567 HydrophobicContact CZ-CG2 4.14Å; C547-I567 WeakPolarHBondContact CA-O 3.24Å; V548-I567 PolarHBondContact N-O 2.89Å; L554-I567 HydrophobicContact CD1-CG2 3.8Å; F559-I567 HydrophobicContact CB-CG2 4.47Å; F559-I567 HydrophobicContact CD2-CG2 4.39Å; V561-I567 HydrophobicContact CG2-CG1 4.27Å |
| 568 | Y | 88.5 | Confident | 84.9 | Confident | 29 Ų | 29 | 61 Ų | 61 | 11% | 0.114 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 144.8 | 178.1 | -60.2 | -89.9 | 0 | 0 | 0 | 111.3 | V548 V549 F559 T560 D562 N566 Y573 F577 | V548-Y568 HydrophobicContact CB-CE1 4.49Å; V549-Y568 HydrophobicContact CG2-CD1 3.78Å; V549-Y568 HydrophobicContact CG2-CE1 3.76Å; F559-Y568 WeakPolarHBondContact CA-O 3.35Å; T560-Y568 PolarHBondContact N-O 3.06Å; T560-Y568 PolarHBondContact O-N 3.1Å; T560-Y568 PolarHBondContact OG1-O 3.36Å; D562-Y568 HydrophobicContact CB-CD2 4.18Å; D562-Y568 HydrophobicContact CB-CE2 3.63Å; N566-Y568 HydrophobicContact CB-CD2 4.43Å; N566-Y568 HydrophobicContact CB-CE2 3.57Å; N566-Y568 WeakPolarHBondContact O-CD2 3.39Å; N566-Y568 WeakPolarHBondContact O-CE2 3.43Å; Y568-Y573 HydrophobicContact CD2-CD2 4.22Å; Y568-Y573 HydrophobicContact CG-CD2 4.31Å; Y568-F577 HydrophobicContact CE2-CE2 4.45Å |
| 569 | C | 89.9 | Confident | 85.2 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 10% | 0.101 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.8 | 147.8 | 164.7 | 89.5 | 0 | 0 | 0 | 0 | 109.1 | C547 L554 A571 D572 Y573 | C547-C569 HydrophobicContact CB-CB 4.19Å; C547-C569 PolarHBondContact SG-N 3.15Å; L554-C569 HydrophobicContact CD1-CB 4.14Å; L554-C569 HydrophobicContact CD2-CB 3.56Å; C569-A571 PolarHBondContact O-N 3.47Å; C569-A571 VanDerWaalsContact O-N 3.15Å; C569-D572 PolarHBondContact O-N 2.96Å; C569-D572 PolarHBondContact SG-N 2.87Å; C569-D572 VanDerWaalsContact SG-N 3.36Å; C569-D572 PolarHBondContact SG-OD2 2.92Å; C569-Y573 WeakPolarHBondContact O-CB 3.25Å; C569-Y573 PolarHBondContact O-N 3.43Å |
| 570 | V | 85.8 | Confident | 85.3 | Confident | 53 Ų | 53 | 60.9 Ų | 60.9 | 32% | 0.321 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -54.4 | -37 | -178 | 168.9 | 0 | 0 | 0 | 0 | 112.2 | P558 T560 N574 | P558-V570 HydrophobicContact CB-CG2 4.18Å; P558-V570 WeakPolarHBondContact O-CG2 3.44Å; T560-V570 HydrophobicContact CG2-CG2 4.23Å; V570-N574 VanDerWaalsContact O-CB 3.27Å; V570-N574 WeakPolarHBondContact O-CB 3.22Å; V570-N574 PolarHBondContact O-N 3.29Å; V570-N574 PolarHBondContact O-ND2 3.14Å; V570-N574 PolarHBondContact O-OD1 3.27Å |
| 571 | A | 84.9 | Confident | 85.5 | Confident | 54 Ų | 54 | 59.2 Ų | 59.2 | 45% | 0.446 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.8 | -37.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | C569 K575 | C569-A571 PolarHBondContact O-N 3.47Å; C569-A571 VanDerWaalsContact O-N 3.15Å; A571-K575 WeakPolarHBondContact O-CD 3.5Å; A571-K575 WeakPolarHBondContact O-CE 2.9Å; A571-K575 WeakPolarHBondContact O-CG 3.41Å; A571-K575 PolarHBondContact O-N 3.48Å |
| 572 | D | 87.5 | Confident | 85.6 | Confident | 16 Ų | 16 | 59.2 Ų | 59.2 | 9% | 0.086 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -84.5 | -36.7 | -179.8 | -61 | -31.7 | 0 | 0 | 0 | 111.5 | V549 C550 C569 N574 K575 T576 | V549-D572 HydrophobicContact CB-CB 4.06Å; V549-D572 HydrophobicContact CG1-CB 4.15Å; V549-D572 HydrophobicContact CG2-CB 4.45Å; C550-D572 VanDerWaalsContact CB-OD2 3.27Å; C550-D572 WeakPolarHBondContact CB-OD2 3.35Å; C550-D572 PolarHBondContact SG-OD2 3.39Å; C569-D572 PolarHBondContact O-N 2.96Å; C569-D572 PolarHBondContact SG-N 2.87Å; C569-D572 VanDerWaalsContact SG-N 3.36Å; C569-D572 PolarHBondContact SG-OD2 2.92Å; D572-N574 VanDerWaalsContact C-N 3.32Å; D572-N574 PolarHBondContact O-N 3.44Å; D572-K575 PolarHBondContact O-N 3.31Å; D572-K575 VanDerWaalsContact O-N 3.12Å; D572-K575 IonicContact OD1-NZ 3.25Å; D572-K575 PolarHBondContact OD1-NZ 3.47Å; D572-T576 PolarHBondContact O-N 2.85Å; D572-T576 PolarHBondContact O-OG1 2.95Å; D572-T576 VanDerWaalsContact O-OG1 3.1Å |
| 573 | Y | 88.3 | Confident | 85.6 | Confident | 75 Ų | 75 | 60.5 Ų | 60.5 | 29% | 0.294 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 170 | -175.8 | -90.9 | 0 | 0 | 0 | 111.1 | T560 Y568 C569 K575 T576 F577 | T560-Y573 HydrophobicContact CG2-CD1 4.2Å; T560-Y573 HydrophobicContact CG2-CG 4.23Å; T560-Y573 VanDerWaalsContact OG1-CB 3.25Å; T560-Y573 WeakPolarHBondContact OG1-CB 3.49Å; T560-Y573 WeakPolarHBondContact OG1-CD2 3.38Å; Y568-Y573 HydrophobicContact CD2-CD2 4.22Å; Y568-Y573 HydrophobicContact CG-CD2 4.31Å; C569-Y573 WeakPolarHBondContact O-CB 3.25Å; C569-Y573 PolarHBondContact O-N 3.43Å; Y573-K575 VanDerWaalsContact C-N 3.34Å; Y573-K575 PolarHBondContact O-N 2.96Å; Y573-T576 PolarHBondContact O-N 3.15Å; Y573-T576 PolarHBondContact O-OG1 3.2Å; Y573-F577 HydrophobicContact CD1-CD2 4.28Å; Y573-F577 AromaticContact CD2-CD2 3.38Å; Y573-F577 HydrophobicContact CD2-CD2 3.38Å; Y573-F577 AromaticContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CG 4.49Å; Y573-F577 HydrophobicContact CE1-CB 4.36Å; Y573-F577 HydrophobicContact CE1-CD2 4.32Å; Y573-F577 AromaticContact CE2-CD2 3.42Å; Y573-F577 HydrophobicContact CE2-CD2 3.42Å; Y573-F577 VanDerWaalsContact CE2-CD2 3.42Å; Y573-F577 AromaticContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CG 4.24Å; Y573-F577 AromaticContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CE2 4.42Å; Y573-F577 AromaticContact CZ-CD2 3.91Å; Y573-F577 WeakPolarHBondContact O-CB 3.44Å; Y573-F577 WeakPolarHBondContact O-CD2 3.27Å; Y573-F577 PolarHBondContact O-N 2.91Å |
| 574 | N | 85.2 | Confident | 85.9 | Confident | 33 Ų | 33 | 54.9 Ų | 54.9 | 18% | 0.176 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.7 | -36.6 | 176.6 | -68.8 | -6.5 | 0 | 0 | 0 | 111.5 | V570 D572 T576 A578 L589 | V570-N574 VanDerWaalsContact O-CB 3.27Å; V570-N574 WeakPolarHBondContact O-CB 3.22Å; V570-N574 PolarHBondContact O-N 3.29Å; V570-N574 PolarHBondContact O-ND2 3.14Å; V570-N574 PolarHBondContact O-OD1 3.27Å; D572-N574 VanDerWaalsContact C-N 3.32Å; D572-N574 PolarHBondContact O-N 3.44Å; N574-T576 PolarHBondContact O-N 3.34Å; N574-A578 WeakPolarHBondContact O-CA 3.41Å; N574-A578 WeakPolarHBondContact O-CB 3.21Å; N574-A578 PolarHBondContact O-N 3.4Å; N574-L589 HydrophobicContact CB-CD2 3.69Å |
