| 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 | 34.8 | Very low | 34.7 | Very low | 208 Ų | 208 | 150 Ų | 150 | 100% | 1.025 | 82% | 0.818 | S | S | * | * | 0 | 101 | 0 | -58.8 | 82.1 | -176.7 | 0 | 0 | 109.2 | |||||
| 2 | E | 39.3 | Very low | 34.8 | Very low | 160 Ų | 160 | 149.6 Ų | 149.6 | 75% | 0.748 | 82% | 0.815 | S | S | * | * | cis | 59.1 | 145.1 | 21.1 | -34 | 156.6 | 97.4 | 0 | 0 | 112.4 | ||||
| 3 | Q | 39.5 | Very low | 35.4 | Very low | 163 Ų | 163 | 148 Ų | 148 | 76% | 0.762 | 82% | 0.817 | S | S | * | * | cis | -142.7 | 166.9 | 8.8 | -73 | -175.6 | -5.1 | 0 | 0 | 108.9 | ||||
| 4 | L | 38.3 | Very low | 35 | Very low | 139 Ų | 139 | 140.6 Ų | 140.6 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | cis | -171.5 | -178.9 | -21.9 | -99.6 | 172.3 | 0 | 0 | 0 | 106.7 | ||||
| 5 | T | 29.3 | Very low | 34.8 | Very low | 128 Ų | 128 | 137.4 Ų | 137.4 | 79% | 0.785 | 79% | 0.789 | S | S | * | * | trans | 74.7 | 150.6 | 148.1 | -63.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 6 | T | 29.7 | Very low | 34.5 | Very low | 117 Ų | 117 | 140.1 Ų | 140.1 | 72% | 0.718 | 80% | 0.795 | S | S | * | * | cis | -169 | 146.7 | -31.9 | -81.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 7 | L | 38.6 | Very low | 34.6 | Very low | 161 Ų | 161 | 139.8 Ų | 139.8 | 84% | 0.843 | 79% | 0.786 | S | S | * | * | trans | -76.5 | 156.6 | 173.4 | -76.1 | 168.4 | 0 | 0 | 0 | 113.2 | ||||
| 8 | P | 31.1 | Very low | 35.1 | Very low | 123 Ų | 123 | 138.6 Ų | 138.6 | 80% | 0.799 | 79% | 0.785 | S | S | * | * | trans | -125 | 129.5 | 141.2 | 34.9 | -26.7 | 0 | 0 | 0 | 114.1 | ||||
| 9 | R | 31.2 | Very low | 35 | Very low | 239 Ų | 239 | 143.5 Ų | 143.5 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -106.7 | 174.7 | 151.3 | -105.4 | -175 | 171.7 | -176.1 | -1.9 | 106.6 | ||||
| 10 | P | 44.3 | Very low | 34.7 | Very low | 129 Ų | 129 | 141.3 Ų | 141.3 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | cis | -123.5 | -165.9 | -41.8 | 37.8 | -21.9 | 0 | 0 | 0 | 109.7 | ||||
| 11 | G | 26.1 | Very low | 34.6 | Very low | 83 Ų | 83 | 142.5 Ų | 142.5 | 86% | 0.856 | 80% | 0.795 | S | S | * | * | trans | -177.3 | 105.3 | 169.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 12 | D | 36 | Very low | 34.9 | Very low | 145 Ų | 145 | 137.7 Ų | 137.7 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -137.1 | 141.7 | 172.3 | -173.6 | 29.6 | 0 | 0 | 0 | 107.3 | G14 | D12-G14 PolarHBondContact OD1-N 2.63Š| ||
| 13 | P | 42.6 | Very low | 34.4 | Very low | 129 Ų | 129 | 136.6 Ų | 136.6 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | -146.5 | 148.9 | 96.1 | 36.8 | -20 | 0 | 0 | 0 | 115.2 | |||||
| 14 | G | 29.2 | Very low | 34 | Very low | 45 Ų | 45 | 140.3 Ų | 140.3 | 46% | 0.464 | 79% | 0.791 | S | S | . | * | trans | -155.7 | 12.4 | -173.6 | 0 | 0 | 0 | 0 | 0 | 122.4 | D12 | D12-G14 PolarHBondContact OD1-N 2.63Š| ||
| 15 | A | 32.3 | Very low | 33.7 | Very low | 92 Ų | 92 | 142.8 Ų | 142.8 | 76% | 0.76 | 80% | 0.799 | S | S | * | * | trans | 70.1 | 111 | -174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 16 | M | 29.9 | Very low | 33.6 | Very low | 180 Ų | 180 | 141.4 Ų | 141.4 | 89% | 0.887 | 79% | 0.794 | S | S | * | * | 78.8 | 106.8 | 74.8 | -76 | 172.5 | 63.8 | 0 | 0 | 114.5 | |||||
| 17 | E | 36.6 | Very low | 33.5 | Very low | 135 Ų | 135 | 148 Ų | 148 | 63% | 0.631 | 81% | 0.806 | S | S | * | * | 41 | 149.4 | 127.6 | -77.1 | -67.5 | 91.2 | 0 | 0 | 121.7 | W19 | E17-W19 PolarHBondContact OE2-N 2.73Š| |||
| 18 | P | 43.4 | Very low | 33.3 | Very low | 119 Ų | 119 | 146.1 Ų | 146.1 | 77% | 0.773 | 80% | 0.801 | S | S | * | * | cis | -131.1 | 166.9 | 26.8 | 41 | -25.2 | 0 | 0 | 0 | 118.4 | ||||
| 19 | W | 32.1 | Very low | 33.5 | Very low | 232 Ų | 232 | 146.5 Ų | 146.5 | 88% | 0.879 | 80% | 0.804 | S | S | * | * | trans | -67.8 | 142.9 | 163 | -65.7 | -27.3 | 0 | 0 | 0 | 113.9 | E17 | E17-W19 PolarHBondContact OE2-N 2.73Š| ||
| 20 | A | 29.2 | Very low | 33.4 | Very low | 99 Ų | 99 | 138.9 Ų | 138.9 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -160.7 | 133.5 | 153 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 21 | L | 32.4 | Very low | 32.8 | Very low | 167 Ų | 167 | 145 Ų | 145 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -97.3 | 175.8 | 152.8 | -70.2 | 171.8 | 0 | 0 | 0 | 108.1 | ||||
| 22 | P | 42.1 | Very low | 33 | Very low | 106 Ų | 106 | 144.8 Ų | 144.8 | 69% | 0.688 | 80% | 0.804 | S | S | * | * | cis | -124.6 | -177.9 | -13.3 | 39.2 | -25.5 | 0 | 0 | 0 | 112.2 | ||||
| 23 | T | 28.2 | Very low | 32.6 | Very low | 137 Ų | 137 | 141.9 Ų | 141.9 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -157.4 | 140.3 | 143.9 | -13.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 24 | W | 31 | Very low | 32.2 | Very low | 242 Ų | 242 | 143.9 Ų | 143.9 | 92% | 0.917 | 81% | 0.807 | S | S | * | * | trans | -81.3 | 143.5 | 171.6 | -74.7 | 27.4 | 0 | 0 | 0 | 110.4 | S26 | W24-S26 PolarHBondContact O-N 3.22Š| ||
| 25 | H | 31.5 | Very low | 33.1 | Very low | 191 Ų | 191 | 147 Ų | 147 | 88% | 0.884 | 82% | 0.818 | S | S | * | * | trans | -86.2 | 98.1 | 170.3 | -80.8 | -59.9 | 0 | 0 | 0 | 111.3 | ||||
| 26 | S | 27.5 | Very low | 32.8 | Very low | 99 Ų | 99 | 147.8 Ų | 147.8 | 69% | 0.692 | 82% | 0.819 | S | S | * | * | trans | -70.9 | 139.9 | 156.9 | 59.9 | 0 | 0 | 0 | 0 | 110.2 | W24 | W24-S26 PolarHBondContact O-N 3.22Š| ||
| 27 | W | 27.7 | Very low | 32.9 | Very low | 255 Ų | 255 | 144.9 Ų | 144.9 | 97% | 0.966 | 82% | 0.816 | S | S | * | * | trans | -113.9 | 114.5 | 166.4 | -107.2 | 12.5 | 0 | 0 | 0 | 110 | ||||
| 28 | T | 33.8 | Very low | 32.5 | Very low | 122 Ų | 122 | 143.5 Ų | 143.5 | 75% | 0.748 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 147.2 | 175.8 | 45.7 | 0 | 0 | 0 | 0 | 110.8 | ||
| 29 | P | 35.6 | Very low | 31.8 | Very low | 131 Ų | 131 | 142.3 Ų | 142.3 | 85% | 0.851 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 145.3 | 175.8 | -22.7 | 34.3 | 0 | 0 | 0 | 113.3 | ||
| 30 | G | 29.3 | Very low | 32.3 | Very low | 79 Ų | 79 | 137.7 Ų | 137.7 | 81% | 0.814 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79 | 144.1 | -178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 31 | R | 32.9 | Very low | 32.2 | Very low | 256 Ų | 256 | 138.2 Ų | 138.2 | 97% | 0.966 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 160.5 | 164 | -73.6 | 167.1 | 154.5 | -118.4 | -2.1 | 111.9 | ||
| 32 | G | 30 | Very low | 32 | Very low | 80 Ų | 80 | 138 Ų | 138 | 83% | 0.825 | 82% | 0.823 | S | S | * | * | cis | 142.7 | 166.5 | 3.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 33 | G | 26.4 | Very low | 31.3 | Very low | 84 Ų | 84 | 137 Ų | 137 | 87% | 0.866 | 83% | 0.825 | S | S | * | * | trans | -175.3 | 58.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 34 | E | 35.4 | Very low | 31.2 | Very low | 171 Ų | 171 | 137.4 Ų | 137.4 | 80% | 0.799 | 82% | 0.821 | S | S | * | * | trans | -81.4 | 171.6 | 162.7 | -114.6 | -145.6 | 101.4 | 0 | 0 | 110.6 | S36 | E34-S36 PolarHBondContact OE1-N 2.79Š| ||
| 35 | P | 47.7 | Very low | 31.2 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 71% | 0.708 | 81% | 0.814 | S | S | * | * | cis | -148 | 173.9 | 35.7 | 44.1 | -24.8 | 0 | 0 | 0 | 118.8 | ||||
| 36 | S | 26.8 | Very low | 32.4 | Very low | 109 Ų | 109 | 128 Ų | 128 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | 168 | 147.4 | 113.8 | 51.3 | 0 | 0 | 0 | 0 | 113.4 | E34 | E34-S36 PolarHBondContact OE1-N 2.79Š| |||
| 37 | S | 31.3 | Very low | 33 | Very low | 120 Ų | 120 | 129.3 Ų | 129.3 | 84% | 0.839 | 81% | 0.812 | S | S | * | * | trans | -113.1 | 142.5 | -172.6 | 62 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 38 | A | 27.9 | Very low | 33.1 | Very low | 106 Ų | 106 | 121.8 Ų | 121.8 | 88% | 0.876 | 81% | 0.805 | S | S | * | * | trans | -154.1 | 134.5 | 153 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 39 | A | 29.8 | Very low | 32.9 | Very low | 93 Ų | 93 | 120 Ų | 120 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -106.5 | 161.3 | 158.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 40 | P | 41.7 | Very low | 32.6 | Very low | 136 Ų | 136 | 120.8 Ų | 120.8 | 88% | 0.883 | 80% | 0.798 | S | S | * | * | -149.6 | -164.8 | 85.3 | 40.1 | -20.6 | 0 | 0 | 0 | 115.1 | |||||
| 41 | S | 27.6 | Very low | 32.6 | Very low | 109 Ų | 109 | 124.1 Ų | 124.1 | 76% | 0.762 | 79% | 0.793 | S | S | * | * | trans | -105.1 | -176.4 | -165.2 | -177.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 42 | I | 28.8 | Very low | 32.4 | Very low | 162 Ų | 162 | 118.3 Ų | 118.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | trans | 102.4 | 143.7 | 156.5 | -55.3 | 175.8 | 0 | 0 | 0 | 118.3 | ||||
| 43 | A | 26.7 | Very low | 32.2 | Very low | 87 Ų | 87 | 121.1 Ų | 121.1 | 72% | 0.719 | 77% | 0.772 | S | S | * | * | trans | 98.9 | 83.9 | 158.9 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 44 | D | 26.9 | Very low | 32.3 | Very low | 144 Ų | 144 | 124 Ų | 124 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | 45.3 | 141.6 | 105.2 | -129.4 | -50 | 0 | 0 | 0 | 125 | |||||
| 45 | T | 29.4 | Very low | 32 | Very low | 123 Ų | 123 | 121.9 Ų | 121.9 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | 58.4 | 149.1 | 155.2 | 19.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 46 | P | 57.1 | Low | 31 | Very low | 112 Ų | 112 | 125.7 Ų | 125.7 | 73% | 0.727 | 76% | 0.757 | S | S | * | * | trans | -114.6 | -174.1 | -172.4 | 44.6 | -34.2 | 0 | 0 | 0 | 114.3 | ||||
| 47 | P | 41.3 | Very low | 31.1 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 83% | 0.825 | 76% | 0.76 | S | S | * | * | trans | -134.1 | 160.5 | 143 | 39 | -27.7 | 0 | 0 | 0 | 115.1 | ||||
| 48 | A | 27.9 | Very low | 30.9 | Very low | 98 Ų | 98 | 127.7 Ų | 127.7 | 81% | 0.81 | 75% | 0.754 | S | S | * | * | trans | -89.9 | -170.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 49 | A | 31.4 | Very low | 31 | Very low | 83 Ų | 83 | 130.4 Ų | 130.4 | 69% | 0.686 | 75% | 0.748 | S | S | * | * | cis | -162.8 | -156.1 | 14.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 50 | L | 27.9 | Very low | 30.9 | Very low | 148 Ų | 148 | 130 Ų | 130 | 78% | 0.775 | 74% | 0.74 | S | S | * | * | trans | 87.8 | 137.1 | 162.6 | -54.2 | -177.4 | 0 | 0 | 0 | 117.2 | ||||
| 51 | Q | 30.5 | Very low | 30.3 | Very low | 150 Ų | 150 | 128.9 Ų | 128.9 | 70% | 0.701 | 74% | 0.735 | S | S | * | * | cis | -169.8 | 170.9 | -19.4 | -151.9 | 174.5 | 28.1 | 0 | 0 | 110.6 | ||||
| 52 | L | 27.4 | Very low | 30.7 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 70% | 0.702 | 74% | 0.739 | S | S | * | * | trans | 73.5 | 148.8 | 159.2 | -59.5 | -178.2 | 0 | 0 | 0 | 118.4 | ||||
| 53 | Q | 26.9 | Very low | 31.6 | Very low | 138 Ų | 138 | 131 Ų | 131 | 65% | 0.645 | 74% | 0.737 | S | S | * | * | cis | -170.7 | 141.3 | -20.9 | -169.6 | -177.6 | -12.8 | 0 | 0 | 110.4 | ||||
| 54 | E | 27.5 | Very low | 31.8 | Very low | 146 Ų | 146 | 135 Ų | 135 | 68% | 0.682 | 74% | 0.738 | S | S | * | * | trans | 60.1 | 162.7 | 154.7 | -86.3 | 168.4 | 62.6 | 0 | 0 | 121.2 | ||||
| 55 | L | 28.8 | Very low | 31.9 | Very low | 126 Ų | 126 | 131.2 Ų | 131.2 | 66% | 0.66 | 73% | 0.733 | S | S | * | * | cis | -143.1 | 133.9 | 1 | -120 | 176 | 0 | 0 | 0 | 111.1 | ||||
| 56 | R | 26.8 | Very low | 31.9 | Very low | 189 Ų | 189 | 131.9 Ų | 131.9 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | 28.5 | 128.8 | 134.6 | 178.1 | -170.7 | -83.9 | -95.9 | 0.3 | 120.7 | E58 | R56-E58 IonicContact NH1-OE2 3.66Š| ||
| 57 | S | 28.8 | Very low | 30.6 | Very low | 118 Ų | 118 | 130.7 Ų | 130.7 | 83% | 0.825 | 74% | 0.74 | S | S | * | * | -160.2 | 127.9 | 119.9 | -80.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 58 | E | 27.7 | Very low | 30.2 | Very low | 153 Ų | 153 | 130.3 Ų | 130.3 | 72% | 0.715 | 74% | 0.74 | S | S | * | * | trans | -81.4 | -178.3 | 161.3 | -65.9 | 165.5 | 87.6 | 0 | 0 | 107.8 | R56 | R56-E58 IonicContact NH1-OE2 3.66Š| ||
| 59 | E | 29.1 | Very low | 30.3 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | cis | -171.7 | 166.7 | 35.6 | -159.5 | -158.6 | 83.9 | 0 | 0 | 111.8 | ||||
| 60 | S | 28 | Very low | 30.5 | Very low | 85 Ų | 85 | 138.7 Ų | 138.7 | 59% | 0.594 | 75% | 0.752 | S | S | * | * | trans | 74.5 | 147.9 | 146.4 | -95.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 61 | S | 29.9 | Very low | 31.6 | Very low | 112 Ų | 112 | 136.9 Ų | 136.9 | 78% | 0.783 | 75% | 0.749 | S | S | * | * | cis | -165.9 | 166.3 | -18.9 | -113.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 62 | K | 35.1 | Very low | 31.8 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | trans | -130.1 | 133.6 | -178.8 | -168.7 | 174.7 | -178.3 | 174.3 | 0 | 113.3 | ||||
| 63 | P | 48.9 | Very low | 31.9 | Very low | 121 Ų | 121 | 133.9 Ų | 133.9 | 79% | 0.786 | 76% | 0.76 | S | S | * | * | trans | -82.5 | 177.1 | 170.1 | -14.8 | 31.5 | 0 | 0 | 0 | 115.1 | ||||
| 64 | K | 31.3 | Very low | 32.1 | Very low | 173 Ų | 173 | 130.9 Ų | 130.9 | 75% | 0.752 | 77% | 0.767 | S | S | * | * | trans | -142.5 | 142.3 | 171.1 | -178.3 | 174.5 | -176.7 | -74.6 | 0 | 112.7 | D66 | K64-D66 IonicContact NZ-OD1 3.46Å; K64-D66 PolarHBondContact NZ-OD1 3.49Å; K64-D66 IonicContact NZ-OD2 3.68Å; K64-D66 PolarHBondContact NZ-OD2 3.11Å | ||
| 65 | G | 27.9 | Very low | 32.4 | Very low | 64 Ų | 64 | 130.7 Ų | 130.7 | 66% | 0.66 | 78% | 0.776 | S | S | * | * | trans | 172.7 | 115 | 165.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 66 | D | 30.4 | Very low | 32.7 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | cis | 82.1 | 127.6 | 49 | -63.3 | -48.9 | 0 | 0 | 0 | 113.9 | K64 | K64-D66 IonicContact NZ-OD1 3.46Å; K64-D66 PolarHBondContact NZ-OD1 3.49Å; K64-D66 IonicContact NZ-OD2 3.68Å; K64-D66 PolarHBondContact NZ-OD2 3.11Å | ||
| 67 | G | 29.4 | Very low | 34 | Very low | 87 Ų | 87 | 128 Ų | 128 | 90% | 0.897 | 78% | 0.782 | S | S | * | * | trans | 167.8 | 101.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 68 | S | 32.2 | Very low | 34.1 | Very low | 119 Ų | 119 | 131.3 Ų | 131.3 | 83% | 0.832 | 78% | 0.784 | S | S | * | * | trans | -116.8 | 140.4 | -178.7 | 175.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 69 | S | 31.1 | Very low | 34.2 | Very low | 121 Ų | 121 | 126.9 Ų | 126.9 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -170.9 | 145.7 | 149.7 | 24.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 70 | R | 33.9 | Very low | 34.3 | Very low | 237 Ų | 237 | 124 Ų | 124 | 89% | 0.894 | 78% | 0.783 | S | S | * | * | trans | -105.2 | 170.7 | 157 | -120.3 | -178.9 | 175.1 | -170.8 | -1.8 | 106.4 | ||||
| 71 | P | 51 | Low | 34.4 | Very low | 110 Ų | 110 | 128.3 Ų | 128.3 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | -157.6 | -177.5 | 50.1 | 44.5 | -22.9 | 0 | 0 | 0 | 118.7 | |||||
| 72 | V | 34.8 | Very low | 34.4 | Very low | 149 Ų | 149 | 126.6 Ų | 126.6 | 90% | 0.903 | 79% | 0.787 | S | S | * | * | trans | 63.6 | 136.8 | 151.5 | 163.4 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 73 | G | 29.4 | Very low | 34 | Very low | 71 Ų | 71 | 123.4 Ų | 123.4 | 73% | 0.732 | 79% | 0.788 | S | S | * | * | cis | 160.4 | 168.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 74 | G | 31.2 | Very low | 33.2 | Very low | 76 Ų | 76 | 125.3 Ų | 125.3 | 78% | 0.784 | 79% | 0.79 | S | S | * | * | trans | 88.3 | 144.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 75 | T | 34.7 | Very low | 33.5 | Very low | 142 Ų | 142 | 123.3 Ų | 123.3 | 87% | 0.871 | 80% | 0.795 | S | S | * | * | cis | -152 | 138.3 | -3.1 | 48.1 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 76 | D | 34.7 | Very low | 33.9 | Very low | 156 Ų | 156 | 125.4 Ų | 125.4 | 83% | 0.834 | 80% | 0.8 | S | S | * | * | trans | -75 | 179.3 | 160 | -82.8 | -60.9 | 0 | 0 | 0 | 111.7 | ||||
| 77 | P | 54.8 | Low | 33.9 | Very low | 103 Ų | 103 | 128 Ų | 128 | 67% | 0.669 | 81% | 0.813 | S | S | * | * | cis | -119.8 | -157.3 | 2.4 | 39.1 | -19.7 | 0 | 0 | 0 | 111.5 | ||||
| 78 | E | 31.4 | Very low | 33.8 | Very low | 186 Ų | 186 | 127.4 Ų | 127.4 | 87% | 0.869 | 81% | 0.806 | S | S | * | * | cis | -161.2 | 160.4 | 9 | -151.9 | 152.4 | 96.4 | 0 | 0 | 108.8 | ||||
| 79 | G | 29.2 | Very low | 33.9 | Very low | 60 Ų | 60 | 130.1 Ų | 130.1 | 62% | 0.619 | 81% | 0.806 | S | S | * | * | cis | 166.2 | 170.4 | -10 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 80 | A | 32 | Very low | 33.9 | Very low | 102 Ų | 102 | 132.9 Ų | 132.9 | 84% | 0.843 | 81% | 0.805 | S | S | * | * | trans | 66.1 | 143.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 81 | E | 30.1 | Very low | 33.6 | Very low | 175 Ų | 175 | 126.5 Ų | 126.5 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | cis | -169.6 | -179.7 | -14.6 | -117.6 | -79.7 | 60.4 | 0 | 0 | 110 | ||||
| 82 | A | 28.6 | Very low | 32.7 | Very low | 77 Ų | 77 | 127.2 Ų | 127.2 | 64% | 0.636 | 81% | 0.811 | S | S | * | * | trans | 81 | 76.6 | 154.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 83 | C | 27 | Very low | 32.4 | Very low | 126 Ų | 126 | 126.2 Ų | 126.2 | 85% | 0.851 | 81% | 0.811 | S | S | * | * | 55.1 | 136.3 | 121.6 | -63.8 | 0 | 0 | 0 | 0 | 124.4 | |||||
| 84 | L | 32.8 | Very low | 32.4 | Very low | 161 Ų | 161 | 128.4 Ų | 128.4 | 84% | 0.843 | 82% | 0.815 | S | S | * | * | trans | -70.6 | 170.7 | 157.7 | -52.2 | 168.3 | 0 | 0 | 0 | 111.4 | ||||
| 85 | P | 37.8 | Very low | 32.3 | Very low | 131 Ų | 131 | 128.2 Ų | 128.2 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | -142.9 | 164.3 | 87.4 | 39.2 | -25.1 | 0 | 0 | 0 | 115.7 | |||||
| 86 | S | 34.6 | Very low | 32.4 | Very low | 109 Ų | 109 | 127.6 Ų | 127.6 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | -99 | 132.8 | 178.6 | 54.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 87 | L | 30.5 | Very low | 32.2 | Very low | 190 Ų | 190 | 124.5 Ų | 124.5 | 100% | 0.995 | 81% | 0.807 | S | S | * | * | trans | -165.6 | 149.1 | 150.8 | -152.2 | 66.7 | 0 | 0 | 0 | 112.2 | ||||
| 88 | G | 28.2 | Very low | 31 | Very low | 74 Ų | 74 | 126 Ų | 126 | 76% | 0.763 | 82% | 0.818 | S | S | * | * | trans | 140.6 | 127.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 89 | Q | 34.4 | Very low | 31 | Very low | 176 Ų | 176 | 124.7 Ų | 124.7 | 82% | 0.822 | 81% | 0.812 | S | S | * | * | trans | -119.1 | 160.2 | 173.5 | -60.2 | -175.8 | 4.1 | 0 | 0 | 111 | ||||
| 90 | Q | 30.5 | Very low | 31.2 | Very low | 180 Ų | 180 | 129.8 Ų | 129.8 | 84% | 0.841 | 81% | 0.813 | S | S | * | * | trans | 61 | 118.2 | 163 | -59.2 | -178.6 | 24.3 | 0 | 0 | 118.7 | ||||
| 91 | A | 28.5 | Very low | 31.4 | Very low | 102 Ų | 102 | 129.6 Ų | 129.6 | 84% | 0.843 | 80% | 0.803 | S | S | * | * | -169.5 | 150.5 | 108.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 92 | S | 31.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 126 Ų | 126 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | trans | -100 | 138.5 | -176.7 | -42.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 93 | S | 28.6 | Very low | 32.6 | Very low | 129 Ų | 129 | 126.6 Ų | 126.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | trans | -159 | 138.6 | 149.5 | 55.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 94 | S | 29.8 | Very low | 33.7 | Very low | 117 Ų | 117 | 127.9 Ų | 127.9 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -117.2 | 124.3 | 176.2 | 52.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 95 | G | 27.8 | Very low | 34.4 | Very low | 71 Ų | 71 | 125.8 Ų | 125.8 | 73% | 0.732 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 144.3 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 96 | P | 37.8 | Very low | 35.2 | Very low | 130 Ų | 130 | 125 Ų | 125 | 84% | 0.844 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -73.5 | 152.7 | 176 | 31.5 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 97 | A | 30 | Very low | 36 | Very low | 91 Ų | 91 | 125.9 Ų | 125.9 | 75% | 0.752 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 158.7 | 165.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 98 | C | 29.8 | Very low | 37.1 | Very low | 133 Ų | 133 | 119.4 Ų | 119.4 | 90% | 0.899 | 71% | 0.708 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 134.4 | 175 | -158 | 0 | 0 | 0 | 0 | 110.3 | ||
| 99 | Q | 31.2 | Very low | 38.4 | Very low | 160 Ų | 160 | 120.7 Ų | 120.7 | 75% | 0.748 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -95.8 | 170.9 | 168.6 | -65.5 | -179.6 | -84.7 | 0 | 0 | 109.7 | ||
| 100 | R | 33 | Very low | 39.4 | Very low | 167 Ų | 167 | 119.2 Ų | 119.2 | 63% | 0.63 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -85.2 | 152.7 | 179.3 | -87.2 | -170.9 | -71.2 | 161.9 | -11 | 110.8 | E102 | R100-E102 VanDerWaalsContact C-N 3.26Å; R100-E102 WeakPolarHBondContact CB-OE1 3.5Å; R100-E102 WeakPolarHBondContact CD-OE2 3.27Å; R100-E102 IonicContact CZ-OE2 3.69Å; R100-E102 IonicContact NE-OE2 3.47Å; R100-E102 IonicContact NH1-OE2 2.67Å; R100-E102 PolarHBondContact NH1-OE2 3.01Å; R100-E102 PolarHBondContact O-N 3.42Å |
| 101 | P | 36.9 | Very low | 40.8 | Very low | 98 Ų | 98 | 115.5 Ų | 115.5 | 64% | 0.636 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -25.5 | -179.7 | 28.7 | -35.2 | 0 | 0 | 0 | 113.1 | D103 E104 | P101-D103 PolarHBondContact O-N 2.96Å; P101-E104 PolarHBondContact O-N 3.11Å; P101-E104 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 40 | Very low | 42.3 | Very low | 100 Ų | 100 | 112.2 Ų | 112.2 | 47% | 0.467 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -57.4 | -30.9 | 179.3 | -57.1 | 110.5 | -101.4 | 0 | 0 | 113.6 | R100 E104 | R100-E102 VanDerWaalsContact C-N 3.26Å; R100-E102 WeakPolarHBondContact CB-OE1 3.5Å; R100-E102 WeakPolarHBondContact CD-OE2 3.27Å; R100-E102 IonicContact CZ-OE2 3.69Å; R100-E102 IonicContact NE-OE2 3.47Å; R100-E102 IonicContact NH1-OE2 2.67Å; R100-E102 PolarHBondContact NH1-OE2 3.01Å; R100-E102 PolarHBondContact O-N 3.42Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 2.74Å |
| 103 | D | 43.5 | Very low | 44.1 | Very low | 89 Ų | 89 | 116 Ų | 116 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -68.8 | -22.9 | -180 | -75 | -56.1 | 0 | 0 | 0 | 113 | P101 Q107 | P101-D103 PolarHBondContact O-N 2.96Å; D103-Q107 VanDerWaalsContact O-CB 3.31Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å |
| 104 | E | 50.3 | Low | 46.4 | Very low | 152 Ų | 152 | 116.3 Ų | 116.3 | 71% | 0.71 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -81.1 | -35.4 | -173.7 | -60.9 | -163.5 | 145.1 | 0 | 0 | 112.8 | P101 E102 Q107 L108 | P101-E104 PolarHBondContact O-N 3.11Å; P101-E104 VanDerWaalsContact O-N 3.11Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 2.74Å; E104-Q107 PolarHBondContact O-N 2.86Å; E104-L108 WeakPolarHBondContact O-CB 3.15Å; E104-L108 PolarHBondContact O-N 3.17Å |
| 105 | E | 48.2 | Very low | 48.9 | Very low | 117 Ų | 117 | 114.2 Ų | 114.2 | 55% | 0.547 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -74.6 | -46.8 | -171.6 | -168.6 | 161 | -145.6 | 0 | 0 | 112.3 | Q107 L108 L109 L555 | E105-Q107 PolarHBondContact O-N 2.8Å; E105-L108 WeakPolarHBondContact O-CB 3.48Å; E105-L108 PolarHBondContact O-N 3.16Å; E105-L108 VanDerWaalsContact O-N 3.15Å; E105-L109 WeakPolarHBondContact O-CD1 3.47Å; E105-L109 PolarHBondContact O-N 3.48Å; E105-L555 HydrophobicContact CG-CD2 4.08Å |
| 106 | V | 53.3 | Low | 51.5 | Low | 114 Ų | 114 | 114.1 Ų | 114.1 | 69% | 0.691 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61.5 | -35.6 | 174 | -171.7 | 0 | 0 | 0 | 0 | 111 | ||
| 107 | Q | 52.3 | Low | 53.6 | Low | 128 Ų | 128 | 112 Ų | 112 | 60% | 0.598 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -74.6 | -25.6 | 179.5 | -159.3 | 155.9 | 121.8 | 0 | 0 | 112.6 | D103 E104 E105 Q110 V111 | D103-Q107 VanDerWaalsContact O-CB 3.31Å; D103-Q107 WeakPolarHBondContact O-CB 3.36Å; E104-Q107 PolarHBondContact O-N 2.86Å; E105-Q107 PolarHBondContact O-N 2.8Å; Q107-Q110 PolarHBondContact O-N 2.92Å; Q107-V111 WeakPolarHBondContact O-CG2 3.48Å |
| 108 | L | 54 | Low | 56.2 | Low | 54 Ų | 54 | 113.8 Ų | 113.8 | 28% | 0.283 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69 | -42.5 | 173.8 | -175.3 | 56 | 0 | 0 | 0 | 111.9 | E104 E105 Q110 V111 C112 L555 | E104-L108 WeakPolarHBondContact O-CB 3.15Å; E104-L108 PolarHBondContact O-N 3.17Å; E105-L108 WeakPolarHBondContact O-CB 3.48Å; E105-L108 PolarHBondContact O-N 3.16Å; E105-L108 VanDerWaalsContact O-N 3.15Å; L108-Q110 PolarHBondContact O-N 2.96Å; L108-V111 PolarHBondContact O-N 3.21Å; L108-C112 PolarHBondContact O-N 2.89Å; L108-C112 PolarHBondContact O-SG 2.86Å; L108-C112 VanDerWaalsContact O-SG 3.37Å; L108-L555 HydrophobicContact CD2-CB 3.93Å; L108-L555 HydrophobicContact CD2-CD1 4.32Å; L108-L555 HydrophobicContact CD2-CG 4.5Å; L108-L555 HydrophobicContact CG-CB 4.5Å |
| 109 | L | 55.5 | Low | 58.4 | Low | 101 Ų | 101 | 111.7 Ų | 111.7 | 53% | 0.529 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -57.2 | -35.1 | 173.3 | -84.9 | 94.8 | 0 | 0 | 0 | 112.3 | E105 V111 C112 L555 | E105-L109 WeakPolarHBondContact O-CD1 3.47Å; E105-L109 PolarHBondContact O-N 3.48Å; L109-V111 PolarHBondContact O-N 2.79Å; L109-C112 PolarHBondContact O-N 2.85Å; L109-L555 HydrophobicContact CD1-CD2 3.62Å |
| 110 | Q | 55.2 | Low | 60.9 | Low | 145 Ų | 145 | 109.7 Ų | 109.7 | 68% | 0.678 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.2 | 178.1 | -155 | 172.9 | 38.7 | 0 | 0 | 113.7 | Q107 L108 | Q107-Q110 PolarHBondContact O-N 2.92Å; L108-Q110 PolarHBondContact O-N 2.96Å |
| 111 | V | 59.4 | Low | 62.6 | Low | 103 Ų | 103 | 103.4 Ų | 103.4 | 62% | 0.624 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.4 | -20.4 | 177.6 | 176.8 | 0 | 0 | 0 | 0 | 112.3 | Q107 L108 L109 | Q107-V111 WeakPolarHBondContact O-CG2 3.48Å; L108-V111 PolarHBondContact O-N 3.21Å; L109-V111 PolarHBondContact O-N 2.79Å |
| 112 | C | 60.8 | Low | 63.7 | Low | 32 Ų | 32 | 105 Ų | 105 | 22% | 0.216 | 54% | 0.539 | C | S | . | . | trans | -58.6 | 133.9 | 173.9 | -71.9 | 0 | 0 | 0 | 0 | 111.9 | L108 L109 I134 | L108-C112 PolarHBondContact O-N 2.89Å; L108-C112 PolarHBondContact O-SG 2.86Å; L108-C112 VanDerWaalsContact O-SG 3.37Å; L109-C112 PolarHBondContact O-N 2.85Å; C112-I134 HydrophobicContact CB-CD1 4.08Å | ||
| 113 | R | 68.6 | Low | 65 | Low | 204 Ų | 204 | 108 Ų | 108 | 77% | 0.77 | 55% | 0.553 | S | S | * | * | trans | -115.9 | -14 | -179.1 | -66.3 | -175.9 | 178.1 | -171.5 | -3.7 | 113.9 | P133 I134 | R113-P133 CarbonylContact O-C 3.57Å; R113-P133 VanDerWaalsContact O-CA 3.31Å; R113-P133 WeakPolarHBondContact O-CA 3.48Å; R113-I134 PolarHBondContact O-N 2.89Å | ||
| 114 | E | 76.9 | Confident | 66.2 | Low | 136 Ų | 136 | 106.5 Ų | 106.5 | 64% | 0.636 | 56% | 0.558 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -144.6 | 143.4 | -175.6 | -69.1 | 169 | -171.7 | 0 | 0 | 107.2 | P131 A132 | E114-P131 HydrophobicContact CB-CB 4.48Å; E114-A132 CarbonylContact C-O 3.51Å; E114-A132 VanDerWaalsContact CA-O 3.29Å; E114-A132 WeakPolarHBondContact CA-O 3.29Å |
| 115 | V | 82.5 | Confident | 67.4 | Low | 74 Ų | 74 | 105.6 Ų | 105.6 | 45% | 0.448 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.6 | 145 | 174.6 | 68.3 | 0 | 0 | 0 | 0 | 110.1 | P131 A132 I134 | V115-P131 WeakPolarHBondContact O-CA 3.36Å; V115-A132 HydrophobicContact CG1-CB 4.15Å; V115-A132 PolarHBondContact N-O 3.15Å; V115-A132 PolarHBondContact O-N 2.9Å; V115-I134 HydrophobicContact CB-CD1 4.26Å; V115-I134 HydrophobicContact CB-CG1 4.38Å; V115-I134 HydrophobicContact CG1-CG1 4.46Å |
| 116 | V | 82.1 | Confident | 69 | Low | 68 Ų | 68 | 103.7 Ų | 103.7 | 41% | 0.412 | 55% | 0.553 | S | S | . | * | trans | -127.2 | 134.6 | 174.5 | 171.8 | 0 | 0 | 0 | 0 | 107.4 | D128 P131 | V116-D128 HydrophobicContact CG1-CB 4.03Å; V116-P131 HydrophobicContact CG2-CB 3.89Å; V116-P131 HydrophobicContact CG2-CG 3.73Å | ||
| 117 | V | 82.7 | Confident | 70.2 | Confident | 85 Ų | 85 | 100.8 Ų | 100.8 | 52% | 0.515 | 54% | 0.541 | S | S | . | . | trans | -104.6 | 126.5 | 175 | -179.7 | 0 | 0 | 0 | 0 | 108.3 | S129 | V117-S129 PolarHBondContact N-OG 2.94Å; V117-S129 WeakPolarHBondContact O-CB 3.44Å; V117-S129 PolarHBondContact O-N 3.03Å | ||
| 118 | R | 82.9 | Confident | 71.8 | Confident | 130 Ų | 130 | 98.9 Ų | 98.9 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 128.6 | 166 | -89.3 | -177.7 | 172.5 | 131.4 | 14.1 | 110.1 | A127 D128 E556 | R118-A127 WeakPolarHBondContact CA-O 3.23Å; R118-D128 WeakPolarHBondContact CG-OD1 3.46Å; R118-D128 IonicContact CZ-OD1 3.28Å; R118-D128 IonicContact CZ-OD2 2.68Å; R118-D128 IonicContact NE-OD1 2.72Å; R118-D128 PolarHBondContact NE-OD1 2.88Å; R118-D128 IonicContact NE-OD2 2.69Å; R118-D128 PolarHBondContact NE-OD2 2.86Å; R118-D128 IonicContact NH2-OD1 3.84Å; R118-D128 PolarHBondContact NH2-OD1 2.75Å; R118-D128 IonicContact NH2-OD2 3.39Å; R118-D128 PolarHBondContact NH2-OD2 2.32Å; R118-E556 IonicContact CZ-OE1 3.74Å; R118-E556 IonicContact NH1-OE1 3.78Å; R118-E556 PolarHBondContact NH1-OE1 3.46Å |
| 119 | T | 78 | Confident | 73.2 | Confident | 89 Ų | 89 | 98.5 Ų | 98.5 | 55% | 0.546 | 54% | 0.537 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.5 | 165.6 | 53.4 | 0 | 0 | 0 | 0 | 109.6 | S126 A127 | T119-S126 WeakPolarHBondContact O-CA 3.34Å; T119-A127 PolarHBondContact N-O 3.49Å; T119-A127 PolarHBondContact O-N 3.05Å |
| 120 | M | 82.6 | Confident | 74.5 | Confident | 118 Ų | 118 | 101 Ų | 101 | 58% | 0.581 | 55% | 0.549 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 126.4 | 174.2 | -67.1 | -54.9 | -52.1 | 0 | 0 | 109.9 | G124 E125 S126 | M120-G124 WeakPolarHBondContact CE-O 3.39Å; M120-E125 WeakPolarHBondContact CA-O 3.24Å; M120-S126 WeakPolarHBondContact SD-CB 3.22Å |
| 121 | S | 67.9 | Low | 75.9 | Confident | 35 Ų | 35 | 97.4 Ų | 97.4 | 25% | 0.245 | 54% | 0.539 | C | S | . | . | trans | -69 | 145.2 | 164.2 | 176 | 0 | 0 | 0 | 0 | 109.5 | H123 G124 E125 | S121-H123 PolarHBondContact O-N 2.78Å; S121-H123 PolarHBondContact OG-N 2.86Å; S121-H123 PolarHBondContact OG-ND1 2.81Å; S121-G124 PolarHBondContact O-N 3.24Å; S121-E125 PolarHBondContact N-O 2.79Å; S121-E125 PolarHBondContact OG-OE2 2.98Å | ||
| 122 | P | 60.9 | Low | 76.8 | Confident | 132 Ų | 132 | 94.8 Ų | 94.8 | 86% | 0.857 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | -17.8 | 169.6 | -26.8 | 35.6 | 0 | 0 | 0 | 114.2 | G124 | P122-G124 VanDerWaalsContact C-N 3.33Š|
| 123 | H | 66.6 | Low | 77.5 | Confident | 163 Ų | 163 | 98.2 Ų | 98.2 | 76% | 0.755 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 3.2 | 177.1 | -53.4 | 92.6 | 0 | 0 | 0 | 113.8 | S121 | S121-H123 PolarHBondContact O-N 2.78Å; S121-H123 PolarHBondContact OG-N 2.86Å; S121-H123 PolarHBondContact OG-ND1 2.81Å |
| 124 | G | 69.2 | Low | 77.7 | Confident | 56 Ų | 56 | 92.2 Ų | 92.2 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | S | Bend | trans | 86.9 | 8.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | M120 S121 P122 | M120-G124 WeakPolarHBondContact CE-O 3.39Å; S121-G124 PolarHBondContact O-N 3.24Å; P122-G124 VanDerWaalsContact C-N 3.33Å |
| 125 | E | 76 | Confident | 76.7 | Confident | 134 Ų | 134 | 91.3 Ų | 91.3 | 63% | 0.626 | 54% | 0.535 | S | S | * | . | trans | -82.8 | 131.9 | 176.7 | -54.4 | 172.2 | 120.6 | 0 | 0 | 110.7 | M120 S121 | M120-E125 WeakPolarHBondContact CA-O 3.24Å; S121-E125 PolarHBondContact N-O 2.79Å; S121-E125 PolarHBondContact OG-OE2 2.98Å | ||
| 126 | S | 80.9 | Confident | 75.4 | Confident | 76 Ų | 76 | 94 Ų | 94 | 53% | 0.531 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -107.6 | 131 | -179.7 | 62.5 | 0 | 0 | 0 | 0 | 111.8 | T119 M120 | T119-S126 WeakPolarHBondContact O-CA 3.34Å; M120-S126 WeakPolarHBondContact SD-CB 3.22Å |
| 127 | A | 79.3 | Confident | 73.9 | Confident | 54 Ų | 54 | 94.7 Ų | 94.7 | 45% | 0.446 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.1 | 128.8 | 171 | 0 | 0 | 0 | 0 | 0 | 111.6 | R118 T119 | R118-A127 WeakPolarHBondContact CA-O 3.23Å; T119-A127 PolarHBondContact N-O 3.49Å; T119-A127 PolarHBondContact O-N 3.05Å |
| 128 | D | 86.5 | Confident | 71.9 | Confident | 87 Ų | 87 | 99.1 Ų | 99.1 | 47% | 0.465 | 59% | 0.587 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -89.8 | 132.2 | 176.6 | -65.6 | 26.1 | 0 | 0 | 0 | 109.7 | V116 R118 | V116-D128 HydrophobicContact CG1-CB 4.03Å; R118-D128 WeakPolarHBondContact CG-OD1 3.46Å; R118-D128 IonicContact CZ-OD1 3.28Å; R118-D128 IonicContact CZ-OD2 2.68Å; R118-D128 IonicContact NE-OD1 2.72Å; R118-D128 PolarHBondContact NE-OD1 2.88Å; R118-D128 IonicContact NE-OD2 2.69Å; R118-D128 PolarHBondContact NE-OD2 2.86Å; R118-D128 IonicContact NH2-OD1 3.84Å; R118-D128 PolarHBondContact NH2-OD1 2.75Å; R118-D128 IonicContact NH2-OD2 3.39Å; R118-D128 PolarHBondContact NH2-OD2 2.32Å |
| 129 | S | 82.3 | Confident | 69.7 | Low | 47 Ų | 47 | 96.9 Ų | 96.9 | 33% | 0.329 | 60% | 0.596 | S | S | . | * | P | Polyproline II helix | trans | -66.6 | 158.1 | 171.7 | 81.9 | 0 | 0 | 0 | 0 | 111.7 | V117 | V117-S129 PolarHBondContact N-OG 2.94Å; V117-S129 WeakPolarHBondContact O-CB 3.44Å; V117-S129 PolarHBondContact O-N 3.03Å |
| 130 | I | 82.8 | Confident | 68 | Low | 153 Ų | 153 | 98.8 Ų | 98.8 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 135.3 | 165.2 | -57.6 | 176.6 | 0 | 0 | 0 | 108.2 | A132 | I130-A132 PolarHBondContact O-N 2.96Š|
| 131 | P | 83.9 | Confident | 65.8 | Low | 70 Ų | 70 | 98.3 Ų | 98.3 | 46% | 0.455 | 63% | 0.625 | S | S | . | * | P | Polyproline II helix | trans | -58.6 | 124.2 | 177.6 | -24 | 32.2 | 0 | 0 | 0 | 112.3 | E114 V115 V116 | E114-P131 HydrophobicContact CB-CB 4.48Å; V115-P131 WeakPolarHBondContact O-CA 3.36Å; V116-P131 HydrophobicContact CG2-CB 3.89Å; V116-P131 HydrophobicContact CG2-CG 3.73Å |
