| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 37.1 | Very low | 39.9 | Very low | 227 Ų | 227 | 138.9 Ų | 138.9 | 100% | 1.118 | 80% | 0.799 | S | S | * | * | 0 | 55.2 | 0 | -59.4 | -172.2 | -171.3 | 0 | 0 | 107.2 | |||||
| 2 | D | 38.6 | Very low | 40.6 | Very low | 148 Ų | 148 | 137.6 Ų | 137.6 | 79% | 0.791 | 80% | 0.799 | S | S | * | * | 74 | 112 | 79.5 | -67.9 | -59.6 | 0 | 0 | 0 | 111.1 | |||||
| 3 | V | 42.1 | Very low | 40.4 | Very low | 136 Ų | 136 | 135.9 Ų | 135.9 | 82% | 0.824 | 79% | 0.792 | S | S | * | * | -168.1 | 125.3 | 111.9 | -175.5 | 0 | 0 | 0 | 0 | 107.9 | |||||
| 4 | S | 44.5 | Very low | 40.5 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 85% | 0.853 | 80% | 0.803 | S | S | * | * | trans | -157.2 | 115.6 | 143.2 | -17.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 5 | S | 46.6 | Very low | 40.3 | Very low | 98 Ų | 98 | 141.3 Ų | 141.3 | 69% | 0.685 | 80% | 0.803 | S | S | * | * | trans | -58.6 | 165.1 | 153.9 | 54.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 6 | T | 39.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 138.8 Ų | 138.8 | 73% | 0.73 | 81% | 0.805 | S | S | * | * | cis | -180 | 151.1 | 32.1 | -10.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 7 | S | 40.8 | Very low | 39.8 | Very low | 102 Ų | 102 | 139.4 Ų | 139.4 | 71% | 0.713 | 80% | 0.804 | S | S | * | * | trans | 37.5 | 150.4 | 140.4 | 77.2 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 8 | N | 35.1 | Very low | 39.5 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 80% | 0.795 | S | S | * | * | cis | -171.8 | 141.4 | 20.7 | -144.6 | -4.8 | 0 | 0 | 0 | 109.5 | ||||
| 9 | S | 39.2 | Very low | 39.3 | Very low | 92 Ų | 92 | 137.4 Ų | 137.4 | 64% | 0.643 | 80% | 0.798 | S | S | * | * | trans | 25.1 | 130.5 | 136.8 | -48.5 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 10 | Q | 34.8 | Very low | 39 | Very low | 194 Ų | 194 | 136.9 Ų | 136.9 | 91% | 0.907 | 80% | 0.802 | S | S | * | * | 171.2 | 133.5 | 109.3 | -93 | 175.1 | -21.6 | 0 | 0 | 114 | |||||
| 11 | I | 41 | Very low | 38.6 | Very low | 148 Ų | 148 | 134.6 Ų | 134.6 | 76% | 0.759 | 81% | 0.807 | S | S | * | * | trans | -97.4 | 152.3 | 164.5 | -53.5 | 168.6 | 0 | 0 | 0 | 107 | ||||
| 12 | P | 48.4 | Very low | 38.3 | Very low | 123 Ų | 123 | 127.4 Ų | 127.4 | 80% | 0.799 | 79% | 0.791 | S | S | * | * | -144.6 | 149.7 | 104.6 | 29.4 | -9.2 | 0 | 0 | 0 | 115.9 | |||||
| 13 | T | 38.3 | Very low | 38.4 | Very low | 116 Ų | 116 | 126.3 Ų | 126.3 | 71% | 0.712 | 79% | 0.793 | S | S | * | * | trans | -65.3 | 146.2 | 167.8 | 42.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 14 | L | 41.5 | Very low | 39 | Very low | 181 Ų | 181 | 125.8 Ų | 125.8 | 95% | 0.948 | 79% | 0.793 | S | S | * | * | trans | -132.1 | 126.6 | 156.9 | -82.9 | 171.6 | 0 | 0 | 0 | 110.9 | ||||
| 15 | H | 37.4 | Very low | 39.3 | Very low | 172 Ų | 172 | 125.4 Ų | 125.4 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | -79.1 | 148.4 | 169.1 | -94 | -106 | 0 | 0 | 0 | 111.4 | ||||
| 16 | A | 37.6 | Very low | 38.9 | Very low | 101 Ų | 101 | 126.6 Ų | 126.6 | 84% | 0.835 | 80% | 0.796 | S | S | * | * | trans | -174.5 | 120.5 | 132.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 17 | D | 33.8 | Very low | 38.6 | Very low | 148 Ų | 148 | 124.2 Ų | 124.2 | 79% | 0.791 | 80% | 0.795 | S | S | * | * | trans | -61.9 | 170.1 | 158.8 | -55.6 | -78.9 | 0 | 0 | 0 | 110.8 | ||||