| 575 | K | 83.2 | Confident | 86.2 | Confident | 108 Ų | 108 | 54.6 Ų | 54.6 | 47% | 0.47 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.2 | -35.9 | 175.2 | -71.3 | 164.7 | -157.9 | 160.4 | 0 | 113.4 | A571 D572 Y573 L589 | A571-K575 WeakPolarHBondContact O-CD 3.5Å; A571-K575 WeakPolarHBondContact O-CE 2.9Å; A571-K575 WeakPolarHBondContact O-CG 3.41Å; A571-K575 PolarHBondContact O-N 3.48Å; D572-K575 PolarHBondContact O-N 3.31Å; D572-K575 VanDerWaalsContact O-N 3.12Å; D572-K575 IonicContact OD1-NZ 3.25Å; D572-K575 PolarHBondContact OD1-NZ 3.47Å; Y573-K575 VanDerWaalsContact C-N 3.34Å; Y573-K575 PolarHBondContact O-N 2.96Å; K575-L589 HydrophobicContact CG-CD1 4.17Å; K575-L589 HydrophobicContact CG-CD2 4.26Å |
| 576 | T | 81.3 | Confident | 86.5 | Confident | 76 Ų | 76 | 57.8 Ų | 57.8 | 47% | 0.466 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -84.8 | -33.7 | -177.8 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | D572 Y573 N574 | D572-T576 PolarHBondContact O-N 2.85Å; D572-T576 PolarHBondContact O-OG1 2.95Å; D572-T576 VanDerWaalsContact O-OG1 3.1Å; Y573-T576 PolarHBondContact O-N 3.15Å; Y573-T576 PolarHBondContact O-OG1 3.2Å; N574-T576 PolarHBondContact O-N 3.34Å |
| 577 | F | 83.1 | Confident | 86.6 | Confident | 103 Ų | 103 | 56.2 Ų | 56.2 | 45% | 0.452 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -116.3 | -5.1 | -171 | -57.7 | -71.5 | 0 | 0 | 0 | 115.5 | Y568 Y573 | Y568-F577 HydrophobicContact CE2-CE2 4.45Å; Y573-F577 HydrophobicContact CD1-CD2 4.28Å; Y573-F577 AromaticContact CD2-CD2 3.38Å; Y573-F577 HydrophobicContact CD2-CD2 3.38Å; Y573-F577 AromaticContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CE2 3.62Å; Y573-F577 HydrophobicContact CD2-CG 4.49Å; Y573-F577 HydrophobicContact CE1-CB 4.36Å; Y573-F577 HydrophobicContact CE1-CD2 4.32Å; Y573-F577 AromaticContact CE2-CD2 3.42Å; Y573-F577 HydrophobicContact CE2-CD2 3.42Å; Y573-F577 VanDerWaalsContact CE2-CD2 3.42Å; Y573-F577 AromaticContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CE2 3.71Å; Y573-F577 HydrophobicContact CE2-CG 4.24Å; Y573-F577 AromaticContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CD2 3.82Å; Y573-F577 HydrophobicContact CG-CE2 4.42Å; Y573-F577 AromaticContact CZ-CD2 3.91Å; Y573-F577 WeakPolarHBondContact O-CB 3.44Å; Y573-F577 WeakPolarHBondContact O-CD2 3.27Å; Y573-F577 PolarHBondContact O-N 2.91Å |
| 578 | A | 85.4 | Confident | 86.6 | Confident | 15 Ų | 15 | 55.9 Ų | 55.9 | 12% | 0.124 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -66.6 | 148.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | N574 K580 P587 L589 | N574-A578 WeakPolarHBondContact O-CA 3.41Å; N574-A578 WeakPolarHBondContact O-CB 3.21Å; N574-A578 PolarHBondContact O-N 3.4Å; A578-K580 PolarHBondContact O-N 2.93Å; A578-P587 HydrophobicContact CB-CB 4.17Å; A578-L589 HydrophobicContact CB-CD2 4.48Å |
| 579 | P | 86.6 | Confident | 86.3 | Confident | 42 Ų | 42 | 58 Ų | 58 | 27% | 0.273 | 32% | 0.32 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 139.1 | 170.4 | 25.9 | -34.3 | 0 | 0 | 0 | 110.2 | I588 D606 | P579-I588 WeakPolarHBondContact O-CG1 3.17Å; P579-I588 PolarHBondContact O-N 2.78Å; P579-D606 HydrophobicContact CB-CB 4.08Å; P579-D606 WeakPolarHBondContact CB-OD2 3.33Å |
| 580 | K | 89.1 | Confident | 85.7 | Confident | 136 Ų | 136 | 59.1 Ų | 59.1 | 59% | 0.591 | 33% | 0.327 | S | S | * | . | B | Isolated β-bridge | trans | -91.8 | 135.9 | 176.4 | -64.4 | 177.9 | -176.6 | 178.5 | 0 | 109.3 | A578 A582 Q586 | A578-K580 PolarHBondContact O-N 2.93Å; K580-A582 PolarHBondContact O-N 2.87Å; K580-Q586 WeakPolarHBondContact CA-O 3.5Å |
| 581 | C | 90.7 | Very high | 85.2 | Confident | 0 Ų | 0 | 61.4 Ų | 61.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | P | Polyproline II helix | trans | -65 | 129.7 | 176 | 168.2 | 0 | 0 | 0 | 0 | 110.7 | A583 L585 Q586 I588 D606 H608 | C581-A583 PolarHBondContact O-N 2.88Å; C581-A583 VanDerWaalsContact O-N 3.15Å; C581-A583 PolarHBondContact SG-N 2.7Å; C581-A583 VanDerWaalsContact SG-N 3.41Å; C581-L585 WeakPolarHBondContact O-CA 3.3Å; C581-L585 PolarHBondContact O-N 3.36Å; C581-Q586 PolarHBondContact N-O 2.72Å; C581-I588 HydrophobicContact CB-CD1 4.2Å; C581-I588 HydrophobicContact CB-CG1 4.09Å; C581-D606 CarbonylContact C-O 3.59Å; C581-D606 VanDerWaalsContact CA-O 3.3Å; C581-D606 WeakPolarHBondContact CA-O 3.39Å; C581-H608 VanDerWaalsContact CB-CE1 3.49Å; C581-H608 WeakPolarHBondContact CB-CE1 3.48Å; C581-H608 WeakPolarHBondContact CB-ND1 3.5Å |
| 582 | A | 88 | Confident | 84.3 | Confident | 38 Ų | 38 | 68.4 Ų | 68.4 | 31% | 0.314 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -13.7 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K580 K605 D606 Y607 | K580-A582 PolarHBondContact O-N 2.87Å; A582-K605 HydrophobicContact CB-CB 3.84Å; A582-K605 HydrophobicContact CB-CD 4.03Å; A582-K605 HydrophobicContact CB-CG 4.07Å; A582-D606 PolarHBondContact N-O 3.23Å; A582-Y607 HydrophobicContact CB-CD1 4.45Å; A582-Y607 HydrophobicContact CB-CE1 3.87Å |
| 583 | A | 86.6 | Confident | 83.3 | Confident | 60 Ų | 60 | 71.9 Ų | 71.9 | 50% | 0.496 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -40.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | C581 Y607 C611 | C581-A583 PolarHBondContact O-N 2.88Å; C581-A583 VanDerWaalsContact O-N 3.15Å; C581-A583 PolarHBondContact SG-N 2.7Å; C581-A583 VanDerWaalsContact SG-N 3.41Å; A583-Y607 HydrophobicContact CB-CD1 4.13Å; A583-Y607 HydrophobicContact CB-CE1 4.29Å; A583-C611 HydrophobicContact CB-CB 4.12Å |
| 584 | C | 88.4 | Confident | 82.4 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 32% | 0.324 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111 | -4.3 | -177.7 | 73 | 0 | 0 | 0 | 0 | 114.3 | Q586 H608 | C584-Q586 PolarHBondContact O-N 3.36Å; C584-Q586 PolarHBondContact O-NE2 3.4Å; C584-H608 PolarHBondContact SG-CE1 3.49Å; C584-H608 PolarHBondContact SG-ND1 3.41Å; C584-H608 VanDerWaalsContact SG-ND1 3.36Å |
| 585 | L | 86.3 | Confident | 81.5 | Confident | 121 Ų | 121 | 78.3 Ų | 78.3 | 63% | 0.634 | 44% | 0.441 | S | S | * | . | trans | 59.9 | 2.2 | -179.6 | -52.6 | 179 | 0 | 0 | 0 | 116.1 | C581 | C581-L585 WeakPolarHBondContact O-CA 3.3Å; C581-L585 PolarHBondContact O-N 3.36Å | ||