| 132 | A | 78.6 | Confident | 64.3 | Low | 47 Ų | 47 | 101.3 Ų | 101.3 | 39% | 0.388 | 65% | 0.646 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.2 | 126.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | E114 V115 I130 | E114-A132 CarbonylContact C-O 3.51Å; E114-A132 VanDerWaalsContact CA-O 3.29Å; E114-A132 WeakPolarHBondContact CA-O 3.29Å; V115-A132 HydrophobicContact CG1-CB 4.15Å; V115-A132 PolarHBondContact N-O 3.15Å; V115-A132 PolarHBondContact O-N 2.9Å; I130-A132 PolarHBondContact O-N 2.96Å |
| 133 | P | 75.6 | Confident | 63.1 | Low | 104 Ų | 104 | 102.9 Ų | 102.9 | 68% | 0.675 | 65% | 0.647 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74 | 131.3 | -176.7 | 28.9 | -34.3 | 0 | 0 | 0 | 112.4 | R113 | R113-P133 CarbonylContact O-C 3.57Å; R113-P133 VanDerWaalsContact O-CA 3.31Å; R113-P133 WeakPolarHBondContact O-CA 3.48Å |
| 134 | I | 72.9 | Confident | 61.7 | Low | 79 Ų | 79 | 100.8 Ų | 100.8 | 41% | 0.405 | 65% | 0.647 | S | S | . | * | trans | -85.7 | 110.5 | 172.8 | -50.5 | 175.7 | 0 | 0 | 0 | 108.1 | C112 R113 V115 P136 | C112-I134 HydrophobicContact CB-CD1 4.08Å; R113-I134 PolarHBondContact O-N 2.89Å; V115-I134 HydrophobicContact CB-CD1 4.26Å; V115-I134 HydrophobicContact CB-CG1 4.38Å; V115-I134 HydrophobicContact CG1-CG1 4.46Å; I134-P136 WeakPolarHBondContact O-CD 3.48Å | ||
| 135 | T | 55.8 | Low | 59.8 | Low | 116 Ų | 116 | 102.5 Ų | 102.5 | 71% | 0.712 | 66% | 0.656 | S | S | * | * | trans | -78.3 | 121.3 | 173.7 | 49.5 | 0 | 0 | 0 | 0 | 110.7 | A137 | T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 2.66Å | ||
| 136 | P | 55.4 | Low | 57.7 | Low | 132 Ų | 132 | 107.7 Ų | 107.7 | 86% | 0.857 | 67% | 0.67 | S | S | * | * | trans | -76.3 | 81.9 | -179.3 | 31.4 | -35.5 | 0 | 0 | 0 | 111.3 | I134 | I134-P136 WeakPolarHBondContact O-CD 3.48Š| ||
| 137 | A | 51.6 | Low | 55.3 | Low | 82 Ų | 82 | 110.1 Ų | 110.1 | 68% | 0.678 | 68% | 0.682 | S | S | * | * | trans | -85.7 | 130.9 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110 | T135 | T135-A137 VanDerWaalsContact C-N 3.33Å; T135-A137 PolarHBondContact O-N 2.66Å | ||
| 138 | L | 39.8 | Very low | 52.7 | Low | 178 Ų | 178 | 112.9 Ų | 112.9 | 93% | 0.932 | 70% | 0.697 | S | S | * | * | trans | 73.9 | 84.5 | 173.5 | -49.7 | 179.5 | 0 | 0 | 0 | 117.6 | ||||
| 139 | A | 36.3 | Very low | 50 | Low | 82 Ų | 82 | 114 Ų | 114 | 68% | 0.678 | 71% | 0.711 | S | S | * | * | trans | -146.5 | 141.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 140 | P | 42.3 | Very low | 47.6 | Very low | 129 Ų | 129 | 117.6 Ų | 117.6 | 84% | 0.838 | 73% | 0.733 | S | S | * | * | cis | -130 | 138.3 | 43 | 37.3 | -21.9 | 0 | 0 | 0 | 115.7 | ||||
| 141 | A | 38 | Very low | 45 | Very low | 108 Ų | 108 | 115.9 Ų | 115.9 | 89% | 0.893 | 74% | 0.735 | S | S | * | * | trans | -143.1 | 31.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 142 | S | 35 | Very low | 42.8 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 69% | 0.685 | 75% | 0.747 | S | S | * | * | trans | -147.5 | 89.2 | -175.8 | 56 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 143 | L | 35.6 | Very low | 40.5 | Very low | 166 Ų | 166 | 124.9 Ų | 124.9 | 87% | 0.869 | 77% | 0.772 | S | S | * | * | trans | -130.1 | 126.5 | 162.1 | -76.3 | 177.4 | 0 | 0 | 0 | 108.8 | A145 | L143-A145 PolarHBondContact O-N 3.45Š| ||
| 144 | P | 37.1 | Very low | 38.7 | Very low | 118 Ų | 118 | 125.4 Ų | 125.4 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -72.4 | 112.8 | -177.7 | 27.9 | -33.6 | 0 | 0 | 0 | 111 | R146 | P144-R146 PolarHBondContact O-N 2.82Š| ||
| 145 | A | 29.1 | Very low | 36.6 | Very low | 93 Ų | 93 | 126.8 Ų | 126.8 | 77% | 0.769 | 79% | 0.792 | S | S | * | * | trans | -69.4 | 93.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L143 V147 | L143-A145 PolarHBondContact O-N 3.45Å; A145-V147 VanDerWaalsContact C-N 3.35Å; A145-V147 PolarHBondContact O-N 3.25Å | ||
| 146 | R | 32.7 | Very low | 35.9 | Very low | 242 Ų | 242 | 127.2 Ų | 127.2 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 86.1 | 172 | -77.3 | -170.6 | 168.1 | -143.2 | -3.4 | 111.3 | P144 S148 | P144-R146 PolarHBondContact O-N 2.82Å; R146-S148 PolarHBondContact O-N 3.01Å | ||
| 147 | V | 30 | Very low | 34.9 | Very low | 128 Ų | 128 | 129.8 Ų | 129.8 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -67.9 | 122.4 | 167.6 | -174.5 | 0 | 0 | 0 | 0 | 108.9 | A145 | A145-V147 VanDerWaalsContact C-N 3.35Å; A145-V147 PolarHBondContact O-N 3.25Å | ||
| 148 | S | 26.1 | Very low | 33.9 | Very low | 111 Ų | 111 | 129.9 Ų | 129.9 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -119.7 | 110.7 | 177 | -170.3 | 0 | 0 | 0 | 0 | 109.6 | R146 | R146-S148 PolarHBondContact O-N 3.01Š| ||
| 149 | C | 28.5 | Very low | 33.5 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 132.2 | -176.1 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 150 | P | 31.9 | Very low | 33.2 | Very low | 122 Ų | 122 | 133.8 Ų | 133.8 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -96.1 | 118.2 | 166.6 | 33.5 | -27.9 | 0 | 0 | 0 | 111.4 | ||
| 151 | S | 28 | Very low | 33.4 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.7 | 141.5 | 165.5 | -55.2 | 0 | 0 | 0 | 0 | 110.7 | ||
| 152 | P | 38.9 | Very low | 33 | Very low | 112 Ų | 112 | 136.5 Ų | 136.5 | 73% | 0.727 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 138.7 | -173.8 | 34 | -34.4 | 0 | 0 | 0 | 113 | ||
| 153 | H | 29.4 | Very low | 32.8 | Very low | 195 Ų | 195 | 136.3 Ų | 136.3 | 90% | 0.903 | 80% | 0.804 | S | S | * | * | trans | -158.7 | 167.4 | 160.6 | -95.8 | -39.1 | 0 | 0 | 0 | 111.8 | ||||
| 154 | P | 38.3 | Very low | 32.5 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -97.5 | 176.1 | -137.1 | 37.9 | -39.4 | 0 | 0 | 0 | 117.5 | ||||
| 155 | S | 28.3 | Very low | 32.1 | Very low | 108 Ų | 108 | 133 Ų | 133 | 76% | 0.755 | 80% | 0.803 | S | S | * | * | trans | -73 | 166.7 | 176 | 54 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 156 | P | 42 | Very low | 32.3 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | -136 | -172.9 | 115.7 | 38.7 | -28.3 | 0 | 0 | 0 | 114.7 | |||||
| 157 | E | 33.6 | Very low | 33.3 | Very low | 187 Ų | 187 | 128.9 Ų | 128.9 | 87% | 0.874 | 80% | 0.803 | S | S | * | * | trans | -91.9 | 162.4 | -148.7 | -59.4 | 166.9 | 64.6 | 0 | 0 | 119.6 | ||||
| 158 | A | 31.1 | Very low | 33.3 | Very low | 83 Ų | 83 | 126.3 Ų | 126.3 | 69% | 0.686 | 80% | 0.802 | S | S | * | * | trans | 65.3 | 116 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 159 | R | 31 | Very low | 34.2 | Very low | 251 Ų | 251 | 127.4 Ų | 127.4 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | -178.5 | 152.7 | 96.2 | -97.1 | 179.9 | 179.2 | -170.3 | 0.1 | 113.3 | |||||
| 160 | A | 31.2 | Very low | 34.2 | Very low | 91 Ų | 91 | 125.4 Ų | 125.4 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | trans | -116 | 159.8 | 160.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 161 | P | 45.3 | Very low | 34.1 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 81% | 0.807 | S | S | * | * | -154 | 144.7 | 115.4 | 35.5 | -16.7 | 0 | 0 | 0 | 118.2 | |||||
| 162 | L | 29.7 | Very low | 34.9 | Very low | 179 Ų | 179 | 126.9 Ų | 126.9 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | 69.7 | 171.1 | 143.7 | -62 | 171.5 | 0 | 0 | 0 | 120.3 | ||||
| 163 | A | 30.3 | Very low | 34.5 | Very low | 94 Ų | 94 | 126.9 Ų | 126.9 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | trans | -155.2 | -159.3 | -149.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 164 | S | 30.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 123.1 Ų | 123.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | 88.8 | 154.6 | -178.5 | 83.5 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 165 | A | 28.4 | Very low | 35.1 | Very low | 92 Ų | 92 | 123 Ų | 123 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | cis | -149.9 | 164.2 | 11.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 166 | S | 32.7 | Very low | 35.2 | Very low | 113 Ų | 113 | 124.9 Ų | 124.9 | 79% | 0.79 | 80% | 0.801 | S | S | * | * | trans | -104 | 164.2 | 156.6 | -47.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 167 | P | 53.4 | Low | 34.5 | Very low | 137 Ų | 137 | 126 Ų | 126 | 89% | 0.89 | 80% | 0.796 | S | S | * | * | -156.2 | 171.1 | 87.4 | 40.2 | -20.9 | 0 | 0 | 0 | 117.1 | |||||
| 168 | G | 30.1 | Very low | 34.4 | Very low | 73 Ų | 73 | 124.9 Ų | 124.9 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 174.1 | 128.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 169 | P | 45.9 | Very low | 35 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -130.5 | 155.7 | -162.1 | 41.6 | -27.5 | 0 | 0 | 0 | 119 | ||||
| 170 | G | 28.5 | Very low | 35 | Very low | 70 Ų | 70 | 119.3 Ų | 119.3 | 72% | 0.722 | 79% | 0.787 | S | S | * | * | 97.9 | 109.9 | 119.4 | 0 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 171 | D | 28.8 | Very low | 36.2 | Very low | 156 Ų | 156 | 120.5 Ų | 120.5 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | 65 | 167.3 | 140.3 | -86.8 | -35.1 | 0 | 0 | 0 | 121.2 | ||||
| 172 | P | 46.1 | Very low | 35.6 | Very low | 114 Ų | 114 | 123.3 Ų | 123.3 | 74% | 0.74 | 80% | 0.795 | S | S | * | * | cis | -132.6 | 155.7 | 7.3 | 40.2 | -23.3 | 0 | 0 | 0 | 119.3 | ||||
| 173 | S | 29.9 | Very low | 35.7 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 78% | 0.776 | 78% | 0.782 | S | S | * | * | trans | 38.9 | 140.5 | 134.4 | -55.2 | 0 | 0 | 0 | 0 | 126 | ||||
| 174 | S | 32.1 | Very low | 35.6 | Very low | 116 Ų | 116 | 119.8 Ų | 119.8 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -74.4 | 175.8 | 171.8 | -28.6 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 175 | P | 47.2 | Very low | 35.5 | Very low | 112 Ų | 112 | 121.6 Ų | 121.6 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | -159.9 | 156.8 | 69.9 | 41.1 | -18.3 | 0 | 0 | 0 | 121.9 | |||||
| 176 | L | 30.1 | Very low | 35.6 | Very low | 147 Ų | 147 | 125.2 Ų | 125.2 | 77% | 0.77 | 78% | 0.78 | S | S | * | * | trans | 59.3 | 122.5 | 137.2 | -61.8 | 169.4 | 0 | 0 | 0 | 126.7 | ||||
| 177 | Q | 28.8 | Very low | 37.1 | Very low | 149 Ų | 149 | 124.5 Ų | 124.5 | 70% | 0.696 | 77% | 0.773 | S | S | * | * | 84.5 | 120.7 | 128.1 | -73.9 | -172.9 | 11.1 | 0 | 0 | 126.9 | |||||
| 178 | H | 31.6 | Very low | 37.2 | Very low | 164 Ų | 164 | 124 Ų | 124 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 63.3 | 163 | 138.3 | -67.2 | -54.2 | 0 | 0 | 0 | 122.1 | ||||
| 179 | P | 43.5 | Very low | 37.2 | Very low | 125 Ų | 125 | 124.3 Ų | 124.3 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | cis | -125.6 | -154.9 | -2.8 | 43 | -26.2 | 0 | 0 | 0 | 114.4 | ||||
| 180 | A | 30.8 | Very low | 36.3 | Very low | 92 Ų | 92 | 122.8 Ų | 122.8 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -153.5 | -177.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 181 | P | 57.3 | Low | 37.8 | Very low | 115 Ų | 115 | 125 Ų | 125 | 75% | 0.747 | 77% | 0.773 | S | S | * | * | cis | -132.7 | -148.6 | -14.7 | 37.5 | -14.8 | 0 | 0 | 0 | 113.3 | ||||
| 182 | L | 31.8 | Very low | 39.1 | Very low | 174 Ų | 174 | 123 Ų | 123 | 91% | 0.911 | 77% | 0.769 | S | S | * | * | trans | 84.8 | 154.1 | 170.3 | -52.6 | 172.9 | 0 | 0 | 0 | 118.1 | ||||
| 183 | G | 31.7 | Very low | 38.6 | Very low | 64 Ų | 64 | 121.9 Ų | 121.9 | 66% | 0.66 | 77% | 0.769 | S | S | * | * | cis | 150.9 | 143.4 | -11.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 184 | T | 28.3 | Very low | 38.9 | Very low | 135 Ų | 135 | 121.7 Ų | 121.7 | 83% | 0.828 | 77% | 0.768 | S | S | * | * | trans | -169.6 | 148.8 | 173.4 | 23 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 185 | Q | 27.9 | Very low | 40.4 | Very low | 160 Ų | 160 | 122 Ų | 122 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | cis | -163.4 | 144.2 | -16.9 | -142.9 | -167 | 106.1 | 0 | 0 | 113.9 | ||||
| 186 | E | 31 | Very low | 39.6 | Very low | 168 Ų | 168 | 121.8 Ų | 121.8 | 79% | 0.785 | 77% | 0.768 | S | S | * | * | trans | 55 | 159.5 | 148.2 | -76.9 | -114.4 | 90.7 | 0 | 0 | 127 | ||||
| 187 | P | 63.8 | Low | 39.9 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 64% | 0.636 | 77% | 0.768 | S | S | * | * | trans | -119.2 | -135.2 | -169.4 | 44.7 | -27.8 | 0 | 0 | 0 | 112.2 | ||||
| 188 | P | 56.3 | Low | 40.2 | Very low | 128 Ų | 128 | 123.1 Ų | 123.1 | 83% | 0.831 | 76% | 0.762 | S | S | * | * | cis | -134.5 | -178.9 | -20 | 34.9 | -13.6 | 0 | 0 | 0 | 117.2 | ||||
| 189 | G | 29.7 | Very low | 40 | Very low | 78 Ų | 78 | 123.8 Ų | 123.8 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 178.5 | 145.6 | 164.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 190 | A | 27 | Very low | 39.3 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | trans | -145 | -167.1 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 191 | P | 60.9 | Low | 39.1 | Very low | 116 Ų | 116 | 128.1 Ų | 128.1 | 75% | 0.753 | 77% | 0.774 | S | S | * | * | trans | -113 | -165.3 | -135.5 | 42.8 | -25.9 | 0 | 0 | 0 | 114.6 | ||||
| 192 | P | 54.8 | Low | 37.6 | Very low | 116 Ų | 116 | 125.6 Ų | 125.6 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | -158.9 | 170.4 | 88.7 | 42.9 | -23.5 | 0 | 0 | 0 | 119.2 | |||||
| 193 | A | 35.8 | Very low | 37.5 | Very low | 90 Ų | 90 | 122.9 Ų | 122.9 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | trans | 65.1 | 150.2 | 141.8 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 194 | S | 37 | Very low | 37.2 | Very low | 106 Ų | 106 | 127 Ų | 127 | 74% | 0.741 | 77% | 0.766 | S | S | * | * | cis | -170 | 165.6 | -10.7 | -102.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 195 | P | 62.5 | Low | 37.1 | Very low | 122 Ų | 122 | 128.8 Ų | 128.8 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | cis | -113 | -119.6 | 15.8 | 37.1 | -18.8 | 0 | 0 | 0 | 114.1 | ||||
| 196 | S | 30.3 | Very low | 36.9 | Very low | 108 Ų | 108 | 128.1 Ų | 128.1 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | cis | -147.4 | -163.1 | 20.6 | -161 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 197 | R | 37.7 | Very low | 38.3 | Very low | 202 Ų | 202 | 125 Ų | 125 | 76% | 0.762 | 76% | 0.761 | S | S | * | * | trans | -147.5 | 154.7 | -169 | -95.2 | -173.8 | 122.2 | -163.2 | -9.7 | 111.9 | ||||
| 198 | E | 34 | Very low | 37.1 | Very low | 123 Ų | 123 | 126.1 Ų | 126.1 | 58% | 0.575 | 77% | 0.769 | S | S | * | * | cis | -165.3 | 164.1 | -9.3 | -161.3 | 164.6 | 60.3 | 0 | 0 | 112.5 | ||||
| 199 | M | 27.9 | Very low | 35.8 | Very low | 177 Ų | 177 | 123.9 Ų | 123.9 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | 82.5 | 131.2 | 146.5 | -108 | 170.9 | -172.7 | 0 | 0 | 123.9 | ||||
| 200 | A | 29.5 | Very low | 36.3 | Very low | 96 Ų | 96 | 125.7 Ų | 125.7 | 79% | 0.793 | 76% | 0.759 | S | S | * | * | trans | -86.1 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 201 | K | 26.6 | Very low | 36.4 | Very low | 212 Ų | 212 | 125.9 Ų | 125.9 | 92% | 0.922 | 75% | 0.753 | S | S | * | * | 153.3 | 132.6 | 114.4 | -174 | 177.8 | -178.1 | -173.9 | 0 | 115.8 | |||||
| 202 | G | 25.2 | Very low | 35.1 | Very low | 63 Ų | 63 | 126 Ų | 126 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | trans | 94.6 | 141.8 | 167 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 203 | S | 29.2 | Very low | 34.1 | Very low | 116 Ų | 116 | 128.6 Ų | 128.6 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | cis | 77.4 | 135.1 | 31.2 | 79.1 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 204 | H | 26.7 | Very low | 33.9 | Very low | 150 Ų | 150 | 131.8 Ų | 131.8 | 69% | 0.694 | 76% | 0.758 | S | S | * | * | cis | -165.8 | 162.9 | 21.2 | -158.9 | -128.4 | 0 | 0 | 0 | 112.3 | ||||
| 205 | E | 25.7 | Very low | 33.8 | Very low | 173 Ų | 173 | 135.9 Ų | 135.9 | 81% | 0.808 | 77% | 0.765 | S | S | * | * | trans | 62.4 | -176.2 | 148.7 | -102.7 | 166.4 | -0.8 | 0 | 0 | 124.9 | ||||
| 206 | D | 24.1 | Very low | 32.1 | Very low | 146 Ų | 146 | 134.7 Ų | 134.7 | 78% | 0.781 | 77% | 0.766 | S | S | * | * | trans | -121.9 | -132.4 | -157.1 | -170.2 | 8.2 | 0 | 0 | 0 | 112.6 | ||||
| 207 | P | 58.6 | Low | 32.2 | Very low | 102 Ų | 102 | 132.5 Ų | 132.5 | 66% | 0.662 | 76% | 0.76 | S | S | * | * | trans | -108 | -169.7 | -141.4 | 40.3 | -22 | 0 | 0 | 0 | 114.2 | ||||
| 208 | P | 39.3 | Very low | 31.8 | Very low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 76% | 0.763 | S | S | * | * | cis | -142.4 | -159.5 | 11.1 | 42.5 | -19.3 | 0 | 0 | 0 | 116.8 | ||||
| 209 | A | 28.6 | Very low | 32 | Very low | 82 Ų | 82 | 126.5 Ų | 126.5 | 68% | 0.678 | 78% | 0.775 | S | S | * | * | trans | -70.9 | 177.8 | 165.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 210 | P | 40.3 | Very low | 32.4 | Very low | 115 Ų | 115 | 123 Ų | 123 | 75% | 0.747 | 76% | 0.763 | S | S | * | * | cis | -158 | 176.9 | 47.2 | 44.3 | -21.1 | 0 | 0 | 0 | 121.1 | ||||
| 211 | C | 29.2 | Very low | 32.9 | Very low | 107 Ų | 107 | 125.8 Ų | 125.8 | 72% | 0.723 | 76% | 0.764 | S | S | * | * | trans | 38.6 | 133.8 | 145.4 | -58.9 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 212 | S | 34.5 | Very low | 33 | Very low | 118 Ų | 118 | 118.9 Ų | 118.9 | 83% | 0.825 | 75% | 0.752 | S | S | * | * | trans | 173.4 | 118.7 | 139.4 | -74 | 0 | 0 | 0 | 0 | 110 | ||||
| 213 | Q | 33.6 | Very low | 33.3 | Very low | 170 Ų | 170 | 122.3 Ų | 122.3 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | 100.5 | 125.3 | 66.1 | -164.5 | -172.2 | -39.1 | 0 | 0 | 115 | |||||
| 214 | E | 32.2 | Very low | 33.6 | Very low | 158 Ų | 158 | 122.2 Ų | 122.2 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | trans | 97.9 | 146.7 | 154.9 | -137.8 | 139.6 | 118.1 | 0 | 0 | 123.8 | ||||
| 215 | E | 33.6 | Very low | 33.8 | Very low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | 64.5 | 161.4 | 169.4 | -133.5 | 170.9 | 112.2 | 0 | 0 | 121 | ||||
| 216 | A | 28.4 | Very low | 34.1 | Very low | 98 Ų | 98 | 123 Ų | 123 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -125.2 | 147.3 | -164.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 217 | G | 32.2 | Very low | 34.6 | Very low | 61 Ų | 61 | 126 Ų | 126 | 63% | 0.629 | 77% | 0.765 | S | S | * | * | trans | -164.8 | 154.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.1 | V220 | G217-V220 WeakPolarHBondContact O-CG2 3.25Š| ||
| 218 | A | 28 | Very low | 33.1 | Very low | 99 Ų | 99 | 127 Ų | 127 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | S | Bend | trans | -97.2 | 165 | 168 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 219 | A | 37.9 | Very low | 32.8 | Very low | 100 Ų | 100 | 124.9 Ų | 124.9 | 83% | 0.826 | 76% | 0.762 | S | S | * | * | S | Bend | trans | 65.3 | 59.6 | -168.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 220 | V | 38.2 | Very low | 33.3 | Very low | 103 Ų | 103 | 126.3 Ų | 126.3 | 62% | 0.624 | 77% | 0.767 | S | S | * | * | trans | -135 | 135.5 | -167.7 | 163.9 | 0 | 0 | 0 | 0 | 107.6 | G217 | G217-V220 WeakPolarHBondContact O-CG2 3.25Š| ||
| 221 | L | 39.8 | Very low | 32.5 | Very low | 156 Ų | 156 | 127.3 Ų | 127.3 | 82% | 0.817 | 77% | 0.771 | S | S | * | * | cis | 90.8 | 115.4 | 27.3 | -60.3 | 169.5 | 0 | 0 | 0 | 114.3 | ||||
| 222 | G | 28.7 | Very low | 32.4 | Very low | 66 Ų | 66 | 127 Ų | 127 | 68% | 0.68 | 77% | 0.77 | S | S | * | * | trans | 81.5 | 143.5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 223 | T | 31.5 | Very low | 32.1 | Very low | 136 Ų | 136 | 127.5 Ų | 127.5 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | cis | 82.6 | 109.8 | 10.1 | 79.6 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 224 | S | 34.3 | Very low | 31.9 | Very low | 113 Ų | 113 | 128.1 Ų | 128.1 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 60.8 | 124.9 | 155.3 | 62.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 225 | E | 31.4 | Very low | 31.6 | Very low | 187 Ų | 187 | 123.7 Ų | 123.7 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | -161 | -178.6 | 121 | -116 | -176 | 150.7 | 0 | 0 | 112.3 | |||||
| 226 | E | 30.9 | Very low | 31.2 | Very low | 154 Ų | 154 | 123.6 Ų | 123.6 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | -129.8 | 150.5 | -159.8 | -167.9 | -160.7 | 64.7 | 0 | 0 | 113.5 | ||||
| 227 | R | 35.8 | Very low | 31.1 | Very low | 209 Ų | 209 | 127.3 Ų | 127.3 | 79% | 0.789 | 77% | 0.77 | S | S | * | * | trans | 64.6 | 173.7 | 158.1 | -97.8 | 179.1 | 165 | 172.6 | -9.7 | 115.9 | ||||
| 228 | T | 27.7 | Very low | 31.3 | Very low | 121 Ų | 121 | 131.4 Ų | 131.4 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | cis | -142.6 | 164.2 | -2.2 | -17.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 229 | A | 32.6 | Very low | 32.5 | Very low | 79 Ų | 79 | 132.3 Ų | 132.3 | 65% | 0.653 | 78% | 0.775 | S | S | * | * | trans | -92.9 | 162.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 230 | S | 39.3 | Very low | 31.7 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -158.6 | 153.5 | 10.8 | -42 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 231 | T | 23.8 | Very low | 33.1 | Very low | 136 Ų | 136 | 132 Ų | 132 | 83% | 0.834 | 78% | 0.779 | S | S | * | * | trans | -147.3 | 135.8 | 148.6 | 50.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 232 | S | 27.3 | Very low | 32.7 | Very low | 101 Ų | 101 | 129 Ų | 129 | 71% | 0.706 | 78% | 0.777 | S | S | * | * | cis | 70.7 | 117.9 | 33.1 | -150.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 233 | T | 28.2 | Very low | 32.9 | Very low | 129 Ų | 129 | 130.5 Ų | 130.5 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | cis | -164.8 | 176.4 | 1 | 2.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 234 | L | 27.5 | Very low | 34.1 | Very low | 182 Ų | 182 | 129.3 Ų | 129.3 | 95% | 0.953 | 78% | 0.777 | S | S | * | * | trans | 74.5 | 124.4 | 165.9 | -157.1 | 76 | 0 | 0 | 0 | 115.3 | ||||
| 235 | G | 26.8 | Very low | 34 | Very low | 65 Ų | 65 | 129.5 Ų | 129.5 | 67% | 0.67 | 78% | 0.779 | S | S | * | * | cis | 173.2 | 177.4 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 236 | E | 24.7 | Very low | 34.1 | Very low | 190 Ų | 190 | 129 Ų | 129 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | 76.4 | 88.2 | 163.1 | -154.1 | 159.7 | 124.7 | 0 | 0 | 120.7 | ||||
| 237 | K | 27.1 | Very low | 34.3 | Very low | 175 Ų | 175 | 126.3 Ų | 126.3 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | 60.6 | 104.7 | 116.8 | -169.9 | -174.6 | 174.7 | -174.6 | 0 | 122.4 | |||||
| 238 | D | 36.1 | Very low | 34.1 | Very low | 148 Ų | 148 | 125.5 Ų | 125.5 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | trans | 56.7 | 179.2 | 143.7 | -71.5 | -64.3 | 0 | 0 | 0 | 119.4 | ||||
| 239 | P | 52.4 | Low | 34 | Very low | 117 Ų | 117 | 126.2 Ų | 126.2 | 76% | 0.76 | 78% | 0.783 | S | S | * | * | cis | -123.4 | -166.6 | -17 | 27.9 | -5 | 0 | 0 | 0 | 113.2 | ||||
| 240 | G | 22.5 | Very low | 33.8 | Very low | 66 Ų | 66 | 130.2 Ų | 130.2 | 68% | 0.68 | 79% | 0.788 | S | S | * | * | trans | -93 | -153.4 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 241 | P | 66 | Low | 33.4 | Very low | 131 Ų | 131 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | cis | -140.4 | 179.9 | -15.1 | 42.3 | -24.5 | 0 | 0 | 0 | 116.4 | ||||
| 242 | A | 31.6 | Very low | 33.9 | Very low | 93 Ų | 93 | 129.9 Ų | 129.9 | 77% | 0.769 | 78% | 0.779 | S | S | * | * | trans | 81.7 | 119.3 | 146.7 | 0 | 0 | 0 | 0 | 0 | 126.1 | ||||
| 243 | A | 32.8 | Very low | 33.8 | Very low | 97 Ų | 97 | 135.6 Ų | 135.6 | 80% | 0.802 | 79% | 0.785 | S | S | * | * | trans | 64.3 | -177.1 | 140.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 244 | P | 56.9 | Low | 33.8 | Very low | 112 Ų | 112 | 135.3 Ų | 135.3 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -143.2 | 171.3 | -8.9 | 43.8 | -25.7 | 0 | 0 | 0 | 119.2 | ||||
| 245 | S | 32.4 | Very low | 33.8 | Very low | 117 Ų | 117 | 131.5 Ų | 131.5 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | trans | 69.8 | 128.9 | 135.7 | -72.1 | 0 | 0 | 0 | 0 | 129 | ||||
| 246 | L | 33.9 | Very low | 33.9 | Very low | 175 Ų | 175 | 132 Ų | 132 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | 82.2 | 118.9 | 128.3 | -161.3 | 87.4 | 0 | 0 | 0 | 124.6 | |||||
| 247 | A | 33.9 | Very low | 34.1 | Very low | 99 Ų | 99 | 132.1 Ų | 132.1 | 82% | 0.818 | 78% | 0.784 | S | S | * | * | trans | -175.6 | 170.2 | 138 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 248 | K | 31.6 | Very low | 34.3 | Very low | 191 Ų | 191 | 127.9 Ų | 127.9 | 83% | 0.83 | 78% | 0.782 | S | S | * | * | trans | -85 | 178.1 | 176.5 | -52.4 | 178.4 | 178.1 | 179 | 0 | 112 | ||||
| 249 | Q | 26.7 | Very low | 33.9 | Very low | 137 Ų | 137 | 126.7 Ų | 126.7 | 64% | 0.64 | 78% | 0.784 | S | S | * | * | cis | -164.7 | 158.7 | 20.4 | -149.2 | 174.7 | -45.2 | 0 | 0 | 112 | ||||
| 250 | E | 27.3 | Very low | 33.4 | Very low | 163 Ų | 163 | 127.6 Ų | 127.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | 12.4 | 146.3 | 161.8 | 62.4 | -148.3 | 39.8 | 0 | 0 | 123.9 | ||||
| 251 | A | 32.6 | Very low | 33.6 | Very low | 86 Ų | 86 | 128.8 Ų | 128.8 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | cis | -164.1 | 162.4 | -4.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 252 | E | 33.6 | Very low | 31.6 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 47.4 | 142.6 | 160.3 | -84.9 | 171.1 | 86.6 | 0 | 0 | 121.2 | ||||
| 253 | W | 25.1 | Very low | 31.2 | Very low | 221 Ų | 221 | 128.5 Ų | 128.5 | 84% | 0.837 | 79% | 0.789 | S | S | * | * | cis | -113 | -140.2 | 15.9 | -82.3 | -59.3 | 0 | 0 | 0 | 115.1 | ||||
| 254 | T | 28.6 | Very low | 30.9 | Very low | 122 Ų | 122 | 129 Ų | 129 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -171 | 161.2 | -143.5 | 42.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 255 | A | 27.6 | Very low | 29.5 | Very low | 102 Ų | 102 | 128.7 Ų | 128.7 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | cis | -173.7 | 170.6 | -14.8 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 256 | G | 28.3 | Very low | 29.2 | Very low | 76 Ų | 76 | 132.4 Ų | 132.4 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | cis | 178.2 | 159.2 | -0.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 257 | E | 28.7 | Very low | 28.9 | Very low | 192 Ų | 192 | 127.2 Ų | 127.2 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | trans | -132.8 | 154.7 | -163.7 | -156.9 | -171 | 128.9 | 0 | 0 | 113.1 | ||||
| 258 | A | 30.8 | Very low | 28.5 | Very low | 87 Ų | 87 | 127.4 Ų | 127.4 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | trans | 61 | 132.7 | 160.8 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 259 | C | 27.6 | Very low | 28.3 | Very low | 123 Ų | 123 | 130 Ų | 130 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -90.6 | 156.2 | 154.7 | -57.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 260 | P | 42.6 | Very low | 28.3 | Very low | 135 Ų | 135 | 126.5 Ų | 126.5 | 88% | 0.877 | 78% | 0.777 | S | S | * | * | -144.7 | -169.9 | 77.4 | 35.6 | -15 | 0 | 0 | 0 | 114.5 | |||||
| 261 | A | 26 | Very low | 28.4 | Very low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | trans | -104.7 | 165 | -165.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 262 | S | 24.5 | Very low | 28.1 | Very low | 111 Ų | 111 | 131.5 Ų | 131.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | -179 | 145.9 | 123.6 | -81.2 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 263 | S | 24.4 | Very low | 27.9 | Very low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 79% | 0.785 | S | S | * | * | trans | 56.7 | 118.3 | 147.5 | 62.7 | 0 | 0 | 0 | 0 | 124 | ||||
| 264 | S | 26.6 | Very low | 29.2 | Very low | 107 Ų | 107 | 122.9 Ų | 122.9 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | 67.8 | 147 | 127.1 | -147 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 265 | T | 26.8 | Very low | 29.1 | Very low | 105 Ų | 105 | 124.1 Ų | 124.1 | 64% | 0.644 | 78% | 0.781 | S | S | * | * | cis | -162.6 | 148.3 | 30 | -42 | 0 | 0 | 0 | 0 | 113 | ||||
| 266 | Q | 26.6 | Very low | 29.1 | Very low | 195 Ų | 195 | 125.7 Ų | 125.7 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | trans | 59 | 146.4 | 162.4 | -83.5 | 167 | -100.4 | 0 | 0 | 120.4 | ||||
| 267 | G | 26.3 | Very low | 29.3 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | cis | 170.3 | 176.5 | -6.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 268 | A | 26.5 | Very low | 29.1 | Very low | 103 Ų | 103 | 128.8 Ų | 128.8 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | 73 | 144.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 269 | R | 26.3 | Very low | 29 | Very low | 244 Ų | 244 | 129.4 Ų | 129.4 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | cis | -154.4 | 163 | 0.9 | -134.3 | -178 | 175.2 | -172.9 | -2.1 | 106.9 | ||||
| 270 | A | 27.6 | Very low | 29.1 | Very low | 65 Ų | 65 | 133 Ų | 133 | 54% | 0.537 | 78% | 0.778 | S | S | . | * | cis | -163.9 | 165.6 | 16.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 271 | Q | 28.8 | Very low | 28.3 | Very low | 168 Ų | 168 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.777 | S | S | * | * | trans | 61.6 | 107.9 | 154.5 | -68.1 | 163.6 | 85.3 | 0 | 0 | 118.3 | ||||
| 272 | Q | 26.2 | Very low | 28.3 | Very low | 185 Ų | 185 | 130 Ų | 130 | 86% | 0.864 | 78% | 0.781 | S | S | * | * | 77 | 141.3 | 73 | -77.4 | -176.9 | -44 | 0 | 0 | 114.6 | |||||
| 273 | A | 31 | Very low | 28.6 | Very low | 85 Ų | 85 | 132 Ų | 132 | 70% | 0.702 | 78% | 0.783 | S | S | * | * | cis | 179.2 | -175.4 | -14.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 274 | P | 51.1 | Low | 29.6 | Very low | 109 Ų | 109 | 132 Ų | 132 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | cis | -133.2 | 162.8 | -26.8 | 28 | -6.2 | 0 | 0 | 0 | 116.7 | ||||
| 275 | N | 26.4 | Very low | 29.6 | Very low | 149 Ų | 149 | 129.9 Ų | 129.9 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | 34.2 | 133.2 | 140.6 | -51.8 | -10.3 | 0 | 0 | 0 | 125 | ||||
| 276 | T | 28.7 | Very low | 29.5 | Very low | 134 Ų | 134 | 131 Ų | 131 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | 149.4 | 158.5 | 129.9 | 42.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 277 | E | 31.1 | Very low | 29.4 | Very low | 169 Ų | 169 | 125.2 Ų | 125.2 | 79% | 0.79 | 78% | 0.78 | S | S | * | * | cis | -164.2 | 157.4 | -39.5 | -159 | -177.7 | 124.1 | 0 | 0 | 109.4 | ||||
| 278 | M | 25.5 | Very low | 29.7 | Very low | 165 Ų | 165 | 130.3 Ų | 130.3 | 81% | 0.813 | 79% | 0.79 | S | S | * | * | trans | 67.1 | -178.9 | 158 | -146.5 | 48.9 | 172.9 | 0 | 0 | 119.1 | ||||
| 279 | C | 29.1 | Very low | 29.7 | Very low | 99 Ų | 99 | 137.2 Ų | 137.2 | 67% | 0.669 | 79% | 0.794 | S | S | * | * | trans | -121.2 | 170 | -151.6 | -51.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 280 | Q | 28.6 | Very low | 30.5 | Very low | 198 Ų | 198 | 131.1 Ų | 131.1 | 93% | 0.925 | 79% | 0.786 | S | S | * | * | trans | 72.3 | 131.3 | 154.9 | -68.4 | 178.6 | -4.6 | 0 | 0 | 120.5 | ||||
| 281 | G | 27.3 | Very low | 30.6 | Very low | 83 Ų | 83 | 138.9 Ų | 138.9 | 86% | 0.856 | 80% | 0.802 | S | S | * | * | trans | 111.8 | 132.5 | 137.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 282 | G | 26.2 | Very low | 30.6 | Very low | 80 Ų | 80 | 135.2 Ų | 135.2 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | 104.9 | 109.7 | 151 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 283 | D | 29.3 | Very low | 30.8 | Very low | 154 Ų | 154 | 133 Ų | 133 | 82% | 0.824 | 79% | 0.79 | S | S | * | * | trans | -56.2 | 161.2 | 144.6 | -151.8 | 44.9 | 0 | 0 | 0 | 109.5 | ||||
| 284 | P | 45.3 | Very low | 30.9 | Very low | 108 Ų | 108 | 136.1 Ų | 136.1 | 70% | 0.701 | 79% | 0.787 | S | S | * | * | cis | -147.8 | 170.7 | 28.7 | 44.8 | -24.9 | 0 | 0 | 0 | 119.8 | ||||
| 285 | G | 26.9 | Very low | 30 | Very low | 62 Ų | 62 | 139.2 Ų | 139.2 | 64% | 0.639 | 79% | 0.793 | S | S | * | * | 74.6 | 126.2 | 116.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 286 | S | 25.6 | Very low | 30.2 | Very low | 130 Ų | 130 | 139 Ų | 139 | 91% | 0.909 | 79% | 0.792 | S | S | * | * | trans | 53.5 | 96 | 144.3 | -64.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 287 | G | 24.6 | Very low | 30.2 | Very low | 72 Ų | 72 | 138.6 Ų | 138.6 | 74% | 0.742 | 79% | 0.789 | S | S | * | * | 99.1 | 159.1 | 99.2 | 0 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 288 | L | 32 | Very low | 30.2 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 92% | 0.916 | 78% | 0.784 | S | S | * | * | trans | 66.5 | 120 | 166.9 | -50.7 | -178.6 | 0 | 0 | 0 | 118.3 | ||||
| 289 | R | 25.3 | Very low | 30.3 | Very low | 247 Ų | 247 | 134.8 Ų | 134.8 | 93% | 0.932 | 78% | 0.783 | S | S | * | * | trans | -122.4 | 140.1 | 161.2 | -71.3 | -74.1 | -104.4 | -155.4 | -6.5 | 108.8 | ||||
| 290 | P | 43.8 | Very low | 30.3 | Very low | 116 Ų | 116 | 137.4 Ų | 137.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | -122.1 | 154.6 | -157.7 | 41.9 | -30.2 | 0 | 0 | 0 | 116.9 | ||||
| 291 | R | 29.7 | Very low | 30.1 | Very low | 229 Ų | 229 | 131.2 Ų | 131.2 | 86% | 0.864 | 78% | 0.779 | S | S | * | * | 46.7 | 123.3 | 129.5 | -165.9 | -174 | -169.1 | -155 | 3 | 121.2 | |||||
| 292 | A | 29.9 | Very low | 30.1 | Very low | 91 Ų | 91 | 133 Ų | 133 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -153.9 | 146.8 | 141.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 293 | E | 29.5 | Very low | 30.1 | Very low | 139 Ų | 139 | 137.4 Ų | 137.4 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | -160.2 | 156.7 | -18.5 | -100.9 | -156 | 126.4 | 0 | 0 | 108.1 | ||||
| 294 | K | 33.6 | Very low | 29.9 | Very low | 149 Ų | 149 | 137.4 Ų | 137.4 | 65% | 0.648 | 77% | 0.771 | S | S | * | * | trans | 47.4 | 120.3 | 159.7 | -61.5 | 147.1 | -171 | 154 | 0 | 119.1 | ||||
| 295 | E | 32.3 | Very low | 29 | Very low | 175 Ų | 175 | 138.3 Ų | 138.3 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | cis | 77 | 103.3 | 46.1 | -167.2 | 176.2 | 180 | 0 | 0 | 114.9 | ||||
