| 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 | 44.5 | Very low | 38.4 | Very low | 177 Ų | 177 | 130.1 Ų | 130.1 | 100% | 1.238 | 86% | 0.863 | S | S | * | * | 0 | 122.4 | 0 | -77.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 2 | A | 48.8 | Very low | 37.6 | Very low | 92 Ų | 92 | 124.7 Ų | 124.7 | 76% | 0.76 | 85% | 0.847 | S | S | * | * | trans | -57 | 161.9 | -172.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 3 | P | 49.8 | Very low | 37.2 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 83% | 0.831 | 85% | 0.845 | S | S | * | * | -131.3 | 162.6 | 106 | 35.4 | -25.5 | 0 | 0 | 0 | 115 | |||||
| 4 | D | 39.4 | Very low | 36.8 | Very low | 164 Ų | 164 | 129 Ų | 129 | 88% | 0.877 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 163.1 | -163.4 | -76.5 | -56.5 | 0 | 0 | 0 | 118 | ||
| 5 | A | 39.3 | Very low | 36.2 | Very low | 98 Ų | 98 | 125.5 Ų | 125.5 | 81% | 0.81 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 151.2 | -170.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 6 | M | 32.2 | Very low | 35.6 | Very low | 185 Ų | 185 | 122.5 Ų | 122.5 | 91% | 0.911 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -70 | 152.1 | 157.8 | -73.2 | -169.9 | -48 | 0 | 0 | 112.7 | ||
| 7 | A | 34.7 | Very low | 35.4 | Very low | 99 Ų | 99 | 122.7 Ų | 122.7 | 82% | 0.818 | 83% | 0.833 | S | S | * | * | trans | 140.7 | 146.6 | 133.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 8 | A | 34.1 | Very low | 35.1 | Very low | 96 Ų | 96 | 123.9 Ų | 123.9 | 79% | 0.793 | 83% | 0.828 | S | S | * | * | cis | -170 | 153.3 | -18.3 | 0 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 9 | A | 32.8 | Very low | 34.8 | Very low | 95 Ų | 95 | 126.8 Ų | 126.8 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | trans | -74.8 | 155.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 10 | T | 33.6 | Very low | 34.3 | Very low | 132 Ų | 132 | 123.3 Ų | 123.3 | 81% | 0.81 | 82% | 0.816 | S | S | * | * | trans | -143.2 | 109.9 | 155.1 | 37.4 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 11 | L | 33.6 | Very low | 34.2 | Very low | 165 Ų | 165 | 124.7 Ų | 124.7 | 86% | 0.864 | 81% | 0.814 | S | S | * | * | 45.6 | 117.2 | 87 | -69.5 | 164.5 | 0 | 0 | 0 | 111.3 | |||||
| 12 | G | 28.9 | Very low | 33.5 | Very low | 65 Ų | 65 | 123.6 Ų | 123.6 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | cis | 98.1 | 120.1 | 31.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 13 | E | 31.6 | Very low | 32.6 | Very low | 175 Ų | 175 | 123 Ų | 123 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | 109.2 | 121.7 | 153.3 | -57 | -159 | 121.7 | 0 | 0 | 121.2 | ||||
| 14 | V | 32.3 | Very low | 31.7 | Very low | 135 Ų | 135 | 123.1 Ų | 123.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | 69 | 131 | 124.7 | -61.8 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 15 | G | 26.9 | Very low | 31.3 | Very low | 77 Ų | 77 | 122.2 Ų | 122.2 | 79% | 0.794 | 80% | 0.796 | S | S | * | * | 138.5 | 99.5 | 110 | 0 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 16 | G | 27.9 | Very low | 30.9 | Very low | 77 Ų | 77 | 125.4 Ų | 125.4 | 79% | 0.794 | 79% | 0.794 | S | S | * | * | trans | 66.7 | 169.2 | 137.4 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 17 | V | 31.2 | Very low | 30.9 | Very low | 126 Ų | 126 | 123.2 Ų | 123.2 | 76% | 0.764 | 79% | 0.791 | S | S | * | * | cis | -176.9 | 137.8 | -4.6 | 123 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 18 | L | 30.6 | Very low | 30.7 | Very low | 144 Ų | 144 | 121.4 Ų | 121.4 | 75% | 0.754 | 78% | 0.781 | S | S | * | * | trans | 63.8 | 150.8 | 145.3 | -61.9 | 175.6 | 0 | 0 | 0 | 126.1 | ||||
| 19 | H | 28.4 | Very low | 30.8 | Very low | 180 Ų | 180 | 122.5 Ų | 122.5 | 83% | 0.833 | 78% | 0.783 | S | S | * | * | trans | 80.8 | 136.3 | 159.1 | -81 | 94.6 | 0 | 0 | 0 | 118.4 | ||||
| 20 | G | 26.1 | Very low | 31.1 | Very low | 56 Ų | 56 | 126.5 Ų | 126.5 | 58% | 0.577 | 79% | 0.785 | S | S | * | * | cis | 173.3 | 142.4 | 5.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 21 | I | 31.3 | Very low | 31.2 | Very low | 152 Ų | 152 | 130.2 Ų | 130.2 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | 103.9 | 138 | 121.5 | 69.6 | 147.1 | 0 | 0 | 0 | 118.5 | |||||
| 22 | D | 30.2 | Very low | 31.3 | Very low | 154 Ų | 154 | 128 Ų | 128 | 82% | 0.824 | 78% | 0.783 | S | S | * | * | trans | 72.8 | 122.6 | 154 | -60.4 | -21.4 | 0 | 0 | 0 | 124.1 | ||||
| 23 | G | 29 | Very low | 31.8 | Very low | 81 Ų | 81 | 133 Ų | 133 | 84% | 0.835 | 79% | 0.794 | S | S | * | * | trans | 165.6 | 72.8 | 163.8 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 24 | V | 32.3 | Very low | 31.9 | Very low | 129 Ų | 129 | 130.8 Ų | 130.8 | 78% | 0.782 | 79% | 0.792 | S | S | * | * | trans | -61.1 | 136.1 | 175.6 | 174.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 25 | V | 29.3 | Very low | 32.2 | Very low | 146 Ų | 146 | 130 Ų | 130 | 89% | 0.885 | 79% | 0.79 | S | S | * | * | trans | -145.2 | 135.6 | 137.4 | -174.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 26 | H | 31.3 | Very low | 33.1 | Very low | 165 Ų | 165 | 132.5 Ų | 132.5 | 76% | 0.764 | 79% | 0.793 | S | S | * | * | trans | -116.6 | 127.5 | -166 | -169.5 | 99.1 | 0 | 0 | 0 | 109.5 | ||||
| 27 | V | 33.3 | Very low | 33.4 | Very low | 139 Ų | 139 | 132.1 Ų | 132.1 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | -160.1 | 108.1 | 149.6 | -169.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 28 | G | 29.8 | Very low | 33.5 | Very low | 60 Ų | 60 | 134.4 Ų | 134.4 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | 63.9 | 120.1 | 92.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 29 | S | 37.3 | Very low | 33.8 | Very low | 119 Ų | 119 | 131.1 Ų | 131.1 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | cis | -174.6 | 156.5 | 43.1 | 36.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 30 | H | 38.9 | Very low | 34.5 | Very low | 180 Ų | 180 | 128.6 Ų | 128.6 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -58.6 | 137.6 | -173.7 | -59.9 | -96.2 | 0 | 0 | 0 | 115.3 | ||||
| 31 | F | 33.8 | Very low | 35.2 | Very low | 210 Ų | 210 | 132 Ų | 132 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | trans | -95.2 | 114.7 | 161.8 | -117.5 | -93.9 | 0 | 0 | 0 | 108.9 | ||||
| 32 | V | 37.1 | Very low | 35.4 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 72% | 0.715 | 81% | 0.812 | S | S | * | * | trans | -96.5 | 130.5 | 172.8 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 33 | L | 38.5 | Very low | 36.1 | Very low | 170 Ų | 170 | 132.8 Ų | 132.8 | 89% | 0.89 | 81% | 0.811 | S | S | * | * | trans | -91.3 | 134.2 | 170.8 | -81 | 161.5 | 0 | 0 | 0 | 110 | ||||
| 34 | T | 34.6 | Very low | 36.2 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -139.9 | 151.7 | 164.3 | 24.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 35 | P | 38.9 | Very low | 36.8 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 77% | 0.766 | 80% | 0.798 | S | S | * | * | trans | -97.3 | -178.9 | -155.5 | 42.1 | -37.1 | 0 | 0 | 0 | 113.8 | ||||
| 36 | P | 46.1 | Very low | 37.4 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 85% | 0.851 | 79% | 0.793 | S | S | * | * | trans | -91.5 | 150.8 | -164.9 | 36 | -29.8 | 0 | 0 | 0 | 113.6 | ||||
| 37 | G | 33.3 | Very low | 38.1 | Very low | 68 Ų | 68 | 134.7 Ų | 134.7 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | trans | -176 | 115.7 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 38 | D | 33.2 | Very low | 38.4 | Very low | 175 Ų | 175 | 136 Ų | 136 | 94% | 0.936 | 80% | 0.797 | S | S | * | * | trans | 60.5 | 135.4 | 146.7 | -57.3 | -25.2 | 0 | 0 | 0 | 123.7 | ||||
| 39 | G | 36.9 | Very low | 38.9 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -74.6 | -158.6 | -171.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 40 | P | 42.3 | Very low | 39.2 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | -141.7 | 176.2 | 53.3 | 35.3 | -13.3 | 0 | 0 | 0 | 116.8 | |||||
| 41 | T | 42.2 | Very low | 39.7 | Very low | 128 Ų | 128 | 133.3 Ų | 133.3 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | -43.1 | 146.9 | 169.2 | 45 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 42 | L | 35.8 | Very low | 40.1 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 89% | 0.89 | 79% | 0.787 | S | S | * | * | trans | -162.7 | 144.6 | 131.5 | -100.5 | -177.1 | 0 | 0 | 0 | 113.2 | ||||
| 43 | L | 43 | Very low | 40.6 | Very low | 152 Ų | 152 | 134.6 Ų | 134.6 | 80% | 0.796 | 80% | 0.797 | S | S | * | * | trans | -57.8 | 148 | -174.1 | -76.3 | 143.2 | 0 | 0 | 0 | 115.4 | ||||
| 44 | G | 32.1 | Very low | 41 | Very low | 60 Ų | 60 | 135.8 Ų | 135.8 | 62% | 0.619 | 79% | 0.789 | S | S | * | * | trans | -158.3 | 74.4 | 165.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | H46 | G44-H46 PolarHBondContact O-N 3.19Å; G44-H46 VanDerWaalsContact O-N 3.09Å | ||
| 45 | E | 45.8 | Very low | 42.1 | Very low | 157 Ų | 157 | 140.7 Ų | 140.7 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | trans | -60.7 | 103.2 | 162.8 | -87.2 | 168.8 | 100.9 | 0 | 0 | 109.4 | ||||
| 46 | H | 42.1 | Very low | 42.9 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 78% | 0.778 | 80% | 0.797 | S | S | * | * | trans | -101.5 | 103.2 | 159.5 | -72.8 | -79 | 0 | 0 | 0 | 108.6 | G44 L48 | G44-H46 PolarHBondContact O-N 3.19Å; G44-H46 VanDerWaalsContact O-N 3.09Å; H46-L48 PolarHBondContact O-N 3.09Å | ||
| 47 | H | 45.4 | Very low | 43.2 | Very low | 175 Ų | 175 | 138.8 Ų | 138.8 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | -48.7 | 114.6 | 164.3 | -82.4 | 64 | 0 | 0 | 0 | 109.9 | ||||
| 48 | L | 38.6 | Very low | 44.3 | Very low | 168 Ų | 168 | 139.8 Ų | 139.8 | 88% | 0.88 | 77% | 0.766 | S | S | * | * | trans | -101.5 | 124.6 | 167.4 | -75.2 | 168.3 | 0 | 0 | 0 | 109.1 | H46 | H46-L48 PolarHBondContact O-N 3.09Š| ||
| 49 | A | 40.7 | Very low | 45.6 | Very low | 89 Ų | 89 | 136.9 Ų | 136.9 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | -58.3 | 146.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | G51 | A49-G51 PolarHBondContact O-N 3.12Å; A49-G51 VanDerWaalsContact O-N 3.12Å | ||
| 50 | P | 44.7 | Very low | 46.7 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 90% | 0.903 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.8 | 97.6 | 178.9 | 31.7 | -29.7 | 0 | 0 | 0 | 109.1 | ||
| 51 | G | 48.9 | Very low | 47.7 | Very low | 73 Ų | 73 | 134.7 Ų | 134.7 | 75% | 0.753 | 72% | 0.722 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -161.9 | -25.7 | -179.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | A49 | A49-G51 PolarHBondContact O-N 3.12Å; A49-G51 VanDerWaalsContact O-N 3.12Å |
| 52 | D | 42.9 | Very low | 48.8 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 60% | 0.604 | 70% | 0.704 | S | S | * | * | trans | -115 | 58.7 | -171.4 | -149.7 | 26.8 | 0 | 0 | 0 | 112.1 | R54 | D52-R54 PolarHBondContact O-N 3.27Å; D52-R54 IonicContact OD2-CZ 3.36Å; D52-R54 IonicContact OD2-NE 2.83Å; D52-R54 PolarHBondContact OD2-NE 2.9Å; D52-R54 IonicContact OD2-NH2 2.94Å; D52-R54 PolarHBondContact OD2-NH2 3.05Å | ||
| 53 | R | 45.8 | Very low | 50.2 | Low | 243 Ų | 243 | 131.7 Ų | 131.7 | 92% | 0.917 | 70% | 0.695 | S | S | * | * | trans | -79.8 | 71.1 | 169.5 | -151.6 | 174.7 | -176.4 | 175.9 | 0.4 | 107.9 | Y55 | R53-Y55 PolarHBondContact O-N 2.97Š| ||
| 54 | R | 47.6 | Very low | 51.4 | Low | 194 Ų | 194 | 129.9 Ų | 129.9 | 73% | 0.732 | 68% | 0.682 | S | S | * | * | trans | -49.3 | 130.3 | 168.6 | -63 | 179.6 | -154.9 | 147.5 | 10.3 | 107.6 | D52 L56 | D52-R54 PolarHBondContact O-N 3.27Å; D52-R54 IonicContact OD2-CZ 3.36Å; D52-R54 IonicContact OD2-NE 2.83Å; D52-R54 PolarHBondContact OD2-NE 2.9Å; D52-R54 IonicContact OD2-NH2 2.94Å; D52-R54 PolarHBondContact OD2-NH2 3.05Å; R54-L56 PolarHBondContact O-N 2.68Å | ||
| 55 | Y | 58 | Low | 53 | Low | 231 Ų | 231 | 131.2 Ų | 131.2 | 91% | 0.906 | 67% | 0.674 | S | S | * | * | trans | -55.9 | 80.5 | 177.9 | -63.6 | -93.9 | 0 | 0 | 0 | 110.4 | R53 P57 | R53-Y55 PolarHBondContact O-N 2.97Å; Y55-P57 WeakPolarHBondContact O-CD 3.21Å | ||
| 56 | L | 55.4 | Low | 54.2 | Low | 154 Ų | 154 | 129.3 Ų | 129.3 | 81% | 0.806 | 66% | 0.664 | S | S | * | * | trans | -75.1 | 110.9 | 164.1 | -166.5 | 70.9 | 0 | 0 | 0 | 104.9 | R54 T58 | R54-L56 PolarHBondContact O-N 2.68Å; L56-T58 PolarHBondContact O-N 3.18Å | ||
| 57 | P | 53.3 | Low | 55.7 | Low | 55 Ų | 55 | 121.6 Ų | 121.6 | 36% | 0.357 | 63% | 0.629 | S | S | . | * | trans | -56.4 | 128.6 | -177.8 | 21.7 | -31.5 | 0 | 0 | 0 | 108.1 | Y55 D61 L62 | Y55-P57 WeakPolarHBondContact O-CD 3.21Å; P57-D61 HydrophobicContact CB-CB 4.06Å; P57-D61 WeakPolarHBondContact CB-OD2 3.3Å; P57-L62 HydrophobicContact CG-CD1 4.16Å | ||
| 58 | T | 56.1 | Low | 56.9 | Low | 90 Ų | 90 | 114.5 Ų | 114.5 | 55% | 0.552 | 60% | 0.597 | S | S | * | * | trans | -58.1 | 155.3 | 178.8 | 59.5 | 0 | 0 | 0 | 0 | 109.6 | L56 P60 D61 L62 | L56-T58 PolarHBondContact O-N 3.18Å; T58-P60 VanDerWaalsContact C-N 3.29Å; T58-P60 VanDerWaalsContact O-N 3.14Å; T58-P60 WeakPolarHBondContact OG1-CG 3.5Å; T58-D61 WeakPolarHBondContact O-CB 3.14Å; T58-D61 PolarHBondContact O-N 2.93Å; T58-L62 PolarHBondContact O-N 3.08Å; T58-L62 VanDerWaalsContact O-N 3.08Å | ||
| 59 | T | 60.3 | Low | 58.8 | Low | 113 Ų | 113 | 112.1 Ų | 112.1 | 69% | 0.693 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -51.2 | -34.6 | -179.8 | 58.6 | 0 | 0 | 0 | 0 | 115.5 | K63 | T59-K63 WeakPolarHBondContact O-CG 3.41Å; T59-K63 PolarHBondContact O-N 3.34Å |
| 60 | P | 59.8 | Low | 61.1 | Low | 74 Ų | 74 | 113.3 Ų | 113.3 | 48% | 0.481 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -70.6 | -33.9 | 172.2 | 25.4 | -34.4 | 0 | 0 | 0 | 114 | T58 K63 H64 | T58-P60 VanDerWaalsContact C-N 3.29Å; T58-P60 VanDerWaalsContact O-N 3.14Å; T58-P60 WeakPolarHBondContact OG1-CG 3.5Å; P60-K63 PolarHBondContact O-N 3.14Å; P60-H64 PolarHBondContact O-N 3.17Å |
| 61 | D | 63.5 | Low | 63.5 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 44% | 0.439 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -67 | -42.8 | 178.1 | -174.5 | 19.6 | 0 | 0 | 0 | 111 | P57 T58 K63 H64 L65 | P57-D61 HydrophobicContact CB-CB 4.06Å; P57-D61 WeakPolarHBondContact CB-OD2 3.3Å; T58-D61 WeakPolarHBondContact O-CB 3.14Å; T58-D61 PolarHBondContact O-N 2.93Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.24Å; D61-H64 PolarHBondContact O-N 3.11Å; D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 3.23Å |