| 586 | Q | 86.7 | Confident | 81 | Confident | 119 Ų | 119 | 79.9 Ų | 79.9 | 56% | 0.556 | 45% | 0.45 | S | S | * | . | trans | -76.8 | 148.7 | 175 | -59.2 | -50.1 | -56 | 0 | 0 | 111.8 | K580 C581 C584 | K580-Q586 WeakPolarHBondContact CA-O 3.5Å; C581-Q586 PolarHBondContact N-O 2.72Å; C584-Q586 PolarHBondContact O-N 3.36Å; C584-Q586 PolarHBondContact O-NE2 3.4Å | ||
| 587 | P | 86.8 | Confident | 80.9 | Confident | 31 Ų | 31 | 79.2 Ų | 79.2 | 20% | 0.201 | 44% | 0.443 | C | S | . | . | B | Isolated β-bridge | trans | -62.6 | 140.3 | 172.8 | 27.1 | -34.3 | 0 | 0 | 0 | 111.1 | A578 L589 H608 | A578-P587 HydrophobicContact CB-CB 4.17Å; P587-L589 HydrophobicContact CB-CD2 4.34Å; P587-L589 HydrophobicContact CB-CG 4.44Å; P587-L589 HydrophobicContact CG-CG 4.4Å; P587-L589 PolarHBondContact O-N 3.2Å; P587-H608 PolarHBondContact O-NE2 3.25Å |
| 588 | I | 85.9 | Confident | 80.9 | Confident | 2 Ų | 2 | 80.2 Ų | 80.2 | 1% | 0.01 | 45% | 0.452 | C | S | . | . | trans | -86.7 | 89.6 | 174.3 | -47.7 | 174.9 | 0 | 0 | 0 | 108.3 | P579 C581 I597 R599 D606 | P579-I588 WeakPolarHBondContact O-CG1 3.17Å; P579-I588 PolarHBondContact O-N 2.78Å; C581-I588 HydrophobicContact CB-CD1 4.2Å; C581-I588 HydrophobicContact CB-CG1 4.09Å; I588-I597 HydrophobicContact CB-CG2 4.45Å; I588-I597 HydrophobicContact CG2-CG2 3.93Å; I588-I597 VanDerWaalsContact O-CG2 3.3Å; I588-I597 WeakPolarHBondContact O-CG2 3.3Å; I588-R599 HydrophobicContact CD1-CB 3.79Å; I588-R599 HydrophobicContact CG2-CB 4.01Å; I588-D606 HydrophobicContact CD1-CB 3.78Å | ||
| 589 | L | 83.1 | Confident | 81 | Confident | 72 Ų | 72 | 85.1 Ų | 85.1 | 38% | 0.377 | 47% | 0.468 | S | S | . | . | P | Polyproline II helix | trans | -81.2 | 152.3 | 176 | -59.9 | 179.1 | 0 | 0 | 0 | 110.9 | N574 K575 A578 P587 | N574-L589 HydrophobicContact CB-CD2 3.69Å; K575-L589 HydrophobicContact CG-CD1 4.17Å; K575-L589 HydrophobicContact CG-CD2 4.26Å; A578-L589 HydrophobicContact CB-CD2 4.48Å; P587-L589 HydrophobicContact CB-CD2 4.34Å; P587-L589 HydrophobicContact CB-CG 4.44Å; P587-L589 HydrophobicContact CG-CG 4.4Å; P587-L589 PolarHBondContact O-N 3.2Å |
| 590 | P | 77.8 | Confident | 81.1 | Confident | 39 Ų | 39 | 84.9 Ų | 84.9 | 25% | 0.253 | 47% | 0.465 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 141.9 | 167.5 | 27.1 | -30.2 | 0 | 0 | 0 | 110.4 | S594 I597 | P590-S594 WeakPolarHBondContact CB-O 3.44Å; P590-I597 HydrophobicContact CB-CG1 3.91Å; P590-I597 HydrophobicContact CG-CG1 4.13Å |
| 591 | T | 75.5 | Confident | 81.1 | Confident | 101 Ų | 101 | 82.6 Ų | 82.6 | 62% | 0.62 | 46% | 0.463 | S | S | * | . | P | Polyproline II helix | trans | -66.5 | 147.3 | 177.3 | -49.1 | 0 | 0 | 0 | 0 | 111 | G593 S594 | T591-G593 PolarHBondContact O-N 2.98Å; T591-S594 WeakPolarHBondContact CB-OG 3.43Å; T591-S594 PolarHBondContact N-OG 2.82Å; T591-S594 PolarHBondContact O-N 2.89Å; T591-S594 PolarHBondContact O-OG 3.06Å; T591-S594 VanDerWaalsContact O-OG 3.06Å |
| 592 | E | 65.8 | Low | 80.8 | Confident | 202 Ų | 202 | 83.3 Ų | 83.3 | 94% | 0.944 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61 | 98.2 | -178.8 | -61.4 | -170.3 | 166.4 | 0 | 0 | 111.7 | ||
| 593 | G | 65.1 | Low | 80.6 | Confident | 89 Ų | 89 | 85 Ų | 85 | 92% | 0.918 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 120.7 | -11.8 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | T591 | T591-G593 PolarHBondContact O-N 2.98Š|
| 594 | S | 70.3 | Confident | 80.5 | Confident | 46 Ų | 46 | 90 Ų | 90 | 32% | 0.322 | 49% | 0.489 | S | S | . | . | trans | -107.8 | 128.1 | 173 | 56.2 | 0 | 0 | 0 | 0 | 111.2 | P590 T591 E596 | P590-S594 WeakPolarHBondContact CB-O 3.44Å; T591-S594 WeakPolarHBondContact CB-OG 3.43Å; T591-S594 PolarHBondContact N-OG 2.82Å; T591-S594 PolarHBondContact O-N 2.89Å; T591-S594 PolarHBondContact O-OG 3.06Å; T591-S594 VanDerWaalsContact O-OG 3.06Å; S594-E596 VanDerWaalsContact C-N 3.29Å | ||
| 595 | E | 65.6 | Low | 80.5 | Confident | 197 Ų | 197 | 92 Ų | 92 | 92% | 0.921 | 49% | 0.492 | S | S | * | . | S | Bend | trans | -78.4 | -11.6 | 173.9 | 63 | -170.9 | 145.4 | 0 | 0 | 113.7 | ||
| 596 | E | 74.1 | Confident | 80.7 | Confident | 141 Ų | 141 | 88 Ų | 88 | 66% | 0.659 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -92.9 | 133.1 | 177.5 | -60.5 | -169.4 | 153.9 | 0 | 0 | 112.3 | S594 L598 | S594-E596 VanDerWaalsContact C-N 3.29Å; E596-L598 PolarHBondContact O-N 3.38Å |
| 597 | I | 78.1 | Confident | 80.9 | Confident | 61 Ų | 61 | 82.9 Ų | 82.9 | 31% | 0.313 | 45% | 0.446 | S | S | . | . | trans | -86.7 | 99.8 | 174.1 | -56.3 | 179.1 | 0 | 0 | 0 | 109.4 | I588 P590 R599 | I588-I597 HydrophobicContact CB-CG2 4.45Å; I588-I597 HydrophobicContact CG2-CG2 3.93Å; I588-I597 VanDerWaalsContact O-CG2 3.3Å; I588-I597 WeakPolarHBondContact O-CG2 3.3Å; P590-I597 HydrophobicContact CB-CG1 3.91Å; P590-I597 HydrophobicContact CG-CG1 4.13Å; I597-R599 PolarHBondContact O-N 3.12Å | ||
| 598 | L | 84.1 | Confident | 81 | Confident | 124 Ų | 124 | 83.4 Ų | 83.4 | 65% | 0.649 | 45% | 0.446 | S | S | * | . | trans | -74.5 | 111.9 | 176.2 | -61.8 | -179.6 | 0 | 0 | 0 | 111 | E596 | E596-L598 PolarHBondContact O-N 3.38Š| ||
| 599 | R | 87.8 | Confident | 81 | Confident | 118 Ų | 118 | 89.4 Ų | 89.4 | 45% | 0.445 | 47% | 0.472 | S | S | . | . | trans | -142 | 148.6 | 175.9 | 74 | -168.9 | -161.7 | -95.7 | 5.1 | 111.7 | I588 I597 V601 D606 | I588-R599 HydrophobicContact CD1-CB 3.79Å; I588-R599 HydrophobicContact CG2-CB 4.01Å; I597-R599 PolarHBondContact O-N 3.12Å; R599-V601 HydrophobicContact CG-CG2 4.38Å; R599-D606 WeakPolarHBondContact CD-OD1 3.45Å; R599-D606 IonicContact CZ-OD1 3.22Å; R599-D606 IonicContact NE-OD1 2.87Å; R599-D606 PolarHBondContact NE-OD1 3.32Å; R599-D606 IonicContact NH2-OD1 2.69Å | ||
