| 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 | 34.7 | Very low | 35 | Very low | 254 Ų | 254 | 126.1 Ų | 126.1 | 100% | 1.251 | 79% | 0.785 | S | S | * | * | 0 | 123.9 | 0 | -50.9 | 171.3 | -168.7 | 0 | 0 | 105.7 | |||||
| 2 | G | 35.8 | Very low | 34.3 | Very low | 85 Ų | 85 | 123.1 Ų | 123.1 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | cis | 137.5 | 137.1 | 3.7 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 3 | G | 36.2 | Very low | 33.8 | Very low | 65 Ų | 65 | 121.2 Ų | 121.2 | 67% | 0.67 | 77% | 0.774 | S | S | * | * | cis | -131.1 | 175.7 | -7.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 4 | S | 37.2 | Very low | 33.2 | Very low | 107 Ų | 107 | 123 Ų | 123 | 75% | 0.748 | 78% | 0.775 | S | S | * | * | 61.6 | 137.7 | 92.2 | -66.5 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 5 | Q | 37.7 | Very low | 32.9 | Very low | 173 Ų | 173 | 124 Ų | 124 | 81% | 0.808 | 77% | 0.771 | S | S | * | * | cis | -176.9 | 172.2 | 5.2 | -111.4 | 172.4 | 71.4 | 0 | 0 | 106.1 | ||||
| 6 | S | 34.9 | Very low | 32.7 | Very low | 78 Ų | 78 | 124.5 Ų | 124.5 | 55% | 0.545 | 77% | 0.767 | S | S | . | * | cis | -171.5 | 136.3 | -5.4 | 179.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 7 | L | 31.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 124.2 Ų | 124.2 | 73% | 0.728 | 76% | 0.759 | S | S | * | * | trans | 54.4 | 128.2 | 143.8 | -60.5 | 176.5 | 0 | 0 | 0 | 121.3 | ||||
| 8 | Q | 28.8 | Very low | 32.4 | Very low | 166 Ų | 166 | 126.3 Ų | 126.3 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | 76.4 | 160.1 | 72 | -97.1 | -162.4 | -19.9 | 0 | 0 | 114.8 | |||||
| 9 | P | 40.9 | Very low | 32.4 | Very low | 118 Ų | 118 | 125.7 Ų | 125.7 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | cis | -129 | -169.1 | 15.5 | 42 | -24.4 | 0 | 0 | 0 | 116.7 | ||||
| 10 | A | 25.1 | Very low | 32.3 | Very low | 84 Ų | 84 | 125.5 Ų | 125.5 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | trans | -94 | -161.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 11 | P | 42.2 | Very low | 32.3 | Very low | 118 Ų | 118 | 128.8 Ų | 128.8 | 77% | 0.766 | 77% | 0.767 | S | S | * | * | cis | -146.1 | 169.8 | 12.1 | 45.4 | -25.6 | 0 | 0 | 0 | 120.1 | ||||
| 12 | A | 26.8 | Very low | 32.1 | Very low | 90 Ų | 90 | 121.1 Ų | 121.1 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 63.2 | 154.8 | 136 | 0 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 13 | S | 27.2 | Very low | 32.1 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 69% | 0.692 | 74% | 0.742 | S | S | * | * | trans | 78.8 | 98 | 151.8 | 29.1 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 14 | D | 25.6 | Very low | 31.8 | Very low | 146 Ų | 146 | 127.3 Ų | 127.3 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | 86.8 | 127.9 | 106.5 | -73.5 | -45.3 | 0 | 0 | 0 | 125.4 | |||||
| 15 | L | 29.3 | Very low | 31.6 | Very low | 138 Ų | 138 | 127.8 Ų | 127.8 | 72% | 0.723 | 75% | 0.751 | S | S | * | * | trans | 85.3 | 123.6 | 140.5 | -68.4 | 165.4 | 0 | 0 | 0 | 123.6 | ||||
| 16 | N | 28.6 | Very low | 31.2 | Very low | 132 Ų | 132 | 126.8 Ų | 126.8 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 74.4 | 153.2 | 139.4 | -68.9 | -11.9 | 0 | 0 | 0 | 120.1 | ||||
| 17 | L | 30.8 | Very low | 31.3 | Very low | 120 Ų | 120 | 128.4 Ų | 128.4 | 63% | 0.628 | 76% | 0.762 | S | S | * | * | cis | -148.7 | 160.5 | 8.6 | -158.3 | 66.6 | 0 | 0 | 0 | 112.7 | ||||
| 18 | E | 30.3 | Very low | 31.6 | Very low | 161 Ų | 161 | 130 Ų | 130 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | trans | 69.1 | 162.6 | 148.1 | -106.5 | 163.9 | -130.8 | 0 | 0 | 119.5 | ||||
| 19 | V | 32.4 | Very low | 31.9 | Very low | 115 Ų | 115 | 130 Ų | 130 | 70% | 0.697 | 77% | 0.766 | S | S | * | * | cis | -137.8 | 143.3 | -3.8 | -163.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 20 | S | 29.8 | Very low | 31.7 | Very low | 122 Ų | 122 | 127.1 Ų | 127.1 | 85% | 0.853 | 75% | 0.752 | S | S | * | * | trans | 166 | 152.5 | 138.7 | -73.9 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 21 | E | 31.8 | Very low | 32.1 | Very low | 194 Ų | 194 | 132.4 Ų | 132.4 | 91% | 0.907 | 76% | 0.76 | S | S | * | * | trans | -99.4 | 155.8 | -165.1 | -57.5 | 158.2 | 108.1 | 0 | 0 | 114.6 | ||||
| 22 | A | 31.8 | Very low | 31.8 | Very low | 93 Ų | 93 | 135.7 Ų | 135.7 | 77% | 0.769 | 77% | 0.765 | S | S | * | * | 166.8 | 128.8 | 125.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 23 | M | 34.3 | Very low | 32.4 | Very low | 169 Ų | 169 | 137.5 Ų | 137.5 | 83% | 0.833 | 77% | 0.767 | S | S | * | * | trans | 71.9 | 101.7 | 139.1 | -59.7 | -80.3 | -81.9 | 0 | 0 | 122.8 | ||||
| 24 | S | 31.1 | Very low | 33.4 | Very low | 112 Ų | 112 | 138.4 Ų | 138.4 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | 76.9 | 139 | 129.3 | 61.3 | 0 | 0 | 0 | 0 | 124.1 | |||||
| 25 | S | 31.8 | Very low | 33.7 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -66.8 | 177.7 | -179.4 | -30.9 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 26 | D | 29.5 | Very low | 34.1 | Very low | 153 Ų | 153 | 139.2 Ų | 139.2 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | -168.2 | 156.3 | 62.3 | -168.9 | 16.9 | 0 | 0 | 0 | 113.5 | |||||
| 27 | S | 36.6 | Very low | 34.8 | Very low | 111 Ų | 111 | 139.5 Ų | 139.5 | 78% | 0.776 | 79% | 0.785 | S | S | * | * | trans | 173.5 | 150.7 | 173.1 | -78.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 28 | E | 38.9 | Very low | 35.3 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | cis | -167.1 | -170.3 | -28.5 | -139.7 | -112.6 | 77.5 | 0 | 0 | 108 | ||||
| 29 | E | 34 | Very low | 35.7 | Very low | 165 Ų | 165 | 137.8 Ų | 137.8 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | trans | 67.4 | 147.4 | 174.1 | -70 | -152.3 | 106.4 | 0 | 0 | 119.2 | ||||
| 30 | A | 38.3 | Very low | 35.9 | Very low | 59 Ų | 59 | 139.1 Ų | 139.1 | 49% | 0.488 | 80% | 0.802 | S | S | . | * | cis | -167.8 | 166.7 | -21.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 31 | F | 32 | Very low | 36.4 | Very low | 195 Ų | 195 | 142.9 Ų | 142.9 | 86% | 0.855 | 80% | 0.803 | S | S | * | * | trans | 67.9 | 150.1 | 171.6 | -53.9 | -78 | 0 | 0 | 0 | 116.6 | ||||
| 32 | E | 37.9 | Very low | 36.6 | Very low | 186 Ų | 186 | 137.7 Ų | 137.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | cis | -138.1 | 161.4 | 16.8 | -158.3 | 171.8 | -160.4 | 0 | 0 | 113.2 | ||||
| 33 | T | 37.6 | Very low | 37.2 | Very low | 128 Ų | 128 | 139 Ų | 139 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | trans | -92.2 | 160.3 | -168.9 | 28.4 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 34 | P | 48.4 | Very low | 37.6 | Very low | 119 Ų | 119 | 137 Ų | 137 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | -159 | -171.8 | 64 | 43.9 | -20.7 | 0 | 0 | 0 | 120.4 | |||||
| 35 | E | 33.3 | Very low | 38 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | 86.2 | 81.7 | 167.4 | -72.4 | -161.9 | 89.2 | 0 | 0 | 121.3 | ||||
| 36 | S | 36.3 | Very low | 38.7 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | 45.4 | 110.2 | 121.3 | 176.3 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 37 | T | 44.6 | Very low | 39.7 | Very low | 137 Ų | 137 | 134.8 Ų | 134.8 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -147.5 | 153.1 | 140.9 | -168.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 38 | T | 40.7 | Very low | 40.1 | Very low | 113 Ų | 113 | 135.2 Ų | 135.2 | 69% | 0.693 | 79% | 0.79 | S | S | * | * | trans | -100.8 | 143.7 | -176.8 | 49.1 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 39 | P | 39.4 | Very low | 40.3 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -74.6 | 137.1 | -179.4 | 30.9 | -35 | 0 | 0 | 0 | 112.6 | ||||
| 40 | V | 36.5 | Very low | 40.9 | Very low | 143 Ų | 143 | 130.5 Ų | 130.5 | 87% | 0.867 | 79% | 0.788 | S | S | * | * | trans | -112.9 | 141 | 170.3 | 178.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 41 | K | 39.7 | Very low | 40.8 | Very low | 202 Ų | 202 | 133.5 Ų | 133.5 | 88% | 0.878 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 130.3 | -164.6 | -175.4 | 175.3 | -180 | 176.5 | 0 | 112 | ||
| 42 | A | 36.6 | Very low | 40.7 | Very low | 85 Ų | 85 | 133.6 Ų | 133.6 | 70% | 0.702 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -69 | 149.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 43 | P | 43.8 | Very low | 40.5 | Very low | 121 Ų | 121 | 131 Ų | 131 | 79% | 0.786 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 153.6 | 178.1 | 32.3 | -35.3 | 0 | 0 | 0 | 112.9 | ||
| 44 | P | 43.2 | Very low | 40.5 | Very low | 126 Ų | 126 | 131.4 Ų | 131.4 | 82% | 0.818 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 160 | 178.2 | 34.6 | -35.7 | 0 | 0 | 0 | 113.6 | ||
| 45 | A | 38.4 | Very low | 39.9 | Very low | 94 Ų | 94 | 131.6 Ų | 131.6 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 157.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||
| 46 | P | 48.2 | Very low | 39.6 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -76 | 157.5 | 179.5 | 31.2 | -36.2 | 0 | 0 | 0 | 114 | ||
| 47 | P | 48.7 | Very low | 39.8 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.3 | 160.5 | -178.6 | 34.5 | -36.3 | 0 | 0 | 0 | 114.4 | ||
| 48 | P | 45.8 | Very low | 39 | Very low | 120 Ų | 120 | 132.7 Ų | 132.7 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 162.5 | -178.8 | 34.2 | -37.1 | 0 | 0 | 0 | 114.5 | ||
| 49 | P | 44.1 | Very low | 38.4 | Very low | 120 Ų | 120 | 133.7 Ų | 133.7 | 78% | 0.779 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.7 | 160.6 | -179.6 | 32.3 | -36.6 | 0 | 0 | 0 | 114.5 | ||
| 50 | P | 44.8 | Very low | 37.8 | Very low | 119 Ų | 119 | 135.3 Ų | 135.3 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 161.9 | 177.3 | 34.3 | -36 | 0 | 0 | 0 | 113.6 | ||
| 51 | P | 37 | Very low | 37.4 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 79% | 0.792 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 157.5 | -174.6 | 34.7 | -36.8 | 0 | 0 | 0 | 114.9 | ||
| 52 | E | 29.6 | Very low | 37.2 | Very low | 198 Ų | 198 | 132.1 Ų | 132.1 | 93% | 0.925 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -87.3 | 154.8 | -180 | -168.4 | 167.6 | -154.6 | 0 | 0 | 112.4 | ||
| 53 | V | 34.1 | Very low | 37.4 | Very low | 131 Ų | 131 | 133.6 Ų | 133.6 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | trans | -134.8 | 128.5 | -172.8 | 179.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 54 | T | 37.2 | Very low | 36.7 | Very low | 136 Ų | 136 | 132.1 Ų | 132.1 | 83% | 0.834 | 79% | 0.791 | S | S | * | * | trans | -86.1 | 141.3 | 179.9 | 51.4 | 0 | 0 | 0 | 0 | 114 | ||||
| 55 | P | 35.4 | Very low | 36.6 | Very low | 123 Ų | 123 | 131.7 Ų | 131.7 | 80% | 0.799 | 79% | 0.789 | S | S | * | * | trans | -126.5 | 140.2 | 169.2 | 38.1 | -25.3 | 0 | 0 | 0 | 115.9 | ||||
| 56 | E | 26.5 | Very low | 36.2 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | -169.4 | 165.8 | 161 | -114.6 | -165 | -160.4 | 0 | 0 | 108.2 | ||||
| 57 | P | 40.7 | Very low | 35.5 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | cis | -132.7 | -150.6 | -16.4 | 33.3 | -9.8 | 0 | 0 | 0 | 112.5 | ||||
| 58 | E | 28.2 | Very low | 35.1 | Very low | 177 Ų | 177 | 139.3 Ų | 139.3 | 83% | 0.827 | 80% | 0.798 | S | S | * | * | trans | 74.8 | 130.6 | 170.5 | -53.4 | -170.6 | 152.7 | 0 | 0 | 117.5 | ||||
| 59 | V | 27.8 | Very low | 34.1 | Very low | 133 Ų | 133 | 136.7 Ų | 136.7 | 81% | 0.806 | 79% | 0.793 | S | S | * | * | cis | 100 | 120.2 | 19.3 | 177 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 60 | I | 27.8 | Very low | 33.3 | Very low | 167 Ų | 167 | 136.7 Ų | 136.7 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | 175.6 | 149 | 143.4 | -94 | 158.1 | 0 | 0 | 0 | 111.8 | ||||
| 61 | E | 27.2 | Very low | 32.4 | Very low | 173 Ų | 173 | 138.5 Ų | 138.5 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -103.7 | -162.3 | -179.5 | -124.4 | -165.1 | 135 | 0 | 0 | 110.9 | ||||
| 62 | P | 36.5 | Very low | 32.1 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | cis | -128.2 | -144.5 | -11.8 | 44.4 | -25.5 | 0 | 0 | 0 | 110.4 | ||||
| 63 | P | 40.2 | Very low | 32.1 | Very low | 116 Ų | 116 | 135.9 Ų | 135.9 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -127.6 | -177.4 | -23.3 | 40 | -22.6 | 0 | 0 | 0 | 115.2 | ||||
| 64 | A | 30 | Very low | 32.6 | Very low | 89 Ų | 89 | 135.7 Ų | 135.7 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -88.3 | 178.1 | 174.1 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 65 | P | 40.2 | Very low | 32.4 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 78% | 0.776 | S | S | * | * | -158.7 | 167.9 | 90.9 | 44.9 | -26 | 0 | 0 | 0 | 119.9 | |||||
| 66 | E | 29.4 | Very low | 32 | Very low | 196 Ų | 196 | 134.7 Ų | 134.7 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | 75.2 | 149.4 | 152 | -50.4 | -124.4 | 131.5 | 0 | 0 | 124.5 | ||||
| 67 | E | 34.4 | Very low | 32.4 | Very low | 175 Ų | 175 | 132 Ų | 132 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -87.9 | -171 | 177 | -87 | -90.6 | 148.6 | 0 | 0 | 111.7 | ||||
| 68 | P | 39.7 | Very low | 32.9 | Very low | 122 Ų | 122 | 132.6 Ų | 132.6 | 79% | 0.792 | 78% | 0.777 | S | S | * | * | cis | -141.5 | 178.7 | 9.5 | 43.6 | -24.9 | 0 | 0 | 0 | 118.8 | ||||
| 69 | G | 25.5 | Very low | 33.1 | Very low | 66 Ų | 66 | 132 Ų | 132 | 68% | 0.68 | 78% | 0.78 | S | S | * | * | trans | 147.4 | 84.7 | 139.6 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 70 | C | 27 | Very low | 33.1 | Very low | 120 Ų | 120 | 128.5 Ų | 128.5 | 81% | 0.811 | 77% | 0.771 | S | S | * | * | trans | 47.9 | 144.3 | 133.3 | -99 | 0 | 0 | 0 | 0 | 127.3 | ||||
| 71 | I | 25.3 | Very low | 34.2 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 80% | 0.8 | 77% | 0.773 | S | S | * | * | trans | 66.7 | 148.8 | 152.9 | 70.3 | 164.5 | 0 | 0 | 0 | 119.8 | ||||
| 72 | S | 31.4 | Very low | 34.4 | Very low | 110 Ų | 110 | 129.9 Ų | 129.9 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | cis | -142.9 | 165.4 | 15.5 | -61.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 73 | E | 29.4 | Very low | 34.2 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 73% | 0.729 | 78% | 0.776 | S | S | * | * | trans | -98.8 | 174.9 | 170.3 | -150.6 | -165.4 | -122.9 | 0 | 0 | 111.8 | V75 | E73-V75 HydrophobicContact CG-CG2 4.44Š| ||
| 74 | P | 44.8 | Very low | 33.6 | Very low | 127 Ų | 127 | 132.7 Ų | 132.7 | 83% | 0.825 | 78% | 0.781 | S | S | * | * | -152.6 | 168.6 | 88.2 | 40.1 | -20.9 | 0 | 0 | 0 | 118.1 | |||||
| 75 | V | 32.8 | Very low | 33.6 | Very low | 100 Ų | 100 | 134 Ų | 134 | 61% | 0.606 | 78% | 0.784 | S | S | * | * | trans | -108.4 | 153.9 | -177.8 | 167.6 | 0 | 0 | 0 | 0 | 114.2 | E73 | E73-V75 HydrophobicContact CG-CG2 4.44Š| ||
| 76 | V | 27.1 | Very low | 33.1 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -144.7 | 137.1 | 154.8 | -176.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 77 | V | 34.1 | Very low | 33.2 | Very low | 127 Ų | 127 | 133.1 Ų | 133.1 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | -147.8 | 139.2 | 169.7 | 179.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 78 | P | 52 | Low | 32.9 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 77% | 0.771 | S | S | * | * | trans | -149.4 | -178.4 | 135.1 | 38.7 | -23.1 | 0 | 0 | 0 | 113.2 | ||||
| 79 | D | 32.9 | Very low | 32.4 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | -159 | 176.7 | -50.4 | -163.2 | -3.6 | 0 | 0 | 0 | 107.8 | |||||
| 80 | G | 27.5 | Very low | 33.5 | Very low | 59 Ų | 59 | 129.8 Ų | 129.8 | 61% | 0.608 | 77% | 0.774 | S | S | * | * | trans | -73.3 | -173.1 | -169.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 81 | P | 51.4 | Low | 33.6 | Very low | 138 Ų | 138 | 134.2 Ų | 134.2 | 90% | 0.896 | 78% | 0.78 | S | S | * | * | -140.8 | -146.9 | 59.7 | 40.5 | -20.5 | 0 | 0 | 0 | 116 | |||||
| 82 | R | 30.2 | Very low | 34.2 | Very low | 231 Ų | 231 | 137 Ų | 137 | 87% | 0.872 | 78% | 0.781 | S | S | * | * | trans | -129.2 | 157.9 | -156.4 | -54.4 | 176.5 | 173.2 | -153.6 | -1.5 | 115.9 | ||||
| 83 | S | 32.6 | Very low | 34.4 | Very low | 100 Ų | 100 | 137.3 Ų | 137.3 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | 145.6 | 132.4 | 115.9 | -76.4 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 84 | E | 27.4 | Very low | 34.6 | Very low | 180 Ų | 180 | 132.9 Ų | 132.9 | 84% | 0.841 | 77% | 0.766 | S | S | * | * | trans | 59.8 | 130.3 | 143.4 | -63.5 | -176.7 | 127.6 | 0 | 0 | 126 | ||||
| 85 | S | 29.9 | Very low | 33.9 | Very low | 115 Ų | 115 | 135.2 Ų | 135.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | trans | 74.3 | 145.4 | 144.3 | -89.5 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 86 | V | 30.1 | Very low | 33.9 | Very low | 116 Ų | 116 | 136.2 Ų | 136.2 | 70% | 0.703 | 78% | 0.777 | S | S | * | * | cis | -155.8 | 162.7 | -5 | 74.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 87 | E | 31.3 | Very low | 34.3 | Very low | 181 Ų | 181 | 135.7 Ų | 135.7 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | 50.3 | 131.7 | 156.9 | -135.7 | 68.9 | -121.6 | 0 | 0 | 121.8 | ||||
| 88 | G | 27.8 | Very low | 34.3 | Very low | 67 Ų | 67 | 135 Ų | 135 | 69% | 0.691 | 78% | 0.78 | S | S | * | * | trans | 156 | 87.5 | 156 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 89 | S | 29.6 | Very low | 33.5 | Very low | 124 Ų | 124 | 134.5 Ų | 134.5 | 87% | 0.867 | 79% | 0.785 | S | S | * | * | trans | 70 | 148.7 | 153.9 | -138.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 90 | P | 48.7 | Very low | 33.7 | Very low | 101 Ų | 101 | 132.8 Ų | 132.8 | 66% | 0.656 | 78% | 0.781 | S | S | * | * | trans | -99.4 | 151.3 | -178.8 | 37.8 | -33.2 | 0 | 0 | 0 | 113.8 | ||||
| 91 | F | 29.9 | Very low | 34.1 | Very low | 214 Ų | 214 | 139.6 Ų | 139.6 | 94% | 0.939 | 79% | 0.794 | S | S | * | * | trans | 179.6 | 139.7 | 137.7 | -95.3 | -59.7 | 0 | 0 | 0 | 111 | ||||
| 92 | R | 36.7 | Very low | 34.1 | Very low | 215 Ų | 215 | 137.6 Ų | 137.6 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | trans | -155.9 | 119.2 | 161.7 | -163.7 | -163.5 | -144.8 | -104.6 | 7.6 | 111 | S94 | R92-S94 PolarHBondContact NH1-OG 3.25Š| ||
| 93 | P | 36.8 | Very low | 35.2 | Very low | 116 Ų | 116 | 135.7 Ų | 135.7 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | -90.2 | 155.8 | 162.7 | -9.4 | 28.1 | 0 | 0 | 0 | 111.9 | ||||
| 94 | S | 33.5 | Very low | 36.2 | Very low | 62 Ų | 62 | 138 Ų | 138 | 43% | 0.434 | 78% | 0.781 | S | S | . | * | trans | -156.9 | 170.5 | 162.6 | -68 | 0 | 0 | 0 | 0 | 106.6 | R92 | R92-S94 PolarHBondContact NH1-OG 3.25Š| ||
| 95 | H | 30.6 | Very low | 37.6 | Very low | 177 Ų | 177 | 136.6 Ų | 136.6 | 82% | 0.819 | 77% | 0.772 | S | S | * | * | trans | 73.2 | 114.3 | -177.5 | -36 | -63.6 | 0 | 0 | 0 | 112.2 | ||||
| 96 | S | 32.8 | Very low | 38.7 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 84% | 0.839 | 78% | 0.775 | S | S | * | * | 75.9 | 100.6 | 71.5 | -60.9 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 97 | S | 33.8 | Very low | 39.4 | Very low | 128 Ų | 128 | 140 Ų | 140 | 90% | 0.895 | 78% | 0.783 | S | S | * | * | trans | -102 | 97.5 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 98 | S | 34.3 | Very low | 39.8 | Very low | 111 Ų | 111 | 136 Ų | 136 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -89.8 | 122.3 | 163 | 53.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 99 | A | 35.4 | Very low | 40.4 | Very low | 104 Ų | 104 | 138.3 Ų | 138.3 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -94.8 | 113.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 100 | V | 36.7 | Very low | 41 | Very low | 129 Ų | 129 | 138.7 Ų | 138.7 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | trans | -90.9 | 139.5 | 168.7 | 177.5 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 101 | F | 37.2 | Very low | 40.6 | Very low | 203 Ų | 203 | 136.1 Ų | 136.1 | 89% | 0.89 | 78% | 0.781 | S | S | * | * | trans | -79.2 | 136.3 | 170.8 | -107.1 | -100.7 | 0 | 0 | 0 | 110.1 | ||||
| 102 | D | 51.7 | Low | 40.9 | Very low | 96 Ų | 96 | 132.1 Ų | 132.1 | 51% | 0.513 | 77% | 0.774 | S | S | . | * | trans | -124 | 88.3 | -167.6 | -177.3 | 35.7 | 0 | 0 | 0 | 108.7 | D104 K105 | D102-D104 PolarHBondContact O-N 3.16Å; D102-K105 IonicContact OD2-NZ 2.73Å; D102-K105 PolarHBondContact OD2-NZ 2.87Å | ||
| 103 | E | 52.8 | Low | 40.9 | Very low | 191 Ų | 191 | 132.1 Ų | 132.1 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | trans | -79.1 | 45.8 | -171.5 | -69.5 | -159.8 | 113 | 0 | 0 | 114 | ||||
| 104 | D | 53.1 | Low | 41.2 | Very low | 148 Ų | 148 | 133.4 Ų | 133.4 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -146.9 | 46.3 | 175.9 | -127.1 | -25.5 | 0 | 0 | 0 | 113.6 | D102 | D102-D104 PolarHBondContact O-N 3.16Š| ||
| 105 | K | 56.5 | Low | 41.5 | Very low | 151 Ų | 151 | 138.3 Ų | 138.3 | 66% | 0.657 | 80% | 0.797 | S | S | * | * | trans | -135.5 | 119.4 | 174.4 | -92 | 143.9 | -170.9 | 155.1 | 0 | 112.4 | D102 I107 | D102-K105 IonicContact OD2-NZ 2.73Å; D102-K105 PolarHBondContact OD2-NZ 2.87Å; K105-I107 PolarHBondContact O-N 3.27Å | ||
| 106 | P | 53.9 | Low | 42.1 | Very low | 132 Ų | 132 | 136.7 Ų | 136.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | trans | -69.9 | 125.1 | 172.8 | 28.5 | -33 | 0 | 0 | 0 | 110.5 | A108 | P106-A108 PolarHBondContact O-N 2.84Š| ||
| 107 | I | 44.6 | Very low | 42.2 | Very low | 170 Ų | 170 | 140.7 Ų | 140.7 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -80.2 | 105.8 | -179.4 | -56.7 | 176.1 | 0 | 0 | 0 | 109.2 | K105 S109 | K105-I107 PolarHBondContact O-N 3.27Å; I107-S109 PolarHBondContact O-N 3.49Å | ||
| 108 | A | 38.8 | Very low | 42.5 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 79% | 0.793 | S | S | * | * | trans | -72.8 | 123.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | P106 | P106-A108 PolarHBondContact O-N 2.84Š| ||
| 109 | S | 42 | Very low | 42.7 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -82.4 | 116.9 | 174.4 | 55.2 | 0 | 0 | 0 | 0 | 111.5 | I107 G111 | I107-S109 PolarHBondContact O-N 3.49Å; S109-G111 PolarHBondContact O-N 2.88Å; S109-G111 VanDerWaalsContact O-N 3.09Å | ||
| 110 | S | 41 | Very low | 42.8 | Very low | 131 Ų | 131 | 145.5 Ų | 145.5 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | -78.3 | 90.9 | 178 | 60.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 111 | G | 39.6 | Very low | 43 | Very low | 47 Ų | 47 | 147.6 Ų | 147.6 | 49% | 0.485 | 80% | 0.797 | S | S | . | * | trans | -127.5 | 110.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | S109 | S109-G111 PolarHBondContact O-N 2.88Å; S109-G111 VanDerWaalsContact O-N 3.09Å | ||
| 112 | T | 37.4 | Very low | 43.1 | Very low | 130 Ų | 130 | 146 Ų | 146 | 80% | 0.798 | 80% | 0.797 | S | S | * | * | trans | -99.7 | 115.6 | -172.8 | 28.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 113 | Y | 35.8 | Very low | 42.3 | Very low | 215 Ų | 215 | 147.6 Ų | 147.6 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | trans | -136.9 | 122.3 | 162.5 | -19.6 | -81.4 | 0 | 0 | 0 | 107.4 | ||||
| 114 | N | 43.8 | Very low | 41.3 | Very low | 143 Ų | 143 | 144.8 Ų | 144.8 | 77% | 0.765 | 80% | 0.801 | S | S | * | * | trans | -96.9 | 121.4 | -179.4 | -58.9 | -47.1 | 0 | 0 | 0 | 110.3 | ||||
| 115 | L | 40.6 | Very low | 40.1 | Very low | 166 Ų | 166 | 144.7 Ų | 144.7 | 87% | 0.869 | 80% | 0.801 | S | S | * | * | trans | -145.2 | 102 | 162.1 | -80.4 | 178 | 0 | 0 | 0 | 108.4 | ||||
| 116 | D | 42.1 | Very low | 39 | Very low | 143 Ų | 143 | 145.9 Ų | 145.9 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | trans | -78.2 | 124.1 | 177.4 | -52.4 | -65.5 | 0 | 0 | 0 | 110.8 | ||||
| 117 | F | 35.9 | Very low | 37.8 | Very low | 204 Ų | 204 | 148 Ų | 148 | 90% | 0.895 | 81% | 0.805 | S | S | * | * | trans | -151.2 | 85.5 | 159 | -85.7 | -66.3 | 0 | 0 | 0 | 110.4 | ||||
| 118 | D | 38.5 | Very low | 37 | Very low | 154 Ų | 154 | 144.5 Ų | 144.5 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | -66 | 161.7 | 167.1 | -82.2 | -48.3 | 0 | 0 | 0 | 112.2 | ||||
| 119 | S | 38.7 | Very low | 36.5 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | 78.3 | 79.3 | 163.6 | -47.4 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 120 | I | 38.3 | Very low | 35.9 | Very low | 177 Ų | 177 | 151 Ų | 151 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | trans | -132.5 | 121.6 | 130.2 | -56.4 | -177.2 | 0 | 0 | 0 | 107.9 | ||||
| 121 | E | 40.1 | Very low | 36.2 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 79% | 0.786 | S | S | * | * | trans | -86.4 | 153.9 | 178.5 | -69.2 | -176.1 | 122.5 | 0 | 0 | 112.9 | ||||
| 122 | L | 40 | Very low | 35.5 | Very low | 171 Ų | 171 | 152.6 Ų | 152.6 | 90% | 0.895 | 80% | 0.801 | S | S | * | * | trans | -82.4 | 116.7 | 166 | 173.5 | 71.4 | 0 | 0 | 0 | 109.8 | ||||
| 123 | V | 34.1 | Very low | 34.9 | Very low | 129 Ų | 129 | 151.3 Ų | 151.3 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -138.8 | 132.5 | 167 | -177.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 124 | D | 31.5 | Very low | 34.6 | Very low | 132 Ų | 132 | 145.3 Ų | 145.3 | 71% | 0.706 | 79% | 0.792 | S | S | * | * | trans | -132.5 | 110.9 | 174.6 | 174.7 | 22 | 0 | 0 | 0 | 109.5 | ||||
| 125 | N | 29.1 | Very low | 33.8 | Very low | 145 Ų | 145 | 144.4 Ų | 144.4 | 78% | 0.775 | 79% | 0.787 | S | S | * | * | trans | -172.6 | 174 | 149.5 | -116.2 | -77.2 | 0 | 0 | 0 | 115.4 | ||||
| 126 | F | 32.5 | Very low | 33.3 | Very low | 177 Ų | 177 | 145.1 Ų | 145.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -89.8 | 168 | -163.8 | -76.1 | -105.2 | 0 | 0 | 0 | 117.5 | ||||
| 127 | Q | 29.8 | Very low | 32.7 | Very low | 177 Ų | 177 | 147.5 Ų | 147.5 | 83% | 0.827 | 78% | 0.783 | S | S | * | * | trans | 108.4 | 128.9 | 142.3 | -87.1 | 171.7 | 44.5 | 0 | 0 | 121.5 | ||||
| 128 | S | 27.2 | Very low | 32.3 | Very low | 96 Ų | 96 | 141.3 Ų | 141.3 | 67% | 0.671 | 78% | 0.777 | S | S | * | * | trans | 87.5 | 113.2 | 143 | -68.6 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 129 | L | 29.3 | Very low | 31.7 | Very low | 169 Ų | 169 | 142.3 Ų | 142.3 | 89% | 0.885 | 78% | 0.777 | S | S | * | * | trans | 84 | 133.2 | 136.8 | -60.9 | 169.3 | 0 | 0 | 0 | 121.7 | ||||
| 130 | E | 28.9 | Very low | 31.2 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 78% | 0.775 | S | S | * | * | trans | -78.8 | 179.2 | 163 | -117.9 | -164.8 | 141.5 | 0 | 0 | 111.5 | ||||
| 131 | P | 47.8 | Very low | 30.7 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 60% | 0.604 | 77% | 0.766 | S | S | * | * | cis | -136.5 | -170.4 | -11.6 | 38.9 | -20.5 | 0 | 0 | 0 | 114.6 | ||||
| 132 | C | 23.6 | Very low | 30.3 | Very low | 119 Ų | 119 | 142 Ų | 142 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | 71.2 | 156 | 155.4 | -72.9 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 133 | S | 25.3 | Very low | 29.8 | Very low | 102 Ų | 102 | 139.8 Ų | 139.8 | 71% | 0.713 | 76% | 0.76 | S | S | * | * | cis | -172.6 | 152.8 | -14.4 | 50.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 134 | A | 29 | Very low | 29.6 | Very low | 89 Ų | 89 | 138.6 Ų | 138.6 | 74% | 0.736 | 76% | 0.757 | S | S | * | * | trans | 69.9 | 166.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 135 | D | 27.5 | Very low | 29.5 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 67% | 0.668 | 76% | 0.756 | S | S | * | * | cis | -156.9 | 167.3 | 2.2 | -144.2 | -19.4 | 0 | 0 | 0 | 115.1 | ||||
| 136 | Y | 30.5 | Very low | 29.6 | Very low | 181 Ų | 181 | 139.7 Ų | 139.7 | 71% | 0.71 | 75% | 0.753 | S | S | * | * | trans | 60.9 | 122.9 | 148.3 | -81.5 | -45.9 | 0 | 0 | 0 | 127.1 | ||||
| 137 | K | 28.1 | Very low | 30 | Very low | 193 Ų | 193 | 141 Ų | 141 | 84% | 0.839 | 75% | 0.753 | S | S | * | * | trans | 66.1 | 146.7 | 141.4 | -58.2 | -167.2 | -175.6 | -174.9 | 0 | 120.4 | ||||
| 138 | G | 28.8 | Very low | 30.4 | Very low | 74 Ų | 74 | 141.4 Ų | 141.4 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | cis | 159.1 | -169.8 | -7.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 139 | Q | 26.1 | Very low | 31 | Very low | 174 Ų | 174 | 141 Ų | 141 | 81% | 0.813 | 75% | 0.749 | S | S | * | * | trans | 90.4 | 94.9 | 161.6 | -159.2 | 157.2 | 24.6 | 0 | 0 | 122 | ||||
| 140 | E | 27.4 | Very low | 31.4 | Very low | 159 Ų | 159 | 138.3 Ų | 138.3 | 74% | 0.743 | 74% | 0.74 | S | S | * | * | 51.1 | 107.3 | 129.5 | -59.8 | -173.6 | 108.4 | 0 | 0 | 124.6 | |||||
| 141 | C | 29.2 | Very low | 31.3 | Very low | 106 Ų | 106 | 137.7 Ų | 137.7 | 72% | 0.716 | 74% | 0.737 | S | S | * | * | 64 | 124.7 | 106.8 | -165.2 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 142 | K | 31.6 | Very low | 30.5 | Very low | 192 Ų | 192 | 138.3 Ų | 138.3 | 84% | 0.835 | 74% | 0.743 | S | S | * | * | -177.1 | 133.5 | 116.8 | -97.8 | 152.8 | -172.6 | 165.5 | 0 | 116.7 | |||||
| 143 | V | 29 | Very low | 31 | Very low | 124 Ų | 124 | 139 Ų | 139 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | trans | 59.3 | 111.8 | 138.7 | 179.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 144 | S | 28.9 | Very low | 32.4 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | 66.6 | 144.7 | 85.6 | -121.1 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 145 | T | 29.4 | Very low | 33.2 | Very low | 111 Ų | 111 | 140.3 Ų | 140.3 | 68% | 0.681 | 74% | 0.742 | S | S | * | * | cis | -165.1 | 138.5 | 30.9 | 2.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 146 | R | 30.9 | Very low | 33.4 | Very low | 190 Ų | 190 | 138.8 Ų | 138.8 | 72% | 0.717 | 74% | 0.741 | S | S | * | * | 93.3 | 129.2 | 73.2 | -171.4 | -141.6 | -170.9 | 173.1 | 6.9 | 116.1 | |||||
| 147 | R | 41.1 | Very low | 33.6 | Very low | 204 Ų | 204 | 138.9 Ų | 138.9 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 91.6 | 157.2 | 167.7 | -59.8 | 179.5 | 169.7 | 155.4 | -7.9 | 117.9 | ||||
| 148 | K | 39.8 | Very low | 33.7 | Very low | 186 Ų | 186 | 134.6 Ų | 134.6 | 81% | 0.809 | 74% | 0.736 | S | S | * | * | cis | -177.6 | 151.7 | -41 | -143.5 | -166.1 | 179.9 | -159.2 | 0 | 110.8 | ||||
| 149 | S | 38.3 | Very low | 33.7 | Very low | 88 Ų | 88 | 137 Ų | 137 | 62% | 0.615 | 74% | 0.735 | S | S | * | * | trans | 71 | 154.9 | 156.3 | -67 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 150 | T | 38.5 | Very low | 33.7 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 68% | 0.681 | 73% | 0.733 | S | S | * | * | cis | -178.3 | 159.5 | -0.7 | 25.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 151 | E | 27.1 | Very low | 33.9 | Very low | 167 Ų | 167 | 133 Ų | 133 | 78% | 0.78 | 73% | 0.732 | S | S | * | * | cis | -176.7 | -177.9 | -18.8 | -146 | 130 | -73.9 | 0 | 0 | 109.9 | ||||
| 152 | S | 31 | Very low | 34.1 | Very low | 106 Ų | 106 | 138.8 Ų | 138.8 | 74% | 0.741 | 74% | 0.739 | S | S | * | * | trans | 71.2 | 132.6 | 170.9 | 66.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 153 | V | 33.3 | Very low | 34.1 | Very low | 134 Ų | 134 | 134.2 Ų | 134.2 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | cis | 79.1 | 134.9 | 22.3 | -173.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 154 | P | 54.2 | Low | 34.3 | Very low | 112 Ų | 112 | 135.8 Ų | 135.8 | 73% | 0.727 | 73% | 0.734 | S | S | * | * | cis | -126.5 | -140.5 | -15.7 | 40.8 | -19.5 | 0 | 0 | 0 | 110.8 | ||||
| 155 | P | 45.7 | Very low | 34.5 | Very low | 106 Ų | 106 | 135.2 Ų | 135.2 | 69% | 0.688 | 73% | 0.73 | S | S | * | * | cis | -138.9 | 152.5 | -18 | 39.1 | -19.2 | 0 | 0 | 0 | 119.2 | ||||
| 156 | S | 31.9 | Very low | 34.6 | Very low | 93 Ų | 93 | 137.7 Ų | 137.7 | 65% | 0.65 | 74% | 0.738 | S | S | * | * | 59.4 | 131.3 | 126.8 | -67.4 | 0 | 0 | 0 | 0 | 126.1 | |||||
| 157 | K | 34.8 | Very low | 34.6 | Very low | 184 Ų | 184 | 137.7 Ų | 137.7 | 80% | 0.8 | 75% | 0.747 | S | S | * | * | 71.9 | 159.2 | 128.5 | -66.2 | 175.2 | -172.9 | -179.7 | 0 | 119.3 | |||||
| 158 | T | 29.8 | Very low | 34 | Very low | 103 Ų | 103 | 132 Ų | 132 | 63% | 0.632 | 74% | 0.743 | S | S | * | * | cis | -169.2 | 170.8 | -19.1 | 34 | 0 | 0 | 0 | 0 | 109 | ||||
| 159 | T | 29.3 | Very low | 33.7 | Very low | 124 Ų | 124 | 128.1 Ų | 128.1 | 76% | 0.761 | 74% | 0.74 | S | S | * | * | trans | 65.3 | 169.1 | 147 | 43.1 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 160 | L | 27.3 | Very low | 33.4 | Very low | 146 Ų | 146 | 130.3 Ų | 130.3 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | cis | -176 | 162.9 | -35.8 | -174.9 | 138 | 0 | 0 | 0 | 107.1 | ||||
| 161 | S | 31.4 | Very low | 33.2 | Very low | 102 Ų | 102 | 134.2 Ų | 134.2 | 71% | 0.713 | 75% | 0.752 | S | S | * | * | trans | 66.1 | 137.9 | 179.2 | 28 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 162 | R | 32.8 | Very low | 33.5 | Very low | 228 Ų | 228 | 133.5 Ų | 133.5 | 86% | 0.86 | 75% | 0.754 | S | S | * | * | cis | 95.2 | 124 | 32.6 | -168 | -156.7 | -165.7 | -171.9 | 6.2 | 111.9 | ||||
| 163 | S | 32.2 | Very low | 33.6 | Very low | 96 Ų | 96 | 131 Ų | 131 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | 67.2 | 155.3 | 171 | 16.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 164 | L | 32 | Very low | 33.6 | Very low | 157 Ų | 157 | 129 Ų | 129 | 82% | 0.822 | 74% | 0.743 | S | S | * | * | cis | -165.9 | 176.3 | -20.8 | -117.5 | 173.9 | 0 | 0 | 0 | 108.5 | ||||
| 165 | S | 32.8 | Very low | 32.4 | Very low | 92 Ų | 92 | 129.4 Ų | 129.4 | 64% | 0.643 | 75% | 0.748 | S | S | * | * | trans | 69.2 | 106.9 | 156.3 | -59.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 166 | L | 31.8 | Very low | 31.9 | Very low | 162 Ų | 162 | 130.1 Ų | 130.1 | 85% | 0.848 | 75% | 0.754 | S | S | * | * | 35.3 | 107.5 | 113.6 | -57.3 | 172.9 | 0 | 0 | 0 | 119.2 | |||||
| 167 | Q | 31.5 | Very low | 32.6 | Very low | 190 Ų | 190 | 132 Ų | 132 | 89% | 0.888 | 76% | 0.764 | S | S | * | * | 177.5 | 125.6 | 115.6 | -93.1 | 168.5 | -8.3 | 0 | 0 | 107.3 | |||||
| 168 | A | 29.3 | Very low | 32.2 | Very low | 84 Ų | 84 | 126.9 Ų | 126.9 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | cis | 89.9 | 126.4 | 48.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 169 | S | 31.7 | Very low | 32.1 | Very low | 106 Ų | 106 | 127.3 Ų | 127.3 | 74% | 0.741 | 77% | 0.771 | S | S | * | * | trans | 63.9 | 155.2 | 171.3 | 65.6 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 170 | D | 32 | Very low | 33.1 | Very low | 134 Ų | 134 | 126.7 Ų | 126.7 | 72% | 0.717 | 77% | 0.769 | S | S | * | * | cis | -173.7 | 164 | -34.1 | -91.3 | -42.2 | 0 | 0 | 0 | 107.2 | ||||
| 171 | F | 35 | Very low | 33.6 | Very low | 192 Ų | 192 | 128.7 Ų | 128.7 | 84% | 0.842 | 77% | 0.774 | S | S | * | * | trans | 61.6 | 159.1 | 173.8 | -66.5 | -83.4 | 0 | 0 | 0 | 115.7 | ||||
| 172 | D | 34.6 | Very low | 33.6 | Very low | 152 Ų | 152 | 128.8 Ų | 128.8 | 81% | 0.813 | 78% | 0.781 | S | S | * | * | cis | -139.8 | 177.5 | -18.9 | -139.6 | -8.2 | 0 | 0 | 0 | 105 | ||||
| 173 | G | 33 | Very low | 33.6 | Very low | 54 Ų | 54 | 121.3 Ų | 121.3 | 56% | 0.557 | 78% | 0.776 | S | S | * | * | cis | 159.8 | 133.6 | 10.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 174 | A | 32.6 | Very low | 33.5 | Very low | 93 Ų | 93 | 123.2 Ų | 123.2 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | 47.7 | 111.8 | 156.8 | 0 | 0 | 0 | 0 | 0 | 122 | ||||
| 175 | S | 29.3 | Very low | 33.4 | Very low | 120 Ų | 120 | 123.4 Ų | 123.4 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | 86.6 | 132.2 | 121.9 | -59.5 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 176 | C | 35.3 | Very low | 33.3 | Very low | 120 Ų | 120 | 123 Ų | 123 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -69.4 | 162.1 | 161.5 | -43.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 177 | P | 47.1 | Very low | 33.3 | Very low | 133 Ų | 133 | 121.3 Ų | 121.3 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | -142.4 | 179.8 | 93 | 36.7 | -20.5 | 0 | 0 | 0 | 112.7 | |||||
| 178 | G | 26.4 | Very low | 33.1 | Very low | 77 Ų | 77 | 119.1 Ų | 119.1 | 79% | 0.794 | 78% | 0.778 | S | S | * | * | cis | -177.5 | -179.1 | 0.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 179 | S | 27.9 | Very low | 33.2 | Very low | 112 Ų | 112 | 119 Ų | 119 | 78% | 0.783 | 78% | 0.777 | S | S | * | * | trans | -98.5 | 166.6 | 179.2 | -169.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 180 | P | 50.1 | Low | 33.4 | Very low | 111 Ų | 111 | 120.5 Ų | 120.5 | 72% | 0.721 | 79% | 0.786 | S | S | * | * | -149.9 | 140.9 | 101.9 | 36.9 | -19 | 0 | 0 | 0 | 118.9 | |||||
| 181 | E | 37.1 | Very low | 33.1 | Very low | 187 Ų | 187 | 117.4 Ų | 117.4 | 87% | 0.874 | 79% | 0.786 | S | S | * | * | 52.9 | 127.4 | 129.9 | -56.8 | -167.1 | 114.4 | 0 | 0 | 125.7 | |||||
| 182 | A | 32.1 | Very low | 32.9 | Very low | 104 Ų | 104 | 114.9 Ų | 114.9 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | trans | -159.9 | 146.6 | 130.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 183 | G | 31.7 | Very low | 32.7 | Very low | 72 Ų | 72 | 111.1 Ų | 111.1 | 74% | 0.742 | 78% | 0.783 | S | S | * | * | trans | -92.4 | -175 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 184 | T | 30.1 | Very low | 32.6 | Very low | 135 Ų | 135 | 113 Ų | 113 | 83% | 0.828 | 79% | 0.788 | S | S | * | * | cis | -158 | 172.7 | 23.6 | 47.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 185 | L | 30.7 | Very low | 32.5 | Very low | 161 Ų | 161 | 115.2 Ų | 115.2 | 84% | 0.843 | 79% | 0.787 | S | S | * | * | trans | 62.3 | 99.5 | 170.6 | -61.6 | 165.4 | 0 | 0 | 0 | 115.1 | ||||
| 186 | A | 29.9 | Very low | 32.5 | Very low | 84 Ų | 84 | 114.7 Ų | 114.7 | 69% | 0.694 | 78% | 0.783 | S | S | * | * | cis | 62.3 | 134.5 | 28.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 187 | T | 32.6 | Very low | 32.3 | Very low | 126 Ų | 126 | 112.2 Ų | 112.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | cis | -139.2 | -158.3 | 7.6 | -11.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 188 | D | 26.8 | Very low | 31.4 | Very low | 144 Ų | 144 | 111.5 Ų | 111.5 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | cis | -157.1 | 167.9 | 12.1 | -136.7 | -53.6 | 0 | 0 | 0 | 112.1 | ||||
| 189 | A | 32.2 | Very low | 31.5 | Very low | 83 Ų | 83 | 112.2 Ų | 112.2 | 69% | 0.686 | 76% | 0.762 | S | S | * | * | trans | -160 | 155.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 190 | C | 34.7 | Very low | 31.8 | Very low | 137 Ų | 137 | 112.6 Ų | 112.6 | 93% | 0.926 | 76% | 0.76 | S | S | * | * | trans | 22.8 | 140.3 | 153.6 | -59.2 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 191 | G | 26.8 | Very low | 30.8 | Very low | 69 Ų | 69 | 113.5 Ų | 113.5 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | -158.5 | 164.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 192 | T | 30.1 | Very low | 30.8 | Very low | 139 Ų | 139 | 112 Ų | 112 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | cis | -160.6 | 134.8 | 0.4 | -72.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 193 | G | 30.3 | Very low | 30.8 | Very low | 73 Ų | 73 | 117.4 Ų | 117.4 | 75% | 0.753 | 75% | 0.747 | S | S | * | * | trans | 38.9 | -173.2 | 132.5 | 0 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 194 | S | 31.8 | Very low | 30.8 | Very low | 93 Ų | 93 | 120.4 Ų | 120.4 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | cis | -166.9 | 157.7 | -11.1 | -150.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 195 | N | 29.5 | Very low | 30.7 | Very low | 139 Ų | 139 | 122.6 Ų | 122.6 | 74% | 0.743 | 75% | 0.749 | S | S | * | * | trans | 33.1 | 170.9 | 145.5 | 66.8 | 19.5 | 0 | 0 | 0 | 124.4 | ||||
| 196 | S | 30.4 | Very low | 30.5 | Very low | 109 Ų | 109 | 123.6 Ų | 123.6 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | cis | -168.8 | 141 | -44.6 | -82.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 197 | A | 30.1 | Very low | 30.4 | Very low | 68 Ų | 68 | 125.7 Ų | 125.7 | 56% | 0.562 | 75% | 0.751 | S | S | * | * | trans | 68.5 | 165.3 | 143.7 | 0 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 198 | S | 29.1 | Very low | 30.4 | Very low | 118 Ų | 118 | 130.8 Ų | 130.8 | 83% | 0.825 | 76% | 0.756 | S | S | * | * | trans | 94.7 | 141.9 | 167.4 | -51.1 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 199 | S | 28.1 | Very low | 31 | Very low | 92 Ų | 92 | 129.3 Ų | 129.3 | 64% | 0.643 | 75% | 0.754 | S | S | * | * | cis | -174.4 | 130.2 | -11 | 177 | 0 | 0 | 0 | 0 | 114 | ||||