| 296 | D | 29.4 | Very low | 29.3 | Very low | 145 Ų | 145 | 142.5 Ų | 142.5 | 78% | 0.775 | 78% | 0.782 | S | S | * | * | -160.8 | 165.8 | 129.9 | -137.7 | -45.2 | 0 | 0 | 0 | 112.5 | |||||
| 297 | T | 30.2 | Very low | 29.4 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 77% | 0.767 | 78% | 0.775 | S | S | * | * | trans | -44.5 | 165.3 | -179 | 44.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 298 | A | 29.4 | Very low | 29.7 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | cis | -166.7 | 164.6 | -11.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 299 | E | 28.9 | Very low | 29.7 | Very low | 169 Ų | 169 | 142.4 Ų | 142.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | 47 | 126.5 | 148.9 | -71.3 | -165.6 | 121.6 | 0 | 0 | 125.4 | ||||
| 300 | L | 29.6 | Very low | 30.4 | Very low | 155 Ų | 155 | 137.6 Ų | 137.6 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | trans | 59.6 | 114.1 | 132.6 | -59 | 172.3 | 0 | 0 | 0 | 122.4 | ||||
| 301 | G | 24.5 | Very low | 30 | Very low | 67 Ų | 67 | 141.1 Ų | 141.1 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | 116.2 | 98.6 | 105.6 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 302 | V | 27 | Very low | 30.1 | Very low | 121 Ų | 121 | 132.9 Ų | 132.9 | 73% | 0.733 | 75% | 0.752 | S | S | * | * | trans | 62.5 | 135.6 | 139.2 | -131.7 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 303 | H | 24.9 | Very low | 30.8 | Very low | 172 Ų | 172 | 140.2 Ų | 140.2 | 80% | 0.796 | 76% | 0.76 | S | S | * | * | trans | 66 | 148.2 | 167.7 | -52.6 | -67.7 | 0 | 0 | 0 | 115.6 | ||||
| 304 | L | 25.6 | Very low | 30.8 | Very low | 154 Ų | 154 | 140.7 Ų | 140.7 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | cis | -178.6 | 145.7 | 45.6 | -174.2 | 57.7 | 0 | 0 | 0 | 111.8 | ||||
| 305 | V | 26.9 | Very low | 31.4 | Very low | 127 Ų | 127 | 138.5 Ų | 138.5 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | 72.7 | 140.9 | 152.8 | 158.2 | 0 | 0 | 0 | 0 | 122 | ||||
| 306 | N | 32.5 | Very low | 32 | Very low | 150 Ų | 150 | 137.5 Ų | 137.5 | 80% | 0.802 | 77% | 0.771 | S | S | * | * | trans | -93.6 | -171.3 | 172.5 | -68.4 | -29.7 | 0 | 0 | 0 | 111.9 | ||||
| 307 | S | 27.8 | Very low | 32.6 | Very low | 109 Ų | 109 | 137.9 Ų | 137.9 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | trans | 79.2 | 165.5 | 158.3 | -129.5 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 308 | L | 31.4 | Very low | 33 | Very low | 149 Ų | 149 | 136.8 Ų | 136.8 | 78% | 0.78 | 77% | 0.769 | S | S | * | * | cis | -155 | 179.9 | 9.6 | -175.8 | 50.4 | 0 | 0 | 0 | 110.4 | ||||
| 309 | V | 31.3 | Very low | 33.5 | Very low | 118 Ų | 118 | 138.6 Ų | 138.6 | 72% | 0.715 | 77% | 0.767 | S | S | * | * | trans | 107.3 | 89.2 | 154 | -170.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 310 | D | 40.6 | Very low | 34 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 76% | 0.762 | S | S | * | * | trans | -58.4 | 152.9 | 147.5 | -96.8 | -75 | 0 | 0 | 0 | 112.9 | ||||
| 311 | H | 35.3 | Very low | 34.1 | Very low | 191 Ų | 191 | 136.2 Ų | 136.2 | 88% | 0.884 | 76% | 0.755 | S | S | * | * | trans | 167.9 | 133.2 | 140.7 | -79 | -19.1 | 0 | 0 | 0 | 107.5 | ||||
| 312 | G | 32.3 | Very low | 34.9 | Very low | 55 Ų | 55 | 139.7 Ų | 139.7 | 57% | 0.567 | 75% | 0.753 | S | S | * | * | cis | 139.7 | 158.2 | 5.9 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 313 | R | 43.5 | Very low | 35.5 | Very low | 246 Ų | 246 | 142 Ų | 142 | 93% | 0.928 | 76% | 0.756 | S | S | * | * | trans | 86 | 143.8 | -169.8 | -51.9 | 147.8 | -168.6 | -102 | -0.9 | 112.9 | ||||
| 314 | N | 30.1 | Very low | 36.4 | Very low | 149 Ų | 149 | 142.2 Ų | 142.2 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | cis | -158.7 | 171 | -11.7 | 51 | -56.6 | 0 | 0 | 0 | 110.2 | ||||
| 315 | S | 45.4 | Very low | 37 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | -134.7 | 145.1 | 179.4 | -51.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 316 | D | 45.1 | Very low | 37.5 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 82% | 0.824 | 76% | 0.761 | S | S | * | * | trans | -159.2 | 131.5 | 149.3 | -83.2 | -41.4 | 0 | 0 | 0 | 103.6 | ||||
| 317 | L | 42 | Very low | 37.7 | Very low | 153 Ų | 153 | 146.7 Ų | 146.7 | 80% | 0.801 | 76% | 0.761 | S | S | * | * | cis | 79.3 | 147.4 | 32 | -58.5 | -175.6 | 0 | 0 | 0 | 115.3 | ||||
| 318 | S | 38.7 | Very low | 37.8 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | trans | 69.5 | 140.3 | -177.1 | -67.2 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 319 | D | 40.9 | Very low | 37.6 | Very low | 122 Ų | 122 | 151.2 Ų | 151.2 | 65% | 0.652 | 77% | 0.766 | S | S | * | * | cis | -170.5 | 156.6 | -16.1 | -106.3 | -32.3 | 0 | 0 | 0 | 109.4 | ||||
| 320 | I | 39.6 | Very low | 37.5 | Very low | 132 Ų | 132 | 153.4 Ų | 153.4 | 68% | 0.677 | 77% | 0.769 | S | S | * | * | trans | 47.6 | 124 | 132.1 | -59.4 | 170.6 | 0 | 0 | 0 | 117 | ||||
| 321 | Q | 30.4 | Very low | 36.9 | Very low | 143 Ų | 143 | 154.4 Ų | 154.4 | 67% | 0.668 | 77% | 0.768 | S | S | * | * | cis | -169 | -174.9 | 42.4 | -139.2 | 158.7 | -23.5 | 0 | 0 | 114.4 | ||||
| 322 | E | 40.9 | Very low | 36.7 | Very low | 140 Ų | 140 | 154.1 Ų | 154.1 | 65% | 0.654 | 77% | 0.767 | S | S | * | * | trans | 4.7 | 150.1 | 140.1 | -74.8 | 138.7 | -135.1 | 0 | 0 | 118.5 | ||||
| 323 | E | 40.3 | Very low | 36.5 | Very low | 169 Ų | 169 | 160.1 Ų | 160.1 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -161.6 | 173.7 | 20.2 | -106.1 | 152.5 | 167.3 | 0 | 0 | 105.7 | ||||
| 324 | E | 44.7 | Very low | 35.9 | Very low | 176 Ų | 176 | 156.8 Ų | 156.8 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | cis | -110.2 | -168.8 | -2.1 | -73.8 | 125.7 | 137.4 | 0 | 0 | 110 | ||||
| 325 | E | 37.8 | Very low | 35.8 | Very low | 179 Ų | 179 | 156.8 Ų | 156.8 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | cis | 72.2 | 129.1 | 23.7 | -77.8 | 172.1 | -164.2 | 0 | 0 | 114.2 | ||||
| 326 | E | 37.1 | Very low | 34.9 | Very low | 173 Ų | 173 | 155.3 Ų | 155.3 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | cis | -142.9 | -178.4 | 4.9 | -78.3 | 155.5 | 151.3 | 0 | 0 | 108 | ||||
| 327 | E | 35.8 | Very low | 34.2 | Very low | 174 Ų | 174 | 152.1 Ų | 152.1 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | cis | -133.9 | 153.8 | 13.3 | -66.1 | 170.4 | 137.5 | 0 | 0 | 111.5 | ||||
| 328 | E | 30.2 | Very low | 33.4 | Very low | 167 Ų | 167 | 152.3 Ų | 152.3 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | -17.5 | 148.7 | 163.2 | -63.4 | 145.3 | 175 | 0 | 0 | 118.6 | ||||
| 329 | E | 28.6 | Very low | 32.8 | Very low | 185 Ų | 185 | 152.2 Ų | 152.2 | 86% | 0.864 | 75% | 0.75 | S | S | * | * | cis | 64.6 | 161.1 | 43.3 | -67.1 | -154.2 | 173 | 0 | 0 | 115.4 | ||||
| 330 | E | 29.5 | Very low | 32 | Very low | 165 Ų | 165 | 151.9 Ų | 151.9 | 77% | 0.771 | 76% | 0.757 | S | S | * | * | trans | 68 | 142.8 | -175.6 | -60.7 | -179.8 | 171.6 | 0 | 0 | 115.4 | ||||
| 331 | E | 27.5 | Very low | 31.5 | Very low | 165 Ų | 165 | 151 Ų | 151 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | cis | -149.4 | 147.9 | 8.9 | -139.3 | 168.2 | -167.6 | 0 | 0 | 111.2 | ||||
| 332 | E | 30.3 | Very low | 31.3 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -109.1 | 148.8 | 156.3 | -81.9 | -165.8 | 141.4 | 0 | 0 | 108.7 | ||||
| 333 | E | 29.4 | Very low | 31 | Very low | 181 Ų | 181 | 154 Ų | 154 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 79 | 141.8 | 170 | -52 | -153.3 | 121.6 | 0 | 0 | 120.9 | ||||
| 334 | E | 29.3 | Very low | 30.5 | Very low | 176 Ų | 176 | 155.3 Ų | 155.3 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 80.5 | 157.1 | 153.4 | -120.3 | -163.7 | 143.8 | 0 | 0 | 123.1 | ||||
| 335 | L | 28.4 | Very low | 29.9 | Very low | 150 Ų | 150 | 155 Ų | 155 | 79% | 0.785 | 78% | 0.775 | S | S | * | * | trans | 64.3 | 86.6 | 166.5 | -53.2 | -174.7 | 0 | 0 | 0 | 120.7 | ||||
| 336 | G | 26.2 | Very low | 29.5 | Very low | 70 Ų | 70 | 152.9 Ų | 152.9 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 85.8 | 107.6 | 108.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 337 | S | 29.9 | Very low | 29.2 | Very low | 87 Ų | 87 | 149.1 Ų | 149.1 | 61% | 0.608 | 77% | 0.773 | S | S | * | * | trans | 30.9 | 110 | 136 | -60.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 338 | R | 26.3 | Very low | 28.9 | Very low | 158 Ų | 158 | 144 Ų | 144 | 60% | 0.596 | 77% | 0.766 | S | S | * | * | 176.1 | 132.7 | 117.4 | -92.8 | 150.7 | -173.9 | -161.3 | -0.4 | 117.2 | F363 | R338-F363 HydrophobicContact CB-CE1 4.48Å; R338-F363 VanDerWaalsContact CD-CE1 3.43Å; R338-F363 HydrophobicContact CG-CD1 3.69Å; R338-F363 HydrophobicContact CG-CE1 3.62Å; R338-F363 VanDerWaalsContact CZ-CG 3.46Å | |||
| 339 | T | 26.9 | Very low | 29 | Very low | 99 Ų | 99 | 144.2 Ų | 144.2 | 61% | 0.607 | 77% | 0.773 | S | S | * | * | trans | 55.8 | 106.7 | 142.2 | 61.3 | 0 | 0 | 0 | 0 | 122.7 | F363 | T339-F363 HydrophobicContact CG2-CD1 4.45Å; T339-F363 HydrophobicContact CG2-CE1 4.11Å | ||
| 340 | C | 24.1 | Very low | 29.1 | Very low | 116 Ų | 116 | 140.8 Ų | 140.8 | 78% | 0.784 | 77% | 0.77 | S | S | * | * | 54.4 | 110.6 | 117.7 | -56.8 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 341 | S | 27.5 | Very low | 29.1 | Very low | 113 Ų | 113 | 140 Ų | 140 | 79% | 0.79 | 77% | 0.769 | S | S | * | * | 95 | 124.2 | 118.9 | 78.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 342 | F | 27 | Very low | 29.3 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 80% | 0.803 | 77% | 0.771 | S | S | * | * | trans | 66.5 | 105.2 | 137.3 | -108.7 | -105 | 0 | 0 | 0 | 123.4 | ||||
| 343 | Q | 34.2 | Very low | 29.4 | Very low | 164 Ų | 164 | 139.2 Ų | 139.2 | 77% | 0.766 | 76% | 0.756 | S | S | * | * | 27.9 | 119.9 | 126.4 | -172.6 | -167.7 | 49.3 | 0 | 0 | 119.6 | |||||
| 344 | K | 30.3 | Very low | 29.5 | Very low | 195 Ų | 195 | 137.5 Ų | 137.5 | 85% | 0.848 | 75% | 0.753 | S | S | * | * | trans | -152.5 | 137 | 140.3 | -167.7 | 155.7 | -173.9 | 171.4 | 0 | 114.9 | ||||
| 345 | Q | 32 | Very low | 29.5 | Very low | 169 Ų | 169 | 132.8 Ų | 132.8 | 79% | 0.79 | 75% | 0.751 | S | S | * | * | trans | -98.1 | 139.8 | 161.3 | -73.4 | -176.9 | -10.5 | 0 | 0 | 111.7 | ||||
| 346 | V | 29.6 | Very low | 29.7 | Very low | 136 Ų | 136 | 130 Ų | 130 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | trans | 30 | 125.8 | 137.4 | -175.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 347 | A | 30.7 | Very low | 29.9 | Very low | 94 Ų | 94 | 136.4 Ų | 136.4 | 78% | 0.777 | 76% | 0.758 | S | S | * | * | trans | 67.5 | 156.6 | 155 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 348 | G | 30.1 | Very low | 29.9 | Very low | 65 Ų | 65 | 137.7 Ų | 137.7 | 67% | 0.67 | 77% | 0.767 | S | S | * | * | cis | 165.8 | 41.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 349 | N | 32.4 | Very low | 30 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -147.8 | 166.7 | 173 | -5.2 | 69.9 | 0 | 0 | 0 | 111.5 | ||||
| 350 | S | 28.9 | Very low | 30.7 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -135.8 | 146.7 | -165.2 | 174.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 351 | I | 30.5 | Very low | 31.2 | Very low | 148 Ų | 148 | 141.4 Ų | 141.4 | 76% | 0.759 | 79% | 0.787 | S | S | * | * | trans | 169.3 | 124.7 | 132.6 | -90.1 | 158.3 | 0 | 0 | 0 | 111.8 | ||||
| 352 | R | 31.5 | Very low | 32 | Very low | 215 Ų | 215 | 141.5 Ų | 141.5 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | 54.3 | 152 | 153.8 | -76 | -178 | -179.5 | -120.7 | 5 | 119.8 | ||||
| 353 | E | 32.9 | Very low | 32.1 | Very low | 118 Ų | 118 | 138.2 Ų | 138.2 | 55% | 0.551 | 77% | 0.77 | S | S | * | * | cis | -161.7 | 146.6 | -9 | -136.9 | 177.8 | 102.6 | 0 | 0 | 109.3 | ||||
| 354 | N | 30.4 | Very low | 32.1 | Very low | 145 Ų | 145 | 133.7 Ų | 133.7 | 78% | 0.775 | 76% | 0.756 | S | S | * | * | trans | 57.1 | 134.1 | 164.4 | -46.1 | -46.6 | 0 | 0 | 0 | 116.8 | ||||
| 355 | G | 30.4 | Very low | 32.1 | Very low | 77 Ų | 77 | 133.5 Ų | 133.5 | 79% | 0.794 | 76% | 0.759 | S | S | * | * | cis | 123.3 | 139.6 | 23.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 356 | A | 32.3 | Very low | 32.9 | Very low | 91 Ų | 91 | 131.1 Ų | 131.1 | 75% | 0.752 | 76% | 0.756 | S | S | * | * | cis | -167.7 | 167 | -1.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 357 | K | 30.3 | Very low | 33.2 | Very low | 205 Ų | 205 | 131.4 Ų | 131.4 | 89% | 0.891 | 75% | 0.753 | S | S | * | * | trans | 72.4 | 150 | 166.7 | -58.9 | 173.7 | -179.4 | 178.8 | 0 | 116.2 | ||||
| 358 | S | 29.2 | Very low | 33.7 | Very low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 73% | 0.734 | S | S | * | * | cis | -156.4 | 164.8 | -1.3 | 25.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 359 | Q | 28.6 | Very low | 34.5 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 87% | 0.874 | 74% | 0.735 | S | S | * | * | trans | -93.8 | -174.1 | 173.4 | -65.8 | -149.3 | -67.2 | 0 | 0 | 112.7 | ||||
| 360 | P | 41 | Very low | 35.5 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 71% | 0.708 | 72% | 0.72 | S | S | * | * | cis | -130.7 | 175.4 | -13.3 | 24.7 | -1.7 | 0 | 0 | 0 | 115.4 | ||||
| 361 | D | 35.1 | Very low | 36.7 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 83% | 0.829 | 71% | 0.71 | S | S | * | * | trans | -91.3 | 162.6 | 163.1 | -56.5 | -71.9 | 0 | 0 | 0 | 112.8 | ||||
| 362 | P | 44.4 | Very low | 37.8 | Very low | 114 Ų | 114 | 129.3 Ų | 129.3 | 74% | 0.74 | 70% | 0.701 | S | S | * | * | trans | -144.6 | 113 | 135 | 33.7 | -16 | 0 | 0 | 0 | 115.6 | ||||
| 363 | F | 29.4 | Very low | 38.9 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 50% | 0.5 | 69% | 0.69 | S | S | . | * | trans | 51 | 124.9 | 141.4 | -57.7 | -61.7 | 0 | 0 | 0 | 124.5 | R338 T339 | R338-F363 HydrophobicContact CB-CE1 4.48Å; R338-F363 VanDerWaalsContact CD-CE1 3.43Å; R338-F363 HydrophobicContact CG-CD1 3.69Å; R338-F363 HydrophobicContact CG-CE1 3.62Å; R338-F363 VanDerWaalsContact CZ-CG 3.46Å; T339-F363 HydrophobicContact CG2-CD1 4.45Å; T339-F363 HydrophobicContact CG2-CE1 4.11Å | ||
| 364 | C | 34.2 | Very low | 40.1 | Very low | 70 Ų | 70 | 125.5 Ų | 125.5 | 47% | 0.473 | 70% | 0.695 | S | S | . | * | 41.8 | 122.8 | 126 | -54.8 | 0 | 0 | 0 | 0 | 121.3 | |||||
| 365 | E | 31 | Very low | 40.9 | Very low | 191 Ų | 191 | 124.7 Ų | 124.7 | 89% | 0.893 | 69% | 0.687 | S | S | * | * | trans | -146.2 | 177 | 133.1 | -126.4 | 138.7 | -134.4 | 0 | 0 | 109.2 | ||||
| 366 | T | 47.7 | Very low | 42.2 | Very low | 119 Ų | 119 | 127.2 Ų | 127.2 | 73% | 0.73 | 68% | 0.681 | S | S | * | * | trans | -127.9 | 106.8 | -171.3 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 367 | D | 37.2 | Very low | 42.8 | Very low | 142 Ų | 142 | 130 Ų | 130 | 76% | 0.759 | 68% | 0.682 | S | S | * | * | trans | -106.2 | 112.1 | 167.3 | -52.5 | -63.5 | 0 | 0 | 0 | 106.6 | ||||
| 368 | S | 41.2 | Very low | 44.1 | Very low | 56 Ų | 56 | 127.7 Ų | 127.7 | 39% | 0.392 | 68% | 0.675 | S | S | . | * | 80.3 | 117.2 | 60.2 | -157.5 | 0 | 0 | 0 | 0 | 111.9 | E370 | S368-E370 WeakPolarHBondContact CB-OE1 3.3Å; S368-E370 PolarHBondContact O-N 2.87Å; S368-E370 VanDerWaalsContact OG-CD 3.27Å; S368-E370 PolarHBondContact OG-OE1 2.68Å | |||
| 369 | D | 45.2 | Very low | 44.6 | Very low | 129 Ų | 129 | 129.6 Ų | 129.6 | 69% | 0.69 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.2 | -2.7 | -169.2 | 45.6 | -58.1 | 0 | 0 | 0 | 114.6 | ||
| 370 | E | 54 | Low | 45 | Very low | 128 Ų | 128 | 126.1 Ų | 126.1 | 60% | 0.598 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -67.3 | -38.7 | 172.8 | 60.2 | -151.7 | 150.3 | 0 | 0 | 113.6 | S368 I372 L373 E374 | S368-E370 WeakPolarHBondContact CB-OE1 3.3Å; S368-E370 PolarHBondContact O-N 2.87Å; S368-E370 VanDerWaalsContact OG-CD 3.27Å; S368-E370 PolarHBondContact OG-OE1 2.68Å; E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.88Å; E370-L373 PolarHBondContact O-N 2.96Å; E370-E374 PolarHBondContact O-N 3.38Å; E370-E374 VanDerWaalsContact O-N 3.14Å |
| 371 | E | 53.9 | Low | 44.8 | Very low | 125 Ų | 125 | 128.5 Ų | 128.5 | 58% | 0.584 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -62.7 | -35.5 | 179.1 | -169.7 | -176.2 | -146.6 | 0 | 0 | 111.8 | L373 E374 Q375 | E371-L373 VanDerWaalsContact C-N 3.35Å; E371-L373 PolarHBondContact O-N 3.39Å; E371-E374 PolarHBondContact O-N 2.86Å; E371-Q375 WeakPolarHBondContact O-CB 3.25Å; E371-Q375 PolarHBondContact O-N 3.28Å |
| 372 | I | 54.7 | Low | 44.8 | Very low | 111 Ų | 111 | 130.1 Ų | 130.1 | 57% | 0.569 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -67.9 | -36.3 | -179.9 | -64.1 | 176.7 | 0 | 0 | 0 | 111.2 | E370 Q375 I376 | E370-I372 VanDerWaalsContact C-N 3.29Å; E370-I372 PolarHBondContact O-N 2.88Å; I372-Q375 PolarHBondContact O-N 3.16Å; I372-I376 HydrophobicContact CG2-CD1 4.06Å; I372-I376 VanDerWaalsContact O-CG1 3.3Å; I372-I376 WeakPolarHBondContact O-CG1 3.48Å; I372-I376 PolarHBondContact O-N 3.03Å; I372-I376 VanDerWaalsContact O-N 3.08Å |
| 373 | L | 54.2 | Low | 44.6 | Very low | 112 Ų | 112 | 132.4 Ų | 132.4 | 59% | 0.586 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.1 | -39.6 | 177.1 | -67.6 | 174.1 | 0 | 0 | 0 | 111.5 | E370 E371 I376 L377 | E370-L373 PolarHBondContact O-N 2.96Å; E371-L373 VanDerWaalsContact C-N 3.35Å; E371-L373 PolarHBondContact O-N 3.39Å; L373-I376 PolarHBondContact O-N 3.01Å; L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 3.02Å |
| 374 | E | 58.2 | Low | 44.9 | Very low | 141 Ų | 141 | 136.5 Ų | 136.5 | 66% | 0.659 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -65.3 | -39.8 | 172.6 | -65.5 | -167 | 171 | 0 | 0 | 111.6 | E370 E371 I376 L377 E378 | E370-E374 PolarHBondContact O-N 3.38Å; E370-E374 VanDerWaalsContact O-N 3.14Å; E371-E374 PolarHBondContact O-N 2.86Å; E374-I376 VanDerWaalsContact C-N 3.32Å; E374-I376 PolarHBondContact O-N 3.29Å; E374-L377 PolarHBondContact O-N 3.12Å; E374-L377 VanDerWaalsContact O-N 3.08Å; E374-E378 PolarHBondContact O-N 2.89Å |
| 375 | Q | 46.8 | Very low | 45 | Very low | 128 Ų | 128 | 139 Ų | 139 | 60% | 0.598 | 71% | 0.712 | S | S | * | * | H | α-helix | trans | -69.4 | -24.4 | 177.9 | -150.3 | 89.6 | 129 | 0 | 0 | 114.1 | E371 I372 | E371-Q375 WeakPolarHBondContact O-CB 3.25Å; E371-Q375 PolarHBondContact O-N 3.28Å; I372-Q375 PolarHBondContact O-N 3.16Å |
| 376 | I | 56.5 | Low | 45.2 | Very low | 130 Ų | 130 | 135.6 Ų | 135.6 | 67% | 0.667 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -76.2 | -26.7 | 171.3 | -72.1 | 166.7 | 0 | 0 | 0 | 111.4 | I372 L373 E374 | I372-I376 HydrophobicContact CG2-CD1 4.06Å; I372-I376 VanDerWaalsContact O-CG1 3.3Å; I372-I376 WeakPolarHBondContact O-CG1 3.48Å; I372-I376 PolarHBondContact O-N 3.03Å; I372-I376 VanDerWaalsContact O-N 3.08Å; L373-I376 PolarHBondContact O-N 3.01Å; E374-I376 VanDerWaalsContact C-N 3.32Å; E374-I376 PolarHBondContact O-N 3.29Å |
| 377 | L | 45.9 | Very low | 44.9 | Very low | 150 Ų | 150 | 138.9 Ų | 138.9 | 79% | 0.785 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -87.1 | -25.3 | 178.1 | -68.7 | 170.6 | 0 | 0 | 0 | 113.4 | L373 E374 L379 | L373-L377 WeakPolarHBondContact O-CG 3.46Å; L373-L377 PolarHBondContact O-N 3.02Å; E374-L377 PolarHBondContact O-N 3.12Å; E374-L377 VanDerWaalsContact O-N 3.08Å; L377-L379 PolarHBondContact O-N 2.8Å |
| 378 | E | 56.9 | Low | 44.8 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 73% | 0.729 | 72% | 0.716 | S | S | * | * | trans | -95.5 | 81.8 | -178.9 | -170.4 | 152.9 | -140.1 | 0 | 0 | 114.6 | E374 | E374-E378 PolarHBondContact O-N 2.89Š| ||
| 379 | L | 39.4 | Very low | 45 | Very low | 154 Ų | 154 | 143.6 Ų | 143.6 | 81% | 0.806 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -128.4 | 149.7 | 153.9 | -82.7 | -179.2 | 0 | 0 | 0 | 111.2 | L377 | L377-L379 PolarHBondContact O-N 2.8Š|
| 380 | P | 38.6 | Very low | 44.4 | Very low | 115 Ų | 115 | 146 Ų | 146 | 75% | 0.747 | 73% | 0.73 | S | S | * | * | trans | -79 | 132.7 | -146.7 | 27.2 | -36.2 | 0 | 0 | 0 | 115.6 | Q382 | P380-Q382 PolarHBondContact O-N 2.82Å; P380-Q382 VanDerWaalsContact O-N 3.11Å | ||
| 381 | L | 37 | Very low | 43.3 | Very low | 159 Ų | 159 | 144.1 Ų | 144.1 | 83% | 0.832 | 73% | 0.732 | S | S | * | * | trans | -56.9 | 109.8 | 165 | -71.2 | 171.1 | 0 | 0 | 0 | 111.3 | Q383 | L381-Q383 VanDerWaalsContact C-N 3.28Å; L381-Q383 PolarHBondContact O-N 3.19Å | ||
| 382 | Q | 35.1 | Very low | 42 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | trans | -75.3 | 77.1 | 176.2 | -165.7 | 174.8 | 28.3 | 0 | 0 | 111.8 | P380 F384 | P380-Q382 PolarHBondContact O-N 2.82Å; P380-Q382 VanDerWaalsContact O-N 3.11Å; Q382-F384 PolarHBondContact O-N 2.79Å | ||
| 383 | Q | 38.5 | Very low | 41.2 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 76% | 0.762 | 75% | 0.745 | S | S | * | * | trans | -65.1 | 101.8 | 175.2 | -73.1 | -168.9 | -7.6 | 0 | 0 | 112.5 | L381 | L381-Q383 VanDerWaalsContact C-N 3.28Å; L381-Q383 PolarHBondContact O-N 3.19Å | ||
| 384 | F | 36.3 | Very low | 40.3 | Very low | 200 Ų | 200 | 149 Ų | 149 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -140.9 | 47.1 | 152.4 | -85.5 | -61.4 | 0 | 0 | 0 | 113.2 | Q382 S386 | Q382-F384 PolarHBondContact O-N 2.79Å; F384-S386 PolarHBondContact O-N 3.1Å | ||
| 385 | C | 37.5 | Very low | 39 | Very low | 121 Ų | 121 | 150.6 Ų | 150.6 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | trans | -81.6 | 99.2 | 163.9 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | K387 | C385-K387 PolarHBondContact O-N 3.31Š| ||
| 386 | S | 33.5 | Very low | 38.6 | Very low | 121 Ų | 121 | 153.6 Ų | 153.6 | 85% | 0.846 | 78% | 0.782 | S | S | * | * | trans | -73.5 | 95.5 | 176.7 | 58.1 | 0 | 0 | 0 | 0 | 112 | F384 | F384-S386 PolarHBondContact O-N 3.1Š| ||
| 387 | K | 41.5 | Very low | 37.4 | Very low | 188 Ų | 188 | 156.4 Ų | 156.4 | 82% | 0.817 | 79% | 0.792 | S | S | * | * | trans | -68.8 | 132.4 | 174.5 | -62.4 | -176.3 | 179.9 | -175.5 | 0 | 112.3 | C385 | C385-K387 PolarHBondContact O-N 3.31Š| ||
| 388 | K | 35.1 | Very low | 36.6 | Very low | 181 Ų | 181 | 158.3 Ų | 158.3 | 79% | 0.787 | 80% | 0.797 | S | S | * | * | -171.2 | 107.2 | 127.1 | -101.4 | 159.8 | -177 | -178 | 0 | 109.5 | |||||
| 389 | L | 45.5 | Very low | 35.4 | Very low | 116 Ų | 116 | 159.6 Ų | 159.6 | 61% | 0.607 | 80% | 0.803 | S | S | * | * | 70.7 | 140.9 | 88.7 | -67.1 | -175 | 0 | 0 | 0 | 111.7 | |||||
| 390 | F | 34.1 | Very low | 35.1 | Very low | 179 Ų | 179 | 160.6 Ų | 160.6 | 79% | 0.785 | 80% | 0.804 | S | S | * | * | cis | -132.1 | 142.1 | 28.9 | -69.9 | -91.5 | 0 | 0 | 0 | 110.5 | ||||
| 391 | S | 29.3 | Very low | 34.7 | Very low | 89 Ų | 89 | 162.6 Ų | 162.6 | 62% | 0.622 | 80% | 0.803 | S | S | * | * | 74.3 | 112.4 | 65 | -49.8 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 392 | I | 27.8 | Very low | 34.4 | Very low | 163 Ų | 163 | 161 Ų | 161 | 84% | 0.836 | 80% | 0.795 | S | S | * | * | trans | -112.8 | 142.4 | 148.8 | -63.2 | 176.5 | 0 | 0 | 0 | 104.9 | ||||
| 393 | P | 37.3 | Very low | 34.3 | Very low | 93 Ų | 93 | 159.2 Ų | 159.2 | 60% | 0.604 | 79% | 0.787 | S | S | * | * | trans | -69.7 | 158.2 | -178.3 | -17.4 | 32.4 | 0 | 0 | 0 | 113.5 | E395 | P393-E395 HydrophobicContact CB-CG 4.19Š| ||
| 394 | E | 34.6 | Very low | 34 | Very low | 195 Ų | 195 | 159.4 Ų | 159.4 | 91% | 0.911 | 79% | 0.788 | S | S | * | * | trans | -79.1 | 137.2 | 149.7 | -66.2 | 152.2 | 132.7 | 0 | 0 | 107.1 | ||||
| 395 | E | 31 | Very low | 33.9 | Very low | 173 Ų | 173 | 156.7 Ų | 156.7 | 81% | 0.808 | 78% | 0.778 | S | S | * | * | trans | -129.5 | 124.8 | 173.1 | -65.4 | -175.3 | -142.1 | 0 | 0 | 107.6 | P393 | P393-E395 HydrophobicContact CB-CG 4.19Š| ||
| 396 | E | 39 | Very low | 33.6 | Very low | 191 Ų | 191 | 157 Ų | 157 | 89% | 0.893 | 77% | 0.767 | S | S | * | * | trans | -90.5 | 121.9 | 179 | -63.3 | 170.7 | 118.1 | 0 | 0 | 109.6 | ||||
| 397 | E | 30.9 | Very low | 33.5 | Very low | 189 Ų | 189 | 158.1 Ų | 158.1 | 88% | 0.883 | 76% | 0.757 | S | S | * | * | trans | -135 | 112 | 155.4 | -63.5 | -173 | 148.2 | 0 | 0 | 104 | ||||
| 398 | E | 29.4 | Very low | 32.8 | Very low | 191 Ų | 191 | 155 Ų | 155 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | 69.2 | 156.8 | 65.3 | -66.1 | -150.3 | 146.1 | 0 | 0 | 114 | |||||
| 399 | E | 33 | Very low | 32.5 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 75% | 0.754 | S | S | * | * | trans | -92.6 | -174.3 | -162 | -55.8 | -174.7 | 124.4 | 0 | 0 | 113.6 | ||||
| 400 | E | 32 | Very low | 31.7 | Very low | 174 Ų | 174 | 149.6 Ų | 149.6 | 81% | 0.813 | 77% | 0.771 | S | S | * | * | trans | 69.7 | 157.1 | 169.6 | -55.9 | -174.8 | 162 | 0 | 0 | 115.7 | ||||
| 401 | E | 30.7 | Very low | 31.4 | Very low | 158 Ų | 158 | 144.9 Ų | 144.9 | 74% | 0.738 | 77% | 0.773 | S | S | * | * | cis | -152.5 | 178.9 | -35.1 | -111.9 | -172.9 | 163.7 | 0 | 0 | 106.3 | ||||
| 402 | D | 30.8 | Very low | 31.3 | Very low | 125 Ų | 125 | 146.8 Ų | 146.8 | 67% | 0.668 | 79% | 0.785 | S | S | * | * | trans | 13.9 | 148.6 | 142.5 | -64 | -10.1 | 0 | 0 | 0 | 120.8 | ||||
| 403 | E | 32.8 | Very low | 31.5 | Very low | 151 Ų | 151 | 144.8 Ų | 144.8 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | cis | -166.6 | 166.3 | 13.6 | -127.6 | 172.6 | 175.9 | 0 | 0 | 110 | ||||
| 404 | E | 31.8 | Very low | 31.3 | Very low | 166 Ų | 166 | 144.9 Ų | 144.9 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | 62.7 | 162.9 | 153.6 | -68.7 | -173.1 | 159.4 | 0 | 0 | 119.2 | ||||
| 405 | E | 34.7 | Very low | 31 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 67% | 0.673 | 79% | 0.787 | S | S | * | * | cis | -144.3 | 169.8 | 3 | -140.8 | -156.3 | 156.5 | 0 | 0 | 112.1 | ||||
| 406 | E | 32 | Very low | 30.9 | Very low | 127 Ų | 127 | 145.5 Ų | 145.5 | 59% | 0.593 | 79% | 0.785 | S | S | * | * | trans | 21.1 | 145.2 | 146.5 | -76.1 | -156.6 | 152.8 | 0 | 0 | 123 | ||||
| 407 | K | 30 | Very low | 31.2 | Very low | 145 Ų | 145 | 142 Ų | 142 | 63% | 0.63 | 78% | 0.779 | S | S | * | * | cis | 170.9 | 149.7 | 4 | 158.9 | 169.2 | 167.9 | -178.2 | 0 | 113.9 | ||||
| 408 | S | 26.4 | Very low | 31.1 | Very low | 122 Ų | 122 | 136.1 Ų | 136.1 | 85% | 0.853 | 77% | 0.77 | S | S | * | * | trans | 64.3 | 153.1 | 161 | 73.2 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 409 | G | 29.1 | Very low | 32.5 | Very low | 67 Ų | 67 | 133 Ų | 133 | 69% | 0.691 | 77% | 0.766 | S | S | * | * | cis | 165 | 158.4 | -10.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 410 | A | 29.7 | Very low | 33 | Very low | 117 Ų | 117 | 130.3 Ų | 130.3 | 97% | 0.967 | 76% | 0.764 | S | S | * | * | trans | 45.2 | 123.9 | 159 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 411 | G | 27.4 | Very low | 32.9 | Very low | 79 Ų | 79 | 130.5 Ų | 130.5 | 81% | 0.814 | 77% | 0.765 | S | S | * | * | trans | 145.7 | 111.5 | 149 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 412 | C | 27.9 | Very low | 33.5 | Very low | 130 Ų | 130 | 127.9 Ų | 127.9 | 88% | 0.878 | 76% | 0.762 | S | S | * | * | trans | -115.7 | 170.7 | 169.8 | -56.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 413 | S | 30.7 | Very low | 33.4 | Very low | 120 Ų | 120 | 125.8 Ų | 125.8 | 84% | 0.839 | 76% | 0.762 | S | S | * | * | trans | 74.7 | 143.8 | 174.3 | -92 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 414 | S | 33.8 | Very low | 33.1 | Very low | 95 Ų | 95 | 126 Ų | 126 | 66% | 0.664 | 77% | 0.767 | S | S | * | * | cis | -166.2 | 173.8 | 0.6 | 55.1 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 415 | R | 27.1 | Very low | 32.9 | Very low | 238 Ų | 238 | 125.9 Ų | 125.9 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | 108.3 | 113.1 | 142.3 | -86.2 | 176.1 | 163.9 | -169.2 | -6.8 | 122.4 | ||||
| 416 | D | 30.3 | Very low | 32.6 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 77% | 0.765 | 77% | 0.772 | S | S | * | * | trans | -53.5 | 174.9 | 142.5 | -149.4 | 38.5 | 0 | 0 | 0 | 112.4 | ||||
| 417 | P | 45.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 124.7 Ų | 124.7 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | cis | -152.1 | 175.2 | 24.1 | 45.3 | -24.2 | 0 | 0 | 0 | 121 | ||||
| 418 | G | 27.3 | Very low | 32.4 | Very low | 67 Ų | 67 | 120.9 Ų | 120.9 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | trans | 131.2 | 133.4 | 139.5 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 419 | P | 58.5 | Low | 32.4 | Very low | 126 Ų | 126 | 121 Ų | 121 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -99.5 | -175.1 | 175.7 | 42.9 | -38 | 0 | 0 | 0 | 112.9 | ||||
| 420 | P | 44.5 | Very low | 32.4 | Very low | 125 Ų | 125 | 124.6 Ų | 124.6 | 81% | 0.812 | 79% | 0.793 | S | S | * | * | cis | -146.4 | -169.1 | 22.6 | 45.5 | -23.4 | 0 | 0 | 0 | 119.3 | ||||
| 421 | E | 28.8 | Very low | 32.5 | Very low | 178 Ų | 178 | 124.3 Ų | 124.3 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -65 | -179.2 | 172.4 | -106.8 | -150.9 | 133.9 | 0 | 0 | 116.2 | ||||
| 422 | P | 45.1 | Very low | 32.5 | Very low | 104 Ų | 104 | 124.4 Ų | 124.4 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | cis | -137.4 | -170.5 | 0.2 | 33.6 | -10.8 | 0 | 0 | 0 | 116.7 | ||||
| 423 | A | 28.1 | Very low | 32.7 | Very low | 80 Ų | 80 | 127.1 Ų | 127.1 | 66% | 0.661 | 79% | 0.785 | S | S | * | * | trans | 98.6 | 117.6 | 137.2 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 424 | L | 27 | Very low | 33.7 | Very low | 157 Ų | 157 | 126.2 Ų | 126.2 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | 65.5 | 137.9 | 126.7 | -70.9 | 179.6 | 0 | 0 | 0 | 125.4 | |||||
| 425 | L | 27.5 | Very low | 33.4 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | 82.2 | 147.9 | 146.3 | -70.5 | 161.5 | 0 | 0 | 0 | 122.1 | ||||
| 426 | G | 27.6 | Very low | 33.4 | Very low | 68 Ų | 68 | 132.9 Ų | 132.9 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 105 | 107.3 | 173 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 427 | L | 29.8 | Very low | 34.4 | Very low | 178 Ų | 178 | 131.9 Ų | 131.9 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | cis | 77.9 | 127.8 | 41.5 | -59.6 | 176.6 | 0 | 0 | 0 | 115.4 | ||||
| 428 | G | 27.6 | Very low | 33.4 | Very low | 64 Ų | 64 | 129.5 Ų | 129.5 | 66% | 0.66 | 79% | 0.785 | S | S | * | * | trans | 106.3 | 120.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 429 | C | 27.8 | Very low | 33.5 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | cis | 62.7 | 131.8 | 30.5 | -42.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 430 | D | 28.8 | Very low | 32 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 80% | 0.798 | S | S | * | * | cis | -151.3 | -178.9 | 8.9 | -146 | -64.9 | 0 | 0 | 0 | 112.3 | ||||
| 431 | S | 30.1 | Very low | 31.9 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 77% | 0.769 | 80% | 0.796 | S | S | * | * | trans | -42.9 | 155.5 | 177 | 52.7 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 432 | G | 29 | Very low | 31.8 | Very low | 82 Ų | 82 | 134.6 Ų | 134.6 | 85% | 0.845 | 80% | 0.796 | S | S | * | * | trans | 171.1 | 84.1 | 167.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 433 | Q | 32 | Very low | 31 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -125.3 | 171.4 | 161.5 | -113.3 | -156.5 | 30.5 | 0 | 0 | 109 | ||||
| 434 | P | 51.6 | Low | 32.1 | Very low | 101 Ų | 101 | 135.7 Ų | 135.7 | 66% | 0.656 | 80% | 0.799 | S | S | * | * | cis | -134.4 | -177.5 | -21 | 36.3 | -19.3 | 0 | 0 | 0 | 113.5 | ||||
| 435 | R | 27.7 | Very low | 32.4 | Very low | 252 Ų | 252 | 136.5 Ų | 136.5 | 95% | 0.951 | 80% | 0.798 | S | S | * | * | trans | -160.2 | 147.2 | 149.7 | -114.7 | 163.2 | -171.9 | -108.1 | 0.7 | 115 | ||||
| 436 | R | 26.7 | Very low | 32.8 | Very low | 221 Ų | 221 | 133 Ų | 133 | 83% | 0.834 | 79% | 0.787 | S | S | * | * | trans | -110 | -178.4 | 177.8 | -90.7 | -177.1 | 175.3 | 157.8 | -2.5 | 109.7 | ||||
| 437 | P | 51.6 | Low | 33.1 | Very low | 122 Ų | 122 | 134.1 Ų | 134.1 | 79% | 0.792 | 79% | 0.785 | S | S | * | * | cis | -138.7 | -174.7 | -46.6 | 40.7 | -24.5 | 0 | 0 | 0 | 113.1 | ||||
| 438 | G | 25.3 | Very low | 33.2 | Very low | 68 Ų | 68 | 137.2 Ų | 137.2 | 70% | 0.701 | 78% | 0.784 | S | S | * | * | trans | 134.7 | 129.5 | 135.3 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 439 | Q | 27.6 | Very low | 33.2 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 94% | 0.939 | 79% | 0.791 | S | S | * | * | trans | 73.8 | 156.9 | 144.5 | -54.1 | -167.4 | 23.1 | 0 | 0 | 121.9 | ||||
| 440 | C | 27.2 | Very low | 33.3 | Very low | 124 Ų | 124 | 135.7 Ų | 135.7 | 84% | 0.838 | 78% | 0.78 | S | S | * | * | trans | -102 | 176.2 | -168 | -50 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 441 | P | 42.1 | Very low | 33.7 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | -156.3 | 150.7 | 89.4 | 39.5 | -19.9 | 0 | 0 | 0 | 119.6 | |||||
| 442 | L | 28.2 | Very low | 33.8 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | trans | 29.8 | 134.2 | 140.1 | -60.2 | 175.5 | 0 | 0 | 0 | 125.4 | ||||
| 443 | S | 27.6 | Very low | 33.8 | Very low | 104 Ų | 104 | 138.6 Ų | 138.6 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 80.4 | 160.5 | 134.5 | -70.5 | 0 | 0 | 0 | 0 | 122 | ||||
| 444 | P | 50.8 | Low | 33.9 | Very low | 104 Ų | 104 | 138.4 Ų | 138.4 | 68% | 0.675 | 77% | 0.773 | S | S | * | * | cis | -146.5 | -172.9 | -37 | 42.6 | -24.7 | 0 | 0 | 0 | 116.4 | ||||
| 445 | E | 34.5 | Very low | 32.7 | Very low | 173 Ų | 173 | 141.1 Ų | 141.1 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 75.4 | 156.2 | 152.8 | -72.8 | -153.2 | 73.7 | 0 | 0 | 122.4 | ||||
| 446 | S | 34.3 | Very low | 32.9 | Very low | 89 Ų | 89 | 136.8 Ų | 136.8 | 62% | 0.622 | 77% | 0.774 | S | S | * | * | cis | -174.3 | -179.9 | -28.3 | 71.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 447 | S | 34.6 | Very low | 34 | Very low | 93 Ų | 93 | 132 Ų | 132 | 65% | 0.65 | 77% | 0.772 | S | S | * | * | cis | -162.7 | 177.4 | 1.7 | 58.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 448 | R | 32 | Very low | 32.7 | Very low | 243 Ų | 243 | 129.5 Ų | 129.5 | 92% | 0.917 | 77% | 0.768 | S | S | * | * | trans | 74.1 | 145.9 | 161.6 | -70 | -177.9 | 159.1 | -159.7 | -8.9 | 119.7 | ||||