| 62 | L | 64.6 | Low | 65.8 | Low | 76 Ų | 76 | 108.4 Ų | 108.4 | 40% | 0.398 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.5 | -35.1 | 173.9 | -161.1 | 98.1 | 0 | 0 | 0 | 112.8 | P57 T58 K66 | P57-L62 HydrophobicContact CG-CD1 4.16Å; T58-L62 PolarHBondContact O-N 3.08Å; T58-L62 VanDerWaalsContact O-N 3.08Å; L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 VanDerWaalsContact O-CG 3.3Å; L62-K66 WeakPolarHBondContact O-CG 3.43Å; L62-K66 PolarHBondContact O-N 2.86Å; L62-K66 VanDerWaalsContact O-N 3.11Å |
| 63 | K | 66 | Low | 68.4 | Low | 160 Ų | 160 | 103 Ų | 103 | 70% | 0.696 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -69.3 | -43 | 175.3 | -75 | 177.7 | -179 | -178.6 | 0 | 111.1 | T59 P60 D61 K66 G67 | T59-K63 WeakPolarHBondContact O-CG 3.41Å; T59-K63 PolarHBondContact O-N 3.34Å; P60-K63 PolarHBondContact O-N 3.14Å; D61-K63 VanDerWaalsContact C-N 3.31Å; D61-K63 PolarHBondContact O-N 3.24Å; K63-K66 PolarHBondContact O-N 2.88Å; K63-G67 PolarHBondContact O-N 2.91Å |
| 64 | H | 67.5 | Low | 70.9 | Confident | 114 Ų | 114 | 91.5 Ų | 91.5 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -59.6 | -47.8 | 174.1 | -107.1 | 86.8 | 0 | 0 | 0 | 111.6 | P60 D61 K66 G67 I68 | P60-H64 PolarHBondContact O-N 3.17Å; D61-H64 PolarHBondContact O-N 3.11Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 3.5Å; H64-G67 PolarHBondContact O-N 3.1Å; H64-G67 VanDerWaalsContact O-N 3.08Å; H64-I68 VanDerWaalsContact O-CG1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.42Å; H64-I68 PolarHBondContact O-N 2.95Å |
| 65 | L | 67 | Low | 73.4 | Confident | 87 Ų | 87 | 85.4 Ų | 85.4 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -60.4 | -40.5 | 178.5 | -170.2 | 63.6 | 0 | 0 | 0 | 112.4 | D61 I68 L69 | D61-L65 WeakPolarHBondContact O-CB 3.34Å; D61-L65 PolarHBondContact O-N 3.23Å; L65-I68 PolarHBondContact O-N 3.3Å; L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.34Å |
| 66 | K | 71.3 | Confident | 75.3 | Confident | 118 Ų | 118 | 74.4 Ų | 74.4 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -65.3 | -35.8 | 174.4 | -76.3 | 176.8 | 179.1 | -178 | 0 | 112.9 | L62 K63 H64 R70 | L62-K66 WeakPolarHBondContact O-CB 3.48Å; L62-K66 VanDerWaalsContact O-CG 3.3Å; L62-K66 WeakPolarHBondContact O-CG 3.43Å; L62-K66 PolarHBondContact O-N 2.86Å; L62-K66 VanDerWaalsContact O-N 3.11Å; K63-K66 PolarHBondContact O-N 2.88Å; H64-K66 VanDerWaalsContact C-N 3.32Å; H64-K66 PolarHBondContact O-N 3.5Å; K66-R70 WeakPolarHBondContact O-CD 3.5Å; K66-R70 WeakPolarHBondContact O-CG 3.34Å |
| 67 | G | 72.1 | Confident | 77.3 | Confident | 5 Ų | 5 | 72.4 Ų | 72.4 | 5% | 0.052 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | K63 H64 L69 R70 R71 E104 | K63-G67 PolarHBondContact O-N 2.91Å; H64-G67 PolarHBondContact O-N 3.1Å; H64-G67 VanDerWaalsContact O-N 3.08Å; G67-L69 PolarHBondContact O-N 3.08Å; G67-R70 CarbonylContact O-C 3.49Å; G67-R70 WeakPolarHBondContact O-CA 3.43Å; G67-R70 WeakPolarHBondContact O-CB 3.25Å; G67-R70 PolarHBondContact O-N 3.2Å; G67-R71 PolarHBondContact O-N 3.06Å; G67-E104 WeakPolarHBondContact CA-OE1 3.44Å |
| 68 | I | 72 | Confident | 79.5 | Confident | 26 Ų | 26 | 71 Ų | 71 | 13% | 0.133 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.4 | -46.2 | 178 | -67.8 | 163 | 0 | 0 | 0 | 112.3 | H64 L65 R70 R71 Y209 I212 | H64-I68 VanDerWaalsContact O-CG1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.42Å; H64-I68 PolarHBondContact O-N 2.95Å; L65-I68 PolarHBondContact O-N 3.3Å; I68-R70 PolarHBondContact O-N 3.33Å; I68-R71 WeakPolarHBondContact O-CB 3.15Å; I68-R71 PolarHBondContact O-N 3.04Å; I68-Y209 HydrophobicContact CG2-CD1 4.37Å; I68-Y209 HydrophobicContact CG2-CE1 3.77Å; I68-I212 HydrophobicContact CD1-CB 3.9Å; I68-I212 HydrophobicContact CD1-CD1 3.26Å; I68-I212 HydrophobicContact CD1-CG1 3.57Å; I68-I212 HydrophobicContact CD1-CG2 3.23Å; I68-I212 HydrophobicContact CG1-CD1 3.68Å; I68-I212 HydrophobicContact CG1-CG1 4.48Å |
| 69 | L | 78.3 | Confident | 81.5 | Confident | 119 Ų | 119 | 67.2 Ų | 67.2 | 62% | 0.623 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -14.6 | 178 | -66.2 | 173.2 | 0 | 0 | 0 | 112.9 | L65 G67 R72 | L65-L69 WeakPolarHBondContact O-CG 3.37Å; L65-L69 PolarHBondContact O-N 3.34Å; G67-L69 PolarHBondContact O-N 3.08Å; L69-R72 PolarHBondContact O-NH1 3.37Å; L69-R72 PolarHBondContact O-NH2 3.36Å |
| 70 | R | 87.3 | Confident | 83.3 | Confident | 113 Ų | 113 | 62.5 Ų | 62.5 | 43% | 0.426 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.7 | 8.2 | 178.6 | -62.5 | 174.7 | 176.6 | -168.4 | -4.5 | 113.2 | K66 G67 I68 F105 | K66-R70 WeakPolarHBondContact O-CD 3.5Å; K66-R70 WeakPolarHBondContact O-CG 3.34Å; G67-R70 CarbonylContact O-C 3.49Å; G67-R70 WeakPolarHBondContact O-CA 3.43Å; G67-R70 WeakPolarHBondContact O-CB 3.25Å; G67-R70 PolarHBondContact O-N 3.2Å; I68-R70 PolarHBondContact O-N 3.33Å; R70-F105 WeakPolarHBondContact CB-O 3.32Å; R70-F105 WeakPolarHBondContact CD-O 3.42Å; R70-F105 PolarHBondContact O-N 3.36Å; R70-F105 VanDerWaalsContact O-N 3.13Å |
| 71 | R | 95.4 | Very high | 85.2 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 128.4 | 171.8 | -68.6 | 177.2 | 178.5 | -173.9 | -4.6 | 110.5 | G67 I68 I102 L103 V118 V200 L208 Y209 | G67-R71 PolarHBondContact O-N 3.06Å; I68-R71 WeakPolarHBondContact O-CB 3.15Å; I68-R71 PolarHBondContact O-N 3.04Å; R71-I102 HydrophobicContact CB-CG2 4.46Å; R71-L103 CarbonylContact C-O 3.53Å; R71-L103 VanDerWaalsContact CA-O 3.24Å; R71-L103 WeakPolarHBondContact CA-O 3.45Å; R71-V118 HydrophobicContact CG-CG2 4.04Å; R71-V200 HydrophobicContact CB-CG2 4.32Å; R71-L208 PolarHBondContact NH1-O 2.99Å; R71-L208 PolarHBondContact NH2-O 3.22Å; R71-Y209 VanDerWaalsContact CD-OH 3.25Å; R71-Y209 WeakPolarHBondContact CD-OH 3.42Å; R71-Y209 VanDerWaalsContact NH1-CD1 3.33Å; R71-Y209 VanDerWaalsContact NH1-CZ 3.29Å |
| 72 | R | 97.3 | Very high | 86.9 | Confident | 89 Ų | 89 | 55.2 Ų | 55.2 | 34% | 0.336 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 161.6 | -178.7 | -63.3 | -64.1 | -179.7 | -81.8 | -2.8 | 109.4 | L69 L103 F105 P197 R198 | L69-R72 PolarHBondContact O-NH1 3.37Å; L69-R72 PolarHBondContact O-NH2 3.36Å; R72-L103 PolarHBondContact N-O 2.94Å; R72-L103 PolarHBondContact O-N 3.07Å; R72-L103 VanDerWaalsContact O-O 3.13Å; R72-F105 HydrophobicContact CB-CD2 4.03Å; R72-F105 HydrophobicContact CB-CE2 3.9Å; R72-F105 HydrophobicContact CG-CD2 4.23Å; R72-F105 HydrophobicContact CG-CE2 4.46Å; R72-P197 HydrophobicContact CG-CB 4.37Å; R72-R198 CarbonylContact C-O 3.47Å; R72-R198 VanDerWaalsContact CA-O 3.28Å; R72-R198 WeakPolarHBondContact CA-O 3.23Å; R72-R198 WeakPolarHBondContact CD-O 3.45Å |
| 73 | Q | 98.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.6 | 142.7 | 159.6 | -43.7 | 173.7 | 63.4 | 0 | 0 | 107.8 | H81 H97 I102 R198 P199 V200 | Q73-H81 PolarHBondContact OE1-CD2 2.99Å; Q73-H81 PolarHBondContact OE1-NE2 3.42Å; Q73-H97 PolarHBondContact NE2-CE1 2.93Å; Q73-H97 PolarHBondContact NE2-ND1 2.85Å; Q73-H97 PolarHBondContact NE2-NE2 3.2Å; Q73-I102 HydrophobicContact CG-CD1 3.95Å; Q73-R198 HydrophobicContact CB-CB 4.36Å; Q73-R198 PolarHBondContact N-O 3.19Å; Q73-R198 PolarHBondContact O-N 2.9Å; Q73-P199 PolarHBondContact NE2-O 3.1Å; Q73-V200 HydrophobicContact CG-CG2 3.87Å |
| 74 | L | 98.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 94.2 | -177.3 | -160.5 | 59.3 | 0 | 0 | 0 | 110.9 | C76 H81 L82 L103 F105 I115 Y156 F195 P197 | L74-C76 PolarHBondContact O-N 3.1Å; L74-H81 WeakPolarHBondContact O-CA 3.24Å; L74-L82 HydrophobicContact CB-CB 4.25Å; L74-L82 HydrophobicContact CD2-CD2 4.42Å; L74-L82 PolarHBondContact O-N 3.04Å; L74-L103 HydrophobicContact CB-CD1 3.71Å; L74-F105 HydrophobicContact CD1-CZ 3.77Å; L74-F105 HydrophobicContact CD2-CZ 4.25Å; L74-F105 HydrophobicContact CG-CZ 4.47Å; L74-I115 HydrophobicContact CD2-CD1 3.98Å; L74-Y156 HydrophobicContact CD1-CE2 3.76Å; L74-Y156 HydrophobicContact CD2-CD2 4.19Å; L74-Y156 HydrophobicContact CD2-CE2 3.98Å; L74-Y156 HydrophobicContact CG-CE2 4.34Å; L74-F195 HydrophobicContact CD1-CB 3.76Å; L74-F195 HydrophobicContact CD2-CB 4.33Å; L74-F195 HydrophobicContact CD2-CD1 4.11Å; L74-F195 HydrophobicContact CD2-CG 4.28Å; L74-F195 HydrophobicContact CG-CB 3.77Å; L74-F195 HydrophobicContact CG-CD1 3.71Å; L74-F195 HydrophobicContact CG-CG 4Å; L74-P197 HydrophobicContact CD1-CG 4.14Å |
| 75 | Y | 98.6 | Very high | 91.6 | Very high | 66 Ų | 66 | 40.2 Ų | 40.2 | 26% | 0.259 | 18% | 0.182 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 109.9 | -174.5 | 175.7 | -99.9 | 0 | 0 | 0 | 111.6 | G79 F80 H81 F195 L196 | Y75-G79 WeakPolarHBondContact OH-CA 3.14Å; Y75-F80 CarbonylContact C-O 3.58Å; Y75-H81 AromaticContact CD2-CE1 3.9Å; Y75-F195 CarbonylContact O-C 3.58Å; Y75-F195 VanDerWaalsContact O-CA 3.31Å; Y75-F195 WeakPolarHBondContact O-CA 3.3Å; Y75-L196 HydrophobicContact CD1-CB 4.36Å; Y75-L196 PolarHBondContact N-O 2.75Å; Y75-L196 PolarHBondContact O-N 3.41Å |
| 76 | C | 98.7 | Very high | 93.1 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 142.3 | 171.7 | -166.5 | 0 | 0 | 0 | 0 | 111.1 | L74 T78 G79 F80 L174 F192 H194 F195 | L74-C76 PolarHBondContact O-N 3.1Å; C76-T78 PolarHBondContact O-N 2.6Å; C76-T78 PolarHBondContact SG-OG1 2.97Å; C76-G79 PolarHBondContact O-N 3.32Å; C76-F80 WeakPolarHBondContact CB-O 3.48Å; C76-F80 PolarHBondContact N-O 3.13Å; C76-L174 HydrophobicContact CB-CB 4.22Å; C76-L174 HydrophobicContact CB-CD1 4.05Å; C76-F192 PolarHBondContact SG-O 3Å; C76-H194 CarbonylContact C-O 3.55Å; C76-H194 WeakPolarHBondContact CA-O 3.32Å; C76-F195 HydrophobicContact CB-CD1 3.7Å; C76-F195 HydrophobicContact CB-CE1 3.45Å; C76-F195 VanDerWaalsContact CB-CE1 3.45Å; C76-F195 HydrophobicContact CB-CZ 4.02Å |
| 77 | R | 97.9 | Very high | 94.4 | Very high | 113 Ų | 113 | 40 Ų | 40 | 43% | 0.426 | 19% | 0.192 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -15.3 | 175.4 | -167.7 | 69.9 | -172.2 | -148.3 | 3.8 | 113.4 | G79 Y153 K191 H194 | R77-G79 PolarHBondContact O-N 2.82Å; R77-Y153 HydrophobicContact CB-CD1 4.27Å; R77-Y153 HydrophobicContact CB-CE1 3.77Å; R77-Y153 WeakPolarHBondContact CD-OH 3.32Å; R77-Y153 HydrophobicContact CG-CE1 4.27Å; R77-Y153 PolarHBondContact NH1-OH 3.5Å; R77-K191 HydrophobicContact CB-CB 4.4Å; R77-K191 WeakPolarHBondContact CB-O 3.35Å; R77-K191 HydrophobicContact CG-CB 4.2Å; R77-K191 HydrophobicContact CG-CG 4.42Å; R77-H194 HydrophobicContact CB-CB 3.93Å; R77-H194 PolarHBondContact N-O 3.42Å |
| 78 | T | 98.3 | Very high | 95.6 | Very high | 25 Ų | 25 | 40.5 Ų | 40.5 | 15% | 0.153 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -8 | 172.2 | 54.4 | 0 | 0 | 0 | 0 | 113.9 | C76 L174 N175 K176 F192 | C76-T78 PolarHBondContact O-N 2.6Å; C76-T78 PolarHBondContact SG-OG1 2.97Å; T78-L174 WeakPolarHBondContact CG2-O 3.28Å; T78-L174 PolarHBondContact OG1-O 3.37Å; T78-N175 PolarHBondContact OG1-O 2.76Å; T78-K176 HydrophobicContact CG2-CG 4.31Å; T78-F192 HydrophobicContact CG2-CB 3.85Å |
| 79 | G | 98.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 42.2 Ų | 42.2 | 11% | 0.113 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 102.1 | 21.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y75 C76 R77 R94 | Y75-G79 WeakPolarHBondContact OH-CA 3.14Å; C76-G79 PolarHBondContact O-N 3.32Å; R77-G79 PolarHBondContact O-N 2.82Å; G79-R94 PolarHBondContact O-NH1 2.97Å |
| 80 | F | 98.9 | Very high | 97.9 | Very high | 13 Ų | 13 | 36.7 Ų | 36.7 | 6% | 0.057 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 144.5 | -176.3 | -60.6 | -97.4 | 0 | 0 | 0 | 111.2 | Y75 C76 T93 R94 L174 K176 D177 | Y75-F80 CarbonylContact C-O 3.58Å; C76-F80 WeakPolarHBondContact CB-O 3.48Å; C76-F80 PolarHBondContact N-O 3.13Å; F80-T93 CarbonylContact C-O 3.56Å; F80-T93 WeakPolarHBondContact CA-O 3.4Å; F80-R94 HydrophobicContact CD1-CG 3.8Å; F80-R94 HydrophobicContact CE1-CG 3.68Å; F80-R94 HydrophobicContact CZ-CG 4.31Å; F80-R94 VanDerWaalsContact CZ-CZ 3.5Å; F80-R94 VanDerWaalsContact CZ-NH2 3.31Å; F80-L174 HydrophobicContact CB-CD1 4.06Å; F80-K176 WeakPolarHBondContact CE2-O 3.47Å; F80-K176 WeakPolarHBondContact CZ-O 3.34Å; F80-D177 VanDerWaalsContact CZ-C 3.41Å |
| 81 | H | 98.9 | Very high | 98.4 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 2% | 0.019 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.4 | 134.6 | 167 | -58.1 | 83.8 | 0 | 0 | 0 | 109.9 | Q73 L74 Y75 G92 T93 D96 R198 | Q73-H81 PolarHBondContact OE1-CD2 2.99Å; Q73-H81 PolarHBondContact OE1-NE2 3.42Å; L74-H81 WeakPolarHBondContact O-CA 3.24Å; Y75-H81 AromaticContact CD2-CE1 3.9Å; H81-G92 CarbonylContact O-C 3.55Å; H81-G92 VanDerWaalsContact O-CA 3.31Å; H81-G92 WeakPolarHBondContact O-CA 3.49Å; H81-T93 HydrophobicContact CB-CG2 4.22Å; H81-T93 PolarHBondContact N-O 2.76Å; H81-T93 PolarHBondContact O-N 3.13Å; H81-D96 IonicContact CE1-OD1 2.74Å; H81-D96 IonicContact NE2-OD1 3.32Å; H81-D96 PolarHBondContact NE2-OD1 3.48Å; H81-R198 PolarHBondContact CE1-NH1 3.22Å; H81-R198 PolarHBondContact NE2-NH1 2.85Å |
| 82 | L | 98.9 | Very high | 98.6 | Very high | 0 Ų | 0 | 34.3 Ų | 34.3 | 0% | 0 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 131.7 | 173.6 | -169.4 | 94.2 | 0 | 0 | 0 | 110.2 | L74 V90 G101 L103 L124 V172 L174 F195 | L74-L82 HydrophobicContact CB-CB 4.25Å; L74-L82 HydrophobicContact CD2-CD2 4.42Å; L74-L82 PolarHBondContact O-N 3.04Å; L82-V90 HydrophobicContact CD1-CG1 3.74Å; L82-V90 HydrophobicContact CG-CG1 4.22Å; L82-G101 WeakPolarHBondContact O-CA 3.46Å; L82-L103 HydrophobicContact CB-CD1 4.42Å; L82-L103 HydrophobicContact CD2-CD1 4.08Å; L82-L124 HydrophobicContact CD2-CD1 4.27Å; L82-L124 HydrophobicContact CD2-CD2 3.88Å; L82-V172 HydrophobicContact CD1-CG1 4.42Å; L82-L174 HydrophobicContact CB-CD1 4.43Å; L82-L174 HydrophobicContact CD1-CD1 4.18Å; L82-L174 HydrophobicContact CD1-CD2 4.02Å; L82-L174 HydrophobicContact CD1-CG 4.15Å; L82-F195 HydrophobicContact CD1-CE1 4.45Å |
