| 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 | S | 38.3 | Very low | 39.6 | Very low | 166 Ų | 166 | 155.7 Ų | 155.7 | 100% | 1.161 | 86% | 0.855 | S | S | * | * | 0 | 135.6 | 0 | -50.8 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 2 | Y | 31.2 | Very low | 40.5 | Very low | 239 Ų | 239 | 158.8 Ų | 158.8 | 94% | 0.937 | 85% | 0.854 | S | S | * | * | trans | 57.3 | 118.1 | -177.3 | -79.4 | -82.6 | 0 | 0 | 0 | 117.3 | ||||
| 3 | S | 35.4 | Very low | 40.7 | Very low | 107 Ų | 107 | 158.2 Ų | 158.2 | 75% | 0.748 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 156.9 | 172.9 | -52.3 | 0 | 0 | 0 | 0 | 110.2 | ||
| 4 | M | 39.2 | Very low | 41.4 | Very low | 187 Ų | 187 | 156.4 Ų | 156.4 | 92% | 0.921 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 135.3 | 163 | -75.2 | -67.6 | -173.6 | 0 | 0 | 109.8 | G6 | M4-G6 PolarHBondContact O-N 2.8Š|
| 5 | N | 38.7 | Very low | 42 | Very low | 146 Ų | 146 | 152.4 Ų | 152.4 | 78% | 0.781 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 117.5 | 171.6 | -74.2 | 9.9 | 0 | 0 | 0 | 109.4 | ||
| 6 | G | 35.5 | Very low | 42.5 | Very low | 74 Ų | 74 | 150.2 Ų | 150.2 | 76% | 0.763 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73 | 126.7 | 163.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | M4 | M4-G6 PolarHBondContact O-N 2.8Š|
| 7 | F | 39.2 | Very low | 42.7 | Very low | 208 Ų | 208 | 151.1 Ų | 151.1 | 91% | 0.912 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 122.7 | 162.9 | -91.3 | -99.3 | 0 | 0 | 0 | 108.3 | ||
| 8 | S | 36.2 | Very low | 43.2 | Very low | 97 Ų | 97 | 149.4 Ų | 149.4 | 68% | 0.678 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 146.9 | 179.7 | 46.1 | 0 | 0 | 0 | 0 | 112 | E10 | S8-E10 PolarHBondContact O-N 3.06Š|
| 9 | D | 43.7 | Very low | 43.6 | Very low | 170 Ų | 170 | 146.9 Ų | 146.9 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -79.1 | 46.8 | -174.4 | -152.3 | -130.6 | 0 | 0 | 0 | 112.7 | ||
| 10 | E | 51.6 | Low | 43.8 | Very low | 171 Ų | 171 | 145.8 Ų | 145.8 | 80% | 0.799 | 81% | 0.809 | S | S | * | * | trans | -123.3 | 36.2 | -159.4 | -77.2 | -99.7 | 90.3 | 0 | 0 | 113.9 | S8 | S8-E10 PolarHBondContact O-N 3.06Š| ||
| 11 | D | 47 | Very low | 43.7 | Very low | 148 Ų | 148 | 145.5 Ų | 145.5 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | -139.6 | 45.1 | 174 | -161.8 | -143.9 | 0 | 0 | 0 | 114.4 | ||||
| 12 | F | 50.1 | Low | 44.2 | Very low | 192 Ų | 192 | 145.5 Ų | 145.5 | 84% | 0.842 | 80% | 0.798 | S | S | * | * | trans | -122.4 | 36.2 | 168.1 | -88.7 | -72.3 | 0 | 0 | 0 | 113 | I14 | F12-I14 PolarHBondContact O-N 3.13Š| ||
| 13 | N | 43.1 | Very low | 44.9 | Very low | 151 Ų | 151 | 139 Ų | 139 | 81% | 0.807 | 79% | 0.785 | S | S | * | * | trans | -81.6 | 83 | 175.2 | -159.8 | -22.9 | 0 | 0 | 0 | 111 | P15 | N13-P15 WeakPolarHBondContact O-CD 3.38Š| ||
| 14 | I | 50.2 | Low | 45 | Very low | 134 Ų | 134 | 140.1 Ų | 140.1 | 69% | 0.687 | 78% | 0.782 | S | S | * | * | trans | -71.4 | 115.4 | 177.1 | -56.9 | 174.7 | 0 | 0 | 0 | 108.8 | F12 | F12-I14 PolarHBondContact O-N 3.13Š| ||
| 15 | P | 50.3 | Low | 44.9 | Very low | 96 Ų | 96 | 139.1 Ų | 139.1 | 62% | 0.623 | 78% | 0.775 | S | S | * | * | trans | -67.5 | 144.4 | 179 | 28.1 | -34.6 | 0 | 0 | 0 | 111.1 | N13 | N13-P15 WeakPolarHBondContact O-CD 3.38Š| ||
| 16 | P | 51 | Low | 44.7 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | trans | -63.6 | 137.7 | -178.3 | 25.9 | -34.2 | 0 | 0 | 0 | 111.7 | T18 | P16-T18 PolarHBondContact O-N 2.7Š| ||
| 17 | I | 46 | Very low | 44.6 | Very low | 166 Ų | 166 | 140 Ų | 140 | 85% | 0.851 | 78% | 0.776 | S | S | * | * | trans | -76.2 | 94.6 | -175.8 | -53.9 | 173.8 | 0 | 0 | 0 | 109.9 | ||||
| 18 | T | 50 | Low | 44.5 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 124.4 | 171.2 | -54.4 | 0 | 0 | 0 | 0 | 110.3 | P16 | P16-T18 PolarHBondContact O-N 2.7Š|
| 19 | P | 52 | Low | 44.2 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 66% | 0.656 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 145.9 | 176.3 | 29.5 | -34.5 | 0 | 0 | 0 | 111.2 | T21 | P19-T21 PolarHBondContact O-N 3.34Š|
| 20 | P | 47.7 | Very low | 43.6 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.7 | 127.9 | 179.7 | 28.1 | -34.2 | 0 | 0 | 0 | 111.2 | ||
| 21 | T | 41.8 | Very low | 42.6 | Very low | 140 Ų | 140 | 133.8 Ų | 133.8 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 127.1 | 175.4 | 28.7 | 0 | 0 | 0 | 0 | 111.5 | P19 | P19-T21 PolarHBondContact O-N 3.34Š|
| 22 | L | 47.3 | Very low | 41.7 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 135.2 | 168.6 | -72.2 | 165.3 | 0 | 0 | 0 | 109.7 | D24 | L22-D24 PolarHBondContact O-N 3.34Å; L22-D24 VanDerWaalsContact O-N 3.16Å |
| 23 | P | 46.7 | Very low | 41 | Very low | 103 Ų | 103 | 132.2 Ų | 132.2 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | trans | -80.3 | 92.8 | 173 | 31.7 | -32.6 | 0 | 0 | 0 | 110.4 | H25 | P23-H25 PolarHBondContact O-N 3.03Å; P23-H25 PolarHBondContact O-ND1 3.02Å | ||
| 24 | D | 37.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 132 Ų | 132 | 70% | 0.695 | 76% | 0.759 | S | S | * | * | trans | -62.9 | 133.1 | 162.8 | -160.2 | -56.5 | 0 | 0 | 0 | 109.3 | L22 T26 | L22-D24 PolarHBondContact O-N 3.34Å; L22-D24 VanDerWaalsContact O-N 3.16Å; D24-T26 PolarHBondContact OD1-N 3.14Å; D24-T26 PolarHBondContact OD1-OG1 3.32Å | ||
| 25 | H | 36.8 | Very low | 39.7 | Very low | 165 Ų | 165 | 130.7 Ų | 130.7 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | -142.6 | 52.2 | 175.5 | 51.5 | -78.2 | 0 | 0 | 0 | 110.9 | P23 | P23-H25 PolarHBondContact O-N 3.03Å; P23-H25 PolarHBondContact O-ND1 3.02Å | ||
| 26 | T | 35.9 | Very low | 38.7 | Very low | 114 Ų | 114 | 132.1 Ų | 132.1 | 70% | 0.699 | 77% | 0.765 | S | S | * | * | trans | -97.3 | 78.6 | 172.2 | 53.3 | 0 | 0 | 0 | 0 | 113 | D24 | D24-T26 PolarHBondContact OD1-N 3.14Å; D24-T26 PolarHBondContact OD1-OG1 3.32Å | ||
| 27 | S | 32.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 134.4 Ų | 134.4 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -164.8 | 128.9 | 157.1 | -85.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 28 | A | 36.1 | Very low | 36.9 | Very low | 99 Ų | 99 | 135.8 Ų | 135.8 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -133.2 | 115.9 | -176.9 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 29 | V | 30.8 | Very low | 36 | Very low | 146 Ų | 146 | 139.4 Ų | 139.4 | 89% | 0.885 | 77% | 0.766 | S | S | * | * | trans | -155.9 | 139.3 | 170.1 | -179.2 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 30 | H | 31 | Very low | 35.1 | Very low | 166 Ų | 166 | 142.5 Ų | 142.5 | 77% | 0.769 | 77% | 0.771 | S | S | * | * | cis | -178.6 | 165.6 | -20.2 | 175.7 | -141.8 | 0 | 0 | 0 | 104.9 | ||||
| 31 | V | 30.5 | Very low | 34.1 | Very low | 104 Ų | 104 | 140 Ų | 140 | 63% | 0.63 | 77% | 0.768 | S | S | * | * | trans | 69.6 | 131.2 | 170.9 | -170.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 32 | E | 28.8 | Very low | 33.5 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 76% | 0.757 | 76% | 0.764 | S | S | * | * | cis | -149.4 | 168.3 | -14.3 | -125 | 174.2 | 165.2 | 0 | 0 | 109.9 | ||||
| 33 | N | 34.5 | Very low | 33.1 | Very low | 146 Ų | 146 | 138.5 Ų | 138.5 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -120.6 | 108.9 | 173.6 | -179.4 | 8.8 | 0 | 0 | 0 | 109.7 | ||||
| 34 | I | 33.5 | Very low | 33.6 | Very low | 145 Ų | 145 | 138.6 Ų | 138.6 | 74% | 0.744 | 76% | 0.763 | S | S | * | * | trans | -123.2 | 140.8 | 176.1 | -63.6 | -177.1 | 0 | 0 | 0 | 109.7 | ||||
| 35 | V | 32.4 | Very low | 33.3 | Very low | 108 Ų | 108 | 140.3 Ų | 140.3 | 66% | 0.655 | 77% | 0.772 | S | S | * | * | trans | -101.2 | 167.1 | -162.8 | 171.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 36 | T | 30.5 | Very low | 33.5 | Very low | 125 Ų | 125 | 136.3 Ų | 136.3 | 77% | 0.767 | 76% | 0.762 | S | S | * | * | trans | 74 | 145.8 | 170.7 | 16.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 37 | Q | 30.1 | Very low | 33.6 | Very low | 165 Ų | 165 | 139.6 Ų | 139.6 | 77% | 0.771 | 77% | 0.769 | S | S | * | * | cis | -125.5 | 146.1 | 4.1 | -54.5 | -176.5 | 45 | 0 | 0 | 109.3 | ||||
| 38 | R | 29.2 | Very low | 33.7 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | 54 | 109.3 | 68.3 | -130.3 | -116.9 | -77 | -146 | 0.8 | 114.9 | |||||
| 39 | F | 29.7 | Very low | 33.7 | Very low | 197 Ų | 197 | 137 Ų | 137 | 86% | 0.864 | 76% | 0.762 | S | S | * | * | -152.6 | 156.7 | 129.8 | -124.7 | -83.2 | 0 | 0 | 0 | 110.5 | |||||
| 40 | E | 32.6 | Very low | 34 | Very low | 165 Ų | 165 | 137 Ų | 137 | 77% | 0.771 | 76% | 0.762 | S | S | * | * | trans | -116.5 | 160.7 | -170.8 | -76.1 | -175.4 | 88.7 | 0 | 0 | 114.2 | ||||
| 41 | G | 27.8 | Very low | 34.2 | Very low | 73 Ų | 73 | 136.5 Ų | 136.5 | 75% | 0.753 | 76% | 0.764 | S | S | * | * | trans | 177.1 | 128.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 42 | C | 28.9 | Very low | 35 | Very low | 115 Ų | 115 | 136.9 Ų | 136.9 | 78% | 0.777 | 77% | 0.768 | S | S | * | * | cis | -160.4 | 121.5 | -3.1 | -159.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 43 | L | 38.8 | Very low | 35.2 | Very low | 160 Ų | 160 | 134.9 Ų | 134.9 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 67.1 | 160.2 | 148.4 | -67.3 | 177.6 | 0 | 0 | 0 | 122 | ||||
| 44 | P | 57.4 | Low | 36 | Very low | 105 Ų | 105 | 133.7 Ų | 133.7 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | -138.8 | -168.4 | -144.6 | 46.4 | -29.3 | 0 | 0 | 0 | 115.9 | ||||
| 45 | L | 31.2 | Very low | 36.7 | Very low | 166 Ų | 166 | 132.5 Ų | 132.5 | 87% | 0.869 | 77% | 0.774 | S | S | * | * | trans | -147.6 | 125.8 | 138.6 | -152.5 | 63.3 | 0 | 0 | 0 | 115.2 | ||||
| 46 | S | 41.2 | Very low | 36.9 | Very low | 80 Ų | 80 | 135.5 Ų | 135.5 | 56% | 0.559 | 78% | 0.781 | S | S | * | * | trans | -24.5 | 157.6 | 166.3 | -43.1 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 47 | H | 37.6 | Very low | 37.6 | Very low | 183 Ų | 183 | 134.4 Ų | 134.4 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | cis | -148.8 | 169.3 | 36.8 | -76.5 | 86.6 | 0 | 0 | 0 | 115.9 | ||||
| 48 | A | 35.4 | Very low | 37.9 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 88% | 0.876 | 78% | 0.781 | S | S | * | * | trans | -26 | 156.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 49 | G | 35 | Very low | 38 | Very low | 65 Ų | 65 | 127.1 Ų | 127.1 | 67% | 0.67 | 79% | 0.787 | S | S | * | * | cis | 146.2 | 143.9 | -10.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 50 | V | 37.1 | Very low | 38.3 | Very low | 145 Ų | 145 | 125.3 Ų | 125.3 | 88% | 0.879 | 79% | 0.785 | S | S | * | * | trans | 71.4 | 128.2 | 155.3 | -176.2 | 0 | 0 | 0 | 0 | 116 | ||||
| 51 | L | 36.8 | Very low | 38.6 | Very low | 156 Ų | 156 | 124 Ų | 124 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | cis | -135.9 | 157.2 | 16.2 | -106.5 | 179.6 | 0 | 0 | 0 | 112.2 | ||||
| 52 | P | 46.8 | Very low | 38.9 | Very low | 111 Ų | 111 | 129 Ų | 129 | 72% | 0.721 | 78% | 0.784 | S | S | * | * | trans | -113.3 | 171.3 | 167.1 | 40.3 | -31.2 | 0 | 0 | 0 | 114.5 | ||||
| 53 | S | 33.6 | Very low | 39.6 | Very low | 120 Ų | 120 | 127.5 Ų | 127.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -146.6 | 156 | 167.7 | -82.9 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 54 | P | 49.3 | Very low | 39.5 | Very low | 122 Ų | 122 | 125.5 Ų | 125.5 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | trans | -91.3 | 165.5 | -160.6 | 35.4 | -37.5 | 0 | 0 | 0 | 116.7 | ||||
| 55 | P | 49.6 | Very low | 39 | Very low | 119 Ų | 119 | 127.8 Ų | 127.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | trans | -101 | -176.4 | -175.2 | 41.1 | -37.6 | 0 | 0 | 0 | 114.8 | ||||
| 56 | Q | 35.5 | Very low | 39.9 | Very low | 172 Ų | 172 | 126.4 Ų | 126.4 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 120.4 | 153.6 | 165.6 | -69.9 | -68.8 | 14.2 | 0 | 0 | 113.6 | ||||
| 57 | P | 46.4 | Very low | 39.8 | Very low | 102 Ų | 102 | 127.3 Ų | 127.3 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | cis | -134.9 | -179.4 | -18 | 37.8 | -20.1 | 0 | 0 | 0 | 115.2 | ||||
| 58 | S | 35.5 | Very low | 40.5 | Very low | 124 Ų | 124 | 124.1 Ų | 124.1 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | 56.1 | 116.3 | 147.2 | -64.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 59 | G | 31.9 | Very low | 41.1 | Very low | 84 Ų | 84 | 125.1 Ų | 125.1 | 87% | 0.866 | 76% | 0.764 | S | S | * | * | trans | -155.2 | 80.5 | 166.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 60 | L | 36.7 | Very low | 41.6 | Very low | 158 Ų | 158 | 127 Ų | 127 | 83% | 0.827 | 76% | 0.758 | S | S | * | * | trans | -100.6 | 119.8 | -174 | -165.1 | -175.2 | 0 | 0 | 0 | 110.6 | ||||
| 61 | L | 38 | Very low | 42.2 | Very low | 137 Ų | 137 | 126 Ų | 126 | 72% | 0.717 | 75% | 0.747 | S | S | * | * | trans | -161 | 129.6 | 150.2 | -84.4 | -160.1 | 0 | 0 | 0 | 114.6 | ||||
| 62 | K | 33.2 | Very low | 42.7 | Very low | 180 Ų | 180 | 124.7 Ų | 124.7 | 78% | 0.783 | 74% | 0.737 | S | S | * | * | trans | 57.8 | 91.8 | 139.9 | -61.9 | 171.6 | -174.9 | 171 | 0 | 120.5 | ||||
| 63 | G | 43.9 | Very low | 42.8 | Very low | 82 Ų | 82 | 121.3 Ų | 121.3 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | 72.3 | 97.1 | 110.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 64 | T | 37.4 | Very low | 43.5 | Very low | 119 Ų | 119 | 118.9 Ų | 118.9 | 73% | 0.73 | 70% | 0.695 | S | S | * | * | trans | -124.2 | 109.2 | 161.9 | -57 | 0 | 0 | 0 | 0 | 110.2 | I66 | T64-I66 VanDerWaalsContact C-N 3.35Å; T64-I66 HydrophobicContact CG2-CG1 4.11Å; T64-I66 PolarHBondContact O-N 3.44Å | ||
| 65 | V | 47.5 | Very low | 43.6 | Very low | 152 Ų | 152 | 115.3 Ų | 115.3 | 92% | 0.921 | 68% | 0.676 | S | S | * | * | trans | -75.4 | 91.3 | 165.6 | 178.7 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 66 | I | 48.9 | Very low | 43.7 | Very low | 137 Ų | 137 | 114.8 Ų | 114.8 | 70% | 0.703 | 67% | 0.665 | S | S | * | * | trans | -69.2 | 135.1 | -176.4 | -24.2 | 179.3 | 0 | 0 | 0 | 109.7 | T64 T68 | T64-I66 VanDerWaalsContact C-N 3.35Å; T64-I66 HydrophobicContact CG2-CG1 4.11Å; T64-I66 PolarHBondContact O-N 3.44Å; I66-T68 PolarHBondContact O-N 3.31Å | ||
| 67 | N | 40 | Very low | 44.3 | Very low | 100 Ų | 100 | 113.5 Ų | 113.5 | 54% | 0.535 | 66% | 0.657 | S | S | . | * | trans | -80.2 | 94.2 | -160.6 | -162.3 | -32.3 | 0 | 0 | 0 | 112.8 | H69 L70 | N67-H69 PolarHBondContact O-N 3.49Å; N67-H69 VanDerWaalsContact O-N 3.08Å; N67-H69 WeakPolarHBondContact OD1-CB 3.31Å; N67-H69 PolarHBondContact OD1-N 2.97Å; N67-L70 HydrophobicContact CB-CB 4.41Å; N67-L70 WeakPolarHBondContact O-CB 3.12Å; N67-L70 PolarHBondContact O-N 2.9Å | ||
| 68 | T | 52.7 | Low | 44.4 | Very low | 115 Ų | 115 | 112.3 Ų | 112.3 | 71% | 0.706 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -52.7 | -31.8 | -178.6 | -41.7 | 0 | 0 | 0 | 0 | 113.5 | I66 L70 L71 Q72 | I66-T68 PolarHBondContact O-N 3.31Å; T68-L70 VanDerWaalsContact C-N 3.3Å; T68-L70 PolarHBondContact O-N 3.47Å; T68-L71 PolarHBondContact O-N 2.59Å; T68-Q72 PolarHBondContact O-N 3.33Å |
| 69 | H | 47.2 | Very low | 45.3 | Very low | 128 Ų | 128 | 110.5 Ų | 110.5 | 59% | 0.593 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.5 | -30.4 | 177.1 | -176.2 | -115.6 | 0 | 0 | 0 | 112.9 | N67 T73 | N67-H69 PolarHBondContact O-N 3.49Å; N67-H69 VanDerWaalsContact O-N 3.08Å; N67-H69 WeakPolarHBondContact OD1-CB 3.31Å; N67-H69 PolarHBondContact OD1-N 2.97Å; H69-T73 WeakPolarHBondContact O-CB 3.36Å; H69-T73 WeakPolarHBondContact O-CG2 3.43Å; H69-T73 PolarHBondContact O-N 3.11Å; H69-T73 PolarHBondContact O-OG1 3.48Å |
| 70 | L | 46.7 | Very low | 46.1 | Very low | 104 Ų | 104 | 111.6 Ų | 111.6 | 55% | 0.545 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -73.9 | -37.9 | 178.4 | -172 | 59.1 | 0 | 0 | 0 | 112.1 | N67 T68 T73 T74 | N67-L70 HydrophobicContact CB-CB 4.41Å; N67-L70 WeakPolarHBondContact O-CB 3.12Å; N67-L70 PolarHBondContact O-N 2.9Å; T68-L70 VanDerWaalsContact C-N 3.3Å; T68-L70 PolarHBondContact O-N 3.47Å; L70-T73 WeakPolarHBondContact CA-OG1 3.38Å; L70-T73 PolarHBondContact O-OG1 2.72Å; L70-T74 VanDerWaalsContact O-CB 3.3Å; L70-T74 WeakPolarHBondContact O-CB 3.3Å; L70-T74 PolarHBondContact O-N 3.11Å; L70-T74 PolarHBondContact O-OG1 3.01Å |
| 71 | L | 47.8 | Very low | 46.6 | Very low | 124 Ų | 124 | 111.8 Ų | 111.8 | 65% | 0.649 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65 | -44 | 173.3 | -88.8 | 66 | 0 | 0 | 0 | 110.9 | T68 T74 A75 | T68-L71 PolarHBondContact O-N 2.59Å; L71-T74 PolarHBondContact O-N 3.45Å; L71-A75 WeakPolarHBondContact O-CB 3.42Å; L71-A75 PolarHBondContact O-N 2.76Å |
| 72 | Q | 47.3 | Very low | 47.2 | Very low | 128 Ų | 128 | 109.5 Ų | 109.5 | 60% | 0.598 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -69 | -40.3 | -179.2 | -165.8 | 166 | 50.5 | 0 | 0 | 112.8 | T68 T74 A75 I76 | T68-Q72 PolarHBondContact O-N 3.33Å; Q72-T74 VanDerWaalsContact C-N 3.29Å; Q72-T74 PolarHBondContact O-N 2.95Å; Q72-A75 PolarHBondContact O-N 3.19Å; Q72-I76 HydrophobicContact CG-CD1 4.27Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 3.45Å |
| 73 | T | 48.9 | Very low | 48.5 | Very low | 41 Ų | 41 | 103.6 Ų | 103.6 | 25% | 0.252 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67 | -30.7 | 173.3 | 51 | 0 | 0 | 0 | 0 | 112.6 | H69 L70 K77 | H69-T73 WeakPolarHBondContact O-CB 3.36Å; H69-T73 WeakPolarHBondContact O-CG2 3.43Å; H69-T73 PolarHBondContact O-N 3.11Å; H69-T73 PolarHBondContact O-OG1 3.48Å; L70-T73 WeakPolarHBondContact CA-OG1 3.38Å; L70-T73 PolarHBondContact O-OG1 2.72Å; T73-K77 VanDerWaalsContact O-CG 3.32Å; T73-K77 WeakPolarHBondContact O-CG 3.45Å; T73-K77 PolarHBondContact O-N 2.72Å; T73-K77 VanDerWaalsContact O-N 3.14Å |
| 74 | T | 49.3 | Very low | 49.3 | Very low | 69 Ų | 69 | 103.7 Ų | 103.7 | 42% | 0.423 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68 | -47.8 | 171.6 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | L70 L71 Q72 I76 K77 T78 | L70-T74 VanDerWaalsContact O-CB 3.3Å; L70-T74 WeakPolarHBondContact O-CB 3.3Å; L70-T74 PolarHBondContact O-N 3.11Å; L70-T74 PolarHBondContact O-OG1 3.01Å; L71-T74 PolarHBondContact O-N 3.45Å; Q72-T74 VanDerWaalsContact C-N 3.29Å; Q72-T74 PolarHBondContact O-N 2.95Å; T74-I76 VanDerWaalsContact C-N 3.3Å; T74-I76 PolarHBondContact O-N 3.49Å; T74-K77 WeakPolarHBondContact O-CB 3.2Å; T74-K77 PolarHBondContact O-N 3.18Å; T74-K77 VanDerWaalsContact O-N 3.1Å; T74-T78 PolarHBondContact O-N 3.3Å; T74-T78 PolarHBondContact O-OG1 3.26Å; T74-T78 VanDerWaalsContact O-OG1 3.11Å |