| 18 | A | 35.1 | Very low | 38.4 | Very low | 79 Ų | 79 | 125.5 Ų | 125.5 | 65% | 0.653 | 80% | 0.804 | S | S | * | * | cis | -170.9 | 153.8 | 14.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 19 | L | 35.8 | Very low | 38.5 | Very low | 162 Ų | 162 | 123 Ų | 123 | 85% | 0.848 | 80% | 0.803 | S | S | * | * | trans | 72.4 | 148 | 135 | -63.9 | 168.3 | 0 | 0 | 0 | 125.4 | ||||
| 20 | C | 32.4 | Very low | 38.9 | Very low | 128 Ų | 128 | 124.9 Ų | 124.9 | 87% | 0.865 | 81% | 0.813 | S | S | * | * | trans | 90.8 | 112.3 | 164 | -56 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 21 | G | 30.3 | Very low | 39 | Very low | 88 Ų | 88 | 124.4 Ų | 124.4 | 91% | 0.907 | 81% | 0.811 | S | S | * | * | 98.7 | 137.3 | 61.9 | 0 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 22 | G | 32.1 | Very low | 38.6 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 81% | 0.814 | S | S | * | * | cis | -174 | 167.9 | 4.5 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 23 | C | 41 | Very low | 37.7 | Very low | 126 Ų | 126 | 121 Ų | 121 | 85% | 0.851 | 82% | 0.816 | S | S | * | * | trans | -72.4 | 156.7 | 175.7 | -55.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 24 | P | 53.6 | Low | 37.4 | Very low | 124 Ų | 124 | 118.8 Ų | 118.8 | 81% | 0.805 | 82% | 0.816 | S | S | * | * | trans | -99.6 | 142.7 | 159.5 | 33 | -26.6 | 0 | 0 | 0 | 112.9 | ||||
| 25 | P | 51.3 | Low | 36.9 | Very low | 114 Ų | 114 | 118.5 Ų | 118.5 | 74% | 0.74 | 82% | 0.815 | S | S | * | * | trans | -114.3 | 178.6 | 170.3 | 39.4 | -29.5 | 0 | 0 | 0 | 114.3 | ||||
| 26 | S | 38.3 | Very low | 36.6 | Very low | 123 Ų | 123 | 122.1 Ų | 122.1 | 86% | 0.86 | 82% | 0.821 | S | S | * | * | trans | 73 | 132.2 | 163.6 | 60.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 27 | G | 33.5 | Very low | 37 | Very low | 69 Ų | 69 | 122.5 Ų | 122.5 | 71% | 0.711 | 82% | 0.815 | S | S | * | * | cis | 127.8 | 122.2 | 14.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 28 | S | 34.8 | Very low | 37.1 | Very low | 130 Ų | 130 | 121.5 Ų | 121.5 | 91% | 0.909 | 82% | 0.815 | S | S | * | * | trans | -179 | 114.4 | 155 | -77.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 29 | A | 38.8 | Very low | 37.2 | Very low | 90 Ų | 90 | 125.4 Ų | 125.4 | 74% | 0.744 | 82% | 0.824 | S | S | * | * | trans | -94.4 | 167.5 | 153.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 30 | P | 47.1 | Very low | 37.5 | Very low | 131 Ų | 131 | 123.3 Ų | 123.3 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | -142.8 | 174.7 | 93 | 34.3 | -16.2 | 0 | 0 | 0 | 115.6 | |||||
| 31 | Q | 36.1 | Very low | 38.1 | Very low | 184 Ų | 184 | 122.2 Ų | 122.2 | 86% | 0.86 | 81% | 0.811 | S | S | * | * | trans | -81.3 | 160.1 | -164.4 | -58.4 | 169 | -22.3 | 0 | 0 | 115.4 | ||||
| 32 | S | 32.5 | Very low | 38.4 | Very low | 117 Ų | 117 | 123.6 Ų | 123.6 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | -177.5 | 117.6 | 124.6 | 40.7 | 0 | 0 | 0 | 0 | 107 | |||||
| 33 | G | 30.4 | Very low | 38.4 | Very low | 83 Ų | 83 | 123.5 Ų | 123.5 | 86% | 0.856 | 81% | 0.806 | S | S | * | * | 73.6 | 94.8 | 73.9 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 34 | G | 31.5 | Very low | 38.1 | Very low | 68 Ų | 68 | 122.8 Ų | 122.8 | 70% | 0.701 | 81% | 0.809 | S | S | * | * | 127.6 | 168.6 | 59.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | |||||