| 449 | A | 27.9 | Very low | 33 | Very low | 98 Ų | 98 | 134.1 Ų | 134.1 | 81% | 0.81 | 78% | 0.776 | S | S | * | * | cis | -173 | 171.9 | -13.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 450 | G | 30.6 | Very low | 33.2 | Very low | 58 Ų | 58 | 131.5 Ų | 131.5 | 60% | 0.598 | 77% | 0.773 | S | S | * | * | cis | 154.9 | 151.9 | -5.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 451 | D | 36.8 | Very low | 33.3 | Very low | 155 Ų | 155 | 129.3 Ų | 129.3 | 83% | 0.829 | 77% | 0.772 | S | S | * | * | trans | 67.3 | 165.3 | 162.7 | -60.8 | -91.2 | 0 | 0 | 0 | 118.7 | ||||
| 452 | C | 31.4 | Very low | 32.7 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 72% | 0.716 | 77% | 0.767 | S | S | * | * | cis | -174.9 | 164.7 | -32.8 | -95.2 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 453 | L | 30.2 | Very low | 32.8 | Very low | 136 Ų | 136 | 125.1 Ų | 125.1 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | cis | -176.7 | 140.7 | -22 | 172.5 | 137.4 | 0 | 0 | 0 | 111.8 | ||||
| 454 | E | 33.3 | Very low | 32.8 | Very low | 182 Ų | 182 | 124.5 Ų | 124.5 | 85% | 0.85 | 77% | 0.765 | S | S | * | * | trans | 68 | 152.5 | 165.7 | -78.3 | -172.5 | 128.5 | 0 | 0 | 125.6 | ||||
| 455 | D | 27.3 | Very low | 32 | Very low | 158 Ų | 158 | 129.5 Ų | 129.5 | 85% | 0.845 | 77% | 0.77 | S | S | * | * | trans | 85.9 | 160 | 157.8 | -138.8 | 4.5 | 0 | 0 | 0 | 123.8 | ||||
| 456 | M | 31.1 | Very low | 31.9 | Very low | 161 Ų | 161 | 129.4 Ų | 129.4 | 79% | 0.793 | 76% | 0.762 | S | S | * | * | trans | -102.2 | -170.2 | -169.1 | -77.6 | -88.7 | 97.8 | 0 | 0 | 113.2 | ||||
| 457 | P | 48.8 | Very low | 31.8 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | cis | -132.8 | 170.2 | -18.7 | 33 | -14.2 | 0 | 0 | 0 | 116.3 | ||||
| 458 | G | 25.2 | Very low | 31.5 | Very low | 70 Ų | 70 | 134 Ų | 134 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | 102.3 | 159.2 | 121.8 | 0 | 0 | 0 | 0 | 0 | 123.1 | |||||
| 459 | L | 32 | Very low | 31.4 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 86% | 0.864 | 78% | 0.776 | S | S | * | * | trans | 66.8 | 125.7 | 169.5 | -55.8 | 172.6 | 0 | 0 | 0 | 117 | ||||
| 460 | V | 32.2 | Very low | 31.3 | Very low | 145 Ų | 145 | 126 Ų | 126 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | cis | 78.9 | 104.9 | 43.6 | 179.8 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 461 | G | 28.1 | Very low | 31.5 | Very low | 79 Ų | 79 | 128.9 Ų | 128.9 | 81% | 0.814 | 79% | 0.788 | S | S | * | * | trans | 155 | 121.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 462 | G | 29.4 | Very low | 32 | Very low | 66 Ų | 66 | 126.6 Ų | 126.6 | 68% | 0.68 | 78% | 0.782 | S | S | * | * | cis | 137.4 | 138.8 | -2.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 463 | S | 30 | Very low | 31.9 | Very low | 123 Ų | 123 | 130.3 Ų | 130.3 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | trans | 71.4 | 157.2 | -179.1 | 87.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 464 | S | 29.2 | Very low | 32.1 | Very low | 91 Ų | 91 | 133.1 Ų | 133.1 | 64% | 0.636 | 80% | 0.795 | S | S | * | * | cis | -168.7 | 149.1 | -35 | 61.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 465 | R | 33.1 | Very low | 32.7 | Very low | 208 Ų | 208 | 129.9 Ų | 129.9 | 79% | 0.785 | 79% | 0.79 | S | S | * | * | trans | 50.7 | 125.9 | 132.5 | -71 | -179.3 | -170.2 | -81.1 | 6.3 | 120.6 | ||||
| 466 | R | 33 | Very low | 33.6 | Very low | 171 Ų | 171 | 127.6 Ų | 127.6 | 65% | 0.645 | 78% | 0.784 | S | S | * | * | trans | 93.5 | 131.2 | 130 | -77.6 | 174.1 | -177.3 | -65.1 | 5.9 | 120.3 | ||||
| 467 | R | 31.9 | Very low | 33.4 | Very low | 205 Ų | 205 | 125.4 Ų | 125.4 | 77% | 0.774 | 78% | 0.784 | S | S | * | * | trans | 65.7 | 132.8 | 147.5 | -69.3 | -173.7 | -103 | -117.9 | 11.4 | 115.4 | ||||
| 468 | G | 27.9 | Very low | 32.6 | Very low | 75 Ų | 75 | 131.1 Ų | 131.1 | 77% | 0.773 | 79% | 0.79 | S | S | * | * | cis | 97.8 | 112.7 | 2.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 469 | G | 29.8 | Very low | 32.9 | Very low | 90 Ų | 90 | 139 Ų | 139 | 93% | 0.928 | 80% | 0.798 | S | S | * | * | trans | 107.3 | 118.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 470 | G | 26.5 | Very low | 32.8 | Very low | 81 Ų | 81 | 141 Ų | 141 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 131.9 | 95 | 165.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 471 | S | 33.8 | Very low | 32.8 | Very low | 119 Ų | 119 | 139.9 Ų | 139.9 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -74.8 | 167.3 | 161.1 | -49.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 472 | P | 47.7 | Very low | 33.3 | Very low | 108 Ų | 108 | 142 Ų | 142 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | -144.6 | 157.3 | 104 | 37.5 | -23.6 | 0 | 0 | 0 | 117.1 | |||||
| 473 | E | 29.8 | Very low | 33.4 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 79% | 0.791 | S | S | * | * | trans | 71.4 | 174.5 | 148.9 | -71.4 | 175.2 | 110.3 | 0 | 0 | 121.6 | ||||
| 474 | K | 33.3 | Very low | 33.8 | Very low | 195 Ų | 195 | 145.4 Ų | 145.4 | 85% | 0.848 | 79% | 0.79 | S | S | * | * | trans | -165 | 173 | -147.5 | -90.4 | -177.8 | 179.3 | 178.7 | 0 | 108.9 | ||||
| 475 | P | 46.8 | Very low | 34.2 | Very low | 114 Ų | 114 | 151.6 Ų | 151.6 | 74% | 0.74 | 80% | 0.799 | S | S | * | * | cis | -126.8 | -144.9 | -30.8 | 41.9 | -23.8 | 0 | 0 | 0 | 107.9 | ||||
| 476 | P | 46.8 | Very low | 34.3 | Very low | 110 Ų | 110 | 150.9 Ų | 150.9 | 71% | 0.714 | 81% | 0.805 | S | S | * | * | cis | -130.9 | 155.3 | -20.9 | 37.6 | -21.1 | 0 | 0 | 0 | 115.8 | ||||
| 477 | S | 26.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 150.4 Ų | 150.4 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | 173.6 | 151.3 | 114.1 | 51.6 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 478 | R | 31.6 | Very low | 34.2 | Very low | 240 Ų | 240 | 145.5 Ų | 145.5 | 91% | 0.906 | 81% | 0.805 | S | S | * | * | trans | 37.5 | 98 | 156 | -69.6 | -175.5 | 168.4 | -162.1 | -3.9 | 121.3 | ||||
| 479 | R | 31.3 | Very low | 34.3 | Very low | 235 Ų | 235 | 148 Ų | 148 | 89% | 0.887 | 81% | 0.811 | S | S | * | * | -174.3 | 169.1 | 129.8 | -93.9 | 176.2 | -156.8 | -125.2 | 17.7 | 104.5 | |||||
| 480 | R | 29.5 | Very low | 34.3 | Very low | 207 Ų | 207 | 154.8 Ų | 154.8 | 78% | 0.781 | 81% | 0.809 | S | S | * | * | cis | -153.6 | 153 | 4.7 | -151.7 | 177.7 | -77.4 | 170.1 | -10.4 | 106.3 | ||||
| 481 | P | 33.9 | Very low | 34.5 | Very low | 123 Ų | 123 | 158.4 Ų | 158.4 | 80% | 0.799 | 81% | 0.808 | S | S | * | * | trans | -82.6 | 146.8 | 169.5 | 33.1 | -34 | 0 | 0 | 0 | 112.1 | ||||
| 482 | P | 37.8 | Very low | 34.3 | Very low | 122 Ų | 122 | 160 Ų | 160 | 79% | 0.792 | 81% | 0.806 | S | S | * | * | trans | -120.8 | 151.7 | 165.9 | 38.1 | -27.7 | 0 | 0 | 0 | 114.9 | ||||
| 483 | D | 32 | Very low | 33.4 | Very low | 134 Ų | 134 | 158.7 Ų | 158.7 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | -6.3 | 140.5 | 154.6 | -178.8 | 45.5 | 0 | 0 | 0 | 121 | ||||
| 484 | P | 37.1 | Very low | 33.4 | Very low | 128 Ų | 128 | 156 Ų | 156 | 83% | 0.831 | 79% | 0.791 | S | S | * | * | trans | -113.6 | 62.1 | 173.7 | 42.4 | -32.8 | 0 | 0 | 0 | 115.6 | ||||
| 485 | R | 37.3 | Very low | 33.3 | Very low | 221 Ų | 221 | 153.5 Ų | 153.5 | 83% | 0.834 | 79% | 0.788 | S | S | * | * | trans | -147.8 | 67.6 | 164.9 | -143.3 | 175.9 | -163.5 | -112.1 | 6.6 | 117.6 | ||||
| 486 | E | 37 | Very low | 32.5 | Very low | 193 Ų | 193 | 151.6 Ų | 151.6 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -158.1 | 179.5 | 150 | -121.4 | -174.3 | -143.6 | 0 | 0 | 117.5 | ||||
| 487 | H | 32.8 | Very low | 32.5 | Very low | 160 Ų | 160 | 152.8 Ų | 152.8 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -73.9 | 143.6 | -148.3 | -88 | -80.7 | 0 | 0 | 0 | 121.6 | ||||
| 488 | C | 28.7 | Very low | 32.7 | Very low | 102 Ų | 102 | 156.1 Ų | 156.1 | 69% | 0.689 | 80% | 0.799 | S | S | * | * | trans | 50.1 | 130.5 | 132 | -65.6 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 489 | S | 29.8 | Very low | 32.5 | Very low | 129 Ų | 129 | 149 Ų | 149 | 90% | 0.902 | 79% | 0.792 | S | S | * | * | -157.3 | 164.7 | 118.1 | -88.8 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 490 | R | 30 | Very low | 32.6 | Very low | 231 Ų | 231 | 144 Ų | 144 | 87% | 0.872 | 79% | 0.792 | S | S | * | * | trans | -117.9 | -171.6 | -165 | -63.4 | -176.7 | 175.3 | -173.3 | -0.7 | 113.5 | ||||
| 491 | L | 30.4 | Very low | 32.5 | Very low | 158 Ų | 158 | 137.3 Ų | 137.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | 84 | 116.9 | 174.8 | -48 | 176.6 | 0 | 0 | 0 | 111.9 | ||||
| 492 | L | 31.1 | Very low | 32.3 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | cis | -144.3 | 168.7 | 11.6 | -69.9 | 178.5 | 0 | 0 | 0 | 107.8 | ||||
| 493 | S | 27 | Very low | 31.8 | Very low | 82 Ų | 82 | 143.8 Ų | 143.8 | 57% | 0.573 | 79% | 0.792 | S | S | * | * | cis | -177.2 | 171 | -5.9 | -100.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 494 | N | 30.2 | Very low | 31.5 | Very low | 125 Ų | 125 | 140.7 Ų | 140.7 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | cis | -168.7 | 161.3 | -11.4 | -96 | 1.2 | 0 | 0 | 0 | 105.4 | ||||
| 495 | N | 31 | Very low | 32.5 | Very low | 144 Ų | 144 | 140.6 Ų | 140.6 | 77% | 0.77 | 79% | 0.791 | S | S | * | * | cis | -167.7 | 144.1 | -24 | -100 | -9.2 | 0 | 0 | 0 | 108 | ||||
| 496 | G | 31.3 | Very low | 32 | Very low | 73 Ų | 73 | 136.4 Ų | 136.4 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | trans | 88.3 | 172.4 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 497 | P | 45.6 | Very low | 31.9 | Very low | 136 Ų | 136 | 136.9 Ų | 136.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | cis | -105.2 | -175.4 | 14.3 | 40.3 | -34.9 | 0 | 0 | 0 | 115.2 | ||||
| 498 | Q | 30.4 | Very low | 31.7 | Very low | 184 Ų | 184 | 134.9 Ų | 134.9 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | -117 | 179.7 | 178.9 | -112.4 | -92.9 | 7.6 | 0 | 0 | 110 | ||||
| 499 | A | 28.2 | Very low | 31.8 | Very low | 91 Ų | 91 | 139.8 Ų | 139.8 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | 90.6 | 139.1 | 160.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 500 | S | 32.6 | Very low | 31.8 | Very low | 129 Ų | 129 | 137.4 Ų | 137.4 | 90% | 0.902 | 77% | 0.774 | S | S | * | * | trans | -89.4 | 148 | 164.6 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 501 | G | 28.5 | Very low | 31.6 | Very low | 68 Ų | 68 | 130.2 Ų | 130.2 | 70% | 0.701 | 77% | 0.772 | S | S | * | * | trans | 175 | 88.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 502 | R | 28.7 | Very low | 31.9 | Very low | 226 Ų | 226 | 130.3 Ų | 130.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | 36.5 | 140.4 | 130.6 | -130 | -178 | -157.4 | -91.3 | 2.4 | 121.8 | ||||
| 503 | L | 28.1 | Very low | 32.7 | Very low | 154 Ų | 154 | 128.7 Ų | 128.7 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | 91.3 | 139.5 | 157.5 | -51.8 | 172.8 | 0 | 0 | 0 | 119.3 | ||||
| 504 | G | 25.9 | Very low | 32.9 | Very low | 69 Ų | 69 | 130.3 Ų | 130.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -116.2 | -138.9 | 159.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 505 | P | 57.3 | Low | 32.9 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -138.2 | 173.9 | -18.8 | 43 | -27.5 | 0 | 0 | 0 | 114.8 | ||||
| 506 | T | 27.8 | Very low | 32.8 | Very low | 134 Ų | 134 | 133.3 Ų | 133.3 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | -166.6 | 137.4 | 154.6 | 31.3 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 507 | R | 33.7 | Very low | 32.7 | Very low | 203 Ų | 203 | 133 Ų | 133 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | 65.8 | 141 | 66 | -98.5 | -169.9 | 147.5 | 169.7 | -5.7 | 114.3 | |||||
| 508 | E | 29.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 132.1 Ų | 132.1 | 55% | 0.547 | 78% | 0.778 | S | S | . | * | cis | -163.1 | -176.5 | -9.2 | -139.4 | 179.9 | -122.4 | 0 | 0 | 106.3 | ||||
| 509 | R | 31.1 | Very low | 32.6 | Very low | 205 Ų | 205 | 134.2 Ų | 134.2 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | cis | -166.7 | 145 | 8.5 | 165.2 | -179.6 | -68.8 | -136.3 | -6.1 | 110.7 | ||||
| 510 | G | 28.3 | Very low | 32.5 | Very low | 79 Ų | 79 | 136.1 Ų | 136.1 | 81% | 0.814 | 78% | 0.78 | S | S | * | * | trans | 77.6 | 169.4 | 158.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 511 | G | 27.7 | Very low | 32.3 | Very low | 80 Ų | 80 | 133.4 Ų | 133.4 | 83% | 0.825 | 77% | 0.773 | S | S | * | * | cis | 172.6 | 146.9 | -6.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 512 | L | 34.9 | Very low | 32.5 | Very low | 161 Ų | 161 | 138.3 Ų | 138.3 | 84% | 0.843 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 157.3 | 178.2 | -62.2 | 171.1 | 0 | 0 | 0 | 112.2 | ||||
| 513 | P | 48.6 | Very low | 32.6 | Very low | 116 Ų | 116 | 135.3 Ų | 135.3 | 75% | 0.753 | 78% | 0.778 | S | S | * | * | -126.5 | 160.4 | 82 | 6.6 | 17.2 | 0 | 0 | 0 | 112.5 | |||||
| 514 | V | 30.7 | Very low | 32.8 | Very low | 117 Ų | 117 | 131 Ų | 131 | 71% | 0.709 | 76% | 0.764 | S | S | * | * | cis | 72.8 | 113.5 | 44.1 | -174.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 515 | I | 30.6 | Very low | 32.9 | Very low | 147 Ų | 147 | 133.9 Ų | 133.9 | 75% | 0.754 | 77% | 0.774 | S | S | * | * | trans | 177.4 | 128.8 | 133.8 | -91.3 | 159 | 0 | 0 | 0 | 111.5 | ||||
| 516 | E | 29.8 | Very low | 31.5 | Very low | 184 Ų | 184 | 131.7 Ų | 131.7 | 86% | 0.86 | 77% | 0.773 | S | S | * | * | trans | 15.7 | 150.6 | 152.1 | -52.2 | 176.7 | 116.6 | 0 | 0 | 124.4 | ||||
| 517 | G | 28 | Very low | 31.6 | Very low | 68 Ų | 68 | 137.5 Ų | 137.5 | 70% | 0.701 | 78% | 0.78 | S | S | * | * | trans | -82 | -157.9 | 162.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 518 | P | 41 | Very low | 31.2 | Very low | 117 Ų | 117 | 131.1 Ų | 131.1 | 76% | 0.76 | 78% | 0.778 | S | S | * | * | -157.1 | 177.1 | 53.1 | 43.7 | -22.7 | 0 | 0 | 0 | 119.3 | |||||
| 519 | R | 32.9 | Very low | 31.3 | Very low | 228 Ų | 228 | 136.9 Ų | 136.9 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | 65.1 | 129.9 | 141.8 | -80.2 | 173.4 | -174.6 | -161.7 | 1.3 | 124.2 | ||||
| 520 | T | 26.7 | Very low | 31.1 | Very low | 130 Ų | 130 | 134.8 Ų | 134.8 | 80% | 0.798 | 80% | 0.798 | S | S | * | * | trans | 61.5 | 104.6 | 138.4 | 58.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 521 | G | 27.3 | Very low | 31.1 | Very low | 73 Ų | 73 | 134.3 Ų | 134.3 | 75% | 0.753 | 79% | 0.793 | S | S | * | * | 81.3 | 127.5 | 91.7 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 522 | L | 34.1 | Very low | 31.9 | Very low | 171 Ų | 171 | 136.4 Ų | 136.4 | 90% | 0.895 | 79% | 0.792 | S | S | * | * | trans | 166.4 | 151.8 | 158.5 | -90.4 | 154.7 | 0 | 0 | 0 | 105.6 | ||||
| 523 | E | 30.6 | Very low | 31.6 | Very low | 163 Ų | 163 | 133.8 Ų | 133.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | cis | 173.1 | 165.5 | -25.1 | -134.6 | -70.7 | 79.6 | 0 | 0 | 105.1 | ||||
| 524 | A | 31.2 | Very low | 30.7 | Very low | 64 Ų | 64 | 138.1 Ų | 138.1 | 53% | 0.529 | 79% | 0.788 | S | S | . | * | trans | 56.4 | 108.4 | 152.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 525 | S | 28.2 | Very low | 30.6 | Very low | 129 Ų | 129 | 143 Ų | 143 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | 39.5 | 138.2 | 112 | -60.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 526 | G | 27.6 | Very low | 30.4 | Very low | 79 Ų | 79 | 142 Ų | 142 | 81% | 0.814 | 80% | 0.798 | S | S | * | * | trans | 170.5 | 90.3 | 151.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | G528 | G526-G528 PolarHBondContact O-N 3.31Š| ||
| 527 | R | 30.2 | Very low | 30.4 | Very low | 256 Ų | 256 | 138.2 Ų | 138.2 | 97% | 0.966 | 79% | 0.792 | S | S | * | * | trans | -57.6 | 126.3 | 174.9 | -56.4 | 169.1 | -177.4 | -89.4 | 2.1 | 114.9 | ||||
| 528 | G | 24.8 | Very low | 30.5 | Very low | 69 Ų | 69 | 147.1 Ų | 147.1 | 71% | 0.711 | 81% | 0.805 | S | S | * | * | 96.6 | 138.6 | 106.6 | 0 | 0 | 0 | 0 | 0 | 122.5 | G526 | G526-G528 PolarHBondContact O-N 3.31Š| |||
| 529 | R | 32.8 | Very low | 29.8 | Very low | 238 Ų | 238 | 145.3 Ų | 145.3 | 90% | 0.898 | 81% | 0.807 | S | S | * | * | trans | 67.9 | 149.1 | 165.9 | -61.3 | -178.1 | 171.8 | -94.7 | -0.2 | 115.2 | ||||
| 530 | L | 27.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 143.3 Ų | 143.3 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | cis | -143.8 | 168.2 | 33.6 | -72.1 | 158.4 | 0 | 0 | 0 | 113 | ||||
| 531 | G | 27.7 | Very low | 29.4 | Very low | 69 Ų | 69 | 141.1 Ų | 141.1 | 71% | 0.711 | 80% | 0.795 | S | S | * | * | trans | -102.5 | -148.4 | 162 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 532 | P | 44.2 | Very low | 29.5 | Very low | 124 Ų | 124 | 143.1 Ų | 143.1 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | cis | -143.5 | 169.6 | -2.7 | 42.9 | -25.2 | 0 | 0 | 0 | 117.4 | ||||
| 533 | S | 29.4 | Very low | 29.5 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 74% | 0.741 | 78% | 0.775 | S | S | * | * | trans | 53.6 | 131.7 | 142.1 | -171 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 534 | R | 29.9 | Very low | 30 | Very low | 207 Ų | 207 | 139.3 Ų | 139.3 | 78% | 0.781 | 78% | 0.776 | S | S | * | * | -171.2 | 131.3 | 125.1 | -106.4 | 169.2 | -159.6 | -78.1 | 3.3 | 116.5 | |||||
| 535 | R | 28.4 | Very low | 29.9 | Very low | 220 Ų | 220 | 139 Ų | 139 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | 80.8 | 152 | 157.2 | -56.6 | -176.9 | -163.3 | -98.4 | 5.7 | 120.4 | ||||
| 536 | C | 26.8 | Very low | 30.3 | Very low | 125 Ų | 125 | 141.4 Ų | 141.4 | 85% | 0.845 | 78% | 0.78 | S | S | * | * | trans | -131.9 | -176.5 | -176 | -29 | 0 | 0 | 0 | 0 | 109 | ||||
| 537 | S | 29.1 | Very low | 30.4 | Very low | 105 Ų | 105 | 141.3 Ų | 141.3 | 73% | 0.734 | 77% | 0.772 | S | S | * | * | cis | -174 | 160.1 | 7.2 | 35.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 538 | R | 29.9 | Very low | 30.7 | Very low | 255 Ų | 255 | 134.1 Ų | 134.1 | 96% | 0.962 | 76% | 0.761 | S | S | * | * | trans | 74.9 | 139.7 | 171.1 | -65.8 | -177.6 | 164.6 | -169.7 | -6.1 | 117.7 | ||||
| 539 | G | 25.9 | Very low | 30.9 | Very low | 79 Ų | 79 | 136.2 Ų | 136.2 | 81% | 0.814 | 76% | 0.763 | S | S | * | * | cis | 126.6 | 148 | -1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 540 | R | 28 | Very low | 31.2 | Very low | 186 Ų | 186 | 132.2 Ų | 132.2 | 70% | 0.702 | 76% | 0.759 | S | S | * | * | cis | -93.5 | -127.2 | 7.8 | -159.2 | -158.4 | -177.7 | -150.4 | 5.7 | 112.2 | L542 | R540-L542 HydrophobicContact CG-CB 4.48Å; R540-L542 HydrophobicContact CG-CD1 4.31Å; R540-L542 VanDerWaalsContact NH1-C 3.31Å; R540-L542 VanDerWaalsContact NH1-CB 3.34Å; R540-L542 PolarHBondContact NH1-O 2.69Å | ||
| 541 | A | 24 | Very low | 31.7 | Very low | 84 Ų | 84 | 127.3 Ų | 127.3 | 69% | 0.694 | 74% | 0.738 | S | S | * | * | cis | -164.2 | 147.9 | 4.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 542 | L | 28.4 | Very low | 32.4 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 61% | 0.607 | 74% | 0.744 | S | S | * | * | cis | 71.9 | 122.3 | 0.9 | -53.6 | 173.1 | 0 | 0 | 0 | 115.7 | R540 | R540-L542 HydrophobicContact CG-CB 4.48Å; R540-L542 HydrophobicContact CG-CD1 4.31Å; R540-L542 VanDerWaalsContact NH1-C 3.31Å; R540-L542 VanDerWaalsContact NH1-CB 3.34Å; R540-L542 PolarHBondContact NH1-O 2.69Å | ||
| 543 | E | 33.9 | Very low | 32.5 | Very low | 133 Ų | 133 | 131.9 Ų | 131.9 | 62% | 0.621 | 74% | 0.739 | S | S | * | * | cis | -157.7 | -168.9 | 28 | -96.6 | -51.4 | 92.4 | 0 | 0 | 111 | ||||
| 544 | P | 41.7 | Very low | 33.6 | Very low | 121 Ų | 121 | 130.9 Ų | 130.9 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | cis | -124.6 | -177.2 | 2.3 | 43.2 | -27.2 | 0 | 0 | 0 | 114.7 | ||||
| 545 | G | 29.9 | Very low | 35.4 | Very low | 56 Ų | 56 | 123.8 Ų | 123.8 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | cis | 133.4 | 124.2 | 2.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 546 | L | 35.2 | Very low | 37.4 | Very low | 180 Ų | 180 | 119.7 Ų | 119.7 | 94% | 0.942 | 70% | 0.699 | S | S | * | * | -141.9 | 164.1 | 83.4 | -59.1 | 176.3 | 0 | 0 | 0 | 111.6 | |||||
| 547 | A | 30.6 | Very low | 39.7 | Very low | 78 Ų | 78 | 119.3 Ų | 119.3 | 65% | 0.645 | 69% | 0.687 | S | S | * | * | cis | -173.8 | 75.8 | -32.2 | 0 | 0 | 0 | 0 | 0 | 108.1 | C549 | A547-C549 PolarHBondContact O-N 3.23Š| ||
| 548 | S | 35.7 | Very low | 41.2 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 69% | 0.69 | S | S | * | * | trans | -72.6 | 124.7 | 175.6 | 177.2 | 0 | 0 | 0 | 0 | 110.7 | L550 | S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.25Å | ||
| 549 | C | 30.1 | Very low | 42.5 | Very low | 113 Ų | 113 | 114.7 Ų | 114.7 | 76% | 0.764 | 68% | 0.68 | S | S | * | * | trans | -91.8 | 49.8 | -173.2 | -72.5 | 0 | 0 | 0 | 0 | 113.4 | A547 S551 | A547-C549 PolarHBondContact O-N 3.23Å; C549-S551 PolarHBondContact O-N 3.23Å | ||
| 550 | L | 39.8 | Very low | 44.1 | Very low | 154 Ų | 154 | 119.6 Ų | 119.6 | 81% | 0.806 | 68% | 0.682 | S | S | * | * | trans | -69.5 | 75.1 | 174.8 | -70.4 | 176.7 | 0 | 0 | 0 | 112.4 | S548 | S548-L550 VanDerWaalsContact C-N 3.33Å; S548-L550 PolarHBondContact O-N 3.25Å | ||
| 551 | S | 37.1 | Very low | 44.7 | Very low | 58 Ų | 58 | 120.7 Ų | 120.7 | 41% | 0.406 | 69% | 0.688 | S | S | . | * | trans | -74.7 | 135.1 | 156 | 178.4 | 0 | 0 | 0 | 0 | 108.6 | C549 K553 C554 | C549-S551 PolarHBondContact O-N 3.23Å; S551-K553 PolarHBondContact O-N 3.31Å; S551-C554 PolarHBondContact O-N 2.84Å | ||
| 552 | P | 42.3 | Very low | 45.6 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.3 | 47.2 | -179.7 | 33.9 | -37.7 | 0 | 0 | 0 | 112.4 | ||
| 553 | K | 45.8 | Very low | 46.2 | Very low | 161 Ų | 161 | 122.2 Ų | 122.2 | 70% | 0.7 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -152.3 | 2 | -175.8 | -64.1 | -171.3 | 178.7 | 177.3 | 0 | 113.5 | S551 | S551-K553 PolarHBondContact O-N 3.31Š|
| 554 | C | 54.1 | Low | 46.4 | Very low | 86 Ų | 86 | 124.7 Ų | 124.7 | 58% | 0.581 | 70% | 0.703 | S | S | * | * | trans | -128.7 | 118.8 | -174.8 | -58.4 | 0 | 0 | 0 | 0 | 108.3 | S551 | S551-C554 PolarHBondContact O-N 2.84Š| ||
| 555 | L | 67.8 | Low | 46.2 | Very low | 58 Ų | 58 | 125.2 Ų | 125.2 | 30% | 0.304 | 70% | 0.7 | S | S | . | * | trans | -99.2 | 127.5 | 170.3 | -175.6 | 62.8 | 0 | 0 | 0 | 107.3 | E105 L108 L109 I557 | E105-L555 HydrophobicContact CG-CD2 4.08Å; L108-L555 HydrophobicContact CD2-CB 3.93Å; L108-L555 HydrophobicContact CD2-CD1 4.32Å; L108-L555 HydrophobicContact CD2-CG 4.5Å; L108-L555 HydrophobicContact CG-CB 4.5Å; L109-L555 HydrophobicContact CD1-CD2 3.62Å; L555-I557 HydrophobicContact CD2-CD1 4.22Å; L555-I557 HydrophobicContact CD2-CG1 4.32Å; L555-I557 HydrophobicContact CG-CG1 4.14Å | ||
| 556 | E | 70.6 | Confident | 46.9 | Very low | 134 Ų | 134 | 132 Ų | 132 | 63% | 0.626 | 72% | 0.716 | S | S | * | * | trans | -109.9 | 104.3 | -178.7 | -174.9 | 161.6 | -147.2 | 0 | 0 | 108.7 | R118 | R118-E556 IonicContact CZ-OE1 3.74Å; R118-E556 IonicContact NH1-OE1 3.78Å; R118-E556 PolarHBondContact NH1-OE1 3.46Å | ||
| 557 | I | 73.2 | Confident | 47 | Very low | 117 Ų | 117 | 131.2 Ų | 131.2 | 60% | 0.6 | 71% | 0.708 | S | S | * | * | trans | -98.8 | 118.7 | 179.8 | -55.8 | 175.7 | 0 | 0 | 0 | 107.7 | L555 I559 | L555-I557 HydrophobicContact CD2-CD1 4.22Å; L555-I557 HydrophobicContact CD2-CG1 4.32Å; L555-I557 HydrophobicContact CG-CG1 4.14Å; I557-I559 HydrophobicContact CG2-CG1 4.34Å | ||
| 558 | S | 62.4 | Low | 47.3 | Very low | 113 Ų | 113 | 136.9 Ų | 136.9 | 79% | 0.79 | 72% | 0.721 | S | S | * | * | trans | -92.3 | 128.8 | 172.7 | -63.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 559 | I | 57.3 | Low | 47.3 | Very low | 149 Ų | 149 | 136.3 Ų | 136.3 | 76% | 0.764 | 72% | 0.722 | S | S | * | * | trans | -115.3 | 101.3 | 173.9 | -56.1 | 176.5 | 0 | 0 | 0 | 106.6 | I557 | I557-I559 HydrophobicContact CG2-CG1 4.34Š| ||
| 560 | E | 57.9 | Low | 47.3 | Very low | 183 Ų | 183 | 134.5 Ų | 134.5 | 86% | 0.855 | 72% | 0.723 | S | S | * | * | trans | -81.6 | 140.3 | 169.8 | 60.2 | -161.4 | 156.6 | 0 | 0 | 110 | D562 | E560-D562 PolarHBondContact O-N 3.14Š| ||
| 561 | Y | 41.9 | Very low | 46.9 | Very low | 208 Ų | 208 | 133.2 Ų | 133.2 | 82% | 0.816 | 73% | 0.727 | S | S | * | * | trans | -99.2 | 85.5 | -176 | -139 | -89.6 | 0 | 0 | 0 | 108.2 | S563 | Y561-S563 PolarHBondContact O-N 3.29Å; Y561-S563 PolarHBondContact O-OG 3.33Å | ||
| 562 | D | 41.4 | Very low | 46.5 | Very low | 148 Ų | 148 | 134 Ų | 134 | 79% | 0.791 | 74% | 0.744 | S | S | * | * | trans | -60.8 | 129.2 | 177.6 | -159 | -0.3 | 0 | 0 | 0 | 109.4 | E560 | E560-D562 PolarHBondContact O-N 3.14Š| ||
| 563 | S | 41.5 | Very low | 45.8 | Very low | 85 Ų | 85 | 131.4 Ų | 131.4 | 59% | 0.594 | 74% | 0.74 | S | S | * | * | trans | -130 | 70.1 | -161 | -63.3 | 0 | 0 | 0 | 0 | 109.4 | Y561 D565 | Y561-S563 PolarHBondContact O-N 3.29Å; Y561-S563 PolarHBondContact O-OG 3.33Å; S563-D565 PolarHBondContact O-N 3.05Å | ||
| 564 | E | 38.3 | Very low | 45.1 | Very low | 184 Ų | 184 | 131.8 Ų | 131.8 | 86% | 0.86 | 75% | 0.748 | S | S | * | * | trans | -73.8 | 59.4 | -178.7 | 55.8 | 176 | 143.9 | 0 | 0 | 113.6 | E566 | E564-E566 PolarHBondContact O-N 2.97Š| ||
| 565 | D | 38.6 | Very low | 43.8 | Very low | 133 Ų | 133 | 133.1 Ų | 133.1 | 71% | 0.711 | 76% | 0.759 | S | S | * | * | trans | -87.9 | 89 | 166.1 | -89.8 | -49.7 | 0 | 0 | 0 | 110.4 | S563 Q567 | S563-D565 PolarHBondContact O-N 3.05Å; D565-Q567 PolarHBondContact O-N 3.45Å | ||
| 566 | E | 44.1 | Very low | 41.9 | Very low | 197 Ų | 197 | 137.8 Ų | 137.8 | 92% | 0.921 | 78% | 0.782 | S | S | * | * | trans | -70.6 | 74.8 | 170.1 | -74.5 | -155.2 | 119.5 | 0 | 0 | 111.9 | E564 E568 | E564-E566 PolarHBondContact O-N 2.97Å; E566-E568 PolarHBondContact O-N 3.05Å; E566-E568 VanDerWaalsContact O-N 3.17Å | ||
| 567 | Q | 37.7 | Very low | 39.9 | Very low | 164 Ų | 164 | 137.2 Ų | 137.2 | 77% | 0.766 | 79% | 0.788 | S | S | * | * | trans | -75.2 | 97.8 | 167.5 | -74.3 | -177.7 | 57.3 | 0 | 0 | 110.4 | D565 A569 | D565-Q567 PolarHBondContact O-N 3.45Å; Q567-A569 VanDerWaalsContact C-N 3.31Å; Q567-A569 PolarHBondContact O-N 3.04Å | ||
| 568 | E | 35.6 | Very low | 37.6 | Very low | 198 Ų | 198 | 136.8 Ų | 136.8 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -68.3 | 85.6 | 174.9 | -169.2 | 171.4 | -175.9 | 0 | 0 | 111.5 | E566 G570 | E566-E568 PolarHBondContact O-N 3.05Å; E566-E568 VanDerWaalsContact O-N 3.17Å; E568-G570 VanDerWaalsContact C-N 3.35Å; E568-G570 PolarHBondContact O-N 3.27Å | ||
| 569 | A | 35.5 | Very low | 35.9 | Very low | 92 Ų | 92 | 137 Ų | 137 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | trans | -74.3 | 79.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q567 S571 | Q567-A569 VanDerWaalsContact C-N 3.31Å; Q567-A569 PolarHBondContact O-N 3.04Å; A569-S571 PolarHBondContact O-N 3.45Å | ||
| 570 | G | 31.3 | Very low | 34.4 | Very low | 75 Ų | 75 | 134.7 Ų | 134.7 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | trans | -57.8 | 100.2 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | E568 G572 | E568-G570 VanDerWaalsContact C-N 3.35Å; E568-G570 PolarHBondContact O-N 3.27Å; G570-G572 PolarHBondContact O-N 3.38Å | ||
| 571 | S | 30.1 | Very low | 33.1 | Very low | 126 Ų | 126 | 137 Ų | 137 | 88% | 0.881 | 80% | 0.796 | S | S | * | * | trans | -76.4 | 85 | -171.5 | -161.6 | 0 | 0 | 0 | 0 | 113.4 | A569 | A569-S571 PolarHBondContact O-N 3.45Š| ||
| 572 | G | 30.2 | Very low | 33.8 | Very low | 75 Ų | 75 | 133.1 Ų | 133.1 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | trans | -99.2 | 68.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | G570 I574 | G570-G572 PolarHBondContact O-N 3.38Å; G572-I574 PolarHBondContact O-N 3.09Å | ||
| 573 | G | 27.6 | Very low | 33.1 | Very low | 73 Ų | 73 | 129 Ų | 129 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -80.4 | 115.7 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 574 | I | 31 | Very low | 32.6 | Very low | 169 Ų | 169 | 133.3 Ų | 133.3 | 87% | 0.867 | 81% | 0.805 | S | S | * | * | trans | -132.7 | 121.7 | 155.1 | 48.4 | 167.6 | 0 | 0 | 0 | 112.3 | G572 | G572-I574 PolarHBondContact O-N 3.09Š| ||
| 575 | S | 25.7 | Very low | 32.2 | Very low | 115 Ų | 115 | 127.6 Ų | 127.6 | 80% | 0.804 | 80% | 0.796 | S | S | * | * | trans | -85.6 | 164.2 | 157.5 | -42.2 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 576 | I | 28.5 | Very low | 31.9 | Very low | 155 Ų | 155 | 130.6 Ų | 130.6 | 80% | 0.795 | 81% | 0.805 | S | S | * | * | cis | -148.1 | 158.6 | 11.4 | -14.7 | 172 | 0 | 0 | 0 | 105 | ||||
| 577 | T | 28.3 | Very low | 31.5 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | -176.7 | 149.6 | 77.1 | 45.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 578 | S | 25.2 | Very low | 31.2 | Very low | 109 Ų | 109 | 129.9 Ų | 129.9 | 76% | 0.762 | 81% | 0.806 | S | S | * | * | trans | -28 | 147.7 | 157.9 | 56.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 579 | S | 25.5 | Very low | 30.9 | Very low | 117 Ų | 117 | 123.2 Ų | 123.2 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | 177.9 | 149.8 | 91.1 | -168.5 | 0 | 0 | 0 | 0 | 112.9 | |||||
| 580 | C | 26.6 | Very low | 30.6 | Very low | 101 Ų | 101 | 126.4 Ų | 126.4 | 68% | 0.682 | 80% | 0.801 | S | S | * | * | trans | -99.5 | 176.7 | 173.8 | -55.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 581 | Y | 31.3 | Very low | 30.5 | Very low | 231 Ų | 231 | 127.4 Ų | 127.4 | 91% | 0.906 | 80% | 0.801 | S | S | * | * | trans | 83.8 | 153.4 | 162.5 | -67.2 | -58.2 | 0 | 0 | 0 | 119.2 | ||||
| 582 | P | 56.4 | Low | 30.6 | Very low | 126 Ų | 126 | 127.7 Ų | 127.7 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -129.3 | -168.9 | -140.7 | 42.7 | -24.9 | 0 | 0 | 0 | 113.7 | ||||
| 583 | G | 27.4 | Very low | 30.7 | Very low | 63 Ų | 63 | 131.3 Ų | 131.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | -166.4 | 139.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 584 | D | 29.8 | Very low | 30.7 | Very low | 175 Ų | 175 | 131.5 Ų | 131.5 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | 9.7 | 148 | 141.5 | -44.1 | -35.1 | 0 | 0 | 0 | 119.2 | ||||
| 585 | G | 30 | Very low | 30.7 | Very low | 64 Ų | 64 | 134.7 Ų | 134.7 | 66% | 0.66 | 81% | 0.808 | S | S | * | * | cis | 142.1 | 157.4 | 9.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 586 | E | 33.1 | Very low | 32.2 | Very low | 195 Ų | 195 | 133.5 Ų | 133.5 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | 64.8 | 128.9 | 177.5 | -49.4 | -170.5 | 123.1 | 0 | 0 | 116.3 | ||||
| 587 | A | 35.1 | Very low | 32.3 | Very low | 87 Ų | 87 | 137.7 Ų | 137.7 | 72% | 0.719 | 80% | 0.803 | S | S | * | * | cis | 104.9 | 86.5 | 13.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 588 | W | 30.6 | Very low | 32.4 | Very low | 260 Ų | 260 | 135.2 Ų | 135.2 | 99% | 0.985 | 80% | 0.802 | S | S | * | * | trans | -146.5 | 147.1 | 149.7 | -64.4 | 90.4 | 0 | 0 | 0 | 108 | ||||
| 589 | G | 29.4 | Very low | 33.8 | Very low | 57 Ų | 57 | 136 Ų | 136 | 59% | 0.588 | 80% | 0.804 | S | S | * | * | cis | 128.2 | 98.7 | -4.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 590 | T | 29.8 | Very low | 34.8 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 98% | 0.982 | 80% | 0.796 | S | S | * | * | trans | -179.8 | 157.2 | 144.6 | 19.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 591 | A | 30.1 | Very low | 35 | Very low | 95 Ų | 95 | 139 Ų | 139 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -154 | 147.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 592 | T | 31.2 | Very low | 34.9 | Very low | 132 Ų | 132 | 132 Ų | 132 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | trans | -156 | 117.8 | 163.3 | 41.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 593 | V | 32.7 | Very low | 33.6 | Very low | 151 Ų | 151 | 132.7 Ų | 132.7 | 92% | 0.915 | 79% | 0.787 | S | S | * | * | 74.6 | 116.1 | 78.4 | 172.5 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 594 | G | 26.9 | Very low | 33.7 | Very low | 78 Ų | 78 | 135.8 Ų | 135.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | 166.7 | 110.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 595 | R | 32.3 | Very low | 33.6 | Very low | 236 Ų | 236 | 130.9 Ų | 130.9 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | -148.9 | -179.3 | 167.8 | -125.1 | -160.3 | 172.8 | -128.7 | -1.9 | 106.9 | ||||
| 596 | P | 55.6 | Low | 34.3 | Very low | 90 Ų | 90 | 134.1 Ų | 134.1 | 58% | 0.584 | 80% | 0.8 | S | S | * | * | cis | -141.9 | -165.3 | 3.4 | 32.3 | -6.3 | 0 | 0 | 0 | 116.5 | ||||
| 597 | R | 31.6 | Very low | 34.4 | Very low | 243 Ų | 243 | 133.4 Ų | 133.4 | 92% | 0.917 | 79% | 0.794 | S | S | * | * | trans | 85.8 | 145.4 | 163.2 | -48.6 | -179.3 | -172.8 | -153 | 1.1 | 116.6 | ||||
| 598 | G | 29.8 | Very low | 34.9 | Very low | 69 Ų | 69 | 135.4 Ų | 135.4 | 71% | 0.711 | 80% | 0.799 | S | S | * | * | cis | -169.4 | 150.9 | -6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 599 | P | 54.4 | Low | 34.7 | Very low | 125 Ų | 125 | 132.7 Ų | 132.7 | 81% | 0.812 | 79% | 0.79 | S | S | * | * | trans | -100.2 | -159.1 | 179.1 | 44.8 | -39.7 | 0 | 0 | 0 | 111.7 | ||||
| 600 | P | 46 | Very low | 35.6 | Very low | 101 Ų | 101 | 135.5 Ų | 135.5 | 66% | 0.656 | 80% | 0.798 | S | S | * | * | cis | -147.1 | -165.3 | 3.8 | 44 | -22.4 | 0 | 0 | 0 | 118.1 | ||||