| 200 | T | 33.2 | Very low | 31.2 | Very low | 121 Ų | 121 | 130.3 Ų | 130.3 | 74% | 0.742 | 75% | 0.754 | S | S | * | * | trans | 65.6 | 157.9 | 146.8 | 66.6 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 201 | L | 30.2 | Very low | 30.7 | Very low | 130 Ų | 130 | 128.3 Ų | 128.3 | 68% | 0.681 | 74% | 0.741 | S | S | * | * | cis | -170.5 | 165.3 | -7.9 | -114.9 | 173.8 | 0 | 0 | 0 | 116.2 | ||||
| 202 | K | 36.7 | Very low | 30.8 | Very low | 155 Ų | 155 | 131.9 Ų | 131.9 | 67% | 0.674 | 74% | 0.743 | S | S | * | * | trans | 75.8 | 121 | 154.5 | -62.8 | -50 | 170.4 | -155.9 | 0 | 123.8 | ||||
| 203 | R | 33 | Very low | 30.6 | Very low | 218 Ų | 218 | 133.9 Ų | 133.9 | 82% | 0.823 | 74% | 0.74 | S | S | * | * | trans | 73.2 | 154.1 | 132.3 | -64.3 | 175.6 | 109.5 | 137.6 | 4.7 | 119.3 | ||||
| 204 | T | 31.2 | Very low | 30.6 | Very low | 135 Ų | 135 | 138.2 Ų | 138.2 | 83% | 0.828 | 74% | 0.738 | S | S | * | * | cis | -146.8 | -171.5 | 4.9 | -13.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 205 | K | 26.7 | Very low | 30.5 | Very low | 180 Ų | 180 | 141.5 Ų | 141.5 | 78% | 0.783 | 74% | 0.741 | S | S | * | * | trans | -140.7 | 144.7 | -161.7 | 168.6 | 179.2 | -179.8 | 174.2 | 0 | 113.7 | ||||
| 206 | K | 28.3 | Very low | 30.3 | Very low | 183 Ų | 183 | 142 Ų | 142 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 66.4 | 164.8 | 172.4 | -78 | -176.4 | 169.8 | -173 | 0 | 115.3 | ||||
| 207 | T | 26.8 | Very low | 30.1 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 78% | 0.779 | 74% | 0.736 | S | S | * | * | cis | -153.4 | 160.3 | 19 | -26.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 208 | R | 32.8 | Very low | 29.8 | Very low | 234 Ų | 234 | 143.3 Ų | 143.3 | 88% | 0.883 | 74% | 0.744 | S | S | * | * | trans | -104.9 | 134.5 | 165.1 | 170.4 | -176.1 | -170.2 | -153.5 | 7.7 | 109.1 | ||||
| 209 | P | 39.1 | Very low | 29.8 | Very low | 113 Ų | 113 | 147.1 Ų | 147.1 | 73% | 0.734 | 75% | 0.746 | S | S | * | * | -156.4 | -154.1 | 112.9 | 38.6 | -13.9 | 0 | 0 | 0 | 113.9 | |||||
| 210 | P | 35.6 | Very low | 29.5 | Very low | 104 Ų | 104 | 151.9 Ų | 151.9 | 68% | 0.675 | 76% | 0.755 | S | S | * | * | -139.7 | 164 | -79.1 | 44.6 | -28.1 | 0 | 0 | 0 | 118.4 | |||||
| 211 | S | 25.2 | Very low | 29.4 | Very low | 94 Ų | 94 | 151.3 Ų | 151.3 | 66% | 0.657 | 75% | 0.753 | S | S | * | * | trans | 64.1 | 140.7 | 132.2 | 72.9 | 0 | 0 | 0 | 0 | 126.4 | ||||
| 212 | L | 28.1 | Very low | 29.2 | Very low | 145 Ų | 145 | 150.4 Ų | 150.4 | 76% | 0.759 | 75% | 0.753 | S | S | * | * | trans | 91.4 | 134.2 | 132.8 | -82.3 | 162.1 | 0 | 0 | 0 | 124 | ||||
| 213 | K | 27.5 | Very low | 28.6 | Very low | 181 Ų | 181 | 151.3 Ų | 151.3 | 79% | 0.787 | 76% | 0.76 | S | S | * | * | trans | 76.2 | 157.3 | 150.5 | -71.5 | 169.7 | -177.1 | 173.5 | 0 | 119.8 | ||||
| 214 | K | 30 | Very low | 28.1 | Very low | 163 Ų | 163 | 146.8 Ų | 146.8 | 71% | 0.709 | 76% | 0.756 | S | S | * | * | cis | 179.4 | 142.8 | -27.5 | 169.9 | 163.7 | -179 | 169.6 | 0 | 110.7 | ||||
| 215 | K | 29.4 | Very low | 28.5 | Very low | 163 Ų | 163 | 145.4 Ų | 145.4 | 71% | 0.709 | 75% | 0.75 | S | S | * | * | trans | 66.2 | 165.3 | 165 | -82 | -172.8 | 170.4 | -132.7 | 0 | 116.8 | ||||
| 216 | Q | 25.2 | Very low | 29.1 | Very low | 148 Ų | 148 | 141.8 Ų | 141.8 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | -176.5 | 169 | -27.1 | -177.4 | 169.5 | 21.3 | 0 | 0 | 109.3 | ||||
| 217 | A | 25.5 | Very low | 28.9 | Very low | 86 Ų | 86 | 138.6 Ų | 138.6 | 71% | 0.711 | 74% | 0.741 | S | S | * | * | trans | 85.6 | 152.4 | 154 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 218 | T | 24.5 | Very low | 28.9 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 73% | 0.73 | 74% | 0.739 | S | S | * | * | cis | -169.4 | 152.3 | -29.1 | -69 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 219 | K | 28.1 | Very low | 28.6 | Very low | 199 Ų | 199 | 136.3 Ų | 136.3 | 87% | 0.865 | 73% | 0.728 | S | S | * | * | trans | 135.1 | 120 | 141 | -72.8 | -175.5 | -179.5 | -178.3 | 0 | 116.9 | ||||
| 220 | K | 21.9 | Very low | 27.9 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 83% | 0.83 | 72% | 0.719 | S | S | * | * | trans | -68.2 | 169.3 | 148.2 | -115.8 | -177 | -178.7 | -178.7 | 0 | 109.7 | ||||
| 221 | P | 32.7 | Very low | 27.3 | Very low | 110 Ų | 110 | 137.8 Ų | 137.8 | 71% | 0.714 | 72% | 0.723 | S | S | * | * | cis | -144.4 | 167.7 | 49.2 | 46.4 | -26 | 0 | 0 | 0 | 114.7 | ||||
| 222 | T | 24.9 | Very low | 27.2 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 68% | 0.681 | 73% | 0.728 | S | S | * | * | 66.6 | 137.7 | 101.8 | -54.2 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 223 | E | 23.5 | Very low | 26.8 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 81% | 0.808 | 73% | 0.729 | S | S | * | * | cis | -151.7 | 171.7 | 34.7 | -147.1 | 155.4 | 137.5 | 0 | 0 | 114.7 | ||||
| 224 | T | 22.9 | Very low | 27.2 | Very low | 123 Ų | 123 | 139 Ų | 139 | 76% | 0.755 | 73% | 0.726 | S | S | * | * | trans | -103.7 | -151 | 162 | 53.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 225 | P | 40.3 | Very low | 26.9 | Very low | 107 Ų | 107 | 134.1 Ų | 134.1 | 70% | 0.695 | 72% | 0.722 | S | S | * | * | cis | -120.8 | -129.2 | -20.3 | 32.2 | -6.7 | 0 | 0 | 0 | 108.9 | ||||
| 226 | P | 39.5 | Very low | 26.6 | Very low | 103 Ų | 103 | 135.5 Ų | 135.5 | 67% | 0.669 | 73% | 0.731 | S | S | * | * | cis | -139.3 | 151.6 | -21.3 | 30.1 | -7 | 0 | 0 | 0 | 119.4 | ||||
| 227 | V | 23.4 | Very low | 26.5 | Very low | 117 Ų | 117 | 137 Ų | 137 | 71% | 0.709 | 74% | 0.738 | S | S | * | * | 51.6 | 122.5 | 128.8 | -175.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 228 | K | 26.1 | Very low | 26.2 | Very low | 171 Ų | 171 | 137.7 Ų | 137.7 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | -178.9 | 122.8 | 109.5 | -124.5 | 123 | -170.3 | -169.2 | 0 | 110.7 | |||||
| 229 | E | 26.6 | Very low | 26.6 | Very low | 142 Ų | 142 | 137.6 Ų | 137.6 | 66% | 0.664 | 74% | 0.739 | S | S | * | * | 74.3 | 149.6 | 80.2 | -72.8 | -156.6 | 81.8 | 0 | 0 | 115.7 | |||||
| 230 | T | 24.5 | Very low | 26.3 | Very low | 88 Ų | 88 | 134.8 Ų | 134.8 | 54% | 0.54 | 74% | 0.739 | S | S | . | * | cis | -173.8 | 164.5 | -6.7 | -93.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 231 | Q | 23.1 | Very low | 26.9 | Very low | 160 Ų | 160 | 131.2 Ų | 131.2 | 75% | 0.748 | 74% | 0.735 | S | S | * | * | trans | 74.8 | 151.9 | 159.9 | -88.6 | 160.3 | 10.5 | 0 | 0 | 120.3 | ||||
| 232 | Q | 23 | Very low | 26.4 | Very low | 166 Ų | 166 | 130.4 Ų | 130.4 | 78% | 0.776 | 73% | 0.732 | S | S | * | * | cis | -157.3 | 172.2 | -9.6 | -148.4 | 155.2 | 1.1 | 0 | 0 | 114.2 | ||||
| 233 | E | 19.4 | Very low | 26.4 | Very low | 166 Ų | 166 | 132.7 Ų | 132.7 | 78% | 0.776 | 74% | 0.735 | S | S | * | * | trans | -56.3 | -176.9 | 167.8 | -93 | -99 | 110.3 | 0 | 0 | 116.9 | ||||
| 234 | P | 36.3 | Very low | 26.4 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | cis | -139.6 | -176.6 | 7.7 | 42.5 | -24.1 | 0 | 0 | 0 | 118.4 | ||||
| 235 | G | 24.2 | Very low | 26.4 | Very low | 60 Ų | 60 | 133.7 Ų | 133.7 | 62% | 0.619 | 73% | 0.731 | S | S | * | * | trans | 126.8 | 118 | 131.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 236 | E | 23.3 | Very low | 25.6 | Very low | 192 Ų | 192 | 136.1 Ų | 136.1 | 90% | 0.897 | 74% | 0.737 | S | S | * | * | trans | 27.5 | 152.9 | 132.3 | -73.1 | 169 | 156.8 | 0 | 0 | 123 | ||||
| 237 | E | 22.9 | Very low | 24.8 | Very low | 179 Ų | 179 | 135 Ų | 135 | 84% | 0.836 | 74% | 0.736 | S | S | * | * | cis | -156.2 | -166 | -6 | -144.5 | -159.4 | 131.4 | 0 | 0 | 111.3 | ||||
| 238 | S | 20.4 | Very low | 25.9 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | -82.7 | 178.7 | 171 | -120.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 239 | P | 31.6 | Very low | 25.8 | Very low | 116 Ų | 116 | 134.3 Ų | 134.3 | 75% | 0.753 | 74% | 0.737 | S | S | * | * | cis | -139.9 | -166.8 | 28 | 42.2 | -21 | 0 | 0 | 0 | 115.5 | ||||
| 240 | V | 22.3 | Very low | 25.8 | Very low | 141 Ų | 141 | 132.5 Ų | 132.5 | 86% | 0.855 | 74% | 0.736 | S | S | * | * | trans | -144.6 | 130.1 | 176.5 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 241 | P | 33.9 | Very low | 25.7 | Very low | 116 Ų | 116 | 137.5 Ų | 137.5 | 75% | 0.753 | 75% | 0.751 | S | S | * | * | trans | -126.4 | 149.4 | 176.4 | 39.2 | -26.3 | 0 | 0 | 0 | 117.7 | ||||
| 242 | S | 23 | Very low | 25.8 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 75% | 0.749 | S | S | * | * | trans | 8.1 | 132.4 | 150.4 | -68.9 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 243 | E | 24.3 | Very low | 25.8 | Very low | 160 Ų | 160 | 135.4 Ų | 135.4 | 75% | 0.748 | 75% | 0.749 | S | S | * | * | 68 | 175.8 | 129.3 | -75.8 | 61.1 | -81.4 | 0 | 0 | 120 | |||||
| 244 | E | 23.4 | Very low | 26 | Very low | 163 Ų | 163 | 132.8 Ų | 132.8 | 76% | 0.762 | 75% | 0.749 | S | S | * | * | cis | -152.6 | 159.5 | 11.9 | -147.2 | -166.9 | -88.1 | 0 | 0 | 115.1 | ||||
| 245 | H | 22.8 | Very low | 25.4 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 71% | 0.713 | 75% | 0.751 | S | S | * | * | trans | 36.1 | 149.7 | 149.8 | -96.6 | -62.2 | 0 | 0 | 0 | 128.2 | ||||
| 246 | L | 23.8 | Very low | 25.3 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 83% | 0.827 | 76% | 0.76 | S | S | * | * | trans | 96.4 | 142.1 | 139.2 | -82.2 | 162.6 | 0 | 0 | 0 | 123.5 | ||||
| 247 | A | 21.7 | Very low | 25.7 | Very low | 79 Ų | 79 | 131.1 Ų | 131.1 | 65% | 0.653 | 75% | 0.749 | S | S | * | * | trans | -140.1 | -158 | 166.9 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 248 | P | 46.8 | Very low | 25.7 | Very low | 111 Ų | 111 | 131.7 Ų | 131.7 | 72% | 0.721 | 75% | 0.752 | S | S | * | * | cis | -133.2 | -156.3 | -15.6 | 24.2 | 3.5 | 0 | 0 | 0 | 112.1 | ||||
| 249 | E | 25.1 | Very low | 25.9 | Very low | 162 Ų | 162 | 130 Ų | 130 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | 72.1 | 162.9 | 150.1 | -68.2 | -129.5 | 161.4 | 0 | 0 | 121 | ||||
| 250 | T | 25.8 | Very low | 25.6 | Very low | 104 Ų | 104 | 132.2 Ų | 132.2 | 64% | 0.638 | 76% | 0.762 | S | S | * | * | cis | -161.3 | 165.8 | -28.3 | 28.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 251 | K | 23.9 | Very low | 25.6 | Very low | 194 Ų | 194 | 128.9 Ų | 128.9 | 84% | 0.843 | 76% | 0.757 | S | S | * | * | trans | -171.2 | 130 | 141.9 | -101.8 | 170.8 | 178.8 | -175.2 | 0 | 110.2 | ||||
| 252 | T | 24.7 | Very low | 25.2 | Very low | 115 Ų | 115 | 129.7 Ų | 129.7 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | 81.3 | 132 | 68.6 | -51.4 | 0 | 0 | 0 | 0 | 111 | |||||
| 253 | E | 22.7 | Very low | 25.1 | Very low | 166 Ų | 166 | 130.8 Ų | 130.8 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | cis | -161.8 | 153.3 | 29.1 | -149.9 | 168.6 | 127.6 | 0 | 0 | 115.5 | ||||
| 254 | S | 23.4 | Very low | 25 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 77% | 0.766 | S | S | * | * | trans | 65.2 | 162.2 | 153.6 | 83.2 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 255 | A | 23.1 | Very low | 25 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | cis | -150.3 | 162.9 | -2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 256 | T | 23.5 | Very low | 25.5 | Very low | 130 Ų | 130 | 129.4 Ų | 129.4 | 80% | 0.798 | 77% | 0.774 | S | S | * | * | trans | -106.2 | 162.9 | 172.3 | -14.4 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 257 | P | 30.5 | Very low | 25.5 | Very low | 105 Ų | 105 | 128 Ų | 128 | 68% | 0.682 | 76% | 0.763 | S | S | * | * | -135.3 | 147.3 | 104.3 | 38.6 | -28.1 | 0 | 0 | 0 | 113 | |||||
| 258 | E | 23.5 | Very low | 25.6 | Very low | 192 Ų | 192 | 130.7 Ų | 130.7 | 90% | 0.897 | 77% | 0.772 | S | S | * | * | 49.4 | 131.9 | 101.4 | -45.8 | -173.6 | 132.2 | 0 | 0 | 115.8 | |||||
| 259 | G | 23.7 | Very low | 24.6 | Very low | 66 Ų | 66 | 130 Ų | 130 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | cis | 163.1 | 174.7 | -2.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 260 | T | 25.4 | Very low | 24.6 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 100% | 1 | 77% | 0.769 | S | S | * | * | trans | 76 | 138.6 | 178.1 | -28.2 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 261 | G | 23.7 | Very low | 24.4 | Very low | 71 Ų | 71 | 131.8 Ų | 131.8 | 73% | 0.732 | 77% | 0.774 | S | S | * | * | trans | 124.9 | 48 | 168.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 262 | C | 24.1 | Very low | 24.4 | Very low | 132 Ų | 132 | 127.8 Ų | 127.8 | 89% | 0.892 | 77% | 0.771 | S | S | * | * | trans | -98.7 | 84.3 | 172 | -170.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 263 | T | 22 | Very low | 24.4 | Very low | 115 Ų | 115 | 126.3 Ų | 126.3 | 71% | 0.706 | 77% | 0.771 | S | S | * | * | trans | -153.1 | 116.2 | 173.9 | 44.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 264 | L | 21.5 | Very low | 24.5 | Very low | 144 Ų | 144 | 123.2 Ų | 123.2 | 75% | 0.754 | 77% | 0.773 | S | S | * | * | trans | 64.5 | 156.2 | 133.8 | -65.3 | 164.8 | 0 | 0 | 0 | 121.4 | ||||
| 265 | S | 23.9 | Very low | 24.6 | Very low | 91 Ų | 91 | 124.5 Ų | 124.5 | 64% | 0.636 | 78% | 0.776 | S | S | * | * | trans | 64.7 | 93.3 | 156.2 | -55.1 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 266 | E | 32.2 | Very low | 25.4 | Very low | 214 Ų | 214 | 125.3 Ų | 125.3 | 100% | 1 | 77% | 0.773 | S | S | * | * | S | Bend | -114.8 | 73.8 | 104.9 | -162 | 161.6 | -151.8 | 0 | 0 | 107.4 | |||
| 267 | E | 24.3 | Very low | 25.3 | Very low | 127 Ų | 127 | 125.2 Ų | 125.2 | 59% | 0.593 | 77% | 0.773 | S | S | * | * | trans | -122.8 | 122.5 | -167.2 | -179.7 | -168.3 | 153.1 | 0 | 0 | 110.1 | ||||
| 268 | T | 24.5 | Very low | 25 | Very low | 136 Ų | 136 | 124.3 Ų | 124.3 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 162.8 | 145.1 | 145.8 | 30.6 | 0 | 0 | 0 | 0 | 106 | ||||
| 269 | S | 24.9 | Very low | 25 | Very low | 96 Ų | 96 | 121.6 Ų | 121.6 | 67% | 0.671 | 77% | 0.771 | S | S | * | * | cis | 173 | 127.2 | 3.1 | 170.7 | 0 | 0 | 0 | 0 | 102.6 | ||||
| 270 | L | 25.6 | Very low | 24.9 | Very low | 145 Ų | 145 | 123.9 Ų | 123.9 | 76% | 0.759 | 78% | 0.775 | S | S | * | * | cis | -155.4 | 173.1 | 24.2 | -86.3 | 137.9 | 0 | 0 | 0 | 106.3 | ||||
| 271 | E | 22.1 | Very low | 25.4 | Very low | 159 Ų | 159 | 121.4 Ų | 121.4 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | cis | -175.5 | 121.3 | -5.8 | 161.9 | 163.8 | -137.4 | 0 | 0 | 104 | ||||
| 272 | S | 23.4 | Very low | 25.4 | Very low | 111 Ų | 111 | 125.6 Ų | 125.6 | 78% | 0.776 | 77% | 0.767 | S | S | * | * | 54.7 | 132.3 | 76.7 | -160.8 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 273 | A | 24 | Very low | 25.4 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 69% | 0.694 | 76% | 0.76 | S | S | * | * | cis | -166.2 | 178.9 | -19.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 274 | A | 25.1 | Very low | 25.6 | Very low | 101 Ų | 101 | 126.8 Ų | 126.8 | 84% | 0.835 | 76% | 0.764 | S | S | * | * | trans | 74.4 | 134.5 | 152 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 275 | V | 25.5 | Very low | 25.7 | Very low | 138 Ų | 138 | 128.3 Ų | 128.3 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -90.7 | 138.7 | 163.5 | 166.3 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 276 | P | 39.6 | Very low | 25.7 | Very low | 111 Ų | 111 | 128.1 Ų | 128.1 | 72% | 0.721 | 77% | 0.765 | S | S | * | * | -156.4 | 179.5 | 79.3 | 39.7 | -17.4 | 0 | 0 | 0 | 119.9 | |||||
| 277 | T | 22 | Very low | 25.5 | Very low | 129 Ų | 129 | 123.2 Ų | 123.2 | 79% | 0.791 | 75% | 0.75 | S | S | * | * | trans | 96.7 | 100.9 | 149.5 | 2.2 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 278 | A | 23.3 | Very low | 25.7 | Very low | 86 Ų | 86 | 125.8 Ų | 125.8 | 71% | 0.711 | 76% | 0.762 | S | S | * | * | trans | 80.7 | 146.4 | 133 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 279 | T | 24.3 | Very low | 25.8 | Very low | 134 Ų | 134 | 126.4 Ų | 126.4 | 82% | 0.822 | 76% | 0.76 | S | S | * | * | trans | 91.6 | 101.7 | 155.6 | -41.6 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 280 | C | 22.1 | Very low | 26.1 | Very low | 115 Ų | 115 | 127.1 Ų | 127.1 | 78% | 0.777 | 76% | 0.76 | S | S | * | * | trans | -78.6 | 159 | 154.9 | -41.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 281 | P | 36.4 | Very low | 26 | Very low | 111 Ų | 111 | 125.5 Ų | 125.5 | 72% | 0.721 | 76% | 0.761 | S | S | * | * | -126.2 | 179.4 | 65.4 | 13.5 | 12.4 | 0 | 0 | 0 | 112 | |||||
| 282 | L | 23.5 | Very low | 26.9 | Very low | 159 Ų | 159 | 123.2 Ų | 123.2 | 83% | 0.832 | 76% | 0.76 | S | S | * | * | 49.7 | 139 | 61.7 | -53 | 170.7 | 0 | 0 | 0 | 112.3 | |||||
| 283 | T | 22.9 | Very low | 26.9 | Very low | 121 Ų | 121 | 125.5 Ų | 125.5 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | cis | -140.2 | 160.2 | 12.6 | 1.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 284 | L | 25.7 | Very low | 27.1 | Very low | 150 Ų | 150 | 127.4 Ų | 127.4 | 79% | 0.785 | 77% | 0.765 | S | S | * | * | 44 | 142.7 | 87 | -150.1 | 77.7 | 0 | 0 | 0 | 116.1 | |||||
| 285 | E | 24.8 | Very low | 27.2 | Very low | 177 Ų | 177 | 128.1 Ų | 128.1 | 83% | 0.827 | 76% | 0.764 | S | S | * | * | trans | 71.9 | 150.6 | 174.2 | -69.5 | -162.6 | 102 | 0 | 0 | 117.2 | ||||
| 286 | S | 23.2 | Very low | 27.3 | Very low | 86 Ų | 86 | 125.4 Ų | 125.4 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | cis | -169.3 | 176 | -19.5 | -173.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 287 | V | 27.8 | Very low | 26.9 | Very low | 112 Ų | 112 | 124 Ų | 124 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | 60 | 131 | 162.9 | -79.2 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 288 | E | 28.8 | Very low | 27.6 | Very low | 181 Ų | 181 | 121.7 Ų | 121.7 | 85% | 0.846 | 77% | 0.772 | S | S | * | * | 57.3 | 137.2 | 85.9 | -63.4 | -175 | 138.6 | 0 | 0 | 113.7 | |||||
| 289 | D | 27 | Very low | 28.2 | Very low | 148 Ų | 148 | 128.3 Ų | 128.3 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -163.8 | -162.9 | 0.4 | 167 | 42.8 | 0 | 0 | 0 | 107.5 | ||||
| 290 | V | 30 | Very low | 29.1 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 67% | 0.673 | 78% | 0.775 | S | S | * | * | trans | 88.8 | 84.1 | 158.4 | -165.7 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 291 | S | 24.9 | Very low | 29.9 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 78% | 0.783 | 77% | 0.773 | S | S | * | * | trans | -64.6 | 151.7 | 145.1 | -65 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 292 | P | 39.5 | Very low | 29.4 | Very low | 111 Ų | 111 | 131.4 Ų | 131.4 | 72% | 0.721 | 78% | 0.776 | S | S | * | * | -152.1 | 133.1 | 104.5 | 33.4 | -13.6 | 0 | 0 | 0 | 117.7 | |||||
| 293 | L | 24.7 | Very low | 30 | Very low | 159 Ų | 159 | 129.4 Ų | 129.4 | 83% | 0.832 | 78% | 0.775 | S | S | * | * | 72.7 | 110.2 | 118.9 | -152.9 | 71.6 | 0 | 0 | 0 | 121.6 | |||||
| 294 | V | 27 | Very low | 32.2 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 75% | 0.745 | 78% | 0.776 | S | S | * | * | trans | 68.4 | 120.9 | 136.1 | 171.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 295 | S | 28 | Very low | 34.1 | Very low | 116 Ų | 116 | 128 Ų | 128 | 81% | 0.811 | 78% | 0.777 | S | S | * | * | 166.4 | 135.3 | 96 | -153.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 296 | G | 28.5 | Very low | 34.7 | Very low | 81 Ų | 81 | 126.7 Ų | 126.7 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | 66.8 | 162.5 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 297 | G | 30.6 | Very low | 35.1 | Very low | 82 Ų | 82 | 125.9 Ų | 125.9 | 85% | 0.845 | 79% | 0.785 | S | S | * | * | cis | 155.7 | 90.1 | -11.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 298 | G | 36.6 | Very low | 35.6 | Very low | 81 Ų | 81 | 132 Ų | 132 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | 85.7 | 166.2 | 169.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 299 | R | 35.8 | Very low | 35.7 | Very low | 225 Ų | 225 | 132.8 Ų | 132.8 | 85% | 0.849 | 80% | 0.797 | S | S | * | * | cis | -162.1 | 118.8 | 19.9 | 176.6 | -174.2 | 178.7 | -172 | 0.2 | 115.6 | ||||
| 300 | V | 42.6 | Very low | 35.6 | Very low | 122 Ų | 122 | 131.5 Ų | 131.5 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | 38.3 | 129 | 132.5 | -159.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 301 | Q | 40 | Very low | 35.5 | Very low | 158 Ų | 158 | 132.8 Ų | 132.8 | 74% | 0.738 | 81% | 0.807 | S | S | * | * | 165.6 | 148.3 | 124.8 | -90 | 177.5 | 116.9 | 0 | 0 | 111 | |||||
| 302 | N | 26.5 | Very low | 36.8 | Very low | 145 Ų | 145 | 132.6 Ų | 132.6 | 78% | 0.775 | 80% | 0.804 | S | S | * | * | cis | -140.8 | -174 | 27 | -68.9 | -85.5 | 0 | 0 | 0 | 113 | ||||
| 303 | S | 35.4 | Very low | 36.2 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 81% | 0.806 | S | S | * | * | trans | -142.4 | 166.5 | -164.1 | -48.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 304 | P | 69.4 | Low | 36.1 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -120.9 | 171.7 | 176.6 | 42.7 | -32.6 | 0 | 0 | 0 | 116.7 | ||||
| 305 | P | 64.3 | Low | 36 | Very low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -109.1 | 170 | 175.4 | 40.6 | -33.8 | 0 | 0 | 0 | 115.8 | ||||
| 306 | V | 39 | Very low | 35.8 | Very low | 149 Ų | 149 | 131.2 Ų | 131.2 | 90% | 0.903 | 80% | 0.798 | S | S | * | * | trans | -147.8 | 147.6 | -172 | -177.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 307 | G | 31.9 | Very low | 35.6 | Very low | 68 Ų | 68 | 132 Ų | 132 | 70% | 0.701 | 79% | 0.791 | S | S | * | * | trans | -179 | 165.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 308 | R | 37.9 | Very low | 35.3 | Very low | 241 Ų | 241 | 136.4 Ų | 136.4 | 91% | 0.909 | 79% | 0.789 | S | S | * | * | cis | -178.4 | 133.6 | -9.6 | -115.3 | -178.6 | -179 | -147.7 | -0.8 | 110.9 | ||||
| 309 | K | 29.5 | Very low | 34.8 | Very low | 197 Ų | 197 | 136.2 Ų | 136.2 | 86% | 0.857 | 78% | 0.78 | S | S | * | * | trans | 144.9 | 129.5 | 141.9 | -82.2 | 168.6 | -179.1 | 180 | 0 | 117.3 | ||||
| 310 | S | 26.8 | Very low | 34.4 | Very low | 121 Ų | 121 | 132.7 Ų | 132.7 | 85% | 0.846 | 78% | 0.783 | S | S | * | * | trans | 60.3 | 153.8 | 151.2 | 45.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 311 | V | 27.1 | Very low | 33.6 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 84% | 0.836 | 79% | 0.789 | S | S | * | * | trans | -153.5 | 157.5 | -163.9 | 142.6 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 312 | P | 52 | Low | 33 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 71% | 0.708 | 79% | 0.79 | S | S | * | * | cis | -111.9 | -148.8 | 20.1 | 36.8 | -17.3 | 0 | 0 | 0 | 112.7 | ||||
| 313 | L | 26.3 | Very low | 32.9 | Very low | 146 Ų | 146 | 132.7 Ų | 132.7 | 76% | 0.764 | 79% | 0.787 | S | S | * | * | cis | -154.2 | 178.8 | 22.9 | -157.5 | 39.5 | 0 | 0 | 0 | 107.9 | ||||
| 314 | T | 22.8 | Very low | 32.4 | Very low | 124 Ų | 124 | 134.9 Ų | 134.9 | 76% | 0.761 | 79% | 0.788 | S | S | * | * | cis | -160.6 | -175.1 | 35.5 | -45.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 315 | T | 24.7 | Very low | 31.2 | Very low | 126 Ų | 126 | 134.8 Ų | 134.8 | 77% | 0.773 | 79% | 0.787 | S | S | * | * | trans | -75 | 154.4 | -172.5 | -48.1 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 316 | A | 25.1 | Very low | 29.3 | Very low | 83 Ų | 83 | 137 Ų | 137 | 69% | 0.686 | 79% | 0.793 | S | S | * | * | trans | 72.8 | 123.2 | 165.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 317 | S | 23.2 | Very low | 28.7 | Very low | 98 Ų | 98 | 133.1 Ų | 133.1 | 69% | 0.685 | 78% | 0.783 | S | S | * | * | 76.7 | 136.4 | 61 | -67.1 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 318 | E | 24.6 | Very low | 28.4 | Very low | 174 Ų | 174 | 134 Ų | 134 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | cis | -168.4 | 172.9 | 0.2 | -118.5 | 158.1 | 68.3 | 0 | 0 | 108.2 | ||||
| 319 | A | 25.6 | Very low | 27.8 | Very low | 77 Ų | 77 | 126 Ų | 126 | 64% | 0.636 | 78% | 0.784 | S | S | * | * | cis | -159.2 | -167.5 | 1.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 320 | V | 27.7 | Very low | 27.6 | Very low | 152 Ų | 152 | 125.2 Ų | 125.2 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | 82 | 130.7 | 166.6 | -168.6 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 321 | E | 26 | Very low | 27.6 | Very low | 184 Ų | 184 | 127.3 Ų | 127.3 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -133.5 | 170.6 | -165.4 | -175.8 | 168.6 | -176.5 | 0 | 0 | 112.2 | ||||
| 322 | V | 27.2 | Very low | 27.7 | Very low | 125 Ų | 125 | 128.1 Ų | 128.1 | 76% | 0.758 | 78% | 0.779 | S | S | * | * | trans | -119.5 | 118.9 | -168 | 170.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 323 | T | 24 | Very low | 26.7 | Very low | 116 Ų | 116 | 130.1 Ų | 130.1 | 71% | 0.712 | 78% | 0.783 | S | S | * | * | trans | 46.2 | 117.8 | 137.5 | -50.7 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 324 | L | 25 | Very low | 27 | Very low | 163 Ų | 163 | 128.8 Ų | 128.8 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | 82.8 | 160.3 | 154.2 | -71 | 171.4 | 0 | 0 | 0 | 119.5 | ||||
| 325 | P | 45.3 | Very low | 27.3 | Very low | 115 Ų | 115 | 127 Ų | 127 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | trans | -123.4 | 171.4 | -147.4 | 44.6 | -34.4 | 0 | 0 | 0 | 116.9 | ||||
| 326 | D | 22.7 | Very low | 27.6 | Very low | 172 Ų | 172 | 131 Ų | 131 | 92% | 0.92 | 79% | 0.788 | S | S | * | * | trans | -164 | 162.9 | 144.3 | -169.6 | 20.8 | 0 | 0 | 0 | 110.8 | ||||
| 327 | G | 26.8 | Very low | 28 | Very low | 67 Ų | 67 | 130.6 Ų | 130.6 | 69% | 0.691 | 79% | 0.791 | S | S | * | * | trans | 135.6 | 109.3 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 328 | G | 25.5 | Very low | 28.5 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -86.9 | -171.5 | 166.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 329 | G | 25.5 | Very low | 29 | Very low | 72 Ų | 72 | 131.4 Ų | 131.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | 162.2 | 172.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 330 | Q | 26.7 | Very low | 29.3 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | 66.9 | 144.8 | 178.7 | -93.9 | -176.9 | -85.2 | 0 | 0 | 115 | ||||
| 331 | E | 26.3 | Very low | 29.8 | Very low | 166 Ų | 166 | 136.1 Ų | 136.1 | 78% | 0.776 | 80% | 0.8 | S | S | * | * | cis | -140.6 | -176.8 | 3.5 | -61.7 | -153.1 | 104.7 | 0 | 0 | 112.8 | ||||
| 332 | D | 28.7 | Very low | 30.2 | Very low | 154 Ų | 154 | 134.2 Ų | 134.2 | 82% | 0.824 | 80% | 0.795 | S | S | * | * | trans | 95.4 | 146.6 | 154.5 | -144.4 | 9.6 | 0 | 0 | 0 | 119.7 | ||||
| 333 | L | 30.3 | Very low | 30.7 | Very low | 151 Ų | 151 | 133.7 Ų | 133.7 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | -145.5 | 134.6 | -175.3 | -84.9 | 174 | 0 | 0 | 0 | 108.3 | ||||
| 334 | P | 34.2 | Very low | 30.9 | Very low | 119 Ų | 119 | 138.4 Ų | 138.4 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | -155.2 | 174.1 | 82.1 | 40.6 | -22.4 | 0 | 0 | 0 | 117.9 | |||||
| 335 | A | 27.8 | Very low | 31.3 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 70% | 0.702 | 79% | 0.785 | S | S | * | * | trans | 79.4 | 130 | 153.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 336 | K | 32.1 | Very low | 30.7 | Very low | 212 Ų | 212 | 142 Ų | 142 | 92% | 0.922 | 79% | 0.793 | S | S | * | * | trans | 58.3 | 101.6 | 167 | -54.9 | 173.9 | -175.5 | 176.9 | 0 | 115 | ||||
| 337 | G | 32.3 | Very low | 31.4 | Very low | 74 Ų | 74 | 138.4 Ų | 138.4 | 76% | 0.763 | 78% | 0.782 | S | S | * | * | cis | 129.8 | 145.3 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 338 | L | 33.4 | Very low | 31.5 | Very low | 182 Ų | 182 | 144 Ų | 144 | 95% | 0.953 | 79% | 0.79 | S | S | * | * | trans | -171 | 138.3 | 159.3 | -102.7 | 169.8 | 0 | 0 | 0 | 107.1 | ||||
| 339 | S | 36.8 | Very low | 31.6 | Very low | 106 Ų | 106 | 146.2 Ų | 146.2 | 74% | 0.741 | 78% | 0.781 | S | S | * | * | trans | -94.6 | 137 | -179.1 | 51.2 | 0 | 0 | 0 | 0 | 112.3 | R341 | S339-R341 PolarHBondContact O-N 3.45Š| ||
| 340 | V | 31.3 | Very low | 32 | Very low | 135 Ų | 135 | 152.6 Ų | 152.6 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | -3.2 | 113.1 | 144 | 178.6 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 341 | R | 37.6 | Very low | 32.1 | Very low | 194 Ų | 194 | 146.5 Ų | 146.5 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | 69.8 | 100.9 | 56.5 | -173.3 | -169.7 | 161.1 | 172.7 | -5.3 | 114.3 | S339 E343 | S339-R341 PolarHBondContact O-N 3.45Å; R341-E343 IonicContact CZ-OE1 2.81Å; R341-E343 IonicContact NE-OE1 2.79Å; R341-E343 PolarHBondContact NE-OE1 3.39Å; R341-E343 IonicContact NH2-OE1 2.69Å; R341-E343 PolarHBondContact NH2-OE1 3.06Å | |||
| 342 | L | 35.4 | Very low | 32.1 | Very low | 143 Ų | 143 | 143.5 Ų | 143.5 | 75% | 0.749 | 77% | 0.772 | S | S | * | * | trans | -164.8 | 110.5 | 131.9 | -121.2 | 56.5 | 0 | 0 | 0 | 104.1 | ||||
| 343 | E | 36.7 | Very low | 31.9 | Very low | 115 Ų | 115 | 146.3 Ų | 146.3 | 54% | 0.537 | 77% | 0.771 | S | S | . | * | 61.8 | 109.2 | 87.3 | -65.3 | 163.9 | -146.5 | 0 | 0 | 112.7 | R341 | R341-E343 IonicContact CZ-OE1 2.81Å; R341-E343 IonicContact NE-OE1 2.79Å; R341-E343 PolarHBondContact NE-OE1 3.39Å; R341-E343 IonicContact NH2-OE1 2.69Å; R341-E343 PolarHBondContact NH2-OE1 3.06Å | |||
| 344 | F | 29.3 | Very low | 31.7 | Very low | 214 Ų | 214 | 146.3 Ų | 146.3 | 94% | 0.939 | 77% | 0.767 | S | S | * | * | trans | -143.4 | 143.1 | 134.5 | -104.9 | -73.3 | 0 | 0 | 0 | 109.3 | ||||
| 345 | D | 33.5 | Very low | 31.2 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 64% | 0.636 | 77% | 0.765 | S | S | * | * | trans | -85.5 | 158 | -171.1 | -152.6 | -34.3 | 0 | 0 | 0 | 111.7 | S347 | D345-S347 PolarHBondContact OD1-N 3.01Š| ||
| 346 | Y | 31.2 | Very low | 31.1 | Very low | 235 Ų | 235 | 149.9 Ų | 149.9 | 92% | 0.922 | 77% | 0.77 | S | S | * | * | trans | -137.4 | 30.5 | 169.5 | -96.1 | -75.3 | 0 | 0 | 0 | 113.2 | ||||
| 347 | S | 37.5 | Very low | 30.8 | Very low | 96 Ų | 96 | 148.6 Ų | 148.6 | 67% | 0.671 | 77% | 0.767 | S | S | * | * | trans | -88.3 | 140.4 | 136.8 | -43.8 | 0 | 0 | 0 | 0 | 106.9 | D345 | D345-S347 PolarHBondContact OD1-N 3.01Š| ||
| 348 | E | 29.8 | Very low | 30.4 | Very low | 185 Ų | 185 | 153.6 Ų | 153.6 | 86% | 0.864 | 77% | 0.771 | S | S | * | * | cis | -159.8 | 141.4 | 11.7 | 164.6 | 179.2 | -142.7 | 0 | 0 | 107.8 | ||||
| 349 | D | 26.7 | Very low | 30 | Very low | 132 Ų | 132 | 151.8 Ų | 151.8 | 71% | 0.706 | 76% | 0.762 | S | S | * | * | trans | -152.6 | 136.6 | 135.5 | -172.8 | 27.6 | 0 | 0 | 0 | 110.6 | G351 | D349-G351 VanDerWaalsContact CG-N 3.26Å; D349-G351 PolarHBondContact OD1-N 3.4Å; D349-G351 WeakPolarHBondContact OD2-CA 3.36Å; D349-G351 PolarHBondContact OD2-N 2.67Å | ||
| 350 | K | 34.3 | Very low | 29.4 | Very low | 207 Ų | 207 | 151 Ų | 151 | 90% | 0.9 | 76% | 0.763 | S | S | * | * | trans | -124.7 | 32.9 | 166.5 | -134 | -174.2 | -175.1 | -174.7 | 0 | 113.8 | ||||
| 351 | G | 28.2 | Very low | 29.8 | Very low | 53 Ų | 53 | 150.1 Ų | 150.1 | 55% | 0.546 | 76% | 0.759 | S | S | . | * | trans | 99.3 | 150.8 | 147.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | D349 | D349-G351 VanDerWaalsContact CG-N 3.26Å; D349-G351 PolarHBondContact OD1-N 3.4Å; D349-G351 WeakPolarHBondContact OD2-CA 3.36Å; D349-G351 PolarHBondContact OD2-N 2.67Å | ||
| 352 | S | 27.4 | Very low | 29.8 | Very low | 102 Ų | 102 | 145.8 Ų | 145.8 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -158.5 | 177.4 | 163.1 | -164.8 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 353 | W | 24.6 | Very low | 29.5 | Very low | 214 Ų | 214 | 144.6 Ų | 144.6 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 108 | 127.7 | 170.8 | -78.6 | -79.5 | 0 | 0 | 0 | 116.5 | ||||
| 354 | E | 25.8 | Very low | 29.2 | Very low | 151 Ų | 151 | 147.6 Ų | 147.6 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | cis | -144.4 | 136.4 | 3.5 | -177.4 | 138.2 | -128.6 | 0 | 0 | 113.5 | ||||
| 355 | S | 23.2 | Very low | 29.4 | Very low | 104 Ų | 104 | 146.4 Ų | 146.4 | 73% | 0.727 | 76% | 0.761 | S | S | * | * | 177 | 91.5 | 128.5 | -80.2 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 356 | Q | 24.9 | Very low | 29.3 | Very low | 175 Ų | 175 | 148.6 Ų | 148.6 | 82% | 0.818 | 77% | 0.771 | S | S | * | * | 165.8 | 114.8 | 126.3 | -94.5 | 177.8 | 72.4 | 0 | 0 | 114.8 | |||||
| 357 | Q | 26.8 | Very low | 29.2 | Very low | 184 Ų | 184 | 140.4 Ų | 140.4 | 86% | 0.86 | 76% | 0.757 | S | S | * | * | 59.1 | 144.8 | 121.5 | -158.2 | 164.4 | 5.7 | 0 | 0 | 122.5 | |||||
| 358 | E | 23.3 | Very low | 29.2 | Very low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -87.7 | -171 | -171.8 | -141.6 | -170.6 | 136.9 | 0 | 0 | 115.8 | ||||
| 359 | N | 24.8 | Very low | 29.6 | Very low | 144 Ų | 144 | 146.6 Ų | 146.6 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | trans | -97.1 | 141 | -147.2 | -77.2 | -84.9 | 0 | 0 | 0 | 119.2 | ||||
| 360 | A | 24.8 | Very low | 30.4 | Very low | 91 Ų | 91 | 145.9 Ų | 145.9 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | 67.6 | 172.8 | 140 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 361 | P | 39.8 | Very low | 29.9 | Very low | 116 Ų | 116 | 142.3 Ų | 142.3 | 75% | 0.753 | 77% | 0.767 | S | S | * | * | cis | -132.2 | -16.4 | -8 | 40.8 | -30.8 | 0 | 0 | 0 | 124.8 | ||||
| 362 | P | 38.5 | Very low | 29.9 | Very low | 102 Ų | 102 | 143.6 Ų | 143.6 | 66% | 0.662 | 77% | 0.773 | S | S | * | * | trans | -115.4 | 105.8 | -130.4 | 31.5 | -15.2 | 0 | 0 | 0 | 121.4 | ||||
| 363 | T | 27.8 | Very low | 30.1 | Very low | 118 Ų | 118 | 148.8 Ų | 148.8 | 72% | 0.724 | 78% | 0.783 | S | S | * | * | trans | 76.8 | 136.7 | 136.5 | 68.9 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 364 | K | 31.5 | Very low | 30.2 | Very low | 179 Ų | 179 | 146.9 Ų | 146.9 | 78% | 0.778 | 79% | 0.785 | S | S | * | * | trans | 81.1 | 101.1 | 142.5 | -72.9 | 158.2 | -174 | 168.1 | 0 | 123.1 | ||||
| 365 | K | 33.3 | Very low | 30.9 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | 81.2 | 137.3 | 127.9 | -66.3 | -169.6 | 174.9 | -172.7 | 0 | 122.5 | |||||
| 366 | I | 31.2 | Very low | 31.3 | Very low | 166 Ų | 166 | 146 Ų | 146 | 85% | 0.851 | 78% | 0.782 | S | S | * | * | trans | 74.5 | 137.2 | 156 | -120.6 | 69.1 | 0 | 0 | 0 | 116.5 | ||||
| 367 | G | 28.4 | Very low | 31.8 | Very low | 62 Ų | 62 | 149.2 Ų | 149.2 | 64% | 0.639 | 79% | 0.786 | S | S | * | * | cis | 165.2 | 163 | -16.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 368 | K | 38.1 | Very low | 32.1 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | 71.2 | 101.7 | 164.4 | -56.9 | 177.8 | -180 | 177.9 | 0 | 120.2 | ||||
| 369 | K | 38.2 | Very low | 32.7 | Very low | 211 Ų | 211 | 148.2 Ų | 148.2 | 92% | 0.917 | 78% | 0.783 | S | S | * | * | 43.2 | 156.9 | 125.6 | -72.6 | -167 | 174.4 | -172.8 | 0 | 122.7 | |||||
| 370 | P | 44.3 | Very low | 32.7 | Very low | 117 Ų | 117 | 150.1 Ų | 150.1 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | -121.7 | -165.8 | -154.1 | 38.1 | -20 | 0 | 0 | 0 | 115.3 | ||||
| 371 | V | 23.7 | Very low | 33 | Very low | 132 Ų | 132 | 152.6 Ų | 152.6 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | 128.5 | 106.7 | 150.2 | 177 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 372 | A | 26.6 | Very low | 32.4 | Very low | 80 Ų | 80 | 155.9 Ų | 155.9 | 66% | 0.661 | 79% | 0.787 | S | S | * | * | trans | 61.5 | 141.5 | 136.7 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 373 | K | 31.7 | Very low | 32.1 | Very low | 211 Ų | 211 | 160.2 Ų | 160.2 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | 88.7 | 153.2 | 145.2 | -76.5 | 165.4 | -177.8 | 179.5 | 0 | 121.7 | ||||
| 374 | M | 27.4 | Very low | 31.8 | Very low | 173 Ų | 173 | 160.5 Ų | 160.5 | 85% | 0.852 | 80% | 0.798 | S | S | * | * | trans | -75.1 | -177.9 | -178.7 | -62.1 | -173.7 | 80.2 | 0 | 0 | 112.1 | ||||
| 375 | P | 41.6 | Very low | 32 | Very low | 102 Ų | 102 | 157.4 Ų | 157.4 | 66% | 0.662 | 80% | 0.795 | S | S | * | * | cis | -159.8 | 177.1 | 26.4 | 47 | -24.2 | 0 | 0 | 0 | 122.9 | ||||
| 376 | L | 31.5 | Very low | 31.5 | Very low | 135 Ų | 135 | 155.4 Ų | 155.4 | 71% | 0.707 | 79% | 0.789 | S | S | * | * | trans | 53 | 128.8 | 140.2 | -76.1 | 163.4 | 0 | 0 | 0 | 123.2 | ||||
| 377 | R | 34.4 | Very low | 31.2 | Very low | 242 Ų | 242 | 155 Ų | 155 | 91% | 0.913 | 78% | 0.781 | S | S | * | * | -169.5 | 173.3 | 111.1 | -105.8 | 171.3 | -176.5 | 86.4 | -4.5 | 115.7 | |||||
| 378 | R | 33.7 | Very low | 31.1 | Very low | 213 Ų | 213 | 159.5 Ų | 159.5 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | trans | -123.9 | 169 | -174.7 | -52.2 | 170.6 | 174.6 | 149 | -7.2 | 111.8 | ||||
| 379 | P | 35.3 | Very low | 30.4 | Very low | 129 Ų | 129 | 156.4 Ų | 156.4 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -101.8 | -178.1 | 145.8 | -9.7 | 29.7 | 0 | 0 | 0 | 114.6 | ||||
| 380 | K | 25.9 | Very low | 29.8 | Very low | 185 Ų | 185 | 152 Ų | 152 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | -149.8 | 170.7 | -177.4 | -60.7 | 175.4 | 178.1 | 177.4 | 0 | 110.6 | ||||
| 381 | L | 29.4 | Very low | 29.2 | Very low | 142 Ų | 142 | 152.4 Ų | 152.4 | 74% | 0.743 | 77% | 0.77 | S | S | * | * | 173.7 | 126.4 | 114.7 | -111.8 | 90.5 | 0 | 0 | 0 | 116.2 | |||||
| 382 | K | 28.8 | Very low | 29.6 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 80% | 0.804 | 77% | 0.769 | S | S | * | * | trans | 54.9 | 164.2 | 142.7 | -58.6 | -174.1 | -175.4 | 179.7 | 0 | 119.7 | ||||
| 383 | K | 30.5 | Very low | 29.6 | Very low | 194 Ų | 194 | 153 Ų | 153 | 84% | 0.843 | 78% | 0.778 | S | S | * | * | cis | -153.4 | 163.5 | 12.2 | -149.9 | 174.9 | -179.2 | -174.9 | 0 | 111.5 | ||||
| 384 | T | 22.8 | Very low | 29.5 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 76% | 0.761 | 77% | 0.773 | S | S | * | * | trans | -118.5 | -178.7 | 174 | 55.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 385 | P | 34.7 | Very low | 29.9 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 73% | 0.734 | 77% | 0.767 | S | S | * | * | -114.9 | -159.6 | 68 | 42.9 | -38.9 | 0 | 0 | 0 | 112.4 | |||||
| 386 | E | 23.1 | Very low | 29.5 | Very low | 147 Ų | 147 | 146 Ų | 146 | 69% | 0.687 | 77% | 0.77 | S | S | * | * | cis | -156.4 | -170.1 | 10.4 | -141.1 | -168.2 | -174.1 | 0 | 0 | 107.5 | ||||
| 387 | K | 26 | Very low | 29.2 | Very low | 158 Ų | 158 | 150.2 Ų | 150.2 | 69% | 0.687 | 78% | 0.776 | S | S | * | * | cis | -152.1 | -133 | 1.8 | -157.3 | -178.3 | -162 | 83.3 | 0 | 111.1 | ||||
| 388 | L | 26 | Very low | 28.7 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 77% | 0.766 | S | S | * | * | trans | -141.7 | 147.6 | -176.8 | -75.9 | 161.2 | 0 | 0 | 0 | 108.7 | ||||
| 389 | D | 24 | Very low | 29 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | -165.1 | 154.9 | 80.4 | -158.8 | 40.4 | 0 | 0 | 0 | 116.2 | |||||
| 390 | N | 25.4 | Very low | 28.6 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 64% | 0.642 | 76% | 0.764 | S | S | * | * | trans | 25.3 | 108.1 | 161.2 | -71 | -48.7 | 0 | 0 | 0 | 126 | ||||
| 391 | T | 30 | Very low | 28.8 | Very low | 125 Ų | 125 | 137.6 Ų | 137.6 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | 59.9 | 170.9 | 117.8 | 10.8 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 392 | P | 32.1 | Very low | 29.3 | Very low | 120 Ų | 120 | 136.6 Ų | 136.6 | 78% | 0.779 | 77% | 0.769 | S | S | * | * | -130.1 | 169.8 | -126.3 | 42.4 | -23.4 | 0 | 0 | 0 | 118.1 | |||||
| 393 | A | 27.8 | Very low | 29.6 | Very low | 103 Ų | 103 | 132.6 Ų | 132.6 | 85% | 0.851 | 76% | 0.764 | S | S | * | * | trans | -148.9 | 160.2 | 159.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 394 | S | 30.1 | Very low | 29.6 | Very low | 117 Ų | 117 | 130.8 Ų | 130.8 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -120.4 | -150.8 | -168.7 | 56 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 395 | P | 35.2 | Very low | 30.3 | Very low | 112 Ų | 112 | 131.6 Ų | 131.6 | 73% | 0.727 | 76% | 0.762 | S | S | * | * | -110 | -152.3 | -129.8 | 37.1 | -14.1 | 0 | 0 | 0 | 110.9 | |||||