| 83 | E | 98.9 | Very high | 98.7 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 3% | 0.033 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 146.8 | 171.8 | -60.8 | -168.8 | 116.4 | 0 | 0 | 111.1 | L85 V90 Q91 T93 S98 H100 | E83-L85 HydrophobicContact CB-CD2 4.41Å; E83-V90 WeakPolarHBondContact O-CA 3.27Å; E83-Q91 HydrophobicContact CB-CG 4Å; E83-Q91 PolarHBondContact N-O 3.35Å; E83-Q91 PolarHBondContact O-N 3.07Å; E83-Q91 VanDerWaalsContact O-N 3.13Å; E83-Q91 PolarHBondContact OE2-NE2 3.26Å; E83-T93 HydrophobicContact CG-CG2 3.58Å; E83-T93 WeakPolarHBondContact OE2-CB 3.37Å; E83-S98 WeakPolarHBondContact OE1-CB 3.28Å; E83-S98 PolarHBondContact OE1-OG 2.9Å; E83-H100 WeakPolarHBondContact CA-O 3.34Å; E83-H100 HydrophobicContact CB-CB 4.07Å; E83-H100 HydrophobicContact CG-CB 4.37Å |
| 84 | I | 98.9 | Very high | 98.7 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 104.8 | 170.8 | -51.6 | 172.7 | 0 | 0 | 0 | 107.3 | H100 L103 S120 L122 L124 | I84-H100 PolarHBondContact N-O 3.37Å; I84-L103 HydrophobicContact CD1-CD2 3.94Å; I84-L103 HydrophobicContact CG1-CD2 4.15Å; I84-S120 WeakPolarHBondContact O-CB 3.38Å; I84-S120 PolarHBondContact O-OG 2.98Å; I84-L122 HydrophobicContact CG2-CB 3.9Å; I84-L122 HydrophobicContact CG2-CD1 4.48Å; I84-L124 HydrophobicContact CD1-CB 3.87Å |
| 85 | L | 98.8 | Very high | 98.7 | Very high | 28 Ų | 28 | 45.7 Ų | 45.7 | 15% | 0.147 | 23% | 0.228 | C | C | . | . | trans | -78.4 | 159 | -175.9 | -60.1 | -171.3 | 0 | 0 | 0 | 111.9 | E83 D87 G88 T89 Q91 H100 L122 | E83-L85 HydrophobicContact CB-CD2 4.41Å; L85-D87 WeakPolarHBondContact CB-OD1 2.92Å; L85-D87 PolarHBondContact O-N 3.28Å; L85-G88 PolarHBondContact O-N 2.77Å; L85-G88 VanDerWaalsContact O-N 3.07Å; L85-T89 WeakPolarHBondContact CB-O 3.41Å; L85-T89 HydrophobicContact CD1-CG2 4.43Å; L85-T89 PolarHBondContact N-O 3.21Å; L85-Q91 HydrophobicContact CD1-CG 4.45Å; L85-Q91 HydrophobicContact CG-CG 4.46Å; L85-H100 HydrophobicContact CD2-CB 3.76Å; L85-H100 VanDerWaalsContact CD2-CD2 3.46Å; L85-H100 WeakPolarHBondContact CD2-CD2 3.41Å; L85-L122 WeakPolarHBondContact O-CD1 3.27Å | ||
| 86 | P | 98.6 | Very high | 98.7 | Very high | 84 Ų | 84 | 44.3 Ų | 44.3 | 55% | 0.545 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -22.1 | 179.9 | -24.3 | 35.4 | 0 | 0 | 0 | 115.1 | G88 | P86-G88 PolarHBondContact O-N 2.94Š|
| 87 | D | 98.5 | Very high | 98.6 | Very high | 116 Ų | 116 | 45.2 Ų | 45.2 | 62% | 0.62 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -0.5 | 175.8 | 69.5 | -17.7 | 0 | 0 | 0 | 113.1 | L85 T89 | L85-D87 WeakPolarHBondContact CB-OD1 2.92Å; L85-D87 PolarHBondContact O-N 3.28Å; D87-T89 VanDerWaalsContact CG-OG1 3.27Å; D87-T89 WeakPolarHBondContact OD1-CB 3.29Å; D87-T89 PolarHBondContact OD1-N 3.41Å; D87-T89 PolarHBondContact OD1-OG1 3.18Å; D87-T89 PolarHBondContact OD2-OG1 2.81Å |
| 88 | G | 98.6 | Very high | 98.7 | Very high | 15 Ų | 15 | 40.4 Ų | 40.4 | 16% | 0.155 | 21% | 0.213 | C | C | . | . | S | Bend | trans | 87.3 | -0.6 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | L85 P86 Y133 G134 | L85-G88 PolarHBondContact O-N 2.77Å; L85-G88 VanDerWaalsContact O-N 3.07Å; P86-G88 PolarHBondContact O-N 2.94Å; G88-Y133 CarbonylContact O-C 3.55Å; G88-G134 PolarHBondContact O-N 2.71Å |
| 89 | T | 98.8 | Very high | 98.6 | Very high | 62 Ų | 62 | 45.8 Ų | 45.8 | 38% | 0.38 | 23% | 0.23 | S | C | . | . | trans | -71.9 | 136.1 | 176.2 | -60.4 | 0 | 0 | 0 | 0 | 110.7 | L85 D87 | L85-T89 WeakPolarHBondContact CB-O 3.41Å; L85-T89 HydrophobicContact CD1-CG2 4.43Å; L85-T89 PolarHBondContact N-O 3.21Å; D87-T89 VanDerWaalsContact CG-OG1 3.27Å; D87-T89 WeakPolarHBondContact OD1-CB 3.29Å; D87-T89 PolarHBondContact OD1-N 3.41Å; D87-T89 PolarHBondContact OD1-OG1 3.18Å; D87-T89 PolarHBondContact OD2-OG1 2.81Å | ||
| 90 | V | 98.9 | Very high | 98.6 | Very high | 3 Ų | 3 | 47.4 Ų | 47.4 | 2% | 0.018 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 131.2 | 171.9 | 176.4 | 0 | 0 | 0 | 0 | 109.3 | L82 E83 L124 L132 P180 | L82-V90 HydrophobicContact CD1-CG1 3.74Å; L82-V90 HydrophobicContact CG-CG1 4.22Å; E83-V90 WeakPolarHBondContact O-CA 3.27Å; V90-L124 HydrophobicContact CG1-CD1 4.1Å; V90-L124 HydrophobicContact CG2-CD1 3.75Å; V90-L132 HydrophobicContact CB-CB 4Å; V90-L132 HydrophobicContact CG1-CB 3.98Å; V90-L132 HydrophobicContact CG1-CD1 4.14Å; V90-L132 HydrophobicContact CG2-CB 4.23Å; V90-P180 WeakPolarHBondContact O-CD 3.15Å; V90-P180 VanDerWaalsContact O-CG 3.25Å; V90-P180 WeakPolarHBondContact O-CG 3.48Å |
| 91 | Q | 98.8 | Very high | 98.6 | Very high | 71 Ų | 71 | 46.8 Ų | 46.8 | 33% | 0.332 | 23% | 0.232 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 179.7 | -179.5 | 68.4 | 177.6 | 7.3 | 0 | 0 | 112.3 | E83 L85 | E83-Q91 HydrophobicContact CB-CG 4Å; E83-Q91 PolarHBondContact N-O 3.35Å; E83-Q91 PolarHBondContact O-N 3.07Å; E83-Q91 VanDerWaalsContact O-N 3.13Å; E83-Q91 PolarHBondContact OE2-NE2 3.26Å; L85-Q91 HydrophobicContact CD1-CG 4.45Å; L85-Q91 HydrophobicContact CG-CG 4.46Å |
| 92 | G | 98.8 | Very high | 98.6 | Very high | 14 Ų | 14 | 46.6 Ų | 46.6 | 14% | 0.144 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 136.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | H81 G178 | H81-G92 CarbonylContact O-C 3.55Å; H81-G92 VanDerWaalsContact O-CA 3.31Å; H81-G92 WeakPolarHBondContact O-CA 3.49Å; G92-G178 VanDerWaalsContact CA-O 3.23Å; G92-G178 WeakPolarHBondContact CA-O 3.35Å; G92-G178 PolarHBondContact N-O 2.78Å |
| 93 | T | 98.8 | Very high | 98.6 | Very high | 27 Ų | 27 | 46.6 Ų | 46.6 | 17% | 0.166 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 150.2 | 173.4 | -173.1 | 0 | 0 | 0 | 0 | 111.7 | F80 H81 E83 K95 | F80-T93 CarbonylContact C-O 3.56Å; F80-T93 WeakPolarHBondContact CA-O 3.4Å; H81-T93 HydrophobicContact CB-CG2 4.22Å; H81-T93 PolarHBondContact N-O 2.76Å; H81-T93 PolarHBondContact O-N 3.13Å; E83-T93 HydrophobicContact CG-CG2 3.58Å; E83-T93 WeakPolarHBondContact OE2-CB 3.37Å; T93-K95 VanDerWaalsContact C-N 3.3Å; T93-K95 HydrophobicContact CG2-CB 4.37Å; T93-K95 WeakPolarHBondContact OG1-CB 3.42Å; T93-K95 PolarHBondContact OG1-N 3.39Å |
| 94 | R | 98.7 | Very high | 98.5 | Very high | 163 Ų | 163 | 48.6 Ų | 48.6 | 62% | 0.615 | 24% | 0.24 | S | C | * | . | trans | -84.2 | -10.6 | 170.1 | -62.1 | -172.3 | 177.9 | -78.9 | 2.7 | 112.6 | G79 F80 D96 | G79-R94 PolarHBondContact O-NH1 2.97Å; F80-R94 HydrophobicContact CD1-CG 3.8Å; F80-R94 HydrophobicContact CE1-CG 3.68Å; F80-R94 HydrophobicContact CZ-CG 4.31Å; F80-R94 VanDerWaalsContact CZ-CZ 3.5Å; F80-R94 VanDerWaalsContact CZ-NH2 3.31Å; R94-D96 PolarHBondContact O-N 2.92Å | ||
| 95 | K | 98.6 | Very high | 98.4 | Very high | 137 Ų | 137 | 49.6 Ų | 49.6 | 60% | 0.596 | 25% | 0.245 | S | C | * | . | trans | -73.4 | 110.6 | -175.7 | -176.5 | 178.8 | 177.9 | -179.5 | 0 | 110 | T93 S98 | T93-K95 VanDerWaalsContact C-N 3.3Å; T93-K95 HydrophobicContact CG2-CB 4.37Å; T93-K95 WeakPolarHBondContact OG1-CB 3.42Å; T93-K95 PolarHBondContact OG1-N 3.39Å; K95-S98 PolarHBondContact O-N 3.26Å | ||
| 96 | D | 98.4 | Very high | 98.2 | Very high | 37 Ų | 37 | 50 Ų | 50 | 20% | 0.198 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.5 | 136.2 | 170.1 | -169.9 | 65.7 | 0 | 0 | 0 | 110.6 | H81 R94 S98 R198 R204 | H81-D96 IonicContact CE1-OD1 2.74Å; H81-D96 IonicContact NE2-OD1 3.32Å; H81-D96 PolarHBondContact NE2-OD1 3.48Å; R94-D96 PolarHBondContact O-N 2.92Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 2.95Å; D96-R198 IonicContact OD1-CZ 2.71Å; D96-R198 VanDerWaalsContact OD1-CZ 3.23Å; D96-R198 IonicContact OD1-NH1 3.92Å; D96-R198 PolarHBondContact OD1-NH1 3.46Å; D96-R198 IonicContact OD1-NH2 3.96Å; D96-R198 PolarHBondContact OD1-NH2 2.92Å; D96-R204 PolarHBondContact O-NH2 3.16Å; D96-R204 IonicContact OD2-CZ 3.19Å; D96-R204 IonicContact OD2-NH1 2.77Å; D96-R204 PolarHBondContact OD2-NH1 3.18Å; D96-R204 IonicContact OD2-NH2 2.81Å; D96-R204 PolarHBondContact OD2-NH2 3.36Å |
| 97 | H | 98.3 | Very high | 98.1 | Very high | 19 Ų | 19 | 49.6 Ų | 49.6 | 9% | 0.088 | 25% | 0.246 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 38.6 | -172.8 | -64.4 | 77.9 | 0 | 0 | 0 | 113.1 | Q73 D201 R204 V205 | Q73-H97 PolarHBondContact NE2-CE1 2.93Å; Q73-H97 PolarHBondContact NE2-ND1 2.85Å; Q73-H97 PolarHBondContact NE2-NE2 3.2Å; H97-D201 PolarHBondContact NE2-N 3.28Å; H97-R204 HydrophobicContact CB-CB 4.05Å; H97-R204 PolarHBondContact ND1-NH1 2.82Å; H97-V205 HydrophobicContact CB-CG1 4.14Å; H97-V205 WeakPolarHBondContact O-CG1 3.47Å |
| 98 | S | 98.3 | Very high | 97.9 | Very high | 12 Ų | 12 | 47.7 Ų | 47.7 | 8% | 0.084 | 24% | 0.235 | C | C | . | . | trans | -62 | 141.6 | 168.6 | -167.8 | 0 | 0 | 0 | 0 | 110.8 | E83 K95 D96 H100 G101 I102 | E83-S98 WeakPolarHBondContact OE1-CB 3.28Å; E83-S98 PolarHBondContact OE1-OG 2.9Å; K95-S98 PolarHBondContact O-N 3.26Å; D96-S98 VanDerWaalsContact C-N 3.27Å; D96-S98 PolarHBondContact O-N 2.95Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 2.68Å; S98-G101 PolarHBondContact O-N 3.33Å; S98-I102 PolarHBondContact O-N 2.78Å | ||
| 99 | R | 97.6 | Very high | 97.7 | Very high | 138 Ų | 138 | 49.3 Ų | 49.3 | 52% | 0.521 | 25% | 0.247 | S | C | . | . | G | 310 helix | trans | -53.8 | -45.1 | -177.3 | -179.1 | 178 | 176.4 | -179.4 | -4.4 | 112.1 | G101 D119 | R99-G101 VanDerWaalsContact C-N 3.33Å; R99-D119 HydrophobicContact CG-CB 4.18Å; R99-D119 IonicContact CZ-OD1 3.23Å; R99-D119 IonicContact CZ-OD2 2.9Å; R99-D119 VanDerWaalsContact NE-CG 3.29Å; R99-D119 IonicContact NE-OD1 2.74Å; R99-D119 PolarHBondContact NE-OD1 2.87Å; R99-D119 IonicContact NE-OD2 2.6Å; R99-D119 PolarHBondContact NE-OD2 3.36Å; R99-D119 IonicContact NH2-OD1 3.01Å; R99-D119 PolarHBondContact NH2-OD1 3.18Å; R99-D119 IonicContact NH2-OD2 3.05Å |
| 100 | H | 98.5 | Very high | 97.6 | Very high | 46 Ų | 46 | 53.7 Ų | 53.7 | 21% | 0.213 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -86.9 | -4.2 | -179.3 | -50.9 | -59.2 | 0 | 0 | 0 | 113.6 | E83 I84 L85 S98 D119 | E83-H100 WeakPolarHBondContact CA-O 3.34Å; E83-H100 HydrophobicContact CB-CB 4.07Å; E83-H100 HydrophobicContact CG-CB 4.37Å; I84-H100 PolarHBondContact N-O 3.37Å; L85-H100 HydrophobicContact CD2-CB 3.76Å; L85-H100 VanDerWaalsContact CD2-CD2 3.46Å; L85-H100 WeakPolarHBondContact CD2-CD2 3.41Å; S98-H100 VanDerWaalsContact C-N 3.29Å; S98-H100 PolarHBondContact O-N 2.68Å; H100-D119 IonicContact CE1-OD2 3.43Å; H100-D119 PolarHBondContact CE1-OD2 2.66Å; H100-D119 IonicContact ND1-OD2 3.7Å; H100-D119 PolarHBondContact ND1-OD2 2.87Å |
| 101 | G | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | G | 310 helix | trans | -94.1 | 2.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | L82 S98 R99 | L82-G101 WeakPolarHBondContact O-CA 3.46Å; S98-G101 PolarHBondContact O-N 3.33Å; R99-G101 VanDerWaalsContact C-N 3.33Å |
| 102 | I | 98.4 | Very high | 97.4 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | trans | -87.4 | 116.2 | 172.6 | -52.2 | -48.1 | 0 | 0 | 0 | 108.7 | R71 Q73 S98 V118 V200 V205 L208 | R71-I102 HydrophobicContact CB-CG2 4.46Å; Q73-I102 HydrophobicContact CG-CD1 3.95Å; S98-I102 PolarHBondContact O-N 2.78Å; I102-V118 HydrophobicContact CB-CB 4.48Å; I102-V118 HydrophobicContact CG2-CB 4.17Å; I102-V118 HydrophobicContact CG2-CG2 3.92Å; I102-V118 WeakPolarHBondContact O-CB 3.47Å; I102-V118 PolarHBondContact O-N 3.28Å; I102-V200 HydrophobicContact CD1-CG1 3.87Å; I102-V200 HydrophobicContact CD1-CG2 4.08Å; I102-V200 HydrophobicContact CG2-CG1 4.19Å; I102-V200 HydrophobicContact CG2-CG2 4.21Å; I102-V205 HydrophobicContact CD1-CG1 4.24Å; I102-V205 HydrophobicContact CD1-CG2 4.39Å; I102-V205 HydrophobicContact CG1-CB 4.48Å; I102-V205 HydrophobicContact CG1-CG1 4.07Å; I102-V205 HydrophobicContact CG1-CG2 4.25Å; I102-L208 HydrophobicContact CB-CD1 3.7Å; I102-L208 HydrophobicContact CG1-CD1 3.63Å; I102-L208 HydrophobicContact CG2-CD1 4.1Å | ||
| 103 | L | 98.4 | Very high | 97.3 | Very high | 0 Ų | 0 | 53.4 Ų | 53.4 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 137.8 | -170.3 | -51.8 | 174.3 | 0 | 0 | 0 | 110.4 | R71 R72 L74 L82 I84 F105 I115 K116 | R71-L103 CarbonylContact C-O 3.53Å; R71-L103 VanDerWaalsContact CA-O 3.24Å; R71-L103 WeakPolarHBondContact CA-O 3.45Å; R72-L103 PolarHBondContact N-O 2.94Å; R72-L103 PolarHBondContact O-N 3.07Å; R72-L103 VanDerWaalsContact O-O 3.13Å; L74-L103 HydrophobicContact CB-CD1 3.71Å; L82-L103 HydrophobicContact CB-CD1 4.42Å; L82-L103 HydrophobicContact CD2-CD1 4.08Å; I84-L103 HydrophobicContact CD1-CD2 3.94Å; I84-L103 HydrophobicContact CG1-CD2 4.15Å; L103-F105 HydrophobicContact CB-CE2 4.35Å; L103-I115 HydrophobicContact CB-CG2 3.85Å; L103-I115 HydrophobicContact CD1-CG2 3.86Å; L103-I115 HydrophobicContact CD2-CG2 4.43Å; L103-I115 HydrophobicContact CG-CG2 4.26Å; L103-K116 CarbonylContact C-O 3.51Å; L103-K116 VanDerWaalsContact CA-O 3.27Å; L103-K116 WeakPolarHBondContact CA-O 3.47Å |
| 104 | E | 97.6 | Very high | 97.3 | Very high | 48 Ų | 48 | 52.1 Ų | 52.1 | 22% | 0.224 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 126 | 171.8 | -176.5 | -179.7 | 169.8 | 0 | 0 | 110.4 | G67 I106 K116 V118 | G67-E104 WeakPolarHBondContact CA-OE1 3.44Å; E104-I106 HydrophobicContact CG-CG1 4.46Å; E104-K116 PolarHBondContact N-O 3.29Å; E104-K116 PolarHBondContact O-N 3.48Å; E104-V118 HydrophobicContact CB-CG2 4.09Å |
| 105 | F | 96 | Very high | 97.3 | Very high | 21 Ų | 21 | 44.4 Ų | 44.4 | 9% | 0.092 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 120.8 | 177.1 | -82.5 | -120.7 | 0 | 0 | 0 | 110.8 | R70 R72 L74 L103 I113 I115 Y156 | R70-F105 WeakPolarHBondContact CB-O 3.32Å; R70-F105 WeakPolarHBondContact CD-O 3.42Å; R70-F105 PolarHBondContact O-N 3.36Å; R70-F105 VanDerWaalsContact O-N 3.13Å; R72-F105 HydrophobicContact CB-CD2 4.03Å; R72-F105 HydrophobicContact CB-CE2 3.9Å; R72-F105 HydrophobicContact CG-CD2 4.23Å; R72-F105 HydrophobicContact CG-CE2 4.46Å; L74-F105 HydrophobicContact CD1-CZ 3.77Å; L74-F105 HydrophobicContact CD2-CZ 4.25Å; L74-F105 HydrophobicContact CG-CZ 4.47Å; L103-F105 HydrophobicContact CB-CE2 4.35Å; F105-I113 HydrophobicContact CD1-CD1 3.57Å; F105-I113 HydrophobicContact CE1-CD1 3.52Å; F105-I115 HydrophobicContact CE1-CD1 4.32Å; F105-I115 HydrophobicContact CE1-CG1 4.26Å; F105-I115 HydrophobicContact CE2-CG1 4.43Å; F105-I115 HydrophobicContact CE2-CG2 4.29Å; F105-I115 HydrophobicContact CZ-CD1 4.09Å; F105-I115 HydrophobicContact CZ-CG1 4.17Å; F105-Y156 HydrophobicContact CE1-CE1 4.07Å |