| 75 | A | 50.9 | Low | 49.8 | Very low | 47 Ų | 47 | 101.9 Ų | 101.9 | 39% | 0.388 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -57.5 | -40.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | L71 Q72 T78 N79 | L71-A75 WeakPolarHBondContact O-CB 3.42Å; L71-A75 PolarHBondContact O-N 2.76Å; Q72-A75 PolarHBondContact O-N 3.19Å; A75-T78 PolarHBondContact O-N 3.11Å; A75-N79 WeakPolarHBondContact O-CB 3.45Å; A75-N79 PolarHBondContact O-N 3.22Å; A75-N79 PolarHBondContact O-ND2 3.09Å |
| 76 | I | 52.2 | Low | 49.9 | Very low | 107 Ų | 107 | 100.1 Ų | 100.1 | 55% | 0.549 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -39.4 | 176.4 | -69.4 | 164.7 | 0 | 0 | 0 | 111.6 | Q72 T74 N79 K80 | Q72-I76 HydrophobicContact CG-CD1 4.27Å; Q72-I76 VanDerWaalsContact O-CG1 3.3Å; Q72-I76 WeakPolarHBondContact O-CG1 3.47Å; Q72-I76 PolarHBondContact O-N 3.45Å; T74-I76 VanDerWaalsContact C-N 3.3Å; T74-I76 PolarHBondContact O-N 3.49Å; I76-N79 PolarHBondContact O-N 3.49Å; I76-K80 PolarHBondContact O-N 3.11Å |
| 77 | K | 47.3 | Very low | 50.1 | Low | 146 Ų | 146 | 98.4 Ų | 98.4 | 64% | 0.635 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -46 | 174 | -72.2 | 168.8 | -177.6 | 175.6 | 0 | 111.7 | T73 T74 N79 K80 W81 | T73-K77 VanDerWaalsContact O-CG 3.32Å; T73-K77 WeakPolarHBondContact O-CG 3.45Å; T73-K77 PolarHBondContact O-N 2.72Å; T73-K77 VanDerWaalsContact O-N 3.14Å; T74-K77 WeakPolarHBondContact O-CB 3.2Å; T74-K77 PolarHBondContact O-N 3.18Å; T74-K77 VanDerWaalsContact O-N 3.1Å; K77-N79 VanDerWaalsContact C-N 3.31Å; K77-N79 PolarHBondContact O-N 2.96Å; K77-K80 PolarHBondContact O-N 3.3Å; K77-W81 PolarHBondContact O-N 3.46Å |
| 78 | T | 49.4 | Very low | 50.4 | Low | 77 Ų | 77 | 97.8 Ų | 97.8 | 47% | 0.472 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60 | -40.2 | 176 | -54.9 | 0 | 0 | 0 | 0 | 111.5 | T74 A75 W81 L82 | T74-T78 PolarHBondContact O-N 3.3Å; T74-T78 PolarHBondContact O-OG1 3.26Å; T74-T78 VanDerWaalsContact O-OG1 3.11Å; A75-T78 PolarHBondContact O-N 3.11Å; T78-W81 PolarHBondContact O-N 3.35Å; T78-L82 WeakPolarHBondContact O-CB 3.44Å; T78-L82 PolarHBondContact O-N 3.43Å |
| 79 | N | 53.6 | Low | 49.9 | Very low | 86 Ų | 86 | 94.9 Ų | 94.9 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66 | -36.8 | 175.3 | -84.4 | -79.6 | 0 | 0 | 0 | 113.2 | A75 I76 K77 M83 | A75-N79 WeakPolarHBondContact O-CB 3.45Å; A75-N79 PolarHBondContact O-N 3.22Å; A75-N79 PolarHBondContact O-ND2 3.09Å; I76-N79 PolarHBondContact O-N 3.49Å; K77-N79 VanDerWaalsContact C-N 3.31Å; K77-N79 PolarHBondContact O-N 2.96Å; N79-M83 WeakPolarHBondContact O-CG 3.47Å; N79-M83 PolarHBondContact O-N 3.4Å |
| 80 | K | 49.8 | Very low | 49.7 | Very low | 106 Ų | 106 | 95.7 Ų | 95.7 | 46% | 0.461 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 170.2 | -88.2 | -117.7 | -178.7 | -161.7 | 0 | 111.4 | I76 K77 Q84 D208 | I76-K80 PolarHBondContact O-N 3.11Å; K77-K80 PolarHBondContact O-N 3.3Å; K80-Q84 PolarHBondContact O-N 3.18Å; K80-Q84 VanDerWaalsContact O-N 3.09Å; K80-D208 IonicContact NZ-OD1 2.74Å; K80-D208 PolarHBondContact NZ-OD1 2.81Å; K80-D208 IonicContact NZ-OD2 2.69Å; K80-D208 PolarHBondContact NZ-OD2 3.34Å |
| 81 | W | 45.9 | Very low | 49.6 | Very low | 162 Ų | 162 | 95.7 Ų | 95.7 | 61% | 0.614 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -67.3 | -45 | -179.9 | -176.4 | 82.7 | 0 | 0 | 0 | 113 | K77 T78 M83 Q84 Q85 | K77-W81 PolarHBondContact O-N 3.46Å; T78-W81 PolarHBondContact O-N 3.35Å; W81-M83 PolarHBondContact O-N 2.92Å; W81-Q84 WeakPolarHBondContact O-CB 3.47Å; W81-Q84 PolarHBondContact O-N 3.09Å; W81-Q85 HydrophobicContact CD2-CG 4.21Å; W81-Q85 HydrophobicContact CE3-CG 4.34Å; W81-Q85 HydrophobicContact CH2-CG 4.39Å; W81-Q85 HydrophobicContact CZ2-CG 4.22Å; W81-Q85 VanDerWaalsContact CZ2-NE2 3.31Å; W81-Q85 HydrophobicContact CZ3-CG 4.43Å; W81-Q85 WeakPolarHBondContact O-CG 2.93Å; W81-Q85 PolarHBondContact O-N 3.08Å |
| 82 | L | 50.7 | Low | 49.2 | Very low | 89 Ų | 89 | 98.8 Ų | 98.8 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.5 | -40.9 | 179.1 | -176.7 | 62.2 | 0 | 0 | 0 | 112 | T78 Q85 M86 | T78-L82 WeakPolarHBondContact O-CB 3.44Å; T78-L82 PolarHBondContact O-N 3.43Å; L82-Q85 WeakPolarHBondContact O-CB 3.36Å; L82-Q85 PolarHBondContact O-N 3.32Å; L82-M86 HydrophobicContact CG-CE 4.48Å; L82-M86 PolarHBondContact O-N 3.13Å; L82-M86 VanDerWaalsContact O-N 3.1Å |
| 83 | M | 60.3 | Low | 48.8 | Very low | 56 Ų | 56 | 102.7 Ų | 102.7 | 28% | 0.276 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.9 | -34.2 | 174.8 | -72.1 | 178.3 | 63.5 | 0 | 0 | 112.9 | N79 W81 Q85 M86 V87 V243 R247 | N79-M83 WeakPolarHBondContact O-CG 3.47Å; N79-M83 PolarHBondContact O-N 3.4Å; W81-M83 PolarHBondContact O-N 2.92Å; M83-Q85 VanDerWaalsContact C-N 3.31Å; M83-Q85 PolarHBondContact O-N 3.31Å; M83-M86 HydrophobicContact CB-CE 4.39Å; M83-M86 HydrophobicContact CG-CE 3.81Å; M83-M86 PolarHBondContact O-N 3.11Å; M83-V87 WeakPolarHBondContact O-CG2 3.37Å; M83-V87 PolarHBondContact O-N 2.9Å; M83-V87 VanDerWaalsContact O-N 3.11Å; M83-V243 HydrophobicContact CE-CG1 4.11Å; M83-R247 PolarHBondContact SD-NH2 2.89Å |
| 84 | Q | 60.6 | Low | 48.3 | Very low | 84 Ų | 84 | 105.4 Ų | 105.4 | 39% | 0.393 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -63.8 | -38.2 | 172.3 | -168.4 | 67.3 | 73.3 | 0 | 0 | 111.5 | K80 W81 N88 | K80-Q84 PolarHBondContact O-N 3.18Å; K80-Q84 VanDerWaalsContact O-N 3.09Å; W81-Q84 WeakPolarHBondContact O-CB 3.47Å; W81-Q84 PolarHBondContact O-N 3.09Å; Q84-N88 PolarHBondContact NE2-OD1 3.32Å; Q84-N88 VanDerWaalsContact O-CB 3.31Å; Q84-N88 WeakPolarHBondContact O-CB 3.44Å; Q84-N88 PolarHBondContact O-N 3.28Å; Q84-N88 PolarHBondContact O-OD1 3.23Å |
| 85 | Q | 49 | Very low | 47.8 | Very low | 81 Ų | 81 | 108 Ų | 108 | 38% | 0.379 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -39.5 | 174.9 | -74.5 | -110.2 | 71.5 | 0 | 0 | 112.9 | W81 L82 M83 N88 S89 | W81-Q85 HydrophobicContact CD2-CG 4.21Å; W81-Q85 HydrophobicContact CE3-CG 4.34Å; W81-Q85 HydrophobicContact CH2-CG 4.39Å; W81-Q85 HydrophobicContact CZ2-CG 4.22Å; W81-Q85 VanDerWaalsContact CZ2-NE2 3.31Å; W81-Q85 HydrophobicContact CZ3-CG 4.43Å; W81-Q85 WeakPolarHBondContact O-CG 2.93Å; W81-Q85 PolarHBondContact O-N 3.08Å; L82-Q85 WeakPolarHBondContact O-CB 3.36Å; L82-Q85 PolarHBondContact O-N 3.32Å; M83-Q85 VanDerWaalsContact C-N 3.31Å; M83-Q85 PolarHBondContact O-N 3.31Å; Q85-N88 PolarHBondContact O-N 3.02Å; Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 2.71Å; Q85-S89 VanDerWaalsContact O-N 3.11Å; Q85-S89 PolarHBondContact O-OG 2.92Å |
| 86 | M | 48.3 | Very low | 46.8 | Very low | 116 Ų | 116 | 111.2 Ų | 111.2 | 57% | 0.571 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -64.8 | -48.9 | 175.8 | -70.7 | -173.8 | -71 | 0 | 0 | 111.6 | L82 M83 N88 S89 | L82-M86 HydrophobicContact CG-CE 4.48Å; L82-M86 PolarHBondContact O-N 3.13Å; L82-M86 VanDerWaalsContact O-N 3.1Å; M83-M86 HydrophobicContact CB-CE 4.39Å; M83-M86 HydrophobicContact CG-CE 3.81Å; M83-M86 PolarHBondContact O-N 3.11Å; M86-N88 VanDerWaalsContact C-N 3.27Å; M86-N88 PolarHBondContact O-N 3.4Å; M86-S89 PolarHBondContact O-N 3.1Å; M86-S89 VanDerWaalsContact O-N 3.11Å |
| 87 | V | 54.9 | Low | 45.9 | Very low | 100 Ų | 100 | 114.6 Ų | 114.6 | 61% | 0.606 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -59.5 | -37 | 176.6 | 173.7 | 0 | 0 | 0 | 0 | 112 | M83 S89 | M83-V87 WeakPolarHBondContact O-CG2 3.37Å; M83-V87 PolarHBondContact O-N 2.9Å; M83-V87 VanDerWaalsContact O-N 3.11Å; V87-S89 VanDerWaalsContact C-N 3.34Å |
| 88 | N | 46.5 | Very low | 45.6 | Very low | 88 Ų | 88 | 115.5 Ų | 115.5 | 47% | 0.471 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -79.9 | -10.9 | 179.8 | -66.5 | 5.1 | 0 | 0 | 0 | 114.1 | Q84 Q85 M86 | Q84-N88 PolarHBondContact NE2-OD1 3.32Å; Q84-N88 VanDerWaalsContact O-CB 3.31Å; Q84-N88 WeakPolarHBondContact O-CB 3.44Å; Q84-N88 PolarHBondContact O-N 3.28Å; Q84-N88 PolarHBondContact O-OD1 3.23Å; Q85-N88 PolarHBondContact O-N 3.02Å; M86-N88 VanDerWaalsContact C-N 3.27Å; M86-N88 PolarHBondContact O-N 3.4Å |
| 89 | S | 41.5 | Very low | 45.6 | Very low | 54 Ų | 54 | 117.1 Ų | 117.1 | 38% | 0.378 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -89 | -29.7 | -175.6 | -68 | 0 | 0 | 0 | 0 | 113.5 | Q85 M86 V87 S91 R92 | Q85-S89 WeakPolarHBondContact O-CB 3.4Å; Q85-S89 PolarHBondContact O-N 2.71Å; Q85-S89 VanDerWaalsContact O-N 3.11Å; Q85-S89 PolarHBondContact O-OG 2.92Å; M86-S89 PolarHBondContact O-N 3.1Å; M86-S89 VanDerWaalsContact O-N 3.11Å; V87-S89 VanDerWaalsContact C-N 3.34Å; S89-S91 VanDerWaalsContact C-N 3.27Å; S89-S91 PolarHBondContact O-N 2.85Å; S89-R92 PolarHBondContact O-N 3.4Å |
| 90 | D | 42.4 | Very low | 44.8 | Very low | 145 Ų | 145 | 121.1 Ų | 121.1 | 78% | 0.775 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -60.6 | -35.8 | -180 | -156.7 | -113.4 | 0 | 0 | 0 | 112.3 | R92 | D90-R92 PolarHBondContact O-N 3.45Š|
| 91 | S | 44.3 | Very low | 44.2 | Very low | 104 Ų | 104 | 125.3 Ų | 125.3 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | G | 310 helix | trans | -72.8 | 7.9 | -178.9 | -46.9 | 0 | 0 | 0 | 0 | 115.8 | S89 | S89-S91 VanDerWaalsContact C-N 3.27Å; S89-S91 PolarHBondContact O-N 2.85Å |
| 92 | R | 40.8 | Very low | 43.6 | Very low | 189 Ų | 189 | 122.7 Ų | 122.7 | 71% | 0.713 | 67% | 0.67 | S | S | * | * | G | 310 helix | trans | -105.8 | 3.5 | -173.5 | -72.8 | -163.8 | -72 | -175.2 | -5.3 | 116.4 | S89 D90 | S89-R92 PolarHBondContact O-N 3.4Å; D90-R92 PolarHBondContact O-N 3.45Å |
| 93 | F | 37.1 | Very low | 42.8 | Very low | 210 Ų | 210 | 123.5 Ų | 123.5 | 92% | 0.921 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -111.6 | 7.1 | -177.1 | -127.9 | -90.4 | 0 | 0 | 0 | 116.1 | ||
| 94 | A | 39.4 | Very low | 41.7 | Very low | 97 Ų | 97 | 129.6 Ų | 129.6 | 80% | 0.802 | 72% | 0.722 | S | S | * | * | S | Bend | trans | -128.6 | 29.9 | -168.4 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 95 | S | 38.1 | Very low | 40.3 | Very low | 123 Ų | 123 | 129.3 Ų | 129.3 | 86% | 0.86 | 74% | 0.742 | S | S | * | * | trans | -161.1 | 108.5 | 162.7 | -170.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 96 | S | 30.2 | Very low | 40.5 | Very low | 116 Ų | 116 | 131.6 Ų | 131.6 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | trans | -166.3 | 118.7 | 147.4 | -167.1 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 97 | Q | 33.3 | Very low | 39.6 | Very low | 178 Ų | 178 | 137.9 Ų | 137.9 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | trans | -129.8 | 115.6 | 164.4 | -88.4 | -163.9 | 11.7 | 0 | 0 | 110.1 | ||||
| 98 | Q | 41.1 | Very low | 38.7 | Very low | 165 Ų | 165 | 138.5 Ų | 138.5 | 77% | 0.771 | 79% | 0.79 | S | S | * | * | trans | 65.6 | 172.7 | 149 | -55.8 | -57.9 | -17.1 | 0 | 0 | 116.7 | ||||
| 99 | P | 48.9 | Very low | 38.3 | Very low | 110 Ų | 110 | 143.7 Ų | 143.7 | 71% | 0.714 | 81% | 0.811 | S | S | * | * | cis | -125 | 156.8 | -5.7 | 38.9 | -24.7 | 0 | 0 | 0 | 115.6 | ||||
| 100 | I | 37.8 | Very low | 38 | Very low | 170 Ų | 170 | 147.2 Ų | 147.2 | 87% | 0.872 | 84% | 0.836 | S | S | * | * | trans | -125.9 | 159.1 | 158 | -61.6 | -176.9 | 0 | 0 | 0 | 108.8 | ||||
| 101 | K | 36.3 | Very low | 37.6 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 84% | 0.843 | 84% | 0.838 | S | S | * | * | trans | -141.2 | 140.4 | -145 | 43.3 | -178.5 | 168.6 | 179.6 | 0 | 114.4 | ||||
| 102 | A | 33.3 | Very low | 37.2 | Very low | 108 Ų | 108 | 147.6 Ų | 147.6 | 89% | 0.893 | 85% | 0.848 | S | S | * | * | trans | 69.5 | 120.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 103 | A | 33.5 | Very low | 37 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 88% | 0.876 | 85% | 0.846 | S | S | * | * | trans | -152.4 | 132.3 | 147.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 104 | L | 37.3 | Very low | 37.2 | Very low | 184 Ų | 184 | 142 Ų | 142 | 96% | 0.963 | 84% | 0.843 | S | S | * | * | trans | -45.8 | 150.8 | -176.3 | -55.6 | 161.7 | 0 | 0 | 0 | 118.4 | ||||
| 105 | G | 31.8 | Very low | 37.1 | Very low | 77 Ų | 77 | 145.9 Ų | 145.9 | 79% | 0.794 | 85% | 0.845 | S | S | * | * | trans | 151.9 | 120.4 | 153.8 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 106 | P | 52.5 | Low | 37 | Very low | 129 Ų | 129 | 147 Ų | 147 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -109.1 | 143 | -175.5 | 37.7 | -31.4 | 0 | 0 | 0 | 116 | ||||
| 107 | R | 30.7 | Very low | 37.3 | Very low | 248 Ų | 248 | 149.4 Ų | 149.4 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -157.7 | 142.4 | 147.7 | -161.7 | 116.5 | 79.1 | 166.4 | 5.6 | 111.6 | ||||
| 108 | S | 36.3 | Very low | 37.5 | Very low | 113 Ų | 113 | 148.3 Ų | 148.3 | 79% | 0.79 | 84% | 0.839 | S | S | * | * | trans | -90.7 | 144 | 178.8 | -35.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 109 | Q | 37.8 | Very low | 37.3 | Very low | 197 Ų | 197 | 146 Ų | 146 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | -165.5 | 160.6 | 131.1 | -115.3 | -179.5 | 2.8 | 0 | 0 | 112.6 | ||||
| 110 | S | 35.8 | Very low | 36.9 | Very low | 128 Ų | 128 | 147.6 Ų | 147.6 | 90% | 0.895 | 85% | 0.849 | S | S | * | * | trans | -86.8 | 146.9 | -177.4 | -47.2 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 111 | G | 32.3 | Very low | 37.3 | Very low | 80 Ų | 80 | 147.3 Ų | 147.3 | 83% | 0.825 | 85% | 0.847 | S | S | * | * | trans | -161.3 | 129.1 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 112 | L | 37.7 | Very low | 37.1 | Very low | 178 Ų | 178 | 144.4 Ų | 144.4 | 93% | 0.932 | 84% | 0.841 | S | S | * | * | trans | -82.9 | 147.4 | 176.4 | -61.1 | 160.8 | 0 | 0 | 0 | 110.4 | ||||
| 113 | S | 36.6 | Very low | 37.5 | Very low | 98 Ų | 98 | 147.9 Ų | 147.9 | 69% | 0.685 | 84% | 0.839 | S | S | * | * | 172 | 133.9 | 126 | -167.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 114 | Q | 41.2 | Very low | 38 | Very low | 182 Ų | 182 | 147.5 Ų | 147.5 | 85% | 0.85 | 83% | 0.829 | S | S | * | * | trans | 50 | 118.2 | 154.1 | -68.7 | 179 | 117.4 | 0 | 0 | 122.1 | ||||
| 115 | Q | 36.8 | Very low | 38 | Very low | 180 Ų | 180 | 147.4 Ų | 147.4 | 84% | 0.841 | 82% | 0.824 | S | S | * | * | trans | -67 | 155.4 | 151.4 | -57.7 | 158.3 | -81 | 0 | 0 | 110.4 | ||||
| 116 | N | 36.2 | Very low | 38.4 | Very low | 145 Ų | 145 | 152.3 Ų | 152.3 | 78% | 0.775 | 83% | 0.831 | S | S | * | * | trans | -144.1 | 86.6 | 158.1 | -163.2 | 33.6 | 0 | 0 | 0 | 110.7 | ||||
| 117 | Q | 37.2 | Very low | 37.6 | Very low | 167 Ų | 167 | 149.5 Ų | 149.5 | 78% | 0.78 | 83% | 0.826 | S | S | * | * | trans | -104.1 | 118.2 | 177.4 | -67.7 | -75.7 | 101.5 | 0 | 0 | 108.6 | ||||
| 118 | L | 37.4 | Very low | 38 | Very low | 156 Ų | 156 | 146.1 Ų | 146.1 | 82% | 0.817 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 140.3 | 176.1 | -96.4 | 71.3 | 0 | 0 | 0 | 111.6 | ||
| 119 | S | 36.3 | Very low | 37.9 | Very low | 117 Ų | 117 | 148.7 Ų | 148.7 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -81.5 | 138.8 | -170.9 | -53.8 | 0 | 0 | 0 | 0 | 114.1 | I121 | S119-I121 PolarHBondContact O-N 3.24Š|
| 120 | T | 39.8 | Very low | 37.6 | Very low | 143 Ų | 143 | 143.2 Ų | 143.2 | 88% | 0.877 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 126.7 | 163.4 | -53.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 121 | I | 45.8 | Very low | 37.6 | Very low | 164 Ų | 164 | 144.8 Ų | 144.8 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 135.4 | 174.6 | -157.8 | 69 | 0 | 0 | 0 | 110.6 | S119 | S119-I121 PolarHBondContact O-N 3.24Š|
| 122 | N | 33.4 | Very low | 38.7 | Very low | 132 Ų | 132 | 145.6 Ų | 145.6 | 71% | 0.706 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 152.6 | -175.6 | 178.9 | -94.8 | 0 | 0 | 0 | 112.7 | S124 | N122-S124 PolarHBondContact OD1-OG 3.33Å; N122-S124 VanDerWaalsContact OD1-OG 3.11Å |
| 123 | Q | 40.9 | Very low | 38.6 | Very low | 182 Ų | 182 | 143.9 Ų | 143.9 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -110.1 | 119.3 | 174.6 | -173 | -171.7 | 120.8 | 0 | 0 | 109.9 | ||||
| 124 | S | 43.7 | Very low | 39.3 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -149.7 | 118.2 | 168.4 | -66 | 0 | 0 | 0 | 0 | 106.4 | N122 | N122-S124 PolarHBondContact OD1-OG 3.33Å; N122-S124 VanDerWaalsContact OD1-OG 3.11Å | ||
| 125 | Q | 38.4 | Very low | 39.2 | Very low | 183 Ų | 183 | 144.4 Ų | 144.4 | 86% | 0.855 | 81% | 0.81 | S | S | * | * | cis | 78.6 | 117.2 | 47.3 | -168.8 | 175.2 | 8.6 | 0 | 0 | 113.9 | ||||
| 126 | L | 40.5 | Very low | 39 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 94% | 0.937 | 80% | 0.803 | S | S | * | * | trans | 157.5 | 139.1 | 155.6 | -89.2 | 169.5 | 0 | 0 | 0 | 106.6 | ||||
| 127 | G | 35 | Very low | 39 | Very low | 71 Ų | 71 | 140 Ų | 140 | 73% | 0.732 | 80% | 0.801 | S | S | * | * | cis | -165.7 | 159 | -8.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 128 | M | 39.2 | Very low | 39.6 | Very low | 176 Ų | 176 | 137.7 Ų | 137.7 | 87% | 0.867 | 80% | 0.8 | S | S | * | * | trans | -91.4 | 143.4 | -176.2 | -65 | -72.3 | -173.1 | 0 | 0 | 112.7 | ||||
| 129 | N | 33.6 | Very low | 39.8 | Very low | 168 Ų | 168 | 135.8 Ų | 135.8 | 90% | 0.898 | 80% | 0.8 | S | S | * | * | trans | 153.2 | 137.2 | 130.2 | -78.3 | -13.1 | 0 | 0 | 0 | 112.9 | ||||
| 130 | G | 32.2 | Very low | 40.7 | Very low | 82 Ų | 82 | 135.7 Ų | 135.7 | 85% | 0.845 | 80% | 0.797 | S | S | * | * | trans | 155.7 | 107.1 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 131 | N | 35.8 | Very low | 41.2 | Very low | 160 Ų | 160 | 134.8 Ų | 134.8 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -167.2 | 155.3 | -178.8 | -167.1 | 61 | 0 | 0 | 0 | 109.3 | ||||
| 132 | P | 54.6 | Low | 40.5 | Very low | 98 Ų | 98 | 130.5 Ų | 130.5 | 64% | 0.636 | 79% | 0.79 | S | S | * | * | cis | -120.8 | 168.2 | -44.6 | 36.6 | -23.4 | 0 | 0 | 0 | 112.5 | ||||
| 133 | V | 37 | Very low | 40.9 | Very low | 141 Ų | 141 | 129.6 Ų | 129.6 | 86% | 0.855 | 79% | 0.793 | S | S | * | * | trans | -143.1 | 133 | 161.6 | -172.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 134 | P | 49.9 | Very low | 41 | Very low | 106 Ų | 106 | 130.6 Ų | 130.6 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | trans | -101.4 | 160.6 | 178.7 | 38.9 | -34.5 | 0 | 0 | 0 | 113.6 | ||||
| 135 | H | 40 | Very low | 40.8 | Very low | 185 Ų | 185 | 131.8 Ų | 131.8 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 166.9 | 155 | 150.7 | -83.4 | -56.5 | 0 | 0 | 0 | 107.5 | ||||
| 136 | N | 33 | Very low | 40.8 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 68% | 0.684 | 80% | 0.796 | S | S | * | * | cis | 173.5 | 107.6 | -32.9 | 168 | 23.7 | 0 | 0 | 0 | 106 | ||||