| 396 | P | 33.6 | Very low | 30.4 | Very low | 110 Ų | 110 | 132.3 Ų | 132.3 | 71% | 0.714 | 77% | 0.767 | S | S | * | * | cis | -144.9 | 165.9 | -1 | 46.4 | -27.8 | 0 | 0 | 0 | 118.9 | ||||
| 397 | R | 23.9 | Very low | 30.8 | Very low | 224 Ų | 224 | 133 Ų | 133 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | 50.3 | 95.1 | 127.4 | -167.7 | 177.8 | -165 | 168.2 | 6.3 | 121.9 | |||||
| 398 | S | 24.2 | Very low | 31.1 | Very low | 99 Ų | 99 | 130 Ų | 130 | 69% | 0.692 | 78% | 0.778 | S | S | * | * | 51.3 | -169.6 | 124.9 | 77.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 399 | P | 39.4 | Very low | 31.8 | Very low | 118 Ų | 118 | 132.8 Ų | 132.8 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | cis | -120.7 | -179 | -34.8 | 36.8 | -21.6 | 0 | 0 | 0 | 112.2 | ||||
| 400 | A | 27.1 | Very low | 32.3 | Very low | 101 Ų | 101 | 129.8 Ų | 129.8 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 171.7 | 128.8 | 131.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 401 | E | 30.4 | Very low | 33 | Very low | 186 Ų | 186 | 131.2 Ų | 131.2 | 87% | 0.869 | 80% | 0.798 | S | S | * | * | trans | -82.8 | 176.2 | 153.7 | -104.6 | -178 | 162.1 | 0 | 0 | 109.6 | ||||
| 402 | P | 41.4 | Very low | 33.3 | Very low | 122 Ų | 122 | 131.8 Ų | 131.8 | 79% | 0.792 | 79% | 0.787 | S | S | * | * | cis | -143.6 | -173.9 | 30.9 | 42.4 | -21.1 | 0 | 0 | 0 | 117.7 | ||||
| 403 | S | 34.7 | Very low | 34.2 | Very low | 100 Ų | 100 | 132.2 Ų | 132.2 | 70% | 0.699 | 79% | 0.787 | S | S | * | * | trans | -80 | 157.9 | 175 | 54.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 404 | D | 28.9 | Very low | 35.2 | Very low | 157 Ų | 157 | 134.6 Ų | 134.6 | 84% | 0.84 | 78% | 0.779 | S | S | * | * | -162.8 | 169.9 | 118.9 | -130.4 | -39 | 0 | 0 | 0 | 113.7 | |||||
| 405 | I | 38.1 | Very low | 36.5 | Very low | 140 Ų | 140 | 132.9 Ų | 132.9 | 72% | 0.718 | 76% | 0.76 | S | S | * | * | trans | -133.6 | 138.1 | -174.4 | -45.9 | 173.2 | 0 | 0 | 0 | 111.3 | ||||
| 406 | P | 36.8 | Very low | 37.8 | Very low | 128 Ų | 128 | 133.5 Ų | 133.5 | 83% | 0.831 | 76% | 0.757 | S | S | * | * | trans | -140.3 | 158.4 | 133.2 | 33.3 | -18.1 | 0 | 0 | 0 | 115.2 | ||||
| 407 | I | 32.4 | Very low | 39.2 | Very low | 161 Ų | 161 | 135.8 Ų | 135.8 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | -87.2 | 138.7 | -176.6 | -63.4 | 163.7 | 0 | 0 | 0 | 111.3 | ||||
| 408 | A | 32.2 | Very low | 41.2 | Very low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -125.7 | 140.2 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 409 | K | 39.8 | Very low | 42.9 | Very low | 215 Ų | 215 | 135 Ų | 135 | 94% | 0.935 | 75% | 0.747 | S | S | * | * | trans | -86.4 | 124.3 | 178.2 | -63 | 175.9 | -177.6 | 176 | 0 | 109.6 | ||||
| 410 | G | 33.8 | Very low | 43.8 | Very low | 72 Ų | 72 | 137.2 Ų | 137.2 | 74% | 0.742 | 75% | 0.753 | S | S | * | * | trans | -155.5 | 140.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y412 | G410-Y412 PolarHBondContact O-N 2.87Š| ||
| 411 | T | 41 | Very low | 46 | Very low | 151 Ų | 151 | 136.7 Ų | 136.7 | 93% | 0.926 | 74% | 0.736 | S | S | * | * | trans | -76.9 | 120.2 | -175.6 | -34.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 412 | Y | 35.5 | Very low | 47.7 | Very low | 137 Ų | 137 | 134.3 Ų | 134.3 | 54% | 0.537 | 74% | 0.737 | S | S | . | * | trans | -118.2 | 119.3 | 178.1 | -169.3 | -85.8 | 0 | 0 | 0 | 110.4 | G410 F414 P426 | G410-Y412 PolarHBondContact O-N 2.87Å; Y412-F414 HydrophobicContact CD1-CD1 4.13Å; Y412-F414 AromaticContact CD1-CD2 3.9Å; Y412-F414 HydrophobicContact CD1-CD2 3.9Å; Y412-F414 AromaticContact CD1-CE1 3.9Å; Y412-F414 HydrophobicContact CD1-CE1 3.9Å; Y412-F414 AromaticContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CG 4.13Å; Y412-F414 AromaticContact CD1-CZ 3.65Å; Y412-F414 HydrophobicContact CD1-CZ 3.65Å; Y412-F414 AromaticContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD2 4.4Å; Y412-F414 AromaticContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE2 4.23Å; Y412-F414 HydrophobicContact CE1-CG 4.19Å; Y412-F414 AromaticContact CE1-CZ 3.83Å; Y412-F414 HydrophobicContact CE1-CZ 3.83Å; Y412-P426 PolarHBondContact OH-O 2.82Å | ||
| 413 | T | 51.1 | Low | 48.6 | Very low | 128 Ų | 128 | 135.5 Ų | 135.5 | 79% | 0.785 | 74% | 0.737 | S | S | * | * | trans | -90 | 110.2 | 178.8 | 48.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 414 | F | 50 | Low | 50.3 | Low | 153 Ų | 153 | 135.9 Ų | 135.9 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | trans | -79 | 125.8 | 170 | -67.9 | -86.2 | 0 | 0 | 0 | 110.3 | Y412 | Y412-F414 HydrophobicContact CD1-CD1 4.13Å; Y412-F414 AromaticContact CD1-CD2 3.9Å; Y412-F414 HydrophobicContact CD1-CD2 3.9Å; Y412-F414 AromaticContact CD1-CE1 3.9Å; Y412-F414 HydrophobicContact CD1-CE1 3.9Å; Y412-F414 AromaticContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CE2 3.65Å; Y412-F414 HydrophobicContact CD1-CG 4.13Å; Y412-F414 AromaticContact CD1-CZ 3.65Å; Y412-F414 HydrophobicContact CD1-CZ 3.65Å; Y412-F414 AromaticContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD1 3.79Å; Y412-F414 HydrophobicContact CE1-CD2 4.4Å; Y412-F414 AromaticContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE1 3.59Å; Y412-F414 HydrophobicContact CE1-CE2 4.23Å; Y412-F414 HydrophobicContact CE1-CG 4.19Å; Y412-F414 AromaticContact CE1-CZ 3.83Å; Y412-F414 HydrophobicContact CE1-CZ 3.83Å | ||
| 415 | D | 56.8 | Low | 51.7 | Low | 81 Ų | 81 | 132.8 Ų | 132.8 | 43% | 0.433 | 71% | 0.709 | S | S | . | * | trans | -98.3 | 116.2 | 174 | -171.8 | -10.3 | 0 | 0 | 0 | 109 | D417 K418 W419 | D415-D417 PolarHBondContact OD1-N 3.08Å; D415-K418 HydrophobicContact CB-CD 4.17Å; D415-K418 WeakPolarHBondContact OD2-CD 3.46Å; D415-K418 WeakPolarHBondContact OD2-CE 3.48Å; D415-W419 PolarHBondContact O-NE1 3.43Å | ||
| 416 | I | 61.7 | Low | 52.4 | Low | 126 Ų | 126 | 129.4 Ų | 129.4 | 65% | 0.646 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -80.1 | -27.3 | -169.8 | -63.9 | 176.2 | 0 | 0 | 0 | 111.5 | K418 W419 | I416-K418 PolarHBondContact O-N 3.35Å; I416-W419 PolarHBondContact O-N 2.89Å |
| 417 | D | 63.8 | Low | 53 | Low | 157 Ų | 157 | 132 Ų | 132 | 84% | 0.84 | 70% | 0.695 | S | S | * | * | G | 310 helix | trans | -75.2 | 3.2 | -176.4 | -68.6 | -21 | 0 | 0 | 0 | 113.5 | D415 | D415-D417 PolarHBondContact OD1-N 3.08Š|
| 418 | K | 65.9 | Low | 53.6 | Low | 106 Ų | 106 | 128.1 Ų | 128.1 | 46% | 0.461 | 68% | 0.682 | S | S | . | * | G | 310 helix | trans | -109.7 | 1 | -178.1 | -64 | -178.2 | -177.8 | -67.3 | 0 | 114.8 | D415 I416 D420 D421 F424 | D415-K418 HydrophobicContact CB-CD 4.17Å; D415-K418 WeakPolarHBondContact OD2-CD 3.46Å; D415-K418 WeakPolarHBondContact OD2-CE 3.48Å; I416-K418 PolarHBondContact O-N 3.35Å; K418-D420 PolarHBondContact O-N 2.88Å; K418-D421 PolarHBondContact O-N 2.92Å; K418-F424 HydrophobicContact CB-CD2 4.32Å; K418-F424 HydrophobicContact CB-CE2 4.26Å; K418-F424 HydrophobicContact CD-CE2 4.31Å |
| 419 | W | 60.7 | Low | 54 | Low | 200 Ų | 200 | 128.9 Ų | 128.9 | 76% | 0.758 | 68% | 0.682 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -12.3 | -173.5 | -75.5 | 47.6 | 0 | 0 | 0 | 114.5 | D415 I416 | D415-W419 PolarHBondContact O-NE1 3.43Å; I416-W419 PolarHBondContact O-N 2.89Å |
| 420 | D | 58.3 | Low | 54.3 | Low | 165 Ų | 165 | 125 Ų | 125 | 88% | 0.882 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.3 | 11.9 | -179 | -140 | 13.1 | 0 | 0 | 0 | 112.7 | K418 P422 | K418-D420 PolarHBondContact O-N 2.88Å; D420-P422 WeakPolarHBondContact O-CD 3.27Å |
| 421 | D | 72.6 | Confident | 54.5 | Low | 90 Ų | 90 | 126.8 Ų | 126.8 | 48% | 0.481 | 68% | 0.677 | S | S | . | * | trans | -87.8 | 110.1 | 171.4 | -177.2 | -15.3 | 0 | 0 | 0 | 110.4 | K418 N423 F424 | K418-D421 PolarHBondContact O-N 2.92Å; D421-N423 PolarHBondContact O-N 2.86Å; D421-N423 PolarHBondContact OD1-N 3.21Å; D421-F424 HydrophobicContact CB-CB 4.28Å; D421-F424 WeakPolarHBondContact O-CB 3.43Å; D421-F424 PolarHBondContact O-N 3.04Å; D421-F424 VanDerWaalsContact O-N 3.15Å | ||
| 422 | P | 65.9 | Low | 54.5 | Low | 137 Ų | 137 | 129.1 Ų | 129.1 | 89% | 0.89 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | 1.6 | -175.8 | 31.6 | -37.3 | 0 | 0 | 0 | 114.4 | D420 | D420-P422 WeakPolarHBondContact O-CD 3.27Š|
| 423 | N | 61.1 | Low | 54.3 | Low | 146 Ų | 146 | 130.5 Ų | 130.5 | 78% | 0.781 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.8 | 15.7 | 174.5 | -157.8 | 36.1 | 0 | 0 | 0 | 112.8 | D421 N425 | D421-N423 PolarHBondContact O-N 2.86Å; D421-N423 PolarHBondContact OD1-N 3.21Å; N423-N425 PolarHBondContact O-N 3.42Å; N423-N425 VanDerWaalsContact O-N 3.16Å |
| 424 | F | 69 | Low | 53.5 | Low | 109 Ų | 109 | 133.1 Ų | 133.1 | 48% | 0.478 | 69% | 0.691 | S | S | . | * | trans | -68.9 | 106.3 | 177.7 | -174.6 | -97 | 0 | 0 | 0 | 112.1 | K418 D421 P426 | K418-F424 HydrophobicContact CB-CD2 4.32Å; K418-F424 HydrophobicContact CB-CE2 4.26Å; K418-F424 HydrophobicContact CD-CE2 4.31Å; D421-F424 HydrophobicContact CB-CB 4.28Å; D421-F424 WeakPolarHBondContact O-CB 3.43Å; D421-F424 PolarHBondContact O-N 3.04Å; D421-F424 VanDerWaalsContact O-N 3.15Å; F424-P426 HydrophobicContact CE1-CB 4.08Å; F424-P426 WeakPolarHBondContact O-CD 3.47Å | ||
| 425 | N | 59 | Low | 52.7 | Low | 92 Ų | 92 | 135.3 Ų | 135.3 | 49% | 0.492 | 70% | 0.704 | S | S | . | * | trans | -96.5 | 108.5 | 173.9 | 173.6 | 5.6 | 0 | 0 | 0 | 110.8 | N423 F427 S428 | N423-N425 PolarHBondContact O-N 3.42Å; N423-N425 VanDerWaalsContact O-N 3.16Å; N425-F427 PolarHBondContact O-N 3.12Å; N425-F427 VanDerWaalsContact O-N 3.16Å; N425-F427 PolarHBondContact OD1-N 2.88Å; N425-F427 VanDerWaalsContact OD1-N 3.11Å; N425-S428 WeakPolarHBondContact CB-OG 3.31Å; N425-S428 PolarHBondContact ND2-OG 3.37Å; N425-S428 WeakPolarHBondContact O-CB 3.35Å; N425-S428 PolarHBondContact O-N 2.9Å; N425-S428 PolarHBondContact O-OG 2.84Å | ||
| 426 | P | 53.7 | Low | 51.6 | Low | 68 Ų | 68 | 136.6 Ų | 136.6 | 44% | 0.442 | 72% | 0.719 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.2 | -12.7 | -173.5 | 28.2 | -35.9 | 0 | 0 | 0 | 114.8 | Y412 F424 | Y412-P426 PolarHBondContact OH-O 2.82Å; F424-P426 HydrophobicContact CE1-CB 4.08Å; F424-P426 WeakPolarHBondContact O-CD 3.47Å |
| 427 | F | 49 | Very low | 50.5 | Low | 182 Ų | 182 | 137 Ų | 137 | 80% | 0.798 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 8.6 | 177.8 | -66.5 | -77 | 0 | 0 | 0 | 113.7 | N425 S429 | N425-F427 PolarHBondContact O-N 3.12Å; N425-F427 VanDerWaalsContact O-N 3.16Å; N425-F427 PolarHBondContact OD1-N 2.88Å; N425-F427 VanDerWaalsContact OD1-N 3.11Å; F427-S429 PolarHBondContact O-N 3.45Å |
| 428 | S | 43.6 | Very low | 49 | Very low | 81 Ų | 81 | 135.9 Ų | 135.9 | 57% | 0.566 | 73% | 0.729 | S | S | * | * | trans | -74.7 | 41.7 | -178.5 | -49.5 | 0 | 0 | 0 | 0 | 114.2 | N425 | N425-S428 WeakPolarHBondContact CB-OG 3.31Å; N425-S428 PolarHBondContact ND2-OG 3.37Å; N425-S428 WeakPolarHBondContact O-CB 3.35Å; N425-S428 PolarHBondContact O-N 2.9Å; N425-S428 PolarHBondContact O-OG 2.84Å | ||
| 429 | S | 41.2 | Very low | 47.3 | Very low | 111 Ų | 111 | 138.8 Ų | 138.8 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | trans | -67.9 | 136.6 | 174.4 | -170.8 | 0 | 0 | 0 | 0 | 110.5 | F427 S431 | F427-S429 PolarHBondContact O-N 3.45Å; S429-S431 VanDerWaalsContact C-N 3.35Å; S429-S431 PolarHBondContact O-N 3.48Å | ||
| 430 | T | 45.9 | Very low | 45.7 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 82% | 0.822 | 75% | 0.752 | S | S | * | * | trans | -74.8 | 83.1 | -173.7 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | K432 | T430-K432 PolarHBondContact O-N 3.34Å; T430-K432 VanDerWaalsContact O-N 3.14Å | ||
| 431 | S | 39.4 | Very low | 44.3 | Very low | 108 Ų | 108 | 135.5 Ų | 135.5 | 76% | 0.755 | 75% | 0.749 | S | S | * | * | trans | -61.2 | 114.2 | 171.5 | -173.4 | 0 | 0 | 0 | 0 | 110.7 | S429 | S429-S431 VanDerWaalsContact C-N 3.35Å; S429-S431 PolarHBondContact O-N 3.48Å | ||
| 432 | K | 39.7 | Very low | 42.1 | Very low | 201 Ų | 201 | 140.3 Ų | 140.3 | 87% | 0.874 | 77% | 0.769 | S | S | * | * | trans | -131.4 | 105.7 | 161.4 | -77.6 | -167.4 | 174.8 | -172.1 | 0 | 108.1 | T430 | T430-K432 PolarHBondContact O-N 3.34Å; T430-K432 VanDerWaalsContact O-N 3.14Å | ||
| 433 | M | 32.6 | Very low | 40.4 | Very low | 165 Ų | 165 | 139 Ų | 139 | 81% | 0.813 | 76% | 0.763 | S | S | * | * | trans | -127.4 | 159.9 | 167.5 | -71.3 | -168.6 | 71.2 | 0 | 0 | 109.4 | ||||
| 434 | Q | 34.5 | Very low | 38.8 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 70.6 | 100.6 | 173.1 | -51.7 | -174.7 | -71.8 | 0 | 0 | 116.6 | ||||
| 435 | E | 31.8 | Very low | 37 | Very low | 199 Ų | 199 | 143.5 Ų | 143.5 | 93% | 0.93 | 78% | 0.777 | S | S | * | * | -145.5 | 148.6 | 113.1 | -118 | 175.9 | -178.6 | 0 | 0 | 109.2 | |||||
| 436 | S | 34.9 | Very low | 35.7 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 79% | 0.794 | S | S | * | * | trans | -107.9 | 137.4 | -168.4 | -59.4 | 0 | 0 | 0 | 0 | 112 | T438 | S436-T438 PolarHBondContact O-N 2.85Š| ||
| 437 | P | 37.4 | Very low | 34.6 | Very low | 135 Ų | 135 | 151.3 Ų | 151.3 | 88% | 0.877 | 81% | 0.806 | S | S | * | * | trans | -74.9 | 115.7 | 171.5 | -11.5 | 27.5 | 0 | 0 | 0 | 111.2 | ||||
| 438 | T | 32 | Very low | 34.4 | Very low | 133 Ų | 133 | 147.6 Ų | 147.6 | 82% | 0.816 | 80% | 0.8 | S | S | * | * | trans | -80.6 | 147.8 | 167.7 | 46.9 | 0 | 0 | 0 | 0 | 111.7 | S436 | S436-T438 PolarHBondContact O-N 2.85Š| ||
| 439 | L | 30 | Very low | 34 | Very low | 166 Ų | 166 | 151.5 Ų | 151.5 | 87% | 0.869 | 82% | 0.815 | S | S | * | * | trans | -57.7 | 137.1 | 178.8 | -77.9 | 162.4 | 0 | 0 | 0 | 113.7 | ||||
| 440 | S | 27.9 | Very low | 33.8 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | trans | -91.5 | 107.4 | 161.1 | 56.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 441 | Q | 28.8 | Very low | 33 | Very low | 178 Ų | 178 | 150.1 Ų | 150.1 | 83% | 0.832 | 82% | 0.816 | S | S | * | * | trans | -90 | 128.2 | 167.1 | -76.1 | -171.8 | -16.8 | 0 | 0 | 110.8 | ||||
| 442 | Q | 26.9 | Very low | 32.6 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -173.8 | 127.3 | 132.4 | -106.3 | 170.4 | 15.1 | 0 | 0 | 112.2 | ||||
| 443 | S | 29.8 | Very low | 32.1 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 82% | 0.815 | S | S | * | * | trans | 51.6 | 118.4 | 151.9 | -173.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 444 | Y | 27.1 | Very low | 32.2 | Very low | 216 Ų | 216 | 148.3 Ų | 148.3 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | cis | -161.6 | 174 | 48.6 | -165.2 | -105 | 0 | 0 | 0 | 112.1 | ||||
| 445 | N | 32.6 | Very low | 32.2 | Very low | 134 Ų | 134 | 147 Ų | 147 | 72% | 0.717 | 81% | 0.805 | S | S | * | * | trans | -101.4 | 148.9 | -175.1 | -95.6 | -93.9 | 0 | 0 | 0 | 114.3 | ||||
| 446 | F | 30.1 | Very low | 32.3 | Very low | 195 Ų | 195 | 145 Ų | 145 | 86% | 0.855 | 80% | 0.8 | S | S | * | * | -156.8 | 166.9 | 122.8 | -143.1 | -102 | 0 | 0 | 0 | 113.4 | |||||
| 447 | D | 32 | Very low | 32.7 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 69% | 0.69 | 79% | 0.79 | S | S | * | * | trans | -74.1 | 164.1 | -166.2 | -99.4 | -24.1 | 0 | 0 | 0 | 117 | ||||
| 448 | P | 44 | Very low | 32.3 | Very low | 104 Ų | 104 | 146.7 Ų | 146.7 | 68% | 0.675 | 79% | 0.789 | S | S | * | * | trans | -92.3 | 140.1 | 170.6 | 36.8 | -30.8 | 0 | 0 | 0 | 113.1 | ||||
| 449 | D | 34.9 | Very low | 32.3 | Very low | 164 Ų | 164 | 150.7 Ų | 150.7 | 88% | 0.877 | 80% | 0.795 | S | S | * | * | trans | -180 | 107.6 | 138.4 | -101.8 | -18.7 | 0 | 0 | 0 | 109.8 | ||||
| 450 | A | 37.1 | Very low | 32.2 | Very low | 102 Ų | 102 | 147.3 Ų | 147.3 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | trans | -158.6 | 116.4 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 451 | C | 28.5 | Very low | 32.1 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 77% | 0.77 | 79% | 0.786 | S | S | * | * | trans | -91 | -178.7 | 177.9 | -64 | 0 | 0 | 0 | 0 | 112 | ||||
| 452 | E | 31.6 | Very low | 32 | Very low | 174 Ų | 174 | 142.5 Ų | 142.5 | 81% | 0.813 | 78% | 0.778 | S | S | * | * | trans | 73.6 | 123.9 | 158.7 | -74.3 | 171.5 | 166.4 | 0 | 0 | 115.3 | ||||
| 453 | E | 28.5 | Very low | 32.1 | Very low | 170 Ų | 170 | 143.2 Ų | 143.2 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | 91.8 | 144.1 | 91.6 | -171.3 | 169.4 | -122.1 | 0 | 0 | 110.6 | |||||
| 454 | S | 35.3 | Very low | 32.6 | Very low | 91 Ų | 91 | 144.3 Ų | 144.3 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | cis | -150.3 | 161.6 | 10.4 | 18.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 455 | L | 33.9 | Very low | 33.2 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 82% | 0.822 | 77% | 0.773 | S | S | * | * | trans | 37.8 | 123.6 | 133.8 | -54.2 | 172.1 | 0 | 0 | 0 | 123 | ||||
| 456 | D | 33.9 | Very low | 32.9 | Very low | 157 Ų | 157 | 138 Ų | 138 | 84% | 0.84 | 78% | 0.775 | S | S | * | * | 72.8 | 145 | 124.8 | -141.4 | 51.4 | 0 | 0 | 0 | 121.4 | |||||
| 457 | P | 44.8 | Very low | 33 | Very low | 84 Ų | 84 | 133.9 Ų | 133.9 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | trans | -103.9 | 178.7 | -168.2 | 38.7 | -31.2 | 0 | 0 | 0 | 116.2 | ||||
| 458 | F | 29.5 | Very low | 33.6 | Very low | 195 Ų | 195 | 133.1 Ų | 133.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 74.1 | 98.6 | 172.2 | -52.7 | -74.4 | 0 | 0 | 0 | 118.8 | ||||
| 459 | K | 31.9 | Very low | 32.7 | Very low | 216 Ų | 216 | 132.5 Ų | 132.5 | 94% | 0.939 | 77% | 0.771 | S | S | * | * | -156.9 | 157.2 | 116.7 | -117 | 167.2 | -174.9 | 169.6 | 0 | 113.3 | |||||
| 460 | A | 27.2 | Very low | 32.5 | Very low | 95 Ų | 95 | 134.1 Ų | 134.1 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -92.4 | 166.4 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 461 | S | 24.9 | Very low | 32.2 | Very low | 104 Ų | 104 | 134.8 Ų | 134.8 | 73% | 0.727 | 77% | 0.769 | S | S | * | * | 179.5 | 133.7 | 119 | -172.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 462 | S | 27 | Very low | 32.5 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 77% | 0.771 | S | S | * | * | trans | 63.5 | 128.6 | 138.4 | 63.7 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 463 | K | 30.4 | Very low | 32.1 | Very low | 206 Ų | 206 | 131.6 Ų | 131.6 | 90% | 0.896 | 77% | 0.77 | S | S | * | * | trans | 88 | 132.6 | 135.6 | -78.2 | 172.6 | 178.5 | 177.5 | 0 | 120.9 | ||||
| 464 | T | 38.7 | Very low | 31.9 | Very low | 131 Ų | 131 | 128.4 Ų | 128.4 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -83.7 | 174.5 | 165.7 | 57.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 465 | P | 40.4 | Very low | 31.6 | Very low | 110 Ų | 110 | 132.4 Ų | 132.4 | 71% | 0.714 | 77% | 0.772 | S | S | * | * | -150.4 | 164.9 | 91 | 40.3 | -23.4 | 0 | 0 | 0 | 117.5 | |||||
| 466 | S | 26.5 | Very low | 31.1 | Very low | 107 Ų | 107 | 131.9 Ų | 131.9 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 54.8 | 116.3 | 144.2 | 61.9 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 467 | S | 32.9 | Very low | 30.8 | Very low | 110 Ų | 110 | 131.3 Ų | 131.3 | 77% | 0.769 | 76% | 0.761 | S | S | * | * | trans | -57.5 | 173.5 | 146 | -24.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 468 | P | 43.3 | Very low | 30.7 | Very low | 112 Ų | 112 | 132.7 Ų | 132.7 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | -160.6 | 166.3 | 68.6 | 43.1 | -21.5 | 0 | 0 | 0 | 120.6 | |||||
| 469 | S | 25.3 | Very low | 30.2 | Very low | 92 Ų | 92 | 127.1 Ų | 127.1 | 64% | 0.643 | 76% | 0.76 | S | S | * | * | trans | 68.1 | 122.8 | 141.4 | 73.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 470 | K | 30.5 | Very low | 29.9 | Very low | 197 Ų | 197 | 122.1 Ų | 122.1 | 86% | 0.857 | 75% | 0.752 | S | S | * | * | 161.1 | 122.8 | 106.5 | -88.1 | 171.4 | -173.9 | 174 | 0 | 112.8 | |||||
| 471 | S | 31.2 | Very low | 29.9 | Very low | 116 Ų | 116 | 122.7 Ų | 122.7 | 81% | 0.811 | 75% | 0.746 | S | S | * | * | trans | -75.9 | 161 | 152.1 | -39.4 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 472 | P | 35.4 | Very low | 30.2 | Very low | 127 Ų | 127 | 124.2 Ų | 124.2 | 83% | 0.825 | 75% | 0.745 | S | S | * | * | -149.7 | 176.9 | 88.6 | 39.6 | -21.5 | 0 | 0 | 0 | 116.7 | |||||
| 473 | A | 23.4 | Very low | 30.1 | Very low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -49.3 | 159.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 474 | S | 24.8 | Very low | 30 | Very low | 102 Ų | 102 | 121.6 Ų | 121.6 | 71% | 0.713 | 74% | 0.74 | S | S | * | * | 168 | 144.5 | 91.9 | -154 | 0 | 0 | 0 | 0 | 115.8 | |||||
| 475 | F | 27.1 | Very low | 29.5 | Very low | 175 Ų | 175 | 123.5 Ų | 123.5 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | trans | 47.2 | 120.5 | 146.1 | -91.6 | -114.8 | 0 | 0 | 0 | 124.9 | ||||
| 476 | E | 24.8 | Very low | 28.9 | Very low | 147 Ų | 147 | 121.5 Ų | 121.5 | 69% | 0.687 | 75% | 0.745 | S | S | * | * | 76.3 | 103.9 | 115.7 | -156.6 | 161.5 | -115.5 | 0 | 0 | 123.7 | |||||
| 477 | I | 27.9 | Very low | 28.9 | Very low | 145 Ų | 145 | 124.6 Ų | 124.6 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | 41.7 | 137.2 | 125.2 | -50.7 | 173.8 | 0 | 0 | 0 | 119.7 | |||||
| 478 | P | 41.1 | Very low | 28.7 | Very low | 112 Ų | 112 | 122.2 Ų | 122.2 | 73% | 0.727 | 75% | 0.746 | S | S | * | * | cis | -142.3 | -170.6 | -25.7 | 43.6 | -24 | 0 | 0 | 0 | 115.7 | ||||
| 479 | A | 20.7 | Very low | 28.1 | Very low | 79 Ų | 79 | 124 Ų | 124 | 65% | 0.653 | 75% | 0.748 | S | S | * | * | trans | 62 | 111.8 | 141.4 | 0 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 480 | S | 25.1 | Very low | 28.2 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | 61.6 | 166.6 | 139.7 | 63.9 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 481 | T | 26.1 | Very low | 28.2 | Very low | 107 Ų | 107 | 126.5 Ų | 126.5 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | -174.8 | 148.2 | 54 | -56.7 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 482 | I | 31 | Very low | 28.5 | Very low | 137 Ų | 137 | 126.5 Ų | 126.5 | 70% | 0.703 | 75% | 0.752 | S | S | * | * | trans | 51 | 172.4 | 155.3 | 11.3 | 177 | 0 | 0 | 0 | 119.4 | ||||
| 483 | E | 26.4 | Very low | 28 | Very low | 159 Ų | 159 | 124.3 Ų | 124.3 | 74% | 0.743 | 74% | 0.744 | S | S | * | * | cis | -130.7 | 150.2 | 27.9 | -81.5 | -64.1 | 172.6 | 0 | 0 | 116.5 | ||||
| 484 | A | 28.1 | Very low | 28.3 | Very low | 84 Ų | 84 | 128.9 Ų | 128.9 | 69% | 0.694 | 75% | 0.746 | S | S | * | * | trans | 176.7 | 128.7 | 146.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 485 | D | 28 | Very low | 28.5 | Very low | 170 Ų | 170 | 133.3 Ų | 133.3 | 91% | 0.909 | 75% | 0.753 | S | S | * | * | trans | -44.8 | 162.6 | -178.4 | -60.3 | -79.1 | 0 | 0 | 0 | 119.2 | ||||
| 486 | G | 28.1 | Very low | 28.6 | Very low | 69 Ų | 69 | 133.9 Ų | 133.9 | 71% | 0.711 | 76% | 0.755 | S | S | * | * | cis | 169.5 | 160.1 | -2.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 487 | D | 25.2 | Very low | 29 | Very low | 171 Ų | 171 | 135.8 Ų | 135.8 | 91% | 0.914 | 76% | 0.761 | S | S | * | * | trans | 28.3 | 138.4 | 166.4 | -137 | 31.2 | 0 | 0 | 0 | 122.4 | ||||
| 488 | G | 28.5 | Very low | 29.4 | Very low | 60 Ų | 60 | 135 Ų | 135 | 62% | 0.619 | 76% | 0.763 | S | S | * | * | cis | -174.1 | 153.8 | 9 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 489 | L | 31.9 | Very low | 29.5 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 78% | 0.78 | 77% | 0.765 | S | S | * | * | trans | 56 | 103.4 | 140.8 | -146.1 | 74.3 | 0 | 0 | 0 | 121.3 | ||||
| 490 | N | 26.1 | Very low | 30 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | 172.2 | 153.2 | 107.6 | -92.4 | -69.3 | 0 | 0 | 0 | 114.5 | |||||
| 491 | K | 31.5 | Very low | 30.3 | Very low | 198 Ų | 198 | 143.2 Ų | 143.2 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -124.9 | -177.2 | 168.9 | -55.5 | 176.7 | -179 | 172.9 | 0 | 107.3 | ||||
| 492 | P | 37.7 | Very low | 30.7 | Very low | 116 Ų | 116 | 144.7 Ų | 144.7 | 75% | 0.753 | 79% | 0.787 | S | S | * | * | cis | -141 | -174.4 | -3.1 | 44.4 | -25.6 | 0 | 0 | 0 | 116 | ||||
| 493 | A | 24.9 | Very low | 30.6 | Very low | 80 Ų | 80 | 144.9 Ų | 144.9 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | 43.4 | 132.3 | 139.8 | 0 | 0 | 0 | 0 | 0 | 125.2 | ||||
| 494 | K | 28.8 | Very low | 30.9 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 51.7 | 110.6 | 140.4 | -62.5 | 175.8 | 178.9 | 174.8 | 0 | 120.4 | ||||
| 495 | K | 29.4 | Very low | 31.2 | Very low | 195 Ų | 195 | 147 Ų | 147 | 85% | 0.848 | 79% | 0.788 | S | S | * | * | 158.8 | 155.2 | 118.7 | -88 | 160.4 | -175.6 | 171.6 | 0 | 116.1 | |||||
| 496 | K | 29.5 | Very low | 31.7 | Very low | 187 Ų | 187 | 149.8 Ų | 149.8 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | 62.3 | 111.8 | 148.6 | -84.8 | -172.8 | 173.4 | -177 | 0 | 122.3 | ||||
| 497 | K | 33.3 | Very low | 32.1 | Very low | 186 Ų | 186 | 151.6 Ų | 151.6 | 81% | 0.809 | 78% | 0.783 | S | S | * | * | 50.3 | 119.8 | 117.2 | -65.4 | -167.9 | 174.7 | -169.8 | 0 | 122 | |||||
| 498 | T | 35.9 | Very low | 32.5 | Very low | 130 Ų | 130 | 152.9 Ų | 152.9 | 80% | 0.798 | 78% | 0.78 | S | S | * | * | trans | -16.7 | 147.1 | 134.7 | 41.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 499 | P | 42.3 | Very low | 32.7 | Very low | 116 Ų | 116 | 159 Ų | 159 | 75% | 0.753 | 79% | 0.79 | S | S | * | * | -120.1 | -177.8 | 82.5 | 38.9 | -32.2 | 0 | 0 | 0 | 112.5 | |||||
| 500 | L | 31.4 | Very low | 32.6 | Very low | 168 Ų | 168 | 156.8 Ų | 156.8 | 88% | 0.88 | 79% | 0.787 | S | S | * | * | cis | -147.7 | -173.9 | 30.3 | -162.7 | 59.6 | 0 | 0 | 0 | 112.4 | ||||
| 501 | K | 32.1 | Very low | 33.4 | Very low | 189 Ų | 189 | 154.8 Ų | 154.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -123.8 | 150.8 | -168.4 | -55.7 | 170.5 | 179.6 | 172.7 | 0 | 114.6 | ||||
| 502 | T | 35 | Very low | 33.4 | Very low | 138 Ų | 138 | 154.3 Ų | 154.3 | 85% | 0.847 | 78% | 0.78 | S | S | * | * | trans | -152.6 | 135.8 | 136.8 | 23.6 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 503 | D | 28.7 | Very low | 32.9 | Very low | 140 Ų | 140 | 159.8 Ų | 159.8 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | cis | 78.3 | 128 | 26.7 | -143.8 | 63.1 | 0 | 0 | 0 | 112.7 | ||||
| 504 | T | 33.5 | Very low | 33.1 | Very low | 87 Ų | 87 | 160.9 Ų | 160.9 | 53% | 0.534 | 79% | 0.788 | S | S | . | * | cis | -143.1 | 162.4 | 5.4 | -15.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 505 | F | 33.8 | Very low | 33.8 | Very low | 202 Ų | 202 | 157.1 Ų | 157.1 | 89% | 0.886 | 78% | 0.783 | S | S | * | * | -161.9 | 173.3 | 74.1 | -99.3 | -83.2 | 0 | 0 | 0 | 112.6 | |||||
| 506 | R | 38.8 | Very low | 33.8 | Very low | 228 Ų | 228 | 155.2 Ų | 155.2 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -162 | 174.9 | -151.2 | -168.4 | 179.4 | -177.3 | -177.5 | 3.5 | 114.2 | ||||
| 507 | V | 35.5 | Very low | 33.6 | Very low | 107 Ų | 107 | 151.9 Ų | 151.9 | 65% | 0.648 | 78% | 0.782 | S | S | * | * | trans | 103.8 | 131.6 | 156.4 | -178 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 508 | K | 33 | Very low | 33.2 | Very low | 197 Ų | 197 | 150.6 Ų | 150.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | cis | -113.6 | -140.5 | 2.6 | -125.3 | 133.9 | -159.1 | 167.5 | 0 | 109.8 | ||||
| 509 | K | 32.7 | Very low | 34.4 | Very low | 189 Ų | 189 | 149.4 Ų | 149.4 | 82% | 0.822 | 78% | 0.779 | S | S | * | * | cis | -147 | 177.3 | -5.9 | -154.6 | -170.4 | 175.3 | -177.1 | 0 | 108.7 | ||||
| 510 | S | 29.7 | Very low | 34.6 | Very low | 102 Ų | 102 | 149.4 Ų | 149.4 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | trans | -161.1 | -166.9 | 179.4 | -47.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 511 | P | 44.3 | Very low | 34.4 | Very low | 103 Ų | 103 | 145.9 Ų | 145.9 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | cis | -149.6 | 171.7 | 1.4 | 43.1 | -22.9 | 0 | 0 | 0 | 120.5 | ||||
| 512 | K | 30.4 | Very low | 34.3 | Very low | 188 Ų | 188 | 145.3 Ų | 145.3 | 82% | 0.817 | 77% | 0.768 | S | S | * | * | trans | 70 | 159.2 | 151.2 | -71.8 | 160 | -176.5 | 178.7 | 0 | 118.4 | ||||
| 513 | R | 28.6 | Very low | 33.8 | Very low | 231 Ų | 231 | 145.6 Ų | 145.6 | 87% | 0.872 | 77% | 0.765 | S | S | * | * | cis | -154.1 | 173.4 | 0.3 | -136.3 | 177.5 | -179.4 | 173.5 | -3.4 | 112.3 | ||||
| 514 | S | 27.6 | Very low | 34.4 | Very low | 104 Ų | 104 | 144.3 Ų | 144.3 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | trans | -103 | -166.1 | 172.6 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 515 | P | 45.3 | Very low | 34.4 | Very low | 112 Ų | 112 | 146.1 Ų | 146.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -151 | -177.8 | 9.4 | 47.8 | -26.8 | 0 | 0 | 0 | 120.4 | ||||
| 516 | L | 28.2 | Very low | 34.7 | Very low | 156 Ų | 156 | 142.6 Ų | 142.6 | 82% | 0.817 | 77% | 0.772 | S | S | * | * | trans | 36.2 | 134.8 | 135 | -168.1 | 76.9 | 0 | 0 | 0 | 124.3 | ||||
| 517 | S | 25.7 | Very low | 34.2 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | 171 | 175.3 | 129.4 | -73.3 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 518 | D | 24.2 | Very low | 33.8 | Very low | 158 Ų | 158 | 136.1 Ų | 136.1 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | -127.2 | -162.4 | -159.6 | -135.5 | -2.1 | 0 | 0 | 0 | 113.7 | ||||
| 519 | P | 60.8 | Low | 33.7 | Very low | 106 Ų | 106 | 133.2 Ų | 133.2 | 69% | 0.688 | 78% | 0.778 | S | S | * | * | trans | -117.9 | -146.2 | -152 | 35.7 | -9.3 | 0 | 0 | 0 | 112.5 | ||||
| 520 | P | 46.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 129.2 Ų | 129.2 | 75% | 0.747 | 77% | 0.771 | S | S | * | * | cis | -141 | -147.4 | -3.2 | 46.3 | -24.4 | 0 | 0 | 0 | 115.8 | ||||
| 521 | S | 29 | Very low | 33.7 | Very low | 94 Ų | 94 | 133.2 Ų | 133.2 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | trans | 77.2 | 150.4 | 167.5 | -91.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 522 | Q | 28.4 | Very low | 32.8 | Very low | 177 Ų | 177 | 132.2 Ų | 132.2 | 83% | 0.827 | 78% | 0.779 | S | S | * | * | cis | -162.5 | 178.8 | -16.4 | -129.3 | 165.3 | -19.4 | 0 | 0 | 111.9 | ||||
| 523 | D | 25.7 | Very low | 33.6 | Very low | 145 Ų | 145 | 128.9 Ų | 128.9 | 78% | 0.775 | 78% | 0.777 | S | S | * | * | trans | -39.2 | 175.4 | 172.6 | -100.6 | -37.1 | 0 | 0 | 0 | 119.4 | ||||
| 524 | P | 41.6 | Very low | 34.3 | Very low | 113 Ų | 113 | 122.6 Ų | 122.6 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | cis | -141.3 | 179.6 | 13.1 | 42.4 | -23.3 | 0 | 0 | 0 | 118.9 | ||||
| 525 | T | 31.7 | Very low | 34.3 | Very low | 124 Ų | 124 | 124 Ų | 124 | 76% | 0.761 | 77% | 0.769 | S | S | * | * | trans | -73.2 | 157.6 | 156.6 | -10 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 526 | P | 41.5 | Very low | 33.6 | Very low | 128 Ų | 128 | 122.9 Ų | 122.9 | 83% | 0.831 | 76% | 0.764 | S | S | * | * | -150.7 | -160.7 | 79.4 | 40.1 | -18.8 | 0 | 0 | 0 | 114.6 | |||||
| 527 | A | 27.6 | Very low | 34 | Very low | 100 Ų | 100 | 121.9 Ų | 121.9 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -121.7 | 162.6 | -169.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 528 | A | 27.1 | Very low | 34.5 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 83% | 0.826 | 76% | 0.757 | S | S | * | * | trans | -167.2 | 144.7 | 150.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 529 | T | 30.6 | Very low | 35.1 | Very low | 136 Ų | 136 | 119.2 Ų | 119.2 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | -89.8 | 154.6 | 160.7 | -31.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 530 | P | 37.4 | Very low | 34.2 | Very low | 105 Ų | 105 | 122.5 Ų | 122.5 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | -151.9 | 170.1 | 110.5 | 39.1 | -22.4 | 0 | 0 | 0 | 116.5 | |||||
| 531 | E | 25.7 | Very low | 34.1 | Very low | 186 Ų | 186 | 120.4 Ų | 120.4 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | trans | 56.6 | 134.9 | 147.1 | -74.8 | 178.9 | 124.1 | 0 | 0 | 124.3 | ||||
| 532 | A | 24.9 | Very low | 34.4 | Very low | 82 Ų | 82 | 122.3 Ų | 122.3 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | -109.3 | -173.2 | 145.1 | 0 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 533 | P | 47.8 | Very low | 35.1 | Very low | 118 Ų | 118 | 120.2 Ų | 120.2 | 77% | 0.766 | 75% | 0.749 | S | S | * | * | cis | -129.8 | -137.8 | 4.8 | 37.4 | -12.5 | 0 | 0 | 0 | 109 | ||||
| 534 | P | 43.8 | Very low | 36.4 | Very low | 99 Ų | 99 | 121.8 Ų | 121.8 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | cis | -137.3 | 179.4 | -15.1 | 32.5 | -8.9 | 0 | 0 | 0 | 116.4 | ||||
| 535 | V | 27.7 | Very low | 36.7 | Very low | 132 Ų | 132 | 123.7 Ų | 123.7 | 80% | 0.8 | 75% | 0.751 | S | S | * | * | trans | 36.1 | 152.8 | 146.8 | -61.1 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 536 | S | 28.7 | Very low | 37.4 | Very low | 89 Ų | 89 | 125.5 Ų | 125.5 | 62% | 0.622 | 75% | 0.748 | S | S | * | * | cis | -170.8 | 156.5 | -24.1 | 56.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 537 | T | 38.5 | Very low | 37.3 | Very low | 135 Ų | 135 | 126.2 Ų | 126.2 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -153.2 | 92.2 | 135 | 11.2 | 0 | 0 | 0 | 0 | 106.6 | ||
| 538 | V | 35.9 | Very low | 37.6 | Very low | 108 Ų | 108 | 126 Ų | 126 | 66% | 0.655 | 74% | 0.743 | S | S | * | * | 62 | 84.6 | 106.4 | 178 | 0 | 0 | 0 | 0 | 110 | |||||
| 539 | V | 35.8 | Very low | 37.8 | Very low | 111 Ų | 111 | 127.3 Ų | 127.3 | 67% | 0.673 | 74% | 0.74 | S | S | * | * | 63.8 | 108 | 55.4 | -173.7 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 540 | H | 42 | Very low | 37.8 | Very low | 176 Ų | 176 | 126.4 Ų | 126.4 | 82% | 0.815 | 74% | 0.735 | S | S | * | * | -152.1 | 114.9 | 116 | -81 | -62.4 | 0 | 0 | 0 | 105.7 | |||||
| 541 | A | 43.7 | Very low | 37.5 | Very low | 71 Ų | 71 | 126.6 Ų | 126.6 | 59% | 0.587 | 74% | 0.738 | S | S | * | * | 98.8 | 117.3 | 80.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 542 | T | 35.8 | Very low | 37.8 | Very low | 134 Ų | 134 | 125.4 Ų | 125.4 | 82% | 0.822 | 73% | 0.733 | S | S | * | * | cis | 57.5 | 136.8 | 5.7 | 66.1 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 543 | D | 43.8 | Very low | 37.8 | Very low | 133 Ų | 133 | 129.3 Ų | 129.3 | 71% | 0.711 | 74% | 0.735 | S | S | * | * | cis | -163.4 | 130 | -0.1 | 158.3 | 48.9 | 0 | 0 | 0 | 107.5 | ||||
| 544 | E | 53.1 | Low | 36.9 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | -150.4 | 139.4 | 174.8 | -70.6 | -173.9 | 167.6 | 0 | 0 | 108 | ||||
| 545 | E | 48 | Very low | 36.2 | Very low | 153 Ų | 153 | 134.8 Ų | 134.8 | 72% | 0.715 | 74% | 0.736 | S | S | * | * | cis | -157.1 | 136 | -13.6 | -121.1 | -160.7 | 155 | 0 | 0 | 104.5 | ||||
| 546 | K | 46.6 | Very low | 36 | Very low | 162 Ų | 162 | 133.9 Ų | 133.9 | 70% | 0.704 | 73% | 0.734 | S | S | * | * | 46.6 | 117.6 | 58.9 | -62.3 | -68 | -175.5 | -179.8 | 0 | 110.4 | |||||
| 547 | L | 38 | Very low | 35.8 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 75% | 0.754 | 74% | 0.738 | S | S | * | * | -164.2 | 176.6 | 60.1 | -79.5 | 170.7 | 0 | 0 | 0 | 111.4 | |||||
| 548 | A | 34.3 | Very low | 35.3 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 71.4 | 149.6 | 151.5 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 549 | V | 32.6 | Very low | 35 | Very low | 127 Ų | 127 | 135 Ų | 135 | 77% | 0.77 | 73% | 0.73 | S | S | * | * | cis | -161.3 | 166.6 | -29.8 | 91.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 550 | T | 31 | Very low | 34.8 | Very low | 118 Ų | 118 | 136.7 Ų | 136.7 | 72% | 0.724 | 74% | 0.735 | S | S | * | * | trans | 15.4 | 136.6 | 168 | 65.1 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 551 | S | 29.8 | Very low | 34.6 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 74% | 0.738 | S | S | * | * | cis | -156.5 | 163.2 | 35.7 | 58.5 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 552 | Q | 32 | Very low | 34 | Very low | 162 Ų | 162 | 140.4 Ų | 140.4 | 76% | 0.757 | 75% | 0.75 | S | S | * | * | cis | 73.5 | 78.8 | 33.4 | -160.2 | 173.5 | 10.1 | 0 | 0 | 115.9 | ||||
| 553 | K | 25.6 | Very low | 34.1 | Very low | 164 Ų | 164 | 138.6 Ų | 138.6 | 71% | 0.713 | 75% | 0.748 | S | S | * | * | trans | 59.8 | 95.3 | 131.5 | -172 | -162.7 | 174.5 | -175.8 | 0 | 117.7 | ||||
| 554 | W | 27.8 | Very low | 33.6 | Very low | 251 Ų | 251 | 137.3 Ų | 137.3 | 95% | 0.951 | 74% | 0.742 | S | S | * | * | -119.2 | 120.2 | 128.2 | -68.1 | 70 | 0 | 0 | 0 | 106.2 | |||||
| 555 | T | 28.7 | Very low | 32.8 | Very low | 80 Ų | 80 | 136.8 Ų | 136.8 | 49% | 0.491 | 74% | 0.737 | S | S | . | * | cis | 90.4 | 86.1 | 48.1 | -61.3 | 0 | 0 | 0 | 0 | 111.7 | M557 | T555-M557 HydrophobicContact CG2-CB 3.86Å; T555-M557 HydrophobicContact CG2-CG 4.13Å | ||
| 556 | C | 24.6 | Very low | 32 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 76% | 0.764 | 73% | 0.734 | S | S | * | * | trans | -151.1 | 109.9 | 143.6 | -172.8 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 557 | M | 24.2 | Very low | 31.2 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 70% | 0.704 | 74% | 0.74 | S | S | * | * | cis | 67.2 | 44.1 | 9.4 | -71 | -75.7 | 99.3 | 0 | 0 | 116 | T555 | T555-M557 HydrophobicContact CG2-CB 3.86Å; T555-M557 HydrophobicContact CG2-CG 4.13Å | ||
| 558 | T | 27.5 | Very low | 30.9 | Very low | 108 Ų | 108 | 137.4 Ų | 137.4 | 66% | 0.663 | 74% | 0.741 | S | S | * | * | -117.4 | 97.9 | 127.6 | -32.5 | 0 | 0 | 0 | 0 | 104.5 | |||||
| 559 | V | 30.3 | Very low | 31.1 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 64% | 0.636 | 74% | 0.742 | S | S | * | * | 28.3 | 139.7 | 95.8 | -74.5 | 0 | 0 | 0 | 0 | 115.9 | |||||
| 560 | D | 31 | Very low | 31.1 | Very low | 146 Ų | 146 | 141 Ų | 141 | 78% | 0.781 | 74% | 0.744 | S | S | * | * | trans | -56.6 | 143.2 | 177 | -54.5 | -98.6 | 0 | 0 | 0 | 112.5 | ||||
| 561 | L | 38 | Very low | 31.3 | Very low | 169 Ų | 169 | 141 Ų | 141 | 89% | 0.885 | 75% | 0.746 | S | S | * | * | trans | -148.7 | 110.4 | 146 | -108.9 | 147.9 | 0 | 0 | 0 | 108 | A563 | L561-A563 PolarHBondContact O-N 3.3Š| ||
| 562 | D | 32.2 | Very low | 31.5 | Very low | 157 Ų | 157 | 141.5 Ų | 141.5 | 84% | 0.84 | 75% | 0.749 | S | S | * | * | trans | -59.6 | 128.5 | 174.7 | -67 | -98.1 | 0 | 0 | 0 | 111.1 | ||||
| 563 | A | 38.2 | Very low | 31.5 | Very low | 95 Ų | 95 | 140 Ų | 140 | 79% | 0.785 | 75% | 0.746 | S | S | * | * | trans | -142.1 | 81.2 | 164.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | L561 K565 | L561-A563 PolarHBondContact O-N 3.3Å; A563-K565 PolarHBondContact O-N 3.34Å | ||
| 564 | D | 32.4 | Very low | 32.3 | Very low | 107 Ų | 107 | 140.3 Ų | 140.3 | 57% | 0.572 | 76% | 0.755 | S | S | * | * | trans | -47.6 | 126.6 | 158.6 | 158.4 | 67.1 | 0 | 0 | 0 | 109.7 | ||||
| 565 | K | 36.3 | Very low | 33.1 | Very low | 166 Ų | 166 | 130.9 Ų | 130.9 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | -158.4 | 156.8 | 115.6 | -74.5 | -119.3 | 175.4 | -57.9 | 0 | 112.1 | A563 | A563-K565 PolarHBondContact O-N 3.34Š| |||
| 566 | Q | 31.2 | Very low | 33.6 | Very low | 143 Ų | 143 | 134.8 Ų | 134.8 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | -56.7 | 142.7 | -179.1 | -53.1 | -74.2 | -59.3 | 0 | 0 | 113.1 | ||||
| 567 | D | 30.3 | Very low | 34.1 | Very low | 153 Ų | 153 | 138.8 Ų | 138.8 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | -153.6 | 156.8 | 107.5 | -145.8 | -16.7 | 0 | 0 | 0 | 111.5 | |||||
| 568 | F | 31.1 | Very low | 34.8 | Very low | 176 Ų | 176 | 137.5 Ų | 137.5 | 77% | 0.772 | 75% | 0.75 | S | S | * | * | trans | -127.4 | 116.5 | 179.1 | -114.1 | -82.3 | 0 | 0 | 0 | 109.1 | Q570 | F568-Q570 PolarHBondContact O-N 3.03Š| ||
| 569 | P | 39.2 | Very low | 35.2 | Very low | 126 Ų | 126 | 138.5 Ų | 138.5 | 82% | 0.818 | 75% | 0.751 | S | S | * | * | trans | -70.9 | 103.4 | 170.6 | 28.6 | -32.2 | 0 | 0 | 0 | 109.7 | ||||
| 570 | Q | 32.3 | Very low | 35.4 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 80% | 0.799 | 77% | 0.765 | S | S | * | * | trans | -63.3 | 151 | 161.1 | -107.1 | -167 | -114.7 | 0 | 0 | 109.8 | F568 S572 | F568-Q570 PolarHBondContact O-N 3.03Å; Q570-S572 PolarHBondContact O-N 3.33Å | ||