| 106 | I | 95.9 | Very high | 97.3 | Very high | 38 Ų | 38 | 40.5 Ų | 40.5 | 20% | 0.195 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 108 | -178.9 | -58.1 | 165.5 | 0 | 0 | 0 | 108.2 | E104 L108 I113 S114 K116 Y123 | E104-I106 HydrophobicContact CG-CG1 4.46Å; I106-L108 HydrophobicContact CG2-CD2 4.04Å; I106-L108 PolarHBondContact O-N 3.09Å; I106-I113 CarbonylContact O-C 3.48Å; I106-I113 VanDerWaalsContact O-CA 3.29Å; I106-I113 WeakPolarHBondContact O-CA 3.33Å; I106-S114 PolarHBondContact N-O 2.98Å; I106-S114 PolarHBondContact O-N 2.79Å; I106-K116 HydrophobicContact CD1-CB 4.2Å; I106-Y123 HydrophobicContact CD1-CD1 4.42Å; I106-Y123 HydrophobicContact CD1-CE1 3.71Å |
| 107 | S | 94.9 | Very high | 97.3 | Very high | 74 Ų | 74 | 38.8 Ų | 38.8 | 52% | 0.517 | 22% | 0.216 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 116.6 | 174.7 | 179.7 | 0 | 0 | 0 | 0 | 110.1 | ||
| 108 | L | 95.3 | Very high | 97.3 | Very high | 77 Ų | 77 | 39.3 Ų | 39.3 | 40% | 0.403 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.6 | -42.4 | 179.2 | -62.1 | 178.7 | 0 | 0 | 0 | 112 | I106 L112 S114 L138 V143 | I106-L108 HydrophobicContact CG2-CD2 4.04Å; I106-L108 PolarHBondContact O-N 3.09Å; L108-L112 HydrophobicContact CB-CB 4.46Å; L108-L112 PolarHBondContact N-O 3.38Å; L108-S114 WeakPolarHBondContact CD1-OG 3.4Å; L108-L138 HydrophobicContact CD2-CD2 4.4Å; L108-V143 HydrophobicContact CD1-CB 4.28Å; L108-V143 HydrophobicContact CD1-CG1 3.88Å; L108-V143 HydrophobicContact CD1-CG2 3.62Å |
| 109 | A | 95.4 | Very high | 97.2 | Very high | 49 Ų | 49 | 40.6 Ų | 40.6 | 41% | 0.405 | 23% | 0.226 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.1 | 178.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | G111 L112 | A109-G111 PolarHBondContact O-N 3.25Å; A109-L112 HydrophobicContact CB-CB 4.17Å; A109-L112 HydrophobicContact CB-CD1 4.2Å; A109-L112 HydrophobicContact CB-CG 4.4Å; A109-L112 PolarHBondContact N-O 3.15Å; A109-L112 PolarHBondContact O-N 2.67Å; A109-L112 VanDerWaalsContact O-O 3.07Å |
| 110 | V | 94.9 | Very high | 97.2 | Very high | 154 Ų | 154 | 35.1 Ų | 35.1 | 93% | 0.933 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | 117.8 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 109.8 | L112 | V110-L112 PolarHBondContact O-N 2.69Š|
| 111 | G | 95.2 | Very high | 97.2 | Very high | 36 Ų | 36 | 34.3 Ų | 34.3 | 37% | 0.371 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.4 | 6.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | A109 R145 E146 | A109-G111 PolarHBondContact O-N 3.25Å; G111-R145 CarbonylContact O-C 3.44Å; G111-R145 VanDerWaalsContact O-CA 3.3Å; G111-R145 WeakPolarHBondContact O-CA 3.27Å; G111-E146 PolarHBondContact O-N 3.21Å |
| 112 | L | 98.1 | Very high | 97.2 | Very high | 36 Ų | 36 | 35.1 Ų | 35.1 | 19% | 0.188 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 127 | 176 | -61.4 | -175.2 | 0 | 0 | 0 | 110.9 | L108 A109 V110 V143 F144 R145 N159 | L108-L112 HydrophobicContact CB-CB 4.46Å; L108-L112 PolarHBondContact N-O 3.38Å; A109-L112 HydrophobicContact CB-CB 4.17Å; A109-L112 HydrophobicContact CB-CD1 4.2Å; A109-L112 HydrophobicContact CB-CG 4.4Å; A109-L112 PolarHBondContact N-O 3.15Å; A109-L112 PolarHBondContact O-N 2.67Å; A109-L112 VanDerWaalsContact O-O 3.07Å; V110-L112 PolarHBondContact O-N 2.69Å; L112-V143 HydrophobicContact CB-CG1 4.32Å; L112-F144 WeakPolarHBondContact CA-O 3.35Å; L112-R145 HydrophobicContact CD2-CB 4.33Å; L112-R145 HydrophobicContact CD2-CG 3.37Å; L112-N159 HydrophobicContact CD2-CB 4.48Å |
| 113 | I | 98 | Very high | 97.2 | Very high | 9 Ų | 9 | 37.1 Ų | 37.1 | 5% | 0.046 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 160.9 | -178.1 | 68.2 | 161.7 | 0 | 0 | 0 | 111.8 | F105 I106 I115 F144 E146 Y156 | F105-I113 HydrophobicContact CD1-CD1 3.57Å; F105-I113 HydrophobicContact CE1-CD1 3.52Å; I106-I113 CarbonylContact O-C 3.48Å; I106-I113 VanDerWaalsContact O-CA 3.29Å; I106-I113 WeakPolarHBondContact O-CA 3.33Å; I113-I115 HydrophobicContact CD1-CD1 3.96Å; I113-I115 HydrophobicContact CD1-CG1 3.73Å; I113-I115 HydrophobicContact CG1-CG1 4.47Å; I113-F144 HydrophobicContact CG1-CB 4.41Å; I113-F144 PolarHBondContact N-O 3.34Å; I113-F144 PolarHBondContact O-N 3.23Å; I113-E146 HydrophobicContact CD1-CB 4.33Å; I113-E146 HydrophobicContact CG1-CB 4.29Å; I113-E146 HydrophobicContact CG2-CB 4.34Å; I113-Y156 HydrophobicContact CD1-CD1 3.7Å; I113-Y156 HydrophobicContact CD1-CE1 3.37Å; I113-Y156 HydrophobicContact CG1-CD1 4.34Å; I113-Y156 HydrophobicContact CG1-CE1 4.36Å |
| 114 | S | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 151.9 | 156.1 | -70.6 | 0 | 0 | 0 | 0 | 109.8 | I106 L108 L138 C142 | I106-S114 PolarHBondContact N-O 2.98Å; I106-S114 PolarHBondContact O-N 2.79Å; L108-S114 WeakPolarHBondContact CD1-OG 3.4Å; S114-L138 WeakPolarHBondContact OG-CD1 3.4Å; S114-C142 WeakPolarHBondContact CB-O 3.24Å; S114-C142 PolarHBondContact OG-O 3.06Å |
| 115 | I | 98.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 124 | -177.9 | -58.4 | 171.2 | 0 | 0 | 0 | 106.7 | L74 L103 F105 I113 Y123 L124 Y156 | L74-I115 HydrophobicContact CD2-CD1 3.98Å; L103-I115 HydrophobicContact CB-CG2 3.85Å; L103-I115 HydrophobicContact CD1-CG2 3.86Å; L103-I115 HydrophobicContact CD2-CG2 4.43Å; L103-I115 HydrophobicContact CG-CG2 4.26Å; F105-I115 HydrophobicContact CE1-CD1 4.32Å; F105-I115 HydrophobicContact CE1-CG1 4.26Å; F105-I115 HydrophobicContact CE2-CG1 4.43Å; F105-I115 HydrophobicContact CE2-CG2 4.29Å; F105-I115 HydrophobicContact CZ-CD1 4.09Å; F105-I115 HydrophobicContact CZ-CG1 4.17Å; I113-I115 HydrophobicContact CD1-CD1 3.96Å; I113-I115 HydrophobicContact CD1-CG1 3.73Å; I113-I115 HydrophobicContact CG1-CG1 4.47Å; I115-Y123 CarbonylContact O-C 3.52Å; I115-Y123 WeakPolarHBondContact O-CA 3.23Å; I115-L124 HydrophobicContact CB-CB 4.16Å; I115-L124 HydrophobicContact CD1-CD2 4.12Å; I115-L124 PolarHBondContact O-N 2.91Å; I115-Y156 HydrophobicContact CD1-CD1 4.42Å |
| 116 | K | 98.6 | Very high | 97.5 | Very high | 56 Ų | 56 | 33.8 Ų | 33.8 | 24% | 0.243 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 132.3 | -178.7 | -169.7 | -173.7 | -179.3 | -171.8 | 0 | 110.3 | L103 E104 I106 V118 G121 L122 Y123 | L103-K116 CarbonylContact C-O 3.51Å; L103-K116 VanDerWaalsContact CA-O 3.27Å; L103-K116 WeakPolarHBondContact CA-O 3.47Å; E104-K116 PolarHBondContact N-O 3.29Å; E104-K116 PolarHBondContact O-N 3.48Å; I106-K116 HydrophobicContact CD1-CB 4.2Å; K116-V118 PolarHBondContact O-N 2.94Å; K116-G121 WeakPolarHBondContact CE-O 3.24Å; K116-L122 CarbonylContact C-O 3.48Å; K116-L122 WeakPolarHBondContact CA-O 3.43Å; K116-Y123 HydrophobicContact CB-CD1 3.99Å; K116-Y123 HydrophobicContact CB-CE1 4.09Å; K116-Y123 HydrophobicContact CD-CD1 4.47Å; K116-Y123 HydrophobicContact CD-CE1 3.9Å; K116-Y123 HydrophobicContact CG-CD1 4.1Å; K116-Y123 HydrophobicContact CG-CE1 4.04Å; K116-Y123 HydrophobicContact CG-CG 4.48Å |
| 117 | G | 98.5 | Very high | 97.6 | Very high | 1 Ų | 1 | 33.4 Ų | 33.4 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 122.8 | 168.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | G121 L122 | G117-G121 VanDerWaalsContact O-CA 3.27Å; G117-G121 WeakPolarHBondContact O-CA 3.43Å; G117-G121 PolarHBondContact O-N 2.97Å; G117-L122 PolarHBondContact N-O 2.78Å |
| 118 | V | 97.1 | Very high | 97.8 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 18% | 0.176 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -44.4 | -178.3 | 173.5 | 0 | 0 | 0 | 0 | 110.5 | R71 I102 E104 K116 L208 | R71-V118 HydrophobicContact CG-CG2 4.04Å; I102-V118 HydrophobicContact CB-CB 4.48Å; I102-V118 HydrophobicContact CG2-CB 4.17Å; I102-V118 HydrophobicContact CG2-CG2 3.92Å; I102-V118 WeakPolarHBondContact O-CB 3.47Å; I102-V118 PolarHBondContact O-N 3.28Å; E104-V118 HydrophobicContact CB-CG2 4.09Å; K116-V118 PolarHBondContact O-N 2.94Å; V118-L208 HydrophobicContact CG1-CB 4.16Å; V118-L208 HydrophobicContact CG1-CD1 4.36Å; V118-L208 HydrophobicContact CG1-CD2 4.48Å |
| 119 | D | 97.3 | Very high | 97.9 | Very high | 39 Ų | 39 | 37 Ų | 37 | 21% | 0.209 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -49.4 | -178.7 | -176.6 | 71.5 | 0 | 0 | 0 | 113 | R99 H100 G121 L208 | R99-D119 HydrophobicContact CG-CB 4.18Å; R99-D119 IonicContact CZ-OD1 3.23Å; R99-D119 IonicContact CZ-OD2 2.9Å; R99-D119 VanDerWaalsContact NE-CG 3.29Å; R99-D119 IonicContact NE-OD1 2.74Å; R99-D119 PolarHBondContact NE-OD1 2.87Å; R99-D119 IonicContact NE-OD2 2.6Å; R99-D119 PolarHBondContact NE-OD2 3.36Å; R99-D119 IonicContact NH2-OD1 3.01Å; R99-D119 PolarHBondContact NH2-OD1 3.18Å; R99-D119 IonicContact NH2-OD2 3.05Å; H100-D119 IonicContact CE1-OD2 3.43Å; H100-D119 PolarHBondContact CE1-OD2 2.66Å; H100-D119 IonicContact ND1-OD2 3.7Å; H100-D119 PolarHBondContact ND1-OD2 2.87Å; D119-G121 VanDerWaalsContact C-N 3.32Å; D119-G121 PolarHBondContact O-N 2.83Å; D119-L208 HydrophobicContact CB-CD2 3.74Å |
| 120 | S | 98.3 | Very high | 98 | Very high | 23 Ų | 23 | 34.6 Ų | 34.6 | 16% | 0.161 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -75.1 | -22 | -178.2 | 53.9 | 0 | 0 | 0 | 0 | 113.2 | I84 L122 | I84-S120 WeakPolarHBondContact O-CB 3.38Å; I84-S120 PolarHBondContact O-OG 2.98Å; S120-L122 PolarHBondContact O-N 2.79Å |
| 121 | G | 97.7 | Very high | 98.2 | Very high | 29 Ų | 29 | 32.1 Ų | 32.1 | 30% | 0.299 | 18% | 0.175 | S | C | . | . | trans | 71.9 | -0.1 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | K116 G117 D119 | K116-G121 WeakPolarHBondContact CE-O 3.24Å; G117-G121 VanDerWaalsContact O-CA 3.27Å; G117-G121 WeakPolarHBondContact O-CA 3.43Å; G117-G121 PolarHBondContact O-N 2.97Å; D119-G121 VanDerWaalsContact C-N 3.32Å; D119-G121 PolarHBondContact O-N 2.83Å | ||
| 122 | L | 98.8 | Very high | 98.4 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 9% | 0.094 | 16% | 0.161 | C | C | . | . | P | Polyproline II helix | trans | -87.4 | 146.7 | -176.2 | -55.7 | -178.5 | 0 | 0 | 0 | 111.6 | I84 L85 K116 G117 S120 S135 E136 | I84-L122 HydrophobicContact CG2-CB 3.9Å; I84-L122 HydrophobicContact CG2-CD1 4.48Å; L85-L122 WeakPolarHBondContact O-CD1 3.27Å; K116-L122 CarbonylContact C-O 3.48Å; K116-L122 WeakPolarHBondContact CA-O 3.43Å; G117-L122 PolarHBondContact N-O 2.78Å; S120-L122 PolarHBondContact O-N 2.79Å; L122-S135 CarbonylContact C-O 3.55Å; L122-S135 WeakPolarHBondContact CA-O 3.3Å; L122-E136 HydrophobicContact CD2-CB 4.32Å; L122-E136 HydrophobicContact CD2-CG 3.79Å |
| 123 | Y | 98.9 | Very high | 98.4 | Very high | 41 Ų | 41 | 32.5 Ų | 32.5 | 16% | 0.161 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 138.3 | 171.6 | -60.2 | -89.4 | 0 | 0 | 0 | 110 | I106 I115 K116 G125 G134 S135 L138 | I106-Y123 HydrophobicContact CD1-CD1 4.42Å; I106-Y123 HydrophobicContact CD1-CE1 3.71Å; I115-Y123 CarbonylContact O-C 3.52Å; I115-Y123 WeakPolarHBondContact O-CA 3.23Å; K116-Y123 HydrophobicContact CB-CD1 3.99Å; K116-Y123 HydrophobicContact CB-CE1 4.09Å; K116-Y123 HydrophobicContact CD-CD1 4.47Å; K116-Y123 HydrophobicContact CD-CE1 3.9Å; K116-Y123 HydrophobicContact CG-CD1 4.1Å; K116-Y123 HydrophobicContact CG-CE1 4.04Å; K116-Y123 HydrophobicContact CG-CG 4.48Å; Y123-G125 PolarHBondContact O-N 3.07Å; Y123-G134 CarbonylContact O-C 3.56Å; Y123-G134 WeakPolarHBondContact O-CA 3.21Å; Y123-S135 PolarHBondContact N-O 3.3Å; Y123-S135 PolarHBondContact O-N 3.25Å; Y123-L138 HydrophobicContact CD1-CB 4.35Å; Y123-L138 HydrophobicContact CD1-CD1 3.96Å; Y123-L138 HydrophobicContact CD2-CB 4.31Å; Y123-L138 HydrophobicContact CE1-CB 4.11Å; Y123-L138 HydrophobicContact CE1-CD1 4.21Å; Y123-L138 HydrophobicContact CE2-CB 4.09Å; Y123-L138 HydrophobicContact CG-CB 4.44Å; Y123-L138 HydrophobicContact CG-CD1 4.43Å |
| 124 | L | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 125.5 | 166.8 | -176.6 | 63.9 | 0 | 0 | 0 | 108.4 | L82 I84 V90 I115 L132 C142 F144 V172 | L82-L124 HydrophobicContact CD2-CD1 4.27Å; L82-L124 HydrophobicContact CD2-CD2 3.88Å; I84-L124 HydrophobicContact CD1-CB 3.87Å; V90-L124 HydrophobicContact CG1-CD1 4.1Å; V90-L124 HydrophobicContact CG2-CD1 3.75Å; I115-L124 HydrophobicContact CB-CB 4.16Å; I115-L124 HydrophobicContact CD1-CD2 4.12Å; I115-L124 PolarHBondContact O-N 2.91Å; L124-L132 HydrophobicContact CD1-CB 4.44Å; L124-L132 HydrophobicContact CD1-CD2 4.43Å; L124-C142 VanDerWaalsContact O-CA 3.24Å; L124-C142 WeakPolarHBondContact O-CA 3.34Å; L124-C142 WeakPolarHBondContact O-CB 3.43Å; L124-F144 HydrophobicContact CB-CE2 4.03Å; L124-F144 HydrophobicContact CB-CZ 4.43Å; L124-F144 HydrophobicContact CD2-CE2 3.94Å; L124-F144 HydrophobicContact CD2-CZ 4.02Å; L124-F144 HydrophobicContact CG-CE2 3.86Å; L124-F144 HydrophobicContact CG-CZ 3.83Å; L124-F144 VanDerWaalsContact O-CE2 3.23Å; L124-F144 WeakPolarHBondContact O-CE2 3.43Å; L124-V172 HydrophobicContact CD2-CG1 4.27Å; L124-V172 HydrophobicContact CD2-CG2 4.2Å |
| 125 | G | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 156.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y123 L132 Y133 | Y123-G125 PolarHBondContact O-N 3.07Å; G125-L132 WeakPolarHBondContact O-CA 3.48Å; G125-Y133 PolarHBondContact N-O 3.35Å; G125-Y133 PolarHBondContact O-N 3.41Å |
| 126 | M | 98.9 | Very high | 98.5 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 121 | 168.7 | -178.2 | -174.9 | -69 | 0 | 0 | 109.5 | E131 L132 E141 F144 Y161 Y170 F171 V172 | M126-E131 WeakPolarHBondContact CA-O 3.35Å; M126-L132 HydrophobicContact CB-CD2 4.06Å; M126-L132 HydrophobicContact CE-CD2 3.45Å; M126-L132 VanDerWaalsContact CE-CD2 3.45Å; M126-L132 HydrophobicContact CG-CD2 4.26Å; M126-E141 PolarHBondContact N-O 3.36Å; M126-E141 WeakPolarHBondContact O-CB 3.38Å; M126-F144 HydrophobicContact CB-CE1 3.99Å; M126-F144 HydrophobicContact CB-CZ 4.31Å; M126-F144 HydrophobicContact CE-CE1 4.39Å; M126-Y161 WeakPolarHBondContact O-CD2 3.14Å; M126-Y161 VanDerWaalsContact O-CE2 3.28Å; M126-Y161 WeakPolarHBondContact O-CE2 3.45Å; M126-Y170 VanDerWaalsContact SD-CB 3.53Å; M126-Y170 HydrophobicContact SD-CD2 4.47Å; M126-F171 VanDerWaalsContact CE-C 3.45Å; M126-F171 WeakPolarHBondContact CE-O 3.5Å; M126-V172 HydrophobicContact CE-CG2 4.01Å |
| 127 | N | 98.7 | Very high | 98.5 | Very high | 30 Ų | 30 | 45.7 Ų | 45.7 | 16% | 0.16 | 23% | 0.229 | C | C | . | . | trans | -80.3 | 178 | -178.3 | 71.7 | 12.7 | 0 | 0 | 0 | 112.9 | K129 G130 E131 Y133 E141 Y161 | N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CA 3.47Å; N127-K129 WeakPolarHBondContact OD1-CB 3.16Å; N127-K129 PolarHBondContact OD1-N 2.86Å; N127-G130 WeakPolarHBondContact O-CA 3.24Å; N127-G130 PolarHBondContact O-N 2.89Å; N127-G130 PolarHBondContact OD1-N 3.25Å; N127-G130 VanDerWaalsContact OD1-N 3.14Å; N127-E131 PolarHBondContact N-O 3.45Å; N127-E131 VanDerWaalsContact N-O 3.09Å; N127-E131 PolarHBondContact ND2-OE2 3.01Å; N127-E131 WeakPolarHBondContact OD1-CB 3.3Å; N127-E131 PolarHBondContact OD1-N 2.76Å; N127-Y133 HydrophobicContact CB-CD1 4.42Å; N127-Y133 HydrophobicContact CB-CE1 4.06Å; N127-E141 WeakPolarHBondContact CA-OE1 3.19Å; N127-Y161 WeakPolarHBondContact O-CD2 3.4Å | ||