| 137 | S | 35.7 | Very low | 41.1 | Very low | 106 Ų | 106 | 126 Ų | 126 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | trans | 65.1 | 170 | 165.4 | -58.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 138 | P | 49.2 | Very low | 41.7 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -123.9 | 171.3 | -6.4 | 40.1 | -26 | 0 | 0 | 0 | 115.4 | ||||
| 139 | S | 42.3 | Very low | 41.8 | Very low | 117 Ų | 117 | 125.3 Ų | 125.3 | 82% | 0.818 | 79% | 0.787 | S | S | * | * | trans | -105.3 | 148.4 | 155.7 | -50.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 140 | P | 54.9 | Low | 42.6 | Very low | 115 Ų | 115 | 123 Ų | 123 | 75% | 0.747 | 78% | 0.781 | S | S | * | * | -156.4 | -161.7 | 108.4 | 41.9 | -23.7 | 0 | 0 | 0 | 112.5 | |||||
| 141 | P | 49.9 | Very low | 43.3 | Very low | 123 Ų | 123 | 124.6 Ų | 124.6 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | cis | -115.4 | 169.6 | -38.5 | 17.6 | 4.2 | 0 | 0 | 0 | 111.8 | ||||
| 142 | G | 32.4 | Very low | 43.4 | Very low | 75 Ų | 75 | 122.8 Ų | 122.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -85.4 | 168.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 143 | S | 41.4 | Very low | 42.5 | Very low | 112 Ų | 112 | 123.7 Ų | 123.7 | 78% | 0.783 | 79% | 0.785 | S | S | * | * | trans | -131.4 | 96.7 | 166 | -80.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 144 | K | 42 | Very low | 42.7 | Very low | 203 Ų | 203 | 120.7 Ų | 120.7 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | 3.2 | 113.7 | 141.4 | 42.9 | 168.8 | 178.7 | -179.8 | 0 | 116.7 | ||||
| 145 | S | 40 | Very low | 42 | Very low | 122 Ų | 122 | 124.5 Ų | 124.5 | 85% | 0.853 | 78% | 0.783 | S | S | * | * | trans | -141.4 | 151 | 146.4 | -162.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 146 | T | 39.3 | Very low | 42.1 | Very low | 114 Ų | 114 | 123.9 Ų | 123.9 | 70% | 0.699 | 78% | 0.78 | S | S | * | * | trans | -101.3 | 129.4 | -154.6 | 45.6 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 147 | T | 45.1 | Very low | 42.5 | Very low | 127 Ų | 127 | 124.4 Ų | 124.4 | 78% | 0.779 | 78% | 0.783 | S | S | * | * | trans | 60 | 160.6 | 139.5 | 60.1 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 148 | P | 47.9 | Very low | 42.6 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 75% | 0.753 | 79% | 0.785 | S | S | * | * | cis | -133.5 | 164.3 | -40.1 | 37.5 | -22.7 | 0 | 0 | 0 | 113.1 | ||||
| 149 | S | 41.6 | Very low | 42.2 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | trans | -83.9 | 152 | 160.5 | -44.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 150 | P | 50.6 | Low | 41.9 | Very low | 120 Ų | 120 | 128.2 Ų | 128.2 | 78% | 0.779 | 78% | 0.78 | S | S | * | * | -148.8 | -152.6 | 84.7 | 36.3 | -12.8 | 0 | 0 | 0 | 112.6 | |||||
| 151 | P | 46.4 | Very low | 41.1 | Very low | 116 Ų | 116 | 129.4 Ų | 129.4 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | -125.6 | 169.4 | -79.2 | 39.8 | -25.4 | 0 | 0 | 0 | 115.3 | |||||
| 152 | S | 39.1 | Very low | 40.6 | Very low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 77% | 0.767 | S | S | * | * | trans | 8.8 | 129.3 | 154.7 | -163.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 153 | S | 35.9 | Very low | 41.2 | Very low | 118 Ų | 118 | 129.6 Ų | 129.6 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | trans | -154.6 | 159 | 138.5 | -159.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 154 | A | 39.5 | Very low | 41.1 | Very low | 77 Ų | 77 | 134 Ų | 134 | 64% | 0.636 | 77% | 0.773 | S | S | * | * | trans | -26.2 | 134.3 | -175.9 | 0 | 0 | 0 | 0 | 0 | 120.3 | E156 | A154-E156 HydrophobicContact CB-CG 4.38Š| ||
| 155 | H | 36.8 | Very low | 41 | Very low | 186 Ų | 186 | 132 Ų | 132 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -127.6 | 126.9 | 133.6 | 179.4 | 51.2 | 0 | 0 | 0 | 108 | ||||
| 156 | E | 40.8 | Very low | 40.9 | Very low | 172 Ų | 172 | 133.9 Ų | 133.9 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | trans | -115.7 | 119 | -176.4 | -59.6 | 178.1 | 130.5 | 0 | 0 | 109.9 | A154 | A154-E156 HydrophobicContact CB-CG 4.38Š| ||
| 157 | D | 41.8 | Very low | 40.8 | Very low | 139 Ų | 139 | 136 Ų | 136 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | -154.9 | 129.1 | 139 | -165.8 | -126.6 | 0 | 0 | 0 | 108 | ||||
| 158 | D | 37.4 | Very low | 40.6 | Very low | 146 Ų | 146 | 133.1 Ų | 133.1 | 78% | 0.781 | 77% | 0.774 | S | S | * | * | trans | -102 | 120.6 | -177.3 | -175.1 | -89.6 | 0 | 0 | 0 | 110.2 | ||||
| 159 | N | 41.5 | Very low | 40.1 | Very low | 136 Ų | 136 | 134.6 Ų | 134.6 | 73% | 0.727 | 77% | 0.771 | S | S | * | * | trans | -146.1 | 81.6 | 177.3 | -120 | -53.8 | 0 | 0 | 0 | 110.6 | D161 | N159-D161 VanDerWaalsContact C-N 3.33Å; N159-D161 PolarHBondContact O-N 3.14Å | ||
| 160 | D | 36.5 | Very low | 40.1 | Very low | 138 Ų | 138 | 137.5 Ų | 137.5 | 74% | 0.738 | 77% | 0.769 | S | S | * | * | trans | -68.6 | 81.9 | 174 | 178.7 | -132 | 0 | 0 | 0 | 112.3 | G162 | D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.1Å; D160-G162 VanDerWaalsContact O-N 3.14Å; D160-G162 VanDerWaalsContact OD2-CA 3.31Å; D160-G162 WeakPolarHBondContact OD2-CA 3.44Å; D160-G162 PolarHBondContact OD2-N 3.06Å | ||
| 161 | D | 38.3 | Very low | 39.7 | Very low | 140 Ų | 140 | 143 Ų | 143 | 75% | 0.749 | 77% | 0.774 | S | S | * | * | trans | -77.2 | 84.1 | 153.8 | -113.6 | -45.4 | 0 | 0 | 0 | 108.1 | N159 L163 | N159-D161 VanDerWaalsContact C-N 3.33Å; N159-D161 PolarHBondContact O-N 3.14Å; D161-L163 VanDerWaalsContact C-N 3.31Å; D161-L163 WeakPolarHBondContact O-CG 3.38Å; D161-L163 PolarHBondContact O-N 3.18Å | ||
| 162 | G | 39.3 | Very low | 39.6 | Very low | 52 Ų | 52 | 143 Ų | 143 | 54% | 0.536 | 77% | 0.774 | S | S | . | * | trans | -64.8 | 72.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | D160 K164 | D160-G162 VanDerWaalsContact C-N 3.26Å; D160-G162 PolarHBondContact O-N 3.1Å; D160-G162 VanDerWaalsContact O-N 3.14Å; D160-G162 VanDerWaalsContact OD2-CA 3.31Å; D160-G162 WeakPolarHBondContact OD2-CA 3.44Å; D160-G162 PolarHBondContact OD2-N 3.06Å; G162-K164 VanDerWaalsContact C-N 3.32Å; G162-K164 PolarHBondContact O-N 2.99Å | ||
| 163 | L | 43.9 | Very low | 39.5 | Very low | 150 Ų | 150 | 141.3 Ų | 141.3 | 79% | 0.785 | 77% | 0.767 | S | S | * | * | trans | -69.4 | 79.4 | 176.2 | -61.2 | -174.1 | 0 | 0 | 0 | 111.7 | D161 L165 | D161-L163 VanDerWaalsContact C-N 3.31Å; D161-L163 WeakPolarHBondContact O-CG 3.38Å; D161-L163 PolarHBondContact O-N 3.18Å; L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 3.23Å | ||
| 164 | K | 39.2 | Very low | 39.7 | Very low | 205 Ų | 205 | 140.4 Ų | 140.4 | 89% | 0.891 | 77% | 0.767 | S | S | * | * | trans | -69.3 | 78.4 | 179.4 | -159.3 | 70.8 | 166.6 | -174.1 | 0 | 112.1 | G162 | G162-K164 VanDerWaalsContact C-N 3.32Å; G162-K164 PolarHBondContact O-N 2.99Å | ||
| 165 | L | 40.2 | Very low | 39.9 | Very low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -60.7 | 150.2 | -179.9 | -77.9 | 173.9 | 0 | 0 | 0 | 113 | L163 N167 | L163-L165 VanDerWaalsContact C-N 3.28Å; L163-L165 PolarHBondContact O-N 3.23Å; L165-N167 PolarHBondContact O-N 2.69Å | ||
| 166 | N | 38.9 | Very low | 40.5 | Very low | 160 Ų | 160 | 141 Ų | 141 | 86% | 0.856 | 77% | 0.771 | S | S | * | * | trans | -92.6 | 100.1 | -166.2 | 179.4 | 67.9 | 0 | 0 | 0 | 111.5 | ||||
| 167 | N | 36.3 | Very low | 40.7 | Very low | 160 Ų | 160 | 140 Ų | 140 | 86% | 0.856 | 77% | 0.769 | S | S | * | * | trans | -99.7 | 115.6 | 175.8 | -161.4 | 84 | 0 | 0 | 0 | 110.9 | L165 | L165-N167 PolarHBondContact O-N 2.69Š| ||
| 168 | G | 40.2 | Very low | 40.8 | Very low | 65 Ų | 65 | 137.9 Ų | 137.9 | 67% | 0.67 | 77% | 0.765 | S | S | * | * | trans | -146.5 | 111.1 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 169 | E | 38.4 | Very low | 41.4 | Very low | 147 Ų | 147 | 141.3 Ų | 141.3 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -132.4 | 120.3 | 167.3 | -69.5 | -150.8 | 74.4 | 0 | 0 | 112.5 | ||||
| 170 | K | 40.7 | Very low | 41.6 | Very low | 178 Ų | 178 | 143.9 Ų | 143.9 | 77% | 0.774 | 78% | 0.778 | S | S | * | * | trans | 60 | 73.4 | 137.7 | -59.6 | 163.1 | -175 | 159.7 | 0 | 119.9 | ||||
| 171 | R | 42.1 | Very low | 42.1 | Very low | 234 Ų | 234 | 142.8 Ų | 142.8 | 88% | 0.883 | 78% | 0.778 | S | S | * | * | 16 | 132.9 | 120.2 | -173.8 | 173.2 | -175.6 | -147.7 | -4.6 | 116.9 | |||||
| 172 | P | 45 | Very low | 42.5 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | -155.3 | 152.1 | 73.8 | 41.5 | -20.5 | 0 | 0 | 0 | 123.4 | |||||
| 173 | A | 35.8 | Very low | 42.9 | Very low | 85 Ų | 85 | 149.3 Ų | 149.3 | 70% | 0.702 | 80% | 0.796 | S | S | * | * | trans | 78.7 | 135 | 142.1 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 174 | A | 42 | Very low | 43.3 | Very low | 100 Ų | 100 | 148 Ų | 148 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | 60.9 | 156.2 | 172.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 175 | V | 43.6 | Very low | 43.8 | Very low | 137 Ų | 137 | 147.7 Ų | 147.7 | 83% | 0.83 | 80% | 0.795 | S | S | * | * | cis | -127.3 | 162.4 | 8 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 176 | D | 48 | Very low | 44.5 | Very low | 139 Ų | 139 | 149.7 Ų | 149.7 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | -62.9 | 144.4 | 167.9 | -179 | -95.5 | 0 | 0 | 0 | 112.4 | ||||
| 177 | I | 46.1 | Very low | 45.4 | Very low | 149 Ų | 149 | 151.6 Ų | 151.6 | 76% | 0.764 | 80% | 0.797 | S | S | * | * | trans | -169.3 | 124.5 | 143.4 | -105.2 | 156.1 | 0 | 0 | 0 | 113.2 | ||||
| 178 | S | 43.9 | Very low | 46.2 | Very low | 95 Ų | 95 | 153.8 Ų | 153.8 | 66% | 0.664 | 80% | 0.799 | S | S | * | * | trans | 48.6 | 95.8 | 149.5 | -60.1 | 0 | 0 | 0 | 0 | 120.8 | K180 | S178-K180 PolarHBondContact O-N 2.74Š| ||
| 179 | K | 49.9 | Very low | 46.8 | Very low | 219 Ų | 219 | 161.7 Ų | 161.7 | 95% | 0.952 | 81% | 0.809 | S | S | * | * | trans | -67 | 94 | 157.7 | -69.7 | 173.4 | -179 | 168.6 | 0 | 111.5 | ||||
| 180 | K | 45.8 | Very low | 47.8 | Very low | 189 Ų | 189 | 162 Ų | 162 | 82% | 0.822 | 81% | 0.808 | S | S | * | * | trans | -92.8 | 120.9 | 173.3 | -135.5 | 166.6 | -169.8 | 169.2 | 0 | 110.9 | S178 K182 | S178-K180 PolarHBondContact O-N 2.74Å; K180-K182 PolarHBondContact O-N 3.22Å | ||
| 181 | P | 46.3 | Very low | 48.5 | Very low | 115 Ų | 115 | 158.7 Ų | 158.7 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | trans | -68.9 | 122.8 | -176 | 26.7 | -33.6 | 0 | 0 | 0 | 111.2 | T183 | P181-T183 PolarHBondContact O-N 3.23Å; P181-T183 VanDerWaalsContact O-N 3.08Å | ||
| 182 | K | 46.6 | Very low | 49.9 | Very low | 208 Ų | 208 | 153.5 Ų | 153.5 | 90% | 0.904 | 80% | 0.795 | S | S | * | * | trans | -70.3 | 103.5 | 174.7 | -71 | -176.7 | -176.4 | 179 | 0 | 109.2 | K180 | K180-K182 PolarHBondContact O-N 3.22Š| ||
| 183 | T | 47.1 | Very low | 50.9 | Low | 122 Ų | 122 | 154.1 Ų | 154.1 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | trans | -59.9 | 133 | 174.4 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | P181 K185 | P181-T183 PolarHBondContact O-N 3.23Å; P181-T183 VanDerWaalsContact O-N 3.08Å; T183-K185 PolarHBondContact O-N 3.09Å | ||
| 184 | P | 52.4 | Low | 52.7 | Low | 121 Ų | 121 | 153.1 Ų | 153.1 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -69 | 106 | -180 | 26.9 | -32.9 | 0 | 0 | 0 | 109 | K186 | P184-K186 PolarHBondContact O-N 2.85Š| ||
| 185 | K | 50.8 | Low | 54.3 | Low | 199 Ų | 199 | 149 Ų | 149 | 87% | 0.865 | 74% | 0.738 | S | S | * | * | trans | -53.8 | 107.5 | 171.9 | -77.7 | -174.3 | 174.5 | -178 | 0 | 108.3 | T183 K187 | T183-K185 PolarHBondContact O-N 3.09Å; K185-K187 PolarHBondContact O-N 3.21Å | ||
| 186 | K | 53.5 | Low | 56.2 | Low | 204 Ų | 204 | 148.6 Ų | 148.6 | 89% | 0.887 | 74% | 0.735 | S | S | * | * | trans | -55.3 | 103.8 | 170.6 | -71.6 | -179.1 | 178.3 | 178 | 0 | 107.1 | P184 K188 | P184-K186 PolarHBondContact O-N 2.85Å; K186-K188 PolarHBondContact O-N 3.28Å; K186-K188 VanDerWaalsContact O-N 3.1Å | ||
| 187 | K | 57.9 | Low | 58 | Low | 201 Ų | 201 | 149.2 Ų | 149.2 | 87% | 0.874 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -55.8 | 120.4 | 171.2 | -72.6 | -175.8 | 176.2 | -178.5 | 0 | 106.3 | K185 R189 | K185-K187 PolarHBondContact O-N 3.21Å; K187-R189 PolarHBondContact O-N 3.33Å |
| 188 | K | 54.1 | Low | 60 | Low | 205 Ų | 205 | 144.2 Ų | 144.2 | 89% | 0.891 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -46.9 | 129.3 | 164.5 | -100.5 | -169.6 | 171.6 | -171 | 0 | 106 | K186 K190 | K186-K188 PolarHBondContact O-N 3.28Å; K186-K188 VanDerWaalsContact O-N 3.1Å; K188-K190 PolarHBondContact O-N 3Å; K188-K190 VanDerWaalsContact O-N 3.14Å |
| 189 | R | 52.8 | Low | 62.1 | Low | 232 Ų | 232 | 141.9 Ų | 141.9 | 88% | 0.875 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 124.9 | 169.7 | -72.9 | -76 | 179.2 | 156.1 | -0.6 | 105.5 | K187 | K187-R189 PolarHBondContact O-N 3.33Š|
| 190 | K | 60.1 | Low | 64.2 | Low | 153 Ų | 153 | 134.9 Ų | 134.9 | 67% | 0.665 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -58 | 138.8 | 166.4 | -151.7 | 76 | -179.9 | 174.4 | 0 | 106.5 | K188 E194 | K188-K190 PolarHBondContact O-N 3Å; K188-K190 VanDerWaalsContact O-N 3.14Å; K190-E194 WeakPolarHBondContact CE-OE2 3.48Å; K190-E194 WeakPolarHBondContact CG-OE2 3.3Å; K190-E194 IonicContact NZ-OE2 3.4Å |
| 191 | D | 54.2 | Low | 66.5 | Low | 109 Ų | 109 | 126.6 Ų | 126.6 | 58% | 0.583 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 125.2 | -170.2 | -61.5 | -85.5 | 0 | 0 | 0 | 110.1 | N193 E194 | D191-N193 PolarHBondContact O-N 3.42Å; D191-E194 PolarHBondContact O-N 3.45Å |
| 192 | P | 71.6 | Confident | 68.8 | Low | 124 Ų | 124 | 125 Ų | 125 | 81% | 0.805 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | -17 | -166.5 | -29 | 36.4 | 0 | 0 | 0 | 116 | ||
| 193 | N | 66.6 | Low | 71.1 | Confident | 131 Ų | 131 | 116.5 Ų | 116.5 | 70% | 0.701 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -7.5 | 177.8 | -70.2 | 12 | 0 | 0 | 0 | 113.9 | D191 P195 Y262 | D191-N193 PolarHBondContact O-N 3.42Å; N193-P195 WeakPolarHBondContact O-CD 3.42Å; N193-Y262 HydrophobicContact CB-CE2 4.14Å |
| 194 | E | 72.5 | Confident | 73.3 | Confident | 64 Ų | 64 | 112.5 Ų | 112.5 | 30% | 0.299 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -68.5 | 121.1 | 170 | -170.3 | -170.6 | -168.9 | 0 | 0 | 108.1 | K190 D191 V196 | K190-E194 WeakPolarHBondContact CE-OE2 3.48Å; K190-E194 WeakPolarHBondContact CG-OE2 3.3Å; K190-E194 IonicContact NZ-OE2 3.4Å; D191-E194 PolarHBondContact O-N 3.45Å; E194-V196 PolarHBondContact O-N 2.95Å |
| 195 | P | 76.9 | Confident | 75.3 | Confident | 13 Ų | 13 | 107.1 Ų | 107.1 | 8% | 0.084 | 52% | 0.522 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 130.8 | 176.7 | 23.2 | -31.6 | 0 | 0 | 0 | 109.4 | N193 Y255 Q258 L259 | N193-P195 WeakPolarHBondContact O-CD 3.42Å; P195-Y255 HydrophobicContact CB-CD2 4.09Å; P195-Y255 HydrophobicContact CB-CE2 4.37Å; P195-Y255 HydrophobicContact CG-CE2 4.43Å; P195-Y255 VanDerWaalsContact O-CE2 3.26Å; P195-Y255 WeakPolarHBondContact O-CE2 3.36Å; P195-Q258 HydrophobicContact CB-CB 3.9Å; P195-Q258 HydrophobicContact CG-CB 4.35Å; P195-L259 HydrophobicContact CG-CB 4.12Å; P195-L259 HydrophobicContact CG-CD1 4.24Å |
| 196 | V | 82.8 | Confident | 77.5 | Confident | 128 Ų | 128 | 99.2 Ų | 99.2 | 78% | 0.776 | 49% | 0.488 | S | S | * | . | P | Polyproline II helix | trans | -80.2 | 127 | -173.8 | -179.1 | 0 | 0 | 0 | 0 | 109.7 | E194 Y255 | E194-V196 PolarHBondContact O-N 2.95Å; V196-Y255 WeakPolarHBondContact O-CD2 3.32Å |
| 197 | K | 86.2 | Confident | 79.4 | Confident | 152 Ų | 152 | 97.1 Ų | 97.1 | 66% | 0.661 | 48% | 0.475 | S | S | * | . | P | Polyproline II helix | trans | -49.4 | 134.1 | 176.8 | -70.9 | -175 | 178.2 | -171.9 | 0 | 111.1 | Y255 | K197-Y255 HydrophobicContact CB-CE2 4.28Å; K197-Y255 HydrophobicContact CG-CE2 3.75Å |
| 198 | P | 87.6 | Confident | 81.1 | Confident | 45 Ų | 45 | 90.3 Ų | 90.3 | 29% | 0.292 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 144 | -179.5 | 30.4 | -39.4 | 0 | 0 | 0 | 110.4 | A251 K252 | P198-A251 HydrophobicContact CB-CB 4.14Å; P198-K252 HydrophobicContact CB-CB 4.46Å; P198-K252 HydrophobicContact CG-CB 3.96Å; P198-K252 HydrophobicContact CG-CG 4.26Å |
| 199 | V | 89.4 | Confident | 83 | Confident | 46 Ų | 46 | 81.2 Ų | 81.2 | 28% | 0.279 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -84.6 | 149 | 172 | -67.6 | 0 | 0 | 0 | 0 | 110.5 | A203 L204 T248 | V199-A203 HydrophobicContact CB-CB 3.96Å; V199-L204 HydrophobicContact CG2-CB 3.84Å; V199-L204 HydrophobicContact CG2-CD1 4.05Å; V199-L204 HydrophobicContact CG2-CG 4.16Å; V199-T248 VanDerWaalsContact O-CG2 3.25Å; V199-T248 WeakPolarHBondContact O-CG2 3.38Å; V199-T248 PolarHBondContact O-OG1 2.86Å |
| 200 | S | 93.8 | Very high | 85 | Confident | 71 Ų | 71 | 72.9 Ų | 72.9 | 50% | 0.497 | 38% | 0.38 | S | S | . | . | P | Polyproline II helix | trans | -61.4 | 162.4 | 175.8 | 65.1 | 0 | 0 | 0 | 0 | 111.8 | Y202 A203 L204 T248 | S200-Y202 VanDerWaalsContact C-N 3.34Å; S200-Y202 PolarHBondContact O-N 2.91Å; S200-A203 CarbonylContact O-C 3.53Å; S200-A203 PolarHBondContact O-N 2.88Å; S200-A203 WeakPolarHBondContact OG-CB 3.46Å; S200-A203 PolarHBondContact OG-N 3.26Å; S200-L204 PolarHBondContact O-N 3.35Å; S200-T248 VanDerWaalsContact C-OG1 3.31Å |
| 201 | A | 94 | Very high | 86.6 | Confident | 16 Ų | 16 | 68.5 Ų | 68.5 | 13% | 0.132 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -55 | -48.1 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L204 F205 W233 K245 T248 | A201-L204 PolarHBondContact O-N 3.47Å; A201-F205 PolarHBondContact O-N 3.19Å; A201-W233 HydrophobicContact CB-CH2 4.08Å; A201-K245 HydrophobicContact CB-CG 4.17Å; A201-T248 WeakPolarHBondContact CA-OG1 3.42Å; A201-T248 PolarHBondContact N-OG1 2.7Å |
| 202 | Y | 94.4 | Very high | 88.5 | Confident | 80 Ų | 80 | 66.7 Ų | 66.7 | 31% | 0.314 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62.5 | -42.8 | 173.8 | 175.7 | -122.7 | 0 | 0 | 0 | 112.2 | S200 L204 F205 F206 V229 W233 | S200-Y202 VanDerWaalsContact C-N 3.34Å; S200-Y202 PolarHBondContact O-N 2.91Å; Y202-L204 VanDerWaalsContact C-N 3.27Å; Y202-L204 PolarHBondContact O-N 3.08Å; Y202-F205 HydrophobicContact CD2-CD1 4.44Å; Y202-F205 PolarHBondContact O-N 3.1Å; Y202-F206 HydrophobicContact CE1-CD2 4.45Å; Y202-F206 HydrophobicContact CE2-CD2 4.49Å; Y202-F206 AromaticContact CZ-CD2 3.98Å; Y202-F206 VanDerWaalsContact O-CB 3.24Å; Y202-F206 WeakPolarHBondContact O-CB 3.45Å; Y202-F206 PolarHBondContact O-N 2.9Å; Y202-V229 HydrophobicContact CE2-CG1 4.37Å; Y202-W233 HydrophobicContact CD2-CB 3.85Å; Y202-W233 AromaticContact CD2-CD1 3.76Å; Y202-W233 AromaticContact CD2-CD2 3.62Å; Y202-W233 HydrophobicContact CD2-CD2 3.62Å; Y202-W233 HydrophobicContact CD2-CE3 4.17Å; Y202-W233 AromaticContact CD2-CG 3.44Å; Y202-W233 HydrophobicContact CD2-CG 3.44Å; Y202-W233 VanDerWaalsContact CD2-CG 3.44Å; Y202-W233 HydrophobicContact CE2-CB 3.72Å; Y202-W233 HydrophobicContact CE2-CD2 4.42Å; Y202-W233 AromaticContact CE2-CG 3.81Å; Y202-W233 HydrophobicContact CE2-CG 3.81Å; Y202-W233 HydrophobicContact CG-CD2 4.45Å; Y202-W233 HydrophobicContact CG-CG 4.49Å |