| 571 | P | 34.5 | Very low | 35.9 | Very low | 119 Ų | 119 | 141.9 Ų | 141.9 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | -73.1 | 112.3 | 178.2 | 29.4 | -32.7 | 0 | 0 | 0 | 110.4 | D573 | P571-D573 PolarHBondContact O-N 3.2Å; P571-D573 VanDerWaalsContact O-N 3.08Å | ||
| 572 | S | 34.7 | Very low | 35.6 | Very low | 118 Ų | 118 | 143.6 Ų | 143.6 | 83% | 0.825 | 77% | 0.765 | S | S | * | * | trans | -74 | 98.3 | 174.9 | -63.9 | 0 | 0 | 0 | 0 | 111.9 | Q570 | Q570-S572 PolarHBondContact O-N 3.33Š| ||
| 573 | D | 30.8 | Very low | 35.4 | Very low | 130 Ų | 130 | 145 Ų | 145 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | 75.3 | 139 | 128.9 | -151.9 | -0.3 | 0 | 0 | 0 | 119.8 | P571 S575 | P571-D573 PolarHBondContact O-N 3.2Å; P571-D573 VanDerWaalsContact O-N 3.08Å; D573-S575 WeakPolarHBondContact OD1-CB 3.27Å; D573-S575 PolarHBondContact OD1-N 3.28Å; D573-S575 WeakPolarHBondContact OD2-CB 3.38Å | |||
| 574 | L | 42.8 | Very low | 34.9 | Very low | 170 Ų | 170 | 148.3 Ų | 148.3 | 89% | 0.89 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -105 | 17.4 | 178.7 | -76.5 | 165 | 0 | 0 | 0 | 112.1 | N576 | L574-N576 VanDerWaalsContact C-N 3.31Å; L574-N576 PolarHBondContact O-N 2.9Å |
| 575 | S | 45.1 | Very low | 34.7 | Very low | 54 Ų | 54 | 147.6 Ų | 147.6 | 38% | 0.378 | 77% | 0.771 | S | S | . | * | trans | -76.2 | -3.8 | -169 | -160.5 | 0 | 0 | 0 | 0 | 116.1 | D573 F577 | D573-S575 WeakPolarHBondContact OD1-CB 3.27Å; D573-S575 PolarHBondContact OD1-N 3.28Å; D573-S575 WeakPolarHBondContact OD2-CB 3.38Å; S575-F577 PolarHBondContact O-N 3.09Å | ||
| 576 | N | 39.2 | Very low | 34.5 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | 29 | -173.2 | -75.6 | 14.1 | 0 | 0 | 0 | 115.6 | L574 | L574-N576 VanDerWaalsContact C-N 3.31Å; L574-N576 PolarHBondContact O-N 2.9Å |
| 577 | F | 35.2 | Very low | 34.4 | Very low | 198 Ų | 198 | 144.7 Ų | 144.7 | 87% | 0.868 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.5 | 18 | 177.5 | -145 | -100.1 | 0 | 0 | 0 | 116.6 | S575 | S575-F577 PolarHBondContact O-N 3.09Š|
| 578 | V | 38.4 | Very low | 34.7 | Very low | 115 Ų | 115 | 146.8 Ų | 146.8 | 70% | 0.697 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -133.9 | -1.5 | -179.1 | -167.5 | 0 | 0 | 0 | 0 | 113.9 | ||
| 579 | N | 35.5 | Very low | 34.7 | Very low | 130 Ų | 130 | 146 Ų | 146 | 70% | 0.695 | 79% | 0.788 | S | S | * | * | trans | -111.1 | 17.8 | -168.5 | -72.3 | -41.9 | 0 | 0 | 0 | 116.2 | ||||
| 580 | E | 34.8 | Very low | 34.4 | Very low | 197 Ų | 197 | 147.1 Ų | 147.1 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | trans | -106.4 | 31.9 | 176.9 | -78.5 | -95.4 | 111.5 | 0 | 0 | 112.5 | ||||
| 581 | T | 41.5 | Very low | 34.3 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 79% | 0.786 | S | S | * | * | trans | -132.9 | 59.2 | -179.3 | 27 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 582 | K | 32.4 | Very low | 34 | Very low | 205 Ų | 205 | 150 Ų | 150 | 89% | 0.891 | 79% | 0.787 | S | S | * | * | trans | -137.1 | 127.2 | 151.9 | -75.7 | -160.3 | 174.6 | -173.9 | 0 | 112.2 | ||||
| 583 | F | 28.3 | Very low | 33.7 | Very low | 186 Ų | 186 | 154.9 Ų | 154.9 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | trans | -52.3 | 141.8 | 164.1 | -101 | -116.1 | 0 | 0 | 0 | 111.2 | ||||
| 584 | N | 27.6 | Very low | 33.6 | Very low | 165 Ų | 165 | 154.7 Ų | 154.7 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | trans | -157 | 100.5 | 143.7 | -110 | -2.7 | 0 | 0 | 0 | 108 | ||||
| 585 | S | 26.9 | Very low | 33.1 | Very low | 91 Ų | 91 | 150.8 Ų | 150.8 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -80 | 135.5 | 175.5 | -43.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 586 | P | 32.1 | Very low | 32.4 | Very low | 128 Ų | 128 | 159 Ų | 159 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | trans | -82.3 | 121.9 | 137.7 | -9 | 27.4 | 0 | 0 | 0 | 107.3 | ||||
| 587 | S | 30.7 | Very low | 32.1 | Very low | 120 Ų | 120 | 159.9 Ų | 159.9 | 84% | 0.839 | 80% | 0.796 | S | S | * | * | trans | -94.1 | 111.6 | 168.6 | -168.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 588 | E | 35 | Very low | 32.2 | Very low | 198 Ų | 198 | 158.4 Ų | 158.4 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -130.1 | 145.6 | 162.2 | -164.6 | 157.3 | -143.4 | 0 | 0 | 107.7 | ||||
| 589 | E | 32.5 | Very low | 32.3 | Very low | 160 Ų | 160 | 161.5 Ų | 161.5 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | trans | -113 | 150.4 | -152.5 | -161.8 | -178.1 | 142.6 | 0 | 0 | 111.1 | ||||
| 590 | L | 32.5 | Very low | 32.3 | Very low | 149 Ų | 149 | 165.4 Ų | 165.4 | 78% | 0.78 | 81% | 0.809 | S | S | * | * | trans | 51.4 | 105.5 | 166.5 | -75.9 | 156 | 0 | 0 | 0 | 117.2 | ||||
| 591 | D | 29.7 | Very low | 32.9 | Very low | 148 Ų | 148 | 164.4 Ų | 164.4 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | -166.1 | 176.3 | 112.8 | -125.2 | -26.5 | 0 | 0 | 0 | 114.6 | |||||
| 592 | Y | 28.6 | Very low | 33 | Very low | 203 Ų | 203 | 164.5 Ų | 164.5 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 70.7 | 73.3 | 171.3 | -80.9 | -79.6 | 0 | 0 | 0 | 119.5 | ||||
| 593 | R | 28.8 | Very low | 33.8 | Very low | 219 Ų | 219 | 162.4 Ų | 162.4 | 83% | 0.826 | 79% | 0.789 | S | S | * | * | trans | -58.9 | 164.7 | 136.4 | -163.9 | -175 | -171.4 | -172.5 | 2.5 | 111 | ||||
| 594 | N | 27.9 | Very low | 34.5 | Very low | 127 Ų | 127 | 161.7 Ų | 161.7 | 68% | 0.679 | 79% | 0.793 | S | S | * | * | trans | 78.4 | 107.6 | -179.4 | -55.1 | -3.9 | 0 | 0 | 0 | 113.2 | ||||
| 595 | S | 31.6 | Very low | 34.8 | Very low | 87 Ų | 87 | 157.6 Ų | 157.6 | 61% | 0.608 | 79% | 0.79 | S | S | * | * | 71.4 | 117.8 | 59.3 | 79.2 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 596 | Y | 30.5 | Very low | 35 | Very low | 228 Ų | 228 | 158.5 Ų | 158.5 | 89% | 0.894 | 80% | 0.796 | S | S | * | * | -162.9 | 174.1 | 116.7 | -107.7 | -66.2 | 0 | 0 | 0 | 111.7 | |||||
| 597 | E | 34.7 | Very low | 34.8 | Very low | 178 Ų | 178 | 157 Ų | 157 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | -109.1 | 165.4 | -158.1 | -169.3 | 162.9 | -158.7 | 0 | 0 | 112.1 | ||||
| 598 | I | 36.5 | Very low | 34.9 | Very low | 168 Ų | 168 | 159.1 Ų | 159.1 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -103 | 108.5 | -174.7 | -56.4 | 171.1 | 0 | 0 | 0 | 109.9 | ||||
| 599 | E | 39.9 | Very low | 35.5 | Very low | 179 Ų | 179 | 153.7 Ų | 153.7 | 84% | 0.836 | 77% | 0.772 | S | S | * | * | trans | -146 | 159.6 | 154.5 | -151.1 | 166.7 | -159.7 | 0 | 0 | 113.7 | ||||
| 600 | Y | 36.1 | Very low | 35.4 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 83% | 0.831 | 77% | 0.773 | S | S | * | * | trans | -64.7 | 140.3 | -170.4 | -64.9 | -104.5 | 0 | 0 | 0 | 114.6 | ||||
| 601 | M | 46.6 | Very low | 35.1 | Very low | 176 Ų | 176 | 152.2 Ų | 152.2 | 87% | 0.867 | 77% | 0.765 | S | S | * | * | -174.3 | 178.2 | 108.1 | -94.3 | -120.9 | 65.3 | 0 | 0 | 112.7 | |||||
| 602 | E | 44.1 | Very low | 35.1 | Very low | 127 Ų | 127 | 151.7 Ų | 151.7 | 59% | 0.593 | 76% | 0.762 | S | S | * | * | trans | -119.4 | 141 | -155.3 | 177.5 | -174.2 | -176.2 | 0 | 0 | 112.8 | ||||
| 603 | K | 48.9 | Very low | 35.2 | Very low | 161 Ų | 161 | 148.8 Ų | 148.8 | 70% | 0.7 | 76% | 0.76 | S | S | * | * | trans | 75.3 | 116.6 | 158.9 | -80.5 | 163.1 | -176.8 | 153.6 | 0 | 122.1 | ||||
| 604 | L | 44.1 | Very low | 35.4 | Very low | 171 Ų | 171 | 143.9 Ų | 143.9 | 90% | 0.895 | 76% | 0.755 | S | S | * | * | trans | 76.4 | 123.5 | 132 | -57.5 | 171.3 | 0 | 0 | 0 | 121.5 | ||||
| 605 | G | 32.3 | Very low | 36.2 | Very low | 79 Ų | 79 | 142.5 Ų | 142.5 | 81% | 0.814 | 75% | 0.753 | S | S | * | * | trans | 177.4 | 160.9 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 606 | S | 31.6 | Very low | 36.2 | Very low | 111 Ų | 111 | 147.2 Ų | 147.2 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | trans | -148.2 | 146.2 | -173.7 | 179.1 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 607 | S | 29.2 | Very low | 36.5 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | trans | 63.9 | 111.4 | 152.3 | 45.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 608 | L | 31.9 | Very low | 36.4 | Very low | 164 Ų | 164 | 144.1 Ų | 144.1 | 86% | 0.859 | 75% | 0.753 | S | S | * | * | 49.8 | 142.9 | 95.7 | -171.5 | 72.5 | 0 | 0 | 0 | 118.5 | |||||
| 609 | P | 48.3 | Very low | 36.1 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 55% | 0.545 | 75% | 0.746 | S | S | . | * | cis | -135.6 | -178.4 | -0 | 33.4 | -11.5 | 0 | 0 | 0 | 117.8 | ||||
| 610 | Q | 29.6 | Very low | 35.9 | Very low | 162 Ų | 162 | 139.7 Ų | 139.7 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | trans | 65.3 | 156.8 | 143.5 | -80.1 | 168.1 | -92.9 | 0 | 0 | 119.8 | ||||
| 611 | D | 27.2 | Very low | 35.8 | Very low | 116 Ų | 116 | 138.9 Ų | 138.9 | 62% | 0.62 | 75% | 0.745 | S | S | * | * | cis | -152.7 | 170.9 | 0.2 | -129.7 | -20.3 | 0 | 0 | 0 | 114.6 | ||||
| 612 | D | 28 | Very low | 35.7 | Very low | 137 Ų | 137 | 136.4 Ų | 136.4 | 73% | 0.733 | 73% | 0.734 | S | S | * | * | trans | 45 | 112.6 | 153 | -84.2 | -21.1 | 0 | 0 | 0 | 124.1 | ||||
| 613 | D | 31.1 | Very low | 35 | Very low | 142 Ų | 142 | 136.7 Ų | 136.7 | 76% | 0.759 | 74% | 0.738 | S | S | * | * | 78.2 | 155.5 | 121.2 | -135.5 | -8 | 0 | 0 | 0 | 123 | |||||
| 614 | T | 32.5 | Very low | 34.2 | Very low | 116 Ų | 116 | 136.4 Ų | 136.4 | 71% | 0.712 | 74% | 0.736 | S | S | * | * | trans | -98.5 | -177.3 | -166.4 | 63.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 615 | P | 46.5 | Very low | 33.4 | Very low | 98 Ų | 98 | 135.4 Ų | 135.4 | 64% | 0.636 | 73% | 0.732 | S | S | * | * | cis | -154 | -173.2 | 19.4 | 45.9 | -24.1 | 0 | 0 | 0 | 119.8 | ||||
| 616 | K | 31.3 | Very low | 33.9 | Very low | 185 Ų | 185 | 138 Ų | 138 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | 75.6 | 114.9 | 146.8 | -81.9 | 164.8 | -171.1 | 166.9 | 0 | 121.4 | ||||
| 617 | K | 36.5 | Very low | 34.5 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 74% | 0.743 | 73% | 0.732 | S | S | * | * | 57.9 | 112.7 | 120.6 | -66.3 | -163 | 175.5 | -165.6 | 0 | 118.6 | |||||
| 618 | Q | 31.8 | Very low | 35.2 | Very low | 171 Ų | 171 | 142.5 Ų | 142.5 | 80% | 0.799 | 74% | 0.741 | S | S | * | * | 82.1 | 158.3 | 74.6 | -79.2 | 178.2 | -30.4 | 0 | 0 | 114.4 | |||||
| 619 | A | 31.5 | Very low | 35.3 | Very low | 85 Ų | 85 | 143.5 Ų | 143.5 | 70% | 0.702 | 74% | 0.741 | S | S | * | * | trans | 77.6 | 110.4 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 620 | L | 34.1 | Very low | 34.7 | Very low | 169 Ų | 169 | 144.4 Ų | 144.4 | 89% | 0.885 | 75% | 0.749 | S | S | * | * | 70.3 | 119.3 | 67.2 | -63.8 | 162.9 | 0 | 0 | 0 | 110.9 | |||||
| 621 | Y | 34.3 | Very low | 35.8 | Very low | 195 Ų | 195 | 142.2 Ų | 142.2 | 77% | 0.765 | 75% | 0.749 | S | S | * | * | -160.4 | 168.2 | 73 | -168.7 | -112.2 | 0 | 0 | 0 | 114.6 | M623 | Y621-M623 HydrophobicContact CD1-CG 4.47Å; Y621-M623 HydrophobicContact CE1-CG 3.93Å; Y621-M623 HydrophobicContact CE1-SD 4.04Å | |||
| 622 | L | 44 | Very low | 36.1 | Very low | 123 Ų | 123 | 142.5 Ų | 142.5 | 64% | 0.644 | 76% | 0.755 | S | S | * | * | trans | -64.5 | 160.5 | 176.6 | -164.8 | 71.3 | 0 | 0 | 0 | 113.4 | F624 | L622-F624 HydrophobicContact CD2-CE2 4.49Š| ||
| 623 | M | 31 | Very low | 36.3 | Very low | 134 Ų | 134 | 144.8 Ų | 144.8 | 66% | 0.66 | 76% | 0.758 | S | S | * | * | 158.2 | 108.1 | 121.5 | -81.5 | -165 | 72 | 0 | 0 | 116.4 | Y621 | Y621-M623 HydrophobicContact CD1-CG 4.47Å; Y621-M623 HydrophobicContact CE1-CG 3.93Å; Y621-M623 HydrophobicContact CE1-SD 4.04Å | |||
| 624 | F | 30.9 | Very low | 36.1 | Very low | 154 Ų | 154 | 143.3 Ų | 143.3 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | trans | 71.4 | 148.6 | 137.3 | -72.5 | -87.7 | 0 | 0 | 0 | 125.4 | L622 | L622-F624 HydrophobicContact CD2-CE2 4.49Š| ||
| 625 | D | 28.3 | Very low | 37.1 | Very low | 151 Ų | 151 | 143.3 Ų | 143.3 | 81% | 0.807 | 76% | 0.761 | S | S | * | * | trans | 76.8 | 138.8 | 154 | -62.7 | -16.4 | 0 | 0 | 0 | 123.5 | ||||
| 626 | T | 41.8 | Very low | 37.4 | Very low | 132 Ų | 132 | 143.9 Ų | 143.9 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -114.3 | 164.2 | 177.5 | 62.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 627 | P | 44.5 | Very low | 37.3 | Very low | 121 Ų | 121 | 140.7 Ų | 140.7 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | -147.4 | -171.1 | 97.6 | 36.7 | -18.2 | 0 | 0 | 0 | 114.8 | |||||
| 628 | Q | 43 | Very low | 37 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 76% | 0.764 | S | S | * | * | trans | -20.8 | 148.8 | 173.7 | -64.5 | -178.9 | -29.2 | 0 | 0 | 118 | ||||
| 629 | E | 34 | Very low | 36.9 | Very low | 184 Ų | 184 | 142.5 Ų | 142.5 | 86% | 0.86 | 76% | 0.764 | S | S | * | * | cis | -157.9 | -161.3 | 43.9 | -146.2 | -178.5 | 139.2 | 0 | 0 | 114.3 | ||||
| 630 | S | 36.8 | Very low | 36.7 | Very low | 103 Ų | 103 | 143.1 Ų | 143.1 | 72% | 0.72 | 76% | 0.763 | S | S | * | * | trans | -83.5 | -173 | -179 | -63.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 631 | P | 53.3 | Low | 36.5 | Very low | 117 Ų | 117 | 142.8 Ų | 142.8 | 76% | 0.76 | 76% | 0.763 | S | S | * | * | cis | -139.2 | 162.9 | 9 | 46.4 | -26.8 | 0 | 0 | 0 | 116.8 | ||||
| 632 | V | 33.2 | Very low | 36.3 | Very low | 122 Ų | 122 | 138.3 Ų | 138.3 | 74% | 0.739 | 76% | 0.76 | S | S | * | * | 81.8 | 120.7 | 76 | -169.8 | 0 | 0 | 0 | 0 | 120 | |||||
| 633 | K | 32.7 | Very low | 36.1 | Very low | 185 Ų | 185 | 138.4 Ų | 138.4 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | 88.2 | 120.7 | 148 | -92.5 | 174.9 | -178.7 | 175.3 | 0 | 126.7 | ||||
| 634 | S | 25.3 | Very low | 36.5 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 85.9 | 156.3 | 127.2 | 65.1 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 635 | P | 54.6 | Low | 37 | Very low | 115 Ų | 115 | 135.8 Ų | 135.8 | 75% | 0.747 | 77% | 0.774 | S | S | * | * | trans | -120.3 | -158.8 | -163.4 | 48 | -35 | 0 | 0 | 0 | 113.5 | ||||
| 636 | P | 53.2 | Low | 36.9 | Very low | 111 Ų | 111 | 134.1 Ų | 134.1 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | cis | -130.8 | -159.3 | -14.8 | 31.5 | -7.3 | 0 | 0 | 0 | 114.2 | ||||
| 637 | V | 28.5 | Very low | 36.3 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 72% | 0.715 | 77% | 0.773 | S | S | * | * | trans | 106.7 | 114.1 | 155.2 | -177.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 638 | R | 29.9 | Very low | 35.4 | Very low | 217 Ų | 217 | 131 Ų | 131 | 82% | 0.819 | 77% | 0.771 | S | S | * | * | trans | 44.1 | 148.3 | 147.8 | -65.6 | -163.1 | -74.6 | -177.3 | -4.4 | 120.6 | ||||
| 639 | M | 30.2 | Very low | 34.7 | Very low | 162 Ų | 162 | 128.4 Ų | 128.4 | 80% | 0.798 | 77% | 0.773 | S | S | * | * | cis | -144.1 | 176.5 | 40.5 | -71.9 | -75 | -132.8 | 0 | 0 | 114.3 | ||||
| 640 | S | 28.1 | Very low | 34.6 | Very low | 98 Ų | 98 | 124.7 Ų | 124.7 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -60 | 170.1 | 168.7 | -35.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 641 | D | 28.3 | Very low | 34.1 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 87% | 0.866 | 77% | 0.766 | S | S | * | * | cis | -145.5 | 172.1 | 36.8 | -82 | -53.6 | 0 | 0 | 0 | 114.7 | ||||
| 642 | S | 31.6 | Very low | 33.2 | Very low | 101 Ų | 101 | 128.8 Ų | 128.8 | 71% | 0.706 | 76% | 0.763 | S | S | * | * | trans | -98.6 | 166.8 | 178.2 | 70.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 643 | P | 38.8 | Very low | 33.1 | Very low | 125 Ų | 125 | 129 Ų | 129 | 81% | 0.812 | 76% | 0.76 | S | S | * | * | -137.3 | 144.1 | 71.3 | 35.6 | -19.1 | 0 | 0 | 0 | 116.1 | |||||
| 644 | T | 38.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 125.5 Ų | 125.5 | 76% | 0.761 | 75% | 0.754 | S | S | * | * | trans | -76.4 | 164.5 | 164.5 | -8.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 645 | P | 42.9 | Very low | 33.5 | Very low | 110 Ų | 110 | 129 Ų | 129 | 71% | 0.714 | 76% | 0.758 | S | S | * | * | -149.7 | 158.2 | 71.3 | 40.1 | -21.2 | 0 | 0 | 0 | 118.1 | |||||
| 646 | C | 25.3 | Very low | 32.4 | Very low | 116 Ų | 116 | 127.6 Ų | 127.6 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | 63 | 154.5 | 154.1 | -64.9 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 647 | S | 30.3 | Very low | 31.2 | Very low | 115 Ų | 115 | 129 Ų | 129 | 80% | 0.804 | 76% | 0.757 | S | S | * | * | cis | -169.2 | 160.6 | -29.3 | -101.4 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 648 | G | 25.8 | Very low | 31 | Very low | 73 Ų | 73 | 129.9 Ų | 129.9 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | trans | 94.1 | 114.6 | 180 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 649 | S | 27.9 | Very low | 30.8 | Very low | 127 Ų | 127 | 126.1 Ų | 126.1 | 89% | 0.888 | 76% | 0.758 | S | S | * | * | 91.2 | 116.2 | 51.3 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 650 | S | 30.4 | Very low | 30.8 | Very low | 106 Ų | 106 | 122.8 Ų | 122.8 | 74% | 0.741 | 76% | 0.757 | S | S | * | * | -179.3 | 152.7 | 126.7 | -167.1 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 651 | F | 27 | Very low | 30.6 | Very low | 157 Ų | 157 | 124.9 Ų | 124.9 | 69% | 0.689 | 77% | 0.765 | S | S | * | * | trans | 103.4 | 119.4 | 138.9 | -137.3 | -122 | 0 | 0 | 0 | 120.7 | ||||
| 652 | E | 35.2 | Very low | 30.7 | Very low | 150 Ų | 150 | 121.6 Ų | 121.6 | 70% | 0.701 | 76% | 0.761 | S | S | * | * | trans | 20.2 | 154.9 | 132.9 | -70.1 | -175.3 | -158.9 | 0 | 0 | 121.4 | ||||
| 653 | D | 31 | Very low | 30.6 | Very low | 126 Ų | 126 | 125.8 Ų | 125.8 | 67% | 0.674 | 77% | 0.766 | S | S | * | * | cis | -175.4 | -166.5 | -12.8 | 178.8 | 33.7 | 0 | 0 | 0 | 107.1 | ||||
| 654 | T | 34.3 | Very low | 30.1 | Very low | 111 Ų | 111 | 125.9 Ų | 125.9 | 68% | 0.681 | 76% | 0.759 | S | S | * | * | trans | 85.5 | 88.3 | 160.5 | 66.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 655 | E | 31.1 | Very low | 29.5 | Very low | 186 Ų | 186 | 128 Ų | 128 | 87% | 0.869 | 76% | 0.761 | S | S | * | * | 39.7 | 137.1 | 117.2 | -71.4 | -153 | 115.1 | 0 | 0 | 123.2 | |||||
| 656 | A | 31.1 | Very low | 28.6 | Very low | 85 Ų | 85 | 131.3 Ų | 131.3 | 70% | 0.702 | 77% | 0.766 | S | S | * | * | trans | 85.1 | 106.2 | 132.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 657 | L | 28.4 | Very low | 29.4 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | 77.6 | 115.9 | 116.8 | -164.7 | 70.6 | 0 | 0 | 0 | 119.7 | |||||
| 658 | V | 24.6 | Very low | 29.2 | Very low | 135 Ų | 135 | 131.9 Ų | 131.9 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | -166.7 | 147.9 | 113.7 | 140.2 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 659 | N | 26.8 | Very low | 30 | Very low | 138 Ų | 138 | 132.6 Ų | 132.6 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | -88.2 | 153.6 | -172.9 | -57.1 | -76.7 | 0 | 0 | 0 | 114.2 | ||||
| 660 | A | 29.3 | Very low | 30 | Very low | 93 Ų | 93 | 138.2 Ų | 138.2 | 77% | 0.769 | 76% | 0.756 | S | S | * | * | trans | -165.6 | 82.2 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 661 | T | 24.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 136.3 Ų | 136.3 | 87% | 0.865 | 75% | 0.754 | S | S | * | * | trans | 31.1 | 116.7 | 137.5 | 58.5 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 662 | A | 29.4 | Very low | 29.7 | Very low | 93 Ų | 93 | 138 Ų | 138 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | trans | -172.1 | 131.8 | 131.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 663 | K | 28.9 | Very low | 29.2 | Very low | 190 Ų | 190 | 135.7 Ų | 135.7 | 83% | 0.826 | 78% | 0.776 | S | S | * | * | 64.2 | 126.9 | 60.4 | -72.8 | -166.1 | 172.1 | 179.2 | 0 | 113.3 | |||||
| 664 | L | 29.3 | Very low | 28.8 | Very low | 127 Ų | 127 | 135.2 Ų | 135.2 | 67% | 0.665 | 78% | 0.782 | S | S | * | * | cis | -162.1 | 155.9 | 6.6 | -97.9 | 157.8 | 0 | 0 | 0 | 112.4 | ||||
| 665 | Q | 24.8 | Very low | 28.3 | Very low | 168 Ų | 168 | 137 Ų | 137 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | 70.1 | 138.6 | 141.4 | -76.5 | 166.5 | -18.6 | 0 | 0 | 125.2 | ||||
| 666 | H | 24.8 | Very low | 28 | Very low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 79% | 0.788 | S | S | * | * | trans | -68.3 | -169.8 | 155.1 | -52.8 | -81.9 | 0 | 0 | 0 | 111.6 | ||||
| 667 | P | 42 | Very low | 27.6 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | cis | -124.6 | 172.5 | 4.7 | 14.9 | 14.7 | 0 | 0 | 0 | 114.1 | ||||
| 668 | V | 25.4 | Very low | 28 | Very low | 130 Ų | 130 | 139.4 Ų | 139.4 | 79% | 0.788 | 79% | 0.789 | S | S | * | * | 60.4 | 139.2 | 60.8 | 175.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 669 | P | 44.3 | Very low | 27.9 | Very low | 89 Ų | 89 | 140 Ų | 140 | 58% | 0.578 | 79% | 0.787 | S | S | * | * | cis | -139.4 | -174.4 | 13.1 | 41.5 | -21.8 | 0 | 0 | 0 | 118.6 | ||||
| 670 | R | 27.9 | Very low | 27.8 | Very low | 244 Ų | 244 | 139.5 Ų | 139.5 | 92% | 0.921 | 78% | 0.783 | S | S | * | * | trans | 69 | 147.7 | 153.6 | -72.6 | 162.1 | -163.4 | 145.3 | 4.4 | 119.5 | ||||
| 671 | G | 25.1 | Very low | 27.4 | Very low | 67 Ų | 67 | 143 Ų | 143 | 69% | 0.691 | 78% | 0.784 | S | S | * | * | cis | 158.6 | 171.9 | -8.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 672 | L | 25.9 | Very low | 27.3 | Very low | 191 Ų | 191 | 144 Ų | 144 | 100% | 1 | 78% | 0.783 | S | S | * | * | trans | 72.7 | 156.6 | -179.4 | -62.5 | 171.5 | 0 | 0 | 0 | 116.7 | ||||
| 673 | A | 23.6 | Very low | 27.7 | Very low | 103 Ų | 103 | 144.6 Ų | 144.6 | 85% | 0.851 | 78% | 0.779 | S | S | * | * | trans | -147.4 | 157.7 | -165.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 674 | S | 23.8 | Very low | 27.5 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -158.3 | 119.6 | 164.8 | 59.7 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 675 | N | 23.9 | Very low | 27.2 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 80% | 0.802 | 78% | 0.775 | S | S | * | * | trans | -3.8 | 145 | 154.7 | -83.4 | -69 | 0 | 0 | 0 | 122.5 | ||||
| 676 | Q | 24.5 | Very low | 27.3 | Very low | 186 Ų | 186 | 141.5 Ų | 141.5 | 87% | 0.869 | 77% | 0.773 | S | S | * | * | trans | 85.7 | 131.6 | 145.1 | -73.2 | 176.8 | 119.6 | 0 | 0 | 122.3 | ||||
| 677 | E | 23.1 | Very low | 27.3 | Very low | 181 Ų | 181 | 139.1 Ų | 139.1 | 85% | 0.846 | 78% | 0.776 | S | S | * | * | trans | -61.7 | -179.9 | 156.9 | -106.3 | -174.9 | 105.1 | 0 | 0 | 113.6 | ||||
| 678 | P | 35.1 | Very low | 26.5 | Very low | 95 Ų | 95 | 142.2 Ų | 142.2 | 62% | 0.617 | 78% | 0.781 | S | S | * | * | cis | -139.2 | 179.9 | 3.2 | 35.8 | -14.7 | 0 | 0 | 0 | 117.6 | ||||
| 679 | L | 23 | Very low | 26.6 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 78% | 0.775 | 78% | 0.78 | S | S | * | * | trans | 79.5 | 135.8 | 134.9 | -94.9 | 164.5 | 0 | 0 | 0 | 124.8 | ||||
| 680 | L | 24 | Very low | 25.6 | Very low | 127 Ų | 127 | 146.9 Ų | 146.9 | 67% | 0.665 | 78% | 0.784 | S | S | * | * | trans | 96.6 | 108.8 | 152.3 | -61.2 | 175.5 | 0 | 0 | 0 | 123.3 | ||||
| 681 | Q | 21.1 | Very low | 25.6 | Very low | 167 Ų | 167 | 141.9 Ų | 141.9 | 78% | 0.78 | 78% | 0.775 | S | S | * | * | 65.7 | 123.7 | 126.3 | -67.6 | 174.8 | -17 | 0 | 0 | 123.6 | |||||
| 682 | L | 22.4 | Very low | 25.7 | Very low | 162 Ų | 162 | 146.9 Ų | 146.9 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | 36.8 | 161.9 | 117.7 | -105.6 | 66.3 | 0 | 0 | 0 | 121.4 | |||||
| 683 | P | 39.3 | Very low | 25.7 | Very low | 105 Ų | 105 | 142.2 Ų | 142.2 | 68% | 0.682 | 77% | 0.769 | S | S | * | * | cis | -144.4 | -172.3 | 3.2 | 29.9 | -3.5 | 0 | 0 | 0 | 117.9 | ||||
| 684 | E | 23.4 | Very low | 25.9 | Very low | 147 Ų | 147 | 146.1 Ų | 146.1 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | trans | 102.1 | 136.4 | 139.8 | -77.4 | -126.2 | 122.8 | 0 | 0 | 124 | ||||
| 685 | K | 24.5 | Very low | 26.1 | Very low | 168 Ų | 168 | 145 Ų | 145 | 73% | 0.73 | 77% | 0.769 | S | S | * | * | trans | 71.5 | 146.1 | 158.5 | -69.2 | -179.7 | -179.4 | 78.8 | 0 | 119.7 | ||||
| 686 | S | 26.2 | Very low | 26.2 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | cis | -176.2 | 165.2 | -19.5 | 53.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 687 | S | 24.7 | Very low | 26.3 | Very low | 128 Ų | 128 | 140.5 Ų | 140.5 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | 97.4 | 149.4 | 156.9 | -153.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 688 | Q | 24.8 | Very low | 26.5 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 77% | 0.767 | S | S | * | * | trans | -148.6 | 124.8 | -155.3 | 168.8 | -166.5 | -11 | 0 | 0 | 112.1 | ||||
| 689 | K | 28.3 | Very low | 26.6 | Very low | 175 Ų | 175 | 139.8 Ų | 139.8 | 76% | 0.761 | 78% | 0.775 | S | S | * | * | trans | 179.9 | 157.3 | 157.8 | -110.9 | 158.6 | 171.9 | -92.7 | 0 | 107.8 | ||||
| 690 | E | 23.5 | Very low | 26.8 | Very low | 141 Ų | 141 | 137.3 Ų | 137.3 | 66% | 0.659 | 78% | 0.775 | S | S | * | * | cis | -143.7 | -170.4 | 13.9 | -163.2 | 124.5 | -140.1 | 0 | 0 | 112.1 | ||||
| 691 | L | 28.3 | Very low | 26.9 | Very low | 140 Ų | 140 | 140.4 Ų | 140.4 | 73% | 0.733 | 79% | 0.786 | S | S | * | * | trans | -50.2 | 167.2 | 177.7 | -69.9 | 152.5 | 0 | 0 | 0 | 114.2 | ||||
| 692 | E | 26.3 | Very low | 27.4 | Very low | 171 Ų | 171 | 136.6 Ų | 136.6 | 80% | 0.799 | 78% | 0.783 | S | S | * | * | cis | -155.2 | 161.2 | 33.1 | -162.4 | 163.4 | -140.4 | 0 | 0 | 113.6 | ||||
| 693 | A | 26.4 | Very low | 27.8 | Very low | 93 Ų | 93 | 136.9 Ų | 136.9 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -137 | 141.5 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 694 | M | 27.2 | Very low | 27.3 | Very low | 186 Ų | 186 | 139.1 Ų | 139.1 | 92% | 0.916 | 79% | 0.785 | S | S | * | * | trans | -113 | 130.8 | 171.5 | -90.1 | -73.8 | -172.7 | 0 | 0 | 109.4 | ||||
| 695 | A | 27.3 | Very low | 27.7 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 74% | 0.744 | 79% | 0.786 | S | S | * | * | trans | -140.4 | 137.9 | -170.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 696 | L | 26.2 | Very low | 27.9 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 93% | 0.927 | 79% | 0.791 | S | S | * | * | trans | -142.2 | 122.2 | 152.2 | -70.9 | 171.4 | 0 | 0 | 0 | 103.4 | ||||
| 697 | G | 27.1 | Very low | 28.2 | Very low | 66 Ų | 66 | 136.2 Ų | 136.2 | 68% | 0.68 | 79% | 0.79 | S | S | * | * | cis | 101.4 | 134.8 | 28.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 698 | T | 27.1 | Very low | 29.1 | Very low | 140 Ų | 140 | 136 Ų | 136 | 86% | 0.859 | 79% | 0.786 | S | S | * | * | cis | -174.3 | -179.5 | 6.2 | 0.3 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 699 | P | 36.6 | Very low | 29.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | cis | -127.1 | -161.9 | -16.3 | 40.2 | -22.1 | 0 | 0 | 0 | 112.2 | ||||
| 700 | A | 29 | Very low | 29.6 | Very low | 95 Ų | 95 | 131.7 Ų | 131.7 | 79% | 0.785 | 79% | 0.785 | S | S | * | * | trans | -143.5 | 156.7 | 169.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 701 | E | 26.3 | Very low | 30.9 | Very low | 192 Ų | 192 | 129.6 Ų | 129.6 | 90% | 0.897 | 79% | 0.792 | S | S | * | * | trans | -166.2 | 128.3 | 157.6 | -108.6 | 169.9 | 173 | 0 | 0 | 107 | ||||
| 702 | A | 31 | Very low | 31.1 | Very low | 87 Ų | 87 | 133 Ų | 133 | 72% | 0.719 | 80% | 0.801 | S | S | * | * | cis | 93.4 | 115 | 18.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 703 | I | 31 | Very low | 31.8 | Very low | 168 Ų | 168 | 129.5 Ų | 129.5 | 86% | 0.862 | 80% | 0.801 | S | S | * | * | trans | 168.5 | 142 | 164.8 | -95.4 | 152.6 | 0 | 0 | 0 | 106.3 | ||||
| 704 | E | 27.4 | Very low | 33 | Very low | 153 Ų | 153 | 129 Ų | 129 | 72% | 0.715 | 79% | 0.791 | S | S | * | * | cis | -162.5 | 144.8 | -22.4 | -175.9 | 171.3 | -169.9 | 0 | 0 | 108.5 | ||||
| 705 | I | 32.2 | Very low | 33.8 | Very low | 138 Ų | 138 | 123.3 Ų | 123.3 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | trans | 23.6 | 119.9 | 159.4 | -54.8 | 165.7 | 0 | 0 | 0 | 117.6 | ||||
| 706 | T | 29.5 | Very low | 34.9 | Very low | 135 Ų | 135 | 124.3 Ų | 124.3 | 83% | 0.828 | 77% | 0.767 | S | S | * | * | -166.4 | 146.2 | 87.1 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 707 | A | 31.3 | Very low | 36.3 | Very low | 86 Ų | 86 | 118.8 Ų | 118.8 | 71% | 0.711 | 75% | 0.747 | S | S | * | * | trans | -75.4 | 168.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 708 | P | 43.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 120.1 Ų | 120.1 | 81% | 0.805 | 74% | 0.738 | S | S | * | * | cis | -140.8 | 142.8 | 19.9 | 39.4 | -19.8 | 0 | 0 | 0 | 118 | ||||
| 709 | E | 30.4 | Very low | 39 | Very low | 201 Ų | 201 | 118.7 Ų | 118.7 | 94% | 0.939 | 73% | 0.725 | S | S | * | * | trans | -162.8 | 172.6 | 163.1 | -142 | 172.6 | -143.3 | 0 | 0 | 112.8 | ||||
| 710 | G | 34.2 | Very low | 39.7 | Very low | 62 Ų | 62 | 117.2 Ų | 117.2 | 64% | 0.639 | 72% | 0.717 | S | S | * | * | trans | 85.4 | 104.7 | 142.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 711 | A | 50.5 | Low | 40.8 | Very low | 97 Ų | 97 | 119.4 Ų | 119.4 | 80% | 0.802 | 71% | 0.705 | S | S | * | * | trans | -79 | 161.1 | 165.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 712 | F | 33.2 | Very low | 41.7 | Very low | 212 Ų | 212 | 116 Ų | 116 | 93% | 0.93 | 69% | 0.693 | S | S | * | * | trans | -136.1 | 130.4 | 161.1 | -77.8 | -77.1 | 0 | 0 | 0 | 112.1 | ||||
| 713 | A | 39.8 | Very low | 42.6 | Very low | 97 Ų | 97 | 115.3 Ų | 115.3 | 80% | 0.802 | 69% | 0.686 | S | S | * | * | trans | -138.4 | 143.5 | 165.2 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 714 | S | 52.3 | Low | 42.9 | Very low | 81 Ų | 81 | 113.7 Ų | 113.7 | 57% | 0.566 | 68% | 0.675 | S | S | * | * | trans | -67.8 | 149.9 | -164 | -173.5 | 0 | 0 | 0 | 0 | 114.6 | D716 A717 | S714-D716 PolarHBondContact O-N 3.46Å; S714-D716 PolarHBondContact OG-N 3.34Å; S714-A717 WeakPolarHBondContact O-CB 3.43Å; S714-A717 PolarHBondContact O-N 3.25Å; S714-A717 VanDerWaalsContact O-N 3.15Å | ||
| 715 | A | 44.9 | Very low | 43.5 | Very low | 67 Ų | 67 | 112 Ų | 112 | 55% | 0.554 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -27.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A717 L718 L719 | A715-A717 PolarHBondContact O-N 2.91Å; A715-L718 WeakPolarHBondContact O-CB 3.39Å; A715-L718 PolarHBondContact O-N 3.09Å; A715-L719 PolarHBondContact O-N 3.12Å |
| 716 | D | 48.7 | Very low | 43.6 | Very low | 111 Ų | 111 | 110.1 Ų | 110.1 | 59% | 0.594 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -54.5 | -39.8 | 173.2 | -95.2 | -19.9 | 0 | 0 | 0 | 112 | S714 L718 L719 S720 | S714-D716 PolarHBondContact O-N 3.46Å; S714-D716 PolarHBondContact OG-N 3.34Å; D716-L718 PolarHBondContact O-N 3.21Å; D716-L718 VanDerWaalsContact O-N 3.13Å; D716-L719 PolarHBondContact O-N 3.29Å; D716-L719 VanDerWaalsContact O-N 3.11Å; D716-S720 PolarHBondContact O-N 3.42Å; D716-S720 PolarHBondContact O-OG 2.9Å |
| 717 | A | 57.5 | Low | 44.4 | Very low | 61 Ų | 61 | 108.5 Ų | 108.5 | 50% | 0.504 | 68% | 0.676 | S | S | . | * | H | α-helix | trans | -69.4 | -8.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | S714 A715 | S714-A717 WeakPolarHBondContact O-CB 3.43Å; S714-A717 PolarHBondContact O-N 3.25Å; S714-A717 VanDerWaalsContact O-N 3.15Å; A715-A717 PolarHBondContact O-N 2.91Å |
| 718 | L | 53.6 | Low | 44.6 | Very low | 94 Ų | 94 | 109.7 Ų | 109.7 | 49% | 0.492 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -92.7 | -40.4 | 169.3 | -55.3 | -176.3 | 0 | 0 | 0 | 111.2 | A715 D716 R721 L722 | A715-L718 WeakPolarHBondContact O-CB 3.39Å; A715-L718 PolarHBondContact O-N 3.09Å; D716-L718 PolarHBondContact O-N 3.21Å; D716-L718 VanDerWaalsContact O-N 3.13Å; L718-R721 PolarHBondContact O-N 3.38Å; L718-L722 PolarHBondContact O-N 2.82Å |
| 719 | L | 56.3 | Low | 44.3 | Very low | 111 Ų | 111 | 108.1 Ų | 108.1 | 58% | 0.581 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -67.2 | -46.2 | 179 | -77.3 | 164.3 | 0 | 0 | 0 | 112.4 | A715 D716 R721 L722 A723 | A715-L719 PolarHBondContact O-N 3.12Å; D716-L719 PolarHBondContact O-N 3.29Å; D716-L719 VanDerWaalsContact O-N 3.11Å; L719-R721 PolarHBondContact O-N 3.13Å; L719-R721 VanDerWaalsContact O-N 3.1Å; L719-L722 PolarHBondContact O-N 3.33Å; L719-A723 PolarHBondContact O-N 2.82Å |
| 720 | S | 50.7 | Low | 44.8 | Very low | 90 Ų | 90 | 102.4 Ų | 102.4 | 63% | 0.629 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -23.2 | 174 | -52.9 | 0 | 0 | 0 | 0 | 112.9 | D716 | D716-S720 PolarHBondContact O-N 3.42Å; D716-S720 PolarHBondContact O-OG 2.9Å |
| 721 | R | 53.4 | Low | 45.1 | Very low | 140 Ų | 140 | 103.8 Ų | 103.8 | 53% | 0.528 | 66% | 0.662 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.3 | -9.1 | 177.8 | -150.5 | -177.6 | 68.9 | -120.5 | -0.3 | 113.7 | L718 L719 L728 | L718-R721 PolarHBondContact O-N 3.38Å; L719-R721 PolarHBondContact O-N 3.13Å; L719-R721 VanDerWaalsContact O-N 3.1Å; R721-L728 HydrophobicContact CG-CD1 4.4Å; R721-L728 WeakPolarHBondContact O-CD1 3.49Å |
| 722 | L | 44.4 | Very low | 44.8 | Very low | 122 Ų | 122 | 103.8 Ų | 103.8 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -26.1 | 174.9 | -73.7 | 165.8 | 0 | 0 | 0 | 112.6 | L718 L719 H724 | L718-L722 PolarHBondContact O-N 2.82Å; L719-L722 PolarHBondContact O-N 3.33Å; L722-H724 PolarHBondContact O-N 3.34Å; L722-H724 VanDerWaalsContact O-N 3.16Å |
| 723 | A | 49.5 | Very low | 45.4 | Very low | 71 Ų | 71 | 97.2 Ų | 97.2 | 59% | 0.587 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -68.3 | -9.4 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L719 | L719-A723 PolarHBondContact O-N 2.82Š|
| 724 | H | 37.3 | Very low | 46.1 | Very low | 135 Ų | 135 | 99.1 Ų | 99.1 | 63% | 0.625 | 63% | 0.627 | S | S | * | * | trans | -128 | 80.4 | 179.3 | -74.9 | -3.5 | 0 | 0 | 0 | 111.3 | L722 A726 S727 | L722-H724 PolarHBondContact O-N 3.34Å; L722-H724 VanDerWaalsContact O-N 3.16Å; H724-A726 PolarHBondContact O-N 3.16Å; H724-A726 VanDerWaalsContact O-N 3.12Å; H724-S727 PolarHBondContact O-N 2.89Å | ||
| 725 | P | 39.6 | Very low | 46.5 | Very low | 116 Ų | 116 | 98 Ų | 98 | 75% | 0.753 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -62.5 | -22.1 | -175.7 | 24.1 | -34.1 | 0 | 0 | 0 | 114 | S727 | P725-S727 VanDerWaalsContact C-N 3.26Å; P725-S727 PolarHBondContact O-N 3.47Å |
| 726 | A | 35.9 | Very low | 47.2 | Very low | 100 Ų | 100 | 100.6 Ų | 100.6 | 83% | 0.826 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -66.8 | -21.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | H724 | H724-A726 PolarHBondContact O-N 3.16Å; H724-A726 VanDerWaalsContact O-N 3.12Å |
| 727 | S | 45.2 | Very low | 47.6 | Very low | 100 Ų | 100 | 100.5 Ų | 100.5 | 70% | 0.699 | 62% | 0.621 | S | S | * | * | G | 310 helix | trans | -95.4 | -4.9 | -171.7 | -168.5 | 0 | 0 | 0 | 0 | 115 | H724 P725 | H724-S727 PolarHBondContact O-N 2.89Å; P725-S727 VanDerWaalsContact C-N 3.26Å; P725-S727 PolarHBondContact O-N 3.47Å |
| 728 | L | 36.6 | Very low | 47.6 | Very low | 111 Ų | 111 | 101.4 Ų | 101.4 | 58% | 0.581 | 62% | 0.617 | S | S | * | * | S | Bend | trans | -102 | 2.2 | -175.5 | -117.8 | 166.6 | 0 | 0 | 0 | 114.3 | R721 G730 | R721-L728 HydrophobicContact CG-CD1 4.4Å; R721-L728 WeakPolarHBondContact O-CD1 3.49Å; L728-G730 PolarHBondContact O-N 3.48Å |
| 729 | C | 37.3 | Very low | 48 | Very low | 92 Ų | 92 | 99.1 Ų | 99.1 | 62% | 0.622 | 61% | 0.605 | S | S | * | * | trans | -89 | 41.5 | 170.2 | -159.7 | 0 | 0 | 0 | 0 | 112.5 | A731 | C729-A731 PolarHBondContact O-N 2.95Š| ||
| 730 | G | 39.4 | Very low | 48.4 | Very low | 80 Ų | 80 | 95.6 Ų | 95.6 | 83% | 0.825 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 44.4 | -174.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L728 | L728-G730 PolarHBondContact O-N 3.48Š|
| 731 | A | 41.7 | Very low | 49.4 | Very low | 92 Ų | 92 | 98.9 Ų | 98.9 | 76% | 0.76 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -160.8 | -11.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 116 | C729 | C729-A731 PolarHBondContact O-N 2.95Š|
| 732 | L | 42.6 | Very low | 50.5 | Low | 96 Ų | 96 | 98.7 Ų | 98.7 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | trans | -131.8 | 34.9 | -174.9 | -75.4 | 178.1 | 0 | 0 | 0 | 114.7 | Y734 | L732-Y734 PolarHBondContact O-N 2.75Š| ||
| 733 | G | 45.7 | Very low | 52 | Low | 74 Ų | 74 | 96.1 Ų | 96.1 | 76% | 0.763 | 59% | 0.587 | S | S | * | * | trans | -73.6 | 55.9 | 161.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 734 | Y | 56.5 | Low | 53.4 | Low | 138 Ų | 138 | 96.5 Ų | 96.5 | 54% | 0.541 | 58% | 0.584 | S | S | . | * | trans | -123.9 | 6 | -163.8 | -129.7 | -116.7 | 0 | 0 | 0 | 117.6 | L732 K750 | L732-Y734 PolarHBondContact O-N 2.75Å; Y734-K750 HydrophobicContact CD1-CD 4.46Å; Y734-K750 HydrophobicContact CD1-CG 4.47Å; Y734-K750 WeakPolarHBondContact O-CD 3.31Å; Y734-K750 WeakPolarHBondContact O-CE 3.41Å; Y734-K750 PolarHBondContact O-NZ 3.27Å; Y734-K750 VanDerWaalsContact O-NZ 3.15Å | ||
| 735 | L | 58.9 | Low | 55.5 | Low | 57 Ų | 57 | 94.4 Ų | 94.4 | 30% | 0.298 | 58% | 0.582 | S | S | . | * | S | Bend | trans | -138.5 | 88.6 | 158.9 | -88.8 | 155 | 0 | 0 | 0 | 107.8 | F747 K750 L751 E754 | L735-F747 HydrophobicContact CB-CE2 4.42Å; L735-F747 HydrophobicContact CD2-CD2 3.69Å; L735-F747 HydrophobicContact CD2-CE2 3.5Å; L735-F747 VanDerWaalsContact CD2-CE2 3.5Å; L735-F747 HydrophobicContact CD2-CG 4.35Å; L735-F747 HydrophobicContact CD2-CZ 4.01Å; L735-K750 HydrophobicContact CD2-CB 4.16Å; L735-K750 HydrophobicContact CD2-CG 4.44Å; L735-L751 HydrophobicContact CD1-CB 4.47Å; L735-L751 HydrophobicContact CD1-CD1 3.68Å; L735-L751 HydrophobicContact CD2-CB 4.12Å; L735-L751 HydrophobicContact CD2-CD1 4.49Å; L735-E754 HydrophobicContact CD1-CB 4.32Å |
| 736 | E | 60.1 | Low | 57.4 | Low | 122 Ų | 122 | 91.8 Ų | 91.8 | 57% | 0.57 | 56% | 0.564 | S | S | * | * | trans | -75.1 | 128.1 | 179.4 | -177.4 | 166.2 | -136.4 | 0 | 0 | 109.9 | D738 L739 | E736-D738 VanDerWaalsContact C-N 3.29Å; E736-D738 HydrophobicContact CG-CB 4.25Å; E736-D738 PolarHBondContact O-N 3.44Å; E736-L739 VanDerWaalsContact O-CB 3.27Å; E736-L739 WeakPolarHBondContact O-CB 3.43Å; E736-L739 PolarHBondContact O-N 2.89Å | ||
| 737 | P | 57.3 | Low | 59.8 | Low | 109 Ų | 109 | 89.6 Ų | 89.6 | 71% | 0.708 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60 | -35.9 | -176.6 | -27 | 35.8 | 0 | 0 | 0 | 113.9 | L739 A740 | P737-L739 PolarHBondContact O-N 3.45Å; P737-A740 VanDerWaalsContact O-CB 3.3Å; P737-A740 WeakPolarHBondContact O-CB 3.35Å; P737-A740 PolarHBondContact O-N 2.95Å |
| 738 | D | 57.3 | Low | 61.7 | Low | 79 Ų | 79 | 87.2 Ų | 87.2 | 42% | 0.422 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.1 | -33.9 | 177.2 | -162 | 54.8 | 0 | 0 | 0 | 111.1 | E736 A740 E741 K742 | E736-D738 VanDerWaalsContact C-N 3.29Å; E736-D738 HydrophobicContact CG-CB 4.25Å; E736-D738 PolarHBondContact O-N 3.44Å; D738-A740 PolarHBondContact O-N 3.47Å; D738-E741 PolarHBondContact O-N 2.96Å; D738-E741 VanDerWaalsContact O-N 3.07Å; D738-K742 VanDerWaalsContact O-CG 3.29Å; D738-K742 WeakPolarHBondContact O-CG 3.45Å; D738-K742 PolarHBondContact O-N 3.25Å; D738-K742 WeakPolarHBondContact OD1-CE 3.46Å; D738-K742 IonicContact OD1-NZ 2.66Å; D738-K742 WeakPolarHBondContact OD2-CE 3.48Å; D738-K742 WeakPolarHBondContact OD2-CG 3.38Å |
| 739 | L | 63 | Low | 64 | Low | 47 Ų | 47 | 88.7 Ų | 88.7 | 25% | 0.246 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -63.7 | -26.9 | 177.7 | -139.3 | 77.1 | 0 | 0 | 0 | 113.2 | E736 P737 E741 N743 V746 F747 K750 | E736-L739 VanDerWaalsContact O-CB 3.27Å; E736-L739 WeakPolarHBondContact O-CB 3.43Å; E736-L739 PolarHBondContact O-N 2.89Å; P737-L739 PolarHBondContact O-N 3.45Å; L739-E741 VanDerWaalsContact C-N 3.35Å; L739-N743 CarbonylContact O-C 3.56Å; L739-N743 WeakPolarHBondContact O-CA 3.39Å; L739-N743 PolarHBondContact O-N 3Å; L739-N743 VanDerWaalsContact O-O 3.11Å; L739-V746 HydrophobicContact CD2-CG1 4.08Å; L739-F747 HydrophobicContact CB-CD2 4.41Å; L739-K750 HydrophobicContact CD2-CD 4.46Å |