| 128 | D | 98.2 | Very high | 98.5 | Very high | 95 Ų | 95 | 49.5 Ų | 49.5 | 51% | 0.508 | 25% | 0.249 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -24 | 178.6 | 67.9 | -23.1 | 0 | 0 | 0 | 114.3 | G130 Y161 | D128-G130 VanDerWaalsContact C-N 3.3Å; D128-Y161 HydrophobicContact CB-CD1 4.32Å; D128-Y161 HydrophobicContact CB-CE1 3.73Å; D128-Y161 HydrophobicContact CB-CE2 4.42Å |
| 129 | K | 98.1 | Very high | 98.5 | Very high | 130 Ų | 130 | 50.7 Ų | 50.7 | 57% | 0.565 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -1.3 | 172.4 | -61.7 | 174.1 | -171.6 | 172.4 | 0 | 113.3 | N127 E131 T184 | N127-K129 PolarHBondContact O-N 2.92Å; N127-K129 WeakPolarHBondContact OD1-CA 3.47Å; N127-K129 WeakPolarHBondContact OD1-CB 3.16Å; N127-K129 PolarHBondContact OD1-N 2.86Å; K129-E131 VanDerWaalsContact C-N 3.31Å; K129-E131 HydrophobicContact CB-CG 4.12Å; K129-T184 WeakPolarHBondContact O-CG2 3.36Å |
| 130 | G | 98.5 | Very high | 98.6 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 27% | 0.271 | C | S | . | . | trans | 76 | 15.5 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | N127 D128 G183 | N127-G130 WeakPolarHBondContact O-CA 3.24Å; N127-G130 PolarHBondContact O-N 2.89Å; N127-G130 PolarHBondContact OD1-N 3.25Å; N127-G130 VanDerWaalsContact OD1-N 3.14Å; D128-G130 VanDerWaalsContact C-N 3.3Å; G130-G183 PolarHBondContact O-N 3.31Å | ||
| 131 | E | 98.9 | Very high | 98.6 | Very high | 101 Ų | 101 | 52.6 Ų | 52.6 | 47% | 0.472 | 27% | 0.272 | S | S | . | . | trans | -82.5 | 134.6 | 177.6 | -57.3 | 166.9 | 146.5 | 0 | 0 | 109.6 | M126 N127 K129 | M126-E131 WeakPolarHBondContact CA-O 3.35Å; N127-E131 PolarHBondContact N-O 3.45Å; N127-E131 VanDerWaalsContact N-O 3.09Å; N127-E131 PolarHBondContact ND2-OE2 3.01Å; N127-E131 WeakPolarHBondContact OD1-CB 3.3Å; N127-E131 PolarHBondContact OD1-N 2.76Å; K129-E131 VanDerWaalsContact C-N 3.31Å; K129-E131 HydrophobicContact CB-CG 4.12Å | ||
| 132 | L | 98.9 | Very high | 98.7 | Very high | 17 Ų | 17 | 51.2 Ų | 51.2 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 138.2 | 176.4 | -61.5 | 179.1 | 0 | 0 | 0 | 110.3 | V90 L124 G125 M126 V172 P180 | V90-L132 HydrophobicContact CB-CB 4Å; V90-L132 HydrophobicContact CG1-CB 3.98Å; V90-L132 HydrophobicContact CG1-CD1 4.14Å; V90-L132 HydrophobicContact CG2-CB 4.23Å; L124-L132 HydrophobicContact CD1-CB 4.44Å; L124-L132 HydrophobicContact CD1-CD2 4.43Å; G125-L132 WeakPolarHBondContact O-CA 3.48Å; M126-L132 HydrophobicContact CB-CD2 4.06Å; M126-L132 HydrophobicContact CE-CD2 3.45Å; M126-L132 VanDerWaalsContact CE-CD2 3.45Å; M126-L132 HydrophobicContact CG-CD2 4.26Å; L132-V172 HydrophobicContact CD1-CG1 3.86Å; L132-V172 HydrophobicContact CD2-CB 4.5Å; L132-V172 HydrophobicContact CD2-CG1 4.38Å; L132-V172 HydrophobicContact CD2-CG2 4.12Å; L132-P180 HydrophobicContact CB-CB 4.47Å; L132-P180 HydrophobicContact CD1-CB 4.39Å |
| 133 | Y | 98.9 | Very high | 98.7 | Very high | 64 Ų | 64 | 51.3 Ų | 51.3 | 25% | 0.251 | 26% | 0.259 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.2 | 165.7 | 178.5 | 71.9 | -84.3 | 0 | 0 | 0 | 111.3 | G88 G125 N127 E141 | G88-Y133 CarbonylContact O-C 3.55Å; G125-Y133 PolarHBondContact N-O 3.35Å; G125-Y133 PolarHBondContact O-N 3.41Å; N127-Y133 HydrophobicContact CB-CD1 4.42Å; N127-Y133 HydrophobicContact CB-CE1 4.06Å; Y133-E141 WeakPolarHBondContact CE1-OE2 3.4Å; Y133-E141 VanDerWaalsContact CZ-OE2 3.31Å; Y133-E141 PolarHBondContact OH-OE2 3.02Å |
| 134 | G | 98.9 | Very high | 98.7 | Very high | 13 Ų | 13 | 49.4 Ų | 49.4 | 13% | 0.134 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 119.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111 | G88 Y123 | G88-G134 PolarHBondContact O-N 2.71Å; Y123-G134 CarbonylContact O-C 3.56Å; Y123-G134 WeakPolarHBondContact O-CA 3.21Å |
| 135 | S | 98.8 | Very high | 98.7 | Very high | 14 Ų | 14 | 53.5 Ų | 53.5 | 10% | 0.098 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 132.8 | 177.9 | -178.1 | 0 | 0 | 0 | 0 | 111.3 | L122 Y123 K137 C142 | L122-S135 CarbonylContact C-O 3.55Å; L122-S135 WeakPolarHBondContact CA-O 3.3Å; Y123-S135 PolarHBondContact N-O 3.3Å; Y123-S135 PolarHBondContact O-N 3.25Å; S135-K137 WeakPolarHBondContact CB-O 3.3Å; S135-K137 PolarHBondContact O-N 3.32Å; S135-K137 PolarHBondContact OG-N 3.42Å; S135-K137 PolarHBondContact OG-O 2.49Å; S135-C142 VanDerWaalsContact CB-SG 3.55Å |
| 136 | E | 98.4 | Very high | 98.6 | Very high | 163 Ų | 163 | 56.3 Ų | 56.3 | 76% | 0.762 | 28% | 0.28 | S | S | * | . | S | Bend | trans | -65.6 | -29.2 | 173.1 | -65.7 | -178.8 | 173 | 0 | 0 | 112.7 | L122 | L122-E136 HydrophobicContact CD2-CB 4.32Å; L122-E136 HydrophobicContact CD2-CG 3.79Å |
| 137 | K | 98.2 | Very high | 98.5 | Very high | 152 Ų | 152 | 60 Ų | 60 | 66% | 0.661 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -114 | 145.3 | -175.9 | -63.8 | 180 | -176.1 | 175.1 | 0 | 110.6 | S135 T139 | S135-K137 WeakPolarHBondContact CB-O 3.3Å; S135-K137 PolarHBondContact O-N 3.32Å; S135-K137 PolarHBondContact OG-N 3.42Å; S135-K137 PolarHBondContact OG-O 2.49Å; K137-T139 HydrophobicContact CB-CG2 4.22Å; K137-T139 PolarHBondContact O-N 2.96Å; K137-T139 VanDerWaalsContact O-N 3.09Å |
| 138 | L | 98.3 | Very high | 98.2 | Very high | 81 Ų | 81 | 64.8 Ų | 64.8 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | trans | -72.3 | 101.2 | 169.6 | 178.8 | 60.2 | 0 | 0 | 0 | 109.3 | L108 S114 Y123 C142 | L108-L138 HydrophobicContact CD2-CD2 4.4Å; S114-L138 WeakPolarHBondContact OG-CD1 3.4Å; Y123-L138 HydrophobicContact CD1-CB 4.35Å; Y123-L138 HydrophobicContact CD1-CD1 3.96Å; Y123-L138 HydrophobicContact CD2-CB 4.31Å; Y123-L138 HydrophobicContact CE1-CB 4.11Å; Y123-L138 HydrophobicContact CE1-CD1 4.21Å; Y123-L138 HydrophobicContact CE2-CB 4.09Å; Y123-L138 HydrophobicContact CG-CB 4.44Å; Y123-L138 HydrophobicContact CG-CD1 4.43Å; L138-C142 HydrophobicContact CD1-CB 3.89Å | ||
| 139 | T | 98.6 | Very high | 97.7 | Very high | 54 Ų | 54 | 62.1 Ų | 62.1 | 33% | 0.331 | 30% | 0.302 | S | S | . | . | trans | -110.2 | 175 | 179.3 | 68.2 | 0 | 0 | 0 | 0 | 111.3 | K137 E141 C142 | K137-T139 HydrophobicContact CB-CG2 4.22Å; K137-T139 PolarHBondContact O-N 2.96Å; K137-T139 VanDerWaalsContact O-N 3.09Å; T139-E141 PolarHBondContact O-N 2.85Å; T139-E141 PolarHBondContact OG1-N 3.41Å; T139-C142 WeakPolarHBondContact O-CB 3.2Å; T139-C142 PolarHBondContact O-N 3.01Å; T139-C142 PolarHBondContact OG1-SG 2.95Å | ||
| 140 | A | 98.6 | Very high | 96.9 | Very high | 63 Ų | 63 | 63 Ų | 63 | 52% | 0.521 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -61.4 | -28.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | C142 V143 L160 | A140-C142 PolarHBondContact O-N 2.74Å; A140-V143 PolarHBondContact O-N 3.37Å; A140-L160 HydrophobicContact CB-CD2 4.13Å |
| 141 | E | 98.8 | Very high | 96.1 | Very high | 40 Ų | 40 | 68.5 Ų | 68.5 | 19% | 0.187 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -69.7 | -16.4 | 174.8 | -63.8 | -165.1 | 147.6 | 0 | 0 | 112.9 | M126 N127 Y133 T139 V143 L160 Y161 | M126-E141 PolarHBondContact N-O 3.36Å; M126-E141 WeakPolarHBondContact O-CB 3.38Å; N127-E141 WeakPolarHBondContact CA-OE1 3.19Å; Y133-E141 WeakPolarHBondContact CE1-OE2 3.4Å; Y133-E141 VanDerWaalsContact CZ-OE2 3.31Å; Y133-E141 PolarHBondContact OH-OE2 3.02Å; T139-E141 PolarHBondContact O-N 2.85Å; T139-E141 PolarHBondContact OG1-N 3.41Å; E141-V143 VanDerWaalsContact C-N 3.33Å; E141-L160 HydrophobicContact CG-CD2 4.1Å; E141-Y161 HydrophobicContact CG-CE2 3.85Å; E141-Y161 PolarHBondContact OE1-OH 3.18Å |
| 142 | C | 98.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 73.1 Ų | 73.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | G | 310 helix | trans | -92.1 | 7.2 | -180 | -56.8 | 0 | 0 | 0 | 0 | 113.3 | S114 L124 S135 L138 T139 A140 | S114-C142 WeakPolarHBondContact CB-O 3.24Å; S114-C142 PolarHBondContact OG-O 3.06Å; L124-C142 VanDerWaalsContact O-CA 3.24Å; L124-C142 WeakPolarHBondContact O-CA 3.34Å; L124-C142 WeakPolarHBondContact O-CB 3.43Å; S135-C142 VanDerWaalsContact CB-SG 3.55Å; L138-C142 HydrophobicContact CD1-CB 3.89Å; T139-C142 WeakPolarHBondContact O-CB 3.2Å; T139-C142 PolarHBondContact O-N 3.01Å; T139-C142 PolarHBondContact OG1-SG 2.95Å; A140-C142 PolarHBondContact O-N 2.74Å |
| 143 | V | 98.8 | Very high | 95.3 | Very high | 20 Ų | 20 | 73.3 Ų | 73.3 | 12% | 0.121 | 35% | 0.35 | C | S | . | . | trans | -106.1 | 119.8 | -176.8 | -176.6 | 0 | 0 | 0 | 0 | 110.1 | L108 L112 A140 E141 N159 | L108-V143 HydrophobicContact CD1-CB 4.28Å; L108-V143 HydrophobicContact CD1-CG1 3.88Å; L108-V143 HydrophobicContact CD1-CG2 3.62Å; L112-V143 HydrophobicContact CB-CG1 4.32Å; A140-V143 PolarHBondContact O-N 3.37Å; E141-V143 VanDerWaalsContact C-N 3.33Å; V143-N159 HydrophobicContact CB-CB 4.23Å; V143-N159 HydrophobicContact CG1-CB 3.94Å; V143-N159 WeakPolarHBondContact O-CB 3.31Å; V143-N159 PolarHBondContact O-N 3.43Å | ||
| 144 | F | 98.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 144.2 | -179.2 | -56.9 | -82.3 | 0 | 0 | 0 | 111.5 | L112 I113 L124 M126 S157 V172 | L112-F144 WeakPolarHBondContact CA-O 3.35Å; I113-F144 HydrophobicContact CG1-CB 4.41Å; I113-F144 PolarHBondContact N-O 3.34Å; I113-F144 PolarHBondContact O-N 3.23Å; L124-F144 HydrophobicContact CB-CE2 4.03Å; L124-F144 HydrophobicContact CB-CZ 4.43Å; L124-F144 HydrophobicContact CD2-CE2 3.94Å; L124-F144 HydrophobicContact CD2-CZ 4.02Å; L124-F144 HydrophobicContact CG-CE2 3.86Å; L124-F144 HydrophobicContact CG-CZ 3.83Å; L124-F144 VanDerWaalsContact O-CE2 3.23Å; L124-F144 WeakPolarHBondContact O-CE2 3.43Å; M126-F144 HydrophobicContact CB-CE1 3.99Å; M126-F144 HydrophobicContact CB-CZ 4.31Å; M126-F144 HydrophobicContact CE-CE1 4.39Å; F144-S157 CarbonylContact C-O 3.57Å; F144-S157 VanDerWaalsContact CA-O 3.27Å; F144-S157 WeakPolarHBondContact CA-O 3.12Å; F144-V172 HydrophobicContact CD1-CG2 3.72Å; F144-V172 HydrophobicContact CE1-CG2 3.58Å; F144-V172 HydrophobicContact CG-CG2 4.49Å; F144-V172 HydrophobicContact CZ-CG2 4.25Å |
| 145 | R | 98.4 | Very high | 95.2 | Very high | 87 Ų | 87 | 70.5 Ų | 70.5 | 33% | 0.328 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 115.2 | 165.2 | -73.7 | 168.5 | -179.1 | -99.1 | -3.5 | 108.8 | G111 L112 Y156 S157 N159 R169 | G111-R145 CarbonylContact O-C 3.44Å; G111-R145 VanDerWaalsContact O-CA 3.3Å; G111-R145 WeakPolarHBondContact O-CA 3.27Å; L112-R145 HydrophobicContact CD2-CB 4.33Å; L112-R145 HydrophobicContact CD2-CG 3.37Å; R145-Y156 WeakPolarHBondContact O-CA 3.39Å; R145-S157 PolarHBondContact N-O 2.9Å; R145-S157 PolarHBondContact O-N 3.43Å; R145-N159 HydrophobicContact CG-CB 4.5Å; R145-N159 VanDerWaalsContact CZ-OD1 3.29Å; R145-N159 PolarHBondContact NE-OD1 2.88Å; R145-N159 PolarHBondContact NH2-OD1 3.27Å; R145-R169 VanDerWaalsContact CZ-NH2 3.29Å; R145-R169 VanDerWaalsContact NE-NH2 3.18Å |
| 146 | E | 97.8 | Very high | 95.2 | Very high | 59 Ų | 59 | 69.9 Ų | 69.9 | 28% | 0.276 | 33% | 0.332 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 124.8 | 170 | 179.4 | 172.1 | -120.2 | 0 | 0 | 109 | G111 I113 N154 Y156 | G111-E146 PolarHBondContact O-N 3.21Å; I113-E146 HydrophobicContact CD1-CB 4.33Å; I113-E146 HydrophobicContact CG1-CB 4.29Å; I113-E146 HydrophobicContact CG2-CB 4.34Å; E146-N154 HydrophobicContact CG-CB 4.29Å; E146-N154 PolarHBondContact OE1-ND2 3.4Å; E146-Y156 HydrophobicContact CB-CD1 4.06Å; E146-Y156 HydrophobicContact CB-CE1 3.74Å; E146-Y156 HydrophobicContact CG-CD1 4.27Å; E146-Y156 HydrophobicContact CG-CE1 3.54Å; E146-Y156 VanDerWaalsContact OE1-CE1 3.24Å; E146-Y156 WeakPolarHBondContact OE1-CE1 3.28Å; E146-Y156 PolarHBondContact OE1-OH 3.49Å |
| 147 | Q | 96.3 | Very high | 95.2 | Very high | 78 Ų | 78 | 62.1 Ų | 62.1 | 36% | 0.364 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.1 | 176.4 | -65.9 | -178.2 | -77.3 | 0 | 0 | 110 | N154 T155 | Q147-N154 CarbonylContact O-C 3.45Å; Q147-N154 VanDerWaalsContact O-CA 3.3Å; Q147-N154 WeakPolarHBondContact O-CA 3.31Å; Q147-T155 PolarHBondContact N-O 3.13Å; Q147-T155 PolarHBondContact O-N 2.95Å; Q147-T155 PolarHBondContact O-OG1 2.5Å |
| 148 | F | 92.3 | Very high | 95.2 | Very high | 129 Ų | 129 | 54.9 Ų | 54.9 | 57% | 0.566 | 26% | 0.264 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.9 | 137.5 | 174.7 | -165 | -100.2 | 0 | 0 | 0 | 110.2 | W152 | F148-W152 AromaticContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CZ3 4.42Å; F148-W152 HydrophobicContact CZ-CD2 4.2Å; F148-W152 AromaticContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CZ3 4.33Å |
| 149 | E | 87.6 | Confident | 95.2 | Very high | 39 Ų | 39 | 53.5 Ų | 53.5 | 18% | 0.182 | 26% | 0.257 | C | S | . | . | trans | -121.3 | 171.2 | 174.4 | -158.3 | 63 | -120.2 | 0 | 0 | 108 | Y153 T155 R188 | E149-Y153 CarbonylContact C-O 3.58Å; E149-Y153 VanDerWaalsContact CA-O 3.3Å; E149-Y153 WeakPolarHBondContact CA-O 3.22Å; E149-Y153 VanDerWaalsContact CB-O 3.24Å; E149-Y153 WeakPolarHBondContact CB-O 3.49Å; E149-Y153 PolarHBondContact N-O 2.77Å; E149-T155 HydrophobicContact CB-CG2 4.44Å; E149-T155 HydrophobicContact CG-CG2 4.4Å; E149-R188 WeakPolarHBondContact OE2-CD 3.05Å; E149-R188 WeakPolarHBondContact OE2-CG 3.5Å; E149-R188 IonicContact OE2-NH1 3.41Å; E149-R188 PolarHBondContact OE2-NH1 2.89Å | ||
| 150 | E | 82.9 | Confident | 95.2 | Very high | 148 Ų | 148 | 55 Ų | 55 | 69% | 0.692 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -58 | 153.6 | 179.2 | -62.8 | 177.2 | 179.1 | 0 | 0 | 112.8 | W152 Y153 | E150-W152 VanDerWaalsContact C-N 3.34Å; E150-W152 PolarHBondContact O-N 2.88Å; E150-Y153 PolarHBondContact O-N 2.99Å |
| 151 | N | 81.6 | Confident | 95.2 | Very high | 116 Ų | 116 | 54.5 Ų | 54.5 | 62% | 0.62 | 25% | 0.248 | S | C | * | . | G | 310 helix | trans | 59.7 | 34.5 | 175.3 | -54.7 | -64.4 | 0 | 0 | 0 | 115.3 | Y153 | N151-Y153 HydrophobicContact CB-CD2 4.45Å; N151-Y153 VanDerWaalsContact O-CD2 3.32Å; N151-Y153 WeakPolarHBondContact O-CD2 3.21Å; N151-Y153 PolarHBondContact O-N 2.77Å |