| 601 | K | 31.6 | Very low | 35.3 | Very low | 182 Ų | 182 | 138.1 Ų | 138.1 | 79% | 0.791 | 79% | 0.79 | S | S | * | * | trans | 86.2 | 155.4 | 154 | -73.8 | 169.1 | -174.5 | 177.7 | 0 | 119.7 | ||||
| 602 | A | 30 | Very low | 35.3 | Very low | 82 Ų | 82 | 140.5 Ų | 140.5 | 68% | 0.678 | 79% | 0.789 | S | S | * | * | cis | -147 | 139.5 | 3.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 603 | N | 28 | Very low | 35.9 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 79% | 0.788 | S | S | * | * | 78.9 | 108.2 | 82.3 | -65.7 | 13.9 | 0 | 0 | 0 | 117.5 | |||||
| 604 | S | 30 | Very low | 35.7 | Very low | 129 Ų | 129 | 136.8 Ų | 136.8 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | 176.2 | 159.6 | 133.9 | 42 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 605 | G | 28.2 | Very low | 35.6 | Very low | 72 Ų | 72 | 144 Ų | 144 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -135.2 | -158.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 606 | P | 45 | Very low | 35.4 | Very low | 132 Ų | 132 | 138.4 Ų | 138.4 | 86% | 0.857 | 76% | 0.764 | S | S | * | * | cis | -129.7 | -165.7 | 5.6 | 42.8 | -25.6 | 0 | 0 | 0 | 114.3 | ||||
| 607 | K | 34.3 | Very low | 34.2 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -83.1 | 157.3 | 169.9 | -62.6 | -176.4 | 177.8 | -178.6 | 0 | 112 | ||||
| 608 | P | 45.2 | Very low | 33.9 | Very low | 128 Ų | 128 | 135.1 Ų | 135.1 | 83% | 0.831 | 77% | 0.771 | S | S | * | * | -145.4 | -178.8 | 97.8 | 38.3 | -21.7 | 0 | 0 | 0 | 116.5 | |||||
| 609 | Y | 27.5 | Very low | 33.7 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 80% | 0.796 | 78% | 0.778 | S | S | * | * | trans | -78 | -179.1 | 174.7 | -76.4 | -85.2 | 0 | 0 | 0 | 112.7 | ||||
| 610 | P | 46.6 | Very low | 33.4 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 77% | 0.77 | S | S | * | * | cis | -144.3 | 168.4 | 14.9 | 43.6 | -23.7 | 0 | 0 | 0 | 120.9 | ||||
| 611 | R | 24.7 | Very low | 32.7 | Very low | 215 Ų | 215 | 140.7 Ų | 140.7 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | 27 | 131.7 | 146.7 | -75.1 | -168.5 | 179.3 | -85.3 | 3.7 | 124.7 | ||||
| 612 | L | 28.8 | Very low | 32.6 | Very low | 144 Ų | 144 | 139.7 Ų | 139.7 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | 69.3 | 165.7 | 138.1 | -64.6 | 174.2 | 0 | 0 | 0 | 118.4 | ||||
| 613 | P | 43.7 | Very low | 32.7 | Very low | 122 Ų | 122 | 145.8 Ų | 145.8 | 79% | 0.792 | 76% | 0.764 | S | S | * | * | cis | -121.4 | -154 | -0.1 | 43.7 | -28.7 | 0 | 0 | 0 | 114 | ||||
| 614 | A | 28.7 | Very low | 32.8 | Very low | 84 Ų | 84 | 142.6 Ų | 142.6 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -115.9 | -168.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 615 | W | 26 | Very low | 33 | Very low | 230 Ų | 230 | 147.5 Ų | 147.5 | 87% | 0.871 | 76% | 0.763 | S | S | * | * | trans | 73 | 155.8 | 177 | 129.3 | -61.3 | 0 | 0 | 0 | 115.7 | ||||
| 616 | E | 28.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 149 Ų | 149 | 55% | 0.547 | 76% | 0.762 | S | S | . | * | cis | -166.7 | 169.3 | -33.3 | -146.2 | -167.9 | 120 | 0 | 0 | 109.7 | ||||
| 617 | K | 29.2 | Very low | 33 | Very low | 182 Ų | 182 | 146.9 Ų | 146.9 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | trans | 35.1 | 120.7 | 161.4 | -76.3 | 171.9 | -175.8 | -63.4 | 0 | 120.6 | ||||
| 618 | G | 25.7 | Very low | 33 | Very low | 83 Ų | 83 | 145.5 Ų | 145.5 | 86% | 0.856 | 76% | 0.763 | S | S | * | * | trans | -176.2 | 103.4 | 160.4 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 619 | E | 25.9 | Very low | 32.4 | Very low | 183 Ų | 183 | 142.8 Ų | 142.8 | 86% | 0.855 | 76% | 0.757 | S | S | * | * | trans | -89 | 173.7 | 161.1 | -115.3 | -145.8 | 122.3 | 0 | 0 | 109.9 | ||||
| 620 | P | 48 | Very low | 32.5 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 65% | 0.649 | 77% | 0.765 | S | S | * | * | cis | -141 | -179.4 | 8.3 | 39.9 | -19.9 | 0 | 0 | 0 | 117.6 | ||||
| 621 | E | 31 | Very low | 31.8 | Very low | 128 Ų | 128 | 143.6 Ų | 143.6 | 60% | 0.598 | 76% | 0.762 | S | S | * | * | trans | 78 | 150.5 | 138.2 | -103.9 | -133 | 96.2 | 0 | 0 | 125.8 | ||||
| 622 | R | 30.9 | Very low | 32 | Very low | 161 Ų | 161 | 143.5 Ų | 143.5 | 61% | 0.608 | 77% | 0.767 | S | S | * | * | trans | 80.8 | 96.5 | 155.9 | -67 | -156.7 | -165.6 | -54.7 | -11.9 | 124.4 | ||||
| 623 | R | 31.8 | Very low | 32.1 | Very low | 211 Ų | 211 | 143.9 Ų | 143.9 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | 68.1 | 114.5 | 105.5 | -174.4 | -157.8 | -63.6 | -105.2 | 5.4 | 120.5 | |||||
| 624 | G | 29.7 | Very low | 32.1 | Very low | 73 Ų | 73 | 143.7 Ų | 143.7 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | -176.8 | 74.9 | 163.4 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 625 | R | 33.2 | Very low | 32 | Very low | 232 Ų | 232 | 146.2 Ų | 146.2 | 88% | 0.875 | 77% | 0.765 | S | S | * | * | trans | 50 | 110.7 | 143.6 | -62.5 | -179 | -176.2 | -87.6 | 4.3 | 123.3 | ||||
| 626 | S | 34.3 | Very low | 32.1 | Very low | 104 Ų | 104 | 140.3 Ų | 140.3 | 73% | 0.727 | 76% | 0.759 | S | S | * | * | 24.9 | 147.9 | 111.7 | 61.8 | 0 | 0 | 0 | 0 | 121.9 | |||||
| 627 | A | 39.7 | Very low | 32 | Very low | 87 Ų | 87 | 145.9 Ų | 145.9 | 72% | 0.719 | 78% | 0.775 | S | S | * | * | cis | -176.7 | 170.9 | -2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 628 | T | 34.7 | Very low | 31.9 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 93% | 0.933 | 77% | 0.771 | S | S | * | * | 169.6 | 162.6 | 129.3 | 30.4 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 629 | G | 32.3 | Very low | 32 | Very low | 70 Ų | 70 | 143 Ų | 143 | 72% | 0.722 | 77% | 0.765 | S | S | * | * | cis | 176.3 | -7.4 | -8.1 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 630 | R | 29.3 | Very low | 32.2 | Very low | 254 Ų | 254 | 142.9 Ų | 142.9 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | trans | -154.2 | 157.4 | 179.4 | -89.2 | -167.3 | 172.3 | -158.9 | 0.1 | 114.3 | ||||
| 631 | A | 31.6 | Very low | 31.5 | Very low | 84 Ų | 84 | 145.1 Ų | 145.1 | 69% | 0.694 | 78% | 0.776 | S | S | * | * | cis | -177.5 | 145.4 | -34.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 632 | K | 30.4 | Very low | 31.4 | Very low | 212 Ų | 212 | 142.6 Ų | 142.6 | 92% | 0.922 | 79% | 0.785 | S | S | * | * | trans | 84.3 | 133.8 | 165.2 | -64.9 | -164.2 | 172.7 | -168.4 | 0 | 120.7 | ||||
| 633 | E | 30.6 | Very low | 31.5 | Very low | 152 Ų | 152 | 144.2 Ų | 144.2 | 71% | 0.71 | 80% | 0.799 | S | S | * | * | trans | -101.3 | 173.7 | 165 | -154 | -157 | 105.6 | 0 | 0 | 108.9 | L635 | E633-L635 PolarHBondContact OE1-N 2.87Š| ||
| 634 | P | 43 | Very low | 31.5 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 80% | 0.796 | S | S | * | * | -153.7 | 143.1 | 84.5 | 38.7 | -18.7 | 0 | 0 | 0 | 119 | |||||
| 635 | L | 26.5 | Very low | 31.7 | Very low | 136 Ų | 136 | 147.2 Ų | 147.2 | 71% | 0.712 | 81% | 0.807 | S | S | * | * | 56.9 | 105 | 129 | -160 | 70.7 | 0 | 0 | 0 | 123.6 | E633 | E633-L635 PolarHBondContact OE1-N 2.87Š| |||
| 636 | S | 28.4 | Very low | 31.6 | Very low | 106 Ų | 106 | 140 Ų | 140 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | 14.4 | 146.6 | 128.7 | -42.3 | 0 | 0 | 0 | 0 | 124.8 | |||||
| 637 | R | 27 | Very low | 31.6 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 81% | 0.809 | S | S | * | * | trans | -156.9 | 109.6 | 143.7 | -174.1 | 162.9 | -75.2 | -129.9 | -6.5 | 109.1 | ||||
| 638 | A | 26 | Very low | 31.2 | Very low | 85 Ų | 85 | 146.4 Ų | 146.4 | 70% | 0.702 | 81% | 0.813 | S | S | * | * | 69.5 | 152.5 | 96.2 | 0 | 0 | 0 | 0 | 0 | 114 | |||||
| 639 | T | 28.4 | Very low | 31.2 | Very low | 119 Ų | 119 | 142 Ų | 142 | 73% | 0.73 | 80% | 0.798 | S | S | * | * | cis | -150.6 | 121.8 | 23.5 | -53.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 640 | E | 29.4 | Very low | 31.3 | Very low | 181 Ų | 181 | 145.3 Ų | 145.3 | 85% | 0.846 | 81% | 0.81 | S | S | * | * | 74.2 | 135.1 | 79.7 | -149.8 | 170.7 | -151.4 | 0 | 0 | 115 | |||||
| 641 | T | 34 | Very low | 31.5 | Very low | 146 Ų | 146 | 136.5 Ų | 136.5 | 90% | 0.896 | 80% | 0.799 | S | S | * | * | trans | -85.2 | 174.3 | -176.1 | 44.5 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 642 | G | 28.7 | Very low | 31.6 | Very low | 75 Ų | 75 | 143.6 Ų | 143.6 | 77% | 0.773 | 81% | 0.807 | S | S | * | * | trans | -154.7 | 133.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 643 | E | 32.6 | Very low | 31.7 | Very low | 196 Ų | 196 | 145 Ų | 145 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | trans | -152 | 162.9 | 158.4 | -99.7 | -149.5 | 95.6 | 0 | 0 | 110.8 | ||||
| 644 | A | 32.4 | Very low | 31.7 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 81% | 0.806 | S | S | * | * | trans | 55.3 | 78.5 | 160.3 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 645 | R | 33.3 | Very low | 31.8 | Very low | 257 Ų | 257 | 140.9 Ų | 140.9 | 97% | 0.97 | 81% | 0.806 | S | S | * | * | 36.8 | 110 | 117.3 | -167.8 | -173.9 | -163.4 | -178.4 | 6.2 | 119.2 | |||||
| 646 | G | 31.3 | Very low | 32.2 | Very low | 81 Ų | 81 | 141.9 Ų | 141.9 | 84% | 0.835 | 81% | 0.806 | S | S | * | * | trans | -169 | 156.2 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 647 | Q | 33.5 | Very low | 32.4 | Very low | 176 Ų | 176 | 145.3 Ų | 145.3 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -129.2 | 145.9 | -168.9 | -137.7 | 176.1 | -10.7 | 0 | 0 | 112.8 | ||||
| 648 | D | 32.9 | Very low | 32.8 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 81% | 0.811 | S | S | * | * | trans | 58.7 | 153.9 | 163 | -53.3 | -26.6 | 0 | 0 | 0 | 119.5 | ||||
| 649 | G | 34.1 | Very low | 33 | Very low | 60 Ų | 60 | 145.7 Ų | 145.7 | 62% | 0.619 | 81% | 0.814 | S | S | * | * | cis | 173.6 | 129.8 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 650 | S | 34.6 | Very low | 33.3 | Very low | 138 Ų | 138 | 147 Ų | 147 | 97% | 0.965 | 82% | 0.822 | S | S | * | * | trans | 67.5 | 173.2 | 172.8 | 85.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 651 | G | 33 | Very low | 33.7 | Very low | 70 Ų | 70 | 149 Ų | 149 | 72% | 0.722 | 82% | 0.822 | S | S | * | * | trans | 173.9 | -85.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 652 | R | 34.2 | Very low | 33.5 | Very low | 232 Ų | 232 | 148.9 Ų | 148.9 | 88% | 0.875 | 82% | 0.82 | S | S | * | * | trans | 55 | 95.7 | -173.1 | -75.4 | 180 | 160.4 | -100.4 | 5.1 | 117.7 | ||||
| 653 | R | 32.7 | Very low | 33.5 | Very low | 243 Ų | 243 | 152.4 Ų | 152.4 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | 166 | 149.6 | 118.2 | -95.7 | 172.9 | -86 | -146 | 1.3 | 113.3 | |||||
| 654 | G | 29.4 | Very low | 33.4 | Very low | 67 Ų | 67 | 154 Ų | 154 | 69% | 0.691 | 82% | 0.818 | S | S | * | * | trans | -106.5 | -156.3 | 157.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 655 | P | 45.8 | Very low | 33.4 | Very low | 117 Ų | 117 | 155.4 Ų | 155.4 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | cis | -145.2 | -178.2 | 8.3 | 44 | -25.3 | 0 | 0 | 0 | 117.3 | ||||
| 656 | Q | 34 | Very low | 33 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 73% | 0.729 | 81% | 0.812 | S | S | * | * | trans | 67.5 | 106.7 | 144.3 | -73.7 | -110.2 | -12.9 | 0 | 0 | 122 | ||||
| 657 | K | 34.2 | Very low | 33.2 | Very low | 178 Ų | 178 | 151 Ų | 151 | 77% | 0.774 | 81% | 0.81 | S | S | * | * | 152.5 | 121.1 | 105.1 | -91.9 | 160.5 | -178.1 | 178.3 | 0 | 117.7 | |||||
| 658 | R | 34.7 | Very low | 33.1 | Very low | 254 Ų | 254 | 146.8 Ų | 146.8 | 96% | 0.958 | 81% | 0.805 | S | S | * | * | trans | 52.5 | 129.4 | 137.6 | -76.2 | -169.6 | 169.7 | -155.9 | -2.1 | 123.5 | ||||
| 659 | G | 30.4 | Very low | 33 | Very low | 74 Ų | 74 | 148.7 Ų | 148.7 | 76% | 0.763 | 81% | 0.81 | S | S | * | * | trans | 126 | 134.9 | 155.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 660 | V | 35 | Very low | 33 | Very low | 146 Ų | 146 | 153.9 Ų | 153.9 | 89% | 0.885 | 82% | 0.822 | S | S | * | * | cis | -142.8 | 160.6 | -7.5 | 173.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 661 | R | 36.3 | Very low | 32.9 | Very low | 224 Ų | 224 | 153.4 Ų | 153.4 | 85% | 0.845 | 81% | 0.813 | S | S | * | * | trans | -95 | 137.8 | 174.3 | -69.3 | -175.4 | -176.3 | -119.1 | 6 | 112.2 | ||||
| 662 | V | 30.7 | Very low | 32.8 | Very low | 143 Ų | 143 | 155.8 Ų | 155.8 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -135 | 152.9 | 147.8 | -179 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 663 | L | 28.7 | Very low | 32.5 | Very low | 149 Ų | 149 | 149.1 Ų | 149.1 | 78% | 0.78 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -88 | 151.4 | -170.1 | -102.7 | 60.6 | 0 | 0 | 0 | 114.2 | ||
| 664 | R | 30.3 | Very low | 32.8 | Very low | 230 Ų | 230 | 145.9 Ų | 145.9 | 87% | 0.868 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -90.1 | 143.5 | 160.1 | -93.7 | -87.6 | -175.6 | 145 | -2.1 | 109.5 | ||
| 665 | P | 31.7 | Very low | 32.8 | Very low | 118 Ų | 118 | 146 Ų | 146 | 77% | 0.766 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 152.6 | 152.5 | -17.2 | 32.2 | 0 | 0 | 0 | 110.7 | ||
| 666 | S | 26.5 | Very low | 32.4 | Very low | 117 Ų | 117 | 145.7 Ų | 145.7 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -84 | 154 | -177.4 | -172.5 | 0 | 0 | 0 | 0 | 112.8 | ||
| 667 | T | 35.3 | Very low | 32.4 | Very low | 129 Ų | 129 | 141.9 Ų | 141.9 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 142.2 | 159.9 | -51.1 | 0 | 0 | 0 | 0 | 111.6 | ||
| 668 | A | 31.3 | Very low | 32.9 | Very low | 87 Ų | 87 | 138.4 Ų | 138.4 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | -125.1 | 168.6 | 152.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 669 | E | 30.6 | Very low | 33.3 | Very low | 190 Ų | 190 | 131.2 Ų | 131.2 | 89% | 0.888 | 75% | 0.748 | S | S | * | * | trans | -64.4 | 155 | -158.5 | -75.6 | 153.4 | 93.4 | 0 | 0 | 117.2 | ||||
| 670 | L | 34.1 | Very low | 34.1 | Very low | 170 Ų | 170 | 134.1 Ų | 134.1 | 89% | 0.89 | 75% | 0.745 | S | S | * | * | trans | -88.5 | 105.5 | 172.9 | -70.1 | 167.5 | 0 | 0 | 0 | 109.9 | ||||
| 671 | V | 31.2 | Very low | 34.9 | Very low | 127 Ų | 127 | 129.7 Ų | 129.7 | 77% | 0.77 | 73% | 0.725 | S | S | * | * | trans | -80.9 | 136.9 | 152.8 | -179.5 | 0 | 0 | 0 | 0 | 107.4 | A673 | V671-A673 PolarHBondContact O-N 2.9Å; V671-A673 VanDerWaalsContact O-N 3.09Å | ||
| 672 | P | 31.8 | Very low | 35.8 | Very low | 120 Ų | 120 | 121.3 Ų | 121.3 | 78% | 0.779 | 69% | 0.693 | S | S | * | * | trans | -61 | 113.1 | 172 | -21.6 | 33.5 | 0 | 0 | 0 | 110.1 | R674 | P672-R674 PolarHBondContact O-N 3.38Š| ||
| 673 | A | 28.1 | Very low | 37 | Very low | 93 Ų | 93 | 121.3 Ų | 121.3 | 77% | 0.769 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 125.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | V671 S675 | V671-A673 PolarHBondContact O-N 2.9Å; V671-A673 VanDerWaalsContact O-N 3.09Å; A673-S675 PolarHBondContact O-N 3.35Å |
| 674 | R | 38.5 | Very low | 38.4 | Very low | 175 Ų | 175 | 123 Ų | 123 | 66% | 0.66 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -48.7 | 130.2 | 161.3 | -82.2 | 176 | 162.6 | 160.9 | -13.6 | 107.8 | P672 E709 E710 | P672-R674 PolarHBondContact O-N 3.38Å; R674-E709 IonicContact CZ-OE1 3.47Å; R674-E709 IonicContact NH1-OE1 2.76Å; R674-E709 PolarHBondContact NH1-OE1 3.01Å; R674-E709 IonicContact NH2-OE1 3.35Å; R674-E710 IonicContact CZ-OE1 3.32Å; R674-E710 VanDerWaalsContact CZ-OE1 3.31Å; R674-E710 IonicContact NH1-OE1 2.69Å; R674-E710 PolarHBondContact NH1-OE1 2.68Å; R674-E710 IonicContact NH2-OE1 2.74Å; R674-E710 PolarHBondContact NH2-OE1 3.42Å |
| 675 | S | 29.7 | Very low | 40.6 | Very low | 70 Ų | 70 | 115.5 Ų | 115.5 | 49% | 0.49 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -65.9 | 141 | -167.5 | 58.9 | 0 | 0 | 0 | 0 | 111.8 | A673 S677 | A673-S675 PolarHBondContact O-N 3.35Å; S675-S677 WeakPolarHBondContact CB-OG 3.16Å; S675-S677 PolarHBondContact O-N 3.04Å; S675-S677 PolarHBondContact OG-OG 2.85Å |
| 676 | P | 37.3 | Very low | 42.8 | Very low | 109 Ų | 109 | 113.9 Ų | 113.9 | 71% | 0.708 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 33.9 | -179.4 | 34.8 | -38.7 | 0 | 0 | 0 | 113.3 | ||
| 677 | S | 34.6 | Very low | 45.8 | Very low | 77 Ų | 77 | 111.4 Ų | 111.4 | 54% | 0.538 | 63% | 0.633 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -38.8 | -171.4 | -52.5 | 0 | 0 | 0 | 0 | 111.9 | S675 | S675-S677 WeakPolarHBondContact CB-OG 3.16Å; S675-S677 PolarHBondContact O-N 3.04Å; S675-S677 PolarHBondContact OG-OG 2.85Å |
| 678 | E | 43.4 | Very low | 48.5 | Very low | 105 Ų | 105 | 107.6 Ų | 107.6 | 49% | 0.491 | 60% | 0.604 | S | S | . | * | G | 310 helix | trans | -72 | -36.3 | -174.9 | -70.5 | 163.8 | 100.5 | 0 | 0 | 112.3 | L680 A681 Y682 | E678-L680 PolarHBondContact O-N 3.15Å; E678-A681 WeakPolarHBondContact O-CB 3.29Å; E678-A681 PolarHBondContact O-N 2.98Å; E678-Y682 HydrophobicContact CB-CE2 4.19Å; E678-Y682 WeakPolarHBondContact O-CD2 3.43Å; E678-Y682 WeakPolarHBondContact O-CE2 3.48Å |
| 679 | T | 43.1 | Very low | 51.5 | Low | 103 Ų | 103 | 103.6 Ų | 103.6 | 63% | 0.632 | 57% | 0.571 | S | S | * | * | G | 310 helix | trans | -60.7 | -16.4 | -177.1 | -32.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 680 | L | 47 | Very low | 54.5 | Low | 134 Ų | 134 | 94.7 Ų | 94.7 | 70% | 0.702 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -91.9 | -16.1 | 174.9 | -68.3 | 176.6 | 0 | 0 | 0 | 114.1 | E678 | E678-L680 PolarHBondContact O-N 3.15Š|
| 681 | A | 53.9 | Low | 57.5 | Low | 54 Ų | 54 | 86.8 Ų | 86.8 | 45% | 0.446 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -45.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E678 Q683 L685 | E678-A681 WeakPolarHBondContact O-CB 3.29Å; E678-A681 PolarHBondContact O-N 2.98Å; A681-Q683 PolarHBondContact O-N 3.07Å; A681-Q683 VanDerWaalsContact O-N 3.14Å; A681-L685 WeakPolarHBondContact O-CD1 3.19Å |
| 682 | Y | 55 | Low | 60.5 | Low | 48 Ų | 48 | 80.9 Ų | 80.9 | 19% | 0.188 | 45% | 0.452 | C | S | . | . | G | 310 helix | trans | -69.5 | -12.3 | -174.3 | -51.1 | -73.6 | 0 | 0 | 0 | 114.7 | E678 H684 L685 F723 Q733 | E678-Y682 HydrophobicContact CB-CE2 4.19Å; E678-Y682 WeakPolarHBondContact O-CD2 3.43Å; E678-Y682 WeakPolarHBondContact O-CE2 3.48Å; Y682-H684 PolarHBondContact O-N 2.79Å; Y682-L685 HydrophobicContact CD1-CD1 4.39Å; Y682-L685 PolarHBondContact O-N 2.68Å; Y682-F723 HydrophobicContact CD1-CB 3.98Å; Y682-F723 HydrophobicContact CG-CB 4.44Å; Y682-Q733 HydrophobicContact CE1-CB 4.4Å; Y682-Q733 HydrophobicContact CE1-CG 4.16Å; Y682-Q733 VanDerWaalsContact OH-CD 3.23Å; Y682-Q733 PolarHBondContact OH-NE2 3.33Å; Y682-Q733 PolarHBondContact OH-OE1 3.01Å |
| 683 | Q | 55.6 | Low | 63.5 | Low | 143 Ų | 143 | 76.6 Ų | 76.6 | 67% | 0.668 | 42% | 0.423 | S | S | * | . | G | 310 helix | trans | -65.3 | -10.7 | -176.9 | -64.7 | -71.2 | 88.2 | 0 | 0 | 114.3 | A681 | A681-Q683 PolarHBondContact O-N 3.07Å; A681-Q683 VanDerWaalsContact O-N 3.14Å |
| 684 | H | 58.3 | Low | 66.6 | Low | 185 Ų | 185 | 74.8 Ų | 74.8 | 86% | 0.856 | 40% | 0.398 | S | S | * | . | G | 310 helix | trans | -121.7 | -3.2 | 178.9 | -91 | -74.6 | 0 | 0 | 0 | 115.1 | Y682 | Y682-H684 PolarHBondContact O-N 2.79Š|
| 685 | L | 74.8 | Confident | 69.3 | Low | 71 Ų | 71 | 70.7 Ų | 70.7 | 37% | 0.372 | 39% | 0.389 | S | S | . | . | S | Bend | trans | -78.8 | 152.5 | 175.9 | -77.1 | 98.8 | 0 | 0 | 0 | 111.4 | A681 Y682 V687 F723 | A681-L685 WeakPolarHBondContact O-CD1 3.19Å; Y682-L685 HydrophobicContact CD1-CD1 4.39Å; Y682-L685 PolarHBondContact O-N 2.68Å; L685-V687 PolarHBondContact O-N 3.17Å; L685-F723 HydrophobicContact CB-CB 4.5Å |
| 686 | P | 79.8 | Confident | 72.4 | Confident | 85 Ų | 85 | 68 Ų | 68 | 55% | 0.552 | 37% | 0.368 | S | S | * | . | trans | -63.8 | 121.4 | 175.9 | 26.5 | -33.9 | 0 | 0 | 0 | 110.4 | R688 G724 | P686-R688 PolarHBondContact O-N 2.9Å; P686-G724 PolarHBondContact O-N 3.41Å | ||
| 687 | V | 88.4 | Confident | 75.1 | Confident | 64 Ų | 64 | 66 Ų | 66 | 39% | 0.388 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 106.4 | 174.3 | -172.1 | 0 | 0 | 0 | 0 | 109.3 | L685 K721 V722 F723 | L685-V687 PolarHBondContact O-N 3.17Å; V687-K721 HydrophobicContact CG1-CB 4.05Å; V687-K721 HydrophobicContact CG1-CG 4.22Å; V687-V722 WeakPolarHBondContact CA-O 3.06Å; V687-F723 HydrophobicContact CG1-CE1 4.35Å; V687-F723 HydrophobicContact CG2-CD1 3.9Å; V687-F723 HydrophobicContact CG2-CE1 3.87Å |
| 688 | R | 91.9 | Very high | 77.9 | Confident | 50 Ų | 50 | 62.4 Ų | 62.4 | 19% | 0.189 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | 156.2 | 174.3 | -64.4 | 158.7 | 78.1 | 170.6 | 11.3 | 109.7 | P686 F690 V722 G724 D725 E750 | P686-R688 PolarHBondContact O-N 2.9Å; R688-F690 HydrophobicContact CB-CD2 4.13Å; R688-F690 HydrophobicContact CB-CE2 3.73Å; R688-V722 HydrophobicContact CB-CB 4.34Å; R688-V722 PolarHBondContact N-O 3.15Å; R688-V722 PolarHBondContact O-N 2.72Å; R688-G724 VanDerWaalsContact CD-O 3.22Å; R688-G724 WeakPolarHBondContact CD-O 3.35Å; R688-G724 PolarHBondContact NH1-O 2.77Å; R688-D725 IonicContact CZ-OD1 3.29Å; R688-D725 IonicContact NH1-OD1 3.97Å; R688-D725 PolarHBondContact NH1-OD1 2.83Å; R688-E750 WeakPolarHBondContact CB-OE1 3.21Å; R688-E750 WeakPolarHBondContact CG-OE1 3.27Å; R688-E750 IonicContact CZ-OE1 3.55Å; R688-E750 IonicContact CZ-OE2 3.94Å; R688-E750 IonicContact NE-OE1 2.75Å; R688-E750 PolarHBondContact NE-OE1 3.36Å; R688-E750 IonicContact NE-OE2 3.46Å; R688-E750 PolarHBondContact NE-OE2 2.78Å; R688-E750 IonicContact NH2-OE1 2.73Å; R688-E750 IonicContact NH2-OE2 2.63Å; R688-E750 PolarHBondContact NH2-OE2 2.78Å |
| 689 | I | 93.7 | Very high | 80.1 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.015 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 125.7 | 177.9 | -55.1 | -59.3 | 0 | 0 | 0 | 108.1 | I719 V751 R759 L762 L763 | I689-I719 HydrophobicContact CG2-CG2 3.77Å; I689-V751 HydrophobicContact CG2-CB 4.32Å; I689-V751 PolarHBondContact O-N 2.87Å; I689-R759 HydrophobicContact CD1-CB 4.26Å; I689-R759 HydrophobicContact CG1-CB 3.93Å; I689-R759 HydrophobicContact CG1-CG 3.74Å; I689-L762 HydrophobicContact CG2-CB 4.43Å; I689-L762 HydrophobicContact CG2-CD1 4.01Å; I689-L763 HydrophobicContact CD1-CD1 3.88Å; I689-L763 HydrophobicContact CD1-CD2 3.93Å; I689-L763 HydrophobicContact CD1-CG 3.85Å |
| 690 | F | 95 | Very high | 82.5 | Confident | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.009 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 153.4 | 176.2 | -79.5 | -110.4 | 0 | 0 | 0 | 109.8 | R688 L720 V722 Y732 V748 A749 E750 | R688-F690 HydrophobicContact CB-CD2 4.13Å; R688-F690 HydrophobicContact CB-CE2 3.73Å; F690-L720 HydrophobicContact CB-CB 4.42Å; F690-L720 PolarHBondContact N-O 3.05Å; F690-L720 PolarHBondContact O-N 2.9Å; F690-V722 HydrophobicContact CB-CG2 4.23Å; F690-V722 HydrophobicContact CD2-CB 3.58Å; F690-V722 HydrophobicContact CD2-CG1 4.33Å; F690-V722 HydrophobicContact CD2-CG2 3.38Å; F690-V722 HydrophobicContact CE2-CB 3.67Å; F690-V722 HydrophobicContact CE2-CG1 3.92Å; F690-V722 HydrophobicContact CE2-CG2 3.79Å; F690-V722 HydrophobicContact CG-CB 4.49Å; F690-V722 HydrophobicContact CG-CG2 3.81Å; F690-Y732 HydrophobicContact CD1-CE2 4.49Å; F690-Y732 HydrophobicContact CE1-CD2 4.27Å; F690-Y732 AromaticContact CE1-CE2 3.68Å; F690-Y732 HydrophobicContact CE1-CE2 3.68Å; F690-Y732 AromaticContact CE1-CZ 3.87Å; F690-Y732 HydrophobicContact CZ-CE1 4.11Å; F690-Y732 HydrophobicContact CZ-CE2 4.02Å; F690-Y732 AromaticContact CZ-CZ 3.81Å; F690-V748 HydrophobicContact CB-CB 4.35Å; F690-V748 HydrophobicContact CD1-CB 3.95Å; F690-V748 HydrophobicContact CD1-CG2 3.65Å; F690-V748 HydrophobicContact CE1-CG2 4.19Å; F690-A749 CarbonylContact C-O 3.59Å; F690-A749 VanDerWaalsContact CA-O 3.25Å; F690-A749 WeakPolarHBondContact CA-O 3.25Å; F690-A749 VanDerWaalsContact CD1-C 3.41Å; F690-A749 WeakPolarHBondContact CD1-O 2.97Å; F690-E750 HydrophobicContact CD1-CB 4.17Å; F690-E750 HydrophobicContact CD2-CB 4.48Å; F690-E750 HydrophobicContact CD2-CG 4.48Å; F690-E750 HydrophobicContact CE1-CB 3.73Å; F690-E750 HydrophobicContact CE2-CB 4.07Å; F690-E750 HydrophobicContact CE2-CG 4.05Å; F690-E750 HydrophobicContact CZ-CB 3.69Å; F690-E750 HydrophobicContact CZ-CG 4.12Å |
| 691 | V | 95.5 | Very high | 84.6 | Confident | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.024 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 134.5 | 168.4 | 64.2 | 0 | 0 | 0 | 0 | 108.6 | I719 V748 A749 V751 L768 L773 | V691-I719 HydrophobicContact CB-CD1 4.02Å; V691-I719 HydrophobicContact CG2-CD1 4.15Å; V691-V748 CarbonylContact O-C 3.59Å; V691-V748 WeakPolarHBondContact O-CA 3.42Å; V691-A749 HydrophobicContact CG1-CB 4.33Å; V691-A749 PolarHBondContact N-O 3.34Å; V691-A749 PolarHBondContact O-N 3.19Å; V691-V751 HydrophobicContact CB-CG2 3.81Å; V691-V751 HydrophobicContact CG1-CG2 3.67Å; V691-L768 HydrophobicContact CG2-CB 4.21Å; V691-L773 HydrophobicContact CG1-CD1 3.92Å |
| 692 | A | 96.1 | Very high | 86.3 | Confident | 3 Ų | 3 | 58.1 Ų | 58.1 | 3% | 0.025 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 130.9 | 172 | 0 | 0 | 0 | 0 | 0 | 110.7 | F714 R715 G717 Q718 L720 | A692-F714 HydrophobicContact CB-CD2 3.41Å; A692-F714 VanDerWaalsContact CB-CD2 3.41Å; A692-F714 HydrophobicContact CB-CE2 3.76Å; A692-F714 HydrophobicContact CB-CG 4.32Å; A692-R715 WeakPolarHBondContact CB-O 3.43Å; A692-G717 PolarHBondContact O-N 2.78Å; A692-Q718 HydrophobicContact CB-CB 4.46Å; A692-Q718 PolarHBondContact N-O 3.38Å; A692-L720 HydrophobicContact CB-CD1 4.32Å |
| 693 | L | 93.8 | Very high | 87.8 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 16% | 0.162 | 33% | 0.327 | C | S | . | . | S | Bend | trans | -86.3 | -21.2 | 176.6 | -62.8 | -179.5 | 0 | 0 | 0 | 112.5 | M747 A749 | L693-M747 PolarHBondContact N-O 2.99Å; L693-A749 HydrophobicContact CD1-CB 4.19Å; L693-A749 HydrophobicContact CD2-CB 3.89Å; L693-A749 HydrophobicContact CG-CB 4.14Å |
| 694 | F | 93.1 | Very high | 89.2 | Confident | 54 Ų | 54 | 57.1 Ų | 57.1 | 24% | 0.237 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -144.7 | 163.5 | -176.6 | -53.4 | -69.9 | 0 | 0 | 0 | 110.6 | E716 M747 | F694-E716 PolarHBondContact O-N 2.84Å; F694-M747 HydrophobicContact CD2-SD 4.18Å |
| 695 | D | 94.8 | Very high | 90.4 | Very high | 90 Ų | 90 | 54.8 Ų | 54.8 | 48% | 0.481 | 32% | 0.316 | S | S | . | . | trans | -65.1 | 138.9 | 165.7 | -87.6 | 2.2 | 0 | 0 | 0 | 110.6 | M701 R715 E716 | D695-M701 WeakPolarHBondContact O-CE 3.47Å; D695-R715 WeakPolarHBondContact OD1-CA 3.31Å; D695-R715 WeakPolarHBondContact OD1-CB 3.13Å; D695-R715 WeakPolarHBondContact OD1-CG 3.48Å; D695-E716 PolarHBondContact OD1-N 3.41Å | ||
| 696 | Y | 94.9 | Very high | 91 | Very high | 12 Ų | 12 | 55.1 Ų | 55.1 | 5% | 0.047 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -132.2 | 116.6 | 174 | -164 | -113.9 | 0 | 0 | 0 | 112.6 | P698 M701 E711 P713 F714 P744 M747 | Y696-P698 HydrophobicContact CD1-CG 4.07Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.77Å; Y696-M701 HydrophobicContact CD2-CE 4.13Å; Y696-M701 HydrophobicContact CE2-CB 4.06Å; Y696-E711 WeakPolarHBondContact CE1-OE2 3.42Å; Y696-E711 PolarHBondContact OH-OE2 2.96Å; Y696-P713 CarbonylContact O-C 3.48Å; Y696-P713 VanDerWaalsContact O-CA 3.22Å; Y696-P713 WeakPolarHBondContact O-CA 3.47Å; Y696-P713 WeakPolarHBondContact O-CB 3.45Å; Y696-F714 VanDerWaalsContact CB-CZ 3.44Å; Y696-F714 AromaticContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CZ 4.1Å; Y696-F714 HydrophobicContact CG-CE1 4.2Å; Y696-F714 HydrophobicContact CG-CE2 4.32Å; Y696-F714 AromaticContact CG-CZ 3.91Å; Y696-F714 HydrophobicContact CG-CZ 3.91Å; Y696-F714 PolarHBondContact N-O 3.4Å; Y696-F714 PolarHBondContact O-N 3.4Å; Y696-F714 VanDerWaalsContact O-O 3.07Å; Y696-P744 HydrophobicContact CD1-CG 4.32Å; Y696-P744 HydrophobicContact CE1-CG 3.74Å; Y696-P744 HydrophobicContact CE2-CG 4Å; Y696-M747 HydrophobicContact CD2-CE 3.95Å; Y696-M747 HydrophobicContact CD2-CG 4.19Å; Y696-M747 HydrophobicContact CD2-SD 4.39Å; Y696-M747 HydrophobicContact CE2-CE 3.96Å |
| 697 | D | 94.7 | Very high | 91.5 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 36% | 0.358 | 29% | 0.293 | S | S | . | . | trans | -117.9 | 106.5 | 169 | 170.9 | 38.6 | 0 | 0 | 0 | 108.9 | V699 S700 M701 | D697-V699 PolarHBondContact O-N 2.89Å; D697-V699 PolarHBondContact OD1-N 2.94Å; D697-S700 PolarHBondContact O-N 2.89Å; D697-S700 PolarHBondContact O-OG 2.87Å; D697-S700 WeakPolarHBondContact OD2-CB 3.4Å; D697-S700 PolarHBondContact OD2-N 3.38Å; D697-S700 PolarHBondContact OD2-OG 3.41Å; D697-M701 HydrophobicContact CB-CE 4.4Å; D697-M701 VanDerWaalsContact N-CE 3.32Å; D697-M701 PolarHBondContact O-N 3.03Å | ||
| 698 | P | 93.5 | Very high | 91.5 | Very high | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.019 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.3 | -31.4 | -178.5 | -21.5 | 29.5 | 0 | 0 | 0 | 113.1 | Y696 S700 S702 A707 E711 P713 | Y696-P698 HydrophobicContact CD1-CG 4.07Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.77Å; P698-S700 VanDerWaalsContact C-N 3.26Å; P698-S700 PolarHBondContact O-N 2.97Å; P698-S702 WeakPolarHBondContact O-CB 3.37Å; P698-S702 PolarHBondContact O-N 3.33Å; P698-A707 HydrophobicContact CB-CB 3.65Å; P698-A707 WeakPolarHBondContact CB-O 3.18Å; P698-E711 HydrophobicContact CB-CB 3.87Å; P698-E711 HydrophobicContact CG-CB 3.77Å; P698-P713 HydrophobicContact CG-CB 4.3Å |
| 699 | V | 90.3 | Very high | 91.3 | Very high | 116 Ų | 116 | 54.3 Ų | 54.3 | 70% | 0.703 | 32% | 0.317 | S | S | * | . | H | α-helix | trans | -69.2 | -23 | -175.8 | -175.8 | 0 | 0 | 0 | 0 | 112.6 | D697 | D697-V699 PolarHBondContact O-N 2.89Å; D697-V699 PolarHBondContact OD1-N 2.94Å |
| 700 | S | 91.6 | Very high | 91.2 | Very high | 84 Ų | 84 | 57.2 Ų | 57.2 | 59% | 0.587 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -114.7 | -16.1 | 179.8 | 58.4 | 0 | 0 | 0 | 0 | 114.8 | D697 P698 | D697-S700 PolarHBondContact O-N 2.89Å; D697-S700 PolarHBondContact O-OG 2.87Å; D697-S700 WeakPolarHBondContact OD2-CB 3.4Å; D697-S700 PolarHBondContact OD2-N 3.38Å; D697-S700 PolarHBondContact OD2-OG 3.41Å; P698-S700 VanDerWaalsContact C-N 3.26Å; P698-S700 PolarHBondContact O-N 2.97Å |
| 701 | M | 91.6 | Very high | 91.3 | Very high | 85 Ų | 85 | 57.7 Ų | 57.7 | 42% | 0.419 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -122 | -16.6 | -176.3 | -69.9 | -173.6 | -72.2 | 0 | 0 | 115.9 | D695 Y696 D697 | D695-M701 WeakPolarHBondContact O-CE 3.47Å; Y696-M701 HydrophobicContact CD2-CE 4.13Å; Y696-M701 HydrophobicContact CE2-CB 4.06Å; D697-M701 HydrophobicContact CB-CE 4.4Å; D697-M701 VanDerWaalsContact N-CE 3.32Å; D697-M701 PolarHBondContact O-N 3.03Å |
| 702 | S | 90.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 57.5 Ų | 57.5 | 14% | 0.14 | 33% | 0.332 | C | S | . | . | trans | -80.3 | 144.6 | 170.4 | -173.5 | 0 | 0 | 0 | 0 | 110.9 | P698 N704 A707 E711 | P698-S702 WeakPolarHBondContact O-CB 3.37Å; P698-S702 PolarHBondContact O-N 3.33Å; S702-N704 PolarHBondContact OG-N 3.39Å; S702-N704 VanDerWaalsContact OG-N 3.14Å; S702-N704 PolarHBondContact OG-ND2 3.05Å; S702-A707 WeakPolarHBondContact OG-CB 3.5Å; S702-E711 WeakPolarHBondContact CB-OE1 3.4Å; S702-E711 WeakPolarHBondContact CB-OE2 3.44Å; S702-E711 PolarHBondContact OG-OE1 3.01Å; S702-E711 PolarHBondContact OG-OE2 2.94Å | ||
| 703 | P | 87.4 | Confident | 91.2 | Very high | 95 Ų | 95 | 58.7 Ų | 58.7 | 62% | 0.617 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -75.1 | -9.9 | 167 | 33.1 | -36.7 | 0 | 0 | 0 | 113.4 | P796 | P703-P796 HydrophobicContact CG-CG 4.3Š|
| 704 | N | 84.4 | Confident | 91.2 | Very high | 75 Ų | 75 | 57.5 Ų | 57.5 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | trans | -87.5 | 132.8 | -174.1 | -53.3 | -41 | 0 | 0 | 0 | 111.1 | S702 D706 A707 E711 | S702-N704 PolarHBondContact OG-N 3.39Å; S702-N704 VanDerWaalsContact OG-N 3.14Å; S702-N704 PolarHBondContact OG-ND2 3.05Å; N704-D706 VanDerWaalsContact C-N 3.27Å; N704-D706 PolarHBondContact O-N 2.98Å; N704-A707 HydrophobicContact CB-CB 4.13Å; N704-A707 WeakPolarHBondContact O-CB 3.29Å; N704-A707 PolarHBondContact O-N 3.4Å; N704-E711 PolarHBondContact ND2-OE1 2.9Å | ||
| 705 | P | 82.3 | Confident | 91.3 | Very high | 137 Ų | 137 | 62.6 Ų | 62.6 | 89% | 0.89 | 35% | 0.351 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.3 | -21 | -176.5 | 30.9 | -36.2 | 0 | 0 | 0 | 113.7 | ||
| 706 | D | 88.6 | Confident | 91.3 | Very high | 78 Ų | 78 | 62.8 Ų | 62.8 | 42% | 0.417 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | -0.4 | 179 | 38 | 11.4 | 0 | 0 | 0 | 113.1 | N704 G708 E709 E710 | N704-D706 VanDerWaalsContact C-N 3.27Å; N704-D706 PolarHBondContact O-N 2.98Å; D706-G708 PolarHBondContact O-N 2.88Å; D706-E709 HydrophobicContact CB-CG 4.45Å; D706-E709 VanDerWaalsContact O-CG 3.28Å; D706-E709 WeakPolarHBondContact O-CG 3.48Å; D706-E709 PolarHBondContact O-N 3.2Å; D706-E710 PolarHBondContact O-N 2.97Å |
| 707 | A | 90 | Very high | 91.1 | Very high | 2 Ų | 2 | 62.3 Ų | 62.3 | 2% | 0.017 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -50.9 | -34.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | P698 S702 N704 E709 E711 | P698-A707 HydrophobicContact CB-CB 3.65Å; P698-A707 WeakPolarHBondContact CB-O 3.18Å; S702-A707 WeakPolarHBondContact OG-CB 3.5Å; N704-A707 HydrophobicContact CB-CB 4.13Å; N704-A707 WeakPolarHBondContact O-CB 3.29Å; N704-A707 PolarHBondContact O-N 3.4Å; A707-E709 PolarHBondContact O-N 2.78Å; A707-E711 HydrophobicContact CB-CG 4.2Å; A707-E711 WeakPolarHBondContact CB-OE1 3.29Å; A707-E711 WeakPolarHBondContact O-CA 3.38Å; A707-E711 VanDerWaalsContact O-CB 3.32Å; A707-E711 WeakPolarHBondContact O-CB 3.1Å; A707-E711 PolarHBondContact O-N 3.15Å |
| 708 | G | 87.3 | Confident | 91.1 | Very high | 46 Ų | 46 | 60.6 Ų | 60.6 | 47% | 0.474 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.3 | -14.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | D706 | D706-G708 PolarHBondContact O-N 2.88Å |