| 740 | A | 64.7 | Low | 66.2 | Low | 37 Ų | 37 | 86.3 Ų | 86.3 | 31% | 0.306 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -32.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | P737 D738 P744 F747 | P737-A740 VanDerWaalsContact O-CB 3.3Å; P737-A740 WeakPolarHBondContact O-CB 3.35Å; P737-A740 PolarHBondContact O-N 2.95Å; D738-A740 PolarHBondContact O-N 3.47Å; A740-P744 WeakPolarHBondContact O-CG 3.39Å; A740-F747 HydrophobicContact CB-CB 4.4Å; A740-F747 HydrophobicContact CB-CD1 3.92Å; A740-F747 HydrophobicContact CB-CD2 3.66Å; A740-F747 HydrophobicContact CB-CE1 4.06Å; A740-F747 HydrophobicContact CB-CE2 3.79Å; A740-F747 HydrophobicContact CB-CG 3.73Å; A740-F747 HydrophobicContact CB-CZ 3.99Å |
| 741 | E | 71.1 | Confident | 68.4 | Low | 158 Ų | 158 | 86.7 Ų | 86.7 | 74% | 0.738 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -86.5 | -41.7 | 178.9 | -166.4 | 179 | 142.5 | 0 | 0 | 111.5 | D738 L739 | D738-E741 PolarHBondContact O-N 2.96Å; D738-E741 VanDerWaalsContact O-N 3.07Å; L739-E741 VanDerWaalsContact C-N 3.35Å |
| 742 | K | 76.4 | Confident | 70.5 | Confident | 136 Ų | 136 | 88.1 Ų | 88.1 | 59% | 0.591 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77.5 | -31.4 | -179.8 | -51.6 | -63.4 | 172.3 | -171.5 | 0 | 113.6 | D738 | D738-K742 VanDerWaalsContact O-CG 3.29Å; D738-K742 WeakPolarHBondContact O-CG 3.45Å; D738-K742 PolarHBondContact O-N 3.25Å; D738-K742 WeakPolarHBondContact OD1-CE 3.46Å; D738-K742 IonicContact OD1-NZ 2.66Å; D738-K742 WeakPolarHBondContact OD2-CE 3.48Å; D738-K742 WeakPolarHBondContact OD2-CG 3.38Å |
| 743 | N | 76.9 | Confident | 72.7 | Confident | 68 Ų | 68 | 88.3 Ų | 88.3 | 36% | 0.364 | 48% | 0.477 | S | S | . | . | trans | -154.5 | 77.7 | -176.5 | -160.2 | -43.9 | 0 | 0 | 0 | 113.5 | L739 P745 V746 F747 | L739-N743 CarbonylContact O-C 3.56Å; L739-N743 WeakPolarHBondContact O-CA 3.39Å; L739-N743 PolarHBondContact O-N 3Å; L739-N743 VanDerWaalsContact O-O 3.11Å; N743-P745 WeakPolarHBondContact OD1-CD 3.46Å; N743-P745 WeakPolarHBondContact OD1-CG 3.41Å; N743-V746 HydrophobicContact CB-CB 4.3Å; N743-V746 PolarHBondContact O-N 3.31Å; N743-V746 WeakPolarHBondContact OD1-CB 3.49Å; N743-V746 VanDerWaalsContact OD1-CG2 3.28Å; N743-V746 WeakPolarHBondContact OD1-CG2 3.27Å; N743-V746 PolarHBondContact OD1-N 3.24Å; N743-F747 PolarHBondContact O-N 3.17Å | ||
| 744 | P | 78.1 | Confident | 74.6 | Confident | 79 Ų | 79 | 86.9 Ų | 86.9 | 51% | 0.513 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -50 | -44.6 | -178.8 | -25.9 | 31.9 | 0 | 0 | 0 | 116.5 | A740 F747 A748 | A740-P744 WeakPolarHBondContact O-CG 3.39Å; P744-F747 PolarHBondContact O-N 3.03Å; P744-A748 WeakPolarHBondContact O-CB 3.43Å; P744-A748 PolarHBondContact O-N 2.95Å |
| 745 | P | 80.9 | Confident | 76.1 | Confident | 91 Ų | 91 | 85.6 Ų | 85.6 | 59% | 0.591 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -71.2 | -32.9 | -178.1 | 26.5 | -33.5 | 0 | 0 | 0 | 113.3 | N743 A748 Q749 | N743-P745 WeakPolarHBondContact OD1-CD 3.46Å; N743-P745 WeakPolarHBondContact OD1-CG 3.41Å; P745-A748 PolarHBondContact O-N 3.31Å; P745-Q749 WeakPolarHBondContact O-CB 3.47Å; P745-Q749 PolarHBondContact O-N 2.97Å |
| 746 | V | 79.1 | Confident | 77.5 | Confident | 62 Ų | 62 | 88.6 Ų | 88.6 | 38% | 0.376 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -70.8 | -39.1 | 174.1 | 173.6 | 0 | 0 | 0 | 0 | 110.7 | L739 N743 Q749 K750 | L739-V746 HydrophobicContact CD2-CG1 4.08Å; N743-V746 HydrophobicContact CB-CB 4.3Å; N743-V746 PolarHBondContact O-N 3.31Å; N743-V746 WeakPolarHBondContact OD1-CB 3.49Å; N743-V746 VanDerWaalsContact OD1-CG2 3.28Å; N743-V746 WeakPolarHBondContact OD1-CG2 3.27Å; N743-V746 PolarHBondContact OD1-N 3.24Å; V746-Q749 PolarHBondContact O-N 3.02Å; V746-K750 WeakPolarHBondContact O-CB 3.39Å; V746-K750 PolarHBondContact O-N 3.29Å |
| 747 | F | 87.7 | Confident | 78.8 | Confident | 53 Ų | 53 | 87.2 Ų | 87.2 | 23% | 0.232 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60 | -46 | 171.3 | 178.2 | -92 | 0 | 0 | 0 | 111.7 | L735 L739 A740 N743 P744 Q749 K750 L751 | L735-F747 HydrophobicContact CB-CE2 4.42Å; L735-F747 HydrophobicContact CD2-CD2 3.69Å; L735-F747 HydrophobicContact CD2-CE2 3.5Å; L735-F747 VanDerWaalsContact CD2-CE2 3.5Å; L735-F747 HydrophobicContact CD2-CG 4.35Å; L735-F747 HydrophobicContact CD2-CZ 4.01Å; L739-F747 HydrophobicContact CB-CD2 4.41Å; A740-F747 HydrophobicContact CB-CB 4.4Å; A740-F747 HydrophobicContact CB-CD1 3.92Å; A740-F747 HydrophobicContact CB-CD2 3.66Å; A740-F747 HydrophobicContact CB-CE1 4.06Å; A740-F747 HydrophobicContact CB-CE2 3.79Å; A740-F747 HydrophobicContact CB-CG 3.73Å; A740-F747 HydrophobicContact CB-CZ 3.99Å; N743-F747 PolarHBondContact O-N 3.17Å; P744-F747 PolarHBondContact O-N 3.03Å; F747-Q749 PolarHBondContact O-N 3.33Å; F747-K750 PolarHBondContact O-N 3.38Å; F747-L751 HydrophobicContact CE1-CD2 4.29Å; F747-L751 WeakPolarHBondContact O-CB 3.21Å; F747-L751 PolarHBondContact O-N 2.91Å |
| 748 | A | 83.6 | Confident | 80.2 | Confident | 51 Ų | 51 | 83.5 Ų | 83.5 | 42% | 0.421 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -42 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P744 P745 L751 Q752 | P744-A748 WeakPolarHBondContact O-CB 3.43Å; P744-A748 PolarHBondContact O-N 2.95Å; P745-A748 PolarHBondContact O-N 3.31Å; A748-L751 PolarHBondContact O-N 3.41Å; A748-Q752 WeakPolarHBondContact O-CB 3.48Å; A748-Q752 PolarHBondContact O-N 3.37Å |
| 749 | Q | 85.8 | Confident | 81.8 | Confident | 142 Ų | 142 | 83.4 Ų | 83.4 | 66% | 0.664 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -62.8 | -41.9 | 174.9 | -174.6 | 177 | 6.8 | 0 | 0 | 111.9 | P745 V746 F747 L751 Q752 E753 | P745-Q749 WeakPolarHBondContact O-CB 3.47Å; P745-Q749 PolarHBondContact O-N 2.97Å; V746-Q749 PolarHBondContact O-N 3.02Å; F747-Q749 PolarHBondContact O-N 3.33Å; Q749-L751 VanDerWaalsContact C-N 3.34Å; Q749-Q752 WeakPolarHBondContact O-CB 3.27Å; Q749-Q752 PolarHBondContact O-N 3.45Å; Q749-E753 PolarHBondContact O-N 2.81Å |
| 750 | K | 82.9 | Confident | 83.1 | Confident | 42 Ų | 42 | 86.1 Ų | 86.1 | 18% | 0.183 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -69.2 | -33.1 | 178.7 | -156.6 | 172.9 | -167.6 | -166.1 | 0 | 112.5 | Y734 L735 L739 V746 F747 E753 E754 | Y734-K750 HydrophobicContact CD1-CD 4.46Å; Y734-K750 HydrophobicContact CD1-CG 4.47Å; Y734-K750 WeakPolarHBondContact O-CD 3.31Å; Y734-K750 WeakPolarHBondContact O-CE 3.41Å; Y734-K750 PolarHBondContact O-NZ 3.27Å; Y734-K750 VanDerWaalsContact O-NZ 3.15Å; L735-K750 HydrophobicContact CD2-CB 4.16Å; L735-K750 HydrophobicContact CD2-CG 4.44Å; L739-K750 HydrophobicContact CD2-CD 4.46Å; V746-K750 WeakPolarHBondContact O-CB 3.39Å; V746-K750 PolarHBondContact O-N 3.29Å; F747-K750 PolarHBondContact O-N 3.38Å; K750-E753 PolarHBondContact O-N 2.87Å; K750-E754 PolarHBondContact O-N 3.47Å |
| 751 | L | 85.4 | Confident | 84.3 | Confident | 88 Ų | 88 | 89.7 Ų | 89.7 | 46% | 0.461 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68.5 | -39.4 | 172.6 | -174.5 | 66.9 | 0 | 0 | 0 | 111.8 | L735 F747 A748 Q749 L755 | L735-L751 HydrophobicContact CD1-CB 4.47Å; L735-L751 HydrophobicContact CD1-CD1 3.68Å; L735-L751 HydrophobicContact CD2-CB 4.12Å; L735-L751 HydrophobicContact CD2-CD1 4.49Å; F747-L751 HydrophobicContact CE1-CD2 4.29Å; F747-L751 WeakPolarHBondContact O-CB 3.21Å; F747-L751 PolarHBondContact O-N 2.91Å; A748-L751 PolarHBondContact O-N 3.41Å; Q749-L751 VanDerWaalsContact C-N 3.34Å; L751-L755 VanDerWaalsContact O-CB 3.27Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 PolarHBondContact O-N 3.46Å |
| 752 | Q | 87.6 | Confident | 85.2 | Confident | 121 Ų | 121 | 86.3 Ų | 86.3 | 57% | 0.565 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -61 | -46.1 | 172.9 | -168.8 | 81.4 | 20.2 | 0 | 0 | 111.1 | A748 Q749 L755 E756 | A748-Q752 WeakPolarHBondContact O-CB 3.48Å; A748-Q752 PolarHBondContact O-N 3.37Å; Q749-Q752 WeakPolarHBondContact O-CB 3.27Å; Q749-Q752 PolarHBondContact O-N 3.45Å; Q752-L755 WeakPolarHBondContact O-CB 3.5Å; Q752-L755 PolarHBondContact O-N 3.31Å; Q752-E756 PolarHBondContact O-N 2.93Å |
| 753 | E | 87.2 | Confident | 85.8 | Confident | 100 Ų | 100 | 85.4 Ų | 85.4 | 47% | 0.467 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -65 | -47.9 | -179.7 | -174.4 | 173 | -150 | 0 | 0 | 112.4 | Q749 K750 L755 E756 F757 | Q749-E753 PolarHBondContact O-N 2.81Å; K750-E753 PolarHBondContact O-N 2.87Å; E753-L755 PolarHBondContact O-N 3.5Å; E753-E756 PolarHBondContact O-N 2.88Å; E753-F757 HydrophobicContact CG-CD2 4.02Å; E753-F757 HydrophobicContact CG-CE2 3.83Å; E753-F757 VanDerWaalsContact O-CD2 3.3Å; E753-F757 WeakPolarHBondContact O-CD2 3.16Å; E753-F757 PolarHBondContact O-N 2.87Å |
| 754 | E | 85.8 | Confident | 86.4 | Confident | 45 Ų | 45 | 85 Ų | 85 | 21% | 0.21 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.9 | -26.5 | 176.4 | -175.1 | 61 | -166.7 | 0 | 0 | 112.1 | L735 K750 F757 A758 R761 | L735-E754 HydrophobicContact CD1-CB 4.32Å; K750-E754 PolarHBondContact O-N 3.47Å; E754-F757 PolarHBondContact O-N 3.38Å; E754-A758 WeakPolarHBondContact O-CB 3.34Å; E754-A758 PolarHBondContact O-N 2.97Å; E754-R761 IonicContact OE1-CZ 3.16Å; E754-R761 VanDerWaalsContact OE1-CZ 3.26Å; E754-R761 IonicContact OE1-NH1 2.83Å; E754-R761 PolarHBondContact OE1-NH1 2.98Å; E754-R761 IonicContact OE1-NH2 2.97Å; E754-R761 PolarHBondContact OE1-NH2 2.99Å; E754-R761 IonicContact OE2-NH2 3.24Å; E754-R761 PolarHBondContact OE2-NH2 2.94Å |
| 755 | L | 87.4 | Confident | 86.8 | Confident | 110 Ų | 110 | 87 Ų | 87 | 58% | 0.576 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -70 | -38.9 | 171.9 | -169.2 | 67.9 | 0 | 0 | 0 | 112 | L751 Q752 E753 A758 V759 | L751-L755 VanDerWaalsContact O-CB 3.27Å; L751-L755 WeakPolarHBondContact O-CB 3.31Å; L751-L755 PolarHBondContact O-N 3.46Å; Q752-L755 WeakPolarHBondContact O-CB 3.5Å; Q752-L755 PolarHBondContact O-N 3.31Å; E753-L755 PolarHBondContact O-N 3.5Å; L755-A758 PolarHBondContact O-N 3.35Å; L755-V759 WeakPolarHBondContact O-CG2 3.47Å; L755-V759 PolarHBondContact O-N 2.97Å |
| 756 | E | 89.3 | Confident | 87.2 | Confident | 121 Ų | 121 | 88.4 Ų | 88.4 | 57% | 0.565 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | 171.1 | -71.6 | -170.3 | 169.7 | 0 | 0 | 111.6 | Q752 E753 A758 V759 M760 | Q752-E756 PolarHBondContact O-N 2.93Å; E753-E756 PolarHBondContact O-N 2.88Å; E756-A758 VanDerWaalsContact C-N 3.33Å; E756-A758 PolarHBondContact O-N 3.22Å; E756-V759 PolarHBondContact O-N 3.12Å; E756-M760 PolarHBondContact O-N 2.94Å |
| 757 | F | 88.4 | Confident | 87.7 | Confident | 93 Ų | 93 | 90 Ų | 90 | 41% | 0.408 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.4 | -37.6 | 171.1 | -81.4 | -68.3 | 0 | 0 | 0 | 112.6 | E753 E754 M760 R761 | E753-F757 HydrophobicContact CG-CD2 4.02Å; E753-F757 HydrophobicContact CG-CE2 3.83Å; E753-F757 VanDerWaalsContact O-CD2 3.3Å; E753-F757 WeakPolarHBondContact O-CD2 3.16Å; E753-F757 PolarHBondContact O-N 2.87Å; E754-F757 PolarHBondContact O-N 3.38Å; F757-M760 HydrophobicContact CD1-CE 3.56Å; F757-M760 HydrophobicContact CE1-CE 3.74Å; F757-M760 HydrophobicContact CG-CE 4.16Å; F757-M760 HydrophobicContact CZ-CE 4.46Å; F757-M760 PolarHBondContact O-N 2.96Å; F757-R761 WeakPolarHBondContact O-CB 3.48Å; F757-R761 VanDerWaalsContact O-CG 3.23Å; F757-R761 WeakPolarHBondContact O-CG 3.4Å; F757-R761 PolarHBondContact O-N 3.46Å |
| 758 | A | 86.8 | Confident | 87.7 | Confident | 31 Ų | 31 | 90.1 Ų | 90.1 | 26% | 0.256 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -41.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E754 L755 E756 R761 I762 | E754-A758 WeakPolarHBondContact O-CB 3.34Å; E754-A758 PolarHBondContact O-N 2.97Å; L755-A758 PolarHBondContact O-N 3.35Å; E756-A758 VanDerWaalsContact C-N 3.33Å; E756-A758 PolarHBondContact O-N 3.22Å; A758-R761 PolarHBondContact O-N 3.33Å; A758-I762 WeakPolarHBondContact O-CB 3.28Å; A758-I762 WeakPolarHBondContact O-CD1 3.3Å; A758-I762 VanDerWaalsContact O-CG1 3.26Å; A758-I762 WeakPolarHBondContact O-CG1 3.48Å; A758-I762 PolarHBondContact O-N 3.25Å |
| 759 | V | 89.8 | Confident | 87.8 | Confident | 77 Ų | 77 | 96.4 Ų | 96.4 | 47% | 0.467 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -60.4 | -48.7 | 172.7 | 170.7 | 0 | 0 | 0 | 0 | 110.6 | L755 E756 R761 I762 E763 | L755-V759 WeakPolarHBondContact O-CG2 3.47Å; L755-V759 PolarHBondContact O-N 2.97Å; E756-V759 PolarHBondContact O-N 3.12Å; V759-R761 PolarHBondContact O-N 2.88Å; V759-I762 WeakPolarHBondContact O-CB 3.38Å; V759-I762 PolarHBondContact O-N 3.33Å; V759-I762 VanDerWaalsContact O-N 3.12Å; V759-E763 WeakPolarHBondContact O-CG 3.48Å; V759-E763 PolarHBondContact O-N 2.85Å |
| 760 | M | 89.9 | Confident | 87.9 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 51% | 0.507 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 176.9 | -73.7 | -167.5 | -75.5 | 0 | 0 | 112.9 | E756 F757 I762 E763 A764 | E756-M760 PolarHBondContact O-N 2.94Å; F757-M760 HydrophobicContact CD1-CE 3.56Å; F757-M760 HydrophobicContact CE1-CE 3.74Å; F757-M760 HydrophobicContact CG-CE 4.16Å; F757-M760 HydrophobicContact CZ-CE 4.46Å; F757-M760 PolarHBondContact O-N 2.96Å; M760-I762 VanDerWaalsContact C-N 3.35Å; M760-I762 PolarHBondContact O-N 3.06Å; M760-E763 PolarHBondContact O-N 2.95Å; M760-A764 WeakPolarHBondContact O-CB 3.41Å; M760-A764 PolarHBondContact O-N 3Å |
| 761 | R | 89.5 | Confident | 88 | Confident | 112 Ų | 112 | 98.9 Ų | 98.9 | 42% | 0.423 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 173.6 | -71.5 | 170.8 | -163.1 | 153.4 | 11.5 | 111.3 | E754 F757 A758 V759 A764 L765 | E754-R761 IonicContact OE1-CZ 3.16Å; E754-R761 VanDerWaalsContact OE1-CZ 3.26Å; E754-R761 IonicContact OE1-NH1 2.83Å; E754-R761 PolarHBondContact OE1-NH1 2.98Å; E754-R761 IonicContact OE1-NH2 2.97Å; E754-R761 PolarHBondContact OE1-NH2 2.99Å; E754-R761 IonicContact OE2-NH2 3.24Å; E754-R761 PolarHBondContact OE2-NH2 2.94Å; F757-R761 WeakPolarHBondContact O-CB 3.48Å; F757-R761 VanDerWaalsContact O-CG 3.23Å; F757-R761 WeakPolarHBondContact O-CG 3.4Å; F757-R761 PolarHBondContact O-N 3.46Å; A758-R761 PolarHBondContact O-N 3.33Å; V759-R761 PolarHBondContact O-N 2.88Å; R761-A764 PolarHBondContact O-N 3.5Å; R761-L765 WeakPolarHBondContact O-CB 3.5Å; R761-L765 VanDerWaalsContact O-CG 3.3Å; R761-L765 WeakPolarHBondContact O-CG 3.23Å; R761-L765 PolarHBondContact O-N 2.8Å |
| 762 | I | 90.1 | Very high | 87.7 | Confident | 87 Ų | 87 | 97.3 Ų | 97.3 | 45% | 0.446 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 176 | -71.7 | 164.7 | 0 | 0 | 0 | 111.4 | A758 V759 M760 L765 K766 | A758-I762 WeakPolarHBondContact O-CB 3.28Å; A758-I762 WeakPolarHBondContact O-CD1 3.3Å; A758-I762 VanDerWaalsContact O-CG1 3.26Å; A758-I762 WeakPolarHBondContact O-CG1 3.48Å; A758-I762 PolarHBondContact O-N 3.25Å; V759-I762 WeakPolarHBondContact O-CB 3.38Å; V759-I762 PolarHBondContact O-N 3.33Å; V759-I762 VanDerWaalsContact O-N 3.12Å; M760-I762 VanDerWaalsContact C-N 3.35Å; M760-I762 PolarHBondContact O-N 3.06Å; I762-L765 PolarHBondContact O-N 3.16Å; I762-K766 HydrophobicContact CG2-CD 4.29Å; I762-K766 VanDerWaalsContact O-CG 3.29Å; I762-K766 WeakPolarHBondContact O-CG 3.45Å; I762-K766 PolarHBondContact O-N 3.15Å |
| 763 | E | 90.8 | Very high | 87.3 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 55% | 0.551 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -70.3 | -40 | 175.4 | -65.7 | -156.2 | 147.7 | 0 | 0 | 112.9 | V759 M760 L765 K766 L767 | V759-E763 WeakPolarHBondContact O-CG 3.48Å; V759-E763 PolarHBondContact O-N 2.85Å; M760-E763 PolarHBondContact O-N 2.95Å; E763-L765 VanDerWaalsContact C-N 3.31Å; E763-L765 PolarHBondContact O-N 3.37Å; E763-K766 WeakPolarHBondContact O-CB 3.3Å; E763-K766 PolarHBondContact O-N 3.38Å; E763-L767 WeakPolarHBondContact O-CB 3.47Å; E763-L767 PolarHBondContact O-N 2.95Å |
| 764 | A | 88.6 | Confident | 86.8 | Confident | 58 Ų | 58 | 94.6 Ų | 94.6 | 48% | 0.479 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | M760 R761 L767 A768 | M760-A764 WeakPolarHBondContact O-CB 3.41Å; M760-A764 PolarHBondContact O-N 3Å; R761-A764 PolarHBondContact O-N 3.5Å; A764-L767 PolarHBondContact O-N 2.91Å; A764-A768 VanDerWaalsContact O-CB 3.32Å; A764-A768 WeakPolarHBondContact O-CB 3.47Å; A764-A768 PolarHBondContact O-N 3.16Å |
| 765 | L | 86 | Confident | 85.9 | Confident | 123 Ų | 123 | 95.5 Ų | 95.5 | 64% | 0.644 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.5 | -39.7 | 174.4 | -74.1 | 166.2 | 0 | 0 | 0 | 112.6 | R761 I762 E763 R769 | R761-L765 WeakPolarHBondContact O-CB 3.5Å; R761-L765 VanDerWaalsContact O-CG 3.3Å; R761-L765 WeakPolarHBondContact O-CG 3.23Å; R761-L765 PolarHBondContact O-N 2.8Å; I762-L765 PolarHBondContact O-N 3.16Å; E763-L765 VanDerWaalsContact C-N 3.31Å; E763-L765 PolarHBondContact O-N 3.37Å; L765-R769 WeakPolarHBondContact O-CB 3.26Å; L765-R769 PolarHBondContact O-N 2.64Å |
| 766 | K | 89.3 | Confident | 84.8 | Confident | 119 Ų | 119 | 98.6 Ų | 98.6 | 52% | 0.517 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.3 | -44.6 | 172.5 | -72.9 | 165.4 | -175.2 | 166.1 | 0 | 111.1 | I762 E763 R769 Q770 | I762-K766 HydrophobicContact CG2-CD 4.29Å; I762-K766 VanDerWaalsContact O-CG 3.29Å; I762-K766 WeakPolarHBondContact O-CG 3.45Å; I762-K766 PolarHBondContact O-N 3.15Å; E763-K766 WeakPolarHBondContact O-CB 3.3Å; E763-K766 PolarHBondContact O-N 3.38Å; K766-R769 PolarHBondContact O-N 3.29Å; K766-Q770 WeakPolarHBondContact O-CG 3.47Å; K766-Q770 PolarHBondContact O-N 3.45Å |
| 767 | L | 90.4 | Very high | 83.2 | Confident | 97 Ų | 97 | 96.6 Ų | 96.6 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.4 | -44.6 | 178.7 | -176.7 | 62.5 | 0 | 0 | 0 | 111.6 | E763 A764 R769 Q770 I771 | E763-L767 WeakPolarHBondContact O-CB 3.47Å; E763-L767 PolarHBondContact O-N 2.95Å; A764-L767 PolarHBondContact O-N 2.91Å; L767-R769 VanDerWaalsContact C-N 3.29Å; L767-R769 PolarHBondContact O-N 3.05Å; L767-Q770 WeakPolarHBondContact O-CB 3.48Å; L767-Q770 PolarHBondContact O-N 3.03Å; L767-Q770 VanDerWaalsContact O-N 3.12Å; L767-I771 HydrophobicContact CD1-CD1 4.45Å; L767-I771 HydrophobicContact CG-CD1 4.06Å; L767-I771 WeakPolarHBondContact O-CG1 3.29Å; L767-I771 PolarHBondContact O-N 3.03Å |
| 768 | A | 86.4 | Confident | 81.5 | Confident | 54 Ų | 54 | 102.1 Ų | 102.1 | 45% | 0.446 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -58.4 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A764 I771 A772 | A764-A768 VanDerWaalsContact O-CB 3.32Å; A764-A768 WeakPolarHBondContact O-CB 3.47Å; A764-A768 PolarHBondContact O-N 3.16Å; A768-I771 PolarHBondContact O-N 3.4Å; A768-A772 WeakPolarHBondContact O-CB 3.39Å; A768-A772 PolarHBondContact O-N 2.96Å |
| 769 | R | 87.2 | Confident | 79.7 | Confident | 184 Ų | 184 | 106.5 Ų | 106.5 | 69% | 0.694 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -65 | -39.2 | 174.1 | -169.4 | 177.5 | -175.2 | -127.5 | 2.3 | 112.4 | L765 K766 L767 A772 L773 | L765-R769 WeakPolarHBondContact O-CB 3.26Å; L765-R769 PolarHBondContact O-N 2.64Å; K766-R769 PolarHBondContact O-N 3.29Å; L767-R769 VanDerWaalsContact C-N 3.29Å; L767-R769 PolarHBondContact O-N 3.05Å; R769-A772 PolarHBondContact O-N 2.87Å; R769-L773 HydrophobicContact CG-CD1 4.39Å; R769-L773 VanDerWaalsContact O-CG 3.3Å; R769-L773 WeakPolarHBondContact O-CG 3.42Å; R769-L773 PolarHBondContact O-N 3.04Å |
| 770 | Q | 87.8 | Confident | 77.6 | Confident | 129 Ų | 129 | 108.1 Ų | 108.1 | 60% | 0.603 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 173.3 | -72.3 | 179 | 8.3 | 0 | 0 | 111.8 | K766 L767 A772 L773 A774 | K766-Q770 WeakPolarHBondContact O-CG 3.47Å; K766-Q770 PolarHBondContact O-N 3.45Å; L767-Q770 WeakPolarHBondContact O-CB 3.48Å; L767-Q770 PolarHBondContact O-N 3.03Å; L767-Q770 VanDerWaalsContact O-N 3.12Å; Q770-A772 VanDerWaalsContact C-N 3.35Å; Q770-A772 PolarHBondContact O-N 3.36Å; Q770-L773 PolarHBondContact O-N 2.89Å; Q770-A774 WeakPolarHBondContact O-CB 3.3Å; Q770-A774 PolarHBondContact O-N 3.5Å |
| 771 | I | 85.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 108.9 Ų | 108.9 | 54% | 0.544 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62 | -41.9 | 176.2 | -67.9 | 165.9 | 0 | 0 | 0 | 111 | L767 A768 A774 S775 | L767-I771 HydrophobicContact CD1-CD1 4.45Å; L767-I771 HydrophobicContact CG-CD1 4.06Å; L767-I771 WeakPolarHBondContact O-CG1 3.29Å; L767-I771 PolarHBondContact O-N 3.03Å; A768-I771 PolarHBondContact O-N 3.4Å; I771-A774 PolarHBondContact O-N 3.05Å; I771-S775 WeakPolarHBondContact O-CB 3.32Å; I771-S775 PolarHBondContact O-N 3.42Å; I771-S775 PolarHBondContact O-OG 3.22Å |
| 772 | A | 78.2 | Confident | 73.3 | Confident | 56 Ų | 56 | 112.4 Ų | 112.4 | 46% | 0.463 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.8 | -34.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | A768 R769 Q770 S775 R776 | A768-A772 WeakPolarHBondContact O-CB 3.39Å; A768-A772 PolarHBondContact O-N 2.96Å; R769-A772 PolarHBondContact O-N 2.87Å; Q770-A772 VanDerWaalsContact C-N 3.35Å; Q770-A772 PolarHBondContact O-N 3.36Å; A772-S775 PolarHBondContact O-OG 3.28Å; A772-R776 PolarHBondContact O-N 3.48Å |
| 773 | L | 79.8 | Confident | 71.4 | Confident | 104 Ų | 104 | 118.5 Ų | 118.5 | 55% | 0.545 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -72.7 | -39.5 | 173.8 | -69 | 168.6 | 0 | 0 | 0 | 111.6 | R769 Q770 R776 S777 | R769-L773 HydrophobicContact CG-CD1 4.39Å; R769-L773 VanDerWaalsContact O-CG 3.3Å; R769-L773 WeakPolarHBondContact O-CG 3.42Å; R769-L773 PolarHBondContact O-N 3.04Å; Q770-L773 PolarHBondContact O-N 2.89Å; L773-R776 PolarHBondContact O-N 3.15Å; L773-S777 PolarHBondContact O-N 3.27Å; L773-S777 VanDerWaalsContact O-N 3.09Å |
| 774 | A | 75.3 | Confident | 68.9 | Low | 59 Ų | 59 | 122 Ų | 122 | 49% | 0.488 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -68 | -33.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q770 I771 R778 | Q770-A774 WeakPolarHBondContact O-CB 3.3Å; Q770-A774 PolarHBondContact O-N 3.5Å; I771-A774 PolarHBondContact O-N 3.05Å; A774-R778 PolarHBondContact O-N 2.66Å |
| 775 | S | 68.7 | Low | 66.8 | Low | 64 Ų | 64 | 123 Ų | 123 | 45% | 0.448 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -72 | -37.6 | 175.6 | 67.2 | 0 | 0 | 0 | 0 | 112.1 | I771 A772 R778 Q779 | I771-S775 WeakPolarHBondContact O-CB 3.32Å; I771-S775 PolarHBondContact O-N 3.42Å; I771-S775 PolarHBondContact O-OG 3.22Å; A772-S775 PolarHBondContact O-OG 3.28Å; S775-R778 PolarHBondContact O-N 2.94Å; S775-Q779 PolarHBondContact O-N 3.04Å |
| 776 | R | 62.9 | Low | 64.3 | Low | 176 Ų | 176 | 122.8 Ų | 122.8 | 66% | 0.664 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -60.1 | -49.9 | 171.8 | -169.7 | 171.7 | -177.4 | 169.4 | 2 | 111.4 | A772 L773 R778 Q779 D780 | A772-R776 PolarHBondContact O-N 3.48Å; L773-R776 PolarHBondContact O-N 3.15Å; R776-R778 PolarHBondContact O-N 2.98Å; R776-R778 VanDerWaalsContact O-N 3.09Å; R776-Q779 PolarHBondContact O-N 3.46Å; R776-D780 PolarHBondContact O-N 3.47Å |
| 777 | S | 55.6 | Low | 61.8 | Low | 78 Ų | 78 | 125.2 Ų | 125.2 | 55% | 0.545 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -55.9 | -27.7 | 175.1 | 174.9 | 0 | 0 | 0 | 0 | 114 | L773 T781 | L773-S777 PolarHBondContact O-N 3.27Å; L773-S777 VanDerWaalsContact O-N 3.09Å; S777-T781 PolarHBondContact O-OG1 3.44Å |
| 778 | R | 53.3 | Low | 59.3 | Low | 209 Ų | 209 | 125.8 Ų | 125.8 | 79% | 0.789 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -81.6 | -16.4 | 174.9 | -88.1 | -174.7 | 172.4 | -111.5 | 2.8 | 114.9 | A774 S775 R776 | A774-R778 PolarHBondContact O-N 2.66Å; S775-R778 PolarHBondContact O-N 2.94Å; R776-R778 PolarHBondContact O-N 2.98Å; R776-R778 VanDerWaalsContact O-N 3.09Å |
| 779 | Q | 48.4 | Very low | 57.3 | Low | 124 Ų | 124 | 128.9 Ų | 128.9 | 58% | 0.579 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -87.5 | -39.3 | 177.1 | -72.8 | -169.6 | -14.7 | 0 | 0 | 112.1 | S775 R776 T781 K782 | S775-Q779 PolarHBondContact O-N 3.04Å; R776-Q779 PolarHBondContact O-N 3.46Å; Q779-T781 VanDerWaalsContact C-N 3.25Å; Q779-T781 PolarHBondContact O-N 3.23Å; Q779-K782 PolarHBondContact O-N 2.85Å; Q779-K782 VanDerWaalsContact O-N 3.12Å |
| 780 | D | 45.3 | Very low | 55 | Low | 111 Ų | 111 | 128 Ų | 128 | 59% | 0.594 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -63.4 | -31.5 | -177.6 | -60.9 | -38.6 | 0 | 0 | 0 | 112 | R776 K782 | R776-D780 PolarHBondContact O-N 3.47Å; D780-K782 VanDerWaalsContact C-N 3.26Å; D780-K782 PolarHBondContact O-N 3.02Å |
| 781 | T | 48.1 | Very low | 52.6 | Low | 118 Ų | 118 | 127.6 Ų | 127.6 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.3 | 10.1 | 175.8 | 51.1 | 0 | 0 | 0 | 0 | 115.6 | S777 Q779 | S777-T781 PolarHBondContact O-OG1 3.44Å; Q779-T781 VanDerWaalsContact C-N 3.25Å; Q779-T781 PolarHBondContact O-N 3.23Å |
| 782 | K | 42 | Very low | 50.6 | Low | 186 Ų | 186 | 128 Ų | 128 | 81% | 0.809 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | 16.9 | -176.6 | -139.8 | -173.5 | -178.8 | -173.3 | 0 | 116.5 | Q779 D780 | Q779-K782 PolarHBondContact O-N 2.85Å; Q779-K782 VanDerWaalsContact O-N 3.12Å; D780-K782 VanDerWaalsContact C-N 3.26Å; D780-K782 PolarHBondContact O-N 3.02Å |
| 783 | R | 49.2 | Very low | 49 | Very low | 215 Ų | 215 | 132.4 Ų | 132.4 | 81% | 0.811 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -118.1 | -6.1 | 168.2 | -73.6 | -163.2 | -179.6 | 117 | -5.2 | 115.1 | A785 | R783-A785 PolarHBondContact O-N 2.89Š|
| 784 | E | 38.7 | Very low | 47.2 | Very low | 192 Ų | 192 | 131.3 Ų | 131.3 | 90% | 0.897 | 70% | 0.702 | S | S | * | * | trans | -96.9 | 69.2 | 178.9 | -164.6 | 164.2 | -156.2 | 0 | 0 | 111.9 | ||||
| 785 | A | 46 | Very low | 45.7 | Very low | 79 Ų | 79 | 138.7 Ų | 138.7 | 65% | 0.653 | 72% | 0.723 | S | S | * | * | trans | -155.9 | 126.1 | 168 | 0 | 0 | 0 | 0 | 0 | 110.3 | R783 | R783-A785 PolarHBondContact O-N 2.89Š| ||
| 786 | T | 33.3 | Very low | 44.5 | Very low | 118 Ų | 118 | 141.6 Ų | 141.6 | 72% | 0.724 | 74% | 0.738 | S | S | * | * | trans | 64.2 | 131.4 | -174.8 | 11.4 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 787 | H | 36.1 | Very low | 43.6 | Very low | 171 Ų | 171 | 138.5 Ų | 138.5 | 79% | 0.792 | 74% | 0.739 | S | S | * | * | cis | -136.1 | 163.1 | 25.8 | -76.5 | -87.8 | 0 | 0 | 0 | 113.7 | ||||
| 788 | P | 38.5 | Very low | 43.1 | Very low | 108 Ų | 108 | 142.7 Ų | 142.7 | 70% | 0.701 | 75% | 0.754 | S | S | * | * | trans | -74.6 | 166 | 178.6 | 31.8 | -37.5 | 0 | 0 | 0 | 114.2 | ||||
| 789 | P | 43.8 | Very low | 42.7 | Very low | 119 Ų | 119 | 143.7 Ų | 143.7 | 77% | 0.773 | 76% | 0.76 | S | S | * | * | trans | -71.6 | 170.5 | -176.4 | 30.3 | -38 | 0 | 0 | 0 | 115 | V791 | P789-V791 PolarHBondContact O-N 2.95Š| ||
| 790 | D | 38.5 | Very low | 42.5 | Very low | 166 Ų | 166 | 143.7 Ų | 143.7 | 89% | 0.888 | 77% | 0.774 | S | S | * | * | trans | -44.8 | 128.7 | -176.4 | -75.2 | -73.4 | 0 | 0 | 0 | 115.7 | ||||
| 791 | V | 37.4 | Very low | 42.2 | Very low | 121 Ų | 121 | 149.8 Ų | 149.8 | 73% | 0.733 | 79% | 0.788 | S | S | * | * | trans | -104.3 | 112.6 | 160.8 | 179 | 0 | 0 | 0 | 0 | 108.2 | P789 I793 | P789-V791 PolarHBondContact O-N 2.95Å; V791-I793 HydrophobicContact CG1-CG1 4.11Å; V791-I793 PolarHBondContact O-N 2.87Å | ||
| 792 | S | 44.1 | Very low | 41.6 | Very low | 113 Ų | 113 | 152.3 Ų | 152.3 | 79% | 0.79 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 84.6 | 176.6 | 39.7 | 0 | 0 | 0 | 0 | 111.5 | S794 | S792-S794 PolarHBondContact O-N 3.22Š| ||
| 793 | I | 44.6 | Very low | 41.1 | Very low | 149 Ų | 149 | 146.6 Ų | 146.6 | 76% | 0.764 | 79% | 0.789 | S | S | * | * | trans | -71.9 | 96.1 | 179.3 | -54.6 | 176.9 | 0 | 0 | 0 | 110.5 | V791 K795 | V791-I793 HydrophobicContact CG1-CG1 4.11Å; V791-I793 PolarHBondContact O-N 2.87Å; I793-K795 PolarHBondContact O-N 3.07Å | ||
| 794 | S | 40.7 | Very low | 40.7 | Very low | 82 Ų | 82 | 141.8 Ų | 141.8 | 57% | 0.573 | 79% | 0.786 | S | S | * | * | trans | -57.4 | 121 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 113 | S792 T796 | S792-S794 PolarHBondContact O-N 3.22Å; S794-T796 PolarHBondContact O-N 3.01Å | ||
| 795 | K | 43.9 | Very low | 40.4 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 93% | 0.93 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 45.1 | 175.8 | -75.2 | -172.6 | 172.5 | -179.8 | 0 | 113.7 | I793 | I793-K795 PolarHBondContact O-N 3.07Š|
| 796 | T | 43.8 | Very low | 39.8 | Very low | 124 Ų | 124 | 144 Ų | 144 | 76% | 0.761 | 79% | 0.792 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 4.1 | -172.9 | 44.9 | 0 | 0 | 0 | 0 | 115.1 | S794 | S794-T796 PolarHBondContact O-N 3.01Š|
| 797 | T | 43.3 | Very low | 40.2 | Very low | 112 Ų | 112 | 143.8 Ų | 143.8 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -114.3 | -3.9 | -167.1 | -42.9 | 0 | 0 | 0 | 0 | 115.7 | ||
| 798 | L | 46 | Very low | 40.1 | Very low | 165 Ų | 165 | 144.7 Ų | 144.7 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | S | Bend | trans | -115.6 | 24.3 | -170.7 | -70.1 | -179.9 | 0 | 0 | 0 | 116.8 | ||
| 799 | Y | 45.4 | Very low | 39.9 | Very low | 230 Ų | 230 | 148.5 Ų | 148.5 | 90% | 0.902 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -143 | 64.9 | 163.4 | -100.4 | -76.2 | 0 | 0 | 0 | 112.3 | ||
| 800 | S | 43 | Very low | 40.8 | Very low | 125 Ų | 125 | 148.1 Ų | 148.1 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | trans | -151.6 | 62.3 | 169.4 | -86.1 | 0 | 0 | 0 | 0 | 112 | ||||
| 801 | R | 38.9 | Very low | 41.3 | Very low | 238 Ų | 238 | 146 Ų | 146 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -141.5 | 62 | 167.7 | -176 | 160.8 | -79.2 | -164.8 | -3.8 | 111.6 | ||||
| 802 | I | 36.4 | Very low | 41.4 | Very low | 172 Ų | 172 | 143.8 Ų | 143.8 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | -137 | 90 | 159.2 | -49.2 | 178.4 | 0 | 0 | 0 | 108.6 | ||||
| 803 | G | 32.5 | Very low | 41.4 | Very low | 66 Ų | 66 | 146.9 Ų | 146.9 | 68% | 0.68 | 80% | 0.802 | S | S | * | * | trans | -117.4 | 156.7 | 144.5 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 804 | P | 40.5 | Very low | 41.5 | Very low | 114 Ų | 114 | 148.1 Ų | 148.1 | 74% | 0.74 | 81% | 0.809 | S | S | * | * | -146 | -161.3 | 54.5 | 42.1 | -23.4 | 0 | 0 | 0 | 114.5 | |||||
| 805 | T | 32.3 | Very low | 41.7 | Very low | 138 Ų | 138 | 151.6 Ų | 151.6 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | 74.5 | 127 | 157.9 | 39.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 806 | E | 33.8 | Very low | 42 | Very low | 179 Ų | 179 | 148.7 Ų | 148.7 | 84% | 0.836 | 80% | 0.804 | S | S | * | * | trans | -100.8 | 174.3 | 179.6 | -169.7 | -173.3 | -170.1 | 0 | 0 | 109.4 | ||||
| 807 | V | 40.5 | Very low | 42.4 | Very low | 114 Ų | 114 | 149 Ų | 149 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 84.3 | 127.6 | 161.6 | -169.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 808 | E | 35 | Very low | 43.4 | Very low | 189 Ų | 189 | 148.3 Ų | 148.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | 75 | 164.4 | 157.1 | -83.5 | -173.7 | 156.8 | 0 | 0 | 124.5 | ||||
| 809 | K | 33 | Very low | 44.2 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 82% | 0.817 | 78% | 0.782 | S | S | * | * | trans | -173.4 | 148.9 | -159.6 | 162.5 | -167.5 | 174.8 | -174.8 | 0 | 106.3 | ||||
| 810 | P | 62.4 | Low | 45.6 | Very low | 111 Ų | 111 | 138.9 Ų | 138.9 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | cis | -117.8 | -144.3 | -14.7 | 43 | -25.5 | 0 | 0 | 0 | 108.1 | ||||
| 811 | P | 49.4 | Very low | 47.2 | Very low | 123 Ų | 123 | 136.6 Ų | 136.6 | 80% | 0.799 | 74% | 0.738 | S | S | * | * | cis | -123.2 | 168.3 | -18.1 | 38.7 | -21.9 | 0 | 0 | 0 | 114.7 | ||||
| 812 | G | 40.6 | Very low | 49.3 | Very low | 73 Ų | 73 | 128.1 Ų | 128.1 | 75% | 0.753 | 72% | 0.715 | S | S | * | * | trans | -90.1 | -179.1 | -171 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 813 | L | 44.2 | Very low | 51.5 | Low | 178 Ų | 178 | 122.7 Ų | 122.7 | 93% | 0.932 | 70% | 0.696 | S | S | * | * | trans | -134 | 161 | 167.1 | -86.2 | 176.2 | 0 | 0 | 0 | 110.4 | ||||
| 814 | L | 46.9 | Very low | 54 | Low | 175 Ų | 175 | 122.9 Ų | 122.9 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | trans | -74.1 | 122.5 | -172.8 | -70.4 | 160.5 | 0 | 0 | 0 | 112.5 | ||||
| 815 | F | 43.9 | Very low | 56.2 | Low | 156 Ų | 156 | 124.2 Ų | 124.2 | 68% | 0.684 | 68% | 0.677 | S | S | * | * | trans | -98.4 | 160.5 | 154.1 | -165.3 | -102.6 | 0 | 0 | 0 | 109.1 | Q817 L820 | F815-Q817 PolarHBondContact O-N 3.22Å; F815-L820 HydrophobicContact CD1-CB 4.49Å | ||
| 816 | Q | 51.1 | Low | 58.8 | Low | 153 Ų | 153 | 122 Ų | 122 | 72% | 0.715 | 66% | 0.663 | S | S | * | * | trans | -76.2 | 84.6 | -169.4 | -167.6 | 161.8 | -0.1 | 0 | 0 | 112.2 | P818 D819 | Q816-P818 VanDerWaalsContact C-CD 3.41Å; Q816-P818 VanDerWaalsContact O-N 3.16Å; Q816-D819 PolarHBondContact O-N 3.07Å; Q816-D819 VanDerWaalsContact O-N 3.16Å | ||
| 817 | Q | 52.3 | Low | 61.3 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 60% | 0.603 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -48 | -43.1 | -167.6 | -163.8 | -171.9 | -27.4 | 0 | 0 | 116.1 | F815 D819 L820 D821 | F815-Q817 PolarHBondContact O-N 3.22Å; Q817-D819 VanDerWaalsContact C-N 3.28Å; Q817-D819 PolarHBondContact O-N 3.31Å; Q817-L820 PolarHBondContact O-N 3.39Å; Q817-D821 WeakPolarHBondContact CG-OD2 3.16Å; Q817-D821 PolarHBondContact NE2-OD2 2.89Å; Q817-D821 WeakPolarHBondContact O-CB 3.36Å; Q817-D821 PolarHBondContact O-N 3.47Å |
| 818 | P | 64.4 | Low | 63.7 | Low | 98 Ų | 98 | 118.1 Ų | 118.1 | 64% | 0.636 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -61.9 | -31.8 | -177.3 | -24.3 | 35.4 | 0 | 0 | 0 | 114.6 | Q816 S822 | Q816-P818 VanDerWaalsContact C-CD 3.41Å; Q816-P818 VanDerWaalsContact O-N 3.16Å; P818-S822 VanDerWaalsContact O-CB 3.27Å; P818-S822 WeakPolarHBondContact O-CB 3.49Å; P818-S822 PolarHBondContact O-N 3.2Å |
| 819 | D | 62.4 | Low | 66.3 | Low | 113 Ų | 113 | 112 Ų | 112 | 60% | 0.604 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -77.8 | -38.8 | -179.4 | -164.7 | 46.5 | 0 | 0 | 0 | 110.8 | Q816 Q817 S822 A823 | Q816-D819 PolarHBondContact O-N 3.07Å; Q816-D819 VanDerWaalsContact O-N 3.16Å; Q817-D819 VanDerWaalsContact C-N 3.28Å; Q817-D819 PolarHBondContact O-N 3.31Å; D819-S822 PolarHBondContact O-N 2.83Å; D819-A823 WeakPolarHBondContact O-CB 3.36Å; D819-A823 PolarHBondContact O-N 2.94Å |
| 820 | L | 73.9 | Confident | 69.1 | Low | 84 Ų | 84 | 108.7 Ų | 108.7 | 44% | 0.44 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -65.2 | -44.1 | 172.4 | -178.2 | 62.8 | 0 | 0 | 0 | 112.1 | F815 Q817 S822 A823 L824 | F815-L820 HydrophobicContact CD1-CB 4.49Å; Q817-L820 PolarHBondContact O-N 3.39Å; L820-S822 VanDerWaalsContact C-N 3.33Å; L820-A823 PolarHBondContact O-N 3.17Å; L820-L824 HydrophobicContact CD1-CD1 4.46Å; L820-L824 HydrophobicContact CG-CD1 4.18Å; L820-L824 WeakPolarHBondContact O-CB 3.39Å; L820-L824 VanDerWaalsContact O-CG 3.27Å; L820-L824 WeakPolarHBondContact O-CG 3.27Å; L820-L824 PolarHBondContact O-N 3.22Å |
| 821 | D | 77.7 | Confident | 70.5 | Confident | 78 Ų | 78 | 107.1 Ų | 107.1 | 42% | 0.417 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -66.6 | -35.4 | 176.8 | -77.6 | -26.4 | 0 | 0 | 0 | 111.2 | Q817 Q825 | Q817-D821 WeakPolarHBondContact CG-OD2 3.16Å; Q817-D821 PolarHBondContact NE2-OD2 2.89Å; Q817-D821 WeakPolarHBondContact O-CB 3.36Å; Q817-D821 PolarHBondContact O-N 3.47Å; D821-Q825 WeakPolarHBondContact O-CB 3.46Å; D821-Q825 PolarHBondContact O-N 3.46Å |
| 822 | S | 81.2 | Confident | 72.6 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 42% | 0.42 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66 | -48.4 | 172.6 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | P818 D819 L820 L824 Q825 V826 | P818-S822 VanDerWaalsContact O-CB 3.27Å; P818-S822 WeakPolarHBondContact O-CB 3.49Å; P818-S822 PolarHBondContact O-N 3.2Å; D819-S822 PolarHBondContact O-N 2.83Å; L820-S822 VanDerWaalsContact C-N 3.33Å; S822-L824 VanDerWaalsContact C-N 3.31Å; S822-L824 PolarHBondContact O-N 3.12Å; S822-Q825 WeakPolarHBondContact O-CB 3.38Å; S822-Q825 PolarHBondContact O-N 2.86Å; S822-V826 WeakPolarHBondContact O-CG2 2.93Å; S822-V826 PolarHBondContact O-N 3.24Å |
| 823 | A | 83.1 | Confident | 75.1 | Confident | 58 Ų | 58 | 104.1 Ų | 104.1 | 48% | 0.479 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.8 | -39 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D819 L820 V826 A827 | D819-A823 WeakPolarHBondContact O-CB 3.36Å; D819-A823 PolarHBondContact O-N 2.94Å; L820-A823 PolarHBondContact O-N 3.17Å; A823-V826 PolarHBondContact O-N 3.1Å; A823-A827 VanDerWaalsContact O-CB 3.31Å; A823-A827 WeakPolarHBondContact O-CB 3.17Å; A823-A827 PolarHBondContact O-N 3.11Å |
| 824 | L | 84.8 | Confident | 77.5 | Confident | 69 Ų | 69 | 100.6 Ų | 100.6 | 36% | 0.361 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.5 | -36.4 | 172.3 | -76.8 | 168.8 | 0 | 0 | 0 | 112.4 | L820 S822 R828 | L820-L824 HydrophobicContact CD1-CD1 4.46Å; L820-L824 HydrophobicContact CG-CD1 4.18Å; L820-L824 WeakPolarHBondContact O-CB 3.39Å; L820-L824 VanDerWaalsContact O-CG 3.27Å; L820-L824 WeakPolarHBondContact O-CG 3.27Å; L820-L824 PolarHBondContact O-N 3.22Å; S822-L824 VanDerWaalsContact C-N 3.31Å; S822-L824 PolarHBondContact O-N 3.12Å; L824-R828 WeakPolarHBondContact O-CB 3.38Å; L824-R828 WeakPolarHBondContact O-CD 3.39Å; L824-R828 WeakPolarHBondContact O-CG 3.38Å; L824-R828 PolarHBondContact O-N 3.22Å |
| 825 | Q | 86.9 | Confident | 79.7 | Confident | 142 Ų | 142 | 97.8 Ų | 97.8 | 66% | 0.664 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.3 | -40.7 | 175.9 | -169.8 | 172.8 | 13.5 | 0 | 0 | 111.7 | D821 S822 R828 A829 | D821-Q825 WeakPolarHBondContact O-CB 3.46Å; D821-Q825 PolarHBondContact O-N 3.46Å; S822-Q825 WeakPolarHBondContact O-CB 3.38Å; S822-Q825 PolarHBondContact O-N 2.86Å; Q825-R828 PolarHBondContact O-N 3.13Å; Q825-A829 WeakPolarHBondContact O-CB 3.35Å; Q825-A829 PolarHBondContact O-N 2.96Å |
| 826 | V | 87.4 | Confident | 82 | Confident | 91 Ų | 91 | 97.5 Ų | 97.5 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.6 | -48.9 | 173.2 | 173.2 | 0 | 0 | 0 | 0 | 110.7 | S822 A823 R828 A829 E830 | S822-V826 WeakPolarHBondContact O-CG2 2.93Å; S822-V826 PolarHBondContact O-N 3.24Å; A823-V826 PolarHBondContact O-N 3.1Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 2.95Å; V826-A829 CarbonylContact O-C 3.59Å; V826-A829 WeakPolarHBondContact O-CB 3.27Å; V826-A829 PolarHBondContact O-N 3.2Å; V826-A829 VanDerWaalsContact O-N 3.08Å; V826-E830 PolarHBondContact O-N 2.98Å |
| 827 | A | 86.6 | Confident | 84.1 | Confident | 47 Ų | 47 | 93.8 Ų | 93.8 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.2 | -37.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A823 E830 V831 | A823-A827 VanDerWaalsContact O-CB 3.31Å; A823-A827 WeakPolarHBondContact O-CB 3.17Å; A823-A827 PolarHBondContact O-N 3.11Å; A827-E830 PolarHBondContact O-N 3.27Å; A827-V831 WeakPolarHBondContact O-CB 3.31Å; A827-V831 VanDerWaalsContact O-CG2 3.31Å; A827-V831 WeakPolarHBondContact O-CG2 3.46Å; A827-V831 PolarHBondContact O-N 3.07Å |
| 828 | R | 90.6 | Very high | 86.2 | Confident | 166 Ų | 166 | 91.4 Ų | 91.4 | 63% | 0.626 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.2 | -40.6 | 172.4 | -74.5 | 167 | -176.3 | 170.3 | 4 | 112.2 | L824 Q825 V826 E830 V831 I832 | L824-R828 WeakPolarHBondContact O-CB 3.38Å; L824-R828 WeakPolarHBondContact O-CD 3.39Å; L824-R828 WeakPolarHBondContact O-CG 3.38Å; L824-R828 PolarHBondContact O-N 3.22Å; Q825-R828 PolarHBondContact O-N 3.13Å; V826-R828 VanDerWaalsContact C-N 3.31Å; V826-R828 PolarHBondContact O-N 2.95Å; R828-E830 VanDerWaalsContact C-N 3.35Å; R828-V831 PolarHBondContact O-N 3.35Å; R828-I832 WeakPolarHBondContact O-CB 3.33Å; R828-I832 WeakPolarHBondContact O-CD1 3.47Å; R828-I832 VanDerWaalsContact O-CG1 3.27Å; R828-I832 WeakPolarHBondContact O-CG1 3.39Å; R828-I832 PolarHBondContact O-N 3.33Å |
| 829 | A | 89.1 | Confident | 87.6 | Confident | 60 Ų | 60 | 88.3 Ų | 88.3 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.7 | -36.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q825 V826 I832 A833 | Q825-A829 WeakPolarHBondContact O-CB 3.35Å; Q825-A829 PolarHBondContact O-N 2.96Å; V826-A829 CarbonylContact O-C 3.59Å; V826-A829 WeakPolarHBondContact O-CB 3.27Å; V826-A829 PolarHBondContact O-N 3.2Å; V826-A829 VanDerWaalsContact O-N 3.08Å; A829-I832 PolarHBondContact O-N 3.09Å; A829-A833 WeakPolarHBondContact O-CB 3.47Å; A829-A833 PolarHBondContact O-N 2.92Å |