| 203 | A | 94.2 | Very high | 89.5 | Confident | 31 Ų | 31 | 61.5 Ų | 61.5 | 26% | 0.256 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -69 | -23.1 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | V199 S200 R207 | V199-A203 HydrophobicContact CB-CB 3.96Å; S200-A203 CarbonylContact O-C 3.53Å; S200-A203 PolarHBondContact O-N 2.88Å; S200-A203 WeakPolarHBondContact OG-CB 3.46Å; S200-A203 PolarHBondContact OG-N 3.26Å; A203-R207 VanDerWaalsContact O-CG 3.3Å; A203-R207 WeakPolarHBondContact O-CG 3.39Å; A203-R207 PolarHBondContact O-N 2.98Å |
| 204 | L | 93.6 | Very high | 90.7 | Very high | 37 Ų | 37 | 59.3 Ų | 59.3 | 19% | 0.194 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -75.1 | -48.5 | 171.9 | -159.6 | 141.8 | 0 | 0 | 0 | 110.8 | V199 S200 A201 Y202 F206 R207 D208 Y244 | V199-L204 HydrophobicContact CG2-CB 3.84Å; V199-L204 HydrophobicContact CG2-CD1 4.05Å; V199-L204 HydrophobicContact CG2-CG 4.16Å; S200-L204 PolarHBondContact O-N 3.35Å; A201-L204 PolarHBondContact O-N 3.47Å; Y202-L204 VanDerWaalsContact C-N 3.27Å; Y202-L204 PolarHBondContact O-N 3.08Å; L204-F206 VanDerWaalsContact C-N 3.32Å; L204-F206 PolarHBondContact O-N 3.16Å; L204-R207 PolarHBondContact O-N 2.67Å; L204-D208 PolarHBondContact O-N 2.9Å; L204-Y244 HydrophobicContact CD2-CD1 3.71Å; L204-Y244 HydrophobicContact CD2-CE1 3.85Å |
| 205 | F | 94.9 | Very high | 91.7 | Very high | 8 Ų | 8 | 60.1 Ų | 60.1 | 4% | 0.035 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 171.2 | 173.6 | -101 | 0 | 0 | 0 | 111.6 | A201 Y202 R207 D208 T209 V229 M232 W233 L236 Y244 | A201-F205 PolarHBondContact O-N 3.19Å; Y202-F205 HydrophobicContact CD2-CD1 4.44Å; Y202-F205 PolarHBondContact O-N 3.1Å; F205-R207 VanDerWaalsContact C-N 3.28Å; F205-R207 PolarHBondContact O-N 2.88Å; F205-D208 PolarHBondContact O-N 3.4Å; F205-T209 WeakPolarHBondContact CD2-OG1 3.37Å; F205-T209 HydrophobicContact CE1-CG2 4.33Å; F205-T209 HydrophobicContact CE2-CG2 4.49Å; F205-T209 WeakPolarHBondContact CE2-OG1 3.29Å; F205-T209 HydrophobicContact CZ-CG2 3.98Å; F205-T209 VanDerWaalsContact CZ-OG1 3.26Å; F205-T209 WeakPolarHBondContact CZ-OG1 3.4Å; F205-T209 WeakPolarHBondContact O-CB 3.26Å; F205-T209 PolarHBondContact O-N 3.08Å; F205-T209 PolarHBondContact O-OG1 3.28Å; F205-T209 VanDerWaalsContact O-OG1 3.09Å; F205-V229 HydrophobicContact CD1-CG1 4.15Å; F205-V229 HydrophobicContact CE1-CG1 3.98Å; F205-M232 HydrophobicContact CE1-CB 4.3Å; F205-M232 HydrophobicContact CZ-CB 3.95Å; F205-W233 HydrophobicContact CB-CE3 3.72Å; F205-W233 HydrophobicContact CB-CZ3 3.78Å; F205-W233 HydrophobicContact CD1-CB 3.91Å; F205-W233 HydrophobicContact CD1-CD2 4.32Å; F205-W233 AromaticContact CD1-CE3 3.63Å; F205-W233 HydrophobicContact CD1-CE3 3.63Å; F205-W233 HydrophobicContact CD1-CG 4.47Å; F205-W233 HydrophobicContact CD2-CE3 4.3Å; F205-W233 HydrophobicContact CE1-CB 3.7Å; F205-W233 HydrophobicContact CE1-CE3 4.3Å; F205-W233 AromaticContact CG-CE3 3.61Å; F205-W233 HydrophobicContact CG-CE3 3.61Å; F205-W233 HydrophobicContact CG-CZ3 4.11Å; F205-L236 HydrophobicContact CD2-CD1 3.97Å; F205-L236 HydrophobicContact CE2-CD1 3.8Å; F205-L236 HydrophobicContact CE2-CD2 4.36Å; F205-L236 HydrophobicContact CE2-CG 4.39Å; F205-L236 HydrophobicContact CZ-CD1 4.23Å; F205-L236 HydrophobicContact CZ-CG 4.49Å; F205-Y244 HydrophobicContact CB-CD1 4.06Å; F205-Y244 HydrophobicContact CB-CD2 4.42Å; F205-Y244 HydrophobicContact CB-CE1 4.06Å; F205-Y244 HydrophobicContact CB-CE2 4.42Å; F205-Y244 HydrophobicContact CB-CG 4.27Å; F205-Y244 HydrophobicContact CD2-CD2 4.35Å; F205-Y244 HydrophobicContact CD2-CE1 4.34Å; F205-Y244 AromaticContact CD2-CE2 3.71Å; F205-Y244 HydrophobicContact CD2-CE2 3.71Å; F205-Y244 AromaticContact CD2-CZ 3.71Å |
| 206 | F | 95.4 | Very high | 92.5 | Very high | 34 Ų | 34 | 65.5 Ų | 65.5 | 15% | 0.149 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -56.4 | -43.7 | -179.4 | -173.9 | -78 | 0 | 0 | 0 | 111.2 | Y202 L204 Q210 F222 V229 | Y202-F206 HydrophobicContact CE1-CD2 4.45Å; Y202-F206 HydrophobicContact CE2-CD2 4.49Å; Y202-F206 AromaticContact CZ-CD2 3.98Å; Y202-F206 VanDerWaalsContact O-CB 3.24Å; Y202-F206 WeakPolarHBondContact O-CB 3.45Å; Y202-F206 PolarHBondContact O-N 2.9Å; L204-F206 VanDerWaalsContact C-N 3.32Å; L204-F206 PolarHBondContact O-N 3.16Å; F206-Q210 HydrophobicContact CD1-CB 4.24Å; F206-Q210 HydrophobicContact CE1-CB 4.17Å; F206-Q210 HydrophobicContact CE1-CG 4.22Å; F206-Q210 WeakPolarHBondContact O-CA 3.45Å; F206-Q210 WeakPolarHBondContact O-CB 3.3Å; F206-Q210 PolarHBondContact O-N 3.02Å; F206-F222 AromaticContact CE1-CE2 3.96Å; F206-F222 HydrophobicContact CE1-CE2 3.96Å; F206-F222 HydrophobicContact CE1-CZ 4.11Å; F206-F222 AromaticContact CZ-CE2 3.88Å; F206-F222 HydrophobicContact CZ-CE2 3.88Å; F206-F222 AromaticContact CZ-CZ 3.77Å; F206-F222 HydrophobicContact CZ-CZ 3.77Å; F206-V229 HydrophobicContact CB-CG1 4.02Å; F206-V229 HydrophobicContact CD2-CB 4.09Å; F206-V229 HydrophobicContact CD2-CG1 3.37Å; F206-V229 HydrophobicContact CE2-CB 4.24Å; F206-V229 HydrophobicContact CE2-CG1 4.02Å; F206-V229 HydrophobicContact CG-CG1 3.88Å |
| 207 | R | 94.3 | Very high | 92.8 | Very high | 160 Ų | 160 | 63.4 Ų | 63.4 | 60% | 0.604 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -69.2 | -41 | -179.9 | -71.5 | 174.9 | 69.1 | 173.5 | 1.2 | 113.2 | A203 L204 F205 A211 | A203-R207 VanDerWaalsContact O-CG 3.3Å; A203-R207 WeakPolarHBondContact O-CG 3.39Å; A203-R207 PolarHBondContact O-N 2.98Å; L204-R207 PolarHBondContact O-N 2.67Å; F205-R207 VanDerWaalsContact C-N 3.28Å; F205-R207 PolarHBondContact O-N 2.88Å; R207-A211 WeakPolarHBondContact O-CB 3.23Å; R207-A211 PolarHBondContact O-N 3.45Å |
| 208 | D | 93.6 | Very high | 93.1 | Very high | 57 Ų | 57 | 60.1 Ų | 60.1 | 31% | 0.305 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67 | -47.4 | 176.5 | -85.1 | -6 | 0 | 0 | 0 | 110.9 | K80 L204 F205 A211 N212 | K80-D208 IonicContact NZ-OD1 2.74Å; K80-D208 PolarHBondContact NZ-OD1 2.81Å; K80-D208 IonicContact NZ-OD2 2.69Å; K80-D208 PolarHBondContact NZ-OD2 3.34Å; L204-D208 PolarHBondContact O-N 2.9Å; F205-D208 PolarHBondContact O-N 3.4Å; D208-A211 PolarHBondContact O-N 3.43Å; D208-N212 PolarHBondContact O-N 3.18Å |
| 209 | T | 93.9 | Very high | 93.4 | Very high | 15 Ų | 15 | 65.5 Ų | 65.5 | 9% | 0.092 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -74.6 | -40.1 | -176.5 | -53.6 | 0 | 0 | 0 | 0 | 112.7 | F205 A211 N212 I213 V229 M232 | F205-T209 WeakPolarHBondContact CD2-OG1 3.37Å; F205-T209 HydrophobicContact CE1-CG2 4.33Å; F205-T209 HydrophobicContact CE2-CG2 4.49Å; F205-T209 WeakPolarHBondContact CE2-OG1 3.29Å; F205-T209 HydrophobicContact CZ-CG2 3.98Å; F205-T209 VanDerWaalsContact CZ-OG1 3.26Å; F205-T209 WeakPolarHBondContact CZ-OG1 3.4Å; F205-T209 WeakPolarHBondContact O-CB 3.26Å; F205-T209 PolarHBondContact O-N 3.08Å; F205-T209 PolarHBondContact O-OG1 3.28Å; F205-T209 VanDerWaalsContact O-OG1 3.09Å; T209-A211 VanDerWaalsContact C-N 3.29Å; T209-A211 PolarHBondContact O-N 2.99Å; T209-N212 PolarHBondContact O-N 2.86Å; T209-I213 HydrophobicContact CG2-CD1 3.84Å; T209-I213 HydrophobicContact CG2-CG1 4.42Å; T209-I213 WeakPolarHBondContact O-CG1 3.07Å; T209-I213 PolarHBondContact O-N 2.96Å; T209-V229 HydrophobicContact CG2-CG2 3.97Å; T209-M232 HydrophobicContact CG2-CE 3.86Å; T209-M232 HydrophobicContact CG2-SD 3.71Å |
| 210 | Q | 94.6 | Very high | 93.5 | Very high | 57 Ų | 57 | 64.3 Ų | 64.3 | 27% | 0.266 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 173.3 | -176.4 | -154.4 | -7.8 | 0 | 0 | 110.8 | F206 K214 V225 V229 | F206-Q210 HydrophobicContact CD1-CB 4.24Å; F206-Q210 HydrophobicContact CE1-CB 4.17Å; F206-Q210 HydrophobicContact CE1-CG 4.22Å; F206-Q210 WeakPolarHBondContact O-CA 3.45Å; F206-Q210 WeakPolarHBondContact O-CB 3.3Å; F206-Q210 PolarHBondContact O-N 3.02Å; Q210-K214 WeakPolarHBondContact O-CB 3.46Å; Q210-K214 PolarHBondContact O-N 2.8Å; Q210-V225 HydrophobicContact CB-CG1 4.16Å; Q210-V225 HydrophobicContact CG-CG1 3.7Å; Q210-V229 HydrophobicContact CB-CG2 4.46Å |
| 211 | A | 93.4 | Very high | 93.5 | Very high | 60 Ų | 60 | 64.7 Ų | 64.7 | 50% | 0.496 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | R207 D208 T209 K214 A215 | R207-A211 WeakPolarHBondContact O-CB 3.23Å; R207-A211 PolarHBondContact O-N 3.45Å; D208-A211 PolarHBondContact O-N 3.43Å; T209-A211 VanDerWaalsContact C-N 3.29Å; T209-A211 PolarHBondContact O-N 2.99Å; A211-K214 PolarHBondContact O-N 3.34Å; A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.03Å |
| 212 | N | 94.1 | Very high | 93.4 | Very high | 72 Ų | 72 | 70 Ų | 70 | 39% | 0.385 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 178.9 | -161.9 | 40.7 | 0 | 0 | 0 | 112.2 | D208 T209 K214 A215 Q216 | D208-N212 PolarHBondContact O-N 3.18Å; T209-N212 PolarHBondContact O-N 2.86Å; N212-K214 VanDerWaalsContact C-N 3.35Å; N212-K214 PolarHBondContact O-N 3.42Å; N212-A215 PolarHBondContact O-N 3.2Å; N212-Q216 WeakPolarHBondContact O-CG 3.49Å; N212-Q216 PolarHBondContact O-N 2.83Å; N212-Q216 VanDerWaalsContact O-N 3.14Å |
| 213 | I | 93.2 | Very high | 93.5 | Very high | 14 Ų | 14 | 68.1 Ų | 68.1 | 7% | 0.072 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 178 | -63.2 | 163.2 | 0 | 0 | 0 | 110.8 | T209 A215 Q216 N217 V225 I228 V229 M232 | T209-I213 HydrophobicContact CG2-CD1 3.84Å; T209-I213 HydrophobicContact CG2-CG1 4.42Å; T209-I213 WeakPolarHBondContact O-CG1 3.07Å; T209-I213 PolarHBondContact O-N 2.96Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.03Å; I213-Q216 PolarHBondContact O-N 3.34Å; I213-N217 WeakPolarHBondContact O-CB 3.5Å; I213-N217 PolarHBondContact O-N 3.46Å; I213-V225 HydrophobicContact CB-CG1 4.04Å; I213-V225 HydrophobicContact CD1-CG1 4.26Å; I213-V225 HydrophobicContact CG2-CB 4.43Å; I213-V225 HydrophobicContact CG2-CG1 3.99Å; I213-V225 HydrophobicContact CG2-CG2 3.9Å; I213-I228 HydrophobicContact CD1-CB 4.17Å; I213-I228 HydrophobicContact CD1-CG2 3.63Å; I213-I228 HydrophobicContact CG2-CD1 4.49Å; I213-V229 HydrophobicContact CD1-CG2 3.68Å; I213-M232 HydrophobicContact CD1-SD 4.09Å |
| 214 | K | 92.6 | Very high | 93.5 | Very high | 86 Ų | 86 | 71.5 Ų | 71.5 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -72.5 | -25.2 | -178.9 | -170.9 | 55.6 | 167.9 | 174.6 | 0 | 113.1 | Q210 A211 N212 N217 P218 A220 | Q210-K214 WeakPolarHBondContact O-CB 3.46Å; Q210-K214 PolarHBondContact O-N 2.8Å; A211-K214 PolarHBondContact O-N 3.34Å; N212-K214 VanDerWaalsContact C-N 3.35Å; N212-K214 PolarHBondContact O-N 3.42Å; K214-N217 CarbonylContact O-C 3.45Å; K214-P218 PolarHBondContact NZ-O 3.32Å; K214-P218 WeakPolarHBondContact O-CA 3.5Å; K214-A220 PolarHBondContact NZ-O 3.39Å |
| 215 | A | 92.7 | Very high | 93.6 | Very high | 80 Ų | 80 | 69.9 Ų | 69.9 | 66% | 0.661 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -71.3 | -40.8 | 170 | 0 | 0 | 0 | 0 | 0 | 111.9 | A211 N212 I213 | A211-A215 WeakPolarHBondContact O-CB 3.36Å; A211-A215 PolarHBondContact O-N 3.03Å; N212-A215 PolarHBondContact O-N 3.2Å; I213-A215 VanDerWaalsContact C-N 3.33Å; I213-A215 PolarHBondContact O-N 3.03Å |
| 216 | Q | 93.4 | Very high | 93.6 | Very high | 127 Ų | 127 | 70.7 Ų | 70.7 | 59% | 0.593 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.2 | -37.3 | 175.5 | -65.4 | 173.6 | 15.4 | 0 | 0 | 112.4 | N212 I213 P218 | N212-Q216 WeakPolarHBondContact O-CG 3.49Å; N212-Q216 PolarHBondContact O-N 2.83Å; N212-Q216 VanDerWaalsContact O-N 3.14Å; I213-Q216 PolarHBondContact O-N 3.34Å; Q216-P218 WeakPolarHBondContact O-CD 3.43Å |
| 217 | N | 89.9 | Confident | 93.6 | Very high | 83 Ų | 83 | 77 Ų | 77 | 44% | 0.444 | 41% | 0.414 | S | S | . | . | trans | -123.8 | 72 | -175 | -63.6 | -87.2 | 0 | 0 | 0 | 110.6 | I213 K214 N219 A220 | I213-N217 WeakPolarHBondContact O-CB 3.5Å; I213-N217 PolarHBondContact O-N 3.46Å; K214-N217 CarbonylContact O-C 3.45Å; N217-N219 PolarHBondContact O-N 2.74Å; N217-N219 VanDerWaalsContact O-N 3.13Å; N217-A220 HydrophobicContact CB-CB 3.82Å; N217-A220 WeakPolarHBondContact O-CB 3.29Å; N217-A220 PolarHBondContact O-N 3.06Å | ||
| 218 | P | 91.6 | Very high | 93.6 | Very high | 84 Ų | 84 | 73.1 Ų | 73.1 | 55% | 0.545 | 41% | 0.405 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -25 | -177.7 | 24.2 | -34.5 | 0 | 0 | 0 | 113 | K214 Q216 | K214-P218 PolarHBondContact NZ-O 3.32Å; K214-P218 WeakPolarHBondContact O-CA 3.5Å; Q216-P218 WeakPolarHBondContact O-CD 3.43Å |
| 219 | N | 93.5 | Very high | 93.8 | Very high | 157 Ų | 157 | 70.4 Ų | 70.4 | 84% | 0.84 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -18.7 | 177.8 | -65.2 | -16.2 | 0 | 0 | 0 | 114 | N217 | N217-N219 PolarHBondContact O-N 2.74Å; N217-N219 VanDerWaalsContact O-N 3.13Å |
| 220 | A | 91.5 | Very high | 93.8 | Very high | 21 Ų | 21 | 71.1 Ų | 71.1 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | trans | -64.2 | 137 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112 | K214 N217 V225 | K214-A220 PolarHBondContact NZ-O 3.39Å; N217-A220 HydrophobicContact CB-CB 3.82Å; N217-A220 WeakPolarHBondContact O-CB 3.29Å; N217-A220 PolarHBondContact O-N 3.06Å; A220-V225 HydrophobicContact CB-CG2 3.93Å | ||
| 221 | T | 95.3 | Very high | 93.9 | Very high | 79 Ų | 79 | 72.4 Ų | 72.4 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | trans | -71.2 | 158.2 | 178.2 | 70.2 | 0 | 0 | 0 | 0 | 111.3 | G223 E224 V225 | T221-G223 PolarHBondContact O-N 3.09Å; T221-E224 WeakPolarHBondContact CA-OE2 3.49Å; T221-E224 WeakPolarHBondContact CB-OE2 3.47Å; T221-E224 VanDerWaalsContact CG2-OE2 3.3Å; T221-E224 WeakPolarHBondContact CG2-OE2 3.43Å; T221-E224 PolarHBondContact N-OE2 3.34Å; T221-E224 PolarHBondContact O-N 3.33Å; T221-E224 VanDerWaalsContact OG1-CD 3.29Å; T221-E224 WeakPolarHBondContact OG1-CG 3.38Å; T221-E224 PolarHBondContact OG1-N 3.38Å; T221-E224 PolarHBondContact OG1-OE2 2.83Å; T221-V225 WeakPolarHBondContact O-CG2 3.3Å; T221-V225 PolarHBondContact O-N 3.41Å; T221-V225 VanDerWaalsContact O-N 3.13Å | ||
| 222 | F | 91.5 | Very high | 94 | Very high | 129 Ų | 129 | 73.9 Ų | 73.9 | 57% | 0.566 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -58.6 | -32.4 | 175.5 | 179.9 | -99.3 | 0 | 0 | 0 | 112.5 | F206 S226 | F206-F222 AromaticContact CE1-CE2 3.96Å; F206-F222 HydrophobicContact CE1-CE2 3.96Å; F206-F222 HydrophobicContact CE1-CZ 4.11Å; F206-F222 AromaticContact CZ-CE2 3.88Å; F206-F222 HydrophobicContact CZ-CE2 3.88Å; F206-F222 AromaticContact CZ-CZ 3.77Å; F206-F222 HydrophobicContact CZ-CZ 3.77Å; F222-S226 WeakPolarHBondContact CE1-OG 3.43Å; F222-S226 WeakPolarHBondContact CZ-OG 3.22Å; F222-S226 VanDerWaalsContact O-CB 3.29Å; F222-S226 WeakPolarHBondContact O-CB 3.48Å; F222-S226 PolarHBondContact O-N 2.99Å; F222-S226 PolarHBondContact O-OG 3.05Å |
| 223 | G | 95.8 | Very high | 94.1 | Very high | 40 Ų | 40 | 72.3 Ų | 72.3 | 41% | 0.412 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -68.3 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | T221 S226 K227 | T221-G223 PolarHBondContact O-N 3.09Å; G223-S226 PolarHBondContact O-N 3.14Å; G223-K227 WeakPolarHBondContact O-CG 3.42Å; G223-K227 PolarHBondContact O-N 2.83Å; G223-K227 VanDerWaalsContact O-N 3.16Å |
| 224 | E | 95.1 | Very high | 94.3 | Very high | 102 Ų | 102 | 76.7 Ų | 76.7 | 48% | 0.477 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.1 | -48.6 | 176.2 | -68.3 | 154.9 | 134.6 | 0 | 0 | 110.9 | T221 S226 K227 I228 | T221-E224 WeakPolarHBondContact CA-OE2 3.49Å; T221-E224 WeakPolarHBondContact CB-OE2 3.47Å; T221-E224 VanDerWaalsContact CG2-OE2 3.3Å; T221-E224 WeakPolarHBondContact CG2-OE2 3.43Å; T221-E224 PolarHBondContact N-OE2 3.34Å; T221-E224 PolarHBondContact O-N 3.33Å; T221-E224 VanDerWaalsContact OG1-CD 3.29Å; T221-E224 WeakPolarHBondContact OG1-CG 3.38Å; T221-E224 PolarHBondContact OG1-N 3.38Å; T221-E224 PolarHBondContact OG1-OE2 2.83Å; E224-S226 VanDerWaalsContact C-N 3.29Å; E224-S226 PolarHBondContact O-N 3.04Å; E224-K227 PolarHBondContact O-N 2.79Å; E224-I228 WeakPolarHBondContact O-CG1 3.49Å; E224-I228 PolarHBondContact O-N 2.75Å; E224-I228 VanDerWaalsContact O-N 3.09Å |
| 225 | V | 94.8 | Very high | 94.4 | Very high | 2 Ų | 2 | 75.9 Ų | 75.9 | 1% | 0.012 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -59.5 | -40.8 | 176.8 | -179.1 | 0 | 0 | 0 | 0 | 111 | Q210 I213 A220 T221 K227 I228 V229 | Q210-V225 HydrophobicContact CB-CG1 4.16Å; Q210-V225 HydrophobicContact CG-CG1 3.7Å; I213-V225 HydrophobicContact CB-CG1 4.04Å; I213-V225 HydrophobicContact CD1-CG1 4.26Å; I213-V225 HydrophobicContact CG2-CB 4.43Å; I213-V225 HydrophobicContact CG2-CG1 3.99Å; I213-V225 HydrophobicContact CG2-CG2 3.9Å; A220-V225 HydrophobicContact CB-CG2 3.93Å; T221-V225 WeakPolarHBondContact O-CG2 3.3Å; T221-V225 PolarHBondContact O-N 3.41Å; T221-V225 VanDerWaalsContact O-N 3.13Å; V225-K227 PolarHBondContact O-N 3.02Å; V225-I228 PolarHBondContact O-N 2.93Å; V225-V229 HydrophobicContact CG1-CG2 4.13Å; V225-V229 WeakPolarHBondContact O-CB 3.42Å; V225-V229 VanDerWaalsContact O-CG2 3.23Å; V225-V229 WeakPolarHBondContact O-CG2 3.24Å; V225-V229 PolarHBondContact O-N 3.39Å |
| 226 | S | 95.3 | Very high | 94.5 | Very high | 26 Ų | 26 | 73.6 Ų | 73.6 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 178 | -60.5 | 0 | 0 | 0 | 0 | 112.9 | F222 G223 E224 A230 | F222-S226 WeakPolarHBondContact CE1-OG 3.43Å; F222-S226 WeakPolarHBondContact CZ-OG 3.22Å; F222-S226 VanDerWaalsContact O-CB 3.29Å; F222-S226 WeakPolarHBondContact O-CB 3.48Å; F222-S226 PolarHBondContact O-N 2.99Å; F222-S226 PolarHBondContact O-OG 3.05Å; G223-S226 PolarHBondContact O-N 3.14Å; E224-S226 VanDerWaalsContact C-N 3.29Å; E224-S226 PolarHBondContact O-N 3.04Å; S226-A230 WeakPolarHBondContact O-CB 3.23Å; S226-A230 PolarHBondContact O-N 3.38Å |
| 227 | K | 96.1 | Very high | 94.7 | Very high | 165 Ų | 165 | 69.3 Ų | 69.3 | 72% | 0.717 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.9 | -43.7 | 176.2 | -72.3 | 176 | 178.6 | -174.6 | 0 | 111.9 | G223 E224 V225 A230 S231 | G223-K227 WeakPolarHBondContact O-CG 3.42Å; G223-K227 PolarHBondContact O-N 2.83Å; G223-K227 VanDerWaalsContact O-N 3.16Å; E224-K227 PolarHBondContact O-N 2.79Å; V225-K227 PolarHBondContact O-N 3.02Å; K227-A230 PolarHBondContact O-N 3.35Å; K227-S231 PolarHBondContact O-N 3.21Å; K227-S231 VanDerWaalsContact O-N 3.08Å |