| 709 | E | 89.1 | Confident | 91.2 | Very high | 133 Ų | 133 | 60.9 Ų | 60.9 | 62% | 0.621 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -111.4 | -28.7 | 172.8 | 62.8 | 167.8 | -120.3 | 0 | 0 | 114.6 | R674 D706 A707 | R674-E709 IonicContact CZ-OE1 3.47Å; R674-E709 IonicContact NH1-OE1 2.76Å; R674-E709 PolarHBondContact NH1-OE1 3.01Å; R674-E709 IonicContact NH2-OE1 3.35Å; D706-E709 HydrophobicContact CB-CG 4.45Å; D706-E709 VanDerWaalsContact O-CG 3.28Å; D706-E709 WeakPolarHBondContact O-CG 3.48Å; D706-E709 PolarHBondContact O-N 3.2Å; A707-E709 PolarHBondContact O-N 2.78Å |
| 710 | E | 92 | Very high | 91.4 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 30% | 0.299 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -99.1 | -29.6 | -177.2 | -50.5 | -150.7 | 163.3 | 0 | 0 | 114.2 | R674 D706 G741 Y742 | R674-E710 IonicContact CZ-OE1 3.32Å; R674-E710 VanDerWaalsContact CZ-OE1 3.31Å; R674-E710 IonicContact NH1-OE1 2.69Å; R674-E710 PolarHBondContact NH1-OE1 2.68Å; R674-E710 IonicContact NH2-OE1 2.74Å; R674-E710 PolarHBondContact NH2-OE1 3.42Å; D706-E710 PolarHBondContact O-N 2.97Å; E710-G741 CarbonylContact O-C 3.53Å; E710-G741 VanDerWaalsContact O-CA 3.24Å; E710-G741 WeakPolarHBondContact O-CA 3.49Å; E710-Y742 HydrophobicContact CB-CD2 4.21Å; E710-Y742 HydrophobicContact CB-CE2 4.37Å; E710-Y742 VanDerWaalsContact O-CD2 3.32Å; E710-Y742 WeakPolarHBondContact O-CD2 3.49Å; E710-Y742 PolarHBondContact O-N 2.67Å |
| 711 | E | 95.2 | Very high | 91.6 | Very high | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.056 | 29% | 0.288 | C | S | . | . | B | Isolated β-bridge | trans | -94.5 | 150.7 | 179.8 | -57.9 | 174.8 | -150.5 | 0 | 0 | 111.8 | Y696 P698 S702 N704 A707 P713 | Y696-E711 WeakPolarHBondContact CE1-OE2 3.42Å; Y696-E711 PolarHBondContact OH-OE2 2.96Å; P698-E711 HydrophobicContact CB-CB 3.87Å; P698-E711 HydrophobicContact CG-CB 3.77Å; S702-E711 WeakPolarHBondContact CB-OE1 3.4Å; S702-E711 WeakPolarHBondContact CB-OE2 3.44Å; S702-E711 PolarHBondContact OG-OE1 3.01Å; S702-E711 PolarHBondContact OG-OE2 2.94Å; N704-E711 PolarHBondContact ND2-OE1 2.9Å; A707-E711 HydrophobicContact CB-CG 4.2Å; A707-E711 WeakPolarHBondContact CB-OE1 3.29Å; A707-E711 WeakPolarHBondContact O-CA 3.38Å; A707-E711 VanDerWaalsContact O-CB 3.32Å; A707-E711 WeakPolarHBondContact O-CB 3.1Å; A707-E711 PolarHBondContact O-N 3.15Å; E711-P713 WeakPolarHBondContact O-CD 3.49Å |
| 712 | L | 95.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 27% | 0.268 | C | S | . | . | trans | -92.6 | 112.1 | -176.5 | -174.7 | 70.9 | 0 | 0 | 0 | 110.9 | F714 L720 R739 Y742 I743 | L712-F714 WeakPolarHBondContact O-CD1 3.18Å; L712-F714 WeakPolarHBondContact O-CE1 3.22Å; L712-L720 HydrophobicContact CD2-CD2 4.1Å; L712-R739 HydrophobicContact CD1-CB 3.68Å; L712-R739 WeakPolarHBondContact CD1-O 3.14Å; L712-Y742 PolarHBondContact N-O 3.37Å; L712-I743 HydrophobicContact CB-CG1 4Å; L712-I743 HydrophobicContact CD2-CD1 3.72Å; L712-I743 HydrophobicContact CD2-CG1 3.76Å; L712-I743 HydrophobicContact CG-CG1 4.5Å | ||
| 713 | P | 94.4 | Very high | 91.9 | Very high | 28 Ų | 28 | 50.1 Ų | 50.1 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | trans | -71.4 | 138.2 | 167.7 | 26.9 | -34.5 | 0 | 0 | 0 | 112.1 | Y696 P698 E711 R739 | Y696-P713 CarbonylContact O-C 3.48Å; Y696-P713 VanDerWaalsContact O-CA 3.22Å; Y696-P713 WeakPolarHBondContact O-CA 3.47Å; Y696-P713 WeakPolarHBondContact O-CB 3.45Å; P698-P713 HydrophobicContact CG-CB 4.3Å; E711-P713 WeakPolarHBondContact O-CD 3.49Å; P713-R739 VanDerWaalsContact CG-CZ 3.42Å; P713-R739 VanDerWaalsContact CG-NH2 3.26Å | ||
| 714 | F | 95.4 | Very high | 91.9 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 24% | 0.238 | C | C | . | . | B | Isolated β-bridge | trans | -149.1 | 179.5 | 178 | 51.6 | -101 | 0 | 0 | 0 | 111.1 | A692 Y696 L712 Q718 L720 I743 M747 V748 | A692-F714 HydrophobicContact CB-CD2 3.41Å; A692-F714 VanDerWaalsContact CB-CD2 3.41Å; A692-F714 HydrophobicContact CB-CE2 3.76Å; A692-F714 HydrophobicContact CB-CG 4.32Å; Y696-F714 VanDerWaalsContact CB-CZ 3.44Å; Y696-F714 AromaticContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CE1 3.94Å; Y696-F714 HydrophobicContact CD1-CZ 4.1Å; Y696-F714 HydrophobicContact CG-CE1 4.2Å; Y696-F714 HydrophobicContact CG-CE2 4.32Å; Y696-F714 AromaticContact CG-CZ 3.91Å; Y696-F714 HydrophobicContact CG-CZ 3.91Å; Y696-F714 PolarHBondContact N-O 3.4Å; Y696-F714 PolarHBondContact O-N 3.4Å; Y696-F714 VanDerWaalsContact O-O 3.07Å; L712-F714 WeakPolarHBondContact O-CD1 3.18Å; L712-F714 WeakPolarHBondContact O-CE1 3.22Å; F714-Q718 HydrophobicContact CB-CB 4.49Å; F714-L720 HydrophobicContact CB-CD1 4.25Å; F714-L720 HydrophobicContact CB-CD2 3.91Å; F714-L720 HydrophobicContact CD1-CD1 3.78Å; F714-L720 HydrophobicContact CD1-CD2 4.47Å; F714-L720 HydrophobicContact CD2-CD1 4.24Å; F714-L720 HydrophobicContact CE1-CD1 4.18Å; F714-L720 HydrophobicContact CG-CD1 3.83Å; F714-L720 HydrophobicContact CG-CD2 4.37Å; F714-I743 HydrophobicContact CE1-CB 4.45Å; F714-I743 HydrophobicContact CE1-CG1 4.37Å; F714-I743 HydrophobicContact CE1-CG2 3.88Å; F714-I743 HydrophobicContact CZ-CG2 4.24Å; F714-M747 HydrophobicContact CE2-CB 3.93Å; F714-M747 HydrophobicContact CZ-CB 3.69Å; F714-M747 HydrophobicContact CZ-CG 4.46Å; F714-V748 HydrophobicContact CE2-CG1 4.19Å; F714-V748 HydrophobicContact CZ-CG1 3.97Å |
| 715 | R | 94.3 | Very high | 92.2 | Very high | 161 Ų | 161 | 47.6 Ų | 47.6 | 61% | 0.608 | 25% | 0.248 | S | C | * | . | trans | -127.2 | 154.9 | -179.3 | -69.3 | -172 | 178 | -162.7 | -5.3 | 112.8 | A692 D695 G717 Q718 Y767 | A692-R715 WeakPolarHBondContact CB-O 3.43Å; D695-R715 WeakPolarHBondContact OD1-CA 3.31Å; D695-R715 WeakPolarHBondContact OD1-CB 3.13Å; D695-R715 WeakPolarHBondContact OD1-CG 3.48Å; R715-G717 PolarHBondContact O-N 3.39Å; R715-Q718 WeakPolarHBondContact O-CB 3.38Å; R715-Q718 PolarHBondContact O-N 2.91Å; R715-Y767 HydrophobicContact CB-CE2 4.49Å; R715-Y767 WeakPolarHBondContact CB-OH 3.24Å | ||
| 716 | E | 94.3 | Very high | 92.7 | Very high | 94 Ų | 94 | 47.4 Ų | 47.4 | 44% | 0.439 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | 127 | 174.9 | 179.2 | -179.4 | 156.3 | 0 | 0 | 110.5 | F694 D695 Q718 Y767 P770 | F694-E716 PolarHBondContact O-N 2.84Å; D695-E716 PolarHBondContact OD1-N 3.41Å; E716-Q718 VanDerWaalsContact C-N 3.31Å; E716-Q718 PolarHBondContact O-N 2.99Å; E716-Y767 WeakPolarHBondContact O-CE1 3.38Å; E716-Y767 PolarHBondContact O-OH 3Å; E716-P770 HydrophobicContact CG-CG 4.39Å; E716-P770 WeakPolarHBondContact OE1-CG 3.48Å |
| 717 | G | 92.3 | Very high | 92.8 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 2% | 0.021 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83 | -8.3 | -175.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | A692 R715 Y767 L768 | A692-G717 PolarHBondContact O-N 2.78Å; R715-G717 PolarHBondContact O-N 3.39Å; G717-Y767 CarbonylContact O-C 3.6Å; G717-Y767 WeakPolarHBondContact O-CA 3.41Å; G717-Y767 WeakPolarHBondContact O-CD1 3.16Å; G717-L768 WeakPolarHBondContact CA-O 3.48Å; G717-L768 PolarHBondContact O-N 2.88Å |
| 718 | Q | 94.4 | Very high | 92.8 | Very high | 30 Ų | 30 | 51.7 Ų | 51.7 | 14% | 0.14 | 27% | 0.271 | C | S | . | . | B | Isolated β-bridge | trans | -64.4 | 138.4 | 177.7 | -173.6 | 178.8 | -42.4 | 0 | 0 | 111.3 | A692 F714 R715 E716 L720 Y767 | A692-Q718 HydrophobicContact CB-CB 4.46Å; A692-Q718 PolarHBondContact N-O 3.38Å; F714-Q718 HydrophobicContact CB-CB 4.49Å; R715-Q718 WeakPolarHBondContact O-CB 3.38Å; R715-Q718 PolarHBondContact O-N 2.91Å; E716-Q718 VanDerWaalsContact C-N 3.31Å; E716-Q718 PolarHBondContact O-N 2.99Å; Q718-L720 HydrophobicContact CG-CD2 4.18Å; Q718-Y767 HydrophobicContact CB-CD2 4.2Å; Q718-Y767 HydrophobicContact CB-CE2 3.84Å; Q718-Y767 HydrophobicContact CG-CD2 4.48Å; Q718-Y767 HydrophobicContact CG-CE2 4.36Å |
| 719 | I | 94.8 | Very high | 92.8 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 130.5 | 175.2 | -62.9 | -67.6 | 0 | 0 | 0 | 110.6 | I689 V691 L762 L763 G766 L768 | I689-I719 HydrophobicContact CG2-CG2 3.77Å; V691-I719 HydrophobicContact CB-CD1 4.02Å; V691-I719 HydrophobicContact CG2-CD1 4.15Å; I719-L762 HydrophobicContact CG2-CB 4.41Å; I719-L763 HydrophobicContact CG2-CD2 4.08Å; I719-G766 PolarHBondContact N-O 3.35Å; I719-L768 HydrophobicContact CD1-CB 4.17Å; I719-L768 HydrophobicContact CD1-CD1 3.7Å; I719-L768 HydrophobicContact CD1-CG 3.72Å; I719-L768 HydrophobicContact CG1-CG 4.29Å |
| 720 | L | 95 | Very high | 93 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 142.8 | -174.9 | -56 | 173.6 | 0 | 0 | 0 | 109.7 | F690 A692 L712 F714 Q718 I743 V748 | F690-L720 HydrophobicContact CB-CB 4.42Å; F690-L720 PolarHBondContact N-O 3.05Å; F690-L720 PolarHBondContact O-N 2.9Å; A692-L720 HydrophobicContact CB-CD1 4.32Å; L712-L720 HydrophobicContact CD2-CD2 4.1Å; F714-L720 HydrophobicContact CB-CD1 4.25Å; F714-L720 HydrophobicContact CB-CD2 3.91Å; F714-L720 HydrophobicContact CD1-CD1 3.78Å; F714-L720 HydrophobicContact CD1-CD2 4.47Å; F714-L720 HydrophobicContact CD2-CD1 4.24Å; F714-L720 HydrophobicContact CE1-CD1 4.18Å; F714-L720 HydrophobicContact CG-CD1 3.83Å; F714-L720 HydrophobicContact CG-CD2 4.37Å; Q718-L720 HydrophobicContact CG-CD2 4.18Å; L720-I743 HydrophobicContact CB-CD1 4.31Å; L720-I743 HydrophobicContact CD1-CD1 4.19Å; L720-I743 HydrophobicContact CD1-CG2 4.36Å; L720-V748 HydrophobicContact CD1-CG1 3.72Å |
| 721 | K | 95.1 | Very high | 93.1 | Very high | 52 Ų | 52 | 49.7 Ų | 49.7 | 23% | 0.226 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 132.2 | 166.5 | -62.9 | 157.8 | 172.8 | 172.9 | 0 | 107.7 | V687 F723 G734 E735 L763 | V687-K721 HydrophobicContact CG1-CB 4.05Å; V687-K721 HydrophobicContact CG1-CG 4.22Å; K721-F723 HydrophobicContact CB-CE2 4.45Å; K721-F723 HydrophobicContact CB-CZ 4.18Å; K721-F723 HydrophobicContact CD-CZ 4.46Å; K721-G734 CarbonylContact O-C 3.54Å; K721-G734 WeakPolarHBondContact O-CA 3.44Å; K721-E735 HydrophobicContact CB-CB 4.3Å; K721-E735 HydrophobicContact CD-CB 4.03Å; K721-E735 HydrophobicContact CD-CG 4.33Å; K721-E735 WeakPolarHBondContact CD-OE2 3.22Å; K721-E735 PolarHBondContact N-O 2.9Å; K721-E735 IonicContact NZ-OE1 3.8Å; K721-E735 PolarHBondContact NZ-OE1 3.49Å; K721-E735 IonicContact NZ-OE2 3.49Å; K721-E735 PolarHBondContact NZ-OE2 2.91Å; K721-E735 PolarHBondContact O-N 3.43Å; K721-L763 HydrophobicContact CD-CD2 4.35Å; K721-L763 HydrophobicContact CG-CD2 3.62Å |
| 722 | V | 94.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 138.3 | 169.6 | 165.6 | 0 | 0 | 0 | 0 | 109 | V687 R688 F690 Y732 I743 | V687-V722 WeakPolarHBondContact CA-O 3.06Å; R688-V722 HydrophobicContact CB-CB 4.34Å; R688-V722 PolarHBondContact N-O 3.15Å; R688-V722 PolarHBondContact O-N 2.72Å; F690-V722 HydrophobicContact CB-CG2 4.23Å; F690-V722 HydrophobicContact CD2-CB 3.58Å; F690-V722 HydrophobicContact CD2-CG1 4.33Å; F690-V722 HydrophobicContact CD2-CG2 3.38Å; F690-V722 HydrophobicContact CE2-CB 3.67Å; F690-V722 HydrophobicContact CE2-CG1 3.92Å; F690-V722 HydrophobicContact CE2-CG2 3.79Å; F690-V722 HydrophobicContact CG-CB 4.49Å; F690-V722 HydrophobicContact CG-CG2 3.81Å; V722-Y732 HydrophobicContact CG1-CD1 3.75Å; V722-Y732 HydrophobicContact CG1-CG 3.97Å; V722-Y732 HydrophobicContact CG2-CG 4.31Å; V722-I743 HydrophobicContact CG2-CD1 4.19Å |
| 723 | F | 93.1 | Very high | 93.1 | Very high | 27 Ų | 27 | 52.4 Ų | 52.4 | 12% | 0.118 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 102.3 | -178.8 | -54.8 | -80.6 | 0 | 0 | 0 | 109.9 | Y682 L685 V687 K721 Q733 E735 | Y682-F723 HydrophobicContact CD1-CB 3.98Å; Y682-F723 HydrophobicContact CG-CB 4.44Å; L685-F723 HydrophobicContact CB-CB 4.5Å; V687-F723 HydrophobicContact CG1-CE1 4.35Å; V687-F723 HydrophobicContact CG2-CD1 3.9Å; V687-F723 HydrophobicContact CG2-CE1 3.87Å; K721-F723 HydrophobicContact CB-CE2 4.45Å; K721-F723 HydrophobicContact CB-CZ 4.18Å; K721-F723 HydrophobicContact CD-CZ 4.46Å; F723-Q733 PolarHBondContact N-O 3.39Å; F723-E735 HydrophobicContact CE2-CB 3.75Å; F723-E735 HydrophobicContact CZ-CB 3.99Å |
| 724 | G | 88.8 | Confident | 93.1 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 85.4 | -136.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | P686 R688 | P686-G724 PolarHBondContact O-N 3.41Å; R688-G724 VanDerWaalsContact CD-O 3.22Å; R688-G724 WeakPolarHBondContact CD-O 3.35Å; R688-G724 PolarHBondContact NH1-O 2.77Å |
| 725 | D | 90.2 | Very high | 93.1 | Very high | 115 Ų | 115 | 53.2 Ų | 53.2 | 62% | 0.615 | 27% | 0.271 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 175.8 | -171.3 | -66.5 | -67.6 | 0 | 0 | 0 | 111.5 | R688 | R688-D725 IonicContact CZ-OD1 3.29Å; R688-D725 IonicContact NH1-OD1 3.97Å; R688-D725 PolarHBondContact NH1-OD1 2.83Å |
| 726 | K | 91.9 | Very high | 92.9 | Very high | 134 Ų | 134 | 45.8 Ų | 45.8 | 58% | 0.583 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 145.8 | 175.1 | 60.1 | 178.8 | -179.2 | 176.6 | 0 | 110.9 | F731 Y732 | K726-F731 CarbonylContact C-O 3.57Å; K726-F731 VanDerWaalsContact CA-O 3.29Å; K726-F731 WeakPolarHBondContact CA-O 3.45Å; K726-Y732 HydrophobicContact CB-CD1 3.92Å; K726-Y732 HydrophobicContact CB-CE1 3.68Å; K726-Y732 HydrophobicContact CG-CE1 4.45Å |
| 727 | D | 92 | Very high | 92.4 | Very high | 64 Ų | 64 | 45.1 Ų | 45.1 | 34% | 0.342 | 26% | 0.263 | S | S | . | . | trans | -76.6 | -178.2 | 168.3 | 61 | 35.7 | 0 | 0 | 0 | 112.4 | D729 G730 F731 | D727-D729 PolarHBondContact O-N 3.01Å; D727-D729 WeakPolarHBondContact OD1-CA 3.28Å; D727-D729 PolarHBondContact OD1-N 2.86Å; D727-G730 PolarHBondContact O-N 2.93Å; D727-G730 PolarHBondContact OD1-N 2.68Å; D727-F731 VanDerWaalsContact CG-O 3.3Å; D727-F731 PolarHBondContact N-O 2.92Å; D727-F731 PolarHBondContact OD1-N 3.23Å; D727-F731 WeakPolarHBondContact OD2-CB 3.43Å | ||
| 728 | A | 88.8 | Confident | 92.1 | Very high | 106 Ų | 106 | 48.3 Ų | 48.3 | 88% | 0.876 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -17.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 729 | D | 88.8 | Confident | 91.8 | Very high | 140 Ų | 140 | 53.9 Ų | 53.9 | 75% | 0.749 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -4.8 | 179.2 | -66.3 | -74.1 | 0 | 0 | 0 | 112 | D727 F731 | D727-D729 PolarHBondContact O-N 3.01Å; D727-D729 WeakPolarHBondContact OD1-CA 3.28Å; D727-D729 PolarHBondContact OD1-N 2.86Å; D729-F731 HydrophobicContact CB-CD2 4.16Å; D729-F731 HydrophobicContact CB-CE2 4.45Å |
| 730 | G | 92.8 | Very high | 91.7 | Very high | 18 Ų | 18 | 57.7 Ų | 57.7 | 19% | 0.186 | 34% | 0.339 | C | S | . | . | S | Bend | trans | 91.7 | 21.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | D727 C745 | D727-G730 PolarHBondContact O-N 2.93Å; D727-G730 PolarHBondContact OD1-N 2.68Å; G730-C745 WeakPolarHBondContact O-CB 3.49Å; G730-C745 PolarHBondContact O-N 2.93Å; G730-C745 PolarHBondContact O-SG 3.17Å |
| 731 | F | 94.6 | Very high | 91.7 | Very high | 43 Ų | 43 | 58 Ų | 58 | 19% | 0.189 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 145.3 | 175.9 | -64.6 | -106.1 | 0 | 0 | 0 | 111.1 | K726 D727 D729 Y742 I743 P744 | K726-F731 CarbonylContact C-O 3.57Å; K726-F731 VanDerWaalsContact CA-O 3.29Å; K726-F731 WeakPolarHBondContact CA-O 3.45Å; D727-F731 VanDerWaalsContact CG-O 3.3Å; D727-F731 PolarHBondContact N-O 2.92Å; D727-F731 PolarHBondContact OD1-N 3.23Å; D727-F731 WeakPolarHBondContact OD2-CB 3.43Å; D729-F731 HydrophobicContact CB-CD2 4.16Å; D729-F731 HydrophobicContact CB-CE2 4.45Å; F731-Y742 HydrophobicContact CB-CD1 4.33Å; F731-I743 CarbonylContact C-O 3.52Å; F731-I743 WeakPolarHBondContact CA-O 3.39Å; F731-P744 HydrophobicContact CD1-CB 4.2Å; F731-P744 HydrophobicContact CD1-CG 4.14Å; F731-P744 HydrophobicContact CE1-CB 3.99Å; F731-P744 HydrophobicContact CE1-CG 3.8Å |
| 732 | Y | 95.3 | Very high | 91.7 | Very high | 31 Ų | 31 | 58.9 Ų | 58.9 | 12% | 0.122 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 142.4 | 167 | -66.3 | -69.4 | 0 | 0 | 0 | 109.3 | F690 V722 K726 Y742 I743 C745 V748 | F690-Y732 HydrophobicContact CD1-CE2 4.49Å; F690-Y732 HydrophobicContact CE1-CD2 4.27Å; F690-Y732 AromaticContact CE1-CE2 3.68Å; F690-Y732 HydrophobicContact CE1-CE2 3.68Å; F690-Y732 AromaticContact CE1-CZ 3.87Å; F690-Y732 HydrophobicContact CZ-CE1 4.11Å; F690-Y732 HydrophobicContact CZ-CE2 4.02Å; F690-Y732 AromaticContact CZ-CZ 3.81Å; V722-Y732 HydrophobicContact CG1-CD1 3.75Å; V722-Y732 HydrophobicContact CG1-CG 3.97Å; V722-Y732 HydrophobicContact CG2-CG 4.31Å; K726-Y732 HydrophobicContact CB-CD1 3.92Å; K726-Y732 HydrophobicContact CB-CE1 3.68Å; K726-Y732 HydrophobicContact CG-CE1 4.45Å; Y732-Y742 CarbonylContact O-C 3.58Å; Y732-Y742 WeakPolarHBondContact O-CA 3.42Å; Y732-I743 PolarHBondContact N-O 2.88Å; Y732-I743 WeakPolarHBondContact O-CB 3.17Å; Y732-I743 PolarHBondContact O-N 2.67Å; Y732-C745 HydrophobicContact CD2-CB 3.86Å; Y732-C745 HydrophobicContact CE2-CB 3.4Å; Y732-V748 HydrophobicContact CD2-CG2 3.98Å; Y732-V748 HydrophobicContact CE2-CG2 4.09Å |
| 733 | Q | 94.4 | Very high | 91.8 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 18% | 0.182 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 128.7 | 169.1 | -156.3 | 155.8 | 15.1 | 0 | 0 | 110.1 | Y682 F723 Y742 | Y682-Q733 HydrophobicContact CE1-CB 4.4Å; Y682-Q733 HydrophobicContact CE1-CG 4.16Å; Y682-Q733 VanDerWaalsContact OH-CD 3.23Å; Y682-Q733 PolarHBondContact OH-NE2 3.33Å; Y682-Q733 PolarHBondContact OH-OE1 3.01Å; F723-Q733 PolarHBondContact N-O 3.39Å; Q733-Y742 HydrophobicContact CG-CE1 4.39Å |
| 734 | G | 94.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.2 | 174.1 | -169.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | K721 T740 G741 | K721-G734 CarbonylContact O-C 3.54Å; K721-G734 WeakPolarHBondContact O-CA 3.44Å; G734-T740 CarbonylContact O-C 3.58Å; G734-T740 VanDerWaalsContact O-CA 3.23Å; G734-T740 WeakPolarHBondContact O-CA 3.4Å; G734-T740 WeakPolarHBondContact O-CG2 3.39Å; G734-G741 PolarHBondContact N-O 3.41Å; G734-G741 PolarHBondContact O-N 2.8Å |
| 735 | E | 94.8 | Very high | 92.1 | Very high | 51 Ų | 51 | 59.8 Ų | 59.8 | 24% | 0.238 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.4 | 131.1 | -179.3 | -176.5 | -140.7 | 129.8 | 0 | 0 | 111.1 | K721 F723 R739 | K721-E735 HydrophobicContact CB-CB 4.3Å; K721-E735 HydrophobicContact CD-CB 4.03Å; K721-E735 HydrophobicContact CD-CG 4.33Å; K721-E735 WeakPolarHBondContact CD-OE2 3.22Å; K721-E735 PolarHBondContact N-O 2.9Å; K721-E735 IonicContact NZ-OE1 3.8Å; K721-E735 PolarHBondContact NZ-OE1 3.49Å; K721-E735 IonicContact NZ-OE2 3.49Å; K721-E735 PolarHBondContact NZ-OE2 2.91Å; K721-E735 PolarHBondContact O-N 3.43Å; F723-E735 HydrophobicContact CE2-CB 3.75Å; F723-E735 HydrophobicContact CZ-CB 3.99Å; E735-R739 CarbonylContact C-O 3.58Å; E735-R739 WeakPolarHBondContact CA-O 3.49Å; E735-R739 VanDerWaalsContact CG-O 3.27Å; E735-R739 WeakPolarHBondContact CG-O 3.49Å |
| 736 | G | 91.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 59.5 Ų | 59.5 | 5% | 0.052 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.9 | 139.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | G738 R739 | G736-G738 PolarHBondContact O-N 3.06Å; G736-R739 PolarHBondContact N-O 3.01Å; G736-R739 PolarHBondContact O-N 3.11Å |
| 737 | G | 83.1 | Confident | 92.4 | Very high | 80 Ų | 80 | 54 Ų | 54 | 83% | 0.825 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.7 | 18.7 | -179 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 738 | G | 84.9 | Confident | 92.6 | Very high | 68 Ų | 68 | 51.2 Ų | 51.2 | 70% | 0.701 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 81.9 | 10.8 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | G736 | G736-G738 PolarHBondContact O-N 3.06Š|
| 739 | R | 89.3 | Confident | 92.8 | Very high | 148 Ų | 148 | 46.3 Ų | 46.3 | 56% | 0.558 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 155.6 | 166.4 | -76.9 | -175.9 | -75.5 | -174.4 | -7.5 | 110.5 | L712 P713 E735 G736 | L712-R739 HydrophobicContact CD1-CB 3.68Å; L712-R739 WeakPolarHBondContact CD1-O 3.14Å; P713-R739 VanDerWaalsContact CG-CZ 3.42Å; P713-R739 VanDerWaalsContact CG-NH2 3.26Å; E735-R739 CarbonylContact C-O 3.58Å; E735-R739 WeakPolarHBondContact CA-O 3.49Å; E735-R739 VanDerWaalsContact CG-O 3.27Å; E735-R739 WeakPolarHBondContact CG-O 3.49Å; G736-R739 PolarHBondContact N-O 3.01Å; G736-R739 PolarHBondContact O-N 3.11Å |
| 740 | T | 93.1 | Very high | 93.1 | Very high | 90 Ų | 90 | 41.7 Ų | 41.7 | 55% | 0.552 | 25% | 0.247 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 142.6 | 171.7 | -56.2 | 0 | 0 | 0 | 0 | 108.5 | G734 | G734-T740 CarbonylContact O-C 3.58Å; G734-T740 VanDerWaalsContact O-CA 3.23Å; G734-T740 WeakPolarHBondContact O-CA 3.4Å; G734-T740 WeakPolarHBondContact O-CG2 3.39Å |
| 741 | G | 94.3 | Very high | 93 | Very high | 6 Ų | 6 | 41 Ų | 41 | 6% | 0.062 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 179.4 | -176.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | E710 G734 | E710-G741 CarbonylContact O-C 3.53Å; E710-G741 VanDerWaalsContact O-CA 3.24Å; E710-G741 WeakPolarHBondContact O-CA 3.49Å; G734-G741 PolarHBondContact N-O 3.41Å; G734-G741 PolarHBondContact O-N 2.8Å |
| 742 | Y | 95.4 | Very high | 92.6 | Very high | 71 Ų | 71 | 40 Ų | 40 | 28% | 0.278 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 143.5 | 175.6 | -61.7 | -71.7 | 0 | 0 | 0 | 112.4 | E710 L712 F731 Y732 Q733 | E710-Y742 HydrophobicContact CB-CD2 4.21Å; E710-Y742 HydrophobicContact CB-CE2 4.37Å; E710-Y742 VanDerWaalsContact O-CD2 3.32Å; E710-Y742 WeakPolarHBondContact O-CD2 3.49Å; E710-Y742 PolarHBondContact O-N 2.67Å; L712-Y742 PolarHBondContact N-O 3.37Å; F731-Y742 HydrophobicContact CB-CD1 4.33Å; Y732-Y742 CarbonylContact O-C 3.58Å; Y732-Y742 WeakPolarHBondContact O-CA 3.42Å; Q733-Y742 HydrophobicContact CG-CE1 4.39Å |
| 743 | I | 96.4 | Very high | 92 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 115.5 | -176.3 | -64.4 | 170 | 0 | 0 | 0 | 107.5 | L712 F714 L720 V722 F731 Y732 C745 V748 | L712-I743 HydrophobicContact CB-CG1 4Å; L712-I743 HydrophobicContact CD2-CD1 3.72Å; L712-I743 HydrophobicContact CD2-CG1 3.76Å; L712-I743 HydrophobicContact CG-CG1 4.5Å; F714-I743 HydrophobicContact CE1-CB 4.45Å; F714-I743 HydrophobicContact CE1-CG1 4.37Å; F714-I743 HydrophobicContact CE1-CG2 3.88Å; F714-I743 HydrophobicContact CZ-CG2 4.24Å; L720-I743 HydrophobicContact CB-CD1 4.31Å; L720-I743 HydrophobicContact CD1-CD1 4.19Å; L720-I743 HydrophobicContact CD1-CG2 4.36Å; V722-I743 HydrophobicContact CG2-CD1 4.19Å; F731-I743 CarbonylContact C-O 3.52Å; F731-I743 WeakPolarHBondContact CA-O 3.39Å; Y732-I743 PolarHBondContact N-O 2.88Å; Y732-I743 WeakPolarHBondContact O-CB 3.17Å; Y732-I743 PolarHBondContact O-N 2.67Å; I743-C745 PolarHBondContact O-N 3.18Å; I743-V748 HydrophobicContact CG2-CB 4.32Å; I743-V748 HydrophobicContact CG2-CG1 3.49Å; I743-V748 VanDerWaalsContact CG2-CG1 3.49Å; I743-V748 HydrophobicContact CG2-CG2 3.83Å |
| 744 | P | 94.9 | Very high | 91.2 | Very high | 15 Ų | 15 | 45.4 Ų | 45.4 | 10% | 0.097 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.5 | 127.7 | 178.7 | -11.8 | 22.4 | 0 | 0 | 0 | 110.7 | Y696 F731 N746 M747 | Y696-P744 HydrophobicContact CD1-CG 4.32Å; Y696-P744 HydrophobicContact CE1-CG 3.74Å; Y696-P744 HydrophobicContact CE2-CG 4Å; F731-P744 HydrophobicContact CD1-CB 4.2Å; F731-P744 HydrophobicContact CD1-CG 4.14Å; F731-P744 HydrophobicContact CE1-CB 3.99Å; F731-P744 HydrophobicContact CE1-CG 3.8Å; P744-N746 PolarHBondContact O-N 3.08Å; P744-M747 HydrophobicContact CB-CG 3.96Å; P744-M747 HydrophobicContact CG-CG 4.14Å; P744-M747 PolarHBondContact O-N 3.38Å; P744-M747 VanDerWaalsContact O-N 3.09Å |
| 745 | C | 94 | Very high | 90.8 | Very high | 31 Ų | 31 | 48.2 Ų | 48.2 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -60.5 | -32.5 | -173.5 | 66 | 0 | 0 | 0 | 0 | 113.8 | G730 Y732 I743 M747 V748 | G730-C745 WeakPolarHBondContact O-CB 3.49Å; G730-C745 PolarHBondContact O-N 2.93Å; G730-C745 PolarHBondContact O-SG 3.17Å; Y732-C745 HydrophobicContact CD2-CB 3.86Å; Y732-C745 HydrophobicContact CE2-CB 3.4Å; I743-C745 PolarHBondContact O-N 3.18Å; C745-M747 PolarHBondContact O-N 3.11Å; C745-M747 VanDerWaalsContact O-N 3.15Å; C745-V748 PolarHBondContact O-N 3.19Å; C745-V748 VanDerWaalsContact O-O 3.11Å |
| 746 | N | 94.8 | Very high | 90.2 | Very high | 110 Ų | 110 | 50 Ų | 50 | 59% | 0.588 | 31% | 0.308 | S | S | * | . | G | 310 helix | trans | -66.6 | -12.6 | 179.4 | -64.1 | -15.8 | 0 | 0 | 0 | 114.2 | P744 | P744-N746 PolarHBondContact O-N 3.08Š|
| 747 | M | 94.2 | Very high | 89.9 | Confident | 19 Ų | 19 | 52.9 Ų | 52.9 | 9% | 0.094 | 33% | 0.331 | C | S | . | . | G | 310 helix | trans | -99.5 | -2.9 | -176.7 | -57.6 | -66.2 | -175.1 | 0 | 0 | 113.1 | L693 F694 Y696 F714 P744 C745 P793 | L693-M747 PolarHBondContact N-O 2.99Å; F694-M747 HydrophobicContact CD2-SD 4.18Å; Y696-M747 HydrophobicContact CD2-CE 3.95Å; Y696-M747 HydrophobicContact CD2-CG 4.19Å; Y696-M747 HydrophobicContact CD2-SD 4.39Å; Y696-M747 HydrophobicContact CE2-CE 3.96Å; F714-M747 HydrophobicContact CE2-CB 3.93Å; F714-M747 HydrophobicContact CZ-CB 3.69Å; F714-M747 HydrophobicContact CZ-CG 4.46Å; P744-M747 HydrophobicContact CB-CG 3.96Å; P744-M747 HydrophobicContact CG-CG 4.14Å; P744-M747 PolarHBondContact O-N 3.38Å; P744-M747 VanDerWaalsContact O-N 3.09Å; C745-M747 PolarHBondContact O-N 3.11Å; C745-M747 VanDerWaalsContact O-N 3.15Å; M747-P793 HydrophobicContact CE-CB 3.6Å; M747-P793 HydrophobicContact CE-CG 3.75Å; M747-P793 HydrophobicContact SD-CB 3.94Å; M747-P793 HydrophobicContact SD-CG 4.18Å |
| 748 | V | 94.7 | Very high | 90 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.024 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 147 | -169.5 | -61.9 | 0 | 0 | 0 | 0 | 112.2 | F690 V691 F714 L720 Y732 I743 C745 | F690-V748 HydrophobicContact CB-CB 4.35Å; F690-V748 HydrophobicContact CD1-CB 3.95Å; F690-V748 HydrophobicContact CD1-CG2 3.65Å; F690-V748 HydrophobicContact CE1-CG2 4.19Å; V691-V748 CarbonylContact O-C 3.59Å; V691-V748 WeakPolarHBondContact O-CA 3.42Å; F714-V748 HydrophobicContact CE2-CG1 4.19Å; F714-V748 HydrophobicContact CZ-CG1 3.97Å; L720-V748 HydrophobicContact CD1-CG1 3.72Å; Y732-V748 HydrophobicContact CD2-CG2 3.98Å; Y732-V748 HydrophobicContact CE2-CG2 4.09Å; I743-V748 HydrophobicContact CG2-CB 4.32Å; I743-V748 HydrophobicContact CG2-CG1 3.49Å; I743-V748 VanDerWaalsContact CG2-CG1 3.49Å; I743-V748 HydrophobicContact CG2-CG2 3.83Å; C745-V748 PolarHBondContact O-N 3.19Å; C745-V748 VanDerWaalsContact O-O 3.11Å |
| 749 | A | 94.1 | Very high | 90.1 | Very high | 3 Ų | 3 | 50.9 Ų | 50.9 | 3% | 0.025 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 143.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | F690 V691 L693 V783 | F690-A749 CarbonylContact C-O 3.59Å; F690-A749 VanDerWaalsContact CA-O 3.25Å; F690-A749 WeakPolarHBondContact CA-O 3.25Å; F690-A749 VanDerWaalsContact CD1-C 3.41Å; F690-A749 WeakPolarHBondContact CD1-O 2.97Å; V691-A749 HydrophobicContact CG1-CB 4.33Å; V691-A749 PolarHBondContact N-O 3.34Å; V691-A749 PolarHBondContact O-N 3.19Å; L693-A749 HydrophobicContact CD1-CB 4.19Å; L693-A749 HydrophobicContact CD2-CB 3.89Å; L693-A749 HydrophobicContact CG-CB 4.14Å; A749-V783 HydrophobicContact CB-CG1 3.63Å |
| 750 | E | 93.8 | Very high | 89.9 | Confident | 44 Ų | 44 | 49.8 Ų | 49.8 | 21% | 0.206 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 128.2 | 177.5 | -177.1 | 161.2 | -150.6 | 0 | 0 | 111.1 | R688 F690 V783 Y784 | R688-E750 WeakPolarHBondContact CB-OE1 3.21Å; R688-E750 WeakPolarHBondContact CG-OE1 3.27Å; R688-E750 IonicContact CZ-OE1 3.55Å; R688-E750 IonicContact CZ-OE2 3.94Å; R688-E750 IonicContact NE-OE1 2.75Å; R688-E750 PolarHBondContact NE-OE1 3.36Å; R688-E750 IonicContact NE-OE2 3.46Å; R688-E750 PolarHBondContact NE-OE2 2.78Å; R688-E750 IonicContact NH2-OE1 2.73Å; R688-E750 IonicContact NH2-OE2 2.63Å; R688-E750 PolarHBondContact NH2-OE2 2.78Å; F690-E750 HydrophobicContact CD1-CB 4.17Å; F690-E750 HydrophobicContact CD2-CB 4.48Å; F690-E750 HydrophobicContact CD2-CG 4.48Å; F690-E750 HydrophobicContact CE1-CB 3.73Å; F690-E750 HydrophobicContact CE2-CB 4.07Å; F690-E750 HydrophobicContact CE2-CG 4.05Å; F690-E750 HydrophobicContact CZ-CB 3.69Å; F690-E750 HydrophobicContact CZ-CG 4.12Å; E750-V783 WeakPolarHBondContact O-CA 3.42Å; E750-Y784 PolarHBondContact O-N 2.66Å |
| 751 | V | 91.8 | Very high | 89.6 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.018 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 100 | 175 | -172.3 | 0 | 0 | 0 | 0 | 108 | I689 V691 V753 L762 P781 V783 | I689-V751 HydrophobicContact CG2-CB 4.32Å; I689-V751 PolarHBondContact O-N 2.87Å; V691-V751 HydrophobicContact CB-CG2 3.81Å; V691-V751 HydrophobicContact CG1-CG2 3.67Å; V751-V753 HydrophobicContact CG1-CG2 3.92Å; V751-V753 PolarHBondContact O-N 3.15Å; V751-L762 HydrophobicContact CB-CD1 4.45Å; V751-L762 HydrophobicContact CG1-CD1 3.67Å; V751-P781 HydrophobicContact CG1-CB 3.71Å; V751-P781 HydrophobicContact CG1-CG 3.87Å; V751-V783 HydrophobicContact CG1-CG2 4.46Å; V751-V783 HydrophobicContact CG2-CG2 4.17Å |
| 752 | A | 84.9 | Confident | 89.3 | Confident | 22 Ų | 22 | 50.6 Ų | 50.6 | 18% | 0.182 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 117.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | P781 F782 Y784 | A752-P781 WeakPolarHBondContact O-CB 3.43Å; A752-F782 WeakPolarHBondContact CA-O 3.33Å; A752-F782 HydrophobicContact CB-CB 4.37Å; A752-F782 WeakPolarHBondContact CB-O 3.19Å; A752-F782 PolarHBondContact N-O 2.81Å; A752-F782 PolarHBondContact O-N 3.48Å; A752-Y784 HydrophobicContact CB-CD2 4.4Å; A752-Y784 HydrophobicContact CB-CE2 3.84Å |
| 753 | V | 82.6 | Confident | 88.8 | Confident | 24 Ų | 24 | 50.3 Ų | 50.3 | 15% | 0.145 | 28% | 0.282 | C | S | . | . | trans | -137.4 | 102 | 177 | -163.4 | 0 | 0 | 0 | 0 | 110.5 | V751 S755 R759 L762 P781 | V751-V753 HydrophobicContact CG1-CG2 3.92Å; V751-V753 PolarHBondContact O-N 3.15Å; V753-S755 PolarHBondContact O-N 3.34Å; V753-R759 HydrophobicContact CB-CG 3.72Å; V753-R759 HydrophobicContact CG1-CG 4.14Å; V753-R759 HydrophobicContact CG2-CG 4.39Å; V753-R759 PolarHBondContact O-NH1 2.98Å; V753-L762 HydrophobicContact CG2-CD1 3.74Å; V753-P781 HydrophobicContact CG2-CB 3.82Å | ||
| 754 | D | 78.4 | Confident | 88.3 | Confident | 159 Ų | 159 | 57.5 Ų | 57.5 | 85% | 0.85 | 32% | 0.316 | S | S | * | . | trans | -64 | -31.9 | -179.1 | -48.5 | -62 | 0 | 0 | 0 | 112.2 | ||||
| 755 | S | 86.4 | Confident | 87.9 | Confident | 60 Ų | 60 | 63.9 Ų | 63.9 | 42% | 0.42 | 34% | 0.338 | S | S | . | . | trans | -85.5 | 123.9 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 112.2 | V753 A757 G758 R759 | V753-S755 PolarHBondContact O-N 3.34Å; S755-A757 PolarHBondContact O-N 3.09Å; S755-A757 PolarHBondContact OG-N 2.79Å; S755-G758 WeakPolarHBondContact O-CA 3.4Å; S755-G758 PolarHBondContact O-N 2.85Å; S755-G758 PolarHBondContact OG-N 2.82Å; S755-R759 PolarHBondContact O-N 3.45Å | ||
| 756 | P | 82.4 | Confident | 87.5 | Confident | 89 Ų | 89 | 63.7 Ų | 63.7 | 58% | 0.578 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -63.3 | -28.5 | 173.9 | 26.9 | -34.2 | 0 | 0 | 0 | 112.4 | R759 Q760 | P756-R759 PolarHBondContact O-N 3.2Å; P756-Q760 WeakPolarHBondContact O-CB 3.42Å; P756-Q760 PolarHBondContact O-N 2.96Å |
| 757 | A | 85.5 | Confident | 87.2 | Confident | 64 Ų | 64 | 63.3 Ų | 63.3 | 53% | 0.529 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -68.1 | -37 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S755 Q760 Q761 | S755-A757 PolarHBondContact O-N 3.09Å; S755-A757 PolarHBondContact OG-N 2.79Å; A757-Q760 PolarHBondContact O-N 2.93Å; A757-Q761 WeakPolarHBondContact O-CB 3.16Å; A757-Q761 PolarHBondContact O-N 2.93Å |
| 758 | G | 85.2 | Confident | 86.8 | Confident | 16 Ų | 16 | 63.5 Ų | 63.5 | 17% | 0.165 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -63.8 | -46.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | S755 Q760 Q761 L762 | S755-G758 WeakPolarHBondContact O-CA 3.4Å; S755-G758 PolarHBondContact O-N 2.85Å; S755-G758 PolarHBondContact OG-N 2.82Å; G758-Q760 VanDerWaalsContact C-N 3.32Å; G758-Q760 PolarHBondContact O-N 2.87Å; G758-Q761 WeakPolarHBondContact O-CB 3.32Å; G758-Q761 PolarHBondContact O-N 3.01Å; G758-L762 PolarHBondContact O-N 2.96Å |
| 759 | R | 85.5 | Confident | 85.7 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 34% | 0.343 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -55.8 | -46.9 | 173.5 | -66.6 | -163.7 | -65.7 | -100 | 14.2 | 111.4 | I689 V753 S755 P756 Q761 L762 L763 | I689-R759 HydrophobicContact CD1-CB 4.26Å; I689-R759 HydrophobicContact CG1-CB 3.93Å; I689-R759 HydrophobicContact CG1-CG 3.74Å; V753-R759 HydrophobicContact CB-CG 3.72Å; V753-R759 HydrophobicContact CG1-CG 4.14Å; V753-R759 HydrophobicContact CG2-CG 4.39Å; V753-R759 PolarHBondContact O-NH1 2.98Å; S755-R759 PolarHBondContact O-N 3.45Å; P756-R759 PolarHBondContact O-N 3.2Å; R759-Q761 VanDerWaalsContact C-N 3.3Å; R759-Q761 PolarHBondContact O-N 3.06Å; R759-L762 PolarHBondContact O-N 3.1Å; R759-L763 WeakPolarHBondContact O-CG 3.41Å; R759-L763 PolarHBondContact O-N 2.95Å |
| 760 | Q | 84.6 | Confident | 84.2 | Confident | 124 Ų | 124 | 69 Ų | 69 | 58% | 0.579 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -66.5 | -29.2 | 177.5 | -158.1 | -179.9 | 13.9 | 0 | 0 | 112.8 | P756 A757 G758 Q764 | P756-Q760 WeakPolarHBondContact O-CB 3.42Å; P756-Q760 PolarHBondContact O-N 2.96Å; A757-Q760 PolarHBondContact O-N 2.93Å; G758-Q760 VanDerWaalsContact C-N 3.32Å; G758-Q760 PolarHBondContact O-N 2.87Å; Q760-Q764 WeakPolarHBondContact O-CB 3.34Å; Q760-Q764 VanDerWaalsContact O-CG 3.28Å; Q760-Q764 WeakPolarHBondContact O-CG 3.15Å; Q760-Q764 PolarHBondContact O-N 3.34Å; Q760-Q764 PolarHBondContact O-NE2 2.8Å |