| 830 | E | 91.4 | Very high | 89.2 | Confident | 119 Ų | 119 | 87.4 Ų | 87.4 | 56% | 0.556 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -67.6 | -43.7 | 173.5 | -173.6 | 176.5 | -175.7 | 0 | 0 | 111.6 | V826 A827 R828 I832 A833 K834 | V826-E830 PolarHBondContact O-N 2.98Å; A827-E830 PolarHBondContact O-N 3.27Å; R828-E830 VanDerWaalsContact C-N 3.35Å; E830-I832 PolarHBondContact O-N 2.67Å; E830-A833 WeakPolarHBondContact O-CB 3.29Å; E830-A833 PolarHBondContact O-N 3.32Å; E830-A833 VanDerWaalsContact O-N 3.16Å; E830-K834 WeakPolarHBondContact O-CB 3.44Å; E830-K834 WeakPolarHBondContact O-CG 3.44Å; E830-K834 PolarHBondContact O-N 3.49Å |
| 831 | V | 92.2 | Very high | 90.3 | Very high | 78 Ų | 78 | 90.8 Ų | 90.8 | 47% | 0.473 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.7 | -47.9 | 171.9 | 166.9 | 0 | 0 | 0 | 0 | 110.6 | A827 R828 A833 K834 E835 | A827-V831 WeakPolarHBondContact O-CB 3.31Å; A827-V831 VanDerWaalsContact O-CG2 3.31Å; A827-V831 WeakPolarHBondContact O-CG2 3.46Å; A827-V831 PolarHBondContact O-N 3.07Å; R828-V831 PolarHBondContact O-N 3.35Å; V831-A833 VanDerWaalsContact C-N 3.29Å; V831-A833 PolarHBondContact O-N 3.5Å; V831-K834 CarbonylContact O-C 3.59Å; V831-K834 PolarHBondContact O-N 2.82Å; V831-K834 VanDerWaalsContact O-N 3.13Å; V831-E835 HydrophobicContact CG1-CG 4.19Å; V831-E835 WeakPolarHBondContact O-CB 3.34Å; V831-E835 VanDerWaalsContact O-CG 3.31Å; V831-E835 WeakPolarHBondContact O-CG 3.47Å; V831-E835 PolarHBondContact O-N 3.12Å |
| 832 | I | 94.6 | Very high | 91.2 | Very high | 95 Ų | 95 | 92.9 Ų | 92.9 | 49% | 0.487 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -64.3 | -32.4 | 177.1 | -68.6 | 164.1 | 0 | 0 | 0 | 112 | R828 A829 E830 R836 | R828-I832 WeakPolarHBondContact O-CB 3.33Å; R828-I832 WeakPolarHBondContact O-CD1 3.47Å; R828-I832 VanDerWaalsContact O-CG1 3.27Å; R828-I832 WeakPolarHBondContact O-CG1 3.39Å; R828-I832 PolarHBondContact O-N 3.33Å; A829-I832 PolarHBondContact O-N 3.09Å; E830-I832 PolarHBondContact O-N 2.67Å; I832-R836 WeakPolarHBondContact O-CG 3.33Å; I832-R836 PolarHBondContact O-N 3.24Å; I832-R836 VanDerWaalsContact O-N 3.16Å |
| 833 | A | 92.6 | Very high | 91.9 | Very high | 38 Ų | 38 | 94.5 Ų | 94.5 | 31% | 0.314 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.5 | -42.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A829 E830 V831 R836 E837 | A829-A833 WeakPolarHBondContact O-CB 3.47Å; A829-A833 PolarHBondContact O-N 2.92Å; E830-A833 WeakPolarHBondContact O-CB 3.29Å; E830-A833 PolarHBondContact O-N 3.32Å; E830-A833 VanDerWaalsContact O-N 3.16Å; V831-A833 VanDerWaalsContact C-N 3.29Å; V831-A833 PolarHBondContact O-N 3.5Å; A833-R836 PolarHBondContact O-N 3.16Å; A833-E837 WeakPolarHBondContact O-CB 3.49Å; A833-E837 PolarHBondContact O-N 3.27Å |
| 834 | K | 94.1 | Very high | 92.6 | Very high | 103 Ų | 103 | 96.5 Ų | 96.5 | 45% | 0.448 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -70.6 | -34.3 | 177 | -70.5 | -72.4 | 164.9 | -163.1 | 0 | 112.8 | E830 V831 E837 V838 | E830-K834 WeakPolarHBondContact O-CB 3.44Å; E830-K834 WeakPolarHBondContact O-CG 3.44Å; E830-K834 PolarHBondContact O-N 3.49Å; V831-K834 CarbonylContact O-C 3.59Å; V831-K834 PolarHBondContact O-N 2.82Å; V831-K834 VanDerWaalsContact O-N 3.13Å; K834-E837 WeakPolarHBondContact CD-OE2 3.24Å; K834-E837 WeakPolarHBondContact CE-OE2 3.47Å; K834-E837 IonicContact NZ-OE1 3.75Å; K834-E837 IonicContact NZ-OE2 2.67Å; K834-E837 PolarHBondContact NZ-OE2 3.38Å; K834-E837 PolarHBondContact O-N 3.16Å; K834-V838 VanDerWaalsContact O-CB 3.27Å; K834-V838 WeakPolarHBondContact O-CB 3.03Å; K834-V838 WeakPolarHBondContact O-CG2 3.48Å; K834-V838 PolarHBondContact O-N 2.89Å |
| 835 | E | 92.4 | Very high | 93.1 | Very high | 116 Ų | 116 | 100.6 Ų | 100.6 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 172.7 | -75.4 | 175 | 158.2 | 0 | 0 | 111.7 | V831 S839 | V831-E835 HydrophobicContact CG1-CG 4.19Å; V831-E835 WeakPolarHBondContact O-CB 3.34Å; V831-E835 VanDerWaalsContact O-CG 3.31Å; V831-E835 WeakPolarHBondContact O-CG 3.47Å; V831-E835 PolarHBondContact O-N 3.12Å; E835-S839 VanDerWaalsContact O-CB 3.31Å; E835-S839 WeakPolarHBondContact O-CB 3.45Å; E835-S839 PolarHBondContact O-N 2.85Å; E835-S839 PolarHBondContact O-OG 3.06Å |
| 836 | R | 94.1 | Very high | 93.6 | Very high | 150 Ų | 150 | 97.8 Ų | 97.8 | 57% | 0.566 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.4 | -50.1 | 170.1 | -73.8 | -174.5 | -61.7 | 128.8 | -2.4 | 111.8 | I832 A833 V838 S839 E840 | I832-R836 WeakPolarHBondContact O-CG 3.33Å; I832-R836 PolarHBondContact O-N 3.24Å; I832-R836 VanDerWaalsContact O-N 3.16Å; A833-R836 PolarHBondContact O-N 3.16Å; R836-V838 PolarHBondContact O-N 3.24Å; R836-S839 CarbonylContact O-C 3.55Å; R836-S839 WeakPolarHBondContact O-CA 3.31Å; R836-S839 WeakPolarHBondContact O-CB 3.27Å; R836-S839 PolarHBondContact O-N 3.4Å; R836-E840 WeakPolarHBondContact O-CG 2.9Å; R836-E840 PolarHBondContact O-N 3.41Å |
| 837 | E | 95.1 | Very high | 94 | Very high | 75 Ų | 75 | 97.9 Ų | 97.9 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.5 | -47.1 | 177.9 | -172.2 | -171.7 | 159.7 | 0 | 0 | 111.8 | A833 K834 S839 E840 W841 | A833-E837 WeakPolarHBondContact O-CB 3.49Å; A833-E837 PolarHBondContact O-N 3.27Å; K834-E837 WeakPolarHBondContact CD-OE2 3.24Å; K834-E837 WeakPolarHBondContact CE-OE2 3.47Å; K834-E837 IonicContact NZ-OE1 3.75Å; K834-E837 IonicContact NZ-OE2 2.67Å; K834-E837 PolarHBondContact NZ-OE2 3.38Å; K834-E837 PolarHBondContact O-N 3.16Å; E837-S839 VanDerWaalsContact C-N 3.26Å; E837-S839 PolarHBondContact O-N 2.97Å; E837-E840 PolarHBondContact O-N 2.98Å; E837-W841 PolarHBondContact O-N 2.65Å |
| 838 | V | 94.7 | Very high | 94.5 | Very high | 80 Ų | 80 | 98.4 Ų | 98.4 | 49% | 0.485 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -29.7 | 175.4 | 171.4 | 0 | 0 | 0 | 0 | 111.6 | K834 R836 R842 | K834-V838 VanDerWaalsContact O-CB 3.27Å; K834-V838 WeakPolarHBondContact O-CB 3.03Å; K834-V838 WeakPolarHBondContact O-CG2 3.48Å; K834-V838 PolarHBondContact O-N 2.89Å; R836-V838 PolarHBondContact O-N 3.24Å; V838-R842 WeakPolarHBondContact O-CG 3.3Å; V838-R842 PolarHBondContact O-N 3.02Å |
| 839 | S | 94.9 | Very high | 94.8 | Very high | 33 Ų | 33 | 96 Ų | 96 | 23% | 0.231 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -70.5 | -47.9 | 173 | -59.2 | 0 | 0 | 0 | 0 | 111.9 | E835 R836 E837 W841 R842 D843 | E835-S839 VanDerWaalsContact O-CB 3.31Å; E835-S839 WeakPolarHBondContact O-CB 3.45Å; E835-S839 PolarHBondContact O-N 2.85Å; E835-S839 PolarHBondContact O-OG 3.06Å; R836-S839 CarbonylContact O-C 3.55Å; R836-S839 WeakPolarHBondContact O-CA 3.31Å; R836-S839 WeakPolarHBondContact O-CB 3.27Å; R836-S839 PolarHBondContact O-N 3.4Å; E837-S839 VanDerWaalsContact C-N 3.26Å; E837-S839 PolarHBondContact O-N 2.97Å; S839-W841 PolarHBondContact O-N 3.16Å; S839-R842 VanDerWaalsContact CB-NH2 3.27Å; S839-R842 WeakPolarHBondContact O-CB 3.49Å; S839-R842 PolarHBondContact O-N 3.2Å; S839-R842 PolarHBondContact OG-NH1 2.96Å; S839-R842 VanDerWaalsContact OG-NH1 3.16Å; S839-R842 PolarHBondContact OG-NH2 2.85Å; S839-D843 PolarHBondContact O-N 2.83Å |
| 840 | E | 96.1 | Very high | 95.2 | Very high | 94 Ų | 94 | 99.7 Ų | 99.7 | 44% | 0.439 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -56.9 | -37.1 | 173.1 | -66.4 | 172.2 | -146 | 0 | 0 | 112.1 | R836 E837 K844 | R836-E840 WeakPolarHBondContact O-CG 2.9Å; R836-E840 PolarHBondContact O-N 3.41Å; E837-E840 PolarHBondContact O-N 2.98Å; E840-K844 WeakPolarHBondContact O-CB 3.37Å; E840-K844 VanDerWaalsContact O-CD 3.27Å; E840-K844 WeakPolarHBondContact O-CD 3.41Å; E840-K844 WeakPolarHBondContact O-CG 3.39Å; E840-K844 PolarHBondContact O-N 3.21Å; E840-K844 IonicContact OE2-NZ 3.58Å |
| 841 | W | 97.1 | Very high | 95.4 | Very high | 155 Ų | 155 | 99.5 Ų | 99.5 | 59% | 0.587 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -70.1 | -35.2 | 174.1 | -75.1 | 122.4 | 0 | 0 | 0 | 113.6 | E837 S839 K844 Y845 | E837-W841 PolarHBondContact O-N 2.65Å; S839-W841 PolarHBondContact O-N 3.16Å; W841-K844 HydrophobicContact CE3-CD 4.04Å; W841-K844 HydrophobicContact CZ3-CD 4.23Å; W841-Y845 VanDerWaalsContact O-CB 3.31Å; W841-Y845 WeakPolarHBondContact O-CB 3.48Å; W841-Y845 PolarHBondContact O-N 3.14Å |
| 842 | R | 95.9 | Very high | 95.7 | Very high | 121 Ų | 121 | 99 Ų | 99 | 46% | 0.457 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.5 | -46.7 | 170.6 | -72 | -170.2 | -42.1 | -84.1 | -5.7 | 110.6 | V838 S839 K844 Y845 E846 | V838-R842 WeakPolarHBondContact O-CG 3.3Å; V838-R842 PolarHBondContact O-N 3.02Å; S839-R842 VanDerWaalsContact CB-NH2 3.27Å; S839-R842 WeakPolarHBondContact O-CB 3.49Å; S839-R842 PolarHBondContact O-N 3.2Å; S839-R842 PolarHBondContact OG-NH1 2.96Å; S839-R842 VanDerWaalsContact OG-NH1 3.16Å; S839-R842 PolarHBondContact OG-NH2 2.85Å; R842-K844 PolarHBondContact O-N 2.94Å; R842-Y845 CarbonylContact O-C 3.54Å; R842-Y845 WeakPolarHBondContact O-CB 3.22Å; R842-Y845 PolarHBondContact O-N 2.69Å; R842-Y845 VanDerWaalsContact O-N 3.12Å; R842-E846 WeakPolarHBondContact O-CG 3.49Å; R842-E846 PolarHBondContact O-N 2.66Å |
| 843 | D | 96.4 | Very high | 95.8 | Very high | 94 Ų | 94 | 97.8 Ų | 97.8 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -176.4 | -59.8 | -18.5 | 0 | 0 | 0 | 110.8 | S839 Y845 E846 E847 | S839-D843 PolarHBondContact O-N 2.83Å; D843-Y845 PolarHBondContact O-N 3.44Å; D843-E846 PolarHBondContact O-N 3.41Å; D843-E847 WeakPolarHBondContact O-CB 3.31Å; D843-E847 PolarHBondContact O-N 3Å |
| 844 | K | 96.8 | Very high | 96 | Very high | 101 Ų | 101 | 101.6 Ų | 101.6 | 44% | 0.439 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 171.4 | -71.5 | 162 | -169.8 | 158.1 | 0 | 112.8 | E840 W841 R842 E847 S848 | E840-K844 WeakPolarHBondContact O-CB 3.37Å; E840-K844 VanDerWaalsContact O-CD 3.27Å; E840-K844 WeakPolarHBondContact O-CD 3.41Å; E840-K844 WeakPolarHBondContact O-CG 3.39Å; E840-K844 PolarHBondContact O-N 3.21Å; E840-K844 IonicContact OE2-NZ 3.58Å; W841-K844 HydrophobicContact CE3-CD 4.04Å; W841-K844 HydrophobicContact CZ3-CD 4.23Å; R842-K844 PolarHBondContact O-N 2.94Å; K844-E847 PolarHBondContact O-N 3.26Å; K844-S848 PolarHBondContact O-N 2.98Å |
| 845 | Y | 96.1 | Very high | 96.2 | Very high | 155 Ų | 155 | 102.3 Ų | 102.3 | 61% | 0.608 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -67.4 | -39.7 | 175.7 | 172 | -101.2 | 0 | 0 | 0 | 112.1 | W841 R842 D843 E847 R849 | W841-Y845 VanDerWaalsContact O-CB 3.31Å; W841-Y845 WeakPolarHBondContact O-CB 3.48Å; W841-Y845 PolarHBondContact O-N 3.14Å; R842-Y845 CarbonylContact O-C 3.54Å; R842-Y845 WeakPolarHBondContact O-CB 3.22Å; R842-Y845 PolarHBondContact O-N 2.69Å; R842-Y845 VanDerWaalsContact O-N 3.12Å; D843-Y845 PolarHBondContact O-N 3.44Å; Y845-E847 VanDerWaalsContact C-N 3.34Å; Y845-R849 VanDerWaalsContact O-CB 3.24Å; Y845-R849 WeakPolarHBondContact O-CB 3.38Å; Y845-R849 PolarHBondContact O-N 3.47Å |
| 846 | E | 96.8 | Very high | 96.5 | Very high | 82 Ų | 82 | 105.1 Ų | 105.1 | 38% | 0.383 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.9 | -22.9 | 176.8 | -65.3 | -156.3 | -139.9 | 0 | 0 | 113.2 | R842 D843 R849 R850 | R842-E846 WeakPolarHBondContact O-CG 3.49Å; R842-E846 PolarHBondContact O-N 2.66Å; D843-E846 PolarHBondContact O-N 3.41Å; E846-R849 IonicContact OE2-CZ 3.28Å; E846-R849 VanDerWaalsContact OE2-CZ 3.3Å; E846-R849 IonicContact OE2-NH1 3.26Å; E846-R849 PolarHBondContact OE2-NH1 3.4Å; E846-R849 IonicContact OE2-NH2 3.09Å; E846-R849 PolarHBondContact OE2-NH2 3.45Å; E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 2.88Å; E846-R850 PolarHBondContact O-NE 3.4Å |
| 847 | E | 96.3 | Very high | 96.7 | Very high | 93 Ų | 93 | 104.2 Ų | 104.2 | 44% | 0.435 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -68.7 | -55.9 | 166.2 | -165.1 | 126.8 | -96.4 | 0 | 0 | 111.5 | D843 K844 Y845 R849 R850 E851 | D843-E847 WeakPolarHBondContact O-CB 3.31Å; D843-E847 PolarHBondContact O-N 3Å; K844-E847 PolarHBondContact O-N 3.26Å; Y845-E847 VanDerWaalsContact C-N 3.34Å; E847-R849 PolarHBondContact O-N 2.92Å; E847-R850 WeakPolarHBondContact O-CA 3.38Å; E847-R850 VanDerWaalsContact O-CB 3.31Å; E847-R850 WeakPolarHBondContact O-CB 3.4Å; E847-R850 PolarHBondContact O-N 3.19Å; E847-R850 IonicContact OE1-CZ 3.17Å; E847-R850 VanDerWaalsContact OE1-CZ 3.28Å; E847-R850 IonicContact OE1-NH1 3.51Å; E847-R850 PolarHBondContact OE1-NH1 3.03Å; E847-R850 VanDerWaalsContact OE1-NH1 3.09Å; E847-R850 IonicContact OE1-NH2 2.67Å; E847-R850 PolarHBondContact OE1-NH2 3.03Å; E847-E851 PolarHBondContact O-N 2.97Å |
| 848 | S | 96.1 | Very high | 96.8 | Very high | 58 Ų | 58 | 104.4 Ų | 104.4 | 41% | 0.406 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.6 | -33.8 | 176.5 | -172.1 | 0 | 0 | 0 | 0 | 112.6 | K844 R850 E851 V852 | K844-S848 PolarHBondContact O-N 2.98Å; S848-R850 VanDerWaalsContact C-N 3.34Å; S848-R850 PolarHBondContact O-N 3.34Å; S848-E851 WeakPolarHBondContact CA-OE2 3.29Å; S848-E851 PolarHBondContact O-N 3.36Å; S848-V852 WeakPolarHBondContact O-CB 3.19Å; S848-V852 WeakPolarHBondContact O-CG2 3.38Å; S848-V852 PolarHBondContact O-N 3.37Å |
| 849 | R | 97.3 | Very high | 97 | Very high | 117 Ų | 117 | 103.8 Ų | 103.8 | 44% | 0.442 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64.6 | -34.4 | 171.4 | -168.2 | -170.3 | 69.6 | -154.3 | -9.4 | 112.6 | Y845 E846 E847 V853 | Y845-R849 VanDerWaalsContact O-CB 3.24Å; Y845-R849 WeakPolarHBondContact O-CB 3.38Å; Y845-R849 PolarHBondContact O-N 3.47Å; E846-R849 IonicContact OE2-CZ 3.28Å; E846-R849 VanDerWaalsContact OE2-CZ 3.3Å; E846-R849 IonicContact OE2-NH1 3.26Å; E846-R849 PolarHBondContact OE2-NH1 3.4Å; E846-R849 IonicContact OE2-NH2 3.09Å; E846-R849 PolarHBondContact OE2-NH2 3.45Å; E847-R849 PolarHBondContact O-N 2.92Å; R849-V853 VanDerWaalsContact O-CG2 3.31Å; R849-V853 WeakPolarHBondContact O-CG2 3.31Å; R849-V853 PolarHBondContact O-N 2.98Å |
| 850 | R | 97.2 | Very high | 97.1 | Very high | 137 Ų | 137 | 104.4 Ų | 104.4 | 52% | 0.517 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.9 | -47.7 | 173.1 | -79.1 | 177.3 | -75.9 | 137.1 | -5.7 | 110.7 | E846 E847 S848 V852 V853 E854 | E846-R850 WeakPolarHBondContact O-CG 3.47Å; E846-R850 PolarHBondContact O-N 2.88Å; E846-R850 PolarHBondContact O-NE 3.4Å; E847-R850 WeakPolarHBondContact O-CA 3.38Å; E847-R850 VanDerWaalsContact O-CB 3.31Å; E847-R850 WeakPolarHBondContact O-CB 3.4Å; E847-R850 PolarHBondContact O-N 3.19Å; E847-R850 IonicContact OE1-CZ 3.17Å; E847-R850 VanDerWaalsContact OE1-CZ 3.28Å; E847-R850 IonicContact OE1-NH1 3.51Å; E847-R850 PolarHBondContact OE1-NH1 3.03Å; E847-R850 VanDerWaalsContact OE1-NH1 3.09Å; E847-R850 IonicContact OE1-NH2 2.67Å; E847-R850 PolarHBondContact OE1-NH2 3.03Å; S848-R850 VanDerWaalsContact C-N 3.34Å; S848-R850 PolarHBondContact O-N 3.34Å; R850-V852 VanDerWaalsContact C-N 3.35Å; R850-V852 PolarHBondContact O-N 3.44Å; R850-V853 WeakPolarHBondContact O-CB 3.33Å; R850-V853 PolarHBondContact O-N 2.8Å; R850-E854 PolarHBondContact O-N 3.18Å |
| 851 | E | 96.7 | Very high | 97.2 | Very high | 115 Ų | 115 | 104.9 Ų | 104.9 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56 | -46.1 | 176.6 | -64.3 | 172.8 | 157 | 0 | 0 | 111.9 | E847 S848 V853 E854 M855 | E847-E851 PolarHBondContact O-N 2.97Å; S848-E851 WeakPolarHBondContact CA-OE2 3.29Å; S848-E851 PolarHBondContact O-N 3.36Å; E851-V853 VanDerWaalsContact C-N 3.3Å; E851-V853 PolarHBondContact O-N 3.49Å; E851-E854 PolarHBondContact O-N 3.3Å; E851-E854 VanDerWaalsContact O-N 3.16Å; E851-M855 WeakPolarHBondContact O-CB 3.39Å; E851-M855 PolarHBondContact O-N 2.65Å |
| 852 | V | 97.5 | Very high | 97.3 | Very high | 66 Ų | 66 | 104.9 Ų | 104.9 | 40% | 0.4 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -32.6 | 177.2 | 169.5 | 0 | 0 | 0 | 0 | 112.2 | S848 R850 R856 | S848-V852 WeakPolarHBondContact O-CB 3.19Å; S848-V852 WeakPolarHBondContact O-CG2 3.38Å; S848-V852 PolarHBondContact O-N 3.37Å; R850-V852 VanDerWaalsContact C-N 3.35Å; R850-V852 PolarHBondContact O-N 3.44Å; V852-R856 WeakPolarHBondContact O-CD 3.47Å; V852-R856 WeakPolarHBondContact O-CG 3.5Å; V852-R856 PolarHBondContact O-N 3.5Å; V852-R856 VanDerWaalsContact O-N 3.16Å |
| 853 | V | 97.5 | Very high | 97.3 | Very high | 71 Ų | 71 | 105.1 Ų | 105.1 | 43% | 0.43 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -72.5 | -35.2 | 173.6 | 166.5 | 0 | 0 | 0 | 0 | 111.5 | R849 R850 E851 R856 K857 | R849-V853 VanDerWaalsContact O-CG2 3.31Å; R849-V853 WeakPolarHBondContact O-CG2 3.31Å; R849-V853 PolarHBondContact O-N 2.98Å; R850-V853 WeakPolarHBondContact O-CB 3.33Å; R850-V853 PolarHBondContact O-N 2.8Å; E851-V853 VanDerWaalsContact C-N 3.3Å; E851-V853 PolarHBondContact O-N 3.49Å; V853-R856 PolarHBondContact O-N 3Å; V853-K857 WeakPolarHBondContact O-CG 3.48Å; V853-K857 PolarHBondContact O-N 2.91Å |
| 854 | E | 97.3 | Very high | 97.4 | Very high | 118 Ų | 118 | 106.3 Ų | 106.3 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -70.1 | -45.5 | 175.5 | -174 | 151 | -143.9 | 0 | 0 | 112 | R850 E851 R856 K857 I858 | R850-E854 PolarHBondContact O-N 3.18Å; E851-E854 PolarHBondContact O-N 3.3Å; E851-E854 VanDerWaalsContact O-N 3.16Å; E854-R856 VanDerWaalsContact C-N 3.25Å; E854-R856 PolarHBondContact O-N 3.29Å; E854-K857 WeakPolarHBondContact O-CB 3.4Å; E854-K857 PolarHBondContact O-N 2.91Å; E854-I858 HydrophobicContact CG-CD1 4.32Å; E854-I858 WeakPolarHBondContact O-CG1 3.25Å; E854-I858 PolarHBondContact O-N 2.63Å |
| 855 | M | 97.9 | Very high | 97.5 | Very high | 118 Ų | 118 | 104.9 Ų | 104.9 | 58% | 0.581 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -55.2 | -40.2 | 171.8 | -168.8 | 64 | 66.6 | 0 | 0 | 111.8 | E851 K857 I858 V859 | E851-M855 WeakPolarHBondContact O-CB 3.39Å; E851-M855 PolarHBondContact O-N 2.65Å; M855-K857 PolarHBondContact O-N 2.97Å; M855-I858 PolarHBondContact O-N 2.84Å; M855-V859 WeakPolarHBondContact O-CG2 3.36Å; M855-V859 PolarHBondContact O-N 2.93Å |
| 856 | R | 97.8 | Very high | 97.6 | Very high | 174 Ų | 174 | 102.4 Ų | 102.4 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.5 | -34.5 | 174.6 | -75.2 | 170.2 | -172.1 | -173.8 | 3.4 | 113.5 | V852 V853 E854 A860 | V852-R856 WeakPolarHBondContact O-CD 3.47Å; V852-R856 WeakPolarHBondContact O-CG 3.5Å; V852-R856 PolarHBondContact O-N 3.5Å; V852-R856 VanDerWaalsContact O-N 3.16Å; V853-R856 PolarHBondContact O-N 3Å; E854-R856 VanDerWaalsContact C-N 3.25Å; E854-R856 PolarHBondContact O-N 3.29Å; R856-A860 WeakPolarHBondContact O-CB 3.3Å; R856-A860 PolarHBondContact O-N 3.06Å |
| 857 | K | 98.3 | Very high | 97.7 | Very high | 132 Ų | 132 | 101.2 Ų | 101.2 | 57% | 0.574 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 173 | -65.7 | 169.8 | -173.7 | 173.1 | 0 | 110.9 | V853 E854 M855 A860 E861 | V853-K857 WeakPolarHBondContact O-CG 3.48Å; V853-K857 PolarHBondContact O-N 2.91Å; E854-K857 WeakPolarHBondContact O-CB 3.4Å; E854-K857 PolarHBondContact O-N 2.91Å; M855-K857 PolarHBondContact O-N 2.97Å; K857-A860 PolarHBondContact O-N 2.99Å; K857-E861 PolarHBondContact O-N 3.34Å |
| 858 | I | 98.1 | Very high | 97.7 | Very high | 79 Ų | 79 | 101 Ų | 101 | 41% | 0.405 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.9 | -47.3 | 178.1 | -67.1 | 166.8 | 0 | 0 | 0 | 110.2 | E854 M855 E861 Y862 | E854-I858 HydrophobicContact CG-CD1 4.32Å; E854-I858 WeakPolarHBondContact O-CG1 3.25Å; E854-I858 PolarHBondContact O-N 2.63Å; M855-I858 PolarHBondContact O-N 2.84Å; I858-E861 PolarHBondContact O-N 3.39Å; I858-Y862 HydrophobicContact CG2-CD2 3.8Å; I858-Y862 HydrophobicContact CG2-CE2 3.46Å; I858-Y862 VanDerWaalsContact CG2-CE2 3.46Å; I858-Y862 WeakPolarHBondContact O-CD2 3.44Å; I858-Y862 PolarHBondContact O-N 3.46Å |
| 859 | V | 98.3 | Very high | 97.8 | Very high | 67 Ų | 67 | 104.2 Ų | 104.2 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.6 | -45.9 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 111.8 | M855 E861 Y862 E863 | M855-V859 WeakPolarHBondContact O-CG2 3.36Å; M855-V859 PolarHBondContact O-N 2.93Å; V859-E861 VanDerWaalsContact C-N 3.34Å; V859-E861 PolarHBondContact O-N 2.83Å; V859-Y862 PolarHBondContact O-N 2.73Å; V859-Y862 VanDerWaalsContact O-N 3.14Å; V859-E863 HydrophobicContact CG1-CG 4.25Å; V859-E863 WeakPolarHBondContact O-CG 3.3Å; V859-E863 PolarHBondContact O-N 3.46Å |
| 860 | A | 98 | Very high | 97.8 | Very high | 46 Ų | 46 | 103.4 Ų | 103.4 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.8 | -36.1 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | R856 K857 K864 | R856-A860 WeakPolarHBondContact O-CB 3.3Å; R856-A860 PolarHBondContact O-N 3.06Å; K857-A860 PolarHBondContact O-N 2.99Å; A860-K864 VanDerWaalsContact O-CB 3.25Å; A860-K864 WeakPolarHBondContact O-CB 3.43Å; A860-K864 PolarHBondContact O-N 2.71Å |
| 861 | E | 97.8 | Very high | 97.9 | Very high | 104 Ų | 104 | 102.2 Ų | 102.2 | 49% | 0.486 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.1 | -36.4 | 172.9 | -71.3 | -65.3 | 147.1 | 0 | 0 | 111.7 | K857 I858 V859 K864 T865 | K857-E861 PolarHBondContact O-N 3.34Å; I858-E861 PolarHBondContact O-N 3.39Å; V859-E861 VanDerWaalsContact C-N 3.34Å; V859-E861 PolarHBondContact O-N 2.83Å; E861-K864 PolarHBondContact O-N 3.46Å; E861-K864 IonicContact OE1-NZ 2.69Å; E861-K864 PolarHBondContact OE1-NZ 3.06Å; E861-K864 IonicContact OE2-NZ 2.65Å; E861-K864 PolarHBondContact OE2-NZ 3.06Å; E861-T865 WeakPolarHBondContact O-CB 3.2Å; E861-T865 PolarHBondContact O-N 2.8Å; E861-T865 PolarHBondContact O-OG1 3.18Å |
| 862 | Y | 98.3 | Very high | 97.9 | Very high | 155 Ų | 155 | 99.7 Ų | 99.7 | 61% | 0.608 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 170.5 | -76.6 | -55.7 | 0 | 0 | 0 | 113 | I858 V859 K864 T865 I866 | I858-Y862 HydrophobicContact CG2-CD2 3.8Å; I858-Y862 HydrophobicContact CG2-CE2 3.46Å; I858-Y862 VanDerWaalsContact CG2-CE2 3.46Å; I858-Y862 WeakPolarHBondContact O-CD2 3.44Å; I858-Y862 PolarHBondContact O-N 3.46Å; V859-Y862 PolarHBondContact O-N 2.73Å; V859-Y862 VanDerWaalsContact O-N 3.14Å; Y862-K864 VanDerWaalsContact C-N 3.28Å; Y862-K864 PolarHBondContact O-N 2.89Å; Y862-T865 PolarHBondContact O-N 2.98Å; Y862-I866 VanDerWaalsContact O-CG1 3.29Å; Y862-I866 WeakPolarHBondContact O-CG1 3.34Å; Y862-I866 PolarHBondContact O-N 2.94Å |
| 863 | E | 97.6 | Very high | 97.9 | Very high | 125 Ų | 125 | 100.6 Ų | 100.6 | 58% | 0.584 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -57.4 | -43.4 | 175.4 | -73.9 | 174.9 | 165.8 | 0 | 0 | 111.1 | V859 I866 A867 | V859-E863 HydrophobicContact CG1-CG 4.25Å; V859-E863 WeakPolarHBondContact O-CG 3.3Å; V859-E863 PolarHBondContact O-N 3.46Å; E863-I866 PolarHBondContact O-N 3.35Å; E863-A867 WeakPolarHBondContact O-CB 3.38Å; E863-A867 PolarHBondContact O-N 2.92Å |
| 864 | K | 98.3 | Very high | 97.9 | Very high | 120 Ų | 120 | 102.2 Ų | 102.2 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -41.7 | 174.2 | 172.5 | -178.6 | 158.9 | -147.1 | 0 | 112.8 | A860 E861 Y862 A867 Q868 | A860-K864 VanDerWaalsContact O-CB 3.25Å; A860-K864 WeakPolarHBondContact O-CB 3.43Å; A860-K864 PolarHBondContact O-N 2.71Å; E861-K864 PolarHBondContact O-N 3.46Å; E861-K864 IonicContact OE1-NZ 2.69Å; E861-K864 PolarHBondContact OE1-NZ 3.06Å; E861-K864 IonicContact OE2-NZ 2.65Å; E861-K864 PolarHBondContact OE2-NZ 3.06Å; Y862-K864 VanDerWaalsContact C-N 3.28Å; Y862-K864 PolarHBondContact O-N 2.89Å; K864-A867 PolarHBondContact O-N 2.99Å; K864-Q868 WeakPolarHBondContact O-CB 3.45Å; K864-Q868 PolarHBondContact O-N 3.25Å |
| 865 | T | 98.1 | Very high | 97.9 | Very high | 71 Ų | 71 | 101.4 Ų | 101.4 | 44% | 0.436 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.7 | -43.8 | 174.3 | -60.4 | 0 | 0 | 0 | 0 | 111.4 | E861 Y862 Q868 M869 | E861-T865 WeakPolarHBondContact O-CB 3.2Å; E861-T865 PolarHBondContact O-N 2.8Å; E861-T865 PolarHBondContact O-OG1 3.18Å; Y862-T865 PolarHBondContact O-N 2.98Å; T865-Q868 PolarHBondContact O-N 2.7Å; T865-M869 HydrophobicContact CG2-SD 4.32Å; T865-M869 WeakPolarHBondContact O-CG 3.31Å; T865-M869 PolarHBondContact O-N 3.15Å |
| 866 | I | 98.2 | Very high | 97.9 | Very high | 102 Ų | 102 | 102.3 Ų | 102.3 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.6 | -67.6 | 162.7 | 0 | 0 | 0 | 110.6 | Y862 E863 Q868 M869 I870 | Y862-I866 VanDerWaalsContact O-CG1 3.29Å; Y862-I866 WeakPolarHBondContact O-CG1 3.34Å; Y862-I866 PolarHBondContact O-N 2.94Å; E863-I866 PolarHBondContact O-N 3.35Å; I866-Q868 VanDerWaalsContact C-N 3.35Å; I866-Q868 PolarHBondContact O-N 3.39Å; I866-M869 PolarHBondContact O-N 3.07Å; I866-I870 HydrophobicContact CG2-CD1 3.94Å; I866-I870 VanDerWaalsContact O-CG1 3.3Å; I866-I870 WeakPolarHBondContact O-CG1 3.35Å; I866-I870 PolarHBondContact O-N 3.34Å |
| 867 | A | 98.2 | Very high | 97.9 | Very high | 58 Ų | 58 | 98.8 Ų | 98.8 | 48% | 0.479 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.1 | -41.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | E863 K864 I870 E871 | E863-A867 WeakPolarHBondContact O-CB 3.38Å; E863-A867 PolarHBondContact O-N 2.92Å; K864-A867 PolarHBondContact O-N 2.99Å; A867-I870 PolarHBondContact O-N 2.88Å; A867-E871 PolarHBondContact O-N 3.03Å |
| 868 | Q | 98 | Very high | 97.9 | Very high | 87 Ų | 87 | 95.9 Ų | 95.9 | 41% | 0.407 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 176.7 | -168.5 | 61.5 | 69.6 | 0 | 0 | 111.7 | K864 T865 I866 I870 E871 D872 | K864-Q868 WeakPolarHBondContact O-CB 3.45Å; K864-Q868 PolarHBondContact O-N 3.25Å; T865-Q868 PolarHBondContact O-N 2.7Å; I866-Q868 VanDerWaalsContact C-N 3.35Å; I866-Q868 PolarHBondContact O-N 3.39Å; Q868-I870 VanDerWaalsContact C-N 3.28Å; Q868-I870 PolarHBondContact O-N 3.29Å; Q868-E871 PolarHBondContact NE2-OE2 3.32Å; Q868-E871 PolarHBondContact O-N 2.94Å; Q868-D872 PolarHBondContact NE2-OD1 2.97Å; Q868-D872 WeakPolarHBondContact O-CB 3.28Å; Q868-D872 PolarHBondContact O-N 3.32Å |
| 869 | M | 97.9 | Very high | 97.9 | Very high | 127 Ų | 127 | 96.6 Ų | 96.6 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -59.5 | -37.7 | 175.5 | -73.6 | 179.2 | 68.4 | 0 | 0 | 112.4 | T865 I866 E873 | T865-M869 HydrophobicContact CG2-SD 4.32Å; T865-M869 WeakPolarHBondContact O-CG 3.31Å; T865-M869 PolarHBondContact O-N 3.15Å; I866-M869 PolarHBondContact O-N 3.07Å; M869-E873 VanDerWaalsContact O-CB 3.3Å; M869-E873 WeakPolarHBondContact O-CB 3.5Å; M869-E873 PolarHBondContact O-N 3.39Å |
| 870 | I | 97.6 | Very high | 97.9 | Very high | 99 Ų | 99 | 96.1 Ų | 96.1 | 51% | 0.508 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -45.4 | 175.3 | -67.4 | 164.3 | 0 | 0 | 0 | 110.6 | I866 A867 Q868 D872 E873 Q874 | I866-I870 HydrophobicContact CG2-CD1 3.94Å; I866-I870 VanDerWaalsContact O-CG1 3.3Å; I866-I870 WeakPolarHBondContact O-CG1 3.35Å; I866-I870 PolarHBondContact O-N 3.34Å; A867-I870 PolarHBondContact O-N 2.88Å; Q868-I870 VanDerWaalsContact C-N 3.28Å; Q868-I870 PolarHBondContact O-N 3.29Å; I870-D872 VanDerWaalsContact C-N 3.34Å; I870-D872 PolarHBondContact O-N 3.49Å; I870-E873 PolarHBondContact O-N 2.98Å; I870-Q874 VanDerWaalsContact O-CG 3.31Å; I870-Q874 WeakPolarHBondContact O-CG 3.44Å; I870-Q874 PolarHBondContact O-N 3.48Å |
| 871 | E | 97.8 | Very high | 97.9 | Very high | 112 Ų | 112 | 99.4 Ų | 99.4 | 52% | 0.523 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 176.4 | -166.2 | -166.7 | -127.2 | 0 | 0 | 111.5 | A867 Q868 Q874 R875 | A867-E871 PolarHBondContact O-N 3.03Å; Q868-E871 PolarHBondContact NE2-OE2 3.32Å; Q868-E871 PolarHBondContact O-N 2.94Å; E871-Q874 PolarHBondContact O-N 3.3Å; E871-R875 WeakPolarHBondContact O-CB 3.32Å; E871-R875 PolarHBondContact O-N 2.87Å; E871-R875 IonicContact OE2-CZ 2.65Å; E871-R875 IonicContact OE2-NH2 2.97Å; E871-R875 PolarHBondContact OE2-NH2 3.38Å |
| 872 | D | 97.4 | Very high | 97.9 | Very high | 63 Ų | 63 | 101 Ų | 101 | 34% | 0.337 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 178.3 | -67.4 | -15.1 | 0 | 0 | 0 | 111.5 | Q868 I870 Q874 R875 E876 | Q868-D872 PolarHBondContact NE2-OD1 2.97Å; Q868-D872 WeakPolarHBondContact O-CB 3.28Å; Q868-D872 PolarHBondContact O-N 3.32Å; I870-D872 VanDerWaalsContact C-N 3.34Å; I870-D872 PolarHBondContact O-N 3.49Å; D872-Q874 PolarHBondContact O-N 3.46Å; D872-R875 WeakPolarHBondContact O-CB 3.43Å; D872-R875 PolarHBondContact O-N 3.26Å; D872-R875 IonicContact OD1-CZ 3.86Å; D872-R875 IonicContact OD1-NH1 2.66Å; D872-R875 PolarHBondContact OD1-NH1 2.77Å; D872-R875 IonicContact OD1-NH2 2.69Å; D872-R875 PolarHBondContact OD1-NH2 2.98Å; D872-E876 WeakPolarHBondContact O-CB 3.48Å; D872-E876 PolarHBondContact O-N 3.41Å |
| 873 | E | 97.4 | Very high | 97.9 | Very high | 84 Ų | 84 | 97.2 Ų | 97.2 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -38.1 | 176.9 | -165.4 | -134.7 | -155.5 | 0 | 0 | 112.1 | M869 I870 K877 | M869-E873 VanDerWaalsContact O-CB 3.3Å; M869-E873 WeakPolarHBondContact O-CB 3.5Å; M869-E873 PolarHBondContact O-N 3.39Å; I870-E873 PolarHBondContact O-N 2.98Å; E873-K877 VanDerWaalsContact CD-CE 3.42Å; E873-K877 HydrophobicContact CG-CD 4.48Å; E873-K877 WeakPolarHBondContact O-CB 3.33Å; E873-K877 WeakPolarHBondContact O-CD 3.28Å; E873-K877 WeakPolarHBondContact O-CG 3.31Å; E873-K877 PolarHBondContact O-N 3.01Å; E873-K877 WeakPolarHBondContact OE1-CE 3.37Å; E873-K877 IonicContact OE1-NZ 3.3Å; E873-K877 PolarHBondContact OE1-NZ 2.95Å; E873-K877 WeakPolarHBondContact OE2-CE 3.49Å; E873-K877 IonicContact OE2-NZ 2.67Å; E873-K877 PolarHBondContact OE2-NZ 3.29Å |
| 874 | Q | 97.8 | Very high | 98 | Very high | 105 Ų | 105 | 95.2 Ų | 95.2 | 49% | 0.491 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -71.4 | -32.6 | 174 | -63.9 | -57.1 | -61 | 0 | 0 | 112.5 | I870 E871 D872 S878 | I870-Q874 VanDerWaalsContact O-CG 3.31Å; I870-Q874 WeakPolarHBondContact O-CG 3.44Å; I870-Q874 PolarHBondContact O-N 3.48Å; E871-Q874 PolarHBondContact O-N 3.3Å; D872-Q874 PolarHBondContact O-N 3.46Å; Q874-S878 PolarHBondContact O-N 2.94Å; Q874-S878 PolarHBondContact O-OG 3.33Å |
| 875 | R | 97.8 | Very high | 98 | Very high | 102 Ų | 102 | 94.3 Ų | 94.3 | 39% | 0.385 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 175 | -154 | -174 | -47 | 103.6 | 1 | 111 | E871 D872 S878 I879 | E871-R875 WeakPolarHBondContact O-CB 3.32Å; E871-R875 PolarHBondContact O-N 2.87Å; E871-R875 IonicContact OE2-CZ 2.65Å; E871-R875 IonicContact OE2-NH2 2.97Å; E871-R875 PolarHBondContact OE2-NH2 3.38Å; D872-R875 WeakPolarHBondContact O-CB 3.43Å; D872-R875 PolarHBondContact O-N 3.26Å; D872-R875 IonicContact OD1-CZ 3.86Å; D872-R875 IonicContact OD1-NH1 2.66Å; D872-R875 PolarHBondContact OD1-NH1 2.77Å; D872-R875 IonicContact OD1-NH2 2.69Å; D872-R875 PolarHBondContact OD1-NH2 2.98Å; R875-S878 PolarHBondContact O-N 3.46Å; R875-S878 PolarHBondContact O-OG 2.96Å; R875-I879 HydrophobicContact CG-CD1 4.2Å; R875-I879 WeakPolarHBondContact O-CB 3.2Å; R875-I879 VanDerWaalsContact O-CG1 3.27Å; R875-I879 WeakPolarHBondContact O-CG1 3.27Å; R875-I879 PolarHBondContact O-N 3.37Å |
| 876 | E | 97.6 | Very high | 98 | Very high | 137 Ų | 137 | 96.5 Ų | 96.5 | 64% | 0.64 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.8 | -41.5 | 173.1 | -175.4 | 174 | -147.9 | 0 | 0 | 111.2 | D872 S878 I879 S880 | D872-E876 WeakPolarHBondContact O-CB 3.48Å; D872-E876 PolarHBondContact O-N 3.41Å; E876-S878 PolarHBondContact O-N 3.03Å; E876-I879 PolarHBondContact O-N 3.03Å; E876-S880 VanDerWaalsContact O-CB 3.28Å; E876-S880 WeakPolarHBondContact O-CB 3.46Å; E876-S880 PolarHBondContact O-N 2.94Å; E876-S880 PolarHBondContact O-OG 2.92Å |
| 877 | K | 97.9 | Very high | 98 | Very high | 100 Ų | 100 | 96.4 Ų | 96.4 | 44% | 0.435 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.1 | -36.9 | 172.8 | -75.9 | 167.5 | -175.8 | 175.9 | 0 | 113.4 | E873 S880 H881 | E873-K877 VanDerWaalsContact CD-CE 3.42Å; E873-K877 HydrophobicContact CG-CD 4.48Å; E873-K877 WeakPolarHBondContact O-CB 3.33Å; E873-K877 WeakPolarHBondContact O-CD 3.28Å; E873-K877 WeakPolarHBondContact O-CG 3.31Å; E873-K877 PolarHBondContact O-N 3.01Å; E873-K877 WeakPolarHBondContact OE1-CE 3.37Å; E873-K877 IonicContact OE1-NZ 3.3Å; E873-K877 PolarHBondContact OE1-NZ 2.95Å; E873-K877 WeakPolarHBondContact OE2-CE 3.49Å; E873-K877 IonicContact OE2-NZ 2.67Å; E873-K877 PolarHBondContact OE2-NZ 3.29Å; K877-S880 WeakPolarHBondContact CA-OG 3.39Å; K877-S880 PolarHBondContact O-OG 2.95Å; K877-H881 WeakPolarHBondContact O-CB 3.44Å; K877-H881 PolarHBondContact O-N 2.66Å; K877-H881 VanDerWaalsContact O-N 3.07Å |
| 878 | S | 97.7 | Very high | 98 | Very high | 71 Ų | 71 | 96.8 Ų | 96.8 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.4 | -40.4 | 177.5 | 68.5 | 0 | 0 | 0 | 0 | 112.5 | Q874 R875 E876 Q882 | Q874-S878 PolarHBondContact O-N 2.94Å; Q874-S878 PolarHBondContact O-OG 3.33Å; R875-S878 PolarHBondContact O-N 3.46Å; R875-S878 PolarHBondContact O-OG 2.96Å; E876-S878 PolarHBondContact O-N 3.03Å; S878-Q882 PolarHBondContact O-N 3.1Å |
| 879 | I | 98.2 | Very high | 98.1 | Very high | 93 Ų | 93 | 97.4 Ų | 97.4 | 48% | 0.477 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -51 | 174.9 | -67.6 | 164.2 | 0 | 0 | 0 | 110.5 | R875 E876 H881 Q882 T883 | R875-I879 HydrophobicContact CG-CD1 4.2Å; R875-I879 WeakPolarHBondContact O-CB 3.2Å; R875-I879 VanDerWaalsContact O-CG1 3.27Å; R875-I879 WeakPolarHBondContact O-CG1 3.27Å; R875-I879 PolarHBondContact O-N 3.37Å; E876-I879 PolarHBondContact O-N 3.03Å; I879-H881 VanDerWaalsContact C-N 3.31Å; I879-H881 PolarHBondContact O-N 3.13Å; I879-Q882 WeakPolarHBondContact O-CB 3.44Å; I879-Q882 PolarHBondContact O-N 2.97Å; I879-T883 PolarHBondContact O-N 3.35Å; I879-T883 PolarHBondContact O-OG1 3.34Å |
| 880 | S | 97.6 | Very high | 98.1 | Very high | 58 Ų | 58 | 97 Ų | 97 | 41% | 0.406 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.2 | -36.8 | 179.4 | 53.5 | 0 | 0 | 0 | 0 | 112.1 | E876 K877 T883 V884 | E876-S880 VanDerWaalsContact O-CB 3.28Å; E876-S880 WeakPolarHBondContact O-CB 3.46Å; E876-S880 PolarHBondContact O-N 2.94Å; E876-S880 PolarHBondContact O-OG 2.92Å; K877-S880 WeakPolarHBondContact CA-OG 3.39Å; K877-S880 PolarHBondContact O-OG 2.95Å; S880-T883 PolarHBondContact O-N 2.91Å; S880-V884 WeakPolarHBondContact O-CG2 3.4Å; S880-V884 PolarHBondContact O-N 3.44Å |
| 881 | H | 98.4 | Very high | 98.1 | Very high | 114 Ų | 114 | 99 Ų | 99 | 53% | 0.528 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 170.8 | -171.1 | 57.8 | 0 | 0 | 0 | 112.6 | K877 I879 V884 Q885 | K877-H881 WeakPolarHBondContact O-CB 3.44Å; K877-H881 PolarHBondContact O-N 2.66Å; K877-H881 VanDerWaalsContact O-N 3.07Å; I879-H881 VanDerWaalsContact C-N 3.31Å; I879-H881 PolarHBondContact O-N 3.13Å; H881-V884 PolarHBondContact O-N 2.95Å; H881-Q885 PolarHBondContact CD2-NE2 3.38Å; H881-Q885 VanDerWaalsContact CD2-NE2 3.32Å; H881-Q885 PolarHBondContact NE2-NE2 2.9Å; H881-Q885 WeakPolarHBondContact O-CG 3.33Å; H881-Q885 PolarHBondContact O-N 3.49Å |
| 882 | Q | 98.5 | Very high | 98.2 | Very high | 137 Ų | 137 | 99.1 Ų | 99.1 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.5 | -41.5 | 175.4 | -172.7 | 178.8 | 5.3 | 0 | 0 | 111.9 | S878 I879 Q885 Q886 | S878-Q882 PolarHBondContact O-N 3.1Å; I879-Q882 WeakPolarHBondContact O-CB 3.44Å; I879-Q882 PolarHBondContact O-N 2.97Å; Q882-Q885 PolarHBondContact O-N 3.2Å; Q882-Q886 PolarHBondContact O-N 2.76Å |
| 883 | T | 98.4 | Very high | 98.2 | Very high | 76 Ų | 76 | 101.3 Ų | 101.3 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62 | -42.5 | 174.2 | -55.9 | 0 | 0 | 0 | 0 | 111.6 | I879 S880 Q886 L887 | I879-T883 PolarHBondContact O-N 3.35Å; I879-T883 PolarHBondContact O-OG1 3.34Å; S880-T883 PolarHBondContact O-N 2.91Å; T883-Q886 PolarHBondContact O-N 2.89Å; T883-L887 HydrophobicContact CG2-CD1 4.18Å; T883-L887 WeakPolarHBondContact O-CG 3.29Å; T883-L887 PolarHBondContact O-N 2.96Å |
| 884 | V | 98.5 | Very high | 98.3 | Very high | 83 Ų | 83 | 100 Ų | 100 | 50% | 0.503 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 175.6 | 169.4 | 0 | 0 | 0 | 0 | 111.5 | S880 H881 Q886 L887 V888 | S880-V884 WeakPolarHBondContact O-CG2 3.4Å; S880-V884 PolarHBondContact O-N 3.44Å; H881-V884 PolarHBondContact O-N 2.95Å; V884-Q886 VanDerWaalsContact C-N 3.35Å; V884-Q886 PolarHBondContact O-N 3.12Å; V884-L887 PolarHBondContact O-N 3.32Å; V884-V888 WeakPolarHBondContact O-CG2 3.43Å; V884-V888 PolarHBondContact O-N 3.08Å |
| 885 | Q | 98.6 | Very high | 98.3 | Very high | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 173.5 | -73.7 | -177.3 | 17.1 | 0 | 0 | 111.9 | H881 Q882 V888 L889 | H881-Q885 PolarHBondContact CD2-NE2 3.38Å; H881-Q885 VanDerWaalsContact CD2-NE2 3.32Å; H881-Q885 PolarHBondContact NE2-NE2 2.9Å; H881-Q885 WeakPolarHBondContact O-CG 3.33Å; H881-Q885 PolarHBondContact O-N 3.49Å; Q882-Q885 PolarHBondContact O-N 3.2Å; Q885-V888 PolarHBondContact O-N 2.78Å; Q885-L889 WeakPolarHBondContact O-CG 3.39Å; Q885-L889 PolarHBondContact O-N 2.69Å |
| 886 | Q | 98.6 | Very high | 98.4 | Very high | 116 Ų | 116 | 97.2 Ų | 97.2 | 54% | 0.542 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -45.1 | 177.8 | -176.9 | 59.7 | 44.6 | 0 | 0 | 112 | Q882 T883 V884 V888 L889 E890 | Q882-Q886 PolarHBondContact O-N 2.76Å; T883-Q886 PolarHBondContact O-N 2.89Å; V884-Q886 VanDerWaalsContact C-N 3.35Å; V884-Q886 PolarHBondContact O-N 3.12Å; Q886-V888 VanDerWaalsContact C-N 3.32Å; Q886-V888 PolarHBondContact O-N 2.73Å; Q886-L889 PolarHBondContact O-N 3.34Å; Q886-E890 WeakPolarHBondContact O-CB 3.46Å; Q886-E890 PolarHBondContact O-N 3.49Å |
| 887 | L | 98.6 | Very high | 98.4 | Very high | 100 Ų | 100 | 94.6 Ų | 94.6 | 52% | 0.524 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -30.6 | 176.9 | -70.4 | 170.5 | 0 | 0 | 0 | 112.9 | T883 V884 K891 | T883-L887 HydrophobicContact CG2-CD1 4.18Å; T883-L887 WeakPolarHBondContact O-CG 3.29Å; T883-L887 PolarHBondContact O-N 2.96Å; V884-L887 PolarHBondContact O-N 3.32Å; L887-K891 VanDerWaalsContact O-CB 3.28Å; L887-K891 WeakPolarHBondContact O-CB 3.19Å; L887-K891 PolarHBondContact O-N 2.94Å |
| 888 | V | 98.6 | Very high | 98.5 | Very high | 66 Ų | 66 | 94.3 Ų | 94.3 | 40% | 0.4 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 172.1 | 167.3 | 0 | 0 | 0 | 0 | 110.8 | V884 Q885 Q886 E890 K891 E892 | V884-V888 WeakPolarHBondContact O-CG2 3.43Å; V884-V888 PolarHBondContact O-N 3.08Å; Q885-V888 PolarHBondContact O-N 2.78Å; Q886-V888 VanDerWaalsContact C-N 3.32Å; Q886-V888 PolarHBondContact O-N 2.73Å; V888-E890 PolarHBondContact O-N 3.1Å; V888-K891 PolarHBondContact O-N 2.69Å; V888-E892 WeakPolarHBondContact O-CB 3.48Å; V888-E892 WeakPolarHBondContact O-CG 3.43Å; V888-E892 PolarHBondContact O-N 3.2Å |
| 889 | L | 98.5 | Very high | 98.5 | Very high | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.1 | -39.8 | 177 | -68 | 172.5 | 0 | 0 | 0 | 112.2 | Q885 Q886 E892 Q893 | Q885-L889 WeakPolarHBondContact O-CG 3.39Å; Q885-L889 PolarHBondContact O-N 2.69Å; Q886-L889 PolarHBondContact O-N 3.34Å; L889-E892 PolarHBondContact O-N 2.89Å; L889-Q893 WeakPolarHBondContact O-CB 3.25Å; L889-Q893 PolarHBondContact O-N 3.4Å |
| 890 | E | 98.4 | Very high | 98.5 | Very high | 120 Ų | 120 | 93.1 Ų | 93.1 | 56% | 0.561 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -64.3 | -42 | 175.3 | -172.8 | 174.4 | 175.9 | 0 | 0 | 111.9 | Q886 V888 Q893 A894 | Q886-E890 WeakPolarHBondContact O-CB 3.46Å; Q886-E890 PolarHBondContact O-N 3.49Å; V888-E890 PolarHBondContact O-N 3.1Å; E890-Q893 PolarHBondContact O-N 2.91Å; E890-A894 WeakPolarHBondContact O-CB 3.41Å; E890-A894 PolarHBondContact O-N 3.45Å |
| 891 | K | 98.6 | Very high | 98.6 | Very high | 139 Ų | 139 | 94.6 Ų | 94.6 | 60% | 0.604 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 172 | 178.2 | -168.7 | 171 | -170.6 | 0 | 112.1 | L887 V888 Q893 A894 L895 | L887-K891 VanDerWaalsContact O-CB 3.28Å; L887-K891 WeakPolarHBondContact O-CB 3.19Å; L887-K891 PolarHBondContact O-N 2.94Å; V888-K891 PolarHBondContact O-N 2.69Å; K891-Q893 VanDerWaalsContact C-N 3.34Å; K891-A894 PolarHBondContact O-N 3.26Å; K891-L895 HydrophobicContact CG-CD1 4.12Å; K891-L895 WeakPolarHBondContact O-CB 3.42Å; K891-L895 VanDerWaalsContact O-CG 3.31Å; K891-L895 WeakPolarHBondContact O-CG 3.45Å; K891-L895 PolarHBondContact O-N 2.91Å |
| 892 | E | 98.6 | Very high | 98.6 | Very high | 115 Ų | 115 | 93.7 Ų | 93.7 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.7 | -39.3 | 179.1 | -76 | 177.4 | -179 | 0 | 0 | 111.6 | V888 L889 L895 A896 | V888-E892 WeakPolarHBondContact O-CB 3.48Å; V888-E892 WeakPolarHBondContact O-CG 3.43Å; V888-E892 PolarHBondContact O-N 3.2Å; L889-E892 PolarHBondContact O-N 2.89Å; E892-L895 PolarHBondContact O-N 2.82Å; E892-A896 PolarHBondContact O-N 3.19Å |