| 600 | V | 88.4 | Confident | 81.2 | Confident | 37 Ų | 37 | 93.7 Ų | 93.7 | 22% | 0.224 | 49% | 0.49 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 128.8 | 172.6 | -172.6 | 0 | 0 | 0 | 0 | 108.6 | D606 Y607 F609 Y612 | V600-D606 CarbonylContact O-C 3.27Å; V600-D606 WeakPolarHBondContact O-CA 3.29Å; V600-Y607 PolarHBondContact N-O 2.97Å; V600-Y607 PolarHBondContact O-N 3.37Å; V600-F609 HydrophobicContact CG2-CD2 4.44Å; V600-Y612 HydrophobicContact CB-CD1 4.3Å; V600-Y612 HydrophobicContact CB-CD2 4.24Å; V600-Y612 HydrophobicContact CB-CG 4.07Å; V600-Y612 HydrophobicContact CG1-CD1 3.73Å; V600-Y612 HydrophobicContact CG1-CD2 3.9Å; V600-Y612 HydrophobicContact CG1-CE1 3.65Å; V600-Y612 HydrophobicContact CG1-CE2 3.84Å; V600-Y612 HydrophobicContact CG1-CG 3.85Å; V600-Y612 HydrophobicContact CG2-CD1 4.22Å; V600-Y612 HydrophobicContact CG2-CG 4.19Å |
| 601 | V | 88.7 | Confident | 81.7 | Confident | 89 Ų | 89 | 93 Ų | 93 | 54% | 0.539 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.3 | 120.8 | 176.4 | -172.3 | 0 | 0 | 0 | 0 | 108.6 | R599 K605 | R599-V601 HydrophobicContact CG-CG2 4.38Å; V601-K605 WeakPolarHBondContact CA-O 3.32Å |
| 602 | S | 84.4 | Confident | 82.4 | Confident | 15 Ų | 15 | 88.7 Ų | 88.7 | 11% | 0.105 | 46% | 0.459 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 139 | 179 | -168.1 | 0 | 0 | 0 | 0 | 110 | N604 K605 Y612 | S602-N604 PolarHBondContact O-N 3.41Å; S602-N604 VanDerWaalsContact O-N 3.16Å; S602-K605 PolarHBondContact N-O 2.95Å; S602-K605 WeakPolarHBondContact O-CA 3.49Å; S602-K605 WeakPolarHBondContact O-CB 3.07Å; S602-K605 PolarHBondContact O-N 2.85Å; S602-Y612 WeakPolarHBondContact CB-OH 3.49Å; S602-Y612 PolarHBondContact OG-OH 2.87Å |
| 603 | M | 84.1 | Confident | 83.6 | Confident | 73 Ų | 73 | 82.5 Ų | 82.5 | 36% | 0.36 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 37 | -177.1 | -51.1 | -162.6 | 76 | 0 | 0 | 115 | K605 P631 | M603-K605 PolarHBondContact O-N 3.16Å; M603-P631 HydrophobicContact CE-CB 3.72Å; M603-P631 HydrophobicContact CG-CB 3.65Å; M603-P631 HydrophobicContact SD-CB 3.33Å; M603-P631 WeakPolarHBondContact SD-CB 3.36Å |
| 604 | N | 83.9 | Confident | 84.8 | Confident | 166 Ų | 166 | 78.3 Ų | 78.3 | 89% | 0.888 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.6 | 23.3 | -173.7 | -53.3 | -27.2 | 0 | 0 | 0 | 114.6 | S602 | S602-N604 PolarHBondContact O-N 3.41Å; S602-N604 VanDerWaalsContact O-N 3.16Å |
| 605 | K | 88.6 | Confident | 85.6 | Confident | 90 Ų | 90 | 80.6 Ų | 80.6 | 39% | 0.391 | 39% | 0.392 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 142.6 | 173.5 | -66.5 | 164.1 | -178 | -79.9 | 0 | 109.4 | A582 V601 S602 M603 Y607 | A582-K605 HydrophobicContact CB-CB 3.84Å; A582-K605 HydrophobicContact CB-CD 4.03Å; A582-K605 HydrophobicContact CB-CG 4.07Å; V601-K605 WeakPolarHBondContact CA-O 3.32Å; S602-K605 PolarHBondContact N-O 2.95Å; S602-K605 WeakPolarHBondContact O-CA 3.49Å; S602-K605 WeakPolarHBondContact O-CB 3.07Å; S602-K605 PolarHBondContact O-N 2.85Å; M603-K605 PolarHBondContact O-N 3.16Å; K605-Y607 HydrophobicContact CB-CD2 4.44Å; K605-Y607 HydrophobicContact CB-CE2 3.57Å; K605-Y607 VanDerWaalsContact CD-OH 3.29Å; K605-Y607 WeakPolarHBondContact CD-OH 3.45Å |
| 606 | D | 90.4 | Very high | 86.5 | Confident | 35 Ų | 35 | 75.6 Ų | 75.6 | 19% | 0.187 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 146.9 | 172.4 | -58.6 | -84.4 | 0 | 0 | 0 | 111 | P579 C581 A582 I588 R599 V600 | P579-D606 HydrophobicContact CB-CB 4.08Å; P579-D606 WeakPolarHBondContact CB-OD2 3.33Å; C581-D606 CarbonylContact C-O 3.59Å; C581-D606 VanDerWaalsContact CA-O 3.3Å; C581-D606 WeakPolarHBondContact CA-O 3.39Å; A582-D606 PolarHBondContact N-O 3.23Å; I588-D606 HydrophobicContact CD1-CB 3.78Å; R599-D606 WeakPolarHBondContact CD-OD1 3.45Å; R599-D606 IonicContact CZ-OD1 3.22Å; R599-D606 IonicContact NE-OD1 2.87Å; R599-D606 PolarHBondContact NE-OD1 3.32Å; R599-D606 IonicContact NH2-OD1 2.69Å; V600-D606 CarbonylContact O-C 3.27Å; V600-D606 WeakPolarHBondContact O-CA 3.29Å |
| 607 | Y | 89.9 | Confident | 87.2 | Confident | 12 Ų | 12 | 72.1 Ų | 72.1 | 5% | 0.047 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 144 | 177.5 | -58.4 | -96.8 | 0 | 0 | 0 | 111.8 | A582 A583 V600 K605 Y612 L636 | A582-Y607 HydrophobicContact CB-CD1 4.45Å; A582-Y607 HydrophobicContact CB-CE1 3.87Å; A583-Y607 HydrophobicContact CB-CD1 4.13Å; A583-Y607 HydrophobicContact CB-CE1 4.29Å; V600-Y607 PolarHBondContact N-O 2.97Å; V600-Y607 PolarHBondContact O-N 3.37Å; K605-Y607 HydrophobicContact CB-CD2 4.44Å; K605-Y607 HydrophobicContact CB-CE2 3.57Å; K605-Y607 VanDerWaalsContact CD-OH 3.29Å; K605-Y607 WeakPolarHBondContact CD-OH 3.45Å; Y607-Y612 HydrophobicContact CD2-CD2 4.09Å; Y607-Y612 HydrophobicContact CD2-CE2 4.34Å; Y607-Y612 HydrophobicContact CG-CD2 4.07Å; Y607-L636 HydrophobicContact CD1-CD1 4.25Å; Y607-L636 HydrophobicContact CE1-CD1 3.73Å; Y607-L636 HydrophobicContact CE2-CD1 4.17Å |
| 608 | H | 89.8 | Confident | 87.5 | Confident | 43 Ų | 43 | 71.7 Ų | 71.7 | 20% | 0.199 | 37% | 0.37 | C | S | . | . | trans | -62.8 | 150 | 160.5 | -58.8 | 92.3 | 0 | 0 | 0 | 109.5 | C581 C584 P587 E610 C611 Y612 | C581-H608 VanDerWaalsContact CB-CE1 3.49Å; C581-H608 WeakPolarHBondContact CB-CE1 3.48Å; C581-H608 WeakPolarHBondContact CB-ND1 3.5Å; C584-H608 PolarHBondContact SG-CE1 3.49Å; C584-H608 PolarHBondContact SG-ND1 3.41Å; C584-H608 VanDerWaalsContact SG-ND1 3.36Å; P587-H608 PolarHBondContact O-NE2 3.25Å; H608-E610 VanDerWaalsContact C-N 3.27Å; H608-E610 PolarHBondContact O-N 3.12Å; H608-C611 HydrophobicContact CB-CB 4.1Å; H608-C611 PolarHBondContact O-N 3.43Å; H608-Y612 PolarHBondContact O-N 3.03Å | ||
| 609 | F | 86.5 | Confident | 87.7 | Confident | 127 Ų | 127 | 70.2 Ų | 70.2 | 56% | 0.557 | 36% | 0.358 | S | S | * | . | S | Bend | trans | -55.9 | -39.4 | 179.3 | -179.3 | -100.9 | 0 | 0 | 0 | 113.2 | V600 Y612 Q620 | V600-F609 HydrophobicContact CG2-CD2 4.44Å; F609-Y612 PolarHBondContact O-N 3.37Å; F609-Q620 VanDerWaalsContact CE1-NE2 3.32Å; F609-Q620 PolarHBondContact O-NE2 3.12Å |
| 610 | E | 86.4 | Confident | 87.8 | Confident | 162 Ų | 162 | 68.7 Ų | 68.7 | 76% | 0.757 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -33.6 | 176.8 | -67 | 159.2 | -159.4 | 0 | 0 | 112.7 | H608 Y612 | H608-E610 VanDerWaalsContact C-N 3.27Å; H608-E610 PolarHBondContact O-N 3.12Å; E610-Y612 PolarHBondContact O-N 3.11Å |