| 152 | W | 85.1 | Confident | 95.1 | Very high | 198 Ų | 198 | 56.5 Ų | 56.5 | 75% | 0.75 | 26% | 0.256 | S | S | * | . | G | 310 helix | trans | 70.2 | 11.1 | 176.7 | -49.5 | 97.6 | 0 | 0 | 0 | 115.5 | F148 E150 L196 | F148-W152 AromaticContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CE3 3.82Å; F148-W152 HydrophobicContact CE2-CZ3 4.42Å; F148-W152 HydrophobicContact CZ-CD2 4.2Å; F148-W152 AromaticContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CE3 3.81Å; F148-W152 HydrophobicContact CZ-CZ3 4.33Å; E150-W152 VanDerWaalsContact C-N 3.34Å; E150-W152 PolarHBondContact O-N 2.88Å; W152-L196 HydrophobicContact CB-CD1 4.21Å; W152-L196 WeakPolarHBondContact O-CD1 3.35Å |
| 153 | Y | 95.2 | Very high | 94.9 | Very high | 21 Ų | 21 | 59.6 Ų | 59.6 | 8% | 0.082 | 27% | 0.27 | C | S | . | . | trans | -82.9 | 151.1 | 170.5 | -76.6 | -99.4 | 0 | 0 | 0 | 109.8 | R77 E149 E150 N151 H194 L196 | R77-Y153 HydrophobicContact CB-CD1 4.27Å; R77-Y153 HydrophobicContact CB-CE1 3.77Å; R77-Y153 WeakPolarHBondContact CD-OH 3.32Å; R77-Y153 HydrophobicContact CG-CE1 4.27Å; R77-Y153 PolarHBondContact NH1-OH 3.5Å; E149-Y153 CarbonylContact C-O 3.58Å; E149-Y153 VanDerWaalsContact CA-O 3.3Å; E149-Y153 WeakPolarHBondContact CA-O 3.22Å; E149-Y153 VanDerWaalsContact CB-O 3.24Å; E149-Y153 WeakPolarHBondContact CB-O 3.49Å; E149-Y153 PolarHBondContact N-O 2.77Å; E150-Y153 PolarHBondContact O-N 2.99Å; N151-Y153 HydrophobicContact CB-CD2 4.45Å; N151-Y153 VanDerWaalsContact O-CD2 3.32Å; N151-Y153 WeakPolarHBondContact O-CD2 3.21Å; N151-Y153 PolarHBondContact O-N 2.77Å; Y153-H194 HydrophobicContact CD1-CB 3.66Å; Y153-H194 HydrophobicContact CG-CB 4.02Å; Y153-L196 HydrophobicContact CD1-CB 3.99Å; Y153-L196 HydrophobicContact CE1-CB 3.68Å; Y153-L196 HydrophobicContact CE2-CB 4.45Å | ||
| 154 | N | 97.4 | Very high | 94.6 | Very high | 19 Ų | 19 | 61.1 Ų | 61.1 | 10% | 0.102 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 158 | 169.1 | -66.8 | -16.9 | 0 | 0 | 0 | 109.4 | E146 Q147 Y156 F195 | E146-N154 HydrophobicContact CG-CB 4.29Å; E146-N154 PolarHBondContact OE1-ND2 3.4Å; Q147-N154 CarbonylContact O-C 3.45Å; Q147-N154 VanDerWaalsContact O-CA 3.3Å; Q147-N154 WeakPolarHBondContact O-CA 3.31Å; N154-Y156 HydrophobicContact CB-CE2 3.88Å; N154-Y156 PolarHBondContact ND2-OH 2.81Å; N154-F195 PolarHBondContact N-O 2.78Å; N154-F195 PolarHBondContact O-N 2.98Å |
| 155 | T | 98.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 145.2 | 164.1 | 51.4 | 0 | 0 | 0 | 0 | 109.4 | Q147 E149 F171 R188 | Q147-T155 PolarHBondContact N-O 3.13Å; Q147-T155 PolarHBondContact O-N 2.95Å; Q147-T155 PolarHBondContact O-OG1 2.5Å; E149-T155 HydrophobicContact CB-CG2 4.44Å; E149-T155 HydrophobicContact CG-CG2 4.4Å; T155-F171 HydrophobicContact CG2-CE1 4.48Å; T155-R188 HydrophobicContact CG2-CG 4.26Å; T155-R188 PolarHBondContact OG1-NH1 3.14Å |
| 156 | Y | 98.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 74.1 Ų | 74.1 | 0% | 0 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 113.3 | 177.7 | -60 | -78.6 | 0 | 0 | 0 | 108.4 | L74 F105 I113 I115 R145 E146 N154 F171 V172 F195 P197 | L74-Y156 HydrophobicContact CD1-CE2 3.76Å; L74-Y156 HydrophobicContact CD2-CD2 4.19Å; L74-Y156 HydrophobicContact CD2-CE2 3.98Å; L74-Y156 HydrophobicContact CG-CE2 4.34Å; F105-Y156 HydrophobicContact CE1-CE1 4.07Å; I113-Y156 HydrophobicContact CD1-CD1 3.7Å; I113-Y156 HydrophobicContact CD1-CE1 3.37Å; I113-Y156 HydrophobicContact CG1-CD1 4.34Å; I113-Y156 HydrophobicContact CG1-CE1 4.36Å; I115-Y156 HydrophobicContact CD1-CD1 4.42Å; R145-Y156 WeakPolarHBondContact O-CA 3.39Å; E146-Y156 HydrophobicContact CB-CD1 4.06Å; E146-Y156 HydrophobicContact CB-CE1 3.74Å; E146-Y156 HydrophobicContact CG-CD1 4.27Å; E146-Y156 HydrophobicContact CG-CE1 3.54Å; E146-Y156 VanDerWaalsContact OE1-CE1 3.24Å; E146-Y156 WeakPolarHBondContact OE1-CE1 3.28Å; E146-Y156 PolarHBondContact OE1-OH 3.49Å; N154-Y156 HydrophobicContact CB-CE2 3.88Å; N154-Y156 PolarHBondContact ND2-OH 2.81Å; Y156-F171 WeakPolarHBondContact O-CA 3.48Å; Y156-V172 PolarHBondContact O-N 3.22Å; Y156-F195 HydrophobicContact CD2-CB 4.11Å; Y156-F195 HydrophobicContact CD2-CD2 4.18Å; Y156-F195 HydrophobicContact CD2-CG 4.37Å; Y156-F195 HydrophobicContact CE2-CB 3.77Å; Y156-F195 HydrophobicContact CE2-CG 4.48Å; Y156-P197 WeakPolarHBondContact OH-CG 3.21Å |
| 157 | S | 98.8 | Very high | 92.6 | Very high | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 146.8 | -180 | 61.6 | 0 | 0 | 0 | 0 | 111.7 | F144 R145 N159 R169 Y170 | F144-S157 CarbonylContact C-O 3.57Å; F144-S157 VanDerWaalsContact CA-O 3.27Å; F144-S157 WeakPolarHBondContact CA-O 3.12Å; R145-S157 PolarHBondContact N-O 2.9Å; R145-S157 PolarHBondContact O-N 3.43Å; S157-N159 PolarHBondContact O-N 2.76Å; S157-R169 VanDerWaalsContact OG-CD 3.31Å; S157-R169 WeakPolarHBondContact OG-CD 3.34Å; S157-Y170 CarbonylContact C-O 3.59Å; S157-Y170 WeakPolarHBondContact CA-O 3.37Å; S157-Y170 VanDerWaalsContact CB-O 3.24Å; S157-Y170 WeakPolarHBondContact CB-O 3.03Å |
| 158 | S | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.1 | 130.3 | 175.8 | -178.4 | 0 | 0 | 0 | 0 | 109.5 | L160 Y161 R169 Y170 | S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 2.84Å; S158-Y161 PolarHBondContact OG-N 2.9Å; S158-R169 PolarHBondContact O-NH1 3.32Å; S158-Y170 PolarHBondContact N-O 2.74Å |
| 159 | N | 98.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 69 Ų | 69 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -32.8 | 171.3 | -174.2 | 47.7 | 0 | 0 | 0 | 110.8 | L112 V143 R145 S157 R169 | L112-N159 HydrophobicContact CD2-CB 4.48Å; V143-N159 HydrophobicContact CB-CB 4.23Å; V143-N159 HydrophobicContact CG1-CB 3.94Å; V143-N159 WeakPolarHBondContact O-CB 3.31Å; V143-N159 PolarHBondContact O-N 3.43Å; R145-N159 HydrophobicContact CG-CB 4.5Å; R145-N159 VanDerWaalsContact CZ-OD1 3.29Å; R145-N159 PolarHBondContact NE-OD1 2.88Å; R145-N159 PolarHBondContact NH2-OD1 3.27Å; S157-N159 PolarHBondContact O-N 2.76Å; N159-R169 PolarHBondContact O-NH1 2.85Å; N159-R169 VanDerWaalsContact O-NH1 3.1Å |
| 160 | L | 97.9 | Very high | 93.3 | Very high | 85 Ų | 85 | 68.6 Ų | 68.6 | 45% | 0.445 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -46.9 | -173.6 | -173.9 | 57.9 | 0 | 0 | 0 | 113 | A140 E141 S158 | A140-L160 HydrophobicContact CB-CD2 4.13Å; E141-L160 HydrophobicContact CG-CD2 4.1Å; S158-L160 VanDerWaalsContact C-N 3.26Å; S158-L160 PolarHBondContact OG-N 2.84Å |
| 161 | Y | 98.4 | Very high | 94.1 | Very high | 53 Ų | 53 | 62 Ų | 62 | 21% | 0.208 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 137.8 | -169.2 | -58.2 | -60 | 0 | 0 | 0 | 114.3 | M126 N127 D128 E141 S158 Y170 | M126-Y161 WeakPolarHBondContact O-CD2 3.14Å; M126-Y161 VanDerWaalsContact O-CE2 3.28Å; M126-Y161 WeakPolarHBondContact O-CE2 3.45Å; N127-Y161 WeakPolarHBondContact O-CD2 3.4Å; D128-Y161 HydrophobicContact CB-CD1 4.32Å; D128-Y161 HydrophobicContact CB-CE1 3.73Å; D128-Y161 HydrophobicContact CB-CE2 4.42Å; E141-Y161 HydrophobicContact CG-CE2 3.85Å; E141-Y161 PolarHBondContact OE1-OH 3.18Å; S158-Y161 PolarHBondContact OG-N 2.9Å; Y161-Y170 HydrophobicContact CG-CD2 4.49Å; Y161-Y170 PolarHBondContact O-N 2.8Å |
| 162 | K | 97.3 | Very high | 94.9 | Very high | 82 Ų | 82 | 56.5 Ų | 56.5 | 36% | 0.357 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 162.4 | 177.5 | 56.5 | 172.4 | -179.6 | -178.4 | 0 | 110.1 | G164 D165 T168 R169 | K162-G164 WeakPolarHBondContact CD-O 3.34Å; K162-G164 VanDerWaalsContact CE-O 3.31Å; K162-G164 WeakPolarHBondContact CE-O 3.16Å; K162-G164 WeakPolarHBondContact CG-O 3.39Å; K162-G164 PolarHBondContact O-N 3.37Å; K162-D165 WeakPolarHBondContact CE-O 3.25Å; K162-D165 PolarHBondContact NZ-O 3.03Å; K162-T168 WeakPolarHBondContact CA-O 3.31Å; K162-R169 HydrophobicContact CB-CG 4.32Å |
| 163 | H | 95 | Very high | 95.5 | Very high | 65 Ų | 65 | 47 Ų | 47 | 30% | 0.301 | 25% | 0.246 | S | C | . | . | S | Bend | trans | -71.5 | 94.4 | 174.9 | -74.5 | -72 | 0 | 0 | 0 | 111.2 | G167 T168 Y170 T184 | H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 2.79Å; H163-T168 PolarHBondContact CD2-O 3.26Å; H163-T168 PolarHBondContact CD2-OG1 2.94Å; H163-T168 PolarHBondContact N-O 3.03Å; H163-Y170 AromaticContact CD2-CD1 3.91Å; H163-Y170 AromaticContact CD2-CE1 3.47Å; H163-Y170 VanDerWaalsContact CD2-CE1 3.47Å; H163-Y170 WeakPolarHBondContact CD2-CE1 3.23Å; H163-Y170 AromaticContact CE1-CE1 3.64Å; H163-Y170 AromaticContact CG-CE1 3.8Å; H163-Y170 AromaticContact ND1-CE1 3.9Å; H163-Y170 AromaticContact NE2-CD1 3.85Å; H163-Y170 AromaticContact NE2-CE1 3.37Å; H163-Y170 WeakPolarHBondContact NE2-CE1 3.42Å; H163-T184 PolarHBondContact CE1-O 2.78Å; H163-T184 PolarHBondContact NE2-O 2.88Å |
| 164 | G | 90.8 | Very high | 95.7 | Very high | 53 Ų | 53 | 46 Ų | 46 | 55% | 0.546 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 59.8 | -172.1 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | K162 K166 | K162-G164 WeakPolarHBondContact CD-O 3.34Å; K162-G164 VanDerWaalsContact CE-O 3.31Å; K162-G164 WeakPolarHBondContact CE-O 3.16Å; K162-G164 WeakPolarHBondContact CG-O 3.39Å; K162-G164 PolarHBondContact O-N 3.37Å; G164-K166 PolarHBondContact O-N 3.06Å |
| 165 | D | 82.6 | Confident | 95.8 | Very high | 147 Ų | 147 | 46.9 Ų | 46.9 | 79% | 0.786 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.4 | -32 | -170.3 | -65.8 | -33.6 | 0 | 0 | 0 | 114.3 | K162 | K162-D165 WeakPolarHBondContact CE-O 3.25Å; K162-D165 PolarHBondContact NZ-O 3.03Å |
| 166 | K | 83.3 | Confident | 95.8 | Very high | 212 Ų | 212 | 55.5 Ų | 55.5 | 92% | 0.922 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.9 | 1.2 | -176.8 | -64.9 | -174.8 | -179.5 | 179.6 | 0 | 114.1 | G164 | G164-K166 PolarHBondContact O-N 3.06Š|
| 167 | G | 88.3 | Confident | 95.7 | Very high | 35 Ų | 35 | 60.6 Ų | 60.6 | 36% | 0.361 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -90.3 | -176.6 | -172.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | H163 | H163-G167 WeakPolarHBondContact O-CA 3.41Å; H163-G167 PolarHBondContact O-N 2.79Å |
| 168 | T | 94.9 | Very high | 95.7 | Very high | 65 Ų | 65 | 60.8 Ų | 60.8 | 40% | 0.399 | 31% | 0.314 | S | S | . | . | P | Polyproline II helix | trans | -68.6 | 142.3 | -173.6 | 53 | 0 | 0 | 0 | 0 | 111.8 | K162 H163 | K162-T168 WeakPolarHBondContact CA-O 3.31Å; H163-T168 PolarHBondContact CD2-O 3.26Å; H163-T168 PolarHBondContact CD2-OG1 2.94Å; H163-T168 PolarHBondContact N-O 3.03Å |
| 169 | R | 97.3 | Very high | 95.7 | Very high | 60 Ų | 60 | 63.6 Ų | 63.6 | 23% | 0.226 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.9 | 159.8 | 176.1 | -63.7 | -173.1 | 171.1 | -84.1 | -7.6 | 112.1 | R145 S157 S158 N159 K162 F171 | R145-R169 VanDerWaalsContact CZ-NH2 3.29Å; R145-R169 VanDerWaalsContact NE-NH2 3.18Å; S157-R169 VanDerWaalsContact OG-CD 3.31Å; S157-R169 WeakPolarHBondContact OG-CD 3.34Å; S158-R169 PolarHBondContact O-NH1 3.32Å; N159-R169 PolarHBondContact O-NH1 2.85Å; N159-R169 VanDerWaalsContact O-NH1 3.1Å; K162-R169 HydrophobicContact CB-CG 4.32Å; R169-F171 HydrophobicContact CB-CE2 4.16Å; R169-F171 HydrophobicContact CB-CZ 4.49Å; R169-F171 WeakPolarHBondContact O-CD2 3.22Å; R169-F171 VanDerWaalsContact O-CE2 3.22Å; R169-F171 WeakPolarHBondContact O-CE2 3.16Å |
| 170 | Y | 98.6 | Very high | 95.7 | Very high | 30 Ų | 30 | 63.8 Ų | 63.8 | 12% | 0.118 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 140.3 | 169.8 | -61.6 | -1.6 | 0 | 0 | 0 | 109.3 | M126 S157 S158 Y161 H163 G183 T184 | M126-Y170 VanDerWaalsContact SD-CB 3.53Å; M126-Y170 HydrophobicContact SD-CD2 4.47Å; S157-Y170 CarbonylContact C-O 3.59Å; S157-Y170 WeakPolarHBondContact CA-O 3.37Å; S157-Y170 VanDerWaalsContact CB-O 3.24Å; S157-Y170 WeakPolarHBondContact CB-O 3.03Å; S158-Y170 PolarHBondContact N-O 2.74Å; Y161-Y170 HydrophobicContact CG-CD2 4.49Å; Y161-Y170 PolarHBondContact O-N 2.8Å; H163-Y170 AromaticContact CD2-CD1 3.91Å; H163-Y170 AromaticContact CD2-CE1 3.47Å; H163-Y170 VanDerWaalsContact CD2-CE1 3.47Å; H163-Y170 WeakPolarHBondContact CD2-CE1 3.23Å; H163-Y170 AromaticContact CE1-CE1 3.64Å; H163-Y170 AromaticContact CG-CE1 3.8Å; H163-Y170 AromaticContact ND1-CE1 3.9Å; H163-Y170 AromaticContact NE2-CD1 3.85Å; H163-Y170 AromaticContact NE2-CE1 3.37Å; H163-Y170 WeakPolarHBondContact NE2-CE1 3.42Å; Y170-G183 WeakPolarHBondContact CA-O 3.34Å; Y170-T184 HydrophobicContact CD2-CG2 3.99Å; Y170-T184 HydrophobicContact CE1-CG2 4.17Å; Y170-T184 HydrophobicContact CE2-CG2 3.53Å; Y170-T184 HydrophobicContact CG-CG2 4.49Å |
| 171 | F | 98.8 | Very high | 95.8 | Very high | 9 Ų | 9 | 63 Ų | 63 | 4% | 0.039 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 139 | -173.2 | -73.2 | -95.6 | 0 | 0 | 0 | 111.5 | M126 T155 Y156 R169 A173 G183 S186 R188 T193 | M126-F171 VanDerWaalsContact CE-C 3.45Å; M126-F171 WeakPolarHBondContact CE-O 3.5Å; T155-F171 HydrophobicContact CG2-CE1 4.48Å; Y156-F171 WeakPolarHBondContact O-CA 3.48Å; R169-F171 HydrophobicContact CB-CE2 4.16Å; R169-F171 HydrophobicContact CB-CZ 4.49Å; R169-F171 WeakPolarHBondContact O-CD2 3.22Å; R169-F171 VanDerWaalsContact O-CE2 3.22Å; R169-F171 WeakPolarHBondContact O-CE2 3.16Å; F171-A173 PolarHBondContact O-N 3.05Å; F171-G183 PolarHBondContact N-O 2.94Å; F171-G183 VanDerWaalsContact O-CA 3.31Å; F171-G183 WeakPolarHBondContact O-CA 3.31Å; F171-S186 WeakPolarHBondContact CD2-O 3.48Å; F171-R188 HydrophobicContact CE1-CB 4.07Å; F171-R188 HydrophobicContact CE2-CB 4.46Å; F171-R188 HydrophobicContact CZ-CB 3.79Å; F171-T193 HydrophobicContact CB-CG2 3.69Å; F171-T193 HydrophobicContact CG-CG2 4.21Å |
| 172 | V | 98.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | trans | -60.1 | 133.5 | 164.7 | 179.5 | 0 | 0 | 0 | 0 | 107 | L82 L124 M126 L132 F144 Y156 F195 | L82-V172 HydrophobicContact CD1-CG1 4.42Å; L124-V172 HydrophobicContact CD2-CG1 4.27Å; L124-V172 HydrophobicContact CD2-CG2 4.2Å; M126-V172 HydrophobicContact CE-CG2 4.01Å; L132-V172 HydrophobicContact CD1-CG1 3.86Å; L132-V172 HydrophobicContact CD2-CB 4.5Å; L132-V172 HydrophobicContact CD2-CG1 4.38Å; L132-V172 HydrophobicContact CD2-CG2 4.12Å; F144-V172 HydrophobicContact CD1-CG2 3.72Å; F144-V172 HydrophobicContact CE1-CG2 3.58Å; F144-V172 HydrophobicContact CG-CG2 4.49Å; F144-V172 HydrophobicContact CZ-CG2 4.25Å; Y156-V172 PolarHBondContact O-N 3.22Å; V172-F195 HydrophobicContact CB-CE2 4.42Å; V172-F195 HydrophobicContact CG1-CE2 4.05Å; V172-F195 HydrophobicContact CG1-CZ 3.96Å; V172-F195 WeakPolarHBondContact O-CE2 3.34Å | ||