| 893 | Q | 98.7 | Very high | 98.6 | Very high | 109 Ų | 109 | 93.6 Ų | 93.6 | 51% | 0.509 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -50.8 | 171.6 | -179.1 | 59.1 | 49.4 | 0 | 0 | 111.4 | L889 E890 K891 L895 A896 D897 | L889-Q893 WeakPolarHBondContact O-CB 3.25Å; L889-Q893 PolarHBondContact O-N 3.4Å; E890-Q893 PolarHBondContact O-N 2.91Å; K891-Q893 VanDerWaalsContact C-N 3.34Å; Q893-L895 VanDerWaalsContact C-N 3.28Å; Q893-L895 PolarHBondContact O-N 3.23Å; Q893-A896 WeakPolarHBondContact O-CB 3.5Å; Q893-A896 PolarHBondContact O-N 2.88Å; Q893-D897 PolarHBondContact NE2-OD1 3.38Å; Q893-D897 VanDerWaalsContact NE2-OD1 3.1Å; Q893-D897 PolarHBondContact NE2-OD2 3.09Å; Q893-D897 PolarHBondContact O-N 3.31Å |
| 894 | A | 98.6 | Very high | 98.6 | Very high | 58 Ų | 58 | 93.2 Ų | 93.2 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.4 | -35.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | E890 K891 L898 | E890-A894 WeakPolarHBondContact O-CB 3.41Å; E890-A894 PolarHBondContact O-N 3.45Å; K891-A894 PolarHBondContact O-N 3.26Å; A894-L898 WeakPolarHBondContact O-CB 3.26Å; A894-L898 PolarHBondContact O-N 3.46Å |
| 895 | L | 98.6 | Very high | 98.6 | Very high | 92 Ų | 92 | 93.2 Ų | 93.2 | 48% | 0.482 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -69.4 | -37.1 | 173.1 | -73.5 | 170.8 | 0 | 0 | 0 | 112.5 | K891 E892 Q893 N899 | K891-L895 HydrophobicContact CG-CD1 4.12Å; K891-L895 WeakPolarHBondContact O-CB 3.42Å; K891-L895 VanDerWaalsContact O-CG 3.31Å; K891-L895 WeakPolarHBondContact O-CG 3.45Å; K891-L895 PolarHBondContact O-N 2.91Å; E892-L895 PolarHBondContact O-N 2.82Å; Q893-L895 VanDerWaalsContact C-N 3.28Å; Q893-L895 PolarHBondContact O-N 3.23Å; L895-N899 VanDerWaalsContact O-CB 3.29Å; L895-N899 WeakPolarHBondContact O-CB 3.48Å; L895-N899 PolarHBondContact O-N 3.4Å |
| 896 | A | 98.7 | Very high | 98.6 | Very high | 55 Ų | 55 | 90.7 Ų | 90.7 | 46% | 0.455 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | E892 Q893 N899 S900 | E892-A896 PolarHBondContact O-N 3.19Å; Q893-A896 WeakPolarHBondContact O-CB 3.5Å; Q893-A896 PolarHBondContact O-N 2.88Å; A896-N899 PolarHBondContact O-N 2.89Å; A896-S900 PolarHBondContact O-N 2.74Å |
| 897 | D | 98.6 | Very high | 98.6 | Very high | 83 Ų | 83 | 87.6 Ų | 87.6 | 44% | 0.444 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -68.6 | -44.9 | 177.5 | -68.7 | -36 | 0 | 0 | 0 | 111.9 | Q893 N899 S900 V901 | Q893-D897 PolarHBondContact NE2-OD1 3.38Å; Q893-D897 VanDerWaalsContact NE2-OD1 3.1Å; Q893-D897 PolarHBondContact NE2-OD2 3.09Å; Q893-D897 PolarHBondContact O-N 3.31Å; D897-N899 VanDerWaalsContact C-N 3.3Å; D897-N899 PolarHBondContact O-N 2.75Å; D897-S900 WeakPolarHBondContact O-CA 3.28Å; D897-S900 VanDerWaalsContact O-CB 3.26Å; D897-S900 WeakPolarHBondContact O-CB 3.23Å; D897-S900 PolarHBondContact O-N 2.83Å; D897-S900 VanDerWaalsContact O-N 3.08Å; D897-V901 WeakPolarHBondContact O-CG2 3.5Å; D897-V901 PolarHBondContact O-N 3.26Å |
| 898 | L | 98.6 | Very high | 98.6 | Very high | 93 Ų | 93 | 87.6 Ų | 87.6 | 49% | 0.487 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -54.1 | -48.4 | 171.2 | 175 | 60.8 | 0 | 0 | 0 | 110.9 | A894 S900 V901 E902 | A894-L898 WeakPolarHBondContact O-CB 3.26Å; A894-L898 PolarHBondContact O-N 3.46Å; L898-S900 VanDerWaalsContact C-N 3.25Å; L898-S900 PolarHBondContact O-N 3.28Å; L898-V901 WeakPolarHBondContact O-CB 3.4Å; L898-V901 PolarHBondContact O-N 2.73Å; L898-V901 VanDerWaalsContact O-N 3.12Å; L898-E902 HydrophobicContact CD1-CG 4.49Å; L898-E902 WeakPolarHBondContact O-CG 3.49Å; L898-E902 PolarHBondContact O-N 2.92Å |
| 899 | N | 98.6 | Very high | 98.6 | Very high | 66 Ų | 66 | 90.4 Ų | 90.4 | 35% | 0.353 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.3 | -22.9 | -179.7 | -167.6 | -111.7 | 0 | 0 | 0 | 113.4 | L895 A896 D897 E902 K903 | L895-N899 VanDerWaalsContact O-CB 3.29Å; L895-N899 WeakPolarHBondContact O-CB 3.48Å; L895-N899 PolarHBondContact O-N 3.4Å; A896-N899 PolarHBondContact O-N 2.89Å; D897-N899 VanDerWaalsContact C-N 3.3Å; D897-N899 PolarHBondContact O-N 2.75Å; N899-E902 WeakPolarHBondContact CA-OE2 3.45Å; N899-E902 PolarHBondContact ND2-OE2 3.19Å; N899-K903 VanDerWaalsContact O-CD 3.28Å; N899-K903 WeakPolarHBondContact O-CD 3.49Å; N899-K903 VanDerWaalsContact O-CG 3.23Å; N899-K903 WeakPolarHBondContact O-CG 3.4Å; N899-K903 PolarHBondContact O-N 3.09Å; N899-K903 WeakPolarHBondContact OD1-CE 3.46Å; N899-K903 PolarHBondContact OD1-NZ 2.88Å |
| 900 | S | 98.8 | Very high | 98.7 | Very high | 73 Ų | 73 | 93.3 Ų | 93.3 | 51% | 0.51 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.5 | -45.4 | 168.7 | -164.6 | 0 | 0 | 0 | 0 | 111.4 | A896 D897 L898 K903 S904 | A896-S900 PolarHBondContact O-N 2.74Å; D897-S900 WeakPolarHBondContact O-CA 3.28Å; D897-S900 VanDerWaalsContact O-CB 3.26Å; D897-S900 WeakPolarHBondContact O-CB 3.23Å; D897-S900 PolarHBondContact O-N 2.83Å; D897-S900 VanDerWaalsContact O-N 3.08Å; L898-S900 VanDerWaalsContact C-N 3.25Å; L898-S900 PolarHBondContact O-N 3.28Å; S900-K903 PolarHBondContact O-N 3.19Å; S900-S904 PolarHBondContact O-N 3.43Å |
| 901 | V | 98.8 | Very high | 98.7 | Very high | 89 Ų | 89 | 94.8 Ų | 94.8 | 54% | 0.539 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 174.2 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | D897 L898 K903 S904 L905 | D897-V901 WeakPolarHBondContact O-CG2 3.5Å; D897-V901 PolarHBondContact O-N 3.26Å; L898-V901 WeakPolarHBondContact O-CB 3.4Å; L898-V901 PolarHBondContact O-N 2.73Å; L898-V901 VanDerWaalsContact O-N 3.12Å; V901-K903 VanDerWaalsContact C-N 3.34Å; V901-K903 PolarHBondContact O-N 3.45Å; V901-S904 PolarHBondContact O-N 3.44Å; V901-S904 VanDerWaalsContact O-N 3.1Å; V901-S904 PolarHBondContact O-OG 2.72Å; V901-L905 WeakPolarHBondContact O-CB 3.5Å; V901-L905 PolarHBondContact O-N 2.71Å |
| 902 | E | 98.6 | Very high | 98.7 | Very high | 95 Ų | 95 | 94.7 Ų | 94.7 | 44% | 0.444 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -53 | -47.3 | 175.7 | -71.2 | 173.3 | 157.3 | 0 | 0 | 112.4 | L898 N899 L905 A906 | L898-E902 HydrophobicContact CD1-CG 4.49Å; L898-E902 WeakPolarHBondContact O-CG 3.49Å; L898-E902 PolarHBondContact O-N 2.92Å; N899-E902 WeakPolarHBondContact CA-OE2 3.45Å; N899-E902 PolarHBondContact ND2-OE2 3.19Å; E902-L905 PolarHBondContact O-N 3.5Å; E902-A906 WeakPolarHBondContact O-CB 3.47Å; E902-A906 PolarHBondContact O-N 2.85Å |
| 903 | K | 98.6 | Very high | 98.7 | Very high | 136 Ų | 136 | 93.6 Ų | 93.6 | 59% | 0.591 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -62.2 | -43.6 | 176.5 | -76 | 163.1 | 179.8 | 149.8 | 0 | 112.1 | N899 S900 V901 L905 A906 D907 | N899-K903 VanDerWaalsContact O-CD 3.28Å; N899-K903 WeakPolarHBondContact O-CD 3.49Å; N899-K903 VanDerWaalsContact O-CG 3.23Å; N899-K903 WeakPolarHBondContact O-CG 3.4Å; N899-K903 PolarHBondContact O-N 3.09Å; N899-K903 WeakPolarHBondContact OD1-CE 3.46Å; N899-K903 PolarHBondContact OD1-NZ 2.88Å; S900-K903 PolarHBondContact O-N 3.19Å; V901-K903 VanDerWaalsContact C-N 3.34Å; V901-K903 PolarHBondContact O-N 3.45Å; K903-L905 VanDerWaalsContact C-N 3.34Å; K903-A906 PolarHBondContact O-N 2.88Å; K903-D907 PolarHBondContact O-N 2.94Å; K903-D907 VanDerWaalsContact O-N 3.09Å |
| 904 | S | 98.6 | Very high | 98.7 | Very high | 68 Ų | 68 | 95.3 Ų | 95.3 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65 | -38.2 | 178.7 | 78.7 | 0 | 0 | 0 | 0 | 112.2 | S900 V901 D907 L908 | S900-S904 PolarHBondContact O-N 3.43Å; V901-S904 PolarHBondContact O-N 3.44Å; V901-S904 VanDerWaalsContact O-N 3.1Å; V901-S904 PolarHBondContact O-OG 2.72Å; S904-D907 PolarHBondContact O-N 3.18Å; S904-L908 WeakPolarHBondContact O-CB 3.46Å; S904-L908 PolarHBondContact O-N 2.88Å |
| 905 | L | 98.7 | Very high | 98.7 | Very high | 82 Ų | 82 | 98 Ų | 98 | 43% | 0.429 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -44 | 178.1 | 179.4 | 62 | 0 | 0 | 0 | 111.2 | V901 E902 K903 D907 L908 F909 | V901-L905 WeakPolarHBondContact O-CB 3.5Å; V901-L905 PolarHBondContact O-N 2.71Å; E902-L905 PolarHBondContact O-N 3.5Å; K903-L905 VanDerWaalsContact C-N 3.34Å; L905-D907 VanDerWaalsContact C-N 3.28Å; L905-D907 PolarHBondContact O-N 2.93Å; L905-L908 WeakPolarHBondContact O-CB 3.16Å; L905-L908 PolarHBondContact O-N 3.11Å; L905-F909 HydrophobicContact CD1-CD2 4.01Å; L905-F909 HydrophobicContact CD1-CE2 3.57Å; L905-F909 HydrophobicContact CD1-CZ 4.25Å; L905-F909 HydrophobicContact CD2-CE2 4.2Å; L905-F909 HydrophobicContact CG-CD2 3.94Å; L905-F909 HydrophobicContact CG-CE2 3.66Å; L905-F909 VanDerWaalsContact O-CD2 3.25Å; L905-F909 WeakPolarHBondContact O-CD2 3.34Å; L905-F909 PolarHBondContact O-N 3.19Å |
| 906 | A | 98.7 | Very high | 98.7 | Very high | 50 Ų | 50 | 98.2 Ų | 98.2 | 41% | 0.413 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -61.5 | -35.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | E902 K903 R910 | E902-A906 WeakPolarHBondContact O-CB 3.47Å; E902-A906 PolarHBondContact O-N 2.85Å; K903-A906 PolarHBondContact O-N 2.88Å; A906-R910 WeakPolarHBondContact O-CB 2.98Å; A906-R910 PolarHBondContact O-N 3.09Å; A906-R910 VanDerWaalsContact O-N 3.13Å |
| 907 | D | 98.6 | Very high | 98.7 | Very high | 51 Ų | 51 | 102.2 Ų | 102.2 | 27% | 0.273 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -76.4 | -32.9 | 173.5 | -172.2 | 70 | 0 | 0 | 0 | 113.4 | K903 S904 L905 R910 R911 | K903-D907 PolarHBondContact O-N 2.94Å; K903-D907 VanDerWaalsContact O-N 3.09Å; S904-D907 PolarHBondContact O-N 3.18Å; L905-D907 VanDerWaalsContact C-N 3.28Å; L905-D907 PolarHBondContact O-N 2.93Å; D907-R910 PolarHBondContact O-N 3.45Å; D907-R910 IonicContact OD1-CZ 2.73Å; D907-R910 IonicContact OD1-NH1 3.19Å; D907-R910 PolarHBondContact OD1-NH1 2.94Å; D907-R911 WeakPolarHBondContact O-CB 3.43Å; D907-R911 PolarHBondContact O-N 2.98Å; D907-R911 IonicContact OD2-CZ 3.14Å; D907-R911 IonicContact OD2-NE 2.74Å; D907-R911 PolarHBondContact OD2-NE 3.03Å; D907-R911 IonicContact OD2-NH2 3.91Å; D907-R911 PolarHBondContact OD2-NH2 3.15Å |
| 908 | L | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 101.4 Ų | 101.4 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -46.4 | 170.9 | 179.4 | 61.2 | 0 | 0 | 0 | 111.1 | S904 L905 R910 R911 Y912 | S904-L908 WeakPolarHBondContact O-CB 3.46Å; S904-L908 PolarHBondContact O-N 2.88Å; L905-L908 WeakPolarHBondContact O-CB 3.16Å; L905-L908 PolarHBondContact O-N 3.11Å; L908-R910 VanDerWaalsContact C-N 3.34Å; L908-R910 PolarHBondContact O-N 3.33Å; L908-R911 PolarHBondContact O-N 3.5Å; L908-Y912 WeakPolarHBondContact O-CB 3.33Å; L908-Y912 PolarHBondContact O-N 3.01Å |
| 909 | F | 98.8 | Very high | 98.7 | Very high | 125 Ų | 125 | 101.7 Ų | 101.7 | 55% | 0.548 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -42.2 | 173.4 | -79.7 | -60.6 | 0 | 0 | 0 | 112.2 | L905 R911 Y912 E913 | L905-F909 HydrophobicContact CD1-CD2 4.01Å; L905-F909 HydrophobicContact CD1-CE2 3.57Å; L905-F909 HydrophobicContact CD1-CZ 4.25Å; L905-F909 HydrophobicContact CD2-CE2 4.2Å; L905-F909 HydrophobicContact CG-CD2 3.94Å; L905-F909 HydrophobicContact CG-CE2 3.66Å; L905-F909 VanDerWaalsContact O-CD2 3.25Å; L905-F909 WeakPolarHBondContact O-CD2 3.34Å; L905-F909 PolarHBondContact O-N 3.19Å; F909-R911 PolarHBondContact O-N 3.36Å; F909-Y912 PolarHBondContact O-N 3.21Å; F909-E913 PolarHBondContact O-N 3.28Å |
| 910 | R | 98.9 | Very high | 98.7 | Very high | 160 Ų | 160 | 101.4 Ų | 101.4 | 60% | 0.604 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 175.2 | -171.6 | -171.2 | -62.1 | 120.4 | 1.7 | 112.3 | A906 D907 L908 K914 | A906-R910 WeakPolarHBondContact O-CB 2.98Å; A906-R910 PolarHBondContact O-N 3.09Å; A906-R910 VanDerWaalsContact O-N 3.13Å; D907-R910 PolarHBondContact O-N 3.45Å; D907-R910 IonicContact OD1-CZ 2.73Å; D907-R910 IonicContact OD1-NH1 3.19Å; D907-R910 PolarHBondContact OD1-NH1 2.94Å; L908-R910 VanDerWaalsContact C-N 3.34Å; L908-R910 PolarHBondContact O-N 3.33Å; R910-K914 WeakPolarHBondContact O-CB 3.46Å; R910-K914 PolarHBondContact O-N 3.16Å |
| 911 | R | 98.7 | Very high | 98.7 | Very high | 151 Ų | 151 | 99.8 Ų | 99.8 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -68.3 | -38.9 | 174.9 | -80.6 | -175.7 | -89.2 | 156.3 | -5.2 | 112.2 | D907 L908 F909 K914 M915 | D907-R911 WeakPolarHBondContact O-CB 3.43Å; D907-R911 PolarHBondContact O-N 2.98Å; D907-R911 IonicContact OD2-CZ 3.14Å; D907-R911 IonicContact OD2-NE 2.74Å; D907-R911 PolarHBondContact OD2-NE 3.03Å; D907-R911 IonicContact OD2-NH2 3.91Å; D907-R911 PolarHBondContact OD2-NH2 3.15Å; L908-R911 PolarHBondContact O-N 3.5Å; F909-R911 PolarHBondContact O-N 3.36Å; R911-K914 PolarHBondContact O-N 3.46Å; R911-M915 WeakPolarHBondContact O-CB 3.38Å; R911-M915 PolarHBondContact O-N 3.05Å |
| 912 | Y | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 101.8 Ų | 101.8 | 54% | 0.541 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.6 | -51.1 | 176.5 | 176.1 | -94.6 | 0 | 0 | 0 | 112 | L908 F909 K914 M915 K916 | L908-Y912 WeakPolarHBondContact O-CB 3.33Å; L908-Y912 PolarHBondContact O-N 3.01Å; F909-Y912 PolarHBondContact O-N 3.21Å; Y912-K914 VanDerWaalsContact C-N 3.28Å; Y912-K914 PolarHBondContact O-N 3.31Å; Y912-M915 WeakPolarHBondContact O-CB 3.31Å; Y912-M915 PolarHBondContact O-N 3.38Å; Y912-M915 VanDerWaalsContact O-N 3.09Å; Y912-K916 HydrophobicContact CE1-CD 3.92Å; Y912-K916 WeakPolarHBondContact O-CB 3.45Å; Y912-K916 PolarHBondContact O-N 2.88Å |
| 913 | E | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 102.7 Ų | 102.7 | 43% | 0.425 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 178.5 | -73.1 | -62.1 | 130.4 | 0 | 0 | 112 | F909 K916 E917 | F909-E913 PolarHBondContact O-N 3.28Å; E913-K916 WeakPolarHBondContact O-CB 3.47Å; E913-K916 PolarHBondContact O-N 2.91Å; E913-K916 WeakPolarHBondContact OE1-CD 3.4Å; E913-K916 IonicContact OE1-NZ 3.84Å; E913-K916 PolarHBondContact OE1-NZ 2.67Å; E913-K916 IonicContact OE2-NZ 2.71Å; E913-K916 PolarHBondContact OE2-NZ 2.89Å; E913-E917 PolarHBondContact O-N 3.4Å |
| 914 | K | 98.8 | Very high | 98.7 | Very high | 145 Ų | 145 | 101.5 Ų | 101.5 | 63% | 0.63 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.6 | -39.7 | 172.2 | -171 | 176.1 | -179.7 | 178.2 | 0 | 112.9 | R910 R911 Y912 K916 E917 V918 | R910-K914 WeakPolarHBondContact O-CB 3.46Å; R910-K914 PolarHBondContact O-N 3.16Å; R911-K914 PolarHBondContact O-N 3.46Å; Y912-K914 VanDerWaalsContact C-N 3.28Å; Y912-K914 PolarHBondContact O-N 3.31Å; K914-K916 VanDerWaalsContact C-N 3.35Å; K914-E917 PolarHBondContact O-N 3.39Å; K914-V918 WeakPolarHBondContact O-CG2 3.44Å; K914-V918 PolarHBondContact O-N 2.93Å; K914-V918 VanDerWaalsContact O-N 3.09Å |
| 915 | M | 98.7 | Very high | 98.7 | Very high | 115 Ų | 115 | 102.4 Ų | 102.4 | 57% | 0.567 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64 | -42.7 | 174.6 | -177.8 | 62.7 | 77.4 | 0 | 0 | 111 | R911 Y912 V918 L919 | R911-M915 WeakPolarHBondContact O-CB 3.38Å; R911-M915 PolarHBondContact O-N 3.05Å; Y912-M915 WeakPolarHBondContact O-CB 3.31Å; Y912-M915 PolarHBondContact O-N 3.38Å; Y912-M915 VanDerWaalsContact O-N 3.09Å; M915-V918 PolarHBondContact O-N 3.19Å; M915-L919 HydrophobicContact CG-CD1 4.06Å; M915-L919 HydrophobicContact CG-CG 4.49Å; M915-L919 WeakPolarHBondContact O-CG 3.37Å; M915-L919 PolarHBondContact O-N 3.43Å |
| 916 | K | 98.8 | Very high | 98.7 | Very high | 96 Ų | 96 | 102.9 Ų | 102.9 | 42% | 0.417 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -61.3 | -41.7 | 175.6 | 175.7 | -178 | 165.2 | -151.7 | 0 | 112 | Y912 E913 K914 L919 E920 | Y912-K916 HydrophobicContact CE1-CD 3.92Å; Y912-K916 WeakPolarHBondContact O-CB 3.45Å; Y912-K916 PolarHBondContact O-N 2.88Å; E913-K916 WeakPolarHBondContact O-CB 3.47Å; E913-K916 PolarHBondContact O-N 2.91Å; E913-K916 WeakPolarHBondContact OE1-CD 3.4Å; E913-K916 IonicContact OE1-NZ 3.84Å; E913-K916 PolarHBondContact OE1-NZ 2.67Å; E913-K916 IonicContact OE2-NZ 2.71Å; E913-K916 PolarHBondContact OE2-NZ 2.89Å; K914-K916 VanDerWaalsContact C-N 3.35Å; K916-L919 PolarHBondContact O-N 2.6Å; K916-E920 WeakPolarHBondContact O-CB 3.39Å; K916-E920 PolarHBondContact O-N 2.83Å |
| 917 | E | 98.8 | Very high | 98.7 | Very high | 139 Ų | 139 | 104.7 Ų | 104.7 | 65% | 0.65 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -61.2 | -41.8 | 171.5 | -175.9 | -178.5 | -155.6 | 0 | 0 | 112.4 | E913 K914 E920 G921 | E913-E917 PolarHBondContact O-N 3.4Å; K914-E917 PolarHBondContact O-N 3.39Å; E917-E920 WeakPolarHBondContact O-CB 3.23Å; E917-E920 PolarHBondContact O-N 3.4Å; E917-G921 PolarHBondContact O-N 3.43Å |
| 918 | V | 98.8 | Very high | 98.7 | Very high | 66 Ų | 66 | 106.1 Ų | 106.1 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.6 | -43.2 | 177 | 168.4 | 0 | 0 | 0 | 0 | 111.8 | K914 M915 G921 F922 | K914-V918 WeakPolarHBondContact O-CG2 3.44Å; K914-V918 PolarHBondContact O-N 2.93Å; K914-V918 VanDerWaalsContact O-N 3.09Å; M915-V918 PolarHBondContact O-N 3.19Å; V918-G921 PolarHBondContact O-N 2.89Å; V918-F922 HydrophobicContact CG1-CD2 3.86Å; V918-F922 HydrophobicContact CG1-CE2 3.42Å; V918-F922 VanDerWaalsContact CG1-CE2 3.42Å; V918-F922 HydrophobicContact CG1-CZ 4.21Å; V918-F922 VanDerWaalsContact O-CD2 3.31Å; V918-F922 WeakPolarHBondContact O-CD2 3.31Å; V918-F922 PolarHBondContact O-N 2.87Å |
| 919 | L | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 106.4 Ų | 106.4 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -39 | 175.3 | -69.9 | 168.9 | 0 | 0 | 0 | 112.2 | M915 K916 G921 F922 R923 | M915-L919 HydrophobicContact CG-CD1 4.06Å; M915-L919 HydrophobicContact CG-CG 4.49Å; M915-L919 WeakPolarHBondContact O-CG 3.37Å; M915-L919 PolarHBondContact O-N 3.43Å; K916-L919 PolarHBondContact O-N 2.6Å; L919-G921 VanDerWaalsContact C-N 3.31Å; L919-G921 PolarHBondContact O-N 3.39Å; L919-F922 PolarHBondContact O-N 3.48Å; L919-R923 PolarHBondContact O-N 3.12Å |
| 920 | E | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 106.3 Ų | 106.3 | 29% | 0.285 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.9 | -39.5 | 171.5 | 180 | 65.3 | -149 | 0 | 0 | 111.6 | K916 E917 R923 K924 | K916-E920 WeakPolarHBondContact O-CB 3.39Å; K916-E920 PolarHBondContact O-N 2.83Å; E917-E920 WeakPolarHBondContact O-CB 3.23Å; E917-E920 PolarHBondContact O-N 3.4Å; E920-R923 IonicContact OE1-NH1 2.7Å; E920-R923 PolarHBondContact OE1-NH1 3.08Å; E920-R923 IonicContact OE2-CZ 3.91Å; E920-R923 IonicContact OE2-NH1 3.87Å; E920-R923 PolarHBondContact OE2-NH1 3.2Å; E920-R923 IonicContact OE2-NH2 2.85Å; E920-R923 PolarHBondContact OE2-NH2 3.28Å; E920-K924 VanDerWaalsContact CG-NZ 3.3Å; E920-K924 WeakPolarHBondContact O-CG 3.39Å; E920-K924 PolarHBondContact O-N 3.38Å; E920-K924 WeakPolarHBondContact OE1-CE 3.42Å; E920-K924 IonicContact OE1-NZ 3.63Å; E920-K924 PolarHBondContact OE1-NZ 3.04Å |
| 921 | G | 98.8 | Very high | 98.7 | Very high | 38 Ų | 38 | 104.2 Ų | 104.2 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | E917 V918 L919 K924 N925 | E917-G921 PolarHBondContact O-N 3.43Å; V918-G921 PolarHBondContact O-N 2.89Å; L919-G921 VanDerWaalsContact C-N 3.31Å; L919-G921 PolarHBondContact O-N 3.39Å; G921-K924 PolarHBondContact O-N 3.02Å; G921-N925 PolarHBondContact O-N 3.11Å |
| 922 | F | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 99.5 Ų | 99.5 | 58% | 0.575 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.4 | -41 | 176 | -74.1 | -52.4 | 0 | 0 | 0 | 112.6 | V918 L919 K924 N925 E926 | V918-F922 HydrophobicContact CG1-CD2 3.86Å; V918-F922 HydrophobicContact CG1-CE2 3.42Å; V918-F922 VanDerWaalsContact CG1-CE2 3.42Å; V918-F922 HydrophobicContact CG1-CZ 4.21Å; V918-F922 VanDerWaalsContact O-CD2 3.31Å; V918-F922 WeakPolarHBondContact O-CD2 3.31Å; V918-F922 PolarHBondContact O-N 2.87Å; L919-F922 PolarHBondContact O-N 3.48Å; F922-K924 VanDerWaalsContact C-N 3.35Å; F922-K924 PolarHBondContact O-N 3.45Å; F922-N925 WeakPolarHBondContact O-CB 3.13Å; F922-N925 PolarHBondContact O-N 3.16Å; F922-E926 PolarHBondContact O-N 3.33Å |
| 923 | R | 98.7 | Very high | 98.7 | Very high | 114 Ų | 114 | 95.3 Ų | 95.3 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.6 | -40.6 | 176.6 | -153 | -166.4 | -40.9 | 103.6 | 7.1 | 112.2 | L919 E920 N925 E926 E927 | L919-R923 PolarHBondContact O-N 3.12Å; E920-R923 IonicContact OE1-NH1 2.7Å; E920-R923 PolarHBondContact OE1-NH1 3.08Å; E920-R923 IonicContact OE2-CZ 3.91Å; E920-R923 IonicContact OE2-NH1 3.87Å; E920-R923 PolarHBondContact OE2-NH1 3.2Å; E920-R923 IonicContact OE2-NH2 2.85Å; E920-R923 PolarHBondContact OE2-NH2 3.28Å; R923-N925 VanDerWaalsContact C-N 3.34Å; R923-N925 PolarHBondContact O-N 2.72Å; R923-E926 WeakPolarHBondContact O-CB 3.5Å; R923-E926 PolarHBondContact O-N 3.39Å; R923-E927 PolarHBondContact O-N 2.88Å |
| 924 | K | 98.7 | Very high | 98.7 | Very high | 111 Ų | 111 | 97.2 Ų | 97.2 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.7 | -37.2 | 174.6 | -74.6 | 165.6 | -179.1 | 153.2 | 0 | 112.4 | E920 G921 F922 V928 | E920-K924 VanDerWaalsContact CG-NZ 3.3Å; E920-K924 WeakPolarHBondContact O-CG 3.39Å; E920-K924 PolarHBondContact O-N 3.38Å; E920-K924 WeakPolarHBondContact OE1-CE 3.42Å; E920-K924 IonicContact OE1-NZ 3.63Å; E920-K924 PolarHBondContact OE1-NZ 3.04Å; G921-K924 PolarHBondContact O-N 3.02Å; F922-K924 VanDerWaalsContact C-N 3.35Å; F922-K924 PolarHBondContact O-N 3.45Å; K924-V928 WeakPolarHBondContact O-CG2 3.33Å; K924-V928 PolarHBondContact O-N 3.23Å; K924-V928 VanDerWaalsContact O-N 3.11Å |
| 925 | N | 98.7 | Very high | 98.7 | Very high | 87 Ų | 87 | 95 Ų | 95 | 47% | 0.465 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.3 | -46.3 | 173.5 | -168.4 | -7.4 | 0 | 0 | 0 | 111 | G921 F922 R923 E927 V928 L929 | G921-N925 PolarHBondContact O-N 3.11Å; F922-N925 WeakPolarHBondContact O-CB 3.13Å; F922-N925 PolarHBondContact O-N 3.16Å; R923-N925 VanDerWaalsContact C-N 3.34Å; R923-N925 PolarHBondContact O-N 2.72Å; N925-E927 VanDerWaalsContact C-N 3.34Å; N925-E927 PolarHBondContact O-N 2.72Å; N925-V928 PolarHBondContact O-N 2.98Å; N925-V928 VanDerWaalsContact O-N 3.12Å; N925-L929 WeakPolarHBondContact O-CG 3.42Å; N925-L929 PolarHBondContact O-N 2.82Å |
| 926 | E | 98.5 | Very high | 98.7 | Very high | 93 Ų | 93 | 96.8 Ų | 96.8 | 44% | 0.435 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.8 | -44.3 | 174.8 | -168.7 | -164.3 | 173.2 | 0 | 0 | 112.2 | F922 R923 V928 L929 K930 | F922-E926 PolarHBondContact O-N 3.33Å; R923-E926 WeakPolarHBondContact O-CB 3.5Å; R923-E926 PolarHBondContact O-N 3.39Å; E926-V928 PolarHBondContact O-N 2.92Å; E926-L929 PolarHBondContact O-N 3.3Å; E926-K930 HydrophobicContact CG-CD 4.36Å; E926-K930 WeakPolarHBondContact O-CB 2.93Å; E926-K930 VanDerWaalsContact O-CG 3.32Å; E926-K930 WeakPolarHBondContact O-CG 3.46Å; E926-K930 PolarHBondContact O-N 2.96Å; E926-K930 WeakPolarHBondContact OE1-CE 3.36Å; E926-K930 IonicContact OE1-NZ 2.69Å; E926-K930 PolarHBondContact OE1-NZ 3.21Å |
| 927 | E | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 98.2 Ų | 98.2 | 41% | 0.411 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.3 | -41.8 | 173.9 | -81.5 | -173.2 | -131.4 | 0 | 0 | 113.4 | R923 N925 K931 | R923-E927 PolarHBondContact O-N 2.88Å; N925-E927 VanDerWaalsContact C-N 3.34Å; N925-E927 PolarHBondContact O-N 2.72Å; E927-K931 WeakPolarHBondContact O-CB 3.33Å; E927-K931 VanDerWaalsContact O-CD 3.31Å; E927-K931 WeakPolarHBondContact O-CD 3.35Å; E927-K931 VanDerWaalsContact O-CG 3.23Å; E927-K931 WeakPolarHBondContact O-CG 3.42Å; E927-K931 PolarHBondContact O-N 3Å; E927-K931 IonicContact OE2-NZ 2.73Å; E927-K931 PolarHBondContact OE2-NZ 3.26Å |
| 928 | V | 98.8 | Very high | 98.7 | Very high | 80 Ų | 80 | 94.4 Ų | 94.4 | 49% | 0.485 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -45.8 | 177.1 | 169 | 0 | 0 | 0 | 0 | 110.2 | K924 N925 E926 K930 K931 C932 | K924-V928 WeakPolarHBondContact O-CG2 3.33Å; K924-V928 PolarHBondContact O-N 3.23Å; K924-V928 VanDerWaalsContact O-N 3.11Å; N925-V928 PolarHBondContact O-N 2.98Å; N925-V928 VanDerWaalsContact O-N 3.12Å; E926-V928 PolarHBondContact O-N 2.92Å; V928-K930 VanDerWaalsContact C-N 3.35Å; V928-K930 PolarHBondContact O-N 3.39Å; V928-K931 PolarHBondContact O-N 2.91Å; V928-C932 PolarHBondContact O-N 2.84Å; V928-C932 PolarHBondContact O-SG 3.17Å |
| 929 | L | 98.8 | Very high | 98.7 | Very high | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.2 | -42.3 | 176.7 | -71.7 | 170.4 | 0 | 0 | 0 | 112 | N925 E926 C932 A933 | N925-L929 WeakPolarHBondContact O-CG 3.42Å; N925-L929 PolarHBondContact O-N 2.82Å; E926-L929 PolarHBondContact O-N 3.3Å; L929-C932 PolarHBondContact O-N 2.86Å; L929-A933 WeakPolarHBondContact O-CB 3.34Å; L929-A933 PolarHBondContact O-N 3.42Å |
| 930 | K | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 98 Ų | 98 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 173.6 | -76.4 | 173.5 | -178.4 | 172 | 0 | 112.1 | E926 V928 A933 Q934 | E926-K930 HydrophobicContact CG-CD 4.36Å; E926-K930 WeakPolarHBondContact O-CB 2.93Å; E926-K930 VanDerWaalsContact O-CG 3.32Å; E926-K930 WeakPolarHBondContact O-CG 3.46Å; E926-K930 PolarHBondContact O-N 2.96Å; E926-K930 WeakPolarHBondContact OE1-CE 3.36Å; E926-K930 IonicContact OE1-NZ 2.69Å; E926-K930 PolarHBondContact OE1-NZ 3.21Å; V928-K930 VanDerWaalsContact C-N 3.35Å; V928-K930 PolarHBondContact O-N 3.39Å; K930-A933 PolarHBondContact O-N 3.47Å; K930-Q934 WeakPolarHBondContact O-CB 3.32Å; K930-Q934 PolarHBondContact O-N 3.43Å |
| 931 | K | 98.8 | Very high | 98.7 | Very high | 116 Ų | 116 | 101.3 Ų | 101.3 | 50% | 0.504 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 176.6 | -71.5 | 159.4 | -168.2 | 158 | 0 | 111.3 | E927 V928 Q934 E935 | E927-K931 WeakPolarHBondContact O-CB 3.33Å; E927-K931 VanDerWaalsContact O-CD 3.31Å; E927-K931 WeakPolarHBondContact O-CD 3.35Å; E927-K931 VanDerWaalsContact O-CG 3.23Å; E927-K931 WeakPolarHBondContact O-CG 3.42Å; E927-K931 PolarHBondContact O-N 3Å; E927-K931 IonicContact OE2-NZ 2.73Å; E927-K931 PolarHBondContact OE2-NZ 3.26Å; V928-K931 PolarHBondContact O-N 2.91Å; K931-Q934 PolarHBondContact O-N 3.28Å; K931-E935 PolarHBondContact O-N 3.28Å |
| 932 | C | 98.7 | Very high | 98.7 | Very high | 52 Ų | 52 | 106.5 Ų | 106.5 | 35% | 0.351 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -46.7 | 175 | -67 | 0 | 0 | 0 | 0 | 112.3 | V928 L929 E935 Y936 | V928-C932 PolarHBondContact O-N 2.84Å; V928-C932 PolarHBondContact O-SG 3.17Å; L929-C932 PolarHBondContact O-N 2.86Å; C932-E935 PolarHBondContact O-N 3.3Å; C932-Y936 HydrophobicContact CB-CE2 4.48Å; C932-Y936 WeakPolarHBondContact O-CD2 3.5Å; C932-Y936 PolarHBondContact O-N 3.43Å |
| 933 | A | 98.8 | Very high | 98.7 | Very high | 51 Ų | 51 | 105.3 Ų | 105.3 | 42% | 0.421 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.9 | -43.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L929 K930 E935 Y936 L937 | L929-A933 WeakPolarHBondContact O-CB 3.34Å; L929-A933 PolarHBondContact O-N 3.42Å; K930-A933 PolarHBondContact O-N 3.47Å; A933-E935 VanDerWaalsContact C-N 3.3Å; A933-E935 PolarHBondContact O-N 3.18Å; A933-Y936 PolarHBondContact O-N 3.37Å; A933-L937 WeakPolarHBondContact O-CG 3.33Å; A933-L937 PolarHBondContact O-N 2.69Å |
| 934 | Q | 98.8 | Very high | 98.7 | Very high | 130 Ų | 130 | 105.9 Ų | 105.9 | 61% | 0.607 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.2 | -36.9 | 174.7 | -172.9 | 179.1 | 12.1 | 0 | 0 | 112.1 | K930 K931 S938 | K930-Q934 WeakPolarHBondContact O-CB 3.32Å; K930-Q934 PolarHBondContact O-N 3.43Å; K931-Q934 PolarHBondContact O-N 3.28Å; Q934-S938 WeakPolarHBondContact O-CB 3.09Å; Q934-S938 PolarHBondContact O-N 2.74Å; Q934-S938 PolarHBondContact O-OG 3.07Å |
| 935 | E | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 106.5 Ų | 106.5 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.8 | -43.9 | 175.1 | -156.1 | -163.9 | 152.3 | 0 | 0 | 111.8 | K931 C932 A933 L937 S938 R939 | K931-E935 PolarHBondContact O-N 3.28Å; C932-E935 PolarHBondContact O-N 3.3Å; A933-E935 VanDerWaalsContact C-N 3.3Å; A933-E935 PolarHBondContact O-N 3.18Å; E935-L937 PolarHBondContact O-N 3.41Å; E935-S938 CarbonylContact O-C 3.6Å; E935-S938 WeakPolarHBondContact O-CA 3.42Å; E935-S938 WeakPolarHBondContact O-CB 3.33Å; E935-S938 PolarHBondContact O-N 3.11Å; E935-S938 VanDerWaalsContact O-N 3.11Å; E935-R939 WeakPolarHBondContact O-CG 3.48Å; E935-R939 PolarHBondContact O-N 2.95Å; E935-R939 IonicContact OE1-CZ 3.81Å; E935-R939 IonicContact OE1-NE 2.6Å; E935-R939 PolarHBondContact OE1-NE 3.1Å; E935-R939 IonicContact OE1-NH2 3.98Å; E935-R939 PolarHBondContact OE1-NH2 2.99Å; E935-R939 IonicContact OE2-NH2 2.6Å |
| 936 | Y | 98.8 | Very high | 98.7 | Very high | 153 Ų | 153 | 110.3 Ų | 110.3 | 60% | 0.6 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.4 | -45.7 | 174.7 | -72.2 | -58.8 | 0 | 0 | 0 | 112.1 | C932 A933 S938 R939 V940 | C932-Y936 HydrophobicContact CB-CE2 4.48Å; C932-Y936 WeakPolarHBondContact O-CD2 3.5Å; C932-Y936 PolarHBondContact O-N 3.43Å; A933-Y936 PolarHBondContact O-N 3.37Å; Y936-S938 VanDerWaalsContact C-N 3.28Å; Y936-S938 PolarHBondContact O-N 3.15Å; Y936-R939 PolarHBondContact O-N 2.88Å; Y936-R939 VanDerWaalsContact O-N 3.17Å; Y936-V940 WeakPolarHBondContact O-CG2 3.27Å; Y936-V940 PolarHBondContact O-N 3.49Å |
| 937 | L | 98.8 | Very high | 98.7 | Very high | 126 Ų | 126 | 113.2 Ų | 113.2 | 66% | 0.66 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -58.8 | -40.1 | 173.4 | -69.5 | 170.8 | 0 | 0 | 0 | 111.9 | A933 E935 K941 | A933-L937 WeakPolarHBondContact O-CG 3.33Å; A933-L937 PolarHBondContact O-N 2.69Å; E935-L937 PolarHBondContact O-N 3.41Å; L937-K941 WeakPolarHBondContact O-CB 3.5Å; L937-K941 PolarHBondContact O-N 3.14Å |
| 938 | S | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 113.5 Ų | 113.5 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.8 | -31.9 | 177.3 | -58.4 | 0 | 0 | 0 | 0 | 113.1 | Q934 E935 Y936 K942 | Q934-S938 WeakPolarHBondContact O-CB 3.09Å; Q934-S938 PolarHBondContact O-N 2.74Å; Q934-S938 PolarHBondContact O-OG 3.07Å; E935-S938 CarbonylContact O-C 3.6Å; E935-S938 WeakPolarHBondContact O-CA 3.42Å; E935-S938 WeakPolarHBondContact O-CB 3.33Å; E935-S938 PolarHBondContact O-N 3.11Å; E935-S938 VanDerWaalsContact O-N 3.11Å; Y936-S938 VanDerWaalsContact C-N 3.28Å; Y936-S938 PolarHBondContact O-N 3.15Å; S938-K942 WeakPolarHBondContact O-CG 3.46Å; S938-K942 PolarHBondContact O-N 3.4Å |
| 939 | R | 98.8 | Very high | 98.7 | Very high | 142 Ų | 142 | 112.7 Ų | 112.7 | 54% | 0.536 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.5 | -48.1 | 173.7 | -70.8 | 171.2 | 179.2 | -149.5 | 7.8 | 110.9 | E935 Y936 K941 K942 E943 | E935-R939 WeakPolarHBondContact O-CG 3.48Å; E935-R939 PolarHBondContact O-N 2.95Å; E935-R939 IonicContact OE1-CZ 3.81Å; E935-R939 IonicContact OE1-NE 2.6Å; E935-R939 PolarHBondContact OE1-NE 3.1Å; E935-R939 IonicContact OE1-NH2 3.98Å; E935-R939 PolarHBondContact OE1-NH2 2.99Å; E935-R939 IonicContact OE2-NH2 2.6Å; Y936-R939 PolarHBondContact O-N 2.88Å; Y936-R939 VanDerWaalsContact O-N 3.17Å; R939-K941 PolarHBondContact O-N 2.98Å; R939-K942 PolarHBondContact O-N 3.47Å; R939-E943 PolarHBondContact O-N 3.32Å; R939-E943 VanDerWaalsContact O-N 3.07Å |
| 940 | V | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 113.1 Ų | 113.1 | 60% | 0.6 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -56.8 | -48.2 | 176.8 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | Y936 K942 E943 E944 | Y936-V940 WeakPolarHBondContact O-CG2 3.27Å; Y936-V940 PolarHBondContact O-N 3.49Å; V940-K942 VanDerWaalsContact C-N 3.29Å; V940-K942 PolarHBondContact O-N 3.42Å; V940-E943 PolarHBondContact O-N 3.43Å; V940-E943 VanDerWaalsContact O-N 3.15Å; V940-E944 WeakPolarHBondContact O-CB 3.36Å; V940-E944 PolarHBondContact O-N 2.93Å |
| 941 | K | 98.8 | Very high | 98.7 | Very high | 131 Ų | 131 | 111 Ų | 111 | 57% | 0.57 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.7 | -33.3 | 178.8 | -173 | 168.2 | -175.6 | 168.9 | 0 | 113.7 | L937 R939 Q945 | L937-K941 WeakPolarHBondContact O-CB 3.5Å; L937-K941 PolarHBondContact O-N 3.14Å; R939-K941 PolarHBondContact O-N 2.98Å; K941-Q945 WeakPolarHBondContact O-CB 3.39Å; K941-Q945 VanDerWaalsContact O-CG 3.27Å; K941-Q945 WeakPolarHBondContact O-CG 3.41Å; K941-Q945 PolarHBondContact O-N 3.45Å; K941-Q945 VanDerWaalsContact O-N 3.1Å |
| 942 | K | 98.8 | Very high | 98.7 | Very high | 146 Ų | 146 | 108.2 Ų | 108.2 | 64% | 0.635 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.4 | -40.5 | 174.5 | -75.9 | 173.6 | 179.7 | -178.8 | 0 | 112 | S938 R939 V940 Q945 R946 | S938-K942 WeakPolarHBondContact O-CG 3.46Å; S938-K942 PolarHBondContact O-N 3.4Å; R939-K942 PolarHBondContact O-N 3.47Å; V940-K942 VanDerWaalsContact C-N 3.29Å; V940-K942 PolarHBondContact O-N 3.42Å; K942-Q945 PolarHBondContact O-N 2.85Å; K942-R946 WeakPolarHBondContact O-CB 3.36Å; K942-R946 PolarHBondContact O-N 2.91Å |
| 943 | E | 98.4 | Very high | 98.7 | Very high | 106 Ų | 106 | 110.5 Ų | 110.5 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -74.5 | -32.5 | 179.3 | -160.5 | 58.9 | -152.1 | 0 | 0 | 111.8 | R939 V940 R946 Y947 | R939-E943 PolarHBondContact O-N 3.32Å; R939-E943 VanDerWaalsContact O-N 3.07Å; V940-E943 PolarHBondContact O-N 3.43Å; V940-E943 VanDerWaalsContact O-N 3.15Å; E943-R946 WeakPolarHBondContact O-CB 3.49Å; E943-R946 PolarHBondContact O-N 3.08Å; E943-R946 WeakPolarHBondContact OE1-CD 3.4Å; E943-R946 IonicContact OE1-NH1 3.15Å; E943-R946 WeakPolarHBondContact OE2-CD 3.38Å; E943-R946 IonicContact OE2-NH1 2.75Å; E943-Y947 WeakPolarHBondContact O-CB 3.48Å; E943-Y947 PolarHBondContact O-N 3.37Å |
| 944 | E | 98.6 | Very high | 98.7 | Very high | 127 Ų | 127 | 110.7 Ų | 110.7 | 59% | 0.593 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.5 | -47.6 | 167.6 | 178.2 | -178.8 | -131.4 | 0 | 0 | 111.7 | V940 R946 Y947 Q948 | V940-E944 WeakPolarHBondContact O-CB 3.36Å; V940-E944 PolarHBondContact O-N 2.93Å; E944-R946 VanDerWaalsContact C-N 3.32Å; E944-R946 PolarHBondContact O-N 3.27Å; E944-Y947 PolarHBondContact O-N 2.81Å; E944-Q948 WeakPolarHBondContact O-CB 3.43Å; E944-Q948 PolarHBondContact O-N 3.27Å |
| 945 | Q | 98.8 | Very high | 98.7 | Very high | 123 Ų | 123 | 108.7 Ų | 108.7 | 58% | 0.575 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.7 | -40.1 | 173.9 | -76.1 | 176.3 | -25.1 | 0 | 0 | 112.1 | K941 K942 Q948 A949 | K941-Q945 WeakPolarHBondContact O-CB 3.39Å; K941-Q945 VanDerWaalsContact O-CG 3.27Å; K941-Q945 WeakPolarHBondContact O-CG 3.41Å; K941-Q945 PolarHBondContact O-N 3.45Å; K941-Q945 VanDerWaalsContact O-N 3.1Å; K942-Q945 PolarHBondContact O-N 2.85Å; Q945-Q948 PolarHBondContact O-N 2.85Å; Q945-A949 WeakPolarHBondContact O-CB 3.48Å; Q945-A949 PolarHBondContact O-N 3.24Å |
| 946 | R | 98.6 | Very high | 98.7 | Very high | 168 Ų | 168 | 108.5 Ų | 108.5 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.4 | -43.9 | 176.3 | -169.8 | -173.9 | -170.9 | 172.3 | 1.8 | 112.1 | K942 E943 E944 A949 L950 | K942-R946 WeakPolarHBondContact O-CB 3.36Å; K942-R946 PolarHBondContact O-N 2.91Å; E943-R946 WeakPolarHBondContact O-CB 3.49Å; E943-R946 PolarHBondContact O-N 3.08Å; E943-R946 WeakPolarHBondContact OE1-CD 3.4Å; E943-R946 IonicContact OE1-NH1 3.15Å; E943-R946 WeakPolarHBondContact OE2-CD 3.38Å; E943-R946 IonicContact OE2-NH1 2.75Å; E944-R946 VanDerWaalsContact C-N 3.32Å; E944-R946 PolarHBondContact O-N 3.27Å; R946-A949 PolarHBondContact O-N 3.34Å; R946-L950 WeakPolarHBondContact O-CB 3.38Å; R946-L950 PolarHBondContact O-N 3.04Å |
| 947 | Y | 98.8 | Very high | 98.7 | Very high | 154 Ų | 154 | 107.5 Ų | 107.5 | 60% | 0.604 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.3 | -47.2 | 175 | 171.8 | -98 | 0 | 0 | 0 | 111 | E943 E944 A949 L950 K951 | E943-Y947 WeakPolarHBondContact O-CB 3.48Å; E943-Y947 PolarHBondContact O-N 3.37Å; E944-Y947 PolarHBondContact O-N 2.81Å; Y947-A949 PolarHBondContact O-N 2.86Å; Y947-L950 PolarHBondContact O-N 3.46Å; Y947-K951 HydrophobicContact CE1-CD 4.36Å; Y947-K951 VanDerWaalsContact O-CB 3.28Å; Y947-K951 WeakPolarHBondContact O-CB 3.38Å; Y947-K951 PolarHBondContact O-N 2.98Å |
| 948 | Q | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 106.5 Ų | 106.5 | 44% | 0.435 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.1 | -39.2 | 178.9 | -177.9 | 57.8 | 26 | 0 | 0 | 112.1 | E944 Q945 K951 V952 | E944-Q948 WeakPolarHBondContact O-CB 3.43Å; E944-Q948 PolarHBondContact O-N 3.27Å; Q945-Q948 PolarHBondContact O-N 2.85Å; Q948-K951 PolarHBondContact O-N 3.48Å; Q948-V952 WeakPolarHBondContact O-CG2 3.35Å; Q948-V952 PolarHBondContact O-N 3.06Å |
| 949 | A | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 108.4 Ų | 108.4 | 53% | 0.529 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.3 | -42.4 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q945 R946 Y947 H953 | Q945-A949 WeakPolarHBondContact O-CB 3.48Å; Q945-A949 PolarHBondContact O-N 3.24Å; R946-A949 PolarHBondContact O-N 3.34Å; Y947-A949 PolarHBondContact O-N 2.86Å; A949-H953 WeakPolarHBondContact O-CB 3.38Å; A949-H953 PolarHBondContact O-N 3.22Å; A949-H953 VanDerWaalsContact O-N 3.08Å |
| 950 | L | 98.8 | Very high | 98.7 | Very high | 115 Ų | 115 | 107.9 Ų | 107.9 | 60% | 0.602 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.5 | -39.3 | 176.2 | 179.3 | 60.2 | 0 | 0 | 0 | 111.9 | R946 Y947 H953 A954 | R946-L950 WeakPolarHBondContact O-CB 3.38Å; R946-L950 PolarHBondContact O-N 3.04Å; Y947-L950 PolarHBondContact O-N 3.46Å; L950-H953 PolarHBondContact O-N 2.92Å; L950-A954 WeakPolarHBondContact O-CB 3.49Å; L950-A954 PolarHBondContact O-N 3.3Å |
| 951 | K | 98.8 | Very high | 98.7 | Very high | 79 Ų | 79 | 105.2 Ų | 105.2 | 34% | 0.343 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.8 | -53.8 | 175.3 | 176.7 | -176.3 | 166 | -174.7 | 0 | 111 | Y947 Q948 H953 A954 E955 | Y947-K951 HydrophobicContact CE1-CD 4.36Å; Y947-K951 VanDerWaalsContact O-CB 3.28Å; Y947-K951 WeakPolarHBondContact O-CB 3.38Å; Y947-K951 PolarHBondContact O-N 2.98Å; Q948-K951 PolarHBondContact O-N 3.48Å; K951-H953 VanDerWaalsContact C-N 3.33Å; K951-H953 PolarHBondContact O-N 3.25Å; K951-A954 WeakPolarHBondContact O-CB 3.28Å; K951-A954 PolarHBondContact O-N 3.18Å; K951-E955 VanDerWaalsContact CE-CD 3.5Å; K951-E955 WeakPolarHBondContact CE-OE1 3.39Å; K951-E955 HydrophobicContact CG-CG 4.42Å; K951-E955 IonicContact NZ-OE1 2.63Å; K951-E955 WeakPolarHBondContact O-CG 3.48Å; K951-E955 PolarHBondContact O-N 2.88Å |
| 952 | V | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 102.9 Ų | 102.9 | 34% | 0.339 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58.1 | -45 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | Q948 A954 E955 E956 | Q948-V952 WeakPolarHBondContact O-CG2 3.35Å; Q948-V952 PolarHBondContact O-N 3.06Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 2.82Å; V952-E955 PolarHBondContact O-N 2.98Å; V952-E956 HydrophobicContact CG1-CG 4.37Å; V952-E956 WeakPolarHBondContact O-CG 2.83Å; V952-E956 PolarHBondContact O-N 3.39Å |
| 953 | H | 98.6 | Very high | 98.6 | Very high | 101 Ų | 101 | 98.9 Ų | 98.9 | 47% | 0.468 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 176.8 | 174.2 | -108 | 0 | 0 | 0 | 113.4 | A949 L950 K951 K957 | A949-H953 WeakPolarHBondContact O-CB 3.38Å; A949-H953 PolarHBondContact O-N 3.22Å; A949-H953 VanDerWaalsContact O-N 3.08Å; L950-H953 PolarHBondContact O-N 2.92Å; K951-H953 VanDerWaalsContact C-N 3.33Å; K951-H953 PolarHBondContact O-N 3.25Å; H953-K957 WeakPolarHBondContact O-CB 3.43Å; H953-K957 PolarHBondContact O-N 2.98Å |
| 954 | A | 98.6 | Very high | 98.6 | Very high | 54 Ų | 54 | 100.1 Ų | 100.1 | 45% | 0.446 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -72 | -42.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | L950 K951 V952 K957 L958 | L950-A954 WeakPolarHBondContact O-CB 3.49Å; L950-A954 PolarHBondContact O-N 3.3Å; K951-A954 WeakPolarHBondContact O-CB 3.28Å; K951-A954 PolarHBondContact O-N 3.18Å; V952-A954 VanDerWaalsContact C-N 3.3Å; V952-A954 PolarHBondContact O-N 2.82Å; A954-K957 PolarHBondContact O-N 2.88Å; A954-L958 WeakPolarHBondContact O-CB 3.31Å; A954-L958 PolarHBondContact O-N 3.26Å |