| 611 | C | 88.3 | Confident | 87.8 | Confident | 25 Ų | 25 | 67 Ų | 67 | 17% | 0.169 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79 | -3 | 178.1 | -68.8 | 0 | 0 | 0 | 0 | 113.3 | A583 H608 H613 | A583-C611 HydrophobicContact CB-CB 4.12Å; H608-C611 HydrophobicContact CB-CB 4.1Å; H608-C611 PolarHBondContact O-N 3.43Å; C611-H613 PolarHBondContact O-N 2.87Å; C611-H613 PolarHBondContact O-ND1 2.69Å |
| 612 | Y | 90.1 | Very high | 87.6 | Confident | 10 Ų | 10 | 64.3 Ų | 64.3 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | trans | -92.2 | 78.3 | -177.9 | -164.1 | -118.6 | 0 | 0 | 0 | 111.7 | V600 S602 Y607 H608 F609 E610 Q620 L621 C629 L636 | V600-Y612 HydrophobicContact CB-CD1 4.3Å; V600-Y612 HydrophobicContact CB-CD2 4.24Å; V600-Y612 HydrophobicContact CB-CG 4.07Å; V600-Y612 HydrophobicContact CG1-CD1 3.73Å; V600-Y612 HydrophobicContact CG1-CD2 3.9Å; V600-Y612 HydrophobicContact CG1-CE1 3.65Å; V600-Y612 HydrophobicContact CG1-CE2 3.84Å; V600-Y612 HydrophobicContact CG1-CG 3.85Å; V600-Y612 HydrophobicContact CG2-CD1 4.22Å; V600-Y612 HydrophobicContact CG2-CG 4.19Å; S602-Y612 WeakPolarHBondContact CB-OH 3.49Å; S602-Y612 PolarHBondContact OG-OH 2.87Å; Y607-Y612 HydrophobicContact CD2-CD2 4.09Å; Y607-Y612 HydrophobicContact CD2-CE2 4.34Å; Y607-Y612 HydrophobicContact CG-CD2 4.07Å; H608-Y612 PolarHBondContact O-N 3.03Å; F609-Y612 PolarHBondContact O-N 3.37Å; E610-Y612 PolarHBondContact O-N 3.11Å; Y612-Q620 WeakPolarHBondContact O-CG 3.34Å; Y612-L621 HydrophobicContact CD1-CB 3.63Å; Y612-L621 WeakPolarHBondContact CD1-O 3.48Å; Y612-L621 HydrophobicContact CE1-CB 3.5Å; Y612-L621 VanDerWaalsContact CE1-CB 3.5Å; Y612-L621 HydrophobicContact CG-CB 4.44Å; Y612-L621 PolarHBondContact O-N 3.4Å; Y612-C629 VanDerWaalsContact OH-CB 3.23Å; Y612-C629 WeakPolarHBondContact OH-CB 3.34Å; Y612-C629 PolarHBondContact OH-SG 3.09Å; Y612-L636 HydrophobicContact CD2-CD1 3.7Å; Y612-L636 HydrophobicContact CE2-CD1 3.66Å; Y612-L636 HydrophobicContact CE2-CD2 3.81Å; Y612-L636 HydrophobicContact CE2-CG 4.4Å | ||
| 613 | H | 90.3 | Very high | 87.5 | Confident | 73 Ų | 73 | 71 Ų | 71 | 34% | 0.338 | 37% | 0.365 | S | S | . | . | B | Isolated β-bridge | trans | -128.3 | 162.6 | -178.6 | 54.8 | -101 | 0 | 0 | 0 | 112.7 | C611 K619 | C611-H613 PolarHBondContact O-N 2.87Å; C611-H613 PolarHBondContact O-ND1 2.69Å; H613-K619 WeakPolarHBondContact CA-O 3.23Å |
| 614 | C | 90.6 | Very high | 87.5 | Confident | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 38% | 0.38 | C | S | . | . | trans | -69.3 | 126.5 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 110.4 | E616 C617 G618 K619 L621 L636 C638 C641 | C614-E616 VanDerWaalsContact C-N 3.26Å; C614-E616 PolarHBondContact O-N 3.42Å; C614-C617 PolarHBondContact SG-SG 2.96Å; C614-G618 WeakPolarHBondContact O-CA 3.35Å; C614-G618 PolarHBondContact O-N 3.26Å; C614-K619 HydrophobicContact CB-CB 4.43Å; C614-K619 PolarHBondContact N-O 3.24Å; C614-L621 HydrophobicContact CB-CD2 4.3Å; C614-L636 WeakPolarHBondContact CA-O 3.44Å; C614-C638 HydrophobicContact CB-CB 4.15Å; C614-C638 PolarHBondContact SG-N 3.27Å; C614-C641 VanDerWaalsContact SG-SG 3.67Å | ||
| 615 | E | 86.6 | Confident | 87 | Confident | 94 Ų | 94 | 72.5 Ų | 72.5 | 44% | 0.439 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | -24.8 | -176.1 | -71.1 | 170.1 | -137.7 | 0 | 0 | 113.9 | H635 L636 | E615-H635 VanDerWaalsContact OE1-CA 3.32Å; E615-H635 WeakPolarHBondContact OE1-CA 3.45Å; E615-H635 IonicContact OE2-CE1 3.82Å; E615-H635 IonicContact OE2-CG 3.64Å; E615-H635 IonicContact OE2-ND1 2.89Å; E615-H635 PolarHBondContact OE2-ND1 3.16Å; E615-L636 HydrophobicContact CG-CB 4.5Å; E615-L636 PolarHBondContact N-O 3.12Å; E615-L636 PolarHBondContact OE1-N 3.23Å |
| 616 | E | 85.8 | Confident | 86.3 | Confident | 92 Ų | 92 | 70.7 Ų | 70.7 | 43% | 0.43 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | -32.2 | -179 | -62.6 | -166 | 144 | 0 | 0 | 114.6 | C614 L637 C641 R645 | C614-E616 VanDerWaalsContact C-N 3.26Å; C614-E616 PolarHBondContact O-N 3.42Å; E616-L637 HydrophobicContact CG-CD2 3.97Å; E616-C641 HydrophobicContact CB-CB 4.38Å; E616-C641 WeakPolarHBondContact OE2-CB 3.36Å; E616-C641 PolarHBondContact OE2-SG 3.13Å; E616-C641 VanDerWaalsContact OE2-SG 3.38Å; E616-R645 VanDerWaalsContact CG-NH2 3.34Å; E616-R645 IonicContact OE1-CZ 2.7Å; E616-R645 VanDerWaalsContact OE1-CZ 3.22Å; E616-R645 IonicContact OE1-NE 3.76Å; E616-R645 PolarHBondContact OE1-NE 3.47Å; E616-R645 IonicContact OE1-NH2 3.69Å; E616-R645 PolarHBondContact OE1-NH2 3.21Å |
| 617 | C | 88.9 | Confident | 85.9 | Confident | 68 Ų | 68 | 70.3 Ų | 70.3 | 46% | 0.459 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.2 | 7.3 | -170.7 | 67.6 | 0 | 0 | 0 | 0 | 114.2 | C614 K619 C638 | C614-C617 PolarHBondContact SG-SG 2.96Å; C617-K619 PolarHBondContact O-N 3.42Å; C617-C638 VanDerWaalsContact SG-SG 3.67Å |
| 618 | G | 84.9 | Confident | 85.6 | Confident | 52 Ų | 52 | 74.1 Ų | 74.1 | 54% | 0.536 | 40% | 0.399 | S | S | . | . | trans | 63.7 | -1.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | C614 Q620 | C614-G618 WeakPolarHBondContact O-CA 3.35Å; C614-G618 PolarHBondContact O-N 3.26Å; G618-Q620 PolarHBondContact O-N 3.33Å | ||
| 619 | K | 87.6 | Confident | 85.4 | Confident | 93 Ų | 93 | 73.9 Ų | 73.9 | 40% | 0.404 | 40% | 0.402 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 119.6 | -176.4 | -173.1 | -178.2 | -177 | -176.5 | 0 | 110.3 | H613 C614 C617 L621 G626 S627 | H613-K619 WeakPolarHBondContact CA-O 3.23Å; C614-K619 HydrophobicContact CB-CB 4.43Å; C614-K619 PolarHBondContact N-O 3.24Å; C617-K619 PolarHBondContact O-N 3.42Å; K619-L621 PolarHBondContact O-N 2.89Å; K619-G626 PolarHBondContact NZ-O 3.5Å; K619-S627 VanDerWaalsContact CE-OG 3.26Å; K619-S627 WeakPolarHBondContact CE-OG 3.39Å; K619-S627 PolarHBondContact NZ-OG 3.24Å |
| 620 | Q | 89.8 | Confident | 85.4 | Confident | 87 Ų | 87 | 70.8 Ų | 70.8 | 41% | 0.407 | 39% | 0.388 | S | S | . | . | B | Isolated β-bridge | trans | -59.7 | 129.3 | 176 | -161.6 | 177.4 | 22.1 | 0 | 0 | 110.8 | F609 Y612 G618 | F609-Q620 VanDerWaalsContact CE1-NE2 3.32Å; F609-Q620 PolarHBondContact O-NE2 3.12Å; Y612-Q620 WeakPolarHBondContact O-CG 3.34Å; G618-Q620 PolarHBondContact O-N 3.33Å |