| 761 | Q | 86.8 | Confident | 82.2 | Confident | 101 Ų | 101 | 73 Ų | 73 | 47% | 0.472 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -72.2 | -38.7 | 175.1 | -167.1 | -177.3 | 14.2 | 0 | 0 | 112.2 | A757 G758 R759 Q764 R765 | A757-Q761 WeakPolarHBondContact O-CB 3.16Å; A757-Q761 PolarHBondContact O-N 2.93Å; G758-Q761 WeakPolarHBondContact O-CB 3.32Å; G758-Q761 PolarHBondContact O-N 3.01Å; R759-Q761 VanDerWaalsContact C-N 3.3Å; R759-Q761 PolarHBondContact O-N 3.06Å; Q761-Q764 PolarHBondContact O-N 3Å; Q761-R765 PolarHBondContact O-N 3.38Å; Q761-R765 VanDerWaalsContact O-N 3.11Å |
| 762 | L | 88 | Confident | 80.6 | Confident | 12 Ų | 12 | 78.3 Ų | 78.3 | 6% | 0.063 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 172.5 | -65 | -174.3 | 0 | 0 | 0 | 111.2 | I689 I719 V751 V753 G758 R759 Q764 R765 G766 L768 | I689-L762 HydrophobicContact CG2-CB 4.43Å; I689-L762 HydrophobicContact CG2-CD1 4.01Å; I719-L762 HydrophobicContact CG2-CB 4.41Å; V751-L762 HydrophobicContact CB-CD1 4.45Å; V751-L762 HydrophobicContact CG1-CD1 3.67Å; V753-L762 HydrophobicContact CG2-CD1 3.74Å; G758-L762 PolarHBondContact O-N 2.96Å; R759-L762 PolarHBondContact O-N 3.1Å; L762-Q764 VanDerWaalsContact C-N 3.28Å; L762-Q764 PolarHBondContact O-N 3.47Å; L762-R765 PolarHBondContact O-N 3.03Å; L762-G766 PolarHBondContact O-N 3.03Å; L762-L768 HydrophobicContact CD1-CD1 4.47Å; L762-L768 HydrophobicContact CD2-CD1 4.02Å; L762-L768 HydrophobicContact CD2-CD2 3.82Å; L762-L768 HydrophobicContact CD2-CG 4.1Å |
| 763 | L | 86.8 | Confident | 79.2 | Confident | 65 Ų | 65 | 80.1 Ų | 80.1 | 34% | 0.34 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -62 | -32.2 | 175.9 | -68.9 | 172 | 0 | 0 | 0 | 113.2 | I689 I719 K721 R759 G766 | I689-L763 HydrophobicContact CD1-CD1 3.88Å; I689-L763 HydrophobicContact CD1-CD2 3.93Å; I689-L763 HydrophobicContact CD1-CG 3.85Å; I719-L763 HydrophobicContact CG2-CD2 4.08Å; K721-L763 HydrophobicContact CD-CD2 4.35Å; K721-L763 HydrophobicContact CG-CD2 3.62Å; R759-L763 WeakPolarHBondContact O-CG 3.41Å; R759-L763 PolarHBondContact O-N 2.95Å; L763-G766 PolarHBondContact O-N 3.31Å |
| 764 | Q | 85.6 | Confident | 77.5 | Confident | 151 Ų | 151 | 86.4 Ų | 86.4 | 71% | 0.706 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -73.6 | -27.1 | 173.1 | -81.3 | 169.3 | 95.5 | 0 | 0 | 113.6 | Q760 Q761 L762 | Q760-Q764 WeakPolarHBondContact O-CB 3.34Å; Q760-Q764 VanDerWaalsContact O-CG 3.28Å; Q760-Q764 WeakPolarHBondContact O-CG 3.15Å; Q760-Q764 PolarHBondContact O-N 3.34Å; Q760-Q764 PolarHBondContact O-NE2 2.8Å; Q761-Q764 PolarHBondContact O-N 3Å; L762-Q764 VanDerWaalsContact C-N 3.28Å; L762-Q764 PolarHBondContact O-N 3.47Å |
| 765 | R | 84.9 | Confident | 75.6 | Confident | 149 Ų | 149 | 86.6 Ų | 86.6 | 56% | 0.562 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -76.4 | -35.2 | 170.3 | -73.4 | -175.6 | 171.8 | 113.2 | -3.1 | 111.7 | Q761 L762 Y767 | Q761-R765 PolarHBondContact O-N 3.38Å; Q761-R765 VanDerWaalsContact O-N 3.11Å; L762-R765 PolarHBondContact O-N 3.03Å; R765-Y767 PolarHBondContact O-N 3.32Å |
| 766 | G | 85.7 | Confident | 73.6 | Confident | 28 Ų | 28 | 88 Ų | 88 | 29% | 0.289 | 48% | 0.479 | S | S | . | . | trans | 68.3 | -5.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | I719 L762 L763 | I719-G766 PolarHBondContact N-O 3.35Å; L762-G766 PolarHBondContact O-N 3.03Å; L763-G766 PolarHBondContact O-N 3.31Å | ||
| 767 | Y | 88.6 | Confident | 71.2 | Confident | 102 Ų | 102 | 88 Ų | 88 | 40% | 0.4 | 48% | 0.481 | S | S | . | . | B | Isolated β-bridge | trans | -153.2 | 145.4 | -173.2 | -124.1 | -91.9 | 0 | 0 | 0 | 110.3 | R715 E716 G717 Q718 R765 | R715-Y767 HydrophobicContact CB-CE2 4.49Å; R715-Y767 WeakPolarHBondContact CB-OH 3.24Å; E716-Y767 WeakPolarHBondContact O-CE1 3.38Å; E716-Y767 PolarHBondContact O-OH 3Å; G717-Y767 CarbonylContact O-C 3.6Å; G717-Y767 WeakPolarHBondContact O-CA 3.41Å; G717-Y767 WeakPolarHBondContact O-CD1 3.16Å; Q718-Y767 HydrophobicContact CB-CD2 4.2Å; Q718-Y767 HydrophobicContact CB-CE2 3.84Å; Q718-Y767 HydrophobicContact CG-CD2 4.48Å; Q718-Y767 HydrophobicContact CG-CE2 4.36Å; R765-Y767 PolarHBondContact O-N 3.32Å |
| 768 | L | 86.3 | Confident | 68.8 | Low | 23 Ų | 23 | 88 Ų | 88 | 12% | 0.12 | 49% | 0.487 | C | S | . | . | trans | -124 | 133 | 163.8 | -80.1 | 178.1 | 0 | 0 | 0 | 108.4 | V691 G717 I719 L762 | V691-L768 HydrophobicContact CG2-CB 4.21Å; G717-L768 WeakPolarHBondContact CA-O 3.48Å; G717-L768 PolarHBondContact O-N 2.88Å; I719-L768 HydrophobicContact CD1-CB 4.17Å; I719-L768 HydrophobicContact CD1-CD1 3.7Å; I719-L768 HydrophobicContact CD1-CG 3.72Å; I719-L768 HydrophobicContact CG1-CG 4.29Å; L762-L768 HydrophobicContact CD1-CD1 4.47Å; L762-L768 HydrophobicContact CD2-CD1 4.02Å; L762-L768 HydrophobicContact CD2-CD2 3.82Å; L762-L768 HydrophobicContact CD2-CG 4.1Å | ||
| 769 | S | 72.4 | Confident | 66.5 | Low | 60 Ų | 60 | 95.7 Ų | 95.7 | 42% | 0.42 | 53% | 0.525 | S | S | . | . | trans | -70.8 | 136.5 | 168.6 | -60.8 | 0 | 0 | 0 | 0 | 109.7 | D771 I772 | S769-D771 PolarHBondContact O-N 3.16Å; S769-D771 VanDerWaalsContact O-N 3.1Å; S769-I772 PolarHBondContact O-N 3.26Å | ||
| 770 | P | 61.3 | Low | 64.4 | Low | 63 Ų | 63 | 94 Ų | 94 | 41% | 0.409 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -51.8 | -32.7 | 175.8 | -28.9 | 35.5 | 0 | 0 | 0 | 113.9 | E716 I772 L773 | E716-P770 HydrophobicContact CG-CG 4.39Å; E716-P770 WeakPolarHBondContact OE1-CG 3.48Å; P770-I772 PolarHBondContact O-N 3.33Å; P770-L773 WeakPolarHBondContact O-CA 3.23Å; P770-L773 WeakPolarHBondContact O-CB 3.38Å; P770-L773 PolarHBondContact O-N 3.01Å |
| 771 | D | 52.1 | Low | 62.6 | Low | 127 Ų | 127 | 90.6 Ų | 90.6 | 68% | 0.679 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -55.6 | -35.6 | 178.1 | -46.9 | -64.8 | 0 | 0 | 0 | 113.5 | S769 L773 L774 E775 | S769-D771 PolarHBondContact O-N 3.16Å; S769-D771 VanDerWaalsContact O-N 3.1Å; D771-L773 VanDerWaalsContact C-N 3.26Å; D771-L773 PolarHBondContact O-N 2.62Å; D771-L774 PolarHBondContact O-N 3.41Å; D771-E775 PolarHBondContact O-N 3.31Å |
| 772 | I | 57.8 | Low | 60.7 | Low | 115 Ų | 115 | 92.4 Ų | 92.4 | 59% | 0.59 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.5 | -17.9 | -179.1 | -62.1 | 178.1 | 0 | 0 | 0 | 111.3 | S769 P770 | S769-I772 PolarHBondContact O-N 3.26Å; P770-I772 PolarHBondContact O-N 3.33Å |
| 773 | L | 55.5 | Low | 58.9 | Low | 59 Ų | 59 | 92.6 Ų | 92.6 | 31% | 0.309 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -77.6 | -26.6 | 176.5 | -145.4 | 167.5 | 0 | 0 | 0 | 111.2 | V691 P770 D771 V783 | V691-L773 HydrophobicContact CG1-CD1 3.92Å; P770-L773 WeakPolarHBondContact O-CA 3.23Å; P770-L773 WeakPolarHBondContact O-CB 3.38Å; P770-L773 PolarHBondContact O-N 3.01Å; D771-L773 VanDerWaalsContact C-N 3.26Å; D771-L773 PolarHBondContact O-N 2.62Å; L773-V783 HydrophobicContact CD1-CG2 4.35Å; L773-V783 HydrophobicContact CD2-CB 3.72Å; L773-V783 HydrophobicContact CD2-CG1 3.99Å; L773-V783 HydrophobicContact CD2-CG2 3.73Å; L773-V783 HydrophobicContact CG-CB 4.4Å; L773-V783 HydrophobicContact CG-CG2 3.85Å |
| 774 | L | 48 | Very low | 56.8 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 82% | 0.822 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -95.4 | -26.2 | -175 | -169.7 | 61.8 | 0 | 0 | 0 | 114.1 | D771 G776 | D771-L774 PolarHBondContact O-N 3.41Å; L774-G776 PolarHBondContact O-N 2.6Å; L774-G776 VanDerWaalsContact O-N 3.15Å |
| 775 | E | 38.7 | Very low | 54.5 | Low | 163 Ų | 163 | 93.2 Ų | 93.2 | 76% | 0.762 | 54% | 0.538 | S | S | * | . | trans | -83.3 | 95.4 | -175 | -163.6 | 174 | -147.1 | 0 | 0 | 112.8 | D771 S777 | D771-E775 PolarHBondContact O-N 3.31Å; E775-S777 VanDerWaalsContact C-N 3.28Å; E775-S777 PolarHBondContact O-N 3.29Å | ||
| 776 | G | 44.2 | Very low | 52.2 | Low | 89 Ų | 89 | 90.5 Ų | 90.5 | 92% | 0.918 | 54% | 0.538 | S | S | * | . | trans | -65.9 | 72.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | L774 | L774-G776 PolarHBondContact O-N 2.6Å; L774-G776 VanDerWaalsContact O-N 3.15Å | ||
| 777 | S | 31.2 | Very low | 49.7 | Very low | 90 Ų | 90 | 93.8 Ų | 93.8 | 63% | 0.629 | 56% | 0.562 | S | S | * | * | trans | -112.9 | 137.6 | 170.2 | -166.5 | 0 | 0 | 0 | 0 | 110.7 | E775 G780 | E775-S777 VanDerWaalsContact C-N 3.28Å; E775-S777 PolarHBondContact O-N 3.29Å; S777-G780 PolarHBondContact O-N 2.69Å | ||
| 778 | G | 36.4 | Very low | 47.3 | Very low | 64 Ų | 64 | 94.6 Ų | 94.6 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | 140.3 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 779 | N | 36.8 | Very low | 44.9 | Very low | 177 Ų | 177 | 97.4 Ų | 97.4 | 95% | 0.947 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 81.3 | 10.3 | -175.2 | -42.1 | -82.5 | 0 | 0 | 0 | 116.6 | ||
| 780 | G | 41.3 | Very low | 43.2 | Very low | 54 Ų | 54 | 101.9 Ų | 101.9 | 56% | 0.557 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -70.2 | 151.8 | 159 | 0 | 0 | 0 | 0 | 0 | 112.2 | S777 | S777-G780 PolarHBondContact O-N 2.69Š|
| 781 | P | 47.3 | Very low | 42.1 | Very low | 54 Ų | 54 | 100.2 Ų | 100.2 | 35% | 0.351 | 61% | 0.607 | S | S | . | * | P | Polyproline II helix | trans | -71.7 | 133.8 | 173.5 | 31.9 | -34.1 | 0 | 0 | 0 | 110.4 | V751 A752 V753 | V751-P781 HydrophobicContact CG1-CB 3.71Å; V751-P781 HydrophobicContact CG1-CG 3.87Å; A752-P781 WeakPolarHBondContact O-CB 3.43Å; V753-P781 HydrophobicContact CG2-CB 3.82Å |
| 782 | F | 45.7 | Very low | 41.6 | Very low | 138 Ų | 138 | 100.1 Ų | 100.1 | 61% | 0.605 | 61% | 0.613 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -77.4 | 130.2 | -175.1 | -171.1 | -94.8 | 0 | 0 | 0 | 110.2 | A752 Y784 | A752-F782 WeakPolarHBondContact CA-O 3.33Å; A752-F782 HydrophobicContact CB-CB 4.37Å; A752-F782 WeakPolarHBondContact CB-O 3.19Å; A752-F782 PolarHBondContact N-O 2.81Å; A752-F782 PolarHBondContact O-N 3.48Å; F782-Y784 HydrophobicContact CD1-CD1 4.29Å; F782-Y784 HydrophobicContact CD1-CE1 4.2Å; F782-Y784 AromaticContact CE1-CD1 3.87Å; F782-Y784 HydrophobicContact CE1-CD1 3.87Å; F782-Y784 AromaticContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CG 4.49Å |
| 783 | V | 51.3 | Low | 41.2 | Very low | 17 Ų | 17 | 96.7 Ų | 96.7 | 10% | 0.103 | 60% | 0.598 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -101.5 | 131 | 172.5 | 177 | 0 | 0 | 0 | 0 | 108.8 | A749 E750 V751 L773 S785 | A749-V783 HydrophobicContact CB-CG1 3.63Å; E750-V783 WeakPolarHBondContact O-CA 3.42Å; V751-V783 HydrophobicContact CG1-CG2 4.46Å; V751-V783 HydrophobicContact CG2-CG2 4.17Å; L773-V783 HydrophobicContact CD1-CG2 4.35Å; L773-V783 HydrophobicContact CD2-CB 3.72Å; L773-V783 HydrophobicContact CD2-CG1 3.99Å; L773-V783 HydrophobicContact CD2-CG2 3.73Å; L773-V783 HydrophobicContact CG-CB 4.4Å; L773-V783 HydrophobicContact CG-CG2 3.85Å; V783-S785 PolarHBondContact O-N 3.29Å |
| 784 | Y | 42.8 | Very low | 40.6 | Very low | 142 Ų | 142 | 98.1 Ų | 98.1 | 56% | 0.557 | 61% | 0.611 | S | S | * | * | trans | -76.1 | 102.3 | 171 | -69.4 | -74.5 | 0 | 0 | 0 | 108.8 | E750 A752 F782 T786 | E750-Y784 PolarHBondContact O-N 2.66Å; A752-Y784 HydrophobicContact CB-CD2 4.4Å; A752-Y784 HydrophobicContact CB-CE2 3.84Å; F782-Y784 HydrophobicContact CD1-CD1 4.29Å; F782-Y784 HydrophobicContact CD1-CE1 4.2Å; F782-Y784 AromaticContact CE1-CD1 3.87Å; F782-Y784 HydrophobicContact CE1-CD1 3.87Å; F782-Y784 AromaticContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CE1 3.91Å; F782-Y784 HydrophobicContact CE1-CG 4.49Å; Y784-T786 PolarHBondContact O-N 3.22Å | ||
| 785 | S | 36 | Very low | 40.2 | Very low | 86 Ų | 86 | 99.8 Ų | 99.8 | 60% | 0.601 | 61% | 0.612 | S | S | * | * | trans | -69.1 | 93.1 | -178.8 | -63.2 | 0 | 0 | 0 | 0 | 112.4 | V783 | V783-S785 PolarHBondContact O-N 3.29Š| ||
| 786 | T | 36.3 | Very low | 40.5 | Very low | 93 Ų | 93 | 96.5 Ų | 96.5 | 57% | 0.571 | 61% | 0.605 | S | S | * | * | trans | -67 | 146.1 | 144.9 | 40.6 | 0 | 0 | 0 | 0 | 109.1 | Y784 H788 | Y784-T786 PolarHBondContact O-N 3.22Å; T786-H788 PolarHBondContact O-N 2.96Å | ||
| 787 | A | 34.1 | Very low | 40.3 | Very low | 96 Ų | 96 | 103.5 Ų | 103.5 | 79% | 0.793 | 60% | 0.603 | S | S | * | * | trans | -62 | 130.3 | -159.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | T789 | A787-T789 PolarHBondContact O-N 3.23Å; A787-T789 VanDerWaalsContact O-N 3.08Å | ||
| 788 | H | 37.2 | Very low | 40.5 | Very low | 120 Ų | 120 | 111.2 Ų | 111.2 | 56% | 0.556 | 62% | 0.619 | S | S | * | * | trans | -76.5 | 92.5 | 176.9 | -57.4 | -66.2 | 0 | 0 | 0 | 111.3 | T786 | T786-H788 PolarHBondContact O-N 2.96Š| ||
| 789 | T | 36.6 | Very low | 40.6 | Very low | 82 Ų | 82 | 113.8 Ų | 113.8 | 50% | 0.503 | 63% | 0.627 | S | S | . | * | trans | -84.4 | 129 | 162.7 | 171.5 | 0 | 0 | 0 | 0 | 110.1 | A787 G791 | A787-T789 PolarHBondContact O-N 3.23Å; A787-T789 VanDerWaalsContact O-N 3.08Å; T789-G791 VanDerWaalsContact C-N 3.26Å; T789-G791 PolarHBondContact OG1-N 2.67Å; T789-G791 VanDerWaalsContact OG1-N 3.16Å | ||
| 790 | T | 36.8 | Very low | 40.4 | Very low | 153 Ų | 153 | 115.3 Ų | 115.3 | 94% | 0.939 | 63% | 0.625 | S | S | * | * | trans | -89.1 | 12.1 | 172.2 | 48.9 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 791 | G | 38.1 | Very low | 40 | Very low | 28 Ų | 28 | 121.8 Ų | 121.8 | 29% | 0.289 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -86.2 | 164.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T789 | T789-G791 VanDerWaalsContact C-N 3.26Å; T789-G791 PolarHBondContact OG1-N 2.67Å; T789-G791 VanDerWaalsContact OG1-N 3.16Å |
| 792 | P | 42.4 | Very low | 38.9 | Very low | 125 Ų | 125 | 123.5 Ų | 123.5 | 81% | 0.812 | 66% | 0.656 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 144.6 | 169.6 | 28 | -34.7 | 0 | 0 | 0 | 110.4 | ||
| 793 | P | 47.8 | Very low | 38 | Very low | 44 Ų | 44 | 125.5 Ų | 125.5 | 29% | 0.286 | 67% | 0.667 | S | S | . | * | P | Polyproline II helix | trans | -63.4 | 140.6 | -170.4 | 23.4 | -33.7 | 0 | 0 | 0 | 112.4 | M747 K795 | M747-P793 HydrophobicContact CE-CB 3.6Å; M747-P793 HydrophobicContact CE-CG 3.75Å; M747-P793 HydrophobicContact SD-CB 3.94Å; M747-P793 HydrophobicContact SD-CG 4.18Å; P793-K795 PolarHBondContact O-N 3.09Å |
| 794 | P | 42.9 | Very low | 36.9 | Very low | 88 Ų | 88 | 129 Ų | 129 | 57% | 0.571 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 132.2 | -179.5 | 27.4 | -34.2 | 0 | 0 | 0 | 111 | ||
| 795 | K | 41.3 | Very low | 36 | Very low | 192 Ų | 192 | 130.9 Ų | 130.9 | 84% | 0.835 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 131.9 | 177.7 | -65.3 | -177.6 | 179 | -178.8 | 0 | 110.4 | P793 R797 | P793-K795 PolarHBondContact O-N 3.09Å; K795-R797 PolarHBondContact O-N 3.36Å |
| 796 | P | 44.2 | Very low | 35.6 | Very low | 95 Ų | 95 | 129.6 Ų | 129.6 | 62% | 0.617 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 122.6 | 178.8 | 25.8 | -33.4 | 0 | 0 | 0 | 110.9 | P703 | P703-P796 HydrophobicContact CG-CG 4.3Š|
| 797 | R | 39.3 | Very low | 35.9 | Very low | 235 Ų | 235 | 131.6 Ų | 131.6 | 89% | 0.887 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -86 | 128.9 | 170.3 | -66.2 | 178.4 | 85.5 | 149.4 | 0.6 | 108.4 | K795 S799 | K795-R797 PolarHBondContact O-N 3.36Å; R797-S799 PolarHBondContact O-N 3.15Å |
| 798 | R | 36 | Very low | 35.5 | Very low | 253 Ų | 253 | 131.9 Ų | 131.9 | 96% | 0.955 | 72% | 0.724 | S | S | * | * | trans | -70.6 | 105.7 | -174.9 | -173.4 | -177.9 | -172.6 | -177.7 | 4.9 | 111.6 | ||||
| 799 | S | 37.5 | Very low | 35.5 | Very low | 118 Ų | 118 | 134.6 Ų | 134.6 | 83% | 0.825 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 153.1 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 112.9 | R797 | R797-S799 PolarHBondContact O-N 3.15Š|
| 800 | K | 34 | Very low | 35.3 | Very low | 208 Ų | 208 | 136.8 Ų | 136.8 | 90% | 0.904 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -100.9 | 126.1 | -178 | -172.1 | 174.4 | 179.5 | 177.7 | 0 | 110.8 | ||
| 801 | K | 31.6 | Very low | 34.7 | Very low | 190 Ų | 190 | 134.8 Ų | 134.8 | 83% | 0.826 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -68.4 | 148.5 | -174.9 | -179.1 | 176 | 178 | 177.9 | 0 | 113.9 | ||
| 802 | A | 24.9 | Very low | 34.7 | Very low | 90 Ų | 90 | 139.9 Ų | 139.9 | 74% | 0.744 | 77% | 0.772 | S | S | * | * | trans | -133.8 | 160.9 | 162.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 803 | E | 27.1 | Very low | 34.1 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 77% | 0.765 | S | S | * | * | trans | -96.7 | 164.8 | 176.2 | -66.2 | 155.2 | 55.3 | 0 | 0 | 109.8 | ||||
| 804 | S | 28.1 | Very low | 33.7 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 79% | 0.791 | S | S | * | * | cis | -146.1 | -166.2 | 8.3 | -156.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 805 | E | 24 | Very low | 33.2 | Very low | 180 Ų | 180 | 142.9 Ų | 142.9 | 84% | 0.841 | 80% | 0.803 | S | S | * | * | cis | -158.9 | -162.9 | 9.1 | -159.3 | 133.1 | 105.3 | 0 | 0 | 110.4 | ||||
| 806 | G | 27.1 | Very low | 32.8 | Very low | 59 Ų | 59 | 143.1 Ų | 143.1 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -158.2 | -155.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 807 | P | 42.9 | Very low | 32.2 | Very low | 135 Ų | 135 | 147 Ų | 147 | 88% | 0.877 | 82% | 0.819 | S | S | * | * | cis | -124.3 | 163.1 | -28.7 | 39.2 | -26.8 | 0 | 0 | 0 | 112.3 | ||||
| 808 | A | 26.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -146.3 | 136.5 | 172 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 809 | Q | 35.5 | Very low | 31.7 | Very low | 176 Ų | 176 | 135.6 Ų | 135.6 | 82% | 0.822 | 81% | 0.805 | S | S | * | * | trans | -97.4 | 154.3 | 163.7 | -74.3 | -161 | -27.4 | 0 | 0 | 110.6 | ||||
| 810 | P | 32.9 | Very low | 31.8 | Very low | 128 Ų | 128 | 135.8 Ų | 135.8 | 83% | 0.831 | 81% | 0.807 | S | S | * | * | -140.9 | 172.6 | 110 | 34.9 | -20.3 | 0 | 0 | 0 | 115.3 | |||||
| 811 | C | 24.8 | Very low | 32 | Very low | 111 Ų | 111 | 129.4 Ų | 129.4 | 75% | 0.75 | 79% | 0.793 | S | S | * | * | trans | -79.6 | 167.9 | -174.2 | -56.5 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 812 | P | 38.7 | Very low | 32.4 | Very low | 135 Ų | 135 | 128 Ų | 128 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | -87.8 | 153.4 | -157 | 34.1 | -36.4 | 0 | 0 | 0 | 115.9 | ||||
| 813 | G | 29.2 | Very low | 33.8 | Very low | 66 Ų | 66 | 131.1 Ų | 131.1 | 68% | 0.68 | 80% | 0.798 | S | S | * | * | trans | -132.2 | 166.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 814 | P | 39 | Very low | 35.4 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | trans | -68.2 | 139 | -174 | -18.2 | 31.8 | 0 | 0 | 0 | 112.4 | K816 | P814-K816 PolarHBondContact O-N 3.24Å; P814-K816 VanDerWaalsContact O-N 3.16Å | ||
| 815 | P | 33.5 | Very low | 37.7 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | -66.9 | 115.9 | 177.8 | 27.2 | -33.6 | 0 | 0 | 0 | 110.4 | ||||
| 816 | K | 32.1 | Very low | 40.7 | Very low | 197 Ų | 197 | 122.1 Ų | 122.1 | 86% | 0.857 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 143.6 | 157.8 | -81.5 | -177 | 175.6 | 177.7 | 0 | 108.4 | P814 V818 | P814-K816 PolarHBondContact O-N 3.24Å; P814-K816 VanDerWaalsContact O-N 3.16Å; K816-V818 PolarHBondContact O-N 3.4Å; K816-V818 VanDerWaalsContact O-N 3.17Å |
| 817 | L | 32.3 | Very low | 43.6 | Very low | 175 Ų | 175 | 121.3 Ų | 121.3 | 92% | 0.916 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 118.2 | 169.8 | -63.7 | 166.7 | 0 | 0 | 0 | 109 | P819 | L817-P819 WeakPolarHBondContact O-CD 3.49Š|
| 818 | V | 28.7 | Very low | 45.9 | Very low | 135 Ų | 135 | 117.5 Ų | 117.5 | 82% | 0.818 | 72% | 0.72 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 123.1 | 168 | -80 | 0 | 0 | 0 | 0 | 108.9 | K816 | K816-V818 PolarHBondContact O-N 3.4Å; K816-V818 VanDerWaalsContact O-N 3.17Å |
| 819 | P | 35.8 | Very low | 49.1 | Very low | 115 Ų | 115 | 113.4 Ų | 113.4 | 75% | 0.747 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 140.3 | 163.6 | -13.6 | 30 | 0 | 0 | 0 | 109.3 | L817 A821 | L817-P819 WeakPolarHBondContact O-CD 3.49Å; P819-A821 PolarHBondContact O-N 3.07Å |
| 820 | S | 38.9 | Very low | 51.9 | Low | 122 Ų | 122 | 107.5 Ų | 107.5 | 85% | 0.853 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -63 | 134.5 | 173.8 | -50.4 | 0 | 0 | 0 | 0 | 110.9 | ||
| 821 | A | 39.2 | Very low | 54.8 | Low | 74 Ų | 74 | 101.5 Ų | 101.5 | 61% | 0.612 | 62% | 0.621 | S | S | * | * | trans | 54.8 | 111 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | P819 L823 | P819-A821 PolarHBondContact O-N 3.07Å; A821-L823 HydrophobicContact CB-CD2 4.39Å; A821-L823 HydrophobicContact CB-CG 4.5Å; A821-L823 PolarHBondContact O-N 2.96Å | ||
| 822 | D | 39.4 | Very low | 58 | Low | 159 Ų | 159 | 98 Ų | 98 | 85% | 0.85 | 60% | 0.599 | S | S | * | * | trans | -60 | 96.9 | 148.1 | -91.4 | -50.7 | 0 | 0 | 0 | 107.6 | K824 | D822-K824 PolarHBondContact O-N 3.46Š| ||
| 823 | L | 53.3 | Low | 60.5 | Low | 157 Ų | 157 | 97.5 Ų | 97.5 | 82% | 0.822 | 58% | 0.584 | S | S | * | * | trans | -69.2 | 67.8 | 167 | -69.8 | 177.8 | 0 | 0 | 0 | 108.7 | A821 A825 | A821-L823 HydrophobicContact CB-CD2 4.39Å; A821-L823 HydrophobicContact CB-CG 4.5Å; A821-L823 PolarHBondContact O-N 2.96Å; L823-A825 PolarHBondContact O-N 3.14Å | ||
| 824 | K | 61.8 | Low | 63.5 | Low | 109 Ų | 109 | 98.1 Ų | 98.1 | 47% | 0.474 | 57% | 0.571 | S | S | . | * | trans | -52.2 | 112 | 173.5 | -165.9 | -173.3 | -179.8 | -157.9 | 0 | 106.6 | D822 G862 | D822-K824 PolarHBondContact O-N 3.46Å; K824-G862 WeakPolarHBondContact CD-O 3.31Å | ||
| 825 | A | 77 | Confident | 66 | Low | 74 Ų | 74 | 92.7 Ų | 92.7 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | trans | -52.7 | 137.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L823 H827 | L823-A825 PolarHBondContact O-N 3.14Å; A825-H827 PolarHBondContact O-CD2 3.05Å; A825-H827 PolarHBondContact O-N 3.05Å; A825-H827 VanDerWaalsContact O-N 3.11Å | ||
| 826 | P | 86.8 | Confident | 68.6 | Low | 80 Ų | 80 | 89.2 Ų | 89.2 | 52% | 0.519 | 51% | 0.509 | S | S | . | . | trans | -53.2 | 121.9 | -172.6 | -27.5 | 35 | 0 | 0 | 0 | 111.1 | T859 V860 F861 | P826-T859 HydrophobicContact CB-CG2 3.82Å; P826-V860 CarbonylContact C-O 3.6Å; P826-V860 VanDerWaalsContact CA-O 3.24Å; P826-V860 WeakPolarHBondContact CA-O 3.22Å; P826-F861 HydrophobicContact CB-CD1 3.91Å; P826-F861 HydrophobicContact CB-CE1 3.94Å; P826-F861 HydrophobicContact CG-CD1 3.62Å; P826-F861 HydrophobicContact CG-CE1 3.8Å | ||
| 827 | H | 87.3 | Confident | 71.2 | Confident | 41 Ų | 41 | 80 Ų | 80 | 19% | 0.19 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 131.6 | -170.5 | 55.6 | 93.8 | 0 | 0 | 0 | 109.6 | A825 M829 V860 G862 Y870 | A825-H827 PolarHBondContact O-CD2 3.05Å; A825-H827 PolarHBondContact O-N 3.05Å; A825-H827 VanDerWaalsContact O-N 3.11Å; H827-M829 PolarHBondContact CE1-SD 3.36Å; H827-V860 WeakPolarHBondContact CE1-CG1 3.19Å; H827-V860 PolarHBondContact N-O 3.32Å; H827-V860 VanDerWaalsContact NE2-CG1 3.29Å; H827-V860 WeakPolarHBondContact NE2-CG1 3.49Å; H827-V860 PolarHBondContact O-N 3.36Å; H827-G862 PolarHBondContact NE2-O 2.96Å; H827-Y870 AromaticContact CE1-CE1 3.92Å |
| 828 | S | 91.9 | Very high | 73.5 | Confident | 56 Ų | 56 | 78.5 Ų | 78.5 | 39% | 0.392 | 46% | 0.458 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 127.8 | -178.8 | -55.2 | 0 | 0 | 0 | 0 | 110.2 | I858 P889 | S828-I858 CarbonylContact C-O 3.55Å; S828-I858 WeakPolarHBondContact CA-O 3.48Å; S828-P889 WeakPolarHBondContact O-CB 3.3Å; S828-P889 VanDerWaalsContact O-CD 3.27Å; S828-P889 WeakPolarHBondContact O-CD 3.43Å; S828-P889 WeakPolarHBondContact O-CG 3.39Å |
| 829 | M | 92.7 | Very high | 76 | Confident | 16 Ų | 16 | 79.7 Ų | 79.7 | 8% | 0.079 | 46% | 0.455 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 158.1 | 172.9 | -62 | -176.9 | 71.8 | 0 | 0 | 109.2 | H827 I858 V860 Y870 L886 | H827-M829 PolarHBondContact CE1-SD 3.36Å; M829-I858 PolarHBondContact N-O 2.76Å; M829-I858 PolarHBondContact O-N 3.47Å; M829-V860 HydrophobicContact CB-CG2 4.5Å; M829-V860 HydrophobicContact CG-CG2 4.26Å; M829-V860 HydrophobicContact SD-CB 4.4Å; M829-V860 HydrophobicContact SD-CG2 3.93Å; M829-Y870 HydrophobicContact CE-CE2 4.03Å; M829-Y870 HydrophobicContact SD-CD2 4.32Å; M829-Y870 HydrophobicContact SD-CE2 3.89Å; M829-L886 HydrophobicContact CB-CB 4.19Å; M829-L886 HydrophobicContact CB-CD1 3.97Å; M829-L886 HydrophobicContact CE-CB 3.74Å; M829-L886 HydrophobicContact CE-CD1 4.26Å; M829-L886 HydrophobicContact SD-CB 4.43Å; M829-L886 HydrophobicContact SD-CD1 3.91Å |
| 830 | V | 93.9 | Very high | 77.8 | Confident | 53 Ų | 53 | 77.1 Ų | 77.1 | 32% | 0.321 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 130.1 | -178.4 | -174.9 | 0 | 0 | 0 | 0 | 109 | A832 D856 L886 E887 | V830-A832 PolarHBondContact O-N 3.18Å; V830-D856 WeakPolarHBondContact CA-O 3.36Å; V830-L886 WeakPolarHBondContact O-CA 3.4Å; V830-E887 PolarHBondContact N-O 3.08Å; V830-E887 PolarHBondContact O-N 2.87Å |
| 831 | A | 94.4 | Very high | 79.5 | Confident | 2 Ų | 2 | 72.4 Ų | 72.4 | 2% | 0.017 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.7 | 119.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | F852 R853 A854 G855 D856 I858 F885 | A831-F852 HydrophobicContact CB-CD2 3.42Å; A831-F852 VanDerWaalsContact CB-CD2 3.42Å; A831-F852 HydrophobicContact CB-CE2 3.76Å; A831-F852 HydrophobicContact CB-CG 4.38Å; A831-R853 VanDerWaalsContact CB-O 3.3Å; A831-R853 WeakPolarHBondContact CB-O 3.21Å; A831-A854 CarbonylContact O-C 3.57Å; A831-A854 WeakPolarHBondContact O-CA 3.43Å; A831-G855 PolarHBondContact O-N 3.38Å; A831-D856 HydrophobicContact CB-CB 4.42Å; A831-D856 PolarHBondContact N-O 2.69Å; A831-I858 HydrophobicContact CB-CD1 4.26Å; A831-F885 CarbonylContact C-O 3.4Å; A831-F885 WeakPolarHBondContact CA-O 3.33Å |
| 832 | A | 91.8 | Very high | 81 | Confident | 36 Ų | 36 | 74.8 Ų | 74.8 | 30% | 0.298 | 42% | 0.416 | S | S | . | . | S | Bend | trans | -78.3 | -26.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V830 F885 E887 | V830-A832 PolarHBondContact O-N 3.18Å; A832-F885 PolarHBondContact N-O 3.31Å; A832-E887 HydrophobicContact CB-CB 4.39Å |
| 833 | F | 92.1 | Very high | 82.6 | Confident | 126 Ų | 126 | 70.8 Ų | 70.8 | 55% | 0.553 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -137.1 | 161.2 | -175.9 | -51.8 | -67.9 | 0 | 0 | 0 | 111.1 | F885 | F833-F885 HydrophobicContact CB-CD1 3.94Å; F833-F885 HydrophobicContact CB-CE1 4.42Å |
| 834 | D | 92.1 | Very high | 83.1 | Confident | 78 Ų | 78 | 71.8 Ų | 71.8 | 42% | 0.417 | 40% | 0.397 | S | S | . | . | trans | -69.8 | 141.4 | 168.5 | -77.7 | 11.6 | 0 | 0 | 0 | 109.9 | R853 A854 | D834-R853 WeakPolarHBondContact OD1-CA 3.5Å; D834-R853 IonicContact OD1-CZ 2.67Å; D834-R853 IonicContact OD1-NE 3.31Å; D834-R853 IonicContact OD1-NH2 2.66Å; D834-R853 PolarHBondContact OD1-NH2 3.49Å; D834-R853 IonicContact OD2-CZ 2.68Å; D834-R853 IonicContact OD2-NE 2.67Å; D834-R853 PolarHBondContact OD2-NE 3.21Å; D834-R853 IonicContact OD2-NH2 3.62Å; D834-R853 PolarHBondContact OD2-NH2 3.02Å; D834-A854 PolarHBondContact OD1-N 2.62Å | ||
| 835 | Y | 91.9 | Very high | 83.5 | Confident | 13 Ų | 13 | 72.6 Ų | 72.6 | 5% | 0.051 | 41% | 0.406 | C | S | . | . | B | Isolated β-bridge | trans | -134.8 | 126.7 | 174.6 | -170.8 | -113.4 | 0 | 0 | 0 | 111.8 | P837 E849 F852 P882 F885 | Y835-P837 HydrophobicContact CD1-CG 4.32Å; Y835-P837 HydrophobicContact CE1-CG 3.99Å; Y835-E849 PolarHBondContact OH-OE2 2.8Å; Y835-F852 VanDerWaalsContact CB-CE2 3.41Å; Y835-F852 HydrophobicContact CD1-CD1 4.31Å; Y835-F852 AromaticContact CD1-CE1 3.64Å; Y835-F852 HydrophobicContact CD1-CE1 3.64Å; Y835-F852 AromaticContact CD1-CZ 3.99Å; Y835-F852 HydrophobicContact CD1-CZ 3.99Å; Y835-F852 AromaticContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE2 4.4Å; Y835-F852 AromaticContact CG-CZ 3.8Å; Y835-F852 HydrophobicContact CG-CZ 3.8Å; Y835-F852 PolarHBondContact N-O 3.29Å; Y835-F852 PolarHBondContact O-N 3.44Å; Y835-F852 VanDerWaalsContact O-N 3.12Å; Y835-F852 VanDerWaalsContact O-O 3.05Å; Y835-P882 HydrophobicContact CD1-CG 4.18Å; Y835-P882 HydrophobicContact CD2-CG 4.15Å; Y835-P882 HydrophobicContact CE1-CG 3.88Å; Y835-P882 HydrophobicContact CE2-CG 3.86Å; Y835-P882 HydrophobicContact CG-CG 4.3Å; Y835-F885 AromaticContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD2 4.42Å; Y835-F885 AromaticContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE2 4.13Å; Y835-F885 HydrophobicContact CD2-CG 4.34Å; Y835-F885 AromaticContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CE2-CE1 4.39Å; Y835-F885 HydrophobicContact CE2-CE2 4.22Å; Y835-F885 HydrophobicContact CE2-CZ 4.05Å; Y835-F885 HydrophobicContact CG-CD1 4.34Å; Y835-F885 HydrophobicContact CG-CE1 4.42Å |
| 836 | N | 87.9 | Confident | 83.5 | Confident | 55 Ų | 55 | 70.6 Ų | 70.6 | 29% | 0.294 | 39% | 0.386 | S | S | . | . | trans | -128.2 | 106.6 | 177.7 | -179.1 | 9.3 | 0 | 0 | 0 | 108.8 | Q838 E839 S840 | N836-Q838 PolarHBondContact O-N 2.89Å; N836-Q838 VanDerWaalsContact O-N 3.15Å; N836-Q838 PolarHBondContact OD1-N 2.85Å; N836-E839 HydrophobicContact CB-CB 4.37Å; N836-E839 WeakPolarHBondContact ND2-CG 3.32Å; N836-E839 PolarHBondContact ND2-OE2 3.22Å; N836-E839 PolarHBondContact O-N 2.92Å; N836-S840 VanDerWaalsContact O-CB 3.29Å; N836-S840 WeakPolarHBondContact O-CB 3.34Å; N836-S840 PolarHBondContact O-N 3.03Å; N836-S840 PolarHBondContact O-OG 2.76Å | ||
| 837 | P | 87 | Confident | 83.2 | Confident | 5 Ų | 5 | 75.8 Ų | 75.8 | 3% | 0.032 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -51.1 | -39.2 | -179.5 | -30.6 | 36.9 | 0 | 0 | 0 | 113.4 | Y835 E839 S841 V846 E849 | Y835-P837 HydrophobicContact CD1-CG 4.32Å; Y835-P837 HydrophobicContact CE1-CG 3.99Å; P837-E839 PolarHBondContact O-N 3.45Å; P837-S841 WeakPolarHBondContact O-CB 2.96Å; P837-S841 PolarHBondContact O-N 3.39Å; P837-V846 HydrophobicContact CB-CB 4.14Å; P837-V846 HydrophobicContact CB-CG1 4.43Å; P837-E849 HydrophobicContact CB-CB 3.97Å; P837-E849 WeakPolarHBondContact CB-OE2 3.12Å; P837-E849 HydrophobicContact CG-CB 3.69Å |
| 838 | Q | 79.1 | Confident | 83 | Confident | 142 Ų | 142 | 76.2 Ų | 76.2 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -67 | -17.2 | -177.8 | -58.1 | -70.2 | -39.9 | 0 | 0 | 114.4 | N836 | N836-Q838 PolarHBondContact O-N 2.89Å; N836-Q838 VanDerWaalsContact O-N 3.15Å; N836-Q838 PolarHBondContact OD1-N 2.85Å |
| 839 | E | 80.8 | Confident | 82.9 | Confident | 161 Ų | 161 | 74 Ų | 74 | 75% | 0.752 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -121.1 | -20.7 | -178.6 | -69 | 172.8 | 156 | 0 | 0 | 112.9 | N836 P837 | N836-E839 HydrophobicContact CB-CB 4.37Å; N836-E839 WeakPolarHBondContact ND2-CG 3.32Å; N836-E839 PolarHBondContact ND2-OE2 3.22Å; N836-E839 PolarHBondContact O-N 2.92Å; P837-E839 PolarHBondContact O-N 3.45Å |
| 840 | S | 74.1 | Confident | 82.9 | Confident | 61 Ų | 61 | 73.4 Ų | 73.4 | 43% | 0.427 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -120.1 | -11.1 | -169.9 | -54.4 | 0 | 0 | 0 | 0 | 114.3 | N836 | N836-S840 VanDerWaalsContact O-CB 3.29Å; N836-S840 WeakPolarHBondContact O-CB 3.34Å; N836-S840 PolarHBondContact O-N 3.03Å; N836-S840 PolarHBondContact O-OG 2.76Å |
| 841 | S | 75.5 | Confident | 82.8 | Confident | 22 Ų | 22 | 74 Ų | 74 | 15% | 0.154 | 40% | 0.399 | C | S | . | . | trans | -93.6 | 134.4 | 176.9 | -165.7 | 0 | 0 | 0 | 0 | 111.7 | P837 N843 E849 | P837-S841 WeakPolarHBondContact O-CB 2.96Å; P837-S841 PolarHBondContact O-N 3.39Å; S841-N843 VanDerWaalsContact C-N 3.27Å; S841-N843 WeakPolarHBondContact OG-CB 3.21Å; S841-N843 PolarHBondContact OG-N 2.76Å; S841-N843 VanDerWaalsContact OG-N 3.15Å; S841-N843 PolarHBondContact OG-ND2 2.83Å; S841-E849 WeakPolarHBondContact CB-OE2 3.04Å; S841-E849 VanDerWaalsContact OG-CD 3.24Å; S841-E849 PolarHBondContact OG-OE1 3.3Å; S841-E849 PolarHBondContact OG-OE2 3.37Å; S841-E849 VanDerWaalsContact OG-OE2 3.07Å | ||
| 842 | P | 70.8 | Confident | 82.8 | Confident | 125 Ų | 125 | 74.2 Ų | 74.2 | 81% | 0.812 | 40% | 0.4 | S | S | * | . | trans | -83.7 | -2.7 | 166.5 | 36.7 | -35.3 | 0 | 0 | 0 | 112.6 | ||||
| 843 | N | 72.6 | Confident | 82.8 | Confident | 74 Ų | 74 | 79.6 Ų | 79.6 | 40% | 0.396 | 41% | 0.413 | S | S | . | . | S | Bend | trans | -84 | 149 | -176.2 | -60.1 | -36.6 | 0 | 0 | 0 | 111.2 | S841 V846 E849 | S841-N843 VanDerWaalsContact C-N 3.27Å; S841-N843 WeakPolarHBondContact OG-CB 3.21Å; S841-N843 PolarHBondContact OG-N 2.76Å; S841-N843 VanDerWaalsContact OG-N 3.15Å; S841-N843 PolarHBondContact OG-ND2 2.83Å; N843-V846 WeakPolarHBondContact O-CG1 3.5Å; N843-E849 PolarHBondContact ND2-OE1 3.46Å |
| 844 | M | 64.4 | Low | 82.9 | Confident | 179 Ų | 179 | 76.2 Ų | 76.2 | 88% | 0.882 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -73 | -30.8 | 172.2 | -66.6 | 179.5 | 65.2 | 0 | 0 | 112.1 | V846 | M844-V846 PolarHBondContact O-N 3.17Š|
| 845 | D | 69.7 | Low | 82.8 | Confident | 125 Ų | 125 | 74.8 Ų | 74.8 | 67% | 0.668 | 41% | 0.412 | S | S | * | . | trans | -84.5 | 46.9 | -175.7 | -60 | -61.6 | 0 | 0 | 0 | 113.1 | E847 A848 | D845-E847 PolarHBondContact O-N 2.84Å; D845-A848 HydrophobicContact CB-CB 4.44Å; D845-A848 WeakPolarHBondContact O-CB 3.05Å; D845-A848 PolarHBondContact O-N 2.88Å | ||
| 846 | V | 77.6 | Confident | 82.8 | Confident | 32 Ų | 32 | 76.6 Ų | 76.6 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -17.3 | 178.3 | -68.7 | 0 | 0 | 0 | 0 | 114.7 | P837 N843 M844 | P837-V846 HydrophobicContact CB-CB 4.14Å; P837-V846 HydrophobicContact CB-CG1 4.43Å; N843-V846 WeakPolarHBondContact O-CG1 3.5Å; M844-V846 PolarHBondContact O-N 3.17Å |
| 847 | E | 78.9 | Confident | 83.1 | Confident | 190 Ų | 190 | 77.9 Ų | 77.9 | 89% | 0.888 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -21.2 | 174.6 | -57.8 | -164.9 | 150.4 | 0 | 0 | 113.7 | D845 E849 | D845-E847 PolarHBondContact O-N 2.84Å; E847-E849 VanDerWaalsContact C-N 3.33Å |