| 228 | I | 94.8 | Very high | 94.9 | Very high | 79 Ų | 79 | 70 Ų | 70 | 41% | 0.405 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 177.3 | -61.9 | 163 | 0 | 0 | 0 | 109.8 | I213 E224 V225 A230 S231 M232 | I213-I228 HydrophobicContact CD1-CB 4.17Å; I213-I228 HydrophobicContact CD1-CG2 3.63Å; I213-I228 HydrophobicContact CG2-CD1 4.49Å; E224-I228 WeakPolarHBondContact O-CG1 3.49Å; E224-I228 PolarHBondContact O-N 2.75Å; E224-I228 VanDerWaalsContact O-N 3.09Å; V225-I228 PolarHBondContact O-N 2.93Å; I228-A230 PolarHBondContact O-N 3.38Å; I228-S231 PolarHBondContact O-N 3.25Å; I228-M232 HydrophobicContact CG2-CG 4.3Å; I228-M232 HydrophobicContact CG2-SD 3.97Å; I228-M232 WeakPolarHBondContact O-CB 3.33Å; I228-M232 VanDerWaalsContact O-CG 3.29Å; I228-M232 WeakPolarHBondContact O-CG 3.5Å; I228-M232 PolarHBondContact O-N 2.84Å |
| 229 | V | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -62.5 | -40.2 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 112.4 | Y202 F205 F206 T209 Q210 I213 V225 M232 W233 | Y202-V229 HydrophobicContact CE2-CG1 4.37Å; F205-V229 HydrophobicContact CD1-CG1 4.15Å; F205-V229 HydrophobicContact CE1-CG1 3.98Å; F206-V229 HydrophobicContact CB-CG1 4.02Å; F206-V229 HydrophobicContact CD2-CB 4.09Å; F206-V229 HydrophobicContact CD2-CG1 3.37Å; F206-V229 HydrophobicContact CE2-CB 4.24Å; F206-V229 HydrophobicContact CE2-CG1 4.02Å; F206-V229 HydrophobicContact CG-CG1 3.88Å; T209-V229 HydrophobicContact CG2-CG2 3.97Å; Q210-V229 HydrophobicContact CB-CG2 4.46Å; I213-V229 HydrophobicContact CD1-CG2 3.68Å; V225-V229 HydrophobicContact CG1-CG2 4.13Å; V225-V229 WeakPolarHBondContact O-CB 3.42Å; V225-V229 VanDerWaalsContact O-CG2 3.23Å; V225-V229 WeakPolarHBondContact O-CG2 3.24Å; V225-V229 PolarHBondContact O-N 3.39Å; V229-M232 PolarHBondContact O-N 2.93Å; V229-W233 WeakPolarHBondContact O-CB 2.94Å; V229-W233 PolarHBondContact O-N 3.05Å |
| 230 | A | 95.9 | Very high | 95.1 | Very high | 30 Ų | 30 | 70.9 Ų | 70.9 | 25% | 0.248 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -60.8 | -53.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | S226 K227 I228 M232 W233 D234 | S226-A230 WeakPolarHBondContact O-CB 3.23Å; S226-A230 PolarHBondContact O-N 3.38Å; K227-A230 PolarHBondContact O-N 3.35Å; I228-A230 PolarHBondContact O-N 3.38Å; A230-M232 VanDerWaalsContact C-N 3.29Å; A230-M232 PolarHBondContact O-N 3.22Å; A230-W233 WeakPolarHBondContact O-CB 3.21Å; A230-W233 PolarHBondContact O-N 2.92Å; A230-D234 PolarHBondContact O-N 3.17Å |
| 231 | S | 96.7 | Very high | 95.2 | Very high | 85 Ų | 85 | 71.6 Ų | 71.6 | 59% | 0.594 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.2 | -38.1 | 178 | 176.8 | 0 | 0 | 0 | 0 | 113.2 | K227 I228 G235 | K227-S231 PolarHBondContact O-N 3.21Å; K227-S231 VanDerWaalsContact O-N 3.08Å; I228-S231 PolarHBondContact O-N 3.25Å; S231-G235 PolarHBondContact O-N 2.89Å; S231-G235 VanDerWaalsContact O-N 3.09Å |
| 232 | M | 95.3 | Very high | 95.2 | Very high | 90 Ų | 90 | 72.3 Ų | 72.3 | 44% | 0.443 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 173.9 | -72.5 | -179.3 | 72.7 | 0 | 0 | 112.7 | F205 T209 I213 I228 V229 A230 L236 | F205-M232 HydrophobicContact CE1-CB 4.3Å; F205-M232 HydrophobicContact CZ-CB 3.95Å; T209-M232 HydrophobicContact CG2-CE 3.86Å; T209-M232 HydrophobicContact CG2-SD 3.71Å; I213-M232 HydrophobicContact CD1-SD 4.09Å; I228-M232 HydrophobicContact CG2-CG 4.3Å; I228-M232 HydrophobicContact CG2-SD 3.97Å; I228-M232 WeakPolarHBondContact O-CB 3.33Å; I228-M232 VanDerWaalsContact O-CG 3.29Å; I228-M232 WeakPolarHBondContact O-CG 3.5Å; I228-M232 PolarHBondContact O-N 2.84Å; V229-M232 PolarHBondContact O-N 2.93Å; A230-M232 VanDerWaalsContact C-N 3.29Å; A230-M232 PolarHBondContact O-N 3.22Å; M232-L236 WeakPolarHBondContact O-CG 3.43Å; M232-L236 PolarHBondContact O-N 3.25Å |
| 233 | W | 95.7 | Very high | 95.4 | Very high | 39 Ų | 39 | 68.7 Ų | 68.7 | 15% | 0.148 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.2 | -45.8 | 175.9 | 173.1 | -100 | 0 | 0 | 0 | 111.4 | A201 Y202 F205 V229 A230 G235 L236 K241 Y244 | A201-W233 HydrophobicContact CB-CH2 4.08Å; Y202-W233 HydrophobicContact CD2-CB 3.85Å; Y202-W233 AromaticContact CD2-CD1 3.76Å; Y202-W233 AromaticContact CD2-CD2 3.62Å; Y202-W233 HydrophobicContact CD2-CD2 3.62Å; Y202-W233 HydrophobicContact CD2-CE3 4.17Å; Y202-W233 AromaticContact CD2-CG 3.44Å; Y202-W233 HydrophobicContact CD2-CG 3.44Å; Y202-W233 VanDerWaalsContact CD2-CG 3.44Å; Y202-W233 HydrophobicContact CE2-CB 3.72Å; Y202-W233 HydrophobicContact CE2-CD2 4.42Å; Y202-W233 AromaticContact CE2-CG 3.81Å; Y202-W233 HydrophobicContact CE2-CG 3.81Å; Y202-W233 HydrophobicContact CG-CD2 4.45Å; Y202-W233 HydrophobicContact CG-CG 4.49Å; F205-W233 HydrophobicContact CB-CE3 3.72Å; F205-W233 HydrophobicContact CB-CZ3 3.78Å; F205-W233 HydrophobicContact CD1-CB 3.91Å; F205-W233 HydrophobicContact CD1-CD2 4.32Å; F205-W233 AromaticContact CD1-CE3 3.63Å; F205-W233 HydrophobicContact CD1-CE3 3.63Å; F205-W233 HydrophobicContact CD1-CG 4.47Å; F205-W233 HydrophobicContact CD2-CE3 4.3Å; F205-W233 HydrophobicContact CE1-CB 3.7Å; F205-W233 HydrophobicContact CE1-CE3 4.3Å; F205-W233 AromaticContact CG-CE3 3.61Å; F205-W233 HydrophobicContact CG-CE3 3.61Å; F205-W233 HydrophobicContact CG-CZ3 4.11Å; V229-W233 WeakPolarHBondContact O-CB 2.94Å; V229-W233 PolarHBondContact O-N 3.05Å; A230-W233 WeakPolarHBondContact O-CB 3.21Å; A230-W233 PolarHBondContact O-N 2.92Å; W233-G235 VanDerWaalsContact C-N 3.27Å; W233-G235 PolarHBondContact O-N 3.25Å; W233-L236 HydrophobicContact CE3-CD1 3.7Å; W233-L236 HydrophobicContact CZ3-CD1 4.04Å; W233-L236 WeakPolarHBondContact O-CB 3.38Å; W233-L236 PolarHBondContact O-N 3.02Å; W233-K241 HydrophobicContact CH2-CB 4.28Å; W233-K241 HydrophobicContact CH2-CG 4.06Å; W233-K241 HydrophobicContact CZ2-CG 4.07Å; W233-K241 HydrophobicContact CZ3-CG 4.35Å; W233-K241 WeakPolarHBondContact O-CE 3.42Å; W233-K241 PolarHBondContact O-NZ 3.44Å; W233-Y244 HydrophobicContact CZ3-CD2 4.06Å; W233-Y244 HydrophobicContact CZ3-CG 4.17Å |
| 234 | D | 96.4 | Very high | 95.4 | Very high | 107 Ų | 107 | 68.3 Ų | 68.3 | 57% | 0.572 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -61.1 | -41.2 | 179.9 | -61.7 | -30.7 | 0 | 0 | 0 | 110.5 | A230 L236 K241 | A230-D234 PolarHBondContact O-N 3.17Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 3.4Å; D234-K241 PolarHBondContact O-NZ 2.77Å |
| 235 | G | 95.8 | Very high | 95.3 | Very high | 69 Ų | 69 | 67.5 Ų | 67.5 | 71% | 0.711 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -6.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 116.9 | S231 W233 | S231-G235 PolarHBondContact O-N 2.89Å; S231-G235 VanDerWaalsContact O-N 3.09Å; W233-G235 VanDerWaalsContact C-N 3.27Å; W233-G235 PolarHBondContact O-N 3.25Å |
| 236 | L | 94.6 | Very high | 95.3 | Very high | 32 Ų | 32 | 74.4 Ų | 74.4 | 17% | 0.168 | 40% | 0.395 | C | S | . | . | S | Bend | trans | -67.9 | 140.2 | 172.8 | -69 | -175 | 0 | 0 | 0 | 111 | F205 M232 W233 D234 Q240 K241 Y244 | F205-L236 HydrophobicContact CD2-CD1 3.97Å; F205-L236 HydrophobicContact CE2-CD1 3.8Å; F205-L236 HydrophobicContact CE2-CD2 4.36Å; F205-L236 HydrophobicContact CE2-CG 4.39Å; F205-L236 HydrophobicContact CZ-CD1 4.23Å; F205-L236 HydrophobicContact CZ-CG 4.49Å; M232-L236 WeakPolarHBondContact O-CG 3.43Å; M232-L236 PolarHBondContact O-N 3.25Å; W233-L236 HydrophobicContact CE3-CD1 3.7Å; W233-L236 HydrophobicContact CZ3-CD1 4.04Å; W233-L236 WeakPolarHBondContact O-CB 3.38Å; W233-L236 PolarHBondContact O-N 3.02Å; D234-L236 VanDerWaalsContact C-N 3.33Å; D234-L236 PolarHBondContact O-N 3.4Å; L236-Q240 HydrophobicContact CB-CB 4.18Å; L236-Q240 HydrophobicContact CD1-CB 4.34Å; L236-Q240 HydrophobicContact CD2-CB 4.35Å; L236-K241 HydrophobicContact CB-CD 4.41Å; L236-K241 HydrophobicContact CB-CG 3.96Å; L236-K241 HydrophobicContact CD1-CG 4.5Å; L236-K241 VanDerWaalsContact O-CE 3.22Å; L236-K241 WeakPolarHBondContact O-CE 3.35Å; L236-K241 PolarHBondContact O-NZ 3.03Å; L236-Y244 HydrophobicContact CD1-CD2 4.31Å; L236-Y244 HydrophobicContact CD1-CE2 4.24Å |
| 237 | G | 96.4 | Very high | 95.2 | Very high | 37 Ų | 37 | 76.3 Ų | 76.3 | 38% | 0.381 | 40% | 0.398 | S | S | . | . | trans | -64.1 | 154.7 | 168.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E239 Q240 K241 | G237-E239 VanDerWaalsContact C-N 3.27Å; G237-E239 PolarHBondContact O-N 2.81Å; G237-Q240 WeakPolarHBondContact O-CB 3.4Å; G237-Q240 PolarHBondContact O-N 3.23Å; G237-K241 PolarHBondContact O-N 3.29Å | ||
| 238 | E | 95.2 | Very high | 95.1 | Very high | 97 Ų | 97 | 69.6 Ų | 69.6 | 45% | 0.453 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62.5 | -32.9 | -176.7 | 178.7 | 54.4 | -162 | 0 | 0 | 112.3 | Q240 K241 Q242 K245 | E238-Q240 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 3Å; E238-K241 CarbonylContact O-C 3.57Å; E238-K241 PolarHBondContact O-N 2.91Å; E238-Q242 HydrophobicContact CG-CG 4.26Å; E238-Q242 WeakPolarHBondContact O-CB 3.35Å; E238-Q242 VanDerWaalsContact O-CG 3.22Å; E238-Q242 WeakPolarHBondContact O-CG 3.43Å; E238-Q242 PolarHBondContact O-N 2.91Å; E238-Q242 WeakPolarHBondContact OE1-CG 3.4Å; E238-Q242 PolarHBondContact OE1-NE2 2.75Å; E238-K245 IonicContact OE1-NZ 2.62Å; E238-K245 PolarHBondContact OE1-NZ 3.28Å; E238-K245 IonicContact OE2-NZ 2.75Å; E238-K245 PolarHBondContact OE2-NZ 2.95Å |
| 239 | E | 95.4 | Very high | 95 | Very high | 161 Ų | 161 | 70.1 Ų | 70.1 | 75% | 0.752 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -56.4 | -45.9 | 171.2 | -175.4 | -172.4 | -162.8 | 0 | 0 | 112.1 | G237 Q242 V243 | G237-E239 VanDerWaalsContact C-N 3.27Å; G237-E239 PolarHBondContact O-N 2.81Å; E239-Q242 WeakPolarHBondContact O-CB 3.22Å; E239-Q242 PolarHBondContact O-N 3.33Å; E239-V243 WeakPolarHBondContact O-CG2 3.26Å; E239-V243 PolarHBondContact O-N 2.94Å |
| 240 | Q | 94.2 | Very high | 95 | Very high | 98 Ų | 98 | 74 Ų | 74 | 46% | 0.458 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -66.4 | -42.2 | 179.3 | -63.1 | 164.6 | -21.6 | 0 | 0 | 110.4 | L236 G237 E238 Q242 V243 Y244 | L236-Q240 HydrophobicContact CB-CB 4.18Å; L236-Q240 HydrophobicContact CD1-CB 4.34Å; L236-Q240 HydrophobicContact CD2-CB 4.35Å; G237-Q240 WeakPolarHBondContact O-CB 3.4Å; G237-Q240 PolarHBondContact O-N 3.23Å; E238-Q240 VanDerWaalsContact C-N 3.33Å; E238-Q240 PolarHBondContact O-N 3Å; Q240-Q242 VanDerWaalsContact C-N 3.31Å; Q240-Q242 PolarHBondContact O-N 3.48Å; Q240-V243 PolarHBondContact O-N 3.35Å; Q240-Y244 VanDerWaalsContact O-CD2 3.23Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.15Å; Q240-Y244 PolarHBondContact O-N 3.47Å |
| 241 | K | 93.7 | Very high | 94.8 | Very high | 37 Ų | 37 | 74.5 Ų | 74.5 | 16% | 0.161 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -59.7 | -39.7 | 171.8 | -71.3 | 165.1 | 170.9 | 149.3 | 0 | 111.3 | W233 D234 L236 G237 E238 Y244 K245 | W233-K241 HydrophobicContact CH2-CB 4.28Å; W233-K241 HydrophobicContact CH2-CG 4.06Å; W233-K241 HydrophobicContact CZ2-CG 4.07Å; W233-K241 HydrophobicContact CZ3-CG 4.35Å; W233-K241 WeakPolarHBondContact O-CE 3.42Å; W233-K241 PolarHBondContact O-NZ 3.44Å; D234-K241 PolarHBondContact O-NZ 2.77Å; L236-K241 HydrophobicContact CB-CD 4.41Å; L236-K241 HydrophobicContact CB-CG 3.96Å; L236-K241 HydrophobicContact CD1-CG 4.5Å; L236-K241 VanDerWaalsContact O-CE 3.22Å; L236-K241 WeakPolarHBondContact O-CE 3.35Å; L236-K241 PolarHBondContact O-NZ 3.03Å; G237-K241 PolarHBondContact O-N 3.29Å; E238-K241 CarbonylContact O-C 3.57Å; E238-K241 PolarHBondContact O-N 2.91Å; K241-Y244 PolarHBondContact O-N 3.32Å; K241-K245 WeakPolarHBondContact O-CG 3.42Å; K241-K245 PolarHBondContact O-N 3.27Å |
| 242 | Q | 95.5 | Very high | 94.5 | Very high | 93 Ų | 93 | 76.4 Ų | 76.4 | 44% | 0.435 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66 | -37.1 | 175.3 | -72.5 | -69 | -10.1 | 0 | 0 | 113.2 | E238 E239 Q240 Y244 K245 K246 | E238-Q242 HydrophobicContact CG-CG 4.26Å; E238-Q242 WeakPolarHBondContact O-CB 3.35Å; E238-Q242 VanDerWaalsContact O-CG 3.22Å; E238-Q242 WeakPolarHBondContact O-CG 3.43Å; E238-Q242 PolarHBondContact O-N 2.91Å; E238-Q242 WeakPolarHBondContact OE1-CG 3.4Å; E238-Q242 PolarHBondContact OE1-NE2 2.75Å; E239-Q242 WeakPolarHBondContact O-CB 3.22Å; E239-Q242 PolarHBondContact O-N 3.33Å; Q240-Q242 VanDerWaalsContact C-N 3.31Å; Q240-Q242 PolarHBondContact O-N 3.48Å; Q242-Y244 VanDerWaalsContact C-N 3.28Å; Q242-Y244 PolarHBondContact O-N 3.41Å; Q242-K245 HydrophobicContact CG-CD 4.42Å; Q242-K245 PolarHBondContact O-N 2.79Å; Q242-K246 WeakPolarHBondContact O-CB 3.38Å; Q242-K246 PolarHBondContact O-N 2.64Å |
| 243 | V | 95.4 | Very high | 94.4 | Very high | 54 Ų | 54 | 78.5 Ų | 78.5 | 33% | 0.327 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -59.2 | -40.3 | 171 | 172.7 | 0 | 0 | 0 | 0 | 111.1 | M83 E239 Q240 R247 | M83-V243 HydrophobicContact CE-CG1 4.11Å; E239-V243 WeakPolarHBondContact O-CG2 3.26Å; E239-V243 PolarHBondContact O-N 2.94Å; Q240-V243 PolarHBondContact O-N 3.35Å; V243-R247 WeakPolarHBondContact O-CB 2.81Å; V243-R247 WeakPolarHBondContact O-CD 3.47Å; V243-R247 WeakPolarHBondContact O-CG 3.26Å; V243-R247 PolarHBondContact O-N 3.14Å |
| 244 | Y | 94.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 80 Ų | 80 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -71 | -39.7 | 174 | -73.3 | -75.3 | 0 | 0 | 0 | 113 | L204 F205 W233 L236 Q240 K241 Q242 R247 T248 | L204-Y244 HydrophobicContact CD2-CD1 3.71Å; L204-Y244 HydrophobicContact CD2-CE1 3.85Å; F205-Y244 HydrophobicContact CB-CD1 4.06Å; F205-Y244 HydrophobicContact CB-CD2 4.42Å; F205-Y244 HydrophobicContact CB-CE1 4.06Å; F205-Y244 HydrophobicContact CB-CE2 4.42Å; F205-Y244 HydrophobicContact CB-CG 4.27Å; F205-Y244 HydrophobicContact CD2-CD2 4.35Å; F205-Y244 HydrophobicContact CD2-CE1 4.34Å; F205-Y244 AromaticContact CD2-CE2 3.71Å; F205-Y244 HydrophobicContact CD2-CE2 3.71Å; F205-Y244 AromaticContact CD2-CZ 3.71Å; W233-Y244 HydrophobicContact CZ3-CD2 4.06Å; W233-Y244 HydrophobicContact CZ3-CG 4.17Å; L236-Y244 HydrophobicContact CD1-CD2 4.31Å; L236-Y244 HydrophobicContact CD1-CE2 4.24Å; Q240-Y244 VanDerWaalsContact O-CD2 3.23Å; Q240-Y244 WeakPolarHBondContact O-CD2 3.15Å; Q240-Y244 PolarHBondContact O-N 3.47Å; K241-Y244 PolarHBondContact O-N 3.32Å; Q242-Y244 VanDerWaalsContact C-N 3.28Å; Q242-Y244 PolarHBondContact O-N 3.41Å; Y244-R247 PolarHBondContact O-N 2.9Å; Y244-T248 PolarHBondContact O-N 3.44Å |
| 245 | K | 93.9 | Very high | 94.1 | Very high | 86 Ų | 86 | 76.4 Ų | 76.4 | 37% | 0.374 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.7 | -52.9 | 172.9 | -68.8 | 166.7 | -174.6 | 175.1 | 0 | 111 | A201 E238 K241 Q242 R247 T248 E249 | A201-K245 HydrophobicContact CB-CG 4.17Å; E238-K245 IonicContact OE1-NZ 2.62Å; E238-K245 PolarHBondContact OE1-NZ 3.28Å; E238-K245 IonicContact OE2-NZ 2.75Å; E238-K245 PolarHBondContact OE2-NZ 2.95Å; K241-K245 WeakPolarHBondContact O-CG 3.42Å; K241-K245 PolarHBondContact O-N 3.27Å; Q242-K245 HydrophobicContact CG-CD 4.42Å; Q242-K245 PolarHBondContact O-N 2.79Å; K245-R247 VanDerWaalsContact C-N 3.34Å; K245-R247 PolarHBondContact O-N 3.23Å; K245-T248 PolarHBondContact O-N 2.73Å; K245-E249 WeakPolarHBondContact O-CB 3.47Å; K245-E249 PolarHBondContact O-N 2.94Å |
| 246 | K | 95.4 | Very high | 93.9 | Very high | 146 Ų | 146 | 77.8 Ų | 77.8 | 64% | 0.635 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -62.1 | -35.7 | 178.7 | -169.7 | 170.9 | -175.4 | 172.2 | 0 | 113 | Q242 T250 | Q242-K246 WeakPolarHBondContact O-CB 3.38Å; Q242-K246 PolarHBondContact O-N 2.64Å; K246-T250 WeakPolarHBondContact O-CB 3.26Å; K246-T250 PolarHBondContact O-N 3.34Å; K246-T250 PolarHBondContact O-OG1 3.39Å |
| 247 | R | 91.8 | Very high | 93.8 | Very high | 66 Ų | 66 | 82.1 Ų | 82.1 | 25% | 0.249 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 172.9 | -80.4 | 170.7 | 170.9 | -170.7 | -4.3 | 112.3 | M83 V243 Y244 K245 E249 T250 A251 | M83-R247 PolarHBondContact SD-NH2 2.89Å; V243-R247 WeakPolarHBondContact O-CB 2.81Å; V243-R247 WeakPolarHBondContact O-CD 3.47Å; V243-R247 WeakPolarHBondContact O-CG 3.26Å; V243-R247 PolarHBondContact O-N 3.14Å; Y244-R247 PolarHBondContact O-N 2.9Å; K245-R247 VanDerWaalsContact C-N 3.34Å; K245-R247 PolarHBondContact O-N 3.23Å; R247-E249 VanDerWaalsContact C-N 3.34Å; R247-T250 PolarHBondContact O-N 2.73Å; R247-A251 WeakPolarHBondContact O-CB 3.4Å; R247-A251 PolarHBondContact O-N 2.64Å |
| 248 | T | 93.6 | Very high | 93.5 | Very high | 25 Ų | 25 | 84.6 Ų | 84.6 | 15% | 0.153 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 175.5 | -79.1 | 0 | 0 | 0 | 0 | 111.7 | V199 S200 A201 Y244 K245 A251 K252 | V199-T248 VanDerWaalsContact O-CG2 3.25Å; V199-T248 WeakPolarHBondContact O-CG2 3.38Å; V199-T248 PolarHBondContact O-OG1 2.86Å; S200-T248 VanDerWaalsContact C-OG1 3.31Å; A201-T248 WeakPolarHBondContact CA-OG1 3.42Å; A201-T248 PolarHBondContact N-OG1 2.7Å; Y244-T248 PolarHBondContact O-N 3.44Å; K245-T248 PolarHBondContact O-N 2.73Å; T248-A251 PolarHBondContact O-N 2.9Å; T248-K252 WeakPolarHBondContact O-CB 3.44Å; T248-K252 PolarHBondContact O-N 3.1Å |
| 249 | E | 94.4 | Very high | 93.3 | Very high | 90 Ų | 90 | 81.3 Ų | 81.3 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64 | -44.6 | 176.6 | -162.6 | -139.2 | 156.6 | 0 | 0 | 112 | K245 R247 A251 K252 K253 | K245-E249 WeakPolarHBondContact O-CB 3.47Å; K245-E249 PolarHBondContact O-N 2.94Å; R247-E249 VanDerWaalsContact C-N 3.34Å; E249-A251 VanDerWaalsContact C-N 3.35Å; E249-A251 PolarHBondContact O-N 3.37Å; E249-K252 WeakPolarHBondContact O-CB 3.35Å; E249-K252 PolarHBondContact O-N 3.46Å; E249-K252 VanDerWaalsContact O-N 3.14Å; E249-K253 PolarHBondContact O-N 2.82Å; E249-K253 WeakPolarHBondContact OE1-CE 3.46Å; E249-K253 IonicContact OE1-NZ 2.64Å; E249-K253 PolarHBondContact OE1-NZ 3.22Å |
| 250 | T | 94.2 | Very high | 93 | Very high | 82 Ų | 82 | 76.5 Ų | 76.5 | 50% | 0.503 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 174.2 | -55.3 | 0 | 0 | 0 | 0 | 111 | K246 R247 K252 K253 E254 | K246-T250 WeakPolarHBondContact O-CB 3.26Å; K246-T250 PolarHBondContact O-N 3.34Å; K246-T250 PolarHBondContact O-OG1 3.39Å; R247-T250 PolarHBondContact O-N 2.73Å; T250-K252 VanDerWaalsContact C-N 3.3Å; T250-K252 PolarHBondContact O-N 2.84Å; T250-K253 PolarHBondContact O-N 3.42Å; T250-E254 WeakPolarHBondContact O-CB 3.37Å; T250-E254 PolarHBondContact O-N 2.87Å |