| 621 | L | 87.7 | Confident | 85.3 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 1% | 0.01 | 37% | 0.373 | C | S | . | . | P | Polyproline II helix | trans | -93.1 | 151.2 | -175.7 | -61.5 | 174 | 0 | 0 | 0 | 110.3 | Y612 C614 K619 S627 C629 L636 C638 | Y612-L621 HydrophobicContact CD1-CB 3.63Å; Y612-L621 WeakPolarHBondContact CD1-O 3.48Å; Y612-L621 HydrophobicContact CE1-CB 3.5Å; Y612-L621 VanDerWaalsContact CE1-CB 3.5Å; Y612-L621 HydrophobicContact CG-CB 4.44Å; Y612-L621 PolarHBondContact O-N 3.4Å; C614-L621 HydrophobicContact CB-CD2 4.3Å; K619-L621 PolarHBondContact O-N 2.89Å; L621-S627 CarbonylContact C-O 3.53Å; L621-S627 VanDerWaalsContact CA-O 3.25Å; L621-S627 WeakPolarHBondContact CA-O 3.12Å; L621-S627 WeakPolarHBondContact CD2-O 3.44Å; L621-C629 HydrophobicContact CD1-CB 3.96Å; L621-L636 HydrophobicContact CD1-CB 4.04Å; L621-C638 HydrophobicContact CD2-CB 3.79Å |
| 622 | S | 85.8 | Confident | 85.1 | Confident | 32 Ų | 32 | 66.8 Ų | 66.8 | 22% | 0.224 | 37% | 0.374 | C | S | . | . | trans | -167.6 | 167 | 175.8 | 56.6 | 0 | 0 | 0 | 0 | 111 | K624 S627 Q628 | S622-K624 PolarHBondContact O-N 2.89Å; S622-S627 PolarHBondContact N-O 3.26Å; S622-S627 CarbonylContact O-C 3.59Å; S622-S627 VanDerWaalsContact O-C 3.27Å; S622-S627 VanDerWaalsContact O-O 3.08Å; S622-Q628 WeakPolarHBondContact O-CA 3.45Å; S622-Q628 PolarHBondContact O-N 3.2Å | ||
| 623 | D | 82.2 | Confident | 84.7 | Confident | 155 Ų | 155 | 72.5 Ų | 72.5 | 83% | 0.829 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -65 | -2.6 | 177.3 | -55.7 | -42.1 | 0 | 0 | 0 | 114.5 | ||
| 624 | K | 83.2 | Confident | 84.3 | Confident | 153 Ų | 153 | 72.5 Ų | 72.5 | 67% | 0.665 | 41% | 0.413 | S | S | * | . | S | Bend | trans | -71.1 | 134.6 | 177.7 | -63.5 | 179.1 | -177.5 | 174.7 | 0 | 110.3 | S622 G626 S627 Q628 | S622-K624 PolarHBondContact O-N 2.89Å; K624-G626 PolarHBondContact O-N 2.98Å; K624-S627 PolarHBondContact O-N 3.12Å; K624-Q628 WeakPolarHBondContact O-CG 3.33Å; K624-Q628 PolarHBondContact O-N 3.38Å |
| 625 | P | 72.8 | Confident | 84 | Confident | 118 Ų | 118 | 75.6 Ų | 75.6 | 77% | 0.766 | 43% | 0.428 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | 133.3 | 177.8 | 24.6 | -34.1 | 0 | 0 | 0 | 110.6 | ||
| 626 | G | 74.9 | Confident | 84 | Confident | 52 Ų | 52 | 71.3 Ų | 71.3 | 54% | 0.536 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 87.9 | -10.6 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | K619 K624 | K619-G626 PolarHBondContact NZ-O 3.5Å; K624-G626 PolarHBondContact O-N 2.98Å |
| 627 | S | 81.3 | Confident | 84.2 | Confident | 26 Ų | 26 | 67 Ų | 67 | 18% | 0.182 | 39% | 0.387 | C | S | . | . | S | Bend | trans | -122.4 | 14.1 | 169.6 | -67.2 | 0 | 0 | 0 | 0 | 113.1 | K619 L621 S622 K624 | K619-S627 VanDerWaalsContact CE-OG 3.26Å; K619-S627 WeakPolarHBondContact CE-OG 3.39Å; K619-S627 PolarHBondContact NZ-OG 3.24Å; L621-S627 CarbonylContact C-O 3.53Å; L621-S627 VanDerWaalsContact CA-O 3.25Å; L621-S627 WeakPolarHBondContact CA-O 3.12Å; L621-S627 WeakPolarHBondContact CD2-O 3.44Å; S622-S627 PolarHBondContact N-O 3.26Å; S622-S627 CarbonylContact O-C 3.59Å; S622-S627 VanDerWaalsContact O-C 3.27Å; S622-S627 VanDerWaalsContact O-O 3.08Å; K624-S627 PolarHBondContact O-N 3.12Å |
| 628 | Q | 84.8 | Confident | 84.2 | Confident | 93 Ų | 93 | 64 Ų | 64 | 44% | 0.435 | 37% | 0.368 | S | S | . | . | trans | -63.6 | 144.7 | 178.3 | -61.8 | 174.4 | -80.5 | 0 | 0 | 111.7 | S622 K624 F630 | S622-Q628 WeakPolarHBondContact O-CA 3.45Å; S622-Q628 PolarHBondContact O-N 3.2Å; K624-Q628 WeakPolarHBondContact O-CG 3.33Å; K624-Q628 PolarHBondContact O-N 3.38Å; Q628-F630 HydrophobicContact CB-CE2 3.88Å; Q628-F630 HydrophobicContact CB-CZ 4.49Å; Q628-F630 WeakPolarHBondContact O-CD2 3.45Å | ||
| 629 | C | 85.2 | Confident | 84.4 | Confident | 37 Ų | 37 | 66 Ų | 66 | 25% | 0.25 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 138.7 | 172.9 | 55.4 | 0 | 0 | 0 | 0 | 111.5 | Y612 L621 L637 | Y612-C629 VanDerWaalsContact OH-CB 3.23Å; Y612-C629 WeakPolarHBondContact OH-CB 3.34Å; Y612-C629 PolarHBondContact OH-SG 3.09Å; L621-C629 HydrophobicContact CD1-CB 3.96Å; C629-L637 CarbonylContact C-O 3.47Å; C629-L637 WeakPolarHBondContact CA-O 3.45Å |
| 630 | F | 86.3 | Confident | 84.4 | Confident | 62 Ų | 62 | 65.5 Ų | 65.5 | 27% | 0.272 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 93.5 | 173.3 | -71.5 | -94.4 | 0 | 0 | 0 | 107.8 | Q628 L632 L637 H639 H642 | Q628-F630 HydrophobicContact CB-CE2 3.88Å; Q628-F630 HydrophobicContact CB-CZ 4.49Å; Q628-F630 WeakPolarHBondContact O-CD2 3.45Å; F630-L632 PolarHBondContact O-N 3.49Å; F630-L637 PolarHBondContact N-O 2.96Å; F630-L637 WeakPolarHBondContact O-CB 3.33Å; F630-H639 HydrophobicContact CD2-CB 3.94Å; F630-H639 HydrophobicContact CE2-CB 3.64Å; F630-H639 AromaticContact CE2-CD2 3.89Å; F630-H639 HydrophobicContact CZ-CB 4.32Å; F630-H639 AromaticContact CZ-CD2 3.67Å; F630-H642 HydrophobicContact CB-CB 3.65Å; F630-H642 HydrophobicContact CG-CB 4.35Å |
| 631 | P | 83.9 | Confident | 84.3 | Confident | 67 Ų | 67 | 62 Ų | 62 | 44% | 0.435 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 129 | -176 | 27.3 | -33.3 | 0 | 0 | 0 | 111.3 | M603 | M603-P631 HydrophobicContact CE-CB 3.72Å; M603-P631 HydrophobicContact CG-CB 3.65Å; M603-P631 HydrophobicContact SD-CB 3.33Å; M603-P631 WeakPolarHBondContact SD-CB 3.36Å |
| 632 | L | 85.1 | Confident | 84.3 | Confident | 37 Ų | 37 | 64 Ų | 64 | 19% | 0.194 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 125.3 | 177.9 | -177 | 66.7 | 0 | 0 | 0 | 109.1 | F630 S634 H635 L637 R645 V646 | F630-L632 PolarHBondContact O-N 3.49Å; L632-S634 PolarHBondContact O-N 2.87Å; L632-S634 VanDerWaalsContact O-N 3.12Å; L632-H635 PolarHBondContact N-O 3.28Å; L632-H635 WeakPolarHBondContact O-CB 3.47Å; L632-H635 PolarHBondContact O-N 3.36Å; L632-L637 HydrophobicContact CB-CD1 3.81Å; L632-L637 HydrophobicContact CD2-CD1 4.02Å; L632-R645 HydrophobicContact CD2-CB 3.87Å; L632-V646 HydrophobicContact CD2-CG2 3.94Å |
| 633 | D | 81 | Confident | 84.4 | Confident | 130 Ų | 130 | 66.5 Ų | 66.5 | 70% | 0.695 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 41.6 | 176.2 | -53.7 | -37 | 0 | 0 | 0 | 114.7 | H635 | D633-H635 VanDerWaalsContact C-N 3.29Å; D633-H635 PolarHBondContact O-CD2 2.86Å; D633-H635 VanDerWaalsContact O-CD2 3.25Å; D633-H635 PolarHBondContact O-N 2.87Å |