| 173 | A | 98.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -156.7 | 148.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | F171 R181 F192 T193 | F171-A173 PolarHBondContact O-N 3.05Å; A173-R181 HydrophobicContact CB-CB 3.79Å; A173-R181 HydrophobicContact CB-CG 4.35Å; A173-R181 PolarHBondContact O-N 3.09Å; A173-F192 WeakPolarHBondContact CA-O 3.24Å; A173-F192 HydrophobicContact CB-CB 4.45Å; A173-F192 HydrophobicContact CB-CD2 3.81Å; A173-F192 WeakPolarHBondContact CB-O 3.49Å; A173-T193 HydrophobicContact CB-CG2 4.24Å | ||
| 174 | L | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 30% | 0.304 | C | S | . | . | B | Isolated β-bridge | trans | -120.6 | 131.6 | 170.8 | -66.6 | -179.9 | 0 | 0 | 0 | 110 | C76 T78 F80 L82 T179 F192 F195 | C76-L174 HydrophobicContact CB-CB 4.22Å; C76-L174 HydrophobicContact CB-CD1 4.05Å; T78-L174 WeakPolarHBondContact CG2-O 3.28Å; T78-L174 PolarHBondContact OG1-O 3.37Å; F80-L174 HydrophobicContact CB-CD1 4.06Å; L82-L174 HydrophobicContact CB-CD1 4.43Å; L82-L174 HydrophobicContact CD1-CD1 4.18Å; L82-L174 HydrophobicContact CD1-CD2 4.02Å; L82-L174 HydrophobicContact CD1-CG 4.15Å; L174-T179 WeakPolarHBondContact CA-O 3.35Å; L174-F192 PolarHBondContact N-O 3.06Å; L174-F192 WeakPolarHBondContact O-CB 3.49Å; L174-F195 HydrophobicContact CD1-CE1 4.13Å; L174-F195 HydrophobicContact CG-CE1 4.19Å; L174-F195 HydrophobicContact CG-CZ 4.16Å |
| 175 | N | 98.6 | Very high | 96.3 | Very high | 37 Ų | 37 | 60.4 Ų | 60.4 | 20% | 0.198 | 30% | 0.304 | C | S | . | . | trans | -65.5 | 172.8 | 175 | -71.4 | -46.7 | 0 | 0 | 0 | 111.6 | T78 D177 G178 T179 R181 | T78-N175 PolarHBondContact OG1-O 2.76Å; N175-D177 WeakPolarHBondContact CB-OD1 3.44Å; N175-D177 PolarHBondContact O-N 2.79Å; N175-G178 PolarHBondContact O-N 3.18Å; N175-G178 VanDerWaalsContact O-N 3.12Å; N175-T179 WeakPolarHBondContact CB-OG1 3.34Å; N175-T179 PolarHBondContact N-O 3.1Å; N175-T179 PolarHBondContact ND2-OG1 3.45Å; N175-R181 WeakPolarHBondContact OD1-CB 3.43Å; N175-R181 WeakPolarHBondContact OD1-CD 3.47Å; N175-R181 WeakPolarHBondContact OD1-CG 3.46Å; N175-R181 PolarHBondContact OD1-NH1 3.49Å | ||
| 176 | K | 98.3 | Very high | 97 | Very high | 180 Ų | 180 | 53.4 Ų | 53.4 | 78% | 0.783 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -15 | 178.7 | -67.8 | -177.1 | -179.7 | 178.2 | 0 | 113.9 | T78 F80 | T78-K176 HydrophobicContact CG2-CG 4.31Å; F80-K176 WeakPolarHBondContact CE2-O 3.47Å; F80-K176 WeakPolarHBondContact CZ-O 3.34Å |
| 177 | D | 98.3 | Very high | 97.7 | Very high | 108 Ų | 108 | 46.8 Ų | 46.8 | 58% | 0.578 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -94.4 | -2.2 | 173.9 | 59.9 | 5.2 | 0 | 0 | 0 | 112.7 | F80 N175 T179 | F80-D177 VanDerWaalsContact CZ-C 3.41Å; N175-D177 WeakPolarHBondContact CB-OD1 3.44Å; N175-D177 PolarHBondContact O-N 2.79Å; D177-T179 WeakPolarHBondContact OD1-CB 3.45Å; D177-T179 PolarHBondContact OD1-N 3.3Å; D177-T179 PolarHBondContact OD1-OG1 2.75Å; D177-T179 PolarHBondContact OD2-OG1 2.93Å |
| 178 | G | 98.1 | Very high | 98 | Very high | 4 Ų | 4 | 49 Ų | 49 | 4% | 0.041 | 23% | 0.233 | C | C | . | . | S | Bend | trans | 90.2 | -4.3 | -179 | 0 | 0 | 0 | 0 | 0 | 114.4 | G92 N175 | G92-G178 VanDerWaalsContact CA-O 3.23Å; G92-G178 WeakPolarHBondContact CA-O 3.35Å; G92-G178 PolarHBondContact N-O 2.78Å; N175-G178 PolarHBondContact O-N 3.18Å; N175-G178 VanDerWaalsContact O-N 3.12Å |
| 179 | T | 98.7 | Very high | 98 | Very high | 59 Ų | 59 | 52.8 Ų | 52.8 | 36% | 0.362 | 25% | 0.246 | S | C | . | . | P | Polyproline II helix | trans | -71.6 | 148.9 | 177.7 | 60 | 0 | 0 | 0 | 0 | 111.9 | L174 N175 D177 R181 | L174-T179 WeakPolarHBondContact CA-O 3.35Å; N175-T179 WeakPolarHBondContact CB-OG1 3.34Å; N175-T179 PolarHBondContact N-O 3.1Å; N175-T179 PolarHBondContact ND2-OG1 3.45Å; D177-T179 WeakPolarHBondContact OD1-CB 3.45Å; D177-T179 PolarHBondContact OD1-N 3.3Å; D177-T179 PolarHBondContact OD1-OG1 2.75Å; D177-T179 PolarHBondContact OD2-OG1 2.93Å; T179-R181 PolarHBondContact O-N 3.36Å |
| 180 | P | 98.6 | Very high | 98 | Very high | 55 Ų | 55 | 52.4 Ų | 52.4 | 36% | 0.357 | 25% | 0.247 | S | C | . | . | B | Isolated β-bridge | trans | -62.2 | 135.8 | 173.3 | 29.5 | -36.4 | 0 | 0 | 0 | 110.1 | V90 L132 | V90-P180 WeakPolarHBondContact O-CD 3.15Å; V90-P180 VanDerWaalsContact O-CG 3.25Å; V90-P180 WeakPolarHBondContact O-CG 3.48Å; L132-P180 HydrophobicContact CB-CB 4.47Å; L132-P180 HydrophobicContact CD1-CB 4.39Å |
| 181 | R | 98.6 | Very high | 97.9 | Very high | 70 Ų | 70 | 57.9 Ų | 57.9 | 26% | 0.264 | 27% | 0.271 | S | S | . | . | P | Polyproline II helix | trans | -102.4 | 137.7 | 179.5 | -176.1 | 180 | -178.7 | 76.5 | 4.6 | 110.5 | A173 N175 T179 G183 S186 F192 | A173-R181 HydrophobicContact CB-CB 3.79Å; A173-R181 HydrophobicContact CB-CG 4.35Å; A173-R181 PolarHBondContact O-N 3.09Å; N175-R181 WeakPolarHBondContact OD1-CB 3.43Å; N175-R181 WeakPolarHBondContact OD1-CD 3.47Å; N175-R181 WeakPolarHBondContact OD1-CG 3.46Å; N175-R181 PolarHBondContact OD1-NH1 3.49Å; T179-R181 PolarHBondContact O-N 3.36Å; R181-G183 PolarHBondContact O-N 3Å; R181-S186 WeakPolarHBondContact CD-OG 3.38Å; R181-F192 VanDerWaalsContact NE-CZ 3.27Å |
| 182 | D | 98.3 | Very high | 97.9 | Very high | 44 Ų | 44 | 59.1 Ų | 59.1 | 24% | 0.235 | 28% | 0.277 | C | S | . | . | P | Polyproline II helix | trans | -49.8 | 117.1 | 170.9 | 178.3 | -13.1 | 0 | 0 | 0 | 111.7 | T184 K185 S186 | D182-T184 VanDerWaalsContact C-N 3.26Å; D182-T184 PolarHBondContact O-N 2.85Å; D182-T184 WeakPolarHBondContact OD1-CA 3.31Å; D182-T184 VanDerWaalsContact OD1-CB 3.23Å; D182-T184 WeakPolarHBondContact OD1-CB 3.37Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.46Å; D182-T184 PolarHBondContact OD1-N 2.72Å; D182-T184 PolarHBondContact OD1-OG1 2.94Å; D182-T184 PolarHBondContact OD2-OG1 3.46Å; D182-K185 HydrophobicContact CB-CD 4.41Å; D182-K185 PolarHBondContact O-N 3.24Å; D182-K185 VanDerWaalsContact O-N 3.16Å; D182-K185 WeakPolarHBondContact OD2-CE 3.2Å; D182-K185 IonicContact OD2-NZ 2.69Å; D182-K185 PolarHBondContact OD2-NZ 3Å; D182-S186 PolarHBondContact O-OG 3.38Å |
| 183 | G | 98.4 | Very high | 97.9 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -65.1 | -26.9 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G130 Y170 F171 R181 K185 S186 | G130-G183 PolarHBondContact O-N 3.31Å; Y170-G183 WeakPolarHBondContact CA-O 3.34Å; F171-G183 PolarHBondContact N-O 2.94Å; F171-G183 VanDerWaalsContact O-CA 3.31Å; F171-G183 WeakPolarHBondContact O-CA 3.31Å; R181-G183 PolarHBondContact O-N 3Å; G183-K185 PolarHBondContact O-N 3.32Å; G183-S186 PolarHBondContact O-N 2.88Å |
| 184 | T | 98.1 | Very high | 97.8 | Very high | 28 Ų | 28 | 60.4 Ų | 60.4 | 17% | 0.172 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -65.7 | -28.5 | 176.1 | 74.6 | 0 | 0 | 0 | 0 | 111.2 | K129 H163 Y170 D182 R187 | K129-T184 WeakPolarHBondContact O-CG2 3.36Å; H163-T184 PolarHBondContact CE1-O 2.78Å; H163-T184 PolarHBondContact NE2-O 2.88Å; Y170-T184 HydrophobicContact CD2-CG2 3.99Å; Y170-T184 HydrophobicContact CE1-CG2 4.17Å; Y170-T184 HydrophobicContact CE2-CG2 3.53Å; Y170-T184 HydrophobicContact CG-CG2 4.49Å; D182-T184 VanDerWaalsContact C-N 3.26Å; D182-T184 PolarHBondContact O-N 2.85Å; D182-T184 WeakPolarHBondContact OD1-CA 3.31Å; D182-T184 VanDerWaalsContact OD1-CB 3.23Å; D182-T184 WeakPolarHBondContact OD1-CB 3.37Å; D182-T184 WeakPolarHBondContact OD1-CG2 3.46Å; D182-T184 PolarHBondContact OD1-N 2.72Å; D182-T184 PolarHBondContact OD1-OG1 2.94Å; D182-T184 PolarHBondContact OD2-OG1 3.46Å; T184-R187 PolarHBondContact O-NH1 3.35Å; T184-R187 PolarHBondContact O-NH2 3.08Å |
| 185 | K | 97.8 | Very high | 97.8 | Very high | 125 Ų | 125 | 60.4 Ų | 60.4 | 54% | 0.543 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -100.4 | 10.9 | -178 | -63.7 | 178.1 | -175.3 | 116.8 | 0 | 113.5 | D182 G183 | D182-K185 HydrophobicContact CB-CD 4.41Å; D182-K185 PolarHBondContact O-N 3.24Å; D182-K185 VanDerWaalsContact O-N 3.16Å; D182-K185 WeakPolarHBondContact OD2-CE 3.2Å; D182-K185 IonicContact OD2-NZ 2.69Å; D182-K185 PolarHBondContact OD2-NZ 3Å; G183-K185 PolarHBondContact O-N 3.32Å |
| 186 | S | 97.9 | Very high | 97.8 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 29% | 0.285 | C | S | . | . | trans | -111.5 | 139 | -176.2 | -62.3 | 0 | 0 | 0 | 0 | 111.3 | F171 R181 D182 G183 | F171-S186 WeakPolarHBondContact CD2-O 3.48Å; R181-S186 WeakPolarHBondContact CD-OG 3.38Å; D182-S186 PolarHBondContact O-OG 3.38Å; G183-S186 PolarHBondContact O-N 2.88Å | ||
| 187 | R | 96.8 | Very high | 97.7 | Very high | 73 Ų | 73 | 54.1 Ų | 54.1 | 28% | 0.275 | 26% | 0.26 | S | S | . | . | trans | -132.5 | 146.1 | -175.4 | -59 | -67.7 | 178.6 | -87.4 | -0.2 | 110.5 | T184 H189 Q190 T193 | T184-R187 PolarHBondContact O-NH1 3.35Å; T184-R187 PolarHBondContact O-NH2 3.08Å; R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 2.9Å; R187-H189 VanDerWaalsContact O-N 3.12Å; R187-Q190 HydrophobicContact CB-CG 4.15Å; R187-Q190 VanDerWaalsContact O-CB 3.32Å; R187-Q190 WeakPolarHBondContact O-CB 3.4Å; R187-Q190 PolarHBondContact O-N 3.06Å; R187-T193 VanDerWaalsContact O-CG2 3.3Å; R187-T193 WeakPolarHBondContact O-CG2 3.37Å; R187-T193 PolarHBondContact O-OG1 2.91Å | ||
| 188 | R | 96 | Very high | 97.7 | Very high | 82 Ų | 82 | 52.7 Ų | 52.7 | 31% | 0.309 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43 | -47.9 | -178 | 178.9 | -174.6 | -66.6 | -72.4 | -9.7 | 115 | E149 T155 F171 Q190 T193 H194 | E149-R188 WeakPolarHBondContact OE2-CD 3.05Å; E149-R188 WeakPolarHBondContact OE2-CG 3.5Å; E149-R188 IonicContact OE2-NH1 3.41Å; E149-R188 PolarHBondContact OE2-NH1 2.89Å; T155-R188 HydrophobicContact CG2-CG 4.26Å; T155-R188 PolarHBondContact OG1-NH1 3.14Å; F171-R188 HydrophobicContact CE1-CB 4.07Å; F171-R188 HydrophobicContact CE2-CB 4.46Å; F171-R188 HydrophobicContact CZ-CB 3.79Å; R188-Q190 PolarHBondContact O-N 3.24Å; R188-T193 PolarHBondContact O-OG1 3.25Å; R188-T193 VanDerWaalsContact O-OG1 3.1Å; R188-H194 PolarHBondContact O-CD2 3.3Å; R188-H194 PolarHBondContact O-NE2 3.12Å |
| 189 | H | 94.8 | Very high | 97.5 | Very high | 144 Ų | 144 | 57.2 Ų | 57.2 | 67% | 0.667 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.7 | -8.7 | -173.8 | 65.5 | -93.5 | 0 | 0 | 0 | 113.4 | R187 | R187-H189 VanDerWaalsContact C-N 3.31Å; R187-H189 PolarHBondContact O-N 2.9Å; R187-H189 VanDerWaalsContact O-N 3.12Å |
| 190 | Q | 96.6 | Very high | 97.4 | Very high | 52 Ų | 52 | 55.4 Ų | 55.4 | 24% | 0.243 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -86 | 131.6 | -175 | -60.9 | 174.9 | -52.6 | 0 | 0 | 110.6 | R187 R188 F192 T193 | R187-Q190 HydrophobicContact CB-CG 4.15Å; R187-Q190 VanDerWaalsContact O-CB 3.32Å; R187-Q190 WeakPolarHBondContact O-CB 3.4Å; R187-Q190 PolarHBondContact O-N 3.06Å; R188-Q190 PolarHBondContact O-N 3.24Å; Q190-F192 HydrophobicContact CB-CD1 4.31Å; Q190-F192 HydrophobicContact CB-CD2 3.96Å; Q190-F192 HydrophobicContact CB-CE1 3.88Å; Q190-F192 HydrophobicContact CB-CE2 3.47Å; Q190-F192 VanDerWaalsContact CB-CE2 3.47Å; Q190-F192 HydrophobicContact CB-CG 4.37Å; Q190-F192 HydrophobicContact CB-CZ 3.46Å; Q190-F192 VanDerWaalsContact CB-CZ 3.46Å; Q190-F192 HydrophobicContact CG-CE1 4.39Å; Q190-F192 HydrophobicContact CG-CE2 4.16Å; Q190-F192 HydrophobicContact CG-CZ 3.83Å; Q190-F192 PolarHBondContact O-N 2.86Å; Q190-T193 PolarHBondContact O-N 3.37Å; Q190-T193 PolarHBondContact O-OG1 2.69Å |
| 191 | K | 96.7 | Very high | 97.2 | Very high | 145 Ų | 145 | 55.9 Ų | 55.9 | 63% | 0.63 | 26% | 0.263 | S | S | * | . | G | 310 helix | trans | -54.4 | -32.7 | -174.9 | -66.9 | -177.3 | 178.1 | 178.2 | 0 | 114.3 | R77 T193 H194 | R77-K191 HydrophobicContact CB-CB 4.4Å; R77-K191 WeakPolarHBondContact CB-O 3.35Å; R77-K191 HydrophobicContact CG-CB 4.2Å; R77-K191 HydrophobicContact CG-CG 4.42Å; K191-T193 PolarHBondContact O-N 3.42Å; K191-H194 WeakPolarHBondContact O-CB 3.49Å; K191-H194 PolarHBondContact O-N 3.44Å; K191-H194 VanDerWaalsContact O-N 3.08Å |
| 192 | F | 98.1 | Very high | 96.9 | Very high | 36 Ų | 36 | 54.9 Ų | 54.9 | 16% | 0.158 | 27% | 0.266 | C | S | . | . | G | 310 helix | trans | -67.6 | -12.2 | 178 | 46.8 | -114.7 | 0 | 0 | 0 | 114.3 | C76 T78 A173 L174 R181 Q190 | C76-F192 PolarHBondContact SG-O 3Å; T78-F192 HydrophobicContact CG2-CB 3.85Å; A173-F192 WeakPolarHBondContact CA-O 3.24Å; A173-F192 HydrophobicContact CB-CB 4.45Å; A173-F192 HydrophobicContact CB-CD2 3.81Å; A173-F192 WeakPolarHBondContact CB-O 3.49Å; L174-F192 PolarHBondContact N-O 3.06Å; L174-F192 WeakPolarHBondContact O-CB 3.49Å; R181-F192 VanDerWaalsContact NE-CZ 3.27Å; Q190-F192 HydrophobicContact CB-CD1 4.31Å; Q190-F192 HydrophobicContact CB-CD2 3.96Å; Q190-F192 HydrophobicContact CB-CE1 3.88Å; Q190-F192 HydrophobicContact CB-CE2 3.47Å; Q190-F192 VanDerWaalsContact CB-CE2 3.47Å; Q190-F192 HydrophobicContact CB-CG 4.37Å; Q190-F192 HydrophobicContact CB-CZ 3.46Å; Q190-F192 VanDerWaalsContact CB-CZ 3.46Å; Q190-F192 HydrophobicContact CG-CE1 4.39Å; Q190-F192 HydrophobicContact CG-CE2 4.16Å; Q190-F192 HydrophobicContact CG-CZ 3.83Å; Q190-F192 PolarHBondContact O-N 2.86Å |
| 193 | T | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.292 | C | S | . | . | G | 310 helix | trans | -94 | -5 | 173.5 | 69 | 0 | 0 | 0 | 0 | 113.2 | F171 A173 R187 R188 Q190 K191 F195 | F171-T193 HydrophobicContact CB-CG2 3.69Å; F171-T193 HydrophobicContact CG-CG2 4.21Å; A173-T193 HydrophobicContact CB-CG2 4.24Å; R187-T193 VanDerWaalsContact O-CG2 3.3Å; R187-T193 WeakPolarHBondContact O-CG2 3.37Å; R187-T193 PolarHBondContact O-OG1 2.91Å; R188-T193 PolarHBondContact O-OG1 3.25Å; R188-T193 VanDerWaalsContact O-OG1 3.1Å; Q190-T193 PolarHBondContact O-N 3.37Å; Q190-T193 PolarHBondContact O-OG1 2.69Å; K191-T193 PolarHBondContact O-N 3.42Å; T193-F195 WeakPolarHBondContact O-CD2 3.39Å |
| 194 | H | 98.4 | Very high | 96.4 | Very high | 27 Ų | 27 | 67 Ų | 67 | 13% | 0.125 | 32% | 0.316 | C | S | . | . | trans | -92.7 | 119.9 | -175.3 | -60.3 | 170.6 | 0 | 0 | 0 | 109.1 | C76 R77 Y153 R188 K191 | C76-H194 CarbonylContact C-O 3.55Å; C76-H194 WeakPolarHBondContact CA-O 3.32Å; R77-H194 HydrophobicContact CB-CB 3.93Å; R77-H194 PolarHBondContact N-O 3.42Å; Y153-H194 HydrophobicContact CD1-CB 3.66Å; Y153-H194 HydrophobicContact CG-CB 4.02Å; R188-H194 PolarHBondContact O-CD2 3.3Å; R188-H194 PolarHBondContact O-NE2 3.12Å; K191-H194 WeakPolarHBondContact O-CB 3.49Å; K191-H194 PolarHBondContact O-N 3.44Å; K191-H194 VanDerWaalsContact O-N 3.08Å | ||