| 251 | A | 92.4 | Very high | 92.7 | Very high | 39 Ų | 39 | 74.8 Ų | 74.8 | 32% | 0.322 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -64.7 | -31.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P198 R247 T248 E249 Y255 | P198-A251 HydrophobicContact CB-CB 4.14Å; R247-A251 WeakPolarHBondContact O-CB 3.4Å; R247-A251 PolarHBondContact O-N 2.64Å; T248-A251 PolarHBondContact O-N 2.9Å; E249-A251 VanDerWaalsContact C-N 3.35Å; E249-A251 PolarHBondContact O-N 3.37Å; A251-Y255 VanDerWaalsContact O-CB 3.25Å; A251-Y255 WeakPolarHBondContact O-CB 3.25Å; A251-Y255 PolarHBondContact O-N 2.87Å |
| 252 | K | 91.6 | Very high | 92.5 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 54% | 0.543 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.2 | -44 | 173.6 | -174.4 | -176.6 | 178.5 | -174.5 | 0 | 111.8 | P198 T248 E249 T250 Y255 L256 | P198-K252 HydrophobicContact CB-CB 4.46Å; P198-K252 HydrophobicContact CG-CB 3.96Å; P198-K252 HydrophobicContact CG-CG 4.26Å; T248-K252 WeakPolarHBondContact O-CB 3.44Å; T248-K252 PolarHBondContact O-N 3.1Å; E249-K252 WeakPolarHBondContact O-CB 3.35Å; E249-K252 PolarHBondContact O-N 3.46Å; E249-K252 VanDerWaalsContact O-N 3.14Å; T250-K252 VanDerWaalsContact C-N 3.3Å; T250-K252 PolarHBondContact O-N 2.84Å; K252-Y255 PolarHBondContact O-N 3.25Å; K252-L256 WeakPolarHBondContact O-CG 3.39Å; K252-L256 PolarHBondContact O-N 3.2Å; K252-L256 VanDerWaalsContact O-N 3.1Å |
| 253 | K | 93.1 | Very high | 92.1 | Very high | 134 Ų | 134 | 79.5 Ų | 79.5 | 58% | 0.583 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 173.6 | -76 | 169.5 | 165.7 | 168.8 | 0 | 111.1 | E249 T250 L256 K257 | E249-K253 PolarHBondContact O-N 2.82Å; E249-K253 WeakPolarHBondContact OE1-CE 3.46Å; E249-K253 IonicContact OE1-NZ 2.64Å; E249-K253 PolarHBondContact OE1-NZ 3.22Å; T250-K253 PolarHBondContact O-N 3.42Å; K253-L256 PolarHBondContact O-N 3.45Å; K253-K257 PolarHBondContact O-N 2.9Å |
| 254 | E | 92.1 | Very high | 91.7 | Very high | 70 Ų | 70 | 79.9 Ų | 79.9 | 33% | 0.327 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -65.2 | -44 | 177 | -175.3 | 58.1 | -154.8 | 0 | 0 | 112.8 | T250 L256 K257 Q258 | T250-E254 WeakPolarHBondContact O-CB 3.37Å; T250-E254 PolarHBondContact O-N 2.87Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 2.97Å; E254-K257 WeakPolarHBondContact O-CB 3.25Å; E254-K257 PolarHBondContact O-N 3.4Å; E254-K257 VanDerWaalsContact OE1-CE 3.26Å; E254-K257 WeakPolarHBondContact OE1-CE 3.37Å; E254-K257 IonicContact OE1-NZ 2.64Å; E254-K257 PolarHBondContact OE1-NZ 2.62Å; E254-K257 WeakPolarHBondContact OE2-CE 3.45Å; E254-K257 IonicContact OE2-NZ 3.96Å; E254-K257 PolarHBondContact OE2-NZ 3.04Å; E254-Q258 HydrophobicContact CG-CG 4.45Å; E254-Q258 WeakPolarHBondContact O-CG 3.3Å; E254-Q258 PolarHBondContact O-N 2.85Å; E254-Q258 PolarHBondContact OE1-NE2 3.19Å |
| 255 | Y | 92.3 | Very high | 91.1 | Very high | 33 Ų | 33 | 81 Ų | 81 | 13% | 0.129 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -56.9 | -42.5 | 175.2 | 163.5 | -90.3 | 0 | 0 | 0 | 112.2 | P195 V196 K197 A251 K252 Q258 L259 | P195-Y255 HydrophobicContact CB-CD2 4.09Å; P195-Y255 HydrophobicContact CB-CE2 4.37Å; P195-Y255 HydrophobicContact CG-CE2 4.43Å; P195-Y255 VanDerWaalsContact O-CE2 3.26Å; P195-Y255 WeakPolarHBondContact O-CE2 3.36Å; V196-Y255 WeakPolarHBondContact O-CD2 3.32Å; K197-Y255 HydrophobicContact CB-CE2 4.28Å; K197-Y255 HydrophobicContact CG-CE2 3.75Å; A251-Y255 VanDerWaalsContact O-CB 3.25Å; A251-Y255 WeakPolarHBondContact O-CB 3.25Å; A251-Y255 PolarHBondContact O-N 2.87Å; K252-Y255 PolarHBondContact O-N 3.25Å; Y255-Q258 PolarHBondContact O-N 3.47Å; Y255-L259 HydrophobicContact CE1-CD2 4.07Å; Y255-L259 VanDerWaalsContact O-CB 3.28Å; Y255-L259 WeakPolarHBondContact O-CB 3.28Å; Y255-L259 PolarHBondContact O-N 3.39Å |
| 256 | L | 91.7 | Very high | 90.6 | Very high | 98 Ų | 98 | 81 Ų | 81 | 51% | 0.513 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 178.5 | -70.7 | 170.8 | 0 | 0 | 0 | 111.7 | K252 K253 E254 L259 A260 | K252-L256 WeakPolarHBondContact O-CG 3.39Å; K252-L256 PolarHBondContact O-N 3.2Å; K252-L256 VanDerWaalsContact O-N 3.1Å; K253-L256 PolarHBondContact O-N 3.45Å; E254-L256 VanDerWaalsContact C-N 3.32Å; E254-L256 PolarHBondContact O-N 2.97Å; L256-L259 PolarHBondContact O-N 2.62Å; L256-A260 PolarHBondContact O-N 3.14Å |
| 257 | K | 92.6 | Very high | 89.7 | Confident | 123 Ų | 123 | 78.8 Ų | 78.8 | 54% | 0.535 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.2 | -45.4 | 174.6 | -168.2 | -163.7 | 76.8 | -163.3 | 0 | 111.6 | K253 E254 A260 A261 | K253-K257 PolarHBondContact O-N 2.9Å; E254-K257 WeakPolarHBondContact O-CB 3.25Å; E254-K257 PolarHBondContact O-N 3.4Å; E254-K257 VanDerWaalsContact OE1-CE 3.26Å; E254-K257 WeakPolarHBondContact OE1-CE 3.37Å; E254-K257 IonicContact OE1-NZ 2.64Å; E254-K257 PolarHBondContact OE1-NZ 2.62Å; E254-K257 WeakPolarHBondContact OE2-CE 3.45Å; E254-K257 IonicContact OE2-NZ 3.96Å; E254-K257 PolarHBondContact OE2-NZ 3.04Å; K257-A260 PolarHBondContact O-N 3.42Å; K257-A261 PolarHBondContact O-N 3.04Å |
| 258 | Q | 90.5 | Very high | 88.9 | Confident | 89 Ų | 89 | 79.1 Ų | 79.1 | 42% | 0.416 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -66.8 | -36.9 | 177.2 | -69.3 | 179.1 | 8.4 | 0 | 0 | 112.2 | P195 E254 Y255 A261 Y262 | P195-Q258 HydrophobicContact CB-CB 3.9Å; P195-Q258 HydrophobicContact CG-CB 4.35Å; E254-Q258 HydrophobicContact CG-CG 4.45Å; E254-Q258 WeakPolarHBondContact O-CG 3.3Å; E254-Q258 PolarHBondContact O-N 2.85Å; E254-Q258 PolarHBondContact OE1-NE2 3.19Å; Y255-Q258 PolarHBondContact O-N 3.47Å; Q258-A261 PolarHBondContact O-N 2.74Å; Q258-Y262 VanDerWaalsContact O-CB 3.25Å; Q258-Y262 WeakPolarHBondContact O-CB 3.25Å; Q258-Y262 PolarHBondContact O-N 3.22Å |
| 259 | L | 89.9 | Confident | 87.5 | Confident | 28 Ų | 28 | 84.3 Ų | 84.3 | 15% | 0.147 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.6 | -37.7 | 175.5 | -178 | 63.2 | 0 | 0 | 0 | 112.2 | P195 Y255 L256 R263 | P195-L259 HydrophobicContact CG-CB 4.12Å; P195-L259 HydrophobicContact CG-CD1 4.24Å; Y255-L259 HydrophobicContact CE1-CD2 4.07Å; Y255-L259 VanDerWaalsContact O-CB 3.28Å; Y255-L259 WeakPolarHBondContact O-CB 3.28Å; Y255-L259 PolarHBondContact O-N 3.39Å; L256-L259 PolarHBondContact O-N 2.62Å; L259-R263 WeakPolarHBondContact O-CB 3.47Å; L259-R263 VanDerWaalsContact O-CG 3.25Å; L259-R263 WeakPolarHBondContact O-CG 3.1Å; L259-R263 PolarHBondContact O-N 3.47Å |
| 260 | A | 89.4 | Confident | 85.9 | Confident | 59 Ų | 59 | 84.3 Ų | 84.3 | 49% | 0.488 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.7 | -47.9 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L256 K257 Y262 R263 A264 | L256-A260 PolarHBondContact O-N 3.14Å; K257-A260 PolarHBondContact O-N 3.42Å; A260-Y262 PolarHBondContact O-N 3.41Å; A260-R263 PolarHBondContact O-N 3.29Å; A260-A264 PolarHBondContact O-N 3.17Å |
| 261 | A | 89.1 | Confident | 84 | Confident | 63 Ų | 63 | 90.6 Ų | 90.6 | 52% | 0.521 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.5 | -41.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | K257 Q258 A264 S265 | K257-A261 PolarHBondContact O-N 3.04Å; Q258-A261 PolarHBondContact O-N 2.74Å; A261-A264 PolarHBondContact O-N 3.38Å; A261-S265 WeakPolarHBondContact O-CB 3.49Å; A261-S265 PolarHBondContact O-N 3.04Å |
| 262 | Y | 88.3 | Confident | 81.8 | Confident | 66 Ų | 66 | 92 Ų | 92 | 26% | 0.259 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62.5 | -46.9 | 176.2 | -178.7 | -117.3 | 0 | 0 | 0 | 111.5 | N193 Q258 A260 A264 S265 L266 | N193-Y262 HydrophobicContact CB-CE2 4.14Å; Q258-Y262 VanDerWaalsContact O-CB 3.25Å; Q258-Y262 WeakPolarHBondContact O-CB 3.25Å; Q258-Y262 PolarHBondContact O-N 3.22Å; A260-Y262 PolarHBondContact O-N 3.41Å; Y262-A264 PolarHBondContact O-N 2.98Å; Y262-S265 WeakPolarHBondContact CA-OG 3.15Å; Y262-S265 PolarHBondContact O-N 3.39Å; Y262-S265 VanDerWaalsContact O-N 3.17Å; Y262-S265 PolarHBondContact O-OG 3.42Å; Y262-L266 HydrophobicContact CD1-CD1 4.12Å; Y262-L266 HydrophobicContact CE1-CD1 3.67Å; Y262-L266 HydrophobicContact CE1-CG 4.37Å; Y262-L266 HydrophobicContact CE2-CD1 4.45Å; Y262-L266 HydrophobicContact CE2-CD2 4.31Å; Y262-L266 HydrophobicContact CE2-CG 4.3Å; Y262-L266 WeakPolarHBondContact O-CG 3.44Å; Y262-L266 PolarHBondContact O-N 2.88Å |
| 263 | R | 87.2 | Confident | 79.4 | Confident | 163 Ų | 163 | 91.7 Ų | 91.7 | 62% | 0.615 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -58.2 | -46 | 174.6 | -75 | 169 | 173.8 | -172 | -4.5 | 112.3 | L259 A260 S265 L266 V267 | L259-R263 WeakPolarHBondContact O-CB 3.47Å; L259-R263 VanDerWaalsContact O-CG 3.25Å; L259-R263 WeakPolarHBondContact O-CG 3.1Å; L259-R263 PolarHBondContact O-N 3.47Å; A260-R263 PolarHBondContact O-N 3.29Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 2.99Å; R263-L266 PolarHBondContact O-N 3.38Å; R263-V267 PolarHBondContact O-N 3.21Å |
| 264 | A | 86.6 | Confident | 77.5 | Confident | 61 Ų | 61 | 90.9 Ų | 90.9 | 50% | 0.504 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.3 | -43.4 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | A260 A261 Y262 L266 V267 S268 | A260-A264 PolarHBondContact O-N 3.17Å; A261-A264 PolarHBondContact O-N 3.38Å; Y262-A264 PolarHBondContact O-N 2.98Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-L266 PolarHBondContact O-N 3.46Å; A264-V267 PolarHBondContact O-N 3.33Å; A264-S268 PolarHBondContact O-N 3.35Å; A264-S268 PolarHBondContact O-OG 3.27Å |
| 265 | S | 83.9 | Confident | 75.6 | Confident | 55 Ų | 55 | 92 Ų | 92 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.7 | -37.7 | 178.7 | 74.9 | 0 | 0 | 0 | 0 | 113.1 | A261 Y262 R263 S268 Q269 | A261-S265 WeakPolarHBondContact O-CB 3.49Å; A261-S265 PolarHBondContact O-N 3.04Å; Y262-S265 WeakPolarHBondContact CA-OG 3.15Å; Y262-S265 PolarHBondContact O-N 3.39Å; Y262-S265 VanDerWaalsContact O-N 3.17Å; Y262-S265 PolarHBondContact O-OG 3.42Å; R263-S265 VanDerWaalsContact C-N 3.33Å; R263-S265 PolarHBondContact O-N 2.99Å; S265-S268 WeakPolarHBondContact CA-OG 3.31Å; S265-S268 PolarHBondContact O-N 2.68Å; S265-S268 PolarHBondContact O-OG 3.28Å; S265-Q269 VanDerWaalsContact O-CB 3.26Å; S265-Q269 WeakPolarHBondContact O-CB 3.48Å; S265-Q269 PolarHBondContact O-N 3Å |
| 266 | L | 82.4 | Confident | 73.5 | Confident | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.1 | -40.4 | 175.4 | -71.5 | 175.4 | 0 | 0 | 0 | 112 | Y262 R263 A264 Q269 S270 | Y262-L266 HydrophobicContact CD1-CD1 4.12Å; Y262-L266 HydrophobicContact CE1-CD1 3.67Å; Y262-L266 HydrophobicContact CE1-CG 4.37Å; Y262-L266 HydrophobicContact CE2-CD1 4.45Å; Y262-L266 HydrophobicContact CE2-CD2 4.31Å; Y262-L266 HydrophobicContact CE2-CG 4.3Å; Y262-L266 WeakPolarHBondContact O-CG 3.44Å; Y262-L266 PolarHBondContact O-N 2.88Å; R263-L266 PolarHBondContact O-N 3.38Å; A264-L266 VanDerWaalsContact C-N 3.35Å; A264-L266 PolarHBondContact O-N 3.46Å; L266-Q269 PolarHBondContact O-N 2.91Å; L266-S270 PolarHBondContact O-N 3.48Å |
| 267 | V | 76.2 | Confident | 71.6 | Confident | 99 Ų | 99 | 102.8 Ų | 102.8 | 60% | 0.6 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -63.9 | -47.3 | 175.7 | 175.5 | 0 | 0 | 0 | 0 | 110.5 | R263 A264 Q269 S270 | R263-V267 PolarHBondContact O-N 3.21Å; A264-V267 PolarHBondContact O-N 3.33Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.14Å; V267-S270 PolarHBondContact O-N 2.87Å; V267-S270 PolarHBondContact O-OG 3.16Å |
| 268 | S | 74.6 | Confident | 69.4 | Low | 72 Ų | 72 | 105.5 Ų | 105.5 | 50% | 0.503 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -63.5 | -37.8 | 175.7 | 51.1 | 0 | 0 | 0 | 0 | 112.9 | A264 S265 S270 Y271 | A264-S268 PolarHBondContact O-N 3.35Å; A264-S268 PolarHBondContact O-OG 3.27Å; S265-S268 WeakPolarHBondContact CA-OG 3.31Å; S265-S268 PolarHBondContact O-N 2.68Å; S265-S268 PolarHBondContact O-OG 3.28Å; S268-S270 VanDerWaalsContact C-N 3.3Å; S268-S270 PolarHBondContact O-N 3Å; S268-Y271 PolarHBondContact O-N 3.26Å; S268-Y271 VanDerWaalsContact O-N 3.14Å |
| 269 | Q | 66 | Low | 67 | Low | 134 Ų | 134 | 104.2 Ų | 104.2 | 63% | 0.626 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.3 | -36.9 | 178.2 | -167.5 | 67.7 | 49.1 | 0 | 0 | 111.5 | S265 L266 V267 Y271 S272 | S265-Q269 VanDerWaalsContact O-CB 3.26Å; S265-Q269 WeakPolarHBondContact O-CB 3.48Å; S265-Q269 PolarHBondContact O-N 3Å; L266-Q269 PolarHBondContact O-N 2.91Å; V267-Q269 VanDerWaalsContact C-N 3.33Å; V267-Q269 PolarHBondContact O-N 3.14Å; Q269-Y271 PolarHBondContact O-N 2.71Å; Q269-S272 PolarHBondContact O-N 2.94Å; Q269-S272 PolarHBondContact O-OG 3.36Å |
| 270 | S | 60 | Low | 64.9 | Low | 90 Ų | 90 | 109 Ų | 109 | 63% | 0.629 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -67.2 | -14.4 | 176.4 | 73.9 | 0 | 0 | 0 | 0 | 114.5 | L266 V267 S268 | L266-S270 PolarHBondContact O-N 3.48Å; V267-S270 PolarHBondContact O-N 2.87Å; V267-S270 PolarHBondContact O-OG 3.16Å; S268-S270 VanDerWaalsContact C-N 3.3Å; S268-S270 PolarHBondContact O-N 3Å |
| 271 | Y | 54.5 | Low | 62.8 | Low | 214 Ų | 214 | 114.7 Ų | 114.7 | 84% | 0.839 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.4 | -0.6 | 177.2 | -127.1 | -91.9 | 0 | 0 | 0 | 113.4 | S268 Q269 | S268-Y271 PolarHBondContact O-N 3.26Å; S268-Y271 VanDerWaalsContact O-N 3.14Å; Q269-Y271 PolarHBondContact O-N 2.71Å |
| 272 | S | 46.6 | Very low | 60.4 | Low | 69 Ų | 69 | 117.3 Ų | 117.3 | 48% | 0.483 | 64% | 0.64 | S | S | . | * | S | Bend | trans | -113.8 | 20.6 | -173.5 | 59 | 0 | 0 | 0 | 0 | 114.8 | Q269 P274 | Q269-S272 PolarHBondContact O-N 2.94Å; Q269-S272 PolarHBondContact O-OG 3.36Å; S272-P274 VanDerWaalsContact C-CD 3.49Å; S272-P274 VanDerWaalsContact O-CD 3.3Å; S272-P274 WeakPolarHBondContact O-CD 3.25Å |
| 273 | D | 39.8 | Very low | 58.1 | Low | 119 Ų | 119 | 119.3 Ų | 119.3 | 64% | 0.636 | 67% | 0.67 | S | S | * | * | trans | -113.8 | 83.6 | 171.6 | -171.3 | 8.3 | 0 | 0 | 0 | 112.1 | S275 | D273-S275 PolarHBondContact O-N 3.07Å; D273-S275 WeakPolarHBondContact OD1-CB 3.33Å; D273-S275 PolarHBondContact OD1-OG 3.32Å | ||
| 274 | P | 52.8 | Low | 55.8 | Low | 116 Ų | 116 | 116.5 Ų | 116.5 | 75% | 0.753 | 68% | 0.675 | S | S | * | * | trans | -82.3 | 56.8 | 177.3 | 35.7 | -36.8 | 0 | 0 | 0 | 112.1 | S272 | S272-P274 VanDerWaalsContact C-CD 3.49Å; S272-P274 VanDerWaalsContact O-CD 3.3Å; S272-P274 WeakPolarHBondContact O-CD 3.25Å | ||
| 275 | S | 53.3 | Low | 53.7 | Low | 93 Ų | 93 | 122 Ų | 122 | 65% | 0.65 | 70% | 0.696 | S | S | * | * | trans | -119.8 | 14.9 | -171.1 | -51.6 | 0 | 0 | 0 | 0 | 116.9 | D273 | D273-S275 PolarHBondContact O-N 3.07Å; D273-S275 WeakPolarHBondContact OD1-CB 3.33Å; D273-S275 PolarHBondContact OD1-OG 3.32Å | ||
| 276 | E | 48.2 | Very low | 51.5 | Low | 176 Ų | 176 | 125 Ų | 125 | 82% | 0.822 | 72% | 0.717 | S | S | * | * | trans | -140 | 66.6 | 166.6 | -153.5 | 169.6 | -178.3 | 0 | 0 | 115.4 | K278 | E276-K278 HydrophobicContact CG-CB 4.38Š| ||
| 277 | M | 51.5 | Low | 49.6 | Very low | 183 Ų | 183 | 126 Ų | 126 | 90% | 0.901 | 73% | 0.732 | S | S | * | * | trans | -99.6 | 62.1 | 156.3 | 54.9 | 178 | 168.8 | 0 | 0 | 111 | A279 | M277-A279 PolarHBondContact O-N 3.41Š| ||
| 278 | K | 45.6 | Very low | 48.3 | Very low | 180 Ų | 180 | 126.6 Ų | 126.6 | 78% | 0.783 | 74% | 0.738 | S | S | * | * | trans | -81.8 | 100.6 | 177.8 | -172 | 165.9 | -175.7 | 172.4 | 0 | 110.9 | E276 | E276-K278 HydrophobicContact CG-CB 4.38Š| ||
| 279 | A | 40.7 | Very low | 46.5 | Very low | 62 Ų | 62 | 128.3 Ų | 128.3 | 51% | 0.512 | 75% | 0.75 | S | S | . | * | trans | -58.4 | 143.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | M277 H281 | M277-A279 PolarHBondContact O-N 3.41Å; A279-H281 PolarHBondContact O-N 3.32Å | ||
| 280 | P | 45.5 | Very low | 46.1 | Very low | 128 Ų | 128 | 127.4 Ų | 127.4 | 83% | 0.831 | 76% | 0.756 | S | S | * | * | trans | -76.3 | 112 | -178.1 | 30.2 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 281 | H | 46.7 | Very low | 45.1 | Very low | 179 Ų | 179 | 130.5 Ų | 130.5 | 83% | 0.829 | 77% | 0.771 | S | S | * | * | trans | -106.6 | 132 | 166.9 | -76.4 | -80.1 | 0 | 0 | 0 | 110.6 | A279 | A279-H281 PolarHBondContact O-N 3.32Š| ||
| 282 | S | 38.1 | Very low | 44.3 | Very low | 117 Ų | 117 | 125 Ų | 125 | 82% | 0.818 | 76% | 0.763 | S | S | * | * | trans | -64.5 | 138.4 | -163.1 | -49.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 283 | A | 40.9 | Very low | 43.9 | Very low | 108 Ų | 108 | 129.5 Ų | 129.5 | 89% | 0.893 | 78% | 0.779 | S | S | * | * | trans | -91.1 | 104.3 | 161.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 284 | S | 38.5 | Very low | 43.9 | Very low | 104 Ų | 104 | 132.9 Ų | 132.9 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | trans | -131.3 | 83.3 | 172.5 | 59.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 285 | N | 41.5 | Very low | 43.6 | Very low | 176 Ų | 176 | 133 Ų | 133 | 94% | 0.941 | 79% | 0.787 | S | S | * | * | trans | -110.9 | 95.3 | -175.7 | -144.9 | 38.8 | 0 | 0 | 0 | 109.7 | ||||
| 286 | S | 38.7 | Very low | 43.3 | Very low | 118 Ų | 118 | 134.3 Ų | 134.3 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | trans | -148.4 | 136.8 | 172.9 | 52.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 287 | S | 41.2 | Very low | 42.7 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -164.4 | 138.1 | -178.1 | -166.5 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 288 | P | 50.2 | Low | 42.9 | Very low | 111 Ų | 111 | 132.1 Ų | 132.1 | 72% | 0.721 | 79% | 0.788 | S | S | * | * | -150.9 | 146.3 | 75 | 38.1 | -18.6 | 0 | 0 | 0 | 117.9 | |||||
| 289 | S | 35.9 | Very low | 42.3 | Very low | 108 Ų | 108 | 129.2 Ų | 129.2 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 56.9 | 170 | 133.9 | -57.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 290 | P | 58 | Low | 42.2 | Very low | 115 Ų | 115 | 131.8 Ų | 131.8 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | -130.8 | 172 | -48.7 | 38.1 | -24.5 | 0 | 0 | 0 | 112.5 | ||||
| 291 | T | 38.8 | Very low | 41.9 | Very low | 154 Ų | 154 | 136.4 Ų | 136.4 | 95% | 0.945 | 80% | 0.802 | S | S | * | * | trans | -163.5 | 157.5 | 148.7 | -83.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 292 | S | 38.3 | Very low | 42.1 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | -102.9 | 170.9 | -160.8 | -166.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 293 | M | 37.3 | Very low | 41.9 | Very low | 164 Ų | 164 | 130.6 Ų | 130.6 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | 67.1 | 126.6 | 165.8 | -48.1 | -163.6 | -70.2 | 0 | 0 | 116.3 | ||||