| 634 | S | 81.7 | Confident | 84.6 | Confident | 73 Ų | 73 | 63.1 Ų | 63.1 | 51% | 0.51 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 71.9 | 1.8 | -174.9 | 77.5 | 0 | 0 | 0 | 0 | 117.7 | L632 | L632-S634 PolarHBondContact O-N 2.87Å; L632-S634 VanDerWaalsContact O-N 3.12Å |
| 635 | H | 84.1 | Confident | 84.6 | Confident | 65 Ų | 65 | 59.2 Ų | 59.2 | 30% | 0.301 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 142.9 | 176.6 | -60.4 | -82.4 | 0 | 0 | 0 | 113.5 | E615 L632 D633 L637 R645 | E615-H635 VanDerWaalsContact OE1-CA 3.32Å; E615-H635 WeakPolarHBondContact OE1-CA 3.45Å; E615-H635 IonicContact OE2-CE1 3.82Å; E615-H635 IonicContact OE2-CG 3.64Å; E615-H635 IonicContact OE2-ND1 2.89Å; E615-H635 PolarHBondContact OE2-ND1 3.16Å; L632-H635 PolarHBondContact N-O 3.28Å; L632-H635 WeakPolarHBondContact O-CB 3.47Å; L632-H635 PolarHBondContact O-N 3.36Å; D633-H635 VanDerWaalsContact C-N 3.29Å; D633-H635 PolarHBondContact O-CD2 2.86Å; D633-H635 VanDerWaalsContact O-CD2 3.25Å; D633-H635 PolarHBondContact O-N 2.87Å; H635-L637 HydrophobicContact CB-CD2 4.28Å; H635-L637 HydrophobicContact CB-CG 4.35Å; H635-R645 PolarHBondContact CD2-NH1 3.4Å |
| 636 | L | 88.2 | Confident | 85.2 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 108.1 | 169.6 | -65.6 | -178.4 | 0 | 0 | 0 | 110.8 | Y607 Y612 C614 E615 L621 | Y607-L636 HydrophobicContact CD1-CD1 4.25Å; Y607-L636 HydrophobicContact CE1-CD1 3.73Å; Y607-L636 HydrophobicContact CE2-CD1 4.17Å; Y612-L636 HydrophobicContact CD2-CD1 3.7Å; Y612-L636 HydrophobicContact CE2-CD1 3.66Å; Y612-L636 HydrophobicContact CE2-CD2 3.81Å; Y612-L636 HydrophobicContact CE2-CG 4.4Å; C614-L636 WeakPolarHBondContact CA-O 3.44Å; E615-L636 HydrophobicContact CG-CB 4.5Å; E615-L636 PolarHBondContact N-O 3.12Å; E615-L636 PolarHBondContact OE1-N 3.23Å; L621-L636 HydrophobicContact CD1-CB 4.04Å |
| 637 | L | 88.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 57.9 Ų | 57.9 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 151.8 | 177.8 | -51.2 | 174.1 | 0 | 0 | 0 | 111.8 | E616 C629 F630 L632 H635 C641 H642 R645 | E616-L637 HydrophobicContact CG-CD2 3.97Å; C629-L637 CarbonylContact C-O 3.47Å; C629-L637 WeakPolarHBondContact CA-O 3.45Å; F630-L637 PolarHBondContact N-O 2.96Å; F630-L637 WeakPolarHBondContact O-CB 3.33Å; L632-L637 HydrophobicContact CB-CD1 3.81Å; L632-L637 HydrophobicContact CD2-CD1 4.02Å; H635-L637 HydrophobicContact CB-CD2 4.28Å; H635-L637 HydrophobicContact CB-CG 4.35Å; L637-C641 HydrophobicContact CB-CB 4.16Å; L637-C641 HydrophobicContact CD2-CB 4.32Å; L637-H642 HydrophobicContact CB-CB 4.16Å; L637-H642 HydrophobicContact CD1-CB 4.33Å; L637-R645 HydrophobicContact CD1-CG 4.33Å |
| 638 | C | 90.5 | Very high | 84.7 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 5% | 0.047 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.2 | 165.1 | 162.6 | 78.3 | 0 | 0 | 0 | 0 | 110.3 | C614 C617 L621 S640 C641 H642 | C614-C638 HydrophobicContact CB-CB 4.15Å; C614-C638 PolarHBondContact SG-N 3.27Å; C617-C638 VanDerWaalsContact SG-SG 3.67Å; L621-C638 HydrophobicContact CD2-CB 3.79Å; C638-S640 VanDerWaalsContact C-N 3.27Å; C638-S640 PolarHBondContact O-N 3.32Å; C638-S640 VanDerWaalsContact O-N 3.15Å; C638-C641 PolarHBondContact O-N 3.3Å; C638-C641 VanDerWaalsContact O-N 3.14Å; C638-C641 VanDerWaalsContact SG-SG 3.67Å; C638-H642 WeakPolarHBondContact O-CB 3.49Å; C638-H642 PolarHBondContact O-N 3.18Å |
| 639 | H | 87.4 | Confident | 83.4 | Confident | 94 Ų | 94 | 59.7 Ų | 59.7 | 44% | 0.435 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -48.8 | -43.9 | -178.7 | -176.9 | -93.3 | 0 | 0 | 0 | 114.1 | F630 M643 | F630-H639 HydrophobicContact CD2-CB 3.94Å; F630-H639 HydrophobicContact CE2-CB 3.64Å; F630-H639 AromaticContact CE2-CD2 3.89Å; F630-H639 HydrophobicContact CZ-CB 4.32Å; F630-H639 AromaticContact CZ-CD2 3.67Å; H639-M643 WeakPolarHBondContact O-CB 3.26Å; H639-M643 PolarHBondContact O-N 3.4Å |
| 640 | S | 87.5 | Confident | 81.9 | Confident | 82 Ų | 82 | 65.4 Ų | 65.4 | 57% | 0.573 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -65.7 | -49.7 | -180 | -51.4 | 0 | 0 | 0 | 0 | 112 | C638 M643 S644 | C638-S640 VanDerWaalsContact C-N 3.27Å; C638-S640 PolarHBondContact O-N 3.32Å; C638-S640 VanDerWaalsContact O-N 3.15Å; S640-M643 PolarHBondContact O-N 2.93Å; S640-S644 PolarHBondContact O-N 3.34Å; S640-S644 PolarHBondContact O-OG 2.91Å |
| 641 | C | 88.8 | Confident | 80 | Confident | 13 Ų | 13 | 67 Ų | 67 | 9% | 0.088 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -61.9 | -42.9 | 178.4 | -72.8 | 0 | 0 | 0 | 0 | 112.5 | C614 E616 L637 C638 M643 S644 R645 | C614-C641 VanDerWaalsContact SG-SG 3.67Å; E616-C641 HydrophobicContact CB-CB 4.38Å; E616-C641 WeakPolarHBondContact OE2-CB 3.36Å; E616-C641 PolarHBondContact OE2-SG 3.13Å; E616-C641 VanDerWaalsContact OE2-SG 3.38Å; L637-C641 HydrophobicContact CB-CB 4.16Å; L637-C641 HydrophobicContact CD2-CB 4.32Å; C638-C641 PolarHBondContact O-N 3.3Å; C638-C641 VanDerWaalsContact O-N 3.14Å; C638-C641 VanDerWaalsContact SG-SG 3.67Å; C641-M643 PolarHBondContact O-N 3.46Å; C641-S644 PolarHBondContact O-N 3.5Å; C641-R645 PolarHBondContact O-N 3.4Å |
| 642 | H | 88.1 | Confident | 78.4 | Confident | 44 Ų | 44 | 69.7 Ų | 69.7 | 20% | 0.204 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -57 | -48.1 | 172.3 | 173 | -84.3 | 0 | 0 | 0 | 111.6 | F630 L637 C638 S644 R645 V646 | F630-H642 HydrophobicContact CB-CB 3.65Å; F630-H642 HydrophobicContact CG-CB 4.35Å; L637-H642 HydrophobicContact CB-CB 4.16Å; L637-H642 HydrophobicContact CD1-CB 4.33Å; C638-H642 WeakPolarHBondContact O-CB 3.49Å; C638-H642 PolarHBondContact O-N 3.18Å; H642-S644 PolarHBondContact O-N 2.9Å; H642-R645 PolarHBondContact O-N 3.48Å; H642-V646 WeakPolarHBondContact O-CB 3.25Å; H642-V646 WeakPolarHBondContact O-CG2 3.34Å; H642-V646 PolarHBondContact O-N 3.04Å |
| 643 | M | 87.3 | Confident | 76.6 | Confident | 84 Ų | 84 | 72.9 Ų | 72.9 | 41% | 0.414 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 177.6 | -150.9 | 69.7 | 69.5 | 0 | 0 | 111.8 | H639 S640 C641 V646 C647 | H639-M643 WeakPolarHBondContact O-CB 3.26Å; H639-M643 PolarHBondContact O-N 3.4Å; S640-M643 PolarHBondContact O-N 2.93Å; C641-M643 PolarHBondContact O-N 3.46Å; M643-V646 PolarHBondContact O-N 2.89Å; M643-C647 WeakPolarHBondContact O-CB 3.48Å; M643-C647 PolarHBondContact O-N 3.25Å; M643-C647 PolarHBondContact O-SG 2.98Å; M643-C647 VanDerWaalsContact O-SG 3.4Å |