| 848 | A | 83.6 | Confident | 83.5 | Confident | 50 Ų | 50 | 77.7 Ų | 77.7 | 41% | 0.413 | 43% | 0.431 | S | S | . | . | S | Bend | trans | -81.6 | -15.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | D845 G879 L880 | D845-A848 HydrophobicContact CB-CB 4.44Å; D845-A848 WeakPolarHBondContact O-CB 3.05Å; D845-A848 PolarHBondContact O-N 2.88Å; A848-G879 CarbonylContact O-C 3.58Å; A848-G879 WeakPolarHBondContact O-CA 3.47Å; A848-L880 PolarHBondContact O-N 3.27Å |
| 849 | E | 90.9 | Very high | 84.2 | Confident | 10 Ų | 10 | 73.1 Ų | 73.1 | 5% | 0.047 | 41% | 0.413 | C | S | . | . | B | Isolated β-bridge | trans | -94.4 | 146.5 | -178.1 | -67 | 174.9 | -168.5 | 0 | 0 | 112 | Y835 P837 S841 N843 E847 P851 L880 | Y835-E849 PolarHBondContact OH-OE2 2.8Å; P837-E849 HydrophobicContact CB-CB 3.97Å; P837-E849 WeakPolarHBondContact CB-OE2 3.12Å; P837-E849 HydrophobicContact CG-CB 3.69Å; S841-E849 WeakPolarHBondContact CB-OE2 3.04Å; S841-E849 VanDerWaalsContact OG-CD 3.24Å; S841-E849 PolarHBondContact OG-OE1 3.3Å; S841-E849 PolarHBondContact OG-OE2 3.37Å; S841-E849 VanDerWaalsContact OG-OE2 3.07Å; N843-E849 PolarHBondContact ND2-OE1 3.46Å; E847-E849 VanDerWaalsContact C-N 3.33Å; E849-P851 WeakPolarHBondContact O-CD 3.45Å; E849-L880 WeakPolarHBondContact CA-O 3.43Å; E849-L880 HydrophobicContact CG-CB 4.28Å |
| 850 | L | 91.6 | Very high | 84.8 | Confident | 3 Ų | 3 | 65.4 Ų | 65.4 | 2% | 0.016 | 38% | 0.377 | C | S | . | . | P | Polyproline II helix | trans | -93.8 | 119.9 | -175.5 | -170.2 | 67.1 | 0 | 0 | 0 | 110.3 | F852 I858 L874 Q877 L880 V881 | L850-F852 WeakPolarHBondContact O-CD1 3.36Å; L850-I858 HydrophobicContact CD2-CG2 4.22Å; L850-L874 HydrophobicContact CD1-CB 4.45Å; L850-L874 HydrophobicContact CD2-CB 3.75Å; L850-L874 HydrophobicContact CG-CB 4.3Å; L850-Q877 HydrophobicContact CD1-CB 3.71Å; L850-Q877 WeakPolarHBondContact CD1-O 3.49Å; L850-L880 PolarHBondContact N-O 3.45Å; L850-V881 HydrophobicContact CB-CG2 3.82Å; L850-V881 HydrophobicContact CD2-CG2 3.63Å; L850-V881 HydrophobicContact CG-CG2 4.36Å |
| 851 | P | 91.8 | Very high | 85.6 | Confident | 64 Ų | 64 | 65.4 Ų | 65.4 | 42% | 0.416 | 37% | 0.369 | S | S | . | . | P | Polyproline II helix | trans | -74.7 | 138.2 | 171.1 | 29.6 | -33.6 | 0 | 0 | 0 | 111.1 | E849 | E849-P851 WeakPolarHBondContact O-CD 3.45Š|
| 852 | F | 93.8 | Very high | 86.1 | Confident | 7 Ų | 7 | 65.2 Ų | 65.2 | 3% | 0.031 | 37% | 0.371 | C | S | . | . | B | Isolated β-bridge | trans | -155.3 | 168.2 | -179.8 | 57.6 | -98.8 | 0 | 0 | 0 | 112.6 | A831 Y835 L850 D856 I858 L874 V881 F885 L886 | A831-F852 HydrophobicContact CB-CD2 3.42Å; A831-F852 VanDerWaalsContact CB-CD2 3.42Å; A831-F852 HydrophobicContact CB-CE2 3.76Å; A831-F852 HydrophobicContact CB-CG 4.38Å; Y835-F852 VanDerWaalsContact CB-CE2 3.41Å; Y835-F852 HydrophobicContact CD1-CD1 4.31Å; Y835-F852 AromaticContact CD1-CE1 3.64Å; Y835-F852 HydrophobicContact CD1-CE1 3.64Å; Y835-F852 AromaticContact CD1-CZ 3.99Å; Y835-F852 HydrophobicContact CD1-CZ 3.99Å; Y835-F852 AromaticContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE1 3.93Å; Y835-F852 HydrophobicContact CG-CE2 4.4Å; Y835-F852 AromaticContact CG-CZ 3.8Å; Y835-F852 HydrophobicContact CG-CZ 3.8Å; Y835-F852 PolarHBondContact N-O 3.29Å; Y835-F852 PolarHBondContact O-N 3.44Å; Y835-F852 VanDerWaalsContact O-N 3.12Å; Y835-F852 VanDerWaalsContact O-O 3.05Å; L850-F852 WeakPolarHBondContact O-CD1 3.36Å; F852-D856 HydrophobicContact CB-CB 4.45Å; F852-I858 HydrophobicContact CB-CD1 3.8Å; F852-I858 HydrophobicContact CD1-CD1 3.63Å; F852-I858 HydrophobicContact CD2-CD1 3.94Å; F852-I858 HydrophobicContact CE1-CD1 4.17Å; F852-I858 HydrophobicContact CE2-CD1 4.4Å; F852-I858 HydrophobicContact CG-CD1 3.52Å; F852-L874 HydrophobicContact CB-CD2 3.49Å; F852-L874 VanDerWaalsContact CB-CD2 3.49Å; F852-V881 HydrophobicContact CD1-CG1 4.41Å; F852-V881 HydrophobicContact CE1-CG1 3.7Å; F852-V881 HydrophobicContact CZ-CG1 4.12Å; F852-F885 HydrophobicContact CE2-CB 3.84Å; F852-F885 HydrophobicContact CZ-CB 3.67Å; F852-F885 HydrophobicContact CZ-CG 4.31Å; F852-L886 HydrophobicContact CZ-CD2 4.42Å |
| 853 | R | 92.7 | Very high | 86.8 | Confident | 150 Ų | 150 | 61.4 Ų | 61.4 | 57% | 0.566 | 35% | 0.354 | S | S | * | . | trans | -124.8 | 154.5 | -177 | -56.2 | -158.5 | 66.4 | -103.7 | -11.2 | 111.9 | A831 D834 G855 D856 | A831-R853 VanDerWaalsContact CB-O 3.3Å; A831-R853 WeakPolarHBondContact CB-O 3.21Å; D834-R853 WeakPolarHBondContact OD1-CA 3.5Å; D834-R853 IonicContact OD1-CZ 2.67Å; D834-R853 IonicContact OD1-NE 3.31Å; D834-R853 IonicContact OD1-NH2 2.66Å; D834-R853 PolarHBondContact OD1-NH2 3.49Å; D834-R853 IonicContact OD2-CZ 2.68Å; D834-R853 IonicContact OD2-NE 2.67Å; D834-R853 PolarHBondContact OD2-NE 3.21Å; D834-R853 IonicContact OD2-NH2 3.62Å; D834-R853 PolarHBondContact OD2-NH2 3.02Å; R853-G855 PolarHBondContact O-N 2.74Å; R853-D856 PolarHBondContact N-OD2 3.36Å; R853-D856 VanDerWaalsContact O-CB 3.25Å; R853-D856 WeakPolarHBondContact O-CB 3.2Å; R853-D856 PolarHBondContact O-N 3.32Å | ||
| 854 | A | 93.1 | Very high | 87.6 | Confident | 54 Ų | 54 | 62.7 Ų | 62.7 | 45% | 0.446 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | 123.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | A831 D834 | A831-A854 CarbonylContact O-C 3.57Å; A831-A854 WeakPolarHBondContact O-CA 3.43Å; D834-A854 PolarHBondContact OD1-N 2.62Å |
| 855 | G | 90.2 | Very high | 88.8 | Confident | 49 Ų | 49 | 56.7 Ų | 56.7 | 51% | 0.505 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 96.2 | -7.3 | -173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | A831 R853 | A831-G855 PolarHBondContact O-N 3.38Å; R853-G855 PolarHBondContact O-N 2.74Å |
| 856 | D | 93.7 | Very high | 89.6 | Confident | 50 Ų | 50 | 59 Ų | 59 | 27% | 0.267 | 34% | 0.343 | S | S | . | . | trans | -67.3 | 138.9 | 173.5 | -76.9 | -27.6 | 0 | 0 | 0 | 111.2 | V830 A831 F852 R853 L874 | V830-D856 WeakPolarHBondContact CA-O 3.36Å; A831-D856 HydrophobicContact CB-CB 4.42Å; A831-D856 PolarHBondContact N-O 2.69Å; F852-D856 HydrophobicContact CB-CB 4.45Å; R853-D856 PolarHBondContact N-OD2 3.36Å; R853-D856 VanDerWaalsContact O-CB 3.25Å; R853-D856 WeakPolarHBondContact O-CB 3.2Å; R853-D856 PolarHBondContact O-N 3.32Å; D856-L874 HydrophobicContact CB-CD1 4Å; D856-L874 HydrophobicContact CB-CD2 3.89Å | ||
| 857 | V | 93.4 | Very high | 89.9 | Confident | 83 Ų | 83 | 64.2 Ų | 64.2 | 50% | 0.503 | 37% | 0.37 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 104.9 | -179.8 | -177.3 | 0 | 0 | 0 | 0 | 109.1 | ||
| 858 | I | 94.3 | Very high | 90.4 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 130 | -173.5 | -59 | 173.2 | 0 | 0 | 0 | 108.6 | S828 M829 A831 L850 F852 L874 V881 L886 | S828-I858 CarbonylContact C-O 3.55Å; S828-I858 WeakPolarHBondContact CA-O 3.48Å; M829-I858 PolarHBondContact N-O 2.76Å; M829-I858 PolarHBondContact O-N 3.47Å; A831-I858 HydrophobicContact CB-CD1 4.26Å; L850-I858 HydrophobicContact CD2-CG2 4.22Å; F852-I858 HydrophobicContact CB-CD1 3.8Å; F852-I858 HydrophobicContact CD1-CD1 3.63Å; F852-I858 HydrophobicContact CD2-CD1 3.94Å; F852-I858 HydrophobicContact CE1-CD1 4.17Å; F852-I858 HydrophobicContact CE2-CD1 4.4Å; F852-I858 HydrophobicContact CG-CD1 3.52Å; I858-L874 HydrophobicContact CG1-CB 4.28Å; I858-L874 HydrophobicContact CG1-CD1 4.28Å; I858-L874 HydrophobicContact CG1-CD2 4.24Å; I858-L874 HydrophobicContact CG1-CG 4.5Å; I858-V881 HydrophobicContact CD1-CG1 4.15Å; I858-V881 HydrophobicContact CG2-CG2 4.14Å; I858-L886 HydrophobicContact CD1-CD2 3.82Å |
| 859 | T | 94.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 55.4 Ų | 55.4 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 109.9 | 176.3 | -58.9 | 0 | 0 | 0 | 0 | 109.3 | P826 F861 G872 E873 | P826-T859 HydrophobicContact CB-CG2 3.82Å; T859-F861 HydrophobicContact CG2-CE2 4.02Å; T859-F861 HydrophobicContact CG2-CZ 3.92Å; T859-F861 WeakPolarHBondContact O-CD2 3.08Å; T859-F861 VanDerWaalsContact O-CE2 3.23Å; T859-F861 WeakPolarHBondContact O-CE2 3.41Å; T859-G872 CarbonylContact O-C 3.57Å; T859-G872 WeakPolarHBondContact O-CA 3.48Å; T859-E873 PolarHBondContact N-O 2.82Å; T859-E873 PolarHBondContact O-N 2.94Å |
| 860 | V | 94.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 136 | 178.8 | 168.3 | 0 | 0 | 0 | 0 | 110.4 | P826 H827 M829 Y870 L886 | P826-V860 CarbonylContact C-O 3.6Å; P826-V860 VanDerWaalsContact CA-O 3.24Å; P826-V860 WeakPolarHBondContact CA-O 3.22Å; H827-V860 WeakPolarHBondContact CE1-CG1 3.19Å; H827-V860 PolarHBondContact N-O 3.32Å; H827-V860 VanDerWaalsContact NE2-CG1 3.29Å; H827-V860 WeakPolarHBondContact NE2-CG1 3.49Å; H827-V860 PolarHBondContact O-N 3.36Å; M829-V860 HydrophobicContact CB-CG2 4.5Å; M829-V860 HydrophobicContact CG-CG2 4.26Å; M829-V860 HydrophobicContact SD-CB 4.4Å; M829-V860 HydrophobicContact SD-CG2 3.93Å; V860-Y870 HydrophobicContact CG1-CD1 3.49Å; V860-Y870 VanDerWaalsContact CG1-CD1 3.49Å; V860-Y870 HydrophobicContact CG1-CE1 4.2Å; V860-Y870 HydrophobicContact CG1-CG 3.72Å; V860-Y870 HydrophobicContact CG2-CD2 4.36Å; V860-Y870 HydrophobicContact CG2-CG 4.09Å; V860-L886 HydrophobicContact CG2-CD1 3.89Å |
| 861 | F | 90.8 | Very high | 91 | Very high | 60 Ų | 60 | 61 Ų | 61 | 26% | 0.263 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 121.9 | 179.1 | -60.6 | -98.3 | 0 | 0 | 0 | 110.4 | P826 T859 Y871 E873 | P826-F861 HydrophobicContact CB-CD1 3.91Å; P826-F861 HydrophobicContact CB-CE1 3.94Å; P826-F861 HydrophobicContact CG-CD1 3.62Å; P826-F861 HydrophobicContact CG-CE1 3.8Å; T859-F861 HydrophobicContact CG2-CE2 4.02Å; T859-F861 HydrophobicContact CG2-CZ 3.92Å; T859-F861 WeakPolarHBondContact O-CD2 3.08Å; T859-F861 VanDerWaalsContact O-CE2 3.23Å; T859-F861 WeakPolarHBondContact O-CE2 3.41Å; F861-Y871 HydrophobicContact CB-CD1 4.41Å; F861-Y871 HydrophobicContact CD2-CD1 4.19Å; F861-Y871 PolarHBondContact N-O 2.9Å; F861-E873 HydrophobicContact CE2-CB 3.59Å; F861-E873 HydrophobicContact CZ-CB 4.21Å; F861-E873 WeakPolarHBondContact CZ-OE2 3.48Å |
| 862 | G | 87 | Confident | 91.1 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 20% | 0.196 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 79.8 | -148.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | K824 H827 | K824-G862 WeakPolarHBondContact CD-O 3.31Å; H827-G862 PolarHBondContact NE2-O 2.96Å |
| 863 | G | 84.8 | Confident | 91.1 | Very high | 45 Ų | 45 | 60.5 Ų | 60.5 | 46% | 0.464 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | -178.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y870 | G863-Y870 WeakPolarHBondContact O-CD1 3.29Å |
| 864 | M | 89.7 | Confident | 91.1 | Very high | 101 Ų | 101 | 54 Ų | 54 | 50% | 0.498 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 146.1 | 157.7 | -160.1 | 176.3 | 74.3 | 0 | 0 | 107.2 | F869 Y870 S883 | M864-F869 CarbonylContact C-O 3.5Å; M864-F869 VanDerWaalsContact CA-O 3.31Å; M864-F869 WeakPolarHBondContact CA-O 3.45Å; M864-F869 WeakPolarHBondContact CG-O 3.28Å; M864-Y870 HydrophobicContact CB-CD1 4.01Å; M864-Y870 HydrophobicContact CB-CE1 3.5Å; M864-Y870 VanDerWaalsContact CB-CE1 3.5Å; M864-Y870 HydrophobicContact CG-CD1 4.26Å; M864-Y870 HydrophobicContact CG-CE1 3.95Å; M864-S883 PolarHBondContact SD-OG 3.14Å |
| 865 | D | 88.3 | Confident | 90.9 | Very high | 53 Ų | 53 | 58.5 Ų | 58.5 | 28% | 0.283 | 33% | 0.331 | S | S | . | . | trans | -80.6 | 173 | 168.9 | 52.9 | 50.6 | 0 | 0 | 0 | 111.9 | D867 G868 F869 | D865-D867 PolarHBondContact O-N 2.87Å; D865-D867 PolarHBondContact OD1-N 2.9Å; D865-G868 PolarHBondContact O-N 2.8Å; D865-G868 PolarHBondContact OD1-N 2.88Å; D865-G868 VanDerWaalsContact OD1-N 3.1Å; D865-F869 VanDerWaalsContact CG-O 3.32Å; D865-F869 PolarHBondContact N-O 3.34Å; D865-F869 WeakPolarHBondContact OD1-CA 3.34Å; D865-F869 PolarHBondContact OD1-N 3.47Å; D865-F869 WeakPolarHBondContact OD2-CB 3.44Å | ||
| 866 | D | 86.6 | Confident | 90.7 | Very high | 172 Ų | 172 | 58.9 Ų | 58.9 | 92% | 0.92 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -21.2 | -177.2 | -62.3 | -48.6 | 0 | 0 | 0 | 112.7 | ||
| 867 | D | 84.8 | Confident | 90.5 | Very high | 142 Ų | 142 | 62.2 Ų | 62.2 | 76% | 0.759 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.2 | -4.4 | 178.2 | -62.5 | -60.2 | 0 | 0 | 0 | 112.8 | D865 F869 | D865-D867 PolarHBondContact O-N 2.87Å; D865-D867 PolarHBondContact OD1-N 2.9Å; D867-F869 HydrophobicContact CB-CD2 4.18Å |
| 868 | G | 89.5 | Confident | 90.5 | Very high | 16 Ų | 16 | 64 Ų | 64 | 17% | 0.165 | 35% | 0.346 | C | S | . | . | S | Bend | trans | 90.2 | 16.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | D865 S883 | D865-G868 PolarHBondContact O-N 2.8Å; D865-G868 PolarHBondContact OD1-N 2.88Å; D865-G868 VanDerWaalsContact OD1-N 3.1Å; G868-S883 WeakPolarHBondContact O-CB 3.34Å; G868-S883 PolarHBondContact O-N 2.58Å; G868-S883 PolarHBondContact O-OG 3.2Å |
| 869 | F | 91.9 | Very high | 90.4 | Very high | 39 Ų | 39 | 64.2 Ų | 64.2 | 17% | 0.171 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 164.7 | 175.3 | -66.9 | -105.3 | 0 | 0 | 0 | 111.5 | M864 D865 D867 L880 V881 P882 | M864-F869 CarbonylContact C-O 3.5Å; M864-F869 VanDerWaalsContact CA-O 3.31Å; M864-F869 WeakPolarHBondContact CA-O 3.45Å; M864-F869 WeakPolarHBondContact CG-O 3.28Å; D865-F869 VanDerWaalsContact CG-O 3.32Å; D865-F869 PolarHBondContact N-O 3.34Å; D865-F869 WeakPolarHBondContact OD1-CA 3.34Å; D865-F869 PolarHBondContact OD1-N 3.47Å; D865-F869 WeakPolarHBondContact OD2-CB 3.44Å; D867-F869 HydrophobicContact CB-CD2 4.18Å; F869-L880 HydrophobicContact CB-CB 4.43Å; F869-L880 HydrophobicContact CD1-CB 4.05Å; F869-V881 CarbonylContact C-O 3.58Å; F869-V881 WeakPolarHBondContact CA-O 3.44Å; F869-P882 HydrophobicContact CD1-CB 3.97Å; F869-P882 HydrophobicContact CE1-CB 3.77Å; F869-P882 HydrophobicContact CE1-CG 4.31Å; F869-P882 HydrophobicContact CZ-CB 4.39Å |
| 870 | Y | 93.3 | Very high | 90.3 | Very high | 35 Ų | 35 | 64.8 Ų | 64.8 | 14% | 0.137 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 138.8 | 170.5 | -73.4 | -60.5 | 0 | 0 | 0 | 109 | H827 M829 V860 G863 M864 G872 L880 V881 S883 L886 | H827-Y870 AromaticContact CE1-CE1 3.92Å; M829-Y870 HydrophobicContact CE-CE2 4.03Å; M829-Y870 HydrophobicContact SD-CD2 4.32Å; M829-Y870 HydrophobicContact SD-CE2 3.89Å; V860-Y870 HydrophobicContact CG1-CD1 3.49Å; V860-Y870 VanDerWaalsContact CG1-CD1 3.49Å; V860-Y870 HydrophobicContact CG1-CE1 4.2Å; V860-Y870 HydrophobicContact CG1-CG 3.72Å; V860-Y870 HydrophobicContact CG2-CD2 4.36Å; V860-Y870 HydrophobicContact CG2-CG 4.09Å; G863-Y870 WeakPolarHBondContact O-CD1 3.29Å; M864-Y870 HydrophobicContact CB-CD1 4.01Å; M864-Y870 HydrophobicContact CB-CE1 3.5Å; M864-Y870 VanDerWaalsContact CB-CE1 3.5Å; M864-Y870 HydrophobicContact CG-CD1 4.26Å; M864-Y870 HydrophobicContact CG-CE1 3.95Å; Y870-G872 PolarHBondContact O-N 2.97Å; Y870-L880 CarbonylContact O-C 3.54Å; Y870-V881 PolarHBondContact N-O 3.48Å; Y870-V881 WeakPolarHBondContact O-CB 3.35Å; Y870-V881 PolarHBondContact O-N 2.83Å; Y870-S883 VanDerWaalsContact CE2-CB 3.41Å; Y870-L886 HydrophobicContact CD2-CD1 3.63Å; Y870-L886 HydrophobicContact CE2-CD1 4.17Å |
| 871 | Y | 93.3 | Very high | 90.3 | Very high | 95 Ų | 95 | 64.8 Ų | 64.8 | 37% | 0.373 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.1 | 110.1 | 165.2 | -167.2 | -83 | 0 | 0 | 0 | 109.1 | F861 R878 L880 | F861-Y871 HydrophobicContact CB-CD1 4.41Å; F861-Y871 HydrophobicContact CD2-CD1 4.19Å; F861-Y871 PolarHBondContact N-O 2.9Å; Y871-R878 HydrophobicContact CE1-CB 4.09Å; Y871-R878 VanDerWaalsContact CE1-NH1 3.31Å; Y871-R878 WeakPolarHBondContact OH-CB 3.41Å; Y871-R878 PolarHBondContact OH-NH1 2.79Å; Y871-L880 HydrophobicContact CD2-CD2 4.42Å |
| 872 | G | 93.6 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 162.8 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | T859 Y870 R878 G879 | T859-G872 CarbonylContact O-C 3.57Å; T859-G872 WeakPolarHBondContact O-CA 3.48Å; Y870-G872 PolarHBondContact O-N 2.97Å; G872-R878 VanDerWaalsContact O-CA 3.29Å; G872-R878 WeakPolarHBondContact O-CA 3.31Å; G872-G879 PolarHBondContact N-O 2.96Å; G872-G879 PolarHBondContact O-N 2.93Å |
| 873 | E | 94.3 | Very high | 90.6 | Very high | 61 Ų | 61 | 62.4 Ų | 62.4 | 29% | 0.285 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 131.5 | 172.5 | -177.5 | 172.4 | 157.2 | 0 | 0 | 111.3 | T859 F861 Q877 R878 | T859-E873 PolarHBondContact N-O 2.82Å; T859-E873 PolarHBondContact O-N 2.94Å; F861-E873 HydrophobicContact CE2-CB 3.59Å; F861-E873 HydrophobicContact CZ-CB 4.21Å; F861-E873 WeakPolarHBondContact CZ-OE2 3.48Å; E873-Q877 CarbonylContact C-O 3.59Å; E873-Q877 VanDerWaalsContact CA-O 3.25Å; E873-Q877 WeakPolarHBondContact CA-O 3.44Å; E873-Q877 WeakPolarHBondContact CG-O 3.32Å; E873-R878 HydrophobicContact CB-CG 4.2Å; E873-R878 HydrophobicContact CG-CG 3.91Å; E873-R878 IonicContact OE2-CZ 3.38Å; E873-R878 IonicContact OE2-NE 3.39Å; E873-R878 PolarHBondContact OE2-NE 2.95Å; E873-R878 IonicContact OE2-NH2 2.78Å; E873-R878 PolarHBondContact OE2-NH2 2.88Å |
| 874 | L | 92.3 | Very high | 90.9 | Very high | 13 Ų | 13 | 66.9 Ų | 66.9 | 7% | 0.068 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.9 | 129.7 | 177.2 | -179.9 | 61.7 | 0 | 0 | 0 | 108.5 | L850 F852 D856 I858 G876 Q877 | L850-L874 HydrophobicContact CD1-CB 4.45Å; L850-L874 HydrophobicContact CD2-CB 3.75Å; L850-L874 HydrophobicContact CG-CB 4.3Å; F852-L874 HydrophobicContact CB-CD2 3.49Å; F852-L874 VanDerWaalsContact CB-CD2 3.49Å; D856-L874 HydrophobicContact CB-CD1 4Å; D856-L874 HydrophobicContact CB-CD2 3.89Å; I858-L874 HydrophobicContact CG1-CB 4.28Å; I858-L874 HydrophobicContact CG1-CD1 4.28Å; I858-L874 HydrophobicContact CG1-CD2 4.24Å; I858-L874 HydrophobicContact CG1-CG 4.5Å; L874-G876 PolarHBondContact O-N 3.21Å; L874-Q877 PolarHBondContact N-O 3.29Å; L874-Q877 PolarHBondContact O-N 3.35Å |
| 875 | N | 88.6 | Confident | 91 | Very high | 150 Ų | 150 | 64.7 Ų | 64.7 | 80% | 0.802 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53 | 21.6 | 179.8 | -61 | -46 | 0 | 0 | 0 | 115.3 | Q877 | N875-Q877 VanDerWaalsContact C-N 3.35Š|
| 876 | G | 86.8 | Confident | 91.1 | Very high | 56 Ų | 56 | 63.1 Ų | 63.1 | 58% | 0.577 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.1 | 0.9 | -176 | 0 | 0 | 0 | 0 | 0 | 115.1 | L874 | L874-G876 PolarHBondContact O-N 3.21Š|
| 877 | Q | 89.3 | Confident | 91.3 | Very high | 121 Ų | 121 | 61.2 Ų | 61.2 | 57% | 0.565 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 140.8 | 164.1 | -67.6 | 178.5 | -27.2 | 0 | 0 | 108.9 | L850 E873 L874 N875 | L850-Q877 HydrophobicContact CD1-CB 3.71Å; L850-Q877 WeakPolarHBondContact CD1-O 3.49Å; E873-Q877 CarbonylContact C-O 3.59Å; E873-Q877 VanDerWaalsContact CA-O 3.25Å; E873-Q877 WeakPolarHBondContact CA-O 3.44Å; E873-Q877 WeakPolarHBondContact CG-O 3.32Å; L874-Q877 PolarHBondContact N-O 3.29Å; L874-Q877 PolarHBondContact O-N 3.35Å; N875-Q877 VanDerWaalsContact C-N 3.35Å |
| 878 | R | 92.7 | Very high | 91 | Very high | 120 Ų | 120 | 56.5 Ų | 56.5 | 45% | 0.453 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 136.9 | -176.6 | -43 | -177.6 | 92.2 | -129.6 | -1.1 | 109.2 | Y871 G872 E873 | Y871-R878 HydrophobicContact CE1-CB 4.09Å; Y871-R878 VanDerWaalsContact CE1-NH1 3.31Å; Y871-R878 WeakPolarHBondContact OH-CB 3.41Å; Y871-R878 PolarHBondContact OH-NH1 2.79Å; G872-R878 VanDerWaalsContact O-CA 3.29Å; G872-R878 WeakPolarHBondContact O-CA 3.31Å; E873-R878 HydrophobicContact CB-CG 4.2Å; E873-R878 HydrophobicContact CG-CG 3.91Å; E873-R878 IonicContact OE2-CZ 3.38Å; E873-R878 IonicContact OE2-NE 3.39Å; E873-R878 PolarHBondContact OE2-NE 2.95Å; E873-R878 IonicContact OE2-NH2 2.78Å; E873-R878 PolarHBondContact OE2-NH2 2.88Å |
| 879 | G | 92.3 | Very high | 89.9 | Confident | 4 Ų | 4 | 59.6 Ų | 59.6 | 4% | 0.041 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -174.8 | -178.4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A848 G872 | A848-G879 CarbonylContact O-C 3.58Å; A848-G879 WeakPolarHBondContact O-CA 3.47Å; G872-G879 PolarHBondContact N-O 2.96Å; G872-G879 PolarHBondContact O-N 2.93Å |
| 880 | L | 93.6 | Very high | 87.8 | Confident | 58 Ų | 58 | 60.2 Ų | 60.2 | 30% | 0.304 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 141.5 | 173.8 | -61.2 | 177.5 | 0 | 0 | 0 | 110.8 | A848 E849 L850 F869 Y870 Y871 | A848-L880 PolarHBondContact O-N 3.27Å; E849-L880 WeakPolarHBondContact CA-O 3.43Å; E849-L880 HydrophobicContact CG-CB 4.28Å; L850-L880 PolarHBondContact N-O 3.45Å; F869-L880 HydrophobicContact CB-CB 4.43Å; F869-L880 HydrophobicContact CD1-CB 4.05Å; Y870-L880 CarbonylContact O-C 3.54Å; Y871-L880 HydrophobicContact CD2-CD2 4.42Å |
| 881 | V | 93.4 | Very high | 85.4 | Confident | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 113.1 | -173.8 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | L850 F852 I858 F869 Y870 S883 L886 | L850-V881 HydrophobicContact CB-CG2 3.82Å; L850-V881 HydrophobicContact CD2-CG2 3.63Å; L850-V881 HydrophobicContact CG-CG2 4.36Å; F852-V881 HydrophobicContact CD1-CG1 4.41Å; F852-V881 HydrophobicContact CE1-CG1 3.7Å; F852-V881 HydrophobicContact CZ-CG1 4.12Å; I858-V881 HydrophobicContact CD1-CG1 4.15Å; I858-V881 HydrophobicContact CG2-CG2 4.14Å; F869-V881 CarbonylContact C-O 3.58Å; F869-V881 WeakPolarHBondContact CA-O 3.44Å; Y870-V881 PolarHBondContact N-O 3.48Å; Y870-V881 WeakPolarHBondContact O-CB 3.35Å; Y870-V881 PolarHBondContact O-N 2.83Å; V881-S883 PolarHBondContact O-N 3.29Å; V881-L886 HydrophobicContact CG1-CD1 3.65Å; V881-L886 HydrophobicContact CG1-CD2 3.67Å; V881-L886 HydrophobicContact CG1-CG 3.85Å |
| 882 | P | 92.1 | Very high | 83.1 | Confident | 8 Ų | 8 | 69.2 Ų | 69.2 | 5% | 0.052 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 124.1 | -177 | 25.2 | -34.2 | 0 | 0 | 0 | 111.4 | Y835 F869 N884 F885 | Y835-P882 HydrophobicContact CD1-CG 4.18Å; Y835-P882 HydrophobicContact CD2-CG 4.15Å; Y835-P882 HydrophobicContact CE1-CG 3.88Å; Y835-P882 HydrophobicContact CE2-CG 3.86Å; Y835-P882 HydrophobicContact CG-CG 4.3Å; F869-P882 HydrophobicContact CD1-CB 3.97Å; F869-P882 HydrophobicContact CE1-CB 3.77Å; F869-P882 HydrophobicContact CE1-CG 4.31Å; F869-P882 HydrophobicContact CZ-CB 4.39Å; P882-N884 PolarHBondContact O-N 3.39Å; P882-N884 VanDerWaalsContact O-N 3.16Å; P882-F885 HydrophobicContact CB-CD2 3.87Å; P882-F885 HydrophobicContact CB-CE2 4.36Å; P882-F885 HydrophobicContact CG-CB 4.39Å; P882-F885 HydrophobicContact CG-CD2 3.55Å; P882-F885 HydrophobicContact CG-CE2 4.08Å; P882-F885 HydrophobicContact CG-CG 4.11Å; P882-F885 PolarHBondContact O-N 3.4Å |
| 883 | S | 90.8 | Very high | 80.5 | Confident | 22 Ų | 22 | 74 Ų | 74 | 15% | 0.154 | 43% | 0.432 | C | S | . | . | G | 310 helix | trans | -56.9 | -35.1 | -174.5 | 59.8 | 0 | 0 | 0 | 0 | 113.8 | M864 G868 Y870 V881 F885 L886 | M864-S883 PolarHBondContact SD-OG 3.14Å; G868-S883 WeakPolarHBondContact O-CB 3.34Å; G868-S883 PolarHBondContact O-N 2.58Å; G868-S883 PolarHBondContact O-OG 3.2Å; Y870-S883 VanDerWaalsContact CE2-CB 3.41Å; V881-S883 PolarHBondContact O-N 3.29Å; S883-F885 PolarHBondContact O-N 3.29Å; S883-L886 PolarHBondContact O-N 3.47Å |
| 884 | N | 91.9 | Very high | 77.7 | Confident | 139 Ų | 139 | 75 Ų | 75 | 74% | 0.743 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -57.3 | -18.8 | 177.9 | -67 | -54.7 | 0 | 0 | 0 | 114.5 | P882 | P882-N884 PolarHBondContact O-N 3.39Å; P882-N884 VanDerWaalsContact O-N 3.16Å |
| 885 | F | 91 | Very high | 74.8 | Confident | 55 Ų | 55 | 78.2 Ų | 78.2 | 24% | 0.241 | 50% | 0.496 | C | S | . | . | G | 310 helix | trans | -97.7 | -2.9 | -179.8 | -70.8 | -109.2 | 0 | 0 | 0 | 112.9 | A831 A832 F833 Y835 F852 P882 S883 | A831-F885 CarbonylContact C-O 3.4Å; A831-F885 WeakPolarHBondContact CA-O 3.33Å; A832-F885 PolarHBondContact N-O 3.31Å; F833-F885 HydrophobicContact CB-CD1 3.94Å; F833-F885 HydrophobicContact CB-CE1 4.42Å; Y835-F885 AromaticContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD1 3.91Å; Y835-F885 HydrophobicContact CD2-CD2 4.42Å; Y835-F885 AromaticContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE1 3.6Å; Y835-F885 HydrophobicContact CD2-CE2 4.13Å; Y835-F885 HydrophobicContact CD2-CG 4.34Å; Y835-F885 AromaticContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CD2-CZ 3.72Å; Y835-F885 HydrophobicContact CE2-CE1 4.39Å; Y835-F885 HydrophobicContact CE2-CE2 4.22Å; Y835-F885 HydrophobicContact CE2-CZ 4.05Å; Y835-F885 HydrophobicContact CG-CD1 4.34Å; Y835-F885 HydrophobicContact CG-CE1 4.42Å; F852-F885 HydrophobicContact CE2-CB 3.84Å; F852-F885 HydrophobicContact CZ-CB 3.67Å; F852-F885 HydrophobicContact CZ-CG 4.31Å; P882-F885 HydrophobicContact CB-CD2 3.87Å; P882-F885 HydrophobicContact CB-CE2 4.36Å; P882-F885 HydrophobicContact CG-CB 4.39Å; P882-F885 HydrophobicContact CG-CD2 3.55Å; P882-F885 HydrophobicContact CG-CE2 4.08Å; P882-F885 HydrophobicContact CG-CG 4.11Å; P882-F885 PolarHBondContact O-N 3.4Å; S883-F885 PolarHBondContact O-N 3.29Å |
| 886 | L | 91.9 | Very high | 72.6 | Confident | 19 Ų | 19 | 79.9 Ų | 79.9 | 10% | 0.099 | 50% | 0.503 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 131.9 | -177.3 | -53.5 | -170.5 | 0 | 0 | 0 | 112.5 | M829 V830 F852 I858 V860 Y870 V881 S883 | M829-L886 HydrophobicContact CB-CB 4.19Å; M829-L886 HydrophobicContact CB-CD1 3.97Å; M829-L886 HydrophobicContact CE-CB 3.74Å; M829-L886 HydrophobicContact CE-CD1 4.26Å; M829-L886 HydrophobicContact SD-CB 4.43Å; M829-L886 HydrophobicContact SD-CD1 3.91Å; V830-L886 WeakPolarHBondContact O-CA 3.4Å; F852-L886 HydrophobicContact CZ-CD2 4.42Å; I858-L886 HydrophobicContact CD1-CD2 3.82Å; V860-L886 HydrophobicContact CG2-CD1 3.89Å; Y870-L886 HydrophobicContact CD2-CD1 3.63Å; Y870-L886 HydrophobicContact CE2-CD1 4.17Å; V881-L886 HydrophobicContact CG1-CD1 3.65Å; V881-L886 HydrophobicContact CG1-CD2 3.67Å; V881-L886 HydrophobicContact CG1-CG 3.85Å; S883-L886 PolarHBondContact O-N 3.47Å |
| 887 | E | 90.2 | Very high | 70.1 | Confident | 133 Ų | 133 | 85 Ų | 85 | 62% | 0.621 | 52% | 0.518 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 137.6 | 165 | -167.2 | 166.7 | -165.4 | 0 | 0 | 109.9 | V830 A832 | V830-E887 PolarHBondContact N-O 3.08Å; V830-E887 PolarHBondContact O-N 2.87Å; A832-E887 HydrophobicContact CB-CB 4.39Å |
| 888 | G | 79.3 | Confident | 67.8 | Low | 43 Ų | 43 | 89.2 Ų | 89.2 | 44% | 0.443 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 147.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | G890 | G888-G890 PolarHBondContact O-N 3.37Å; G888-G890 VanDerWaalsContact O-N 3.11Å |
| 889 | P | 65.4 | Low | 64.9 | Low | 80 Ų | 80 | 91 Ų | 91 | 52% | 0.519 | 54% | 0.542 | S | S | . | . | P | Polyproline II helix | trans | -63.9 | 117.1 | 178.4 | 29.5 | -36.2 | 0 | 0 | 0 | 109.9 | S828 | S828-P889 WeakPolarHBondContact O-CB 3.3Å; S828-P889 VanDerWaalsContact O-CD 3.27Å; S828-P889 WeakPolarHBondContact O-CD 3.43Å; S828-P889 WeakPolarHBondContact O-CG 3.39Å |
| 890 | G | 47 | Very low | 62.9 | Low | 52 Ų | 52 | 95.5 Ų | 95.5 | 54% | 0.536 | 57% | 0.57 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 142.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | G888 E892 | G888-G890 PolarHBondContact O-N 3.37Å; G888-G890 VanDerWaalsContact O-N 3.11Å; G890-E892 VanDerWaalsContact C-N 3.25Å; G890-E892 PolarHBondContact O-N 3.47Å |
| 891 | P | 44.3 | Very low | 59.8 | Low | 135 Ų | 135 | 104.7 Ų | 104.7 | 88% | 0.877 | 60% | 0.601 | S | S | * | * | trans | -74.8 | 70.4 | -173.2 | 30.7 | -36.4 | 0 | 0 | 0 | 113.2 | A893 | P891-A893 PolarHBondContact O-N 2.95Š| ||
| 892 | E | 43.9 | Very low | 56.9 | Low | 184 Ų | 184 | 110.6 Ų | 110.6 | 86% | 0.86 | 64% | 0.637 | S | S | * | * | trans | -85.4 | 80.5 | -177.7 | -82.1 | -66.7 | 133.9 | 0 | 0 | 113.2 | G890 | G890-E892 VanDerWaalsContact C-N 3.25Å; G890-E892 PolarHBondContact O-N 3.47Å | ||
| 893 | A | 39.9 | Very low | 54.1 | Low | 100 Ų | 100 | 116.4 Ų | 116.4 | 83% | 0.826 | 68% | 0.675 | S | S | * | * | trans | 178.8 | 116.7 | 144.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | P891 | P891-A893 PolarHBondContact O-N 2.95Š| ||
| 894 | G | 35 | Very low | 51.2 | Low | 83 Ų | 83 | 124.7 Ų | 124.7 | 86% | 0.856 | 71% | 0.711 | S | S | * | * | cis | 173.7 | 160.2 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 895 | G | 30.8 | Very low | 48.5 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 84% | 0.835 | 71% | 0.71 | S | S | * | * | trans | -178.7 | 124.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 896 | L | 42.7 | Very low | 45.6 | Very low | 184 Ų | 184 | 128.8 Ų | 128.8 | 96% | 0.963 | 74% | 0.741 | S | S | * | * | trans | -95.4 | 112.1 | -178.1 | -74.9 | 164.5 | 0 | 0 | 0 | 111.6 | ||||
| 897 | D | 34.8 | Very low | 42.8 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -156.6 | 173.8 | 137.5 | -146.1 | -15.9 | 0 | 0 | 0 | 111.5 | ||||
| 898 | R | 40.1 | Very low | 40.2 | Very low | 209 Ų | 209 | 135.3 Ų | 135.3 | 79% | 0.789 | 78% | 0.783 | S | S | * | * | trans | -100.4 | 132.3 | -160.6 | -103.8 | 176.3 | 150.5 | 173 | -4.3 | 116.3 | ||||
| 899 | E | 32.6 | Very low | 38 | Very low | 158 Ų | 158 | 143.9 Ų | 143.9 | 74% | 0.738 | 80% | 0.802 | S | S | * | * | trans | 53.6 | 165.3 | 136.9 | -85.7 | -165.3 | 69.2 | 0 | 0 | 121.3 | ||||
| 900 | P | 50.8 | Low | 36.5 | Very low | 98 Ų | 98 | 146.1 Ų | 146.1 | 64% | 0.636 | 81% | 0.814 | S | S | * | * | cis | -131.4 | 156 | -41.1 | 35.1 | -20.7 | 0 | 0 | 0 | 112.1 | ||||
| 901 | R | 27.7 | Very low | 36 | Very low | 250 Ų | 250 | 155 Ų | 155 | 94% | 0.943 | 83% | 0.831 | S | S | * | * | trans | -154.6 | 137.7 | 151.6 | -115.4 | 159.1 | -161.9 | -179 | 4.9 | 114.2 | ||||
| 902 | T | 31.7 | Very low | 35.6 | Very low | 124 Ų | 124 | 159.9 Ų | 159.9 | 76% | 0.761 | 83% | 0.832 | S | S | * | * | trans | -38.5 | 148.2 | -178.7 | 45.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 903 | P | 34.7 | Very low | 35.3 | Very low | 131 Ų | 131 | 162.9 Ų | 162.9 | 85% | 0.851 | 84% | 0.835 | S | S | * | * | trans | -69.9 | 144 | 171.4 | 32.1 | -35.3 | 0 | 0 | 0 | 111.4 | ||||
| 904 | Q | 29.7 | Very low | 35.1 | Very low | 195 Ų | 195 | 168.5 Ų | 168.5 | 91% | 0.911 | 84% | 0.835 | S | S | * | * | trans | -106.5 | 131.9 | 158.7 | -174.5 | 169.7 | -24.6 | 0 | 0 | 108.1 | ||||
| 905 | A | 34.4 | Very low | 35.3 | Very low | 87 Ų | 87 | 171.1 Ų | 171.1 | 72% | 0.719 | 84% | 0.835 | S | S | * | * | trans | -97.4 | 132.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 906 | E | 31.7 | Very low | 35.7 | Very low | 193 Ų | 193 | 175 Ų | 175 | 90% | 0.902 | 83% | 0.831 | S | S | * | * | trans | -108.8 | 105.2 | 148.3 | -78.9 | -163.2 | 89.2 | 0 | 0 | 108.7 | Q908 | E906-Q908 PolarHBondContact O-N 3.08Š| ||
| 907 | S | 31.3 | Very low | 35.6 | Very low | 101 Ų | 101 | 176 Ų | 176 | 71% | 0.706 | 85% | 0.851 | S | S | * | * | trans | -92.9 | 96.8 | 175.9 | -174.2 | 0 | 0 | 0 | 0 | 108.6 | R909 | S907-R909 VanDerWaalsContact C-N 3.27Å; S907-R909 PolarHBondContact O-N 3.39Å | ||
| 908 | Q | 36.6 | Very low | 35.6 | Very low | 188 Ų | 188 | 176.6 Ų | 176.6 | 88% | 0.879 | 85% | 0.849 | S | S | * | * | trans | -66.3 | 93.5 | 165 | -73.3 | -155.9 | 4.6 | 0 | 0 | 108.9 | E906 T910 | E906-Q908 PolarHBondContact O-N 3.08Å; Q908-T910 PolarHBondContact O-N 3.48Å | ||
| 909 | R | 32.9 | Very low | 35.4 | Very low | 224 Ų | 224 | 174.8 Ų | 174.8 | 85% | 0.845 | 85% | 0.852 | S | S | * | * | trans | -84.3 | 79.5 | -163.6 | -167.2 | -178.3 | -169.2 | -177.8 | 4.6 | 110.7 | S907 R911 | S907-R909 VanDerWaalsContact C-N 3.27Å; S907-R909 PolarHBondContact O-N 3.39Å; R909-R911 PolarHBondContact O-N 3.11Å | ||
| 910 | T | 34.9 | Very low | 35.5 | Very low | 126 Ų | 126 | 175.8 Ų | 175.8 | 77% | 0.773 | 86% | 0.859 | S | S | * | * | trans | -50.7 | 113.4 | 175.4 | 45.5 | 0 | 0 | 0 | 0 | 110.6 | Q908 R912 | Q908-T910 PolarHBondContact O-N 3.48Å; T910-R912 VanDerWaalsContact C-N 3.3Å; T910-R912 PolarHBondContact O-N 3.04Å | ||
| 911 | R | 35.1 | Very low | 34.6 | Very low | 240 Ų | 240 | 180.4 Ų | 180.4 | 91% | 0.906 | 87% | 0.872 | S | S | * | * | trans | -82.3 | 72.2 | -164.3 | -166.4 | -179 | -174.6 | -174 | 2.5 | 110.8 | R909 R913 | R909-R911 PolarHBondContact O-N 3.11Å; R911-R913 PolarHBondContact O-N 2.85Å | ||
| 912 | R | 36.3 | Very low | 35.1 | Very low | 237 Ų | 237 | 176 Ų | 176 | 89% | 0.894 | 87% | 0.867 | S | S | * | * | trans | -46.5 | 104.8 | 174.2 | -77.9 | -172.8 | 167.2 | -154.8 | -5.5 | 110.7 | T910 R914 | T910-R912 VanDerWaalsContact C-N 3.3Å; T910-R912 PolarHBondContact O-N 3.04Å; R912-R914 PolarHBondContact O-N 3.06Å; R912-R914 VanDerWaalsContact O-N 3.09Å | ||
| 913 | R | 38.4 | Very low | 35.3 | Very low | 246 Ų | 246 | 179.5 Ų | 179.5 | 93% | 0.928 | 87% | 0.874 | S | S | * | * | trans | -65.1 | 106.8 | 164.6 | -90.2 | -174.1 | 167.8 | -176.4 | -3.2 | 107.1 | R911 V915 | R911-R913 PolarHBondContact O-N 2.85Å; R913-V915 PolarHBondContact O-N 3.36Å | ||
| 914 | R | 34.7 | Very low | 35.3 | Very low | 219 Ų | 219 | 182.9 Ų | 182.9 | 83% | 0.826 | 88% | 0.876 | S | S | * | * | trans | -77.8 | 111.4 | 170.2 | 174.5 | -175.3 | -85.7 | -177.1 | -7.7 | 107.2 | R912 Q916 | R912-R914 PolarHBondContact O-N 3.06Å; R912-R914 VanDerWaalsContact O-N 3.09Å; R914-Q916 HydrophobicContact CG-CG 4.43Å; R914-Q916 PolarHBondContact O-N 3.36Å | ||
| 915 | V | 40 | Very low | 35.8 | Very low | 138 Ų | 138 | 182 Ų | 182 | 84% | 0.836 | 87% | 0.873 | S | S | * | * | trans | -59.9 | 128 | 162.6 | -179 | 0 | 0 | 0 | 0 | 107.6 | R913 | R913-V915 PolarHBondContact O-N 3.36Š| ||
| 916 | Q | 39.5 | Very low | 35.9 | Very low | 163 Ų | 163 | 189.9 Ų | 189.9 | 76% | 0.762 | 89% | 0.886 | S | S | * | * | trans | -108.6 | 155.2 | 159.8 | -69 | -167.1 | -98.3 | 0 | 0 | 107.9 | R914 | R914-Q916 HydrophobicContact CG-CG 4.43Å; R914-Q916 PolarHBondContact O-N 3.36Å | ||
| 917 | C | 39 | Very low | 36.2 | Very low | 204 Ų | 204 | 189.6 Ų | 189.6 | 100% | 1.378 | 89% | 0.885 | S | S | * | * | trans | -61.8 | 0 | -177.1 | -48.8 | 0 | 0 | 0 | 0 | 112.9 |
Retrieved 917 of 917 residues in 258.8 ms
(Link to these results)