| 195 | F | 98.6 | Very high | 96.2 | Very high | 0 Ų | 0 | 66.2 Ų | 66.2 | 0% | 0 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 135.2 | 178.8 | -69.2 | -95.2 | 0 | 0 | 0 | 111.5 | L74 Y75 C76 L82 N154 Y156 V172 L174 T193 | L74-F195 HydrophobicContact CD1-CB 3.76Å; L74-F195 HydrophobicContact CD2-CB 4.33Å; L74-F195 HydrophobicContact CD2-CD1 4.11Å; L74-F195 HydrophobicContact CD2-CG 4.28Å; L74-F195 HydrophobicContact CG-CB 3.77Å; L74-F195 HydrophobicContact CG-CD1 3.71Å; L74-F195 HydrophobicContact CG-CG 4Å; Y75-F195 CarbonylContact O-C 3.58Å; Y75-F195 VanDerWaalsContact O-CA 3.31Å; Y75-F195 WeakPolarHBondContact O-CA 3.3Å; C76-F195 HydrophobicContact CB-CD1 3.7Å; C76-F195 HydrophobicContact CB-CE1 3.45Å; C76-F195 VanDerWaalsContact CB-CE1 3.45Å; C76-F195 HydrophobicContact CB-CZ 4.02Å; L82-F195 HydrophobicContact CD1-CE1 4.45Å; N154-F195 PolarHBondContact N-O 2.78Å; N154-F195 PolarHBondContact O-N 2.98Å; Y156-F195 HydrophobicContact CD2-CB 4.11Å; Y156-F195 HydrophobicContact CD2-CD2 4.18Å; Y156-F195 HydrophobicContact CD2-CG 4.37Å; Y156-F195 HydrophobicContact CE2-CB 3.77Å; Y156-F195 HydrophobicContact CE2-CG 4.48Å; V172-F195 HydrophobicContact CB-CE2 4.42Å; V172-F195 HydrophobicContact CG1-CE2 4.05Å; V172-F195 HydrophobicContact CG1-CZ 3.96Å; V172-F195 WeakPolarHBondContact O-CE2 3.34Å; L174-F195 HydrophobicContact CD1-CE1 4.13Å; L174-F195 HydrophobicContact CG-CE1 4.19Å; L174-F195 HydrophobicContact CG-CZ 4.16Å; T193-F195 WeakPolarHBondContact O-CD2 3.39Å |
| 196 | L | 97.8 | Very high | 95.9 | Very high | 48 Ų | 48 | 63.4 Ų | 63.4 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 114.9 | 175.1 | 178.1 | 65 | 0 | 0 | 0 | 108.7 | Y75 W152 Y153 R198 | Y75-L196 HydrophobicContact CD1-CB 4.36Å; Y75-L196 PolarHBondContact N-O 2.75Å; Y75-L196 PolarHBondContact O-N 3.41Å; W152-L196 HydrophobicContact CB-CD1 4.21Å; W152-L196 WeakPolarHBondContact O-CD1 3.35Å; Y153-L196 HydrophobicContact CD1-CB 3.99Å; Y153-L196 HydrophobicContact CE1-CB 3.68Å; Y153-L196 HydrophobicContact CE2-CB 4.45Å; L196-R198 HydrophobicContact CD2-CG 4.25Å; L196-R198 HydrophobicContact CG-CG 4.18Å; L196-R198 PolarHBondContact O-N 3.07Å |
| 197 | P | 96.7 | Very high | 95.6 | Very high | 37 Ų | 37 | 68.9 Ų | 68.9 | 24% | 0.24 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.8 | 116.3 | 168.8 | -20.3 | 33.6 | 0 | 0 | 0 | 109.8 | R72 L74 Y156 | R72-P197 HydrophobicContact CG-CB 4.37Å; L74-P197 HydrophobicContact CD1-CG 4.14Å; Y156-P197 WeakPolarHBondContact OH-CG 3.21Å |
| 198 | R | 97.1 | Very high | 95.2 | Very high | 77 Ų | 77 | 66.4 Ų | 66.4 | 29% | 0.291 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 148.2 | 178.8 | -67.3 | -176.2 | 65.4 | -145 | -14.7 | 110.8 | R72 Q73 H81 D96 L196 | R72-R198 CarbonylContact C-O 3.47Å; R72-R198 VanDerWaalsContact CA-O 3.28Å; R72-R198 WeakPolarHBondContact CA-O 3.23Å; R72-R198 WeakPolarHBondContact CD-O 3.45Å; Q73-R198 HydrophobicContact CB-CB 4.36Å; Q73-R198 PolarHBondContact N-O 3.19Å; Q73-R198 PolarHBondContact O-N 2.9Å; H81-R198 PolarHBondContact CE1-NH1 3.22Å; H81-R198 PolarHBondContact NE2-NH1 2.85Å; D96-R198 IonicContact OD1-CZ 2.71Å; D96-R198 VanDerWaalsContact OD1-CZ 3.23Å; D96-R198 IonicContact OD1-NH1 3.92Å; D96-R198 PolarHBondContact OD1-NH1 3.46Å; D96-R198 IonicContact OD1-NH2 3.96Å; D96-R198 PolarHBondContact OD1-NH2 2.92Å; L196-R198 HydrophobicContact CD2-CG 4.25Å; L196-R198 HydrophobicContact CG-CG 4.18Å; L196-R198 PolarHBondContact O-N 3.07Å |
| 199 | P | 95.9 | Very high | 94.7 | Very high | 99 Ų | 99 | 62.9 Ų | 62.9 | 64% | 0.643 | 31% | 0.309 | S | S | * | . | trans | -64.1 | 160.5 | 175.4 | 28.6 | -35.2 | 0 | 0 | 0 | 111.6 | Q73 | Q73-P199 PolarHBondContact NE2-O 3.1Š| ||
| 200 | V | 96.4 | Very high | 94 | Very high | 22 Ų | 22 | 60.5 Ų | 60.5 | 13% | 0.133 | 30% | 0.297 | C | S | . | . | trans | -115.3 | 126.3 | 173.9 | -179.4 | 0 | 0 | 0 | 0 | 107.6 | R71 Q73 I102 P202 V205 Y209 | R71-V200 HydrophobicContact CB-CG2 4.32Å; Q73-V200 HydrophobicContact CG-CG2 3.87Å; I102-V200 HydrophobicContact CD1-CG1 3.87Å; I102-V200 HydrophobicContact CD1-CG2 4.08Å; I102-V200 HydrophobicContact CG2-CG1 4.19Å; I102-V200 HydrophobicContact CG2-CG2 4.21Å; V200-P202 WeakPolarHBondContact O-CD 3.37Å; V200-V205 HydrophobicContact CG1-CG2 3.86Å; V200-Y209 HydrophobicContact CG1-CE2 4.28Å; V200-Y209 WeakPolarHBondContact CG1-OH 3.1Å | ||
| 201 | D | 94.5 | Very high | 92.6 | Very high | 65 Ų | 65 | 66 Ų | 66 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | trans | -88.2 | 113.6 | 168.8 | -178.3 | -6.6 | 0 | 0 | 0 | 109.1 | H97 E203 R204 | H97-D201 PolarHBondContact NE2-N 3.28Å; D201-E203 PolarHBondContact O-N 2.94Å; D201-E203 PolarHBondContact OD1-N 3.24Å; D201-R204 HydrophobicContact CB-CB 4.48Å; D201-R204 HydrophobicContact CB-CG 4.16Å; D201-R204 PolarHBondContact O-N 3.12Å | ||
| 202 | P | 91.6 | Very high | 91.1 | Very high | 49 Ų | 49 | 61.7 Ų | 61.7 | 32% | 0.318 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | -58.6 | -31.4 | -179.6 | -24.7 | 35.6 | 0 | 0 | 0 | 114 | V200 R204 V205 Y209 | V200-P202 WeakPolarHBondContact O-CD 3.37Å; P202-R204 PolarHBondContact O-N 2.92Å; P202-V205 CarbonylContact O-C 3.32Å; P202-V205 VanDerWaalsContact O-C 3.32Å; P202-V205 PolarHBondContact O-N 2.78Å; P202-Y209 HydrophobicContact CB-CD1 4.03Å; P202-Y209 HydrophobicContact CB-CD2 4.1Å; P202-Y209 HydrophobicContact CB-CE1 4.06Å; P202-Y209 HydrophobicContact CB-CE2 4.17Å; P202-Y209 HydrophobicContact CB-CG 4.05Å; P202-Y209 HydrophobicContact CG-CD1 4.33Å; P202-Y209 HydrophobicContact CG-CE1 3.94Å |
| 203 | E | 91.9 | Very high | 89.4 | Confident | 169 Ų | 169 | 64.7 Ų | 64.7 | 79% | 0.79 | 33% | 0.329 | S | S | * | . | G | 310 helix | trans | -66.8 | -24.7 | -178.1 | -63.6 | -176.3 | -179.6 | 0 | 0 | 112.2 | D201 | D201-E203 PolarHBondContact O-N 2.94Å; D201-E203 PolarHBondContact OD1-N 3.24Å |
| 204 | R | 94.9 | Very high | 87.3 | Confident | 130 Ų | 130 | 67.8 Ų | 67.8 | 49% | 0.491 | 36% | 0.36 | S | S | . | . | G | 310 helix | trans | -84.4 | -14 | 179.1 | -64.2 | -171 | 64 | -171 | -10.1 | 113.8 | D96 H97 D201 P202 | D96-R204 PolarHBondContact O-NH2 3.16Å; D96-R204 IonicContact OD2-CZ 3.19Å; D96-R204 IonicContact OD2-NH1 2.77Å; D96-R204 PolarHBondContact OD2-NH1 3.18Å; D96-R204 IonicContact OD2-NH2 2.81Å; D96-R204 PolarHBondContact OD2-NH2 3.36Å; H97-R204 HydrophobicContact CB-CB 4.05Å; H97-R204 PolarHBondContact ND1-NH1 2.82Å; D201-R204 HydrophobicContact CB-CB 4.48Å; D201-R204 HydrophobicContact CB-CG 4.16Å; D201-R204 PolarHBondContact O-N 3.12Å; P202-R204 PolarHBondContact O-N 2.92Å |
| 205 | V | 94.1 | Very high | 84.8 | Confident | 11 Ų | 11 | 74 Ų | 74 | 7% | 0.067 | 39% | 0.389 | C | S | . | . | S | Bend | trans | -139.2 | 54.1 | -180 | -75.2 | 0 | 0 | 0 | 0 | 111.1 | H97 I102 V200 P202 E207 L208 Y209 | H97-V205 HydrophobicContact CB-CG1 4.14Å; H97-V205 WeakPolarHBondContact O-CG1 3.47Å; I102-V205 HydrophobicContact CD1-CG1 4.24Å; I102-V205 HydrophobicContact CD1-CG2 4.39Å; I102-V205 HydrophobicContact CG1-CB 4.48Å; I102-V205 HydrophobicContact CG1-CG1 4.07Å; I102-V205 HydrophobicContact CG1-CG2 4.25Å; V200-V205 HydrophobicContact CG1-CG2 3.86Å; P202-V205 CarbonylContact O-C 3.32Å; P202-V205 VanDerWaalsContact O-C 3.32Å; P202-V205 PolarHBondContact O-N 2.78Å; V205-E207 PolarHBondContact O-N 3.3Å; V205-E207 VanDerWaalsContact O-N 3.13Å; V205-L208 HydrophobicContact CB-CD1 4.31Å; V205-L208 PolarHBondContact O-N 3.15Å; V205-Y209 HydrophobicContact CG2-CD2 4.21Å; V205-Y209 HydrophobicContact CG2-CE2 3.72Å; V205-Y209 WeakPolarHBondContact O-CD2 3.45Å |
| 206 | P | 91.6 | Very high | 82 | Confident | 65 Ų | 65 | 83.1 Ų | 83.1 | 42% | 0.422 | 45% | 0.453 | S | S | . | . | G | 310 helix | trans | -59.9 | -34.2 | -169.2 | 24.8 | -34.7 | 0 | 0 | 0 | 112.5 | L208 Y209 K210 | P206-L208 PolarHBondContact O-N 2.61Å; P206-L208 VanDerWaalsContact O-N 3.1Å; P206-Y209 PolarHBondContact O-N 3.47Å; P206-K210 WeakPolarHBondContact O-CG 3.35Å; P206-K210 PolarHBondContact O-N 2.81Å |
| 207 | E | 90.3 | Very high | 81.2 | Confident | 115 Ų | 115 | 84.9 Ų | 84.9 | 54% | 0.537 | 46% | 0.463 | S | S | . | . | G | 310 helix | trans | -50.8 | -32.9 | 176.2 | -59.4 | -58.5 | 141 | 0 | 0 | 113.8 | V205 Y209 K210 | V205-E207 PolarHBondContact O-N 3.3Å; V205-E207 VanDerWaalsContact O-N 3.13Å; E207-Y209 VanDerWaalsContact C-N 3.32Å; E207-K210 VanDerWaalsContact CD-CE 3.42Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 2.96Å; E207-K210 IonicContact OE1-NZ 3.36Å; E207-K210 PolarHBondContact OE1-NZ 3.33Å; E207-K210 WeakPolarHBondContact OE2-CE 3.4Å; E207-K210 IonicContact OE2-NZ 3.42Å; E207-K210 PolarHBondContact OE2-NZ 3.36Å |
| 208 | L | 89.3 | Confident | 80.4 | Confident | 21 Ų | 21 | 87.4 Ų | 87.4 | 11% | 0.11 | 47% | 0.474 | C | S | . | . | G | 310 helix | trans | -87.4 | -2.7 | -178 | -57.3 | -178.2 | 0 | 0 | 0 | 113.4 | R71 I102 V118 D119 V205 P206 | R71-L208 PolarHBondContact NH1-O 2.99Å; R71-L208 PolarHBondContact NH2-O 3.22Å; I102-L208 HydrophobicContact CB-CD1 3.7Å; I102-L208 HydrophobicContact CG1-CD1 3.63Å; I102-L208 HydrophobicContact CG2-CD1 4.1Å; V118-L208 HydrophobicContact CG1-CB 4.16Å; V118-L208 HydrophobicContact CG1-CD1 4.36Å; V118-L208 HydrophobicContact CG1-CD2 4.48Å; D119-L208 HydrophobicContact CB-CD2 3.74Å; V205-L208 HydrophobicContact CB-CD1 4.31Å; V205-L208 PolarHBondContact O-N 3.15Å; P206-L208 PolarHBondContact O-N 2.61Å; P206-L208 VanDerWaalsContact O-N 3.1Å |
| 209 | Y | 85.4 | Confident | 79.5 | Confident | 9 Ų | 9 | 87.9 Ų | 87.9 | 4% | 0.035 | 49% | 0.485 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.5 | 0.4 | -176.2 | -69 | -99.5 | 0 | 0 | 0 | 113.1 | I68 R71 V200 P202 V205 P206 E207 D211 I212 L213 | I68-Y209 HydrophobicContact CG2-CD1 4.37Å; I68-Y209 HydrophobicContact CG2-CE1 3.77Å; R71-Y209 VanDerWaalsContact CD-OH 3.25Å; R71-Y209 WeakPolarHBondContact CD-OH 3.42Å; R71-Y209 VanDerWaalsContact NH1-CD1 3.33Å; R71-Y209 VanDerWaalsContact NH1-CZ 3.29Å; V200-Y209 HydrophobicContact CG1-CE2 4.28Å; V200-Y209 WeakPolarHBondContact CG1-OH 3.1Å; P202-Y209 HydrophobicContact CB-CD1 4.03Å; P202-Y209 HydrophobicContact CB-CD2 4.1Å; P202-Y209 HydrophobicContact CB-CE1 4.06Å; P202-Y209 HydrophobicContact CB-CE2 4.17Å; P202-Y209 HydrophobicContact CB-CG 4.05Å; P202-Y209 HydrophobicContact CG-CD1 4.33Å; P202-Y209 HydrophobicContact CG-CE1 3.94Å; V205-Y209 HydrophobicContact CG2-CD2 4.21Å; V205-Y209 HydrophobicContact CG2-CE2 3.72Å; V205-Y209 WeakPolarHBondContact O-CD2 3.45Å; P206-Y209 PolarHBondContact O-N 3.47Å; E207-Y209 VanDerWaalsContact C-N 3.32Å; Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-D211 PolarHBondContact O-N 3.46Å; Y209-I212 PolarHBondContact O-N 2.78Å; Y209-L213 WeakPolarHBondContact O-CG 3.46Å; Y209-L213 PolarHBondContact O-N 3.01Å |
| 210 | K | 79.3 | Confident | 78.5 | Confident | 94 Ų | 94 | 87.3 Ų | 87.3 | 41% | 0.409 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.8 | -45.4 | -177.6 | -70.9 | -175.6 | 171.4 | 175.4 | 0 | 113.3 | P206 E207 I212 L213 | P206-K210 WeakPolarHBondContact O-CG 3.35Å; P206-K210 PolarHBondContact O-N 2.81Å; E207-K210 VanDerWaalsContact CD-CE 3.42Å; E207-K210 VanDerWaalsContact OE1-CE 3.28Å; E207-K210 WeakPolarHBondContact OE1-CE 2.96Å; E207-K210 IonicContact OE1-NZ 3.36Å; E207-K210 PolarHBondContact OE1-NZ 3.33Å; E207-K210 WeakPolarHBondContact OE2-CE 3.4Å; E207-K210 IonicContact OE2-NZ 3.42Å; E207-K210 PolarHBondContact OE2-NZ 3.36Å; K210-I212 PolarHBondContact O-N 3.33Å; K210-I212 VanDerWaalsContact O-N 3.1Å; K210-L213 PolarHBondContact O-N 3.47Å |
| 211 | D | 67.3 | Low | 77.4 | Confident | 166 Ų | 166 | 91.4 Ų | 91.4 | 89% | 0.888 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.3 | -13.2 | -178.1 | -58 | -23.2 | 0 | 0 | 0 | 113.6 | Y209 | Y209-D211 VanDerWaalsContact C-N 3.34Å; Y209-D211 PolarHBondContact O-N 3.46Å |
| 212 | I | 64.9 | Low | 76.2 | Confident | 56 Ų | 56 | 93.1 Ų | 93.1 | 29% | 0.287 | 51% | 0.507 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.1 | -39.4 | -175.5 | -57.8 | 141.8 | 0 | 0 | 0 | 110.2 | I68 Y209 K210 G214 | I68-I212 HydrophobicContact CD1-CB 3.9Å; I68-I212 HydrophobicContact CD1-CD1 3.26Å; I68-I212 HydrophobicContact CD1-CG1 3.57Å; I68-I212 HydrophobicContact CD1-CG2 3.23Å; I68-I212 HydrophobicContact CG1-CD1 3.68Å; I68-I212 HydrophobicContact CG1-CG1 4.48Å; Y209-I212 PolarHBondContact O-N 2.78Å; K210-I212 PolarHBondContact O-N 3.33Å; K210-I212 VanDerWaalsContact O-N 3.1Å; I212-G214 PolarHBondContact O-N 2.89Å |
| 213 | L | 63.8 | Low | 75.1 | Confident | 99 Ų | 99 | 96.3 Ų | 96.3 | 52% | 0.518 | 52% | 0.52 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 7.7 | -176.9 | -65.1 | 175.4 | 0 | 0 | 0 | 113.4 | Y209 K210 H215 | Y209-L213 WeakPolarHBondContact O-CG 3.46Å; Y209-L213 PolarHBondContact O-N 3.01Å; K210-L213 PolarHBondContact O-N 3.47Å; L213-H215 VanDerWaalsContact C-N 3.25Å; L213-H215 PolarHBondContact O-N 2.68Å; L213-H215 VanDerWaalsContact O-N 3.17Å; L213-H215 PolarHBondContact O-ND1 2.74Å |
| 214 | G | 54.6 | Low | 73.9 | Confident | 64 Ų | 64 | 90.7 Ų | 90.7 | 66% | 0.66 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.3 | 22.2 | 167.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | I212 S216 | I212-G214 PolarHBondContact O-N 2.89Å; G214-S216 PolarHBondContact O-N 2.97Å; G214-S216 VanDerWaalsContact O-N 3.14Å |
| 215 | H | 44.8 | Very low | 72.1 | Confident | 157 Ų | 157 | 87.4 Ų | 87.4 | 73% | 0.727 | 50% | 0.5 | S | S | * | . | trans | -84.6 | 89.9 | 174.7 | -71.4 | 64.6 | 0 | 0 | 0 | 108.7 | L213 | L213-H215 VanDerWaalsContact C-N 3.25Å; L213-H215 PolarHBondContact O-N 2.68Å; L213-H215 VanDerWaalsContact O-N 3.17Å; L213-H215 PolarHBondContact O-ND1 2.74Å | ||
| 216 | S | 39.9 | Very low | 70.1 | Confident | 192 Ų | 192 | 94.4 Ų | 94.4 | 100% | 1.343 | 54% | 0.54 | S | S | * | . | trans | -81.4 | 0 | 157.6 | -58.8 | 0 | 0 | 0 | 0 | 110.2 | G214 | G214-S216 PolarHBondContact O-N 2.97Å; G214-S216 VanDerWaalsContact O-N 3.14Å |
Retrieved 216 of 216 residues in 341.3 ms
(Link to these results)