| 644 | S | 85.9 | Confident | 75 | Confident | 84 Ų | 84 | 72.7 Ų | 72.7 | 59% | 0.587 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -60.6 | -43 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 112.8 | S640 C641 H642 G648 | S640-S644 PolarHBondContact O-N 3.34Å; S640-S644 PolarHBondContact O-OG 2.91Å; C641-S644 PolarHBondContact O-N 3.5Å; H642-S644 PolarHBondContact O-N 2.9Å; S644-G648 WeakPolarHBondContact O-CA 3.48Å; S644-G648 PolarHBondContact O-N 3.15Å |
| 645 | R | 84.4 | Confident | 73.4 | Confident | 71 Ų | 71 | 77.4 Ų | 77.4 | 27% | 0.268 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.2 | -49.6 | 174.9 | -72.2 | -160.5 | -176.2 | 178.5 | -0.3 | 112.5 | E616 L632 H635 L637 C641 H642 C647 G648 T649 | E616-R645 VanDerWaalsContact CG-NH2 3.34Å; E616-R645 IonicContact OE1-CZ 2.7Å; E616-R645 VanDerWaalsContact OE1-CZ 3.22Å; E616-R645 IonicContact OE1-NE 3.76Å; E616-R645 PolarHBondContact OE1-NE 3.47Å; E616-R645 IonicContact OE1-NH2 3.69Å; E616-R645 PolarHBondContact OE1-NH2 3.21Å; L632-R645 HydrophobicContact CD2-CB 3.87Å; H635-R645 PolarHBondContact CD2-NH1 3.4Å; L637-R645 HydrophobicContact CD1-CG 4.33Å; C641-R645 PolarHBondContact O-N 3.4Å; H642-R645 PolarHBondContact O-N 3.48Å; R645-C647 VanDerWaalsContact C-N 3.32Å; R645-C647 PolarHBondContact O-N 3.14Å; R645-G648 PolarHBondContact O-N 2.82Å; R645-T649 PolarHBondContact O-N 2.96Å; R645-T649 VanDerWaalsContact O-N 3.13Å; R645-T649 PolarHBondContact O-OG1 2.88Å |
| 646 | V | 84.7 | Confident | 71.8 | Confident | 59 Ų | 59 | 81.4 Ų | 81.4 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -66.1 | -33.1 | -176.1 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | L632 H642 M643 T649 | L632-V646 HydrophobicContact CD2-CG2 3.94Å; H642-V646 WeakPolarHBondContact O-CB 3.25Å; H642-V646 WeakPolarHBondContact O-CG2 3.34Å; H642-V646 PolarHBondContact O-N 3.04Å; M643-V646 PolarHBondContact O-N 2.89Å; V646-T649 PolarHBondContact O-OG1 2.79Å |
| 647 | C | 79.9 | Confident | 69.8 | Low | 83 Ų | 83 | 87.3 Ų | 87.3 | 56% | 0.561 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -81.1 | -32.3 | 172.1 | -65.1 | 0 | 0 | 0 | 0 | 112.8 | M643 R645 T649 H650 | M643-C647 WeakPolarHBondContact O-CB 3.48Å; M643-C647 PolarHBondContact O-N 3.25Å; M643-C647 PolarHBondContact O-SG 2.98Å; M643-C647 VanDerWaalsContact O-SG 3.4Å; R645-C647 VanDerWaalsContact C-N 3.32Å; R645-C647 PolarHBondContact O-N 3.14Å; C647-T649 PolarHBondContact O-N 3.37Å; C647-H650 PolarHBondContact O-N 3.2Å |
| 648 | G | 65 | Low | 67.8 | Low | 42 Ų | 42 | 98.9 Ų | 98.9 | 43% | 0.433 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -68.6 | -29.9 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | S644 R645 H650 S651 | S644-G648 WeakPolarHBondContact O-CA 3.48Å; S644-G648 PolarHBondContact O-N 3.15Å; R645-G648 PolarHBondContact O-N 2.82Å; G648-H650 PolarHBondContact O-N 3.48Å; G648-S651 PolarHBondContact O-OG 2.73Å; G648-S651 VanDerWaalsContact O-OG 3.12Å |
| 649 | T | 57.4 | Low | 66.7 | Low | 116 Ų | 116 | 103.5 Ų | 103.5 | 71% | 0.712 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -11.6 | 175.6 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | R645 V646 C647 | R645-T649 PolarHBondContact O-N 2.96Å; R645-T649 VanDerWaalsContact O-N 3.13Å; R645-T649 PolarHBondContact O-OG1 2.88Å; V646-T649 PolarHBondContact O-OG1 2.79Å; C647-T649 PolarHBondContact O-N 3.37Å |
| 650 | H | 53.6 | Low | 65.6 | Low | 156 Ų | 156 | 104 Ų | 104 | 72% | 0.722 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91 | -7.3 | 178.7 | -93 | -79.9 | 0 | 0 | 0 | 114.6 | C647 G648 V652 | C647-H650 PolarHBondContact O-N 3.2Å; G648-H650 PolarHBondContact O-N 3.48Å; H650-V652 VanDerWaalsContact C-N 3.28Å; H650-V652 PolarHBondContact O-N 2.88Å |
| 651 | S | 48.3 | Very low | 64.4 | Low | 97 Ų | 97 | 105.2 Ų | 105.2 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | trans | -79.6 | 75.7 | 173.6 | 62.8 | 0 | 0 | 0 | 0 | 111.6 | G648 | G648-S651 PolarHBondContact O-OG 2.73Å; G648-S651 VanDerWaalsContact O-OG 3.12Å | ||
| 652 | V | 48.7 | Very low | 63 | Low | 122 Ų | 122 | 110.6 Ų | 110.6 | 74% | 0.739 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 133 | 164.5 | -179.4 | 0 | 0 | 0 | 0 | 108.3 | H650 | H650-V652 VanDerWaalsContact C-N 3.28Å; H650-V652 PolarHBondContact O-N 2.88Å |
| 653 | P | 48.2 | Very low | 61.4 | Low | 105 Ų | 105 | 114.8 Ų | 114.8 | 68% | 0.682 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -61.3 | 143.7 | 179.3 | 25.6 | -34.7 | 0 | 0 | 0 | 110.6 | H655 | P653-H655 PolarHBondContact O-N 3.43Å; P653-H655 VanDerWaalsContact O-N 3.12Å |
| 654 | P | 46.6 | Very low | 59.7 | Low | 126 Ų | 126 | 116.9 Ų | 116.9 | 82% | 0.818 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 120.6 | 177.9 | 25.6 | -33.5 | 0 | 0 | 0 | 109.3 | N656 | P654-N656 PolarHBondContact O-N 3Å; P654-N656 VanDerWaalsContact O-N 3.09Å |
| 655 | H | 47.6 | Very low | 57.8 | Low | 172 Ų | 172 | 119.2 Ų | 119.2 | 80% | 0.796 | 68% | 0.677 | S | S | * | * | trans | -67.5 | 112.7 | -178.3 | -158.5 | -68.1 | 0 | 0 | 0 | 108.8 | P653 T657 | P653-H655 PolarHBondContact O-N 3.43Å; P653-H655 VanDerWaalsContact O-N 3.12Å; H655-T657 PolarHBondContact O-N 3.34Å | ||
| 656 | N | 50.7 | Low | 55.8 | Low | 148 Ų | 148 | 122.9 Ų | 122.9 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | trans | -71.9 | 99.3 | -174.2 | -149 | 18.8 | 0 | 0 | 0 | 109 | P654 | P654-N656 PolarHBondContact O-N 3Å; P654-N656 VanDerWaalsContact O-N 3.09Å | ||
| 657 | T | 46.1 | Very low | 53.4 | Low | 129 Ų | 129 | 128.3 Ų | 128.3 | 79% | 0.791 | 74% | 0.737 | S | S | * | * | trans | -92.7 | 110.4 | 173 | 52.1 | 0 | 0 | 0 | 0 | 108.9 | H655 | H655-T657 PolarHBondContact O-N 3.34Š| ||
| 658 | H | 48.3 | Very low | 50.9 | Low | 243 Ų | 243 | 132.4 Ų | 132.4 | 100% | 1.125 | 75% | 0.754 | S | S | * | * | trans | -117.4 | 0 | 179.3 | -167.1 | -32.5 | 0 | 0 | 0 | 109.4 |
Retrieved 658 of 658 residues in 281.3 ms
(Link to these results)