| 294 | F | 41.2 | Very low | 41.9 | Very low | 191 Ų | 191 | 133.8 Ų | 133.8 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | -157.5 | 168.7 | 64.9 | -144.9 | -107.6 | 0 | 0 | 0 | 112.6 | |||||
| 295 | T | 45.1 | Very low | 42.6 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 72% | 0.724 | 79% | 0.79 | S | S | * | * | trans | -127.8 | 154.8 | 166 | 67.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 296 | P | 46.6 | Very low | 42.3 | Very low | 121 Ų | 121 | 129.3 Ų | 129.3 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -144.3 | 162.8 | 102.2 | 37.3 | -22.7 | 0 | 0 | 0 | 115.6 | |||||
| 297 | K | 35.7 | Very low | 43 | Very low | 196 Ų | 196 | 129.4 Ų | 129.4 | 85% | 0.852 | 77% | 0.773 | S | S | * | * | trans | -90.8 | -168.2 | 161.2 | -53.4 | 176.7 | 173.3 | 175.3 | 0 | 108.7 | ||||
| 298 | P | 57.4 | Low | 42.8 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | cis | -131.5 | 179.8 | -15.5 | 34.2 | -15 | 0 | 0 | 0 | 114 | ||||
| 299 | S | 31.7 | Very low | 42.1 | Very low | 120 Ų | 120 | 131.5 Ų | 131.5 | 84% | 0.839 | 78% | 0.777 | S | S | * | * | -156.1 | 153.4 | 126.4 | -162.9 | 0 | 0 | 0 | 0 | 111 | |||||
| 300 | V | 38.7 | Very low | 42.3 | Very low | 116 Ų | 116 | 132 Ų | 132 | 70% | 0.703 | 78% | 0.78 | S | S | * | * | trans | -151.9 | 134.1 | -175.8 | 169.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 301 | Y | 40.4 | Very low | 42.2 | Very low | 225 Ų | 225 | 131.9 Ų | 131.9 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -167.8 | 144.6 | 136.9 | -118.1 | -79.3 | 0 | 0 | 0 | 111.7 | ||||
| 302 | P | 50.5 | Low | 42 | Very low | 105 Ų | 105 | 129.9 Ų | 129.9 | 68% | 0.682 | 77% | 0.772 | S | S | * | * | trans | -100.9 | 160.9 | 174.8 | 8 | 13.8 | 0 | 0 | 0 | 113.4 | ||||
| 303 | G | 33 | Very low | 41.8 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 78% | 0.777 | S | S | * | * | trans | -158.7 | 162.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 304 | H | 41.3 | Very low | 41.9 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.806 | 78% | 0.78 | S | S | * | * | trans | -151 | 171.8 | -167 | 22 | -105.7 | 0 | 0 | 0 | 109.5 | ||||
| 305 | P | 54 | Low | 41.8 | Very low | 126 Ų | 126 | 126.4 Ų | 126.4 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | cis | -128.4 | -162.1 | 4 | 38 | -17.4 | 0 | 0 | 0 | 114.3 | ||||
| 306 | G | 34.3 | Very low | 41.3 | Very low | 61 Ų | 61 | 126.1 Ų | 126.1 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -80.3 | -149.7 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 307 | P | 53.7 | Low | 41.1 | Very low | 120 Ų | 120 | 128.6 Ų | 128.6 | 78% | 0.779 | 78% | 0.777 | S | S | * | * | cis | -87.8 | -143.1 | 11.9 | 36.4 | -35 | 0 | 0 | 0 | 113.7 | ||||
| 308 | H | 37.6 | Very low | 42.2 | Very low | 167 Ų | 167 | 124 Ų | 124 | 77% | 0.773 | 77% | 0.767 | S | S | * | * | cis | -161.7 | 164.4 | 15.3 | 33.7 | -112.6 | 0 | 0 | 0 | 115.7 | ||||
| 309 | A | 35.5 | Very low | 41.2 | Very low | 97 Ų | 97 | 126.8 Ų | 126.8 | 80% | 0.802 | 77% | 0.769 | S | S | * | * | trans | 60.8 | 123.6 | 159.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 310 | S | 38.2 | Very low | 41.5 | Very low | 118 Ų | 118 | 126.9 Ų | 126.9 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -114.9 | -165.4 | 164.8 | -44.5 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 311 | P | 56 | Low | 41.5 | Very low | 113 Ų | 113 | 129.3 Ų | 129.3 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | cis | -137.7 | 178 | -5.1 | 43.2 | -26.4 | 0 | 0 | 0 | 115.5 | ||||
| 312 | S | 34.8 | Very low | 42 | Very low | 113 Ų | 113 | 124.7 Ų | 124.7 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | 162.8 | 138.6 | 133.3 | -73.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 313 | S | 35.8 | Very low | 41.2 | Very low | 113 Ų | 113 | 123.4 Ų | 123.4 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | cis | -167.4 | 145.5 | -20.9 | 42.8 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 314 | I | 39.3 | Very low | 41.5 | Very low | 167 Ų | 167 | 129 Ų | 129 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -122.2 | 132.1 | -169.9 | -70.1 | 175 | 0 | 0 | 0 | 112.7 | ||||
| 315 | S | 39.2 | Very low | 41.3 | Very low | 99 Ų | 99 | 123.8 Ų | 123.8 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | 61.1 | 132.4 | 155.4 | -164.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 316 | S | 34.2 | Very low | 41.1 | Very low | 113 Ų | 113 | 124.2 Ų | 124.2 | 79% | 0.79 | 79% | 0.79 | S | S | * | * | trans | -159.3 | 149.7 | 144 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 317 | H | 41 | Very low | 41.4 | Very low | 173 Ų | 173 | 129.1 Ų | 129.1 | 80% | 0.801 | 80% | 0.796 | S | S | * | * | trans | -126.5 | -172.4 | 169.3 | -55.4 | -76.8 | 0 | 0 | 0 | 107.5 | ||||
| 318 | P | 59.8 | Low | 41 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 64% | 0.643 | 80% | 0.8 | S | S | * | * | cis | -131.8 | -166.7 | -29.9 | 17.8 | 8.6 | 0 | 0 | 0 | 113.2 | ||||
| 319 | H | 37.2 | Very low | 41.9 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | 78.5 | 118.5 | 156.1 | -60.3 | -68.8 | 0 | 0 | 0 | 122.5 | ||||
| 320 | S | 36.5 | Very low | 42.8 | Very low | 123 Ų | 123 | 128.7 Ų | 128.7 | 86% | 0.86 | 79% | 0.79 | S | S | * | * | 177.3 | 177.4 | 112.4 | 42.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 321 | L | 38.8 | Very low | 43.7 | Very low | 167 Ų | 167 | 128.1 Ų | 128.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -124.1 | -177 | -164.9 | -79.1 | 169.9 | 0 | 0 | 0 | 111.7 | ||||
| 322 | P | 51.6 | Low | 42.9 | Very low | 127 Ų | 127 | 130.5 Ų | 130.5 | 83% | 0.825 | 78% | 0.784 | S | S | * | * | cis | -129.6 | -179.1 | -17.3 | 24.7 | -1.1 | 0 | 0 | 0 | 114.3 | ||||
| 323 | G | 33 | Very low | 43.3 | Very low | 78 Ų | 78 | 133.1 Ų | 133.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -160.2 | 115 | 172 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 324 | L | 39.3 | Very low | 43.3 | Very low | 188 Ų | 188 | 135.1 Ų | 135.1 | 98% | 0.984 | 78% | 0.78 | S | S | * | * | trans | -46.1 | 141.4 | -172.7 | -59.8 | 164.7 | 0 | 0 | 0 | 118.7 | ||||
| 325 | G | 37.2 | Very low | 43.1 | Very low | 64 Ų | 64 | 134 Ų | 134 | 66% | 0.66 | 77% | 0.774 | S | S | * | * | trans | 177.1 | 123.3 | 163.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 326 | P | 49.4 | Very low | 43.4 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -85.7 | 137.5 | -167.8 | 32.4 | -34.8 | 0 | 0 | 0 | 114.4 | ||||
| 327 | H | 40.6 | Very low | 44.5 | Very low | 163 Ų | 163 | 137.7 Ų | 137.7 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -113.4 | 145 | 167.3 | 58.9 | -88.9 | 0 | 0 | 0 | 110.1 | ||||
| 328 | I | 46.6 | Very low | 44.3 | Very low | 167 Ų | 167 | 138.1 Ų | 138.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -112 | 110.8 | -179.8 | -58.7 | 174.4 | 0 | 0 | 0 | 109 | ||||
| 329 | P | 56.4 | Low | 43.4 | Very low | 94 Ų | 94 | 140.3 Ų | 140.3 | 61% | 0.61 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -86.7 | 150.6 | 173.9 | 33.8 | -33 | 0 | 0 | 0 | 112.2 | ||
| 330 | P | 54.6 | Low | 43.6 | Very low | 115 Ų | 115 | 140.8 Ų | 140.8 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 154.6 | 173.4 | 33.4 | -35 | 0 | 0 | 0 | 112 | ||
| 331 | P | 55.9 | Low | 43.6 | Very low | 105 Ų | 105 | 139.2 Ų | 139.2 | 68% | 0.682 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 134.5 | -178.7 | 30.5 | -34.6 | 0 | 0 | 0 | 112.7 | ||
| 332 | H | 40.6 | Very low | 43.4 | Very low | 163 Ų | 163 | 140.1 Ų | 140.1 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -119.2 | 119.7 | 169.6 | 178.3 | -86.1 | 0 | 0 | 0 | 108.8 | ||||
| 333 | H | 41.7 | Very low | 42.6 | Very low | 169 Ų | 169 | 139.4 Ų | 139.4 | 78% | 0.782 | 79% | 0.785 | S | S | * | * | trans | -107.8 | 109.5 | -173.8 | -61.4 | -63.8 | 0 | 0 | 0 | 111.8 | ||||
| 334 | Q | 36.7 | Very low | 42.8 | Very low | 154 Ų | 154 | 141.3 Ų | 141.3 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -148.3 | 107.1 | 167.1 | -149.5 | -177.1 | 41.3 | 0 | 0 | 112.9 | ||||
| 335 | I | 35.9 | Very low | 42.7 | Very low | 143 Ų | 143 | 144.2 Ų | 144.2 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 50.5 | 117.1 | 136.6 | -57 | 174.4 | 0 | 0 | 0 | 119.4 | ||||
| 336 | H | 43.5 | Very low | 42.6 | Very low | 182 Ų | 182 | 145 Ų | 145 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | -168 | 163.5 | 108.4 | -123.9 | -171.2 | 0 | 0 | 0 | 112.7 | |||||
| 337 | P | 58.5 | Low | 42.2 | Very low | 108 Ų | 108 | 145.4 Ų | 145.4 | 70% | 0.701 | 79% | 0.792 | S | S | * | * | trans | -107.8 | 173.3 | -176.1 | 41.3 | -34.9 | 0 | 0 | 0 | 114.4 | ||||
| 338 | Q | 37.2 | Very low | 42.2 | Very low | 182 Ų | 182 | 144 Ų | 144 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | -142.2 | 163.5 | 158.7 | -144.2 | -153 | -102.7 | 0 | 0 | 112.5 | ||||
| 339 | L | 40.9 | Very low | 42.5 | Very low | 146 Ų | 146 | 141.6 Ų | 141.6 | 76% | 0.764 | 79% | 0.79 | S | S | * | * | trans | -97.5 | 148.8 | -170.3 | -64.2 | 153.7 | 0 | 0 | 0 | 113.2 | ||||
| 340 | Q | 40.5 | Very low | 41.5 | Very low | 184 Ų | 184 | 148.5 Ų | 148.5 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | 170.6 | 134.2 | 120.6 | -89.5 | 161 | 7.6 | 0 | 0 | 108.5 | |||||
| 341 | A | 36.5 | Very low | 40.4 | Very low | 89 Ų | 89 | 147.3 Ų | 147.3 | 74% | 0.736 | 80% | 0.803 | S | S | * | * | cis | 117.5 | 101.5 | 15.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 342 | L | 33.9 | Very low | 39.3 | Very low | 186 Ų | 186 | 147.3 Ų | 147.3 | 97% | 0.974 | 81% | 0.806 | S | S | * | * | trans | -143.5 | 166.7 | 155.5 | -86.1 | -172.4 | 0 | 0 | 0 | 109.7 | ||||
| 343 | S | 36.2 | Very low | 39.4 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 81% | 0.807 | S | S | * | * | trans | -132.1 | 146.2 | -149.6 | -179.3 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 344 | S | 37.6 | Very low | 39.8 | Very low | 117 Ų | 117 | 143.7 Ų | 143.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -152.9 | 155.2 | 157.6 | 54 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 345 | R | 37.1 | Very low | 40.1 | Very low | 250 Ų | 250 | 143.9 Ų | 143.9 | 94% | 0.943 | 81% | 0.81 | S | S | * | * | trans | -98.6 | 149.2 | -164 | -66.8 | 144.9 | 56.8 | -175.9 | -2.1 | 112.5 | ||||
| 346 | G | 34.2 | Very low | 40.1 | Very low | 80 Ų | 80 | 145.4 Ų | 145.4 | 83% | 0.825 | 81% | 0.814 | S | S | * | * | trans | -170.4 | 102.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 347 | T | 40.3 | Very low | 39.6 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 81% | 0.807 | S | S | * | * | trans | -56.8 | 145.5 | -172.6 | 43.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 348 | V | 40.7 | Very low | 38.4 | Very low | 134 Ų | 134 | 139.2 Ų | 139.2 | 81% | 0.812 | 81% | 0.81 | S | S | * | * | trans | -62.1 | 167.3 | 158.4 | -74.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 349 | P | 53.4 | Low | 38.6 | Very low | 117 Ų | 117 | 138.8 Ų | 138.8 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | cis | -152.8 | 151.1 | 36.7 | 42 | -19.1 | 0 | 0 | 0 | 123.3 | ||||
| 350 | R | 35.3 | Very low | 38.4 | Very low | 238 Ų | 238 | 137.5 Ų | 137.5 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | 19.6 | 128.2 | 131.7 | 171.8 | -177.6 | 157.7 | 171.4 | -5.3 | 121.9 | ||||
| 351 | A | 32.1 | Very low | 38.6 | Very low | 90 Ų | 90 | 136.8 Ų | 136.8 | 74% | 0.744 | 82% | 0.817 | S | S | * | * | trans | -157.7 | 110.1 | 138.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 352 | S | 33.5 | Very low | 38.4 | Very low | 105 Ų | 105 | 136.3 Ų | 136.3 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | 77.1 | 123.9 | 77.1 | 64.7 | 0 | 0 | 0 | 0 | 116 | |||||
| 353 | V | 41.4 | Very low | 38.5 | Very low | 130 Ų | 130 | 134.3 Ų | 134.3 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -104.9 | 149.6 | -169.3 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 354 | P | 51.5 | Low | 38.8 | Very low | 126 Ų | 126 | 135.4 Ų | 135.4 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | -133.5 | -177.3 | 124.4 | 14.7 | 7.7 | 0 | 0 | 0 | 114.1 | |||||
| 355 | H | 41.8 | Very low | 38.7 | Very low | 159 Ų | 159 | 134.1 Ų | 134.1 | 74% | 0.736 | 81% | 0.809 | S | S | * | * | trans | -140 | -178.2 | -168.8 | -150.6 | 77.5 | 0 | 0 | 0 | 110.4 | ||||
| 356 | Q | 35.4 | Very low | 38.6 | Very low | 175 Ų | 175 | 127 Ų | 127 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 72.8 | 150.4 | -178.4 | -37.7 | -60.3 | -18.2 | 0 | 0 | 114.8 | ||||
| 357 | G | 32.9 | Very low | 38.6 | Very low | 67 Ų | 67 | 127.6 Ų | 127.6 | 69% | 0.691 | 80% | 0.801 | S | S | * | * | cis | 170.4 | 159.3 | -10.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 358 | A | 33.9 | Very low | 38.3 | Very low | 93 Ų | 93 | 126.5 Ų | 126.5 | 77% | 0.769 | 80% | 0.799 | S | S | * | * | trans | 64.9 | 123 | 159.1 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 359 | L | 41.8 | Very low | 38.3 | Very low | 173 Ų | 173 | 126.4 Ų | 126.4 | 91% | 0.906 | 80% | 0.799 | S | S | * | * | trans | 52.9 | 125.4 | 135 | -54.9 | 174.4 | 0 | 0 | 0 | 122.8 | ||||
| 360 | S | 37.3 | Very low | 38.3 | Very low | 119 Ų | 119 | 126.9 Ų | 126.9 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | -177.4 | 173.9 | 108.8 | -158.3 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 361 | L | 42.8 | Very low | 39.5 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 88% | 0.88 | 79% | 0.793 | S | S | * | * | trans | -97.2 | 157.7 | 173 | -75 | 73.7 | 0 | 0 | 0 | 111.3 | ||||
| 362 | G | 33.3 | Very low | 39.7 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -175.1 | 79.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 363 | N | 36.8 | Very low | 39.9 | Very low | 144 Ų | 144 | 128 Ų | 128 | 77% | 0.77 | 81% | 0.805 | S | S | * | * | trans | -13.8 | 138.2 | 162.9 | -76.6 | 20.1 | 0 | 0 | 0 | 123.6 | ||||
| 364 | V | 41.4 | Very low | 39.6 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 69.2 | 144.1 | 133.6 | -53.2 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 365 | A | 35.5 | Very low | 38.7 | Very low | 91 Ų | 91 | 127.7 Ų | 127.7 | 75% | 0.752 | 81% | 0.805 | S | S | * | * | 117.1 | 107.9 | 128.3 | 0 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 366 | A | 35.6 | Very low | 38.2 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | 86.4 | 161.2 | 126.3 | 0 | 0 | 0 | 0 | 0 | 123 | |||||
| 367 | A | 34 | Very low | 38.3 | Very low | 94 Ų | 94 | 124.8 Ų | 124.8 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 69.4 | 141.3 | 177 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 368 | S | 33.9 | Very low | 38.5 | Very low | 120 Ų | 120 | 129.5 Ų | 129.5 | 84% | 0.839 | 81% | 0.809 | S | S | * | * | cis | -161.1 | 165.7 | -15 | -98.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 369 | T | 41.1 | Very low | 38.7 | Very low | 132 Ų | 132 | 132.2 Ų | 132.2 | 81% | 0.81 | 81% | 0.81 | S | S | * | * | trans | -91.5 | 165.9 | 176.2 | 54.3 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 370 | P | 53.3 | Low | 38.3 | Very low | 127 Ų | 127 | 127.6 Ų | 127.6 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | -142 | 176.7 | 101.4 | 25.9 | -4 | 0 | 0 | 0 | 115.4 | |||||
| 371 | P | 60.1 | Low | 38.1 | Very low | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 81% | 0.806 | S | S | * | * | trans | -131.5 | -152.9 | -157.9 | 44.3 | -27.5 | 0 | 0 | 0 | 116.5 | ||||
| 372 | L | 37 | Very low | 37.8 | Very low | 163 Ų | 163 | 125.1 Ų | 125.1 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 94.2 | 152.3 | 176.5 | -50.9 | -178.3 | 0 | 0 | 0 | 115 | ||||
| 373 | Q | 36.3 | Very low | 38.1 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 80% | 0.801 | S | S | * | * | cis | -145.1 | 167 | 18.3 | -171.7 | 171.7 | -11.5 | 0 | 0 | 113.9 | ||||
| 374 | V | 35.1 | Very low | 38.3 | Very low | 125 Ų | 125 | 127.8 Ų | 127.8 | 76% | 0.758 | 80% | 0.799 | S | S | * | * | trans | -105.7 | 152 | -175.4 | 161.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 375 | S | 32.8 | Very low | 39.2 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -163 | 156.3 | 148 | -83.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 376 | Q | 32.1 | Very low | 39.2 | Very low | 194 Ų | 194 | 130 Ų | 130 | 91% | 0.907 | 79% | 0.794 | S | S | * | * | trans | -156.6 | 133.8 | -171.2 | 174.5 | -164 | 38.9 | 0 | 0 | 111.6 | ||||
| 377 | A | 36.3 | Very low | 39.5 | Very low | 79 Ų | 79 | 132.9 Ų | 132.9 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | trans | -179 | 123.4 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 378 | H | 37.8 | Very low | 39.6 | Very low | 167 Ų | 167 | 137.1 Ų | 137.1 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | 74.9 | 151 | 90.2 | 104.5 | -16.3 | 0 | 0 | 0 | 114.9 | |||||
| 379 | L | 39.2 | Very low | 39.7 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | cis | -164.1 | 144.9 | 8.5 | -140.4 | -175.5 | 0 | 0 | 0 | 111.2 | ||||
| 380 | G | 33.2 | Very low | 39.9 | Very low | 76 Ų | 76 | 139.2 Ų | 139.2 | 78% | 0.784 | 78% | 0.781 | S | S | * | * | trans | 71.5 | 157.8 | 146.1 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 381 | G | 33.3 | Very low | 39 | Very low | 84 Ų | 84 | 139.9 Ų | 139.9 | 87% | 0.866 | 77% | 0.772 | S | S | * | * | trans | 157.3 | 48.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 382 | L | 36.4 | Very low | 38.1 | Very low | 151 Ų | 151 | 141.6 Ų | 141.6 | 79% | 0.791 | 78% | 0.775 | S | S | * | * | trans | -57.7 | 135.2 | -178.1 | -175.5 | 77.5 | 0 | 0 | 0 | 116.6 | ||||
| 383 | H | 39.8 | Very low | 37.9 | Very low | 175 Ų | 175 | 137.3 Ų | 137.3 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | 171.4 | 164.7 | 127.6 | -93.4 | 118.5 | 0 | 0 | 0 | 116.9 | |||||
| 384 | S | 39.4 | Very low | 37.8 | Very low | 104 Ų | 104 | 131 Ų | 131 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | -174 | 174.5 | 178.7 | -162 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 385 | P | 61.1 | Low | 38 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | cis | -123.9 | -174.8 | -28.3 | 39.5 | -24.6 | 0 | 0 | 0 | 113.2 | ||||
| 386 | H | 35.3 | Very low | 38.2 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 78% | 0.782 | 76% | 0.758 | S | S | * | * | trans | -154.1 | 159 | 145 | -151.7 | -90.3 | 0 | 0 | 0 | 114.6 | ||||
| 387 | H | 41.7 | Very low | 38.6 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 73% | 0.731 | 76% | 0.758 | S | S | * | * | trans | -97.3 | 165.6 | -177.8 | -57 | -119.4 | 0 | 0 | 0 | 113.7 | ||||
| 388 | Q | 37.3 | Very low | 38.6 | Very low | 184 Ų | 184 | 132.9 Ų | 132.9 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | 160.9 | 170.4 | 121.5 | -166.5 | 172 | 96.4 | 0 | 0 | 111.5 | |||||