| 955 | E | 98.4 | Very high | 98.6 | Very high | 88 Ų | 88 | 97.8 Ų | 97.8 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.7 | -51.1 | 175.1 | -71 | 169.9 | 154.8 | 0 | 0 | 110.5 | K951 V952 K957 L958 D959 | K951-E955 VanDerWaalsContact CE-CD 3.5Å; K951-E955 WeakPolarHBondContact CE-OE1 3.39Å; K951-E955 HydrophobicContact CG-CG 4.42Å; K951-E955 IonicContact NZ-OE1 2.63Å; K951-E955 WeakPolarHBondContact O-CG 3.48Å; K951-E955 PolarHBondContact O-N 2.88Å; V952-E955 PolarHBondContact O-N 2.98Å; E955-K957 VanDerWaalsContact C-N 3.28Å; E955-K957 PolarHBondContact O-N 3.35Å; E955-L958 WeakPolarHBondContact O-CB 3.36Å; E955-L958 PolarHBondContact O-N 3.15Å; E955-L958 VanDerWaalsContact O-N 3.15Å; E955-D959 PolarHBondContact O-N 3.08Å |
| 956 | E | 98.6 | Very high | 98.6 | Very high | 94 Ų | 94 | 94.8 Ų | 94.8 | 44% | 0.439 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.5 | -38.8 | 174.4 | -72.8 | 178.8 | -164.1 | 0 | 0 | 113.5 | V952 R960 | V952-E956 HydrophobicContact CG1-CG 4.37Å; V952-E956 WeakPolarHBondContact O-CG 2.83Å; V952-E956 PolarHBondContact O-N 3.39Å; E956-R960 VanDerWaalsContact CB-NH2 3.35Å; E956-R960 WeakPolarHBondContact O-CB 3.43Å; E956-R960 VanDerWaalsContact O-CG 3.31Å; E956-R960 WeakPolarHBondContact O-CG 3.45Å; E956-R960 PolarHBondContact O-N 3.02Å; E956-R960 PolarHBondContact O-NE 2.91Å; E956-R960 IonicContact OE2-CZ 2.74Å; E956-R960 IonicContact OE2-NH2 3.26Å; E956-R960 PolarHBondContact OE2-NH2 3.41Å |
| 957 | K | 98.6 | Very high | 98.6 | Very high | 133 Ų | 133 | 92 Ų | 92 | 58% | 0.578 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -71.9 | -35.9 | -179.2 | -172.5 | 175.1 | -179.8 | 179.7 | 0 | 111.2 | H953 A954 E955 A961 | H953-K957 WeakPolarHBondContact O-CB 3.43Å; H953-K957 PolarHBondContact O-N 2.98Å; A954-K957 PolarHBondContact O-N 2.88Å; E955-K957 VanDerWaalsContact C-N 3.28Å; E955-K957 PolarHBondContact O-N 3.35Å; K957-A961 WeakPolarHBondContact O-CB 3.48Å; K957-A961 PolarHBondContact O-N 2.6Å; K957-A961 VanDerWaalsContact O-N 3.08Å |
| 958 | L | 98.6 | Very high | 98.6 | Very high | 104 Ų | 104 | 88.6 Ų | 88.6 | 55% | 0.545 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -43.6 | 172.7 | 177.4 | 142.9 | 0 | 0 | 0 | 111 | A954 E955 A961 N962 | A954-L958 WeakPolarHBondContact O-CB 3.31Å; A954-L958 PolarHBondContact O-N 3.26Å; E955-L958 WeakPolarHBondContact O-CB 3.36Å; E955-L958 PolarHBondContact O-N 3.15Å; E955-L958 VanDerWaalsContact O-N 3.15Å; L958-A961 PolarHBondContact O-N 3.41Å; L958-N962 VanDerWaalsContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact O-CB 3.5Å; L958-N962 VanDerWaalsContact O-CG 3.26Å; L958-N962 PolarHBondContact O-N 3.3Å; L958-N962 PolarHBondContact O-ND2 3.09Å |
| 959 | D | 98.6 | Very high | 98.6 | Very high | 100 Ų | 100 | 92.3 Ų | 92.3 | 54% | 0.535 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.1 | -40.3 | 176.6 | -76.4 | -20.6 | 0 | 0 | 0 | 112.7 | E955 A961 N962 A963 | E955-D959 PolarHBondContact O-N 3.08Å; D959-A961 PolarHBondContact O-N 3.48Å; D959-N962 PolarHBondContact O-N 3.34Å; D959-A963 WeakPolarHBondContact O-CB 3.47Å; D959-A963 PolarHBondContact O-N 2.86Å |
| 960 | R | 98.5 | Very high | 98.6 | Very high | 130 Ų | 130 | 90.9 Ų | 90.9 | 49% | 0.491 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.9 | -44.5 | 172.4 | -79.4 | 178.6 | -94.2 | 126.2 | -11.3 | 111.9 | E956 A963 E964 | E956-R960 VanDerWaalsContact CB-NH2 3.35Å; E956-R960 WeakPolarHBondContact O-CB 3.43Å; E956-R960 VanDerWaalsContact O-CG 3.31Å; E956-R960 WeakPolarHBondContact O-CG 3.45Å; E956-R960 PolarHBondContact O-N 3.02Å; E956-R960 PolarHBondContact O-NE 2.91Å; E956-R960 IonicContact OE2-CZ 2.74Å; E956-R960 IonicContact OE2-NH2 3.26Å; E956-R960 PolarHBondContact OE2-NH2 3.41Å; R960-A963 PolarHBondContact O-N 2.91Å; R960-E964 PolarHBondContact O-N 2.85Å |
| 961 | A | 98.6 | Very high | 98.5 | Very high | 43 Ų | 43 | 90.3 Ų | 90.3 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -66 | -39.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | K957 L958 D959 E964 I965 | K957-A961 WeakPolarHBondContact O-CB 3.48Å; K957-A961 PolarHBondContact O-N 2.6Å; K957-A961 VanDerWaalsContact O-N 3.08Å; L958-A961 PolarHBondContact O-N 3.41Å; D959-A961 PolarHBondContact O-N 3.48Å; A961-E964 PolarHBondContact O-N 2.92Å; A961-I965 WeakPolarHBondContact O-CB 3.46Å; A961-I965 WeakPolarHBondContact O-CD1 3.43Å; A961-I965 VanDerWaalsContact O-CG1 3.26Å; A961-I965 WeakPolarHBondContact O-CG1 3.38Å; A961-I965 PolarHBondContact O-N 2.87Å |
| 962 | N | 98.5 | Very high | 98.5 | Very high | 83 Ų | 83 | 89 Ų | 89 | 44% | 0.444 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -41.4 | 175.2 | -75.3 | -29.7 | 0 | 0 | 0 | 112 | L958 D959 I965 A966 | L958-N962 VanDerWaalsContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact CD2-ND2 3.26Å; L958-N962 WeakPolarHBondContact O-CB 3.5Å; L958-N962 VanDerWaalsContact O-CG 3.26Å; L958-N962 PolarHBondContact O-N 3.3Å; L958-N962 PolarHBondContact O-ND2 3.09Å; D959-N962 PolarHBondContact O-N 3.34Å; N962-I965 PolarHBondContact O-N 3.49Å; N962-A966 WeakPolarHBondContact O-CB 3.4Å; N962-A966 PolarHBondContact O-N 3.31Å |
| 963 | A | 98.6 | Very high | 98.5 | Very high | 62 Ų | 62 | 92.6 Ų | 92.6 | 51% | 0.512 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D959 R960 A966 Q967 | D959-A963 WeakPolarHBondContact O-CB 3.47Å; D959-A963 PolarHBondContact O-N 2.86Å; R960-A963 PolarHBondContact O-N 2.91Å; A963-A966 PolarHBondContact O-N 3.31Å; A963-Q967 WeakPolarHBondContact O-CB 3.26Å; A963-Q967 PolarHBondContact O-N 3.27Å |
| 964 | E | 98.6 | Very high | 98.5 | Very high | 131 Ų | 131 | 94.9 Ų | 94.9 | 61% | 0.612 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.4 | -47.2 | 173.6 | -174.5 | 173.9 | -170.8 | 0 | 0 | 111.6 | R960 A961 A966 Q967 V968 | R960-E964 PolarHBondContact O-N 2.85Å; A961-E964 PolarHBondContact O-N 2.92Å; E964-A966 VanDerWaalsContact C-N 3.29Å; E964-A966 PolarHBondContact O-N 3.11Å; E964-Q967 PolarHBondContact O-N 3.36Å; E964-Q967 VanDerWaalsContact O-N 3.11Å; E964-V968 WeakPolarHBondContact O-CG2 3.23Å; E964-V968 PolarHBondContact O-N 2.93Å |
| 965 | I | 98.3 | Very high | 98.4 | Very high | 78 Ų | 78 | 97.5 Ų | 97.5 | 40% | 0.4 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -58.3 | -41.7 | 174.9 | -70.6 | 164.5 | 0 | 0 | 0 | 111.1 | A961 N962 R969 | A961-I965 WeakPolarHBondContact O-CB 3.46Å; A961-I965 WeakPolarHBondContact O-CD1 3.43Å; A961-I965 VanDerWaalsContact O-CG1 3.26Å; A961-I965 WeakPolarHBondContact O-CG1 3.38Å; A961-I965 PolarHBondContact O-N 2.87Å; N962-I965 PolarHBondContact O-N 3.49Å; I965-R969 WeakPolarHBondContact O-CB 3.39Å; I965-R969 VanDerWaalsContact O-CG 3.23Å; I965-R969 WeakPolarHBondContact O-CG 3.37Å; I965-R969 PolarHBondContact O-N 2.87Å |
| 966 | A | 98.6 | Very high | 98.4 | Very high | 60 Ų | 60 | 99.5 Ų | 99.5 | 50% | 0.496 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -42.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N962 A963 E964 R969 G970 | N962-A966 WeakPolarHBondContact O-CB 3.4Å; N962-A966 PolarHBondContact O-N 3.31Å; A963-A966 PolarHBondContact O-N 3.31Å; E964-A966 VanDerWaalsContact C-N 3.29Å; E964-A966 PolarHBondContact O-N 3.11Å; A966-R969 PolarHBondContact O-N 3.46Å; A966-G970 PolarHBondContact O-N 2.91Å |
| 967 | Q | 98.5 | Very high | 98.4 | Very high | 111 Ų | 111 | 97.9 Ų | 97.9 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.9 | -44.1 | 177 | -166.1 | -163.1 | 89 | 0 | 0 | 112 | A963 E964 G970 K971 | A963-Q967 WeakPolarHBondContact O-CB 3.26Å; A963-Q967 PolarHBondContact O-N 3.27Å; E964-Q967 PolarHBondContact O-N 3.36Å; E964-Q967 VanDerWaalsContact O-N 3.11Å; Q967-G970 PolarHBondContact O-N 2.89Å; Q967-K971 HydrophobicContact CG-CD 4.41Å; Q967-K971 WeakPolarHBondContact O-CG 3.47Å; Q967-K971 PolarHBondContact O-N 3.43Å |
| 968 | V | 98.7 | Very high | 98.4 | Very high | 82 Ų | 82 | 94.1 Ų | 94.1 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -43.1 | 177.2 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | E964 K971 A972 | E964-V968 WeakPolarHBondContact O-CG2 3.23Å; E964-V968 PolarHBondContact O-N 2.93Å; V968-K971 PolarHBondContact O-N 2.94Å; V968-A972 WeakPolarHBondContact O-CB 3.39Å; V968-A972 PolarHBondContact O-N 2.97Å |
| 969 | R | 98.3 | Very high | 98.4 | Very high | 171 Ų | 171 | 96.9 Ų | 96.9 | 65% | 0.645 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.5 | -42.7 | 173.8 | -74.1 | 171.4 | 178.7 | 177.8 | 1.7 | 112.2 | I965 A966 A972 Q973 | I965-R969 WeakPolarHBondContact O-CB 3.39Å; I965-R969 VanDerWaalsContact O-CG 3.23Å; I965-R969 WeakPolarHBondContact O-CG 3.37Å; I965-R969 PolarHBondContact O-N 2.87Å; A966-R969 PolarHBondContact O-N 3.46Å; R969-A972 PolarHBondContact O-N 3.12Å; R969-Q973 WeakPolarHBondContact O-CB 3.37Å; R969-Q973 WeakPolarHBondContact O-CG 3.46Å; R969-Q973 PolarHBondContact O-N 2.94Å |
| 970 | G | 98.3 | Very high | 98.3 | Very high | 34 Ų | 34 | 96.9 Ų | 96.9 | 35% | 0.351 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A966 Q967 Q973 Q974 | A966-G970 PolarHBondContact O-N 2.91Å; Q967-G970 PolarHBondContact O-N 2.89Å; G970-Q973 PolarHBondContact O-N 3.41Å; G970-Q974 WeakPolarHBondContact O-CB 3.47Å; G970-Q974 PolarHBondContact O-N 2.87Å |
| 971 | K | 98.3 | Very high | 98.3 | Very high | 102 Ų | 102 | 93.3 Ų | 93.3 | 44% | 0.443 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 173.6 | -74.6 | 167.7 | 170.1 | 173.2 | 0 | 111.6 | Q967 V968 Q973 Q974 E975 | Q967-K971 HydrophobicContact CG-CD 4.41Å; Q967-K971 WeakPolarHBondContact O-CG 3.47Å; Q967-K971 PolarHBondContact O-N 3.43Å; V968-K971 PolarHBondContact O-N 2.94Å; K971-Q973 VanDerWaalsContact C-N 3.32Å; K971-Q973 PolarHBondContact O-N 3.36Å; K971-Q974 WeakPolarHBondContact O-CB 3.26Å; K971-Q974 PolarHBondContact O-N 3.06Å; K971-Q974 VanDerWaalsContact O-N 3.12Å; K971-E975 PolarHBondContact O-N 2.76Å |
| 972 | A | 98.3 | Very high | 98.3 | Very high | 53 Ų | 53 | 94.3 Ų | 94.3 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -61.1 | -38 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | V968 R969 Q976 | V968-A972 WeakPolarHBondContact O-CB 3.39Å; V968-A972 PolarHBondContact O-N 2.97Å; R969-A972 PolarHBondContact O-N 3.12Å; A972-Q976 VanDerWaalsContact O-CB 3.26Å; A972-Q976 WeakPolarHBondContact O-CB 3.33Å; A972-Q976 PolarHBondContact O-N 3.37Å |
| 973 | Q | 98.3 | Very high | 98.3 | Very high | 131 Ų | 131 | 96.1 Ų | 96.1 | 61% | 0.612 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.4 | -39.6 | 173.3 | -75.2 | 176.9 | -8.9 | 0 | 0 | 112.5 | R969 G970 K971 Q976 A977 | R969-Q973 WeakPolarHBondContact O-CB 3.37Å; R969-Q973 WeakPolarHBondContact O-CG 3.46Å; R969-Q973 PolarHBondContact O-N 2.94Å; G970-Q973 PolarHBondContact O-N 3.41Å; K971-Q973 VanDerWaalsContact C-N 3.32Å; K971-Q973 PolarHBondContact O-N 3.36Å; Q973-Q976 PolarHBondContact O-N 3.42Å; Q973-A977 WeakPolarHBondContact O-CB 3.48Å; Q973-A977 PolarHBondContact O-N 2.92Å |
| 974 | Q | 98.3 | Very high | 98.2 | Very high | 148 Ų | 148 | 99.7 Ų | 99.7 | 69% | 0.692 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -64.2 | -44 | 175.5 | -174.9 | 179.1 | 5 | 0 | 0 | 111.5 | G970 K971 A977 A978 | G970-Q974 WeakPolarHBondContact O-CB 3.47Å; G970-Q974 PolarHBondContact O-N 2.87Å; K971-Q974 WeakPolarHBondContact O-CB 3.26Å; K971-Q974 PolarHBondContact O-N 3.06Å; K971-Q974 VanDerWaalsContact O-N 3.12Å; Q974-A977 PolarHBondContact O-N 3.46Å; Q974-A978 WeakPolarHBondContact O-CB 3.48Å; Q974-A978 PolarHBondContact O-N 3.39Å |
| 975 | E | 97.9 | Very high | 98.2 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 51% | 0.514 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 173.7 | -73.3 | 177.6 | -155.6 | 0 | 0 | 111.5 | K971 A977 A978 Y979 | K971-E975 PolarHBondContact O-N 2.76Å; E975-A977 VanDerWaalsContact C-N 3.29Å; E975-A977 PolarHBondContact O-N 3.07Å; E975-A978 WeakPolarHBondContact O-CB 3.4Å; E975-A978 PolarHBondContact O-N 2.92Å; E975-A978 VanDerWaalsContact O-N 3.07Å; E975-Y979 HydrophobicContact CB-CD2 4.36Å; E975-Y979 HydrophobicContact CB-CE2 4.07Å; E975-Y979 WeakPolarHBondContact O-CD2 3.3Å; E975-Y979 PolarHBondContact O-N 2.9Å |
| 976 | Q | 97.8 | Very high | 98.2 | Very high | 130 Ų | 130 | 100 Ų | 100 | 61% | 0.607 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -57.1 | -42.1 | 175.6 | -172.2 | -178.2 | 20.9 | 0 | 0 | 111.7 | A972 Q973 Q980 | A972-Q976 VanDerWaalsContact O-CB 3.26Å; A972-Q976 WeakPolarHBondContact O-CB 3.33Å; A972-Q976 PolarHBondContact O-N 3.37Å; Q973-Q976 PolarHBondContact O-N 3.42Å; Q976-Q980 VanDerWaalsContact O-CB 3.3Å; Q976-Q980 WeakPolarHBondContact O-CB 3.35Å; Q976-Q980 PolarHBondContact O-N 2.82Å |
| 977 | A | 98.2 | Very high | 98.1 | Very high | 59 Ų | 59 | 101.9 Ų | 101.9 | 49% | 0.488 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.1 | -40.9 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q973 Q974 E975 Q980 A981 | Q973-A977 WeakPolarHBondContact O-CB 3.48Å; Q973-A977 PolarHBondContact O-N 2.92Å; Q974-A977 PolarHBondContact O-N 3.46Å; E975-A977 VanDerWaalsContact C-N 3.29Å; E975-A977 PolarHBondContact O-N 3.07Å; A977-Q980 PolarHBondContact O-N 2.95Å; A977-A981 WeakPolarHBondContact O-CB 3.36Å; A977-A981 PolarHBondContact O-N 2.97Å |
| 978 | A | 98.4 | Very high | 98.1 | Very high | 54 Ų | 54 | 102 Ų | 102 | 45% | 0.446 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -41.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q974 E975 A981 S982 | Q974-A978 WeakPolarHBondContact O-CB 3.48Å; Q974-A978 PolarHBondContact O-N 3.39Å; E975-A978 WeakPolarHBondContact O-CB 3.4Å; E975-A978 PolarHBondContact O-N 2.92Å; E975-A978 VanDerWaalsContact O-N 3.07Å; A978-A981 PolarHBondContact O-N 3.33Å; A978-S982 WeakPolarHBondContact O-CB 3.06Å; A978-S982 PolarHBondContact O-N 3.43Å; A978-S982 PolarHBondContact O-OG 3.36Å |
| 979 | Y | 98.3 | Very high | 98.1 | Very high | 162 Ų | 162 | 105.3 Ų | 105.3 | 64% | 0.635 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -64.2 | -43.2 | 172.3 | -70.1 | -58.2 | 0 | 0 | 0 | 111.4 | E975 A981 S982 L983 | E975-Y979 HydrophobicContact CB-CD2 4.36Å; E975-Y979 HydrophobicContact CB-CE2 4.07Å; E975-Y979 WeakPolarHBondContact O-CD2 3.3Å; E975-Y979 PolarHBondContact O-N 2.9Å; Y979-A981 VanDerWaalsContact C-N 3.34Å; Y979-A981 PolarHBondContact O-N 3.34Å; Y979-S982 PolarHBondContact O-N 3.45Å; Y979-L983 WeakPolarHBondContact O-CB 3.41Å; Y979-L983 PolarHBondContact O-N 2.82Å |
| 980 | Q | 98.3 | Very high | 98.1 | Very high | 100 Ų | 100 | 100.2 Ų | 100.2 | 47% | 0.467 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -32.3 | 178.7 | -155.8 | -164 | 65 | 0 | 0 | 112.5 | Q976 A977 R984 | Q976-Q980 VanDerWaalsContact O-CB 3.3Å; Q976-Q980 WeakPolarHBondContact O-CB 3.35Å; Q976-Q980 PolarHBondContact O-N 2.82Å; A977-Q980 PolarHBondContact O-N 2.95Å; Q980-R984 VanDerWaalsContact CD-NH2 3.34Å; Q980-R984 WeakPolarHBondContact O-CG 3.45Å; Q980-R984 PolarHBondContact O-N 2.96Å; Q980-R984 PolarHBondContact O-NH1 3.21Å; Q980-R984 VanDerWaalsContact OE1-CZ 3.23Å |
| 981 | A | 98.2 | Very high | 98 | Very high | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.5 | -42.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | A977 A978 Y979 R984 K985 | A977-A981 WeakPolarHBondContact O-CB 3.36Å; A977-A981 PolarHBondContact O-N 2.97Å; A978-A981 PolarHBondContact O-N 3.33Å; Y979-A981 VanDerWaalsContact C-N 3.34Å; Y979-A981 PolarHBondContact O-N 3.34Å; A981-R984 PolarHBondContact O-N 3.24Å; A981-K985 PolarHBondContact O-N 2.87Å |
| 982 | S | 97.7 | Very high | 98 | Very high | 65 Ų | 65 | 97.6 Ų | 97.6 | 46% | 0.455 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.6 | -41.5 | 177.2 | -58.5 | 0 | 0 | 0 | 0 | 112 | A978 Y979 K985 E986 | A978-S982 WeakPolarHBondContact O-CB 3.06Å; A978-S982 PolarHBondContact O-N 3.43Å; A978-S982 PolarHBondContact O-OG 3.36Å; Y979-S982 PolarHBondContact O-N 3.45Å; S982-K985 WeakPolarHBondContact O-CB 3.36Å; S982-K985 PolarHBondContact O-N 3.24Å; S982-E986 PolarHBondContact O-N 3.31Å |
| 983 | L | 98.1 | Very high | 98 | Very high | 120 Ų | 120 | 99.9 Ų | 99.9 | 63% | 0.628 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -45.7 | 174 | 179.6 | 61.8 | 0 | 0 | 0 | 111.6 | Y979 K985 E986 Q987 | Y979-L983 WeakPolarHBondContact O-CB 3.41Å; Y979-L983 PolarHBondContact O-N 2.82Å; L983-K985 VanDerWaalsContact C-N 3.34Å; L983-K985 PolarHBondContact O-N 3.12Å; L983-E986 PolarHBondContact O-N 3.13Å; L983-Q987 WeakPolarHBondContact O-CB 3.29Å; L983-Q987 PolarHBondContact O-N 3.2Å |
| 984 | R | 97.9 | Very high | 97.9 | Very high | 138 Ų | 138 | 98.5 Ų | 98.5 | 52% | 0.521 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 174.6 | -72.7 | -175.5 | -170.5 | 96.2 | -5.4 | 112.5 | Q980 A981 L988 | Q980-R984 VanDerWaalsContact CD-NH2 3.34Å; Q980-R984 WeakPolarHBondContact O-CG 3.45Å; Q980-R984 PolarHBondContact O-N 2.96Å; Q980-R984 PolarHBondContact O-NH1 3.21Å; Q980-R984 VanDerWaalsContact OE1-CZ 3.23Å; A981-R984 PolarHBondContact O-N 3.24Å; R984-L988 WeakPolarHBondContact O-CB 3.37Å; R984-L988 VanDerWaalsContact O-CG 3.29Å; R984-L988 WeakPolarHBondContact O-CG 3.04Å; R984-L988 PolarHBondContact O-N 2.98Å |
| 985 | K | 98.1 | Very high | 97.9 | Very high | 135 Ų | 135 | 98 Ų | 98 | 59% | 0.587 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 176.8 | 172.6 | 177.5 | 166.5 | -82.9 | 0 | 111.8 | A981 S982 L983 R989 | A981-K985 PolarHBondContact O-N 2.87Å; S982-K985 WeakPolarHBondContact O-CB 3.36Å; S982-K985 PolarHBondContact O-N 3.24Å; L983-K985 VanDerWaalsContact C-N 3.34Å; L983-K985 PolarHBondContact O-N 3.12Å; K985-R989 PolarHBondContact O-N 3.39Å; K985-R989 VanDerWaalsContact O-N 3.12Å |
| 986 | E | 97.3 | Very high | 97.8 | Very high | 81 Ų | 81 | 96.5 Ų | 96.5 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -75.6 | -31.4 | 178.9 | -61.6 | -50.5 | 130.3 | 0 | 0 | 112.4 | S982 L983 R989 V990 | S982-E986 PolarHBondContact O-N 3.31Å; L983-E986 PolarHBondContact O-N 3.13Å; E986-R989 WeakPolarHBondContact O-CB 3.46Å; E986-R989 PolarHBondContact O-N 3.46Å; E986-R989 WeakPolarHBondContact OE2-CD 3.39Å; E986-R989 IonicContact OE2-NE 2.72Å; E986-V990 WeakPolarHBondContact O-CG2 3.42Å; E986-V990 PolarHBondContact O-N 2.87Å |
| 987 | Q | 97.8 | Very high | 97.8 | Very high | 99 Ų | 99 | 95.1 Ų | 95.1 | 46% | 0.463 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.3 | -51.7 | 168.8 | -173.1 | 63.8 | 58 | 0 | 0 | 110.9 | L983 R989 V990 D991 | L983-Q987 WeakPolarHBondContact O-CB 3.29Å; L983-Q987 PolarHBondContact O-N 3.2Å; Q987-R989 PolarHBondContact O-N 2.89Å; Q987-R989 VanDerWaalsContact O-N 3.13Å; Q987-V990 CarbonylContact O-C 3.57Å; Q987-V990 WeakPolarHBondContact O-CA 3.44Å; Q987-V990 WeakPolarHBondContact O-CB 3.28Å; Q987-V990 PolarHBondContact O-N 2.99Å; Q987-D991 PolarHBondContact NE2-OD1 2.71Å; Q987-D991 PolarHBondContact O-N 2.96Å |
| 988 | L | 98.1 | Very high | 97.7 | Very high | 112 Ų | 112 | 97.1 Ų | 97.1 | 59% | 0.586 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -60.2 | -26.6 | 176.9 | -71.4 | 170.1 | 0 | 0 | 0 | 113.2 | R984 A992 | R984-L988 WeakPolarHBondContact O-CB 3.37Å; R984-L988 VanDerWaalsContact O-CG 3.29Å; R984-L988 WeakPolarHBondContact O-CG 3.04Å; R984-L988 PolarHBondContact O-N 2.98Å; L988-A992 VanDerWaalsContact O-CB 3.28Å; L988-A992 WeakPolarHBondContact O-CB 3.4Å; L988-A992 PolarHBondContact O-N 3.35Å |
| 989 | R | 98.1 | Very high | 97.6 | Very high | 153 Ų | 153 | 99.9 Ų | 99.9 | 58% | 0.577 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -72.1 | -44.5 | 171.4 | -177.2 | -166.9 | 175.4 | 85.1 | 0.7 | 111.4 | K985 E986 Q987 A992 L993 | K985-R989 PolarHBondContact O-N 3.39Å; K985-R989 VanDerWaalsContact O-N 3.12Å; E986-R989 WeakPolarHBondContact O-CB 3.46Å; E986-R989 PolarHBondContact O-N 3.46Å; E986-R989 WeakPolarHBondContact OE2-CD 3.39Å; E986-R989 IonicContact OE2-NE 2.72Å; Q987-R989 PolarHBondContact O-N 2.89Å; Q987-R989 VanDerWaalsContact O-N 3.13Å; R989-A992 PolarHBondContact O-N 2.96Å; R989-L993 HydrophobicContact CG-CD1 4.23Å; R989-L993 WeakPolarHBondContact O-CG 3.43Å; R989-L993 PolarHBondContact O-N 2.83Å |
| 990 | V | 97.9 | Very high | 97.6 | Very high | 64 Ų | 64 | 96.9 Ų | 96.9 | 39% | 0.388 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -59.7 | -54.1 | 173.9 | 171 | 0 | 0 | 0 | 0 | 109.8 | E986 Q987 A992 L993 E994 | E986-V990 WeakPolarHBondContact O-CG2 3.42Å; E986-V990 PolarHBondContact O-N 2.87Å; Q987-V990 CarbonylContact O-C 3.57Å; Q987-V990 WeakPolarHBondContact O-CA 3.44Å; Q987-V990 WeakPolarHBondContact O-CB 3.28Å; Q987-V990 PolarHBondContact O-N 2.99Å; V990-A992 PolarHBondContact O-N 3.22Å; V990-L993 CarbonylContact O-C 3.59Å; V990-L993 PolarHBondContact O-N 2.84Å; V990-E994 HydrophobicContact CG1-CG 4.12Å; V990-E994 WeakPolarHBondContact CG1-OE1 3.35Å; V990-E994 WeakPolarHBondContact O-CG 3.43Å; V990-E994 PolarHBondContact O-N 2.6Å |
| 991 | D | 97.6 | Very high | 97.5 | Very high | 45 Ų | 45 | 95.9 Ų | 95.9 | 24% | 0.241 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -53.3 | -35.6 | 178.4 | -52.6 | -11.8 | 0 | 0 | 0 | 112.1 | Q987 R995 | Q987-D991 PolarHBondContact NE2-OD1 2.71Å; Q987-D991 PolarHBondContact O-N 2.96Å; D991-R995 VanDerWaalsContact C-NH2 3.28Å; D991-R995 WeakPolarHBondContact O-CB 3.5Å; D991-R995 WeakPolarHBondContact O-CG 3.4Å; D991-R995 PolarHBondContact O-N 3.14Å; D991-R995 VanDerWaalsContact O-N 3.11Å; D991-R995 PolarHBondContact O-NE 3.19Å; D991-R995 PolarHBondContact O-NH2 3.17Å |
| 992 | A | 97.8 | Very high | 97.4 | Very high | 36 Ų | 36 | 98.7 Ų | 98.7 | 30% | 0.298 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -76.4 | -36.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | L988 R989 V990 T996 | L988-A992 VanDerWaalsContact O-CB 3.28Å; L988-A992 WeakPolarHBondContact O-CB 3.4Å; L988-A992 PolarHBondContact O-N 3.35Å; R989-A992 PolarHBondContact O-N 2.96Å; V990-A992 PolarHBondContact O-N 3.22Å; A992-T996 WeakPolarHBondContact O-CB 3.48Å; A992-T996 PolarHBondContact O-N 3.06Å; A992-T996 VanDerWaalsContact O-N 3.14Å; A992-T996 PolarHBondContact O-OG1 2.82Å |
| 993 | L | 97.8 | Very high | 97.3 | Very high | 101 Ų | 101 | 98.6 Ų | 98.6 | 53% | 0.529 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -69.5 | -41.9 | 172.9 | -70.8 | 170.1 | 0 | 0 | 0 | 111 | R989 V990 T996 L997 | R989-L993 HydrophobicContact CG-CD1 4.23Å; R989-L993 WeakPolarHBondContact O-CG 3.43Å; R989-L993 PolarHBondContact O-N 2.83Å; V990-L993 CarbonylContact O-C 3.59Å; V990-L993 PolarHBondContact O-N 2.84Å; L993-T996 WeakPolarHBondContact O-CB 3.35Å; L993-T996 PolarHBondContact O-N 3.06Å; L993-L997 WeakPolarHBondContact O-CB 3.44Å; L993-L997 PolarHBondContact O-N 2.78Å |
| 994 | E | 97 | Very high | 97.2 | Very high | 102 Ų | 102 | 97.5 Ų | 97.5 | 48% | 0.477 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.9 | -53.2 | 175.2 | -72 | 176.5 | 160.2 | 0 | 0 | 111.1 | V990 T996 L997 E998 | V990-E994 HydrophobicContact CG1-CG 4.12Å; V990-E994 WeakPolarHBondContact CG1-OE1 3.35Å; V990-E994 WeakPolarHBondContact O-CG 3.43Å; V990-E994 PolarHBondContact O-N 2.6Å; E994-T996 PolarHBondContact O-N 3.3Å; E994-L997 CarbonylContact O-C 3.58Å; E994-L997 WeakPolarHBondContact O-CA 3.5Å; E994-L997 WeakPolarHBondContact O-CB 3.41Å; E994-L997 PolarHBondContact O-N 2.8Å; E994-E998 WeakPolarHBondContact O-CG 3.45Å; E994-E998 PolarHBondContact O-N 3Å |
| 995 | R | 97.3 | Very high | 97.1 | Very high | 138 Ų | 138 | 95.8 Ų | 95.8 | 52% | 0.521 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.7 | -32.8 | 174.6 | -78.2 | 176.6 | -81.4 | 109.8 | -4.4 | 113.4 | D991 Q999 | D991-R995 VanDerWaalsContact C-NH2 3.28Å; D991-R995 WeakPolarHBondContact O-CB 3.5Å; D991-R995 WeakPolarHBondContact O-CG 3.4Å; D991-R995 PolarHBondContact O-N 3.14Å; D991-R995 VanDerWaalsContact O-N 3.11Å; D991-R995 PolarHBondContact O-NE 3.19Å; D991-R995 PolarHBondContact O-NH2 3.17Å; R995-Q999 WeakPolarHBondContact O-CB 3.44Å; R995-Q999 PolarHBondContact O-N 2.81Å |
| 996 | T | 96.9 | Very high | 97 | Very high | 77 Ų | 77 | 95 Ų | 95 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.8 | -39.6 | 174.9 | -55.8 | 0 | 0 | 0 | 0 | 111.5 | A992 L993 E994 Q999 K1000 | A992-T996 WeakPolarHBondContact O-CB 3.48Å; A992-T996 PolarHBondContact O-N 3.06Å; A992-T996 VanDerWaalsContact O-N 3.14Å; A992-T996 PolarHBondContact O-OG1 2.82Å; L993-T996 WeakPolarHBondContact O-CB 3.35Å; L993-T996 PolarHBondContact O-N 3.06Å; E994-T996 PolarHBondContact O-N 3.3Å; T996-Q999 PolarHBondContact O-N 2.95Å; T996-K1000 WeakPolarHBondContact O-CG 3.42Å; T996-K1000 PolarHBondContact O-N 3.11Å |
| 997 | L | 96.8 | Very high | 96.9 | Very high | 102 Ų | 102 | 96.1 Ų | 96.1 | 53% | 0.534 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.2 | -43.5 | 176.9 | -152.6 | 175.2 | 0 | 0 | 0 | 110.4 | L993 E994 Q999 K1000 N1001 | L993-L997 WeakPolarHBondContact O-CB 3.44Å; L993-L997 PolarHBondContact O-N 2.78Å; E994-L997 CarbonylContact O-C 3.58Å; E994-L997 WeakPolarHBondContact O-CA 3.5Å; E994-L997 WeakPolarHBondContact O-CB 3.41Å; E994-L997 PolarHBondContact O-N 2.8Å; L997-Q999 PolarHBondContact O-N 2.79Å; L997-K1000 CarbonylContact O-C 3.19Å; L997-K1000 PolarHBondContact O-N 3.15Å; L997-K1000 VanDerWaalsContact O-N 3.15Å; L997-N1001 VanDerWaalsContact CD2-ND2 3.34Å; L997-N1001 WeakPolarHBondContact CD2-ND2 3.37Å; L997-N1001 WeakPolarHBondContact O-CB 3.48Å; L997-N1001 PolarHBondContact O-N 3.47Å |
| 998 | E | 96.4 | Very high | 96.8 | Very high | 101 Ų | 101 | 94.6 Ų | 94.6 | 47% | 0.472 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -59.6 | -42.2 | 172.3 | -71.2 | 176.1 | 172.2 | 0 | 0 | 112.6 | E994 N1001 K1002 | E994-E998 WeakPolarHBondContact O-CG 3.45Å; E994-E998 PolarHBondContact O-N 3Å; E998-N1001 PolarHBondContact O-N 2.88Å; E998-K1002 WeakPolarHBondContact O-CD 3.42Å; E998-K1002 WeakPolarHBondContact O-CG 3.34Å; E998-K1002 PolarHBondContact O-N 2.88Å |
| 999 | Q | 97 | Very high | 96.6 | Very high | 111 Ų | 111 | 94.3 Ų | 94.3 | 52% | 0.519 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.4 | -45.2 | 173 | -173.5 | -172.7 | -42.6 | 0 | 0 | 110.6 | R995 T996 L997 N1001 K1002 E1003 | R995-Q999 WeakPolarHBondContact O-CB 3.44Å; R995-Q999 PolarHBondContact O-N 2.81Å; T996-Q999 PolarHBondContact O-N 2.95Å; L997-Q999 PolarHBondContact O-N 2.79Å; Q999-N1001 VanDerWaalsContact C-N 3.33Å; Q999-N1001 PolarHBondContact O-N 2.94Å; Q999-K1002 PolarHBondContact O-N 3.4Å; Q999-E1003 PolarHBondContact NE2-OE1 3.43Å; Q999-E1003 WeakPolarHBondContact O-CG 3.42Å; Q999-E1003 PolarHBondContact O-N 2.82Å |
| 1000 | K | 96.8 | Very high | 96.5 | Very high | 99 Ų | 99 | 91.6 Ų | 91.6 | 43% | 0.43 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -65.1 | -35 | 178.2 | -71.2 | -70.8 | 166.1 | -131.3 | 0 | 112.8 | T996 L997 E1003 I1004 | T996-K1000 WeakPolarHBondContact O-CG 3.42Å; T996-K1000 PolarHBondContact O-N 3.11Å; L997-K1000 CarbonylContact O-C 3.19Å; L997-K1000 PolarHBondContact O-N 3.15Å; L997-K1000 VanDerWaalsContact O-N 3.15Å; K1000-E1003 IonicContact NZ-OE1 2.71Å; K1000-E1003 PolarHBondContact NZ-OE1 3.19Å; K1000-E1003 IonicContact NZ-OE2 3.17Å; K1000-E1003 PolarHBondContact NZ-OE2 3.44Å; K1000-E1003 PolarHBondContact O-N 3.45Å; K1000-I1004 WeakPolarHBondContact O-CB 3.46Å; K1000-I1004 WeakPolarHBondContact O-CD1 3.22Å; K1000-I1004 WeakPolarHBondContact O-CG1 3.33Å; K1000-I1004 PolarHBondContact O-N 2.81Å |
| 1001 | N | 96.9 | Very high | 96.2 | Very high | 79 Ų | 79 | 91.7 Ų | 91.7 | 42% | 0.422 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.4 | -41.6 | 172.3 | -72.6 | -11.7 | 0 | 0 | 0 | 111.5 | L997 E998 Q999 I1004 E1005 | L997-N1001 VanDerWaalsContact CD2-ND2 3.34Å; L997-N1001 WeakPolarHBondContact CD2-ND2 3.37Å; L997-N1001 WeakPolarHBondContact O-CB 3.48Å; L997-N1001 PolarHBondContact O-N 3.47Å; E998-N1001 PolarHBondContact O-N 2.88Å; Q999-N1001 VanDerWaalsContact C-N 3.33Å; Q999-N1001 PolarHBondContact O-N 2.94Å; N1001-I1004 PolarHBondContact O-N 3.01Å; N1001-E1005 WeakPolarHBondContact O-CG 3.2Å; N1001-E1005 PolarHBondContact O-N 3.25Å |
| 1002 | K | 96.8 | Very high | 96 | Very high | 115 Ų | 115 | 94 Ų | 94 | 50% | 0.5 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.2 | -43.9 | 173.8 | -71 | 161.3 | -174.4 | 160.8 | 0 | 112.1 | E998 Q999 I1004 E1005 E1006 | E998-K1002 WeakPolarHBondContact O-CD 3.42Å; E998-K1002 WeakPolarHBondContact O-CG 3.34Å; E998-K1002 PolarHBondContact O-N 2.88Å; Q999-K1002 PolarHBondContact O-N 3.4Å; K1002-I1004 VanDerWaalsContact C-N 3.33Å; K1002-I1004 PolarHBondContact O-N 3.44Å; K1002-E1005 PolarHBondContact O-N 3.42Å; K1002-E1006 WeakPolarHBondContact O-CB 3.45Å; K1002-E1006 WeakPolarHBondContact O-CG 3.28Å; K1002-E1006 PolarHBondContact O-N 3.36Å |
| 1003 | E | 95.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 97.5 Ų | 97.5 | 29% | 0.294 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60 | -41.3 | 172.9 | -70.5 | 173.7 | -147.6 | 0 | 0 | 111.7 | Q999 K1000 E1006 L1007 | Q999-E1003 PolarHBondContact NE2-OE1 3.43Å; Q999-E1003 WeakPolarHBondContact O-CG 3.42Å; Q999-E1003 PolarHBondContact O-N 2.82Å; K1000-E1003 IonicContact NZ-OE1 2.71Å; K1000-E1003 PolarHBondContact NZ-OE1 3.19Å; K1000-E1003 IonicContact NZ-OE2 3.17Å; K1000-E1003 PolarHBondContact NZ-OE2 3.44Å; K1000-E1003 PolarHBondContact O-N 3.45Å; E1003-E1006 PolarHBondContact O-N 3.38Å; E1003-L1007 WeakPolarHBondContact O-CB 3.16Å; E1003-L1007 WeakPolarHBondContact O-CG 3.44Å; E1003-L1007 PolarHBondContact O-N 2.88Å |
| 1004 | I | 95.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 97.5 Ų | 97.5 | 50% | 0.497 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.2 | -42.7 | 175.6 | -71.8 | 163 | 0 | 0 | 0 | 111.2 | K1000 N1001 K1002 L1007 T1008 | K1000-I1004 WeakPolarHBondContact O-CB 3.46Å; K1000-I1004 WeakPolarHBondContact O-CD1 3.22Å; K1000-I1004 WeakPolarHBondContact O-CG1 3.33Å; K1000-I1004 PolarHBondContact O-N 2.81Å; N1001-I1004 PolarHBondContact O-N 3.01Å; K1002-I1004 VanDerWaalsContact C-N 3.33Å; K1002-I1004 PolarHBondContact O-N 3.44Å; I1004-L1007 PolarHBondContact O-N 2.93Å; I1004-T1008 VanDerWaalsContact O-CB 3.3Å; I1004-T1008 WeakPolarHBondContact O-CB 3.49Å; I1004-T1008 PolarHBondContact O-N 3.43Å; I1004-T1008 PolarHBondContact O-OG1 3.13Å |
| 1005 | E | 95.7 | Very high | 95.2 | Very high | 101 Ų | 101 | 98.2 Ų | 98.2 | 47% | 0.472 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.4 | -43.2 | 174.4 | -79.4 | -175.3 | -140.5 | 0 | 0 | 112 | N1001 K1002 T1008 K1009 | N1001-E1005 WeakPolarHBondContact O-CG 3.2Å; N1001-E1005 PolarHBondContact O-N 3.25Å; K1002-E1005 PolarHBondContact O-N 3.42Å; E1005-T1008 PolarHBondContact O-N 2.87Å; E1005-K1009 WeakPolarHBondContact O-CB 3.34Å; E1005-K1009 VanDerWaalsContact O-CD 3.28Å; E1005-K1009 WeakPolarHBondContact O-CD 3.36Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.83Å; E1005-K1009 IonicContact OE2-NZ 2.88Å; E1005-K1009 PolarHBondContact OE2-NZ 2.97Å |
| 1006 | E | 95.8 | Very high | 94.8 | Very high | 118 Ų | 118 | 93.8 Ų | 93.8 | 55% | 0.551 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -66.2 | -44.5 | 177.7 | -74.5 | 174.1 | -169.7 | 0 | 0 | 111.5 | K1002 E1003 T1008 K1009 I1010 | K1002-E1006 WeakPolarHBondContact O-CB 3.45Å; K1002-E1006 WeakPolarHBondContact O-CG 3.28Å; K1002-E1006 PolarHBondContact O-N 3.36Å; E1003-E1006 PolarHBondContact O-N 3.38Å; E1006-T1008 VanDerWaalsContact C-N 3.3Å; E1006-T1008 PolarHBondContact O-N 2.87Å; E1006-K1009 PolarHBondContact O-N 2.92Å; E1006-I1010 WeakPolarHBondContact O-CD1 3.26Å; E1006-I1010 VanDerWaalsContact O-CG1 3.26Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; E1006-I1010 PolarHBondContact O-N 3.47Å |
| 1007 | L | 95.9 | Very high | 94.2 | Very high | 105 Ų | 105 | 96 Ų | 96 | 55% | 0.55 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 172.6 | -72.6 | 169.4 | 0 | 0 | 0 | 111.9 | E1003 I1004 I1010 C1011 | E1003-L1007 WeakPolarHBondContact O-CB 3.16Å; E1003-L1007 WeakPolarHBondContact O-CG 3.44Å; E1003-L1007 PolarHBondContact O-N 2.88Å; I1004-L1007 PolarHBondContact O-N 2.93Å; L1007-I1010 PolarHBondContact O-N 3.33Å; L1007-C1011 PolarHBondContact O-N 2.67Å; L1007-C1011 PolarHBondContact O-SG 3.47Å |
| 1008 | T | 94.4 | Very high | 93.5 | Very high | 67 Ų | 67 | 98.1 Ų | 98.1 | 41% | 0.411 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.9 | -47.4 | 176.3 | -56 | 0 | 0 | 0 | 0 | 110.6 | I1004 E1005 E1006 I1010 C1011 D1012 | I1004-T1008 VanDerWaalsContact O-CB 3.3Å; I1004-T1008 WeakPolarHBondContact O-CB 3.49Å; I1004-T1008 PolarHBondContact O-N 3.43Å; I1004-T1008 PolarHBondContact O-OG1 3.13Å; E1005-T1008 PolarHBondContact O-N 2.87Å; E1006-T1008 VanDerWaalsContact C-N 3.3Å; E1006-T1008 PolarHBondContact O-N 2.87Å; T1008-I1010 VanDerWaalsContact C-N 3.28Å; T1008-I1010 PolarHBondContact O-N 3.48Å; T1008-C1011 WeakPolarHBondContact O-CB 3.5Å; T1008-C1011 PolarHBondContact O-N 3.06Å; T1008-D1012 PolarHBondContact O-N 3.32Å |
| 1009 | K | 95.6 | Very high | 92.3 | Very high | 107 Ų | 107 | 96.6 Ų | 96.6 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.8 | -40.7 | 174.3 | -69.7 | 156.3 | -163.2 | 162.1 | 0 | 111.7 | E1005 E1006 E1013 | E1005-K1009 WeakPolarHBondContact O-CB 3.34Å; E1005-K1009 VanDerWaalsContact O-CD 3.28Å; E1005-K1009 WeakPolarHBondContact O-CD 3.36Å; E1005-K1009 WeakPolarHBondContact O-CG 3.3Å; E1005-K1009 PolarHBondContact O-N 2.83Å; E1005-K1009 IonicContact OE2-NZ 2.88Å; E1005-K1009 PolarHBondContact OE2-NZ 2.97Å; E1006-K1009 PolarHBondContact O-N 2.92Å; K1009-E1013 WeakPolarHBondContact O-CB 3.44Å; K1009-E1013 PolarHBondContact O-N 3.27Å |
| 1010 | I | 94.8 | Very high | 90.6 | Very high | 96 Ų | 96 | 99.3 Ų | 99.3 | 49% | 0.492 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | 175 | -68.6 | 163 | 0 | 0 | 0 | 111.5 | E1006 L1007 T1008 E1013 L1014 | E1006-I1010 WeakPolarHBondContact O-CD1 3.26Å; E1006-I1010 VanDerWaalsContact O-CG1 3.26Å; E1006-I1010 WeakPolarHBondContact O-CG1 3.49Å; E1006-I1010 PolarHBondContact O-N 3.47Å; L1007-I1010 PolarHBondContact O-N 3.33Å; T1008-I1010 VanDerWaalsContact C-N 3.28Å; T1008-I1010 PolarHBondContact O-N 3.48Å; I1010-E1013 PolarHBondContact O-N 3.17Å; I1010-L1014 HydrophobicContact CG2-CD1 4.06Å; I1010-L1014 WeakPolarHBondContact O-CB 3.49Å; I1010-L1014 VanDerWaalsContact O-CG 3.3Å; I1010-L1014 WeakPolarHBondContact O-CG 3.36Å; I1010-L1014 PolarHBondContact O-N 2.89Å |
| 1011 | C | 91.6 | Very high | 88.3 | Confident | 66 Ų | 66 | 102.7 Ų | 102.7 | 45% | 0.446 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.4 | -46.3 | 175.2 | -67.2 | 0 | 0 | 0 | 0 | 111.8 | L1007 T1008 E1013 L1014 I1015 | L1007-C1011 PolarHBondContact O-N 2.67Å; L1007-C1011 PolarHBondContact O-SG 3.47Å; T1008-C1011 WeakPolarHBondContact O-CB 3.5Å; T1008-C1011 PolarHBondContact O-N 3.06Å; C1011-E1013 PolarHBondContact O-N 2.89Å; C1011-L1014 WeakPolarHBondContact O-CB 3.3Å; C1011-L1014 PolarHBondContact O-N 3.49Å; C1011-L1014 VanDerWaalsContact O-N 3.17Å; C1011-I1015 VanDerWaalsContact O-CG1 3.3Å; C1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; C1011-I1015 PolarHBondContact O-N 3.48Å |
| 1012 | D | 94.1 | Very high | 87.8 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.2 | -40.7 | 177.2 | -70.9 | -27.2 | 0 | 0 | 0 | 111.6 | T1008 L1014 I1015 A1016 | T1008-D1012 PolarHBondContact O-N 3.32Å; D1012-L1014 PolarHBondContact O-N 2.83Å; D1012-I1015 PolarHBondContact O-N 3.02Å; D1012-A1016 WeakPolarHBondContact O-CB 3.18Å; D1012-A1016 PolarHBondContact O-N 3.44Å |
| 1013 | E | 91.9 | Very high | 87.4 | Confident | 110 Ų | 110 | 103.3 Ų | 103.3 | 51% | 0.514 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -61 | -40.8 | 171.9 | -91 | -161.6 | -137.9 | 0 | 0 | 112.7 | K1009 I1010 C1011 A1016 K1017 | K1009-E1013 WeakPolarHBondContact O-CB 3.44Å; K1009-E1013 PolarHBondContact O-N 3.27Å; I1010-E1013 PolarHBondContact O-N 3.17Å; C1011-E1013 PolarHBondContact O-N 2.89Å; E1013-A1016 PolarHBondContact O-N 2.79Å; E1013-K1017 WeakPolarHBondContact O-CB 3.48Å; E1013-K1017 VanDerWaalsContact O-CD 3.28Å; E1013-K1017 WeakPolarHBondContact O-CD 3.33Å; E1013-K1017 WeakPolarHBondContact O-CG 3.28Å; E1013-K1017 PolarHBondContact O-N 3.41Å; E1013-K1017 WeakPolarHBondContact OE2-CE 3.17Å; E1013-K1017 IonicContact OE2-NZ 2.6Å; E1013-K1017 PolarHBondContact OE2-NZ 3.47Å |
| 1014 | L | 92.6 | Very high | 86.9 | Confident | 101 Ų | 101 | 105.6 Ų | 105.6 | 53% | 0.529 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -66.8 | -45.1 | 177.1 | -75.9 | 165.3 | 0 | 0 | 0 | 111 | I1010 C1011 D1012 A1016 K1017 M1018 | I1010-L1014 HydrophobicContact CG2-CD1 4.06Å; I1010-L1014 WeakPolarHBondContact O-CB 3.49Å; I1010-L1014 VanDerWaalsContact O-CG 3.3Å; I1010-L1014 WeakPolarHBondContact O-CG 3.36Å; I1010-L1014 PolarHBondContact O-N 2.89Å; C1011-L1014 WeakPolarHBondContact O-CB 3.3Å; C1011-L1014 PolarHBondContact O-N 3.49Å; C1011-L1014 VanDerWaalsContact O-N 3.17Å; D1012-L1014 PolarHBondContact O-N 2.83Å; L1014-A1016 VanDerWaalsContact C-N 3.33Å; L1014-A1016 PolarHBondContact O-N 2.63Å; L1014-K1017 PolarHBondContact O-N 2.87Å; L1014-M1018 WeakPolarHBondContact O-CG 3.21Å; L1014-M1018 PolarHBondContact O-N 3.31Å |
| 1015 | I | 90.1 | Very high | 86.4 | Confident | 116 Ų | 116 | 106.1 Ų | 106.1 | 60% | 0.595 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.5 | -45 | 174.3 | -67.5 | 163.4 | 0 | 0 | 0 | 110.3 | C1011 D1012 K1017 M1018 G1019 | C1011-I1015 VanDerWaalsContact O-CG1 3.3Å; C1011-I1015 WeakPolarHBondContact O-CG1 3.3Å; C1011-I1015 PolarHBondContact O-N 3.48Å; D1012-I1015 PolarHBondContact O-N 3.02Å; I1015-K1017 VanDerWaalsContact C-N 3.26Å; I1015-K1017 PolarHBondContact O-N 3.32Å; I1015-M1018 PolarHBondContact O-N 3.19Å; I1015-G1019 PolarHBondContact O-N 2.97Å |
| 1016 | A | 89.4 | Confident | 85.8 | Confident | 46 Ų | 46 | 106.4 Ų | 106.4 | 38% | 0.38 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73 | -10.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | D1012 E1013 L1014 K1020 | D1012-A1016 WeakPolarHBondContact O-CB 3.18Å; D1012-A1016 PolarHBondContact O-N 3.44Å; E1013-A1016 PolarHBondContact O-N 2.79Å; L1014-A1016 VanDerWaalsContact C-N 3.33Å; L1014-A1016 PolarHBondContact O-N 2.63Å; A1016-K1020 WeakPolarHBondContact O-CD 3.16Å; A1016-K1020 WeakPolarHBondContact O-CE 3.46Å; A1016-K1020 PolarHBondContact O-NZ 2.99Å |
| 1017 | K | 85.7 | Confident | 85.2 | Confident | 122 Ų | 122 | 105.6 Ų | 105.6 | 53% | 0.53 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -91.1 | -44 | 168.4 | -73.1 | 160.3 | -166.4 | 164.3 | 0 | 110.8 | E1013 L1014 I1015 K1020 | E1013-K1017 WeakPolarHBondContact O-CB 3.48Å; E1013-K1017 VanDerWaalsContact O-CD 3.28Å; E1013-K1017 WeakPolarHBondContact O-CD 3.33Å; E1013-K1017 WeakPolarHBondContact O-CG 3.28Å; E1013-K1017 PolarHBondContact O-N 3.41Å; E1013-K1017 WeakPolarHBondContact OE2-CE 3.17Å; E1013-K1017 IonicContact OE2-NZ 2.6Å; E1013-K1017 PolarHBondContact OE2-NZ 3.47Å; L1014-K1017 PolarHBondContact O-N 2.87Å; I1015-K1017 VanDerWaalsContact C-N 3.26Å; I1015-K1017 PolarHBondContact O-N 3.32Å; K1017-K1020 PolarHBondContact O-N 2.91Å |
| 1018 | M | 81.1 | Confident | 84.4 | Confident | 148 Ų | 148 | 105.6 Ų | 105.6 | 73% | 0.729 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -64.8 | -40.9 | 177.2 | -69.8 | -64.8 | -66.3 | 0 | 0 | 112.6 | L1014 I1015 K1020 S1021 | L1014-M1018 WeakPolarHBondContact O-CG 3.21Å; L1014-M1018 PolarHBondContact O-N 3.31Å; I1015-M1018 PolarHBondContact O-N 3.19Å; M1018-K1020 PolarHBondContact O-N 3.46Å; M1018-S1021 PolarHBondContact O-N 2.82Å |
| 1019 | G | 71.8 | Confident | 83.6 | Confident | 69 Ų | 69 | 108.6 Ų | 108.6 | 71% | 0.711 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 18.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | I1015 | I1015-G1019 PolarHBondContact O-N 2.97Š|
| 1020 | K | 61.2 | Low | 82.6 | Confident | 168 Ų | 168 | 108.8 Ų | 108.8 | 73% | 0.73 | 61% | 0.612 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.3 | 14.5 | 179.5 | -64.9 | 179.1 | -173.8 | 145.5 | 0 | 113.1 | A1016 K1017 M1018 | A1016-K1020 WeakPolarHBondContact O-CD 3.16Å; A1016-K1020 WeakPolarHBondContact O-CE 3.46Å; A1016-K1020 PolarHBondContact O-NZ 2.99Å; K1017-K1020 PolarHBondContact O-N 2.91Å; M1018-K1020 PolarHBondContact O-N 3.46Å |
| 1021 | S | 47.3 | Very low | 81.5 | Confident | 170 Ų | 170 | 109.9 Ų | 109.9 | 100% | 1.189 | 62% | 0.623 | S | S | * | * | trans | -103.4 | 0 | 174.4 | -58.6 | 0 | 0 | 0 | 0 | 111.1 | M1018 | M1018-S1021 PolarHBondContact O-N 2.82Š|
Retrieved 1,021 of 1,021 residues in 216.1 ms
(Link to these results)