| 389 | H | 35.8 | Very low | 38.6 | Very low | 168 Ų | 168 | 133.1 Ų | 133.1 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | -169.2 | 149.6 | -74 | -173.3 | 33.9 | 0 | 0 | 0 | 109 | |||||
| 390 | Q | 43.7 | Very low | 38.5 | Very low | 127 Ų | 127 | 131.2 Ų | 131.2 | 59% | 0.593 | 76% | 0.764 | S | S | * | * | trans | 68 | 164.1 | 166.8 | -61 | -49.7 | 62.7 | 0 | 0 | 121 | ||||
| 391 | H | 36.2 | Very low | 38.7 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | cis | -177.3 | 150.3 | -32.5 | -173.4 | -143.9 | 0 | 0 | 0 | 112.2 | ||||
| 392 | L | 39.5 | Very low | 39.1 | Very low | 147 Ų | 147 | 137.4 Ų | 137.4 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 79.7 | 135.2 | 146.9 | -153.1 | 59.1 | 0 | 0 | 0 | 123.8 | ||||
| 393 | G | 34.6 | Very low | 40.2 | Very low | 72 Ų | 72 | 136 Ų | 136 | 74% | 0.742 | 76% | 0.763 | S | S | * | * | trans | 93.5 | 134.8 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 394 | G | 33.8 | Very low | 40.1 | Very low | 53 Ų | 53 | 132.2 Ų | 132.2 | 55% | 0.546 | 76% | 0.762 | S | S | . | * | cis | 152.4 | 138.4 | -11.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 395 | H | 39.2 | Very low | 40 | Very low | 195 Ų | 195 | 134.9 Ų | 134.9 | 90% | 0.903 | 77% | 0.766 | S | S | * | * | trans | 68.1 | 160.2 | 164.9 | -26.9 | -68 | 0 | 0 | 0 | 115.2 | ||||
| 396 | S | 35.7 | Very low | 39 | Very low | 111 Ų | 111 | 135.5 Ų | 135.5 | 78% | 0.776 | 77% | 0.768 | S | S | * | * | cis | -156.5 | 170.8 | -26 | -170.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 397 | L | 42.1 | Very low | 39.1 | Very low | 174 Ų | 174 | 134.9 Ų | 134.9 | 91% | 0.911 | 77% | 0.766 | S | S | * | * | trans | -38.2 | 146.5 | 174.5 | -66.1 | 152.2 | 0 | 0 | 0 | 117.5 | ||||
| 398 | G | 35.4 | Very low | 38.7 | Very low | 79 Ų | 79 | 131 Ų | 131 | 81% | 0.814 | 77% | 0.769 | S | S | * | * | trans | -164.9 | 130.2 | 162.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 399 | M | 39 | Very low | 38.6 | Very low | 172 Ų | 172 | 130.9 Ų | 130.9 | 85% | 0.847 | 76% | 0.761 | S | S | * | * | trans | -97.9 | 173.4 | 176.8 | -78.1 | 179.4 | 58 | 0 | 0 | 112.6 | ||||
| 400 | T | 36.8 | Very low | 39.1 | Very low | 110 Ų | 110 | 130.7 Ų | 130.7 | 68% | 0.675 | 76% | 0.76 | S | S | * | * | trans | 101.2 | 119.9 | 149.6 | 66.9 | 0 | 0 | 0 | 0 | 121 | ||||
| 401 | H | 37.3 | Very low | 39.8 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 79% | 0.792 | 76% | 0.759 | S | S | * | * | trans | 49 | 124.5 | 138.9 | -49.8 | -50.8 | 0 | 0 | 0 | 123 | ||||
| 402 | S | 42 | Very low | 39.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 84% | 0.839 | 76% | 0.763 | S | S | * | * | trans | -80.9 | 162.1 | 160.4 | -36.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 403 | P | 58.1 | Low | 39.8 | Very low | 121 Ų | 121 | 128.2 Ų | 128.2 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | trans | -140.5 | 133.7 | 151.7 | 35 | -18.5 | 0 | 0 | 0 | 117.7 | ||||
| 404 | A | 38.6 | Very low | 39.7 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | 78 | 170.8 | 129.8 | 0 | 0 | 0 | 0 | 0 | 124 | |||||
| 405 | I | 37.1 | Very low | 40.1 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | 89.2 | 135.2 | 165 | -60.3 | 176.5 | 0 | 0 | 0 | 116.2 | ||||
| 406 | T | 40.7 | Very low | 39.6 | Very low | 118 Ų | 118 | 131 Ų | 131 | 72% | 0.724 | 76% | 0.764 | S | S | * | * | cis | 177.7 | 149.3 | -13.8 | -86.4 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 407 | Q | 36.7 | Very low | 39.6 | Very low | 156 Ų | 156 | 135.8 Ų | 135.8 | 73% | 0.729 | 77% | 0.766 | S | S | * | * | cis | -155.6 | -168.2 | 0.5 | -133.2 | 177.7 | 26.5 | 0 | 0 | 109.3 | Y409 | Q407-Y409 HydrophobicContact CG-CE2 4.31Š| ||
| 408 | G | 33.6 | Very low | 39.3 | Very low | 77 Ų | 77 | 135.6 Ų | 135.6 | 79% | 0.794 | 76% | 0.761 | S | S | * | * | trans | 168 | 65.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 409 | Y | 34.8 | Very low | 39.7 | Very low | 180 Ų | 180 | 137.4 Ų | 137.4 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | trans | -47.6 | 156.3 | 169.8 | -76.2 | -76 | 0 | 0 | 0 | 117 | Q407 | Q407-Y409 HydrophobicContact CG-CE2 4.31Š| ||
| 410 | H | 45.4 | Very low | 39.5 | Very low | 164 Ų | 164 | 137.9 Ų | 137.9 | 76% | 0.759 | 76% | 0.763 | S | S | * | * | cis | -158.9 | -150.4 | -3 | -154.4 | -155.8 | 0 | 0 | 0 | 111.5 | ||||
| 411 | P | 60.2 | Low | 39.3 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 57% | 0.571 | 77% | 0.765 | S | S | * | * | -132.5 | -173.5 | -122.5 | 46.7 | -27.7 | 0 | 0 | 0 | 118.2 | |||||
| 412 | S | 35.4 | Very low | 39.1 | Very low | 105 Ų | 105 | 131.9 Ų | 131.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | 136.8 | 114.7 | 125.7 | 64 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 413 | L | 39.3 | Very low | 38.7 | Very low | 171 Ų | 171 | 131.2 Ų | 131.2 | 90% | 0.895 | 77% | 0.772 | S | S | * | * | -178.9 | 155.9 | 109.6 | -95.5 | 169.6 | 0 | 0 | 0 | 111.7 | |||||
| 414 | Q | 33.3 | Very low | 37.6 | Very low | 164 Ų | 164 | 133.8 Ų | 133.8 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | trans | -74.8 | 146.2 | 179.3 | -140.8 | 87.5 | -8.1 | 0 | 0 | 110.1 | ||||
| 415 | S | 40.4 | Very low | 37.5 | Very low | 101 Ų | 101 | 137.1 Ų | 137.1 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | 162.2 | 167.1 | 73.5 | -97.7 | 0 | 0 | 0 | 0 | 107 | |||||
| 416 | D | 30.2 | Very low | 37.3 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 60% | 0.604 | 78% | 0.778 | S | S | * | * | cis | -166.8 | 179.6 | -22.5 | -109.9 | -76.3 | 0 | 0 | 0 | 105.3 | ||||
| 417 | Y | 34.9 | Very low | 36.9 | Very low | 212 Ų | 212 | 136.3 Ų | 136.3 | 83% | 0.831 | 78% | 0.78 | S | S | * | * | cis | -137.6 | -145.1 | 11.6 | -161.9 | -112.8 | 0 | 0 | 0 | 109 | ||||
| 418 | Q | 36.5 | Very low | 36.6 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -136.1 | 162.9 | -176.9 | -65.6 | -172.2 | 12.8 | 0 | 0 | 116.7 | ||||
| 419 | S | 42.7 | Very low | 36.6 | Very low | 117 Ų | 117 | 133.1 Ų | 133.1 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -98.4 | 138.4 | 169.7 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 420 | M | 36 | Very low | 36.7 | Very low | 182 Ų | 182 | 130.6 Ų | 130.6 | 90% | 0.897 | 78% | 0.784 | S | S | * | * | trans | -153 | 150.9 | 171.4 | -84.2 | -85.3 | -84.4 | 0 | 0 | 106.5 | ||||
| 421 | G | 32.3 | Very low | 36.3 | Very low | 69 Ų | 69 | 130.6 Ų | 130.6 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | 175.5 | 140.7 | -3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 422 | G | 33.3 | Very low | 35.2 | Very low | 86 Ų | 86 | 131.2 Ų | 131.2 | 89% | 0.887 | 79% | 0.793 | S | S | * | * | trans | -84.7 | 151.8 | -170 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 423 | A | 32.4 | Very low | 35.9 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 88% | 0.884 | 80% | 0.796 | S | S | * | * | trans | -148.8 | 162 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 424 | M | 34.8 | Very low | 35.6 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 86% | 0.862 | 79% | 0.788 | S | S | * | * | trans | -103.7 | 159.5 | -175.7 | -62.1 | 177.4 | 178 | 0 | 0 | 111.9 | ||||
| 425 | L | 38.4 | Very low | 36.1 | Very low | 165 Ų | 165 | 128.1 Ų | 128.1 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | 151.4 | 153 | 118.1 | -80.7 | 177.1 | 0 | 0 | 0 | 114.7 | |||||
| 426 | N | 32.8 | Very low | 35.7 | Very low | 152 Ų | 152 | 128 Ų | 128 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | trans | 91.7 | 150.4 | 146.7 | -144.8 | 20.4 | 0 | 0 | 0 | 120.7 | ||||
| 427 | S | 31.5 | Very low | 36.1 | Very low | 109 Ų | 109 | 133.5 Ų | 133.5 | 76% | 0.762 | 80% | 0.799 | S | S | * | * | trans | -81.7 | 167 | -169.3 | 56.9 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 428 | G | 30.1 | Very low | 36.4 | Very low | 78 Ų | 78 | 129.5 Ų | 129.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 178.5 | 126.2 | 167.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 429 | A | 34.9 | Very low | 36.4 | Very low | 89 Ų | 89 | 128.4 Ų | 128.4 | 74% | 0.736 | 78% | 0.783 | S | S | * | * | trans | -108.2 | -176.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 430 | V | 36.8 | Very low | 36.4 | Very low | 127 Ų | 127 | 131.1 Ų | 131.1 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | 66.4 | 129.7 | 171.7 | -49.4 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 431 | M | 36.8 | Very low | 36.2 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | cis | -160.6 | 152.2 | 46.2 | -71.7 | -95.5 | 46.9 | 0 | 0 | 111.4 | ||||
| 432 | S | 37.1 | Very low | 36.4 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | trans | -94 | 159.1 | 155 | -55.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 433 | P | 49.8 | Very low | 36.5 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 80% | 0.799 | 79% | 0.787 | S | S | * | * | -123 | 138.5 | 95.6 | 1.3 | 19.6 | 0 | 0 | 0 | 111.1 | |||||
| 434 | S | 32.9 | Very low | 36.9 | Very low | 104 Ų | 104 | 139.4 Ų | 139.4 | 73% | 0.727 | 78% | 0.781 | S | S | * | * | 70.9 | 95.3 | 61.4 | -163.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 435 | V | 43 | Very low | 37.5 | Very low | 147 Ų | 147 | 137 Ų | 137 | 89% | 0.891 | 78% | 0.779 | S | S | * | * | trans | -131.3 | 116.6 | 144.4 | -175.6 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 436 | D | 32.8 | Very low | 37.3 | Very low | 98 Ų | 98 | 136.1 Ų | 136.1 | 52% | 0.524 | 78% | 0.775 | S | S | . | * | trans | -103.9 | 142.8 | 179.2 | -171.2 | -84.6 | 0 | 0 | 0 | 110.3 | H438 | D436-H438 WeakPolarHBondContact OD1-CB 3.18Å; D436-H438 IonicContact OD1-CD2 3.29Å; D436-H438 PolarHBondContact OD1-CD2 3.27Å; D436-H438 VanDerWaalsContact OD1-CD2 3.29Å; D436-H438 IonicContact OD1-CG 3.59Å; D436-H438 PolarHBondContact OD1-N 3.02Å; D436-H438 IonicContact OD2-CD2 3.21Å; D436-H438 PolarHBondContact OD2-CD2 2.86Å; D436-H438 IonicContact OD2-NE2 3.87Å | ||
| 437 | Y | 38.6 | Very low | 37.4 | Very low | 230 Ų | 230 | 137.8 Ų | 137.8 | 90% | 0.902 | 78% | 0.777 | S | S | * | * | trans | -143.1 | 83.8 | 160.9 | -114.2 | -79.6 | 0 | 0 | 0 | 110.4 | ||||
| 438 | H | 40.2 | Very low | 37.7 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 59% | 0.593 | 78% | 0.778 | S | S | * | * | trans | -66.1 | 154 | -177.9 | -112.2 | -135.3 | 0 | 0 | 0 | 116 | D436 | D436-H438 WeakPolarHBondContact OD1-CB 3.18Å; D436-H438 IonicContact OD1-CD2 3.29Å; D436-H438 PolarHBondContact OD1-CD2 3.27Å; D436-H438 VanDerWaalsContact OD1-CD2 3.29Å; D436-H438 IonicContact OD1-CG 3.59Å; D436-H438 PolarHBondContact OD1-N 3.02Å; D436-H438 IonicContact OD2-CD2 3.21Å; D436-H438 PolarHBondContact OD2-CD2 2.86Å; D436-H438 IonicContact OD2-NE2 3.87Å | ||
| 439 | Q | 37.1 | Very low | 38.4 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 115.3 | 147.7 | -111.2 | 77 | 97.1 | 0 | 0 | 122.7 | ||||
| 440 | L | 42.4 | Very low | 38.2 | Very low | 174 Ų | 174 | 142 Ų | 142 | 91% | 0.911 | 77% | 0.767 | S | S | * | * | 139.4 | 133.2 | 128.1 | -75.1 | 159.5 | 0 | 0 | 0 | 110.3 | |||||
| 441 | G | 31.2 | Very low | 38.1 | Very low | 71 Ų | 71 | 144.3 Ų | 144.3 | 73% | 0.732 | 78% | 0.775 | S | S | * | * | cis | -159.3 | 165.8 | -6.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 442 | R | 36.7 | Very low | 37.9 | Very low | 234 Ų | 234 | 141.7 Ų | 141.7 | 88% | 0.883 | 76% | 0.764 | S | S | * | * | trans | -74.4 | 147.4 | -175 | -62 | -73.1 | -172.9 | -170 | -1.4 | 112.1 | ||||
| 443 | H | 36.3 | Very low | 37.9 | Very low | 187 Ų | 187 | 147.3 Ų | 147.3 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | -172.2 | 143.1 | 114.2 | -104.8 | -75.3 | 0 | 0 | 0 | 112.6 | |||||
| 444 | T | 41 | Very low | 37.1 | Very low | 125 Ų | 125 | 146 Ų | 146 | 77% | 0.767 | 76% | 0.764 | S | S | * | * | trans | -111.4 | 155.2 | 162.3 | 53.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 445 | P | 46.1 | Very low | 37.2 | Very low | 126 Ų | 126 | 147.1 Ų | 147.1 | 82% | 0.818 | 77% | 0.766 | S | S | * | * | -144.8 | -179.8 | 99.3 | 38.1 | -21.9 | 0 | 0 | 0 | 115 | |||||
| 446 | N | 34.6 | Very low | 36.8 | Very low | 146 Ų | 146 | 148.4 Ų | 148.4 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | -55 | 142.2 | 179.4 | -73 | -53 | 0 | 0 | 0 | 114.8 | ||||
| 447 | H | 36.4 | Very low | 36.9 | Very low | 187 Ų | 187 | 154 Ų | 154 | 87% | 0.866 | 78% | 0.778 | S | S | * | * | -177 | 145.5 | 101.1 | -102.2 | -83.7 | 0 | 0 | 0 | 113 | |||||
| 448 | H | 35.9 | Very low | 37 | Very low | 168 Ų | 168 | 152.8 Ų | 152.8 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -104.1 | 157 | 166.8 | -166.7 | -121.5 | 0 | 0 | 0 | 106.8 | ||||
| 449 | P | 45.1 | Very low | 36.6 | Very low | 106 Ų | 106 | 150.2 Ų | 150.2 | 69% | 0.688 | 79% | 0.788 | S | S | * | * | cis | -143.7 | -176.5 | 30.8 | 44.5 | -25.1 | 0 | 0 | 0 | 119 | ||||
| 450 | S | 31.9 | Very low | 36.5 | Very low | 89 Ų | 89 | 151.4 Ų | 151.4 | 62% | 0.622 | 80% | 0.799 | S | S | * | * | trans | 79 | 96.5 | 148.4 | -160.2 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 451 | L | 34.3 | Very low | 36.2 | Very low | 176 Ų | 176 | 147.1 Ų | 147.1 | 92% | 0.921 | 80% | 0.797 | S | S | * | * | trans | -81.9 | 115.9 | 143.1 | -94.7 | 67 | 0 | 0 | 0 | 108.2 | ||||
| 452 | D | 32.2 | Very low | 36.5 | Very low | 110 Ų | 110 | 149.2 Ų | 149.2 | 59% | 0.588 | 80% | 0.8 | S | S | * | * | trans | -105.1 | 145.6 | 161.3 | -179.3 | 33 | 0 | 0 | 0 | 109.6 | S454 | D452-S454 PolarHBondContact OD1-N 2.58Å; D452-S454 PolarHBondContact OD1-OG 3.29Å; D452-S454 WeakPolarHBondContact OD2-CB 3.4Å; D452-S454 PolarHBondContact OD2-OG 3.06Å | ||
| 453 | W | 36.6 | Very low | 37 | Very low | 219 Ų | 219 | 145.4 Ų | 145.4 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -118.9 | 26.5 | -176.7 | 49.7 | -87.4 | 0 | 0 | 0 | 111.7 | T455 | W453-T455 PolarHBondContact O-N 2.91Å; W453-T455 PolarHBondContact O-OG1 3.33Å | ||
| 454 | S | 33.2 | Very low | 37.2 | Very low | 96 Ų | 96 | 145.6 Ų | 145.6 | 67% | 0.671 | 80% | 0.798 | S | S | * | * | trans | -48.9 | 101.6 | 176.9 | -78.3 | 0 | 0 | 0 | 0 | 112.4 | D452 E456 | D452-S454 PolarHBondContact OD1-N 2.58Å; D452-S454 PolarHBondContact OD1-OG 3.29Å; D452-S454 WeakPolarHBondContact OD2-CB 3.4Å; D452-S454 PolarHBondContact OD2-OG 3.06Å; S454-E456 PolarHBondContact O-N 3.46Å | ||
| 455 | T | 35.6 | Very low | 37.4 | Very low | 127 Ų | 127 | 150 Ų | 150 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -78.1 | 111.1 | -179.2 | -63.5 | 0 | 0 | 0 | 0 | 109.5 | W453 Y457 | W453-T455 PolarHBondContact O-N 2.91Å; W453-T455 PolarHBondContact O-OG1 3.33Å; T455-Y457 PolarHBondContact O-N 3.41Å | ||
| 456 | E | 34.5 | Very low | 37.1 | Very low | 174 Ų | 174 | 151.6 Ų | 151.6 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | trans | -55.2 | 118 | 172.3 | -179.9 | -174.2 | 144.3 | 0 | 0 | 111.3 | S454 | S454-E456 PolarHBondContact O-N 3.46Š| ||
| 457 | Y | 34.3 | Very low | 37.7 | Very low | 216 Ų | 216 | 153.4 Ų | 153.4 | 85% | 0.847 | 80% | 0.803 | S | S | * | * | trans | -165.9 | 61.4 | 151.9 | -121.8 | -72.5 | 0 | 0 | 0 | 114.9 | T455 | T455-Y457 PolarHBondContact O-N 3.41Š| ||
| 458 | H | 41.1 | Very low | 38.5 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 94% | 0.94 | 80% | 0.801 | S | S | * | * | trans | -136.4 | 89.8 | 165.1 | -88.2 | -52.2 | 0 | 0 | 0 | 112.3 | ||||
| 459 | G | 31.6 | Very low | 39.1 | Very low | 74 Ų | 74 | 150.7 Ų | 150.7 | 76% | 0.763 | 81% | 0.807 | S | S | * | * | trans | -141.3 | 89.7 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | G461 | G459-G461 PolarHBondContact O-N 3.38Š| ||
| 460 | N | 36.4 | Very low | 39.3 | Very low | 172 Ų | 172 | 156 Ų | 156 | 92% | 0.92 | 82% | 0.815 | S | S | * | * | trans | -67.9 | 122.6 | 171 | -94.2 | -18.1 | 0 | 0 | 0 | 109.4 | S462 | N460-S462 PolarHBondContact O-N 3.21Å; N460-S462 VanDerWaalsContact O-N 3.07Å | ||
| 461 | G | 36 | Very low | 40 | Very low | 84 Ų | 84 | 159.1 Ų | 159.1 | 87% | 0.866 | 82% | 0.823 | S | S | * | * | trans | -63.9 | 108.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | G459 | G459-G461 PolarHBondContact O-N 3.38Š| ||
| 462 | S | 36.5 | Very low | 40.3 | Very low | 114 Ų | 114 | 159.7 Ų | 159.7 | 80% | 0.797 | 84% | 0.843 | S | S | * | * | trans | -94.8 | 140.6 | 164 | -170.8 | 0 | 0 | 0 | 0 | 109.7 | N460 Q464 | N460-S462 PolarHBondContact O-N 3.21Å; N460-S462 VanDerWaalsContact O-N 3.07Å; S462-Q464 PolarHBondContact O-N 2.92Å | ||
| 463 | L | 47.3 | Very low | 40.7 | Very low | 155 Ų | 155 | 162.2 Ų | 162.2 | 81% | 0.812 | 86% | 0.855 | S | S | * | * | trans | -66.3 | 121.9 | 174.2 | -97.4 | 60.3 | 0 | 0 | 0 | 110.3 | ||||
| 464 | Q | 40.3 | Very low | 41 | Very low | 190 Ų | 190 | 159.2 Ų | 159.2 | 89% | 0.888 | 86% | 0.857 | S | S | * | * | trans | -137.1 | 131 | 143.4 | -139 | 159.9 | 13.1 | 0 | 0 | 109.8 | S462 | S462-Q464 PolarHBondContact O-N 2.92Š| ||
| 465 | R | 44.7 | Very low | 41.4 | Very low | 217 Ų | 217 | 162.7 Ų | 162.7 | 82% | 0.819 | 87% | 0.867 | S | S | * | * | trans | -86.8 | 137 | 170.7 | -52.1 | 174.7 | -175.5 | 102.2 | -2.5 | 106.3 | ||||
| 466 | D | 40.6 | Very low | 41.7 | Very low | 160 Ų | 160 | 164.8 Ų | 164.8 | 86% | 0.856 | 87% | 0.872 | S | S | * | * | trans | -151.3 | 161.6 | 135.6 | -105 | -45.1 | 0 | 0 | 0 | 111.2 | ||||
| 467 | K | 46.3 | Very low | 42.2 | Very low | 184 Ų | 184 | 164.3 Ų | 164.3 | 80% | 0.8 | 88% | 0.876 | S | S | * | * | trans | -98.5 | 139.3 | -164.5 | -60 | 168.6 | -176 | 170.1 | 0 | 111.3 | L469 | K467-L469 PolarHBondContact O-N 3.29Š| ||
| 468 | P | 55 | Low | 42.7 | Very low | 128 Ų | 128 | 160.8 Ų | 160.8 | 83% | 0.831 | 88% | 0.878 | S | S | * | * | trans | -70.9 | 124.3 | 162.1 | 30.5 | -31.6 | 0 | 0 | 0 | 109.3 | ||||
| 469 | L | 48.6 | Very low | 42.8 | Very low | 171 Ų | 171 | 157.8 Ų | 157.8 | 90% | 0.895 | 87% | 0.873 | S | S | * | * | trans | -122.5 | 120.2 | 159.6 | -92.8 | 172 | 0 | 0 | 0 | 108 | K467 | K467-L469 PolarHBondContact O-N 3.29Š| ||
| 470 | Y | 49.4 | Very low | 43.7 | Very low | 217 Ų | 217 | 164.2 Ų | 164.2 | 85% | 0.851 | 88% | 0.882 | S | S | * | * | trans | -136.2 | 106 | 176.2 | -168.2 | -79.3 | 0 | 0 | 0 | 106.9 | ||||
| 471 | L | 46.2 | Very low | 44.3 | Very low | 154 Ų | 154 | 163.6 Ų | 163.6 | 81% | 0.806 | 88% | 0.879 | S | S | * | * | trans | -170.1 | 141.9 | 151.2 | -130.4 | 71.5 | 0 | 0 | 0 | 110.7 | ||||
| 472 | S | 40.6 | Very low | 45 | Very low | 189 Ų | 189 | 170.8 Ų | 170.8 | 100% | 1.322 | 88% | 0.88 | S | S | * | * | trans | 37 | 0 | 151.9 | -60.9 | 0 | 0 | 0 | 0 | 119.3 |
Retrieved 472 of 472 residues in 284.9 ms
(Link to these results)