| 35 | L | 30.6 | Very low | 37 | Very low | 176 Ų | 176 | 120.5 Ų | 120.5 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | 93.2 | 108.8 | 167.1 | -48.2 | 173.2 | 0 | 0 | 0 | 117.6 | ||||
| 36 | W | 32.6 | Very low | 36.3 | Very low | 247 Ų | 247 | 125 Ų | 125 | 94% | 0.936 | 82% | 0.816 | S | S | * | * | trans | -55 | 154.7 | 150.6 | -66.5 | 86.8 | 0 | 0 | 0 | 110.6 | ||||
| 37 | P | 46 | Very low | 36.5 | Very low | 109 Ų | 109 | 124.9 Ų | 124.9 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | -148.8 | 150.1 | 98 | 36.7 | -18.3 | 0 | 0 | 0 | 116.2 | |||||
| 38 | T | 35.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 126 Ų | 126 | 78% | 0.779 | 82% | 0.815 | S | S | * | * | trans | 29.6 | 132.7 | 141.8 | 59.7 | 0 | 0 | 0 | 0 | 123 | ||||
| 39 | L | 37.2 | Very low | 36.5 | Very low | 162 Ų | 162 | 131.4 Ų | 131.4 | 85% | 0.848 | 82% | 0.816 | S | S | * | * | trans | -35.6 | 152.2 | 151.6 | -83.6 | 150.9 | 0 | 0 | 0 | 113.8 | ||||
| 40 | P | 41.8 | Very low | 36.6 | Very low | 117 Ų | 117 | 132.5 Ų | 132.5 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | -153.1 | -146.5 | 63.2 | 35.4 | -8.6 | 0 | 0 | 0 | 114 | |||||
| 41 | P | 45.3 | Very low | 36 | Very low | 106 Ų | 106 | 129.7 Ų | 129.7 | 69% | 0.688 | 81% | 0.81 | S | S | * | * | -115.1 | 176.7 | -86 | 37.9 | -21.1 | 0 | 0 | 0 | 114.4 | |||||
| 42 | S | 37 | Very low | 36 | Very low | 117 Ų | 117 | 130 Ų | 130 | 82% | 0.818 | 81% | 0.811 | S | S | * | * | trans | 0.6 | 129.8 | 157.2 | 57.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 43 | G | 30.5 | Very low | 36.2 | Very low | 74 Ų | 74 | 130 Ų | 130 | 76% | 0.763 | 81% | 0.808 | S | S | * | * | trans | 140.7 | 115.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 44 | A | 34.5 | Very low | 36.4 | Very low | 111 Ų | 111 | 132.8 Ų | 132.8 | 92% | 0.917 | 81% | 0.809 | S | S | * | * | trans | 56.5 | 127.4 | 144.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 45 | G | 31.4 | Very low | 36.9 | Very low | 75 Ų | 75 | 138 Ų | 138 | 77% | 0.773 | 82% | 0.815 | S | S | * | * | trans | 102.4 | 100.8 | 134 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 46 | F | 36.4 | Very low | 37.6 | Very low | 210 Ų | 210 | 135.1 Ų | 135.1 | 92% | 0.921 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80 | 140.2 | 157 | -73.2 | -85.4 | 0 | 0 | 0 | 109.7 | ||
| 47 | P | 42.9 | Very low | 38 | Very low | 119 Ų | 119 | 129.9 Ų | 129.9 | 77% | 0.773 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 130.6 | 176.1 | 31.1 | -29.7 | 0 | 0 | 0 | 111.3 | ||
| 48 | A | 35.6 | Very low | 37.8 | Very low | 94 Ų | 94 | 130 Ų | 130 | 78% | 0.777 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 145.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||
| 49 | W | 32.7 | Very low | 37.8 | Very low | 243 Ų | 243 | 129.7 Ų | 129.7 | 92% | 0.92 | 80% | 0.804 | S | S | * | * | trans | -121.3 | 154.2 | 158.1 | -87.2 | 87.6 | 0 | 0 | 0 | 109.6 | ||||
| 50 | P | 41.7 | Very low | 37.6 | Very low | 113 Ų | 113 | 133.7 Ų | 133.7 | 73% | 0.734 | 81% | 0.808 | S | S | * | * | trans | -107.9 | 159.3 | -137.4 | 38.7 | -34 | 0 | 0 | 0 | 115 | ||||
| 51 | G | 34.4 | Very low | 37.2 | Very low | 71 Ų | 71 | 134.6 Ų | 134.6 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | trans | 108.8 | 88.2 | 149.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 52 | Q | 34.5 | Very low | 36.5 | Very low | 190 Ų | 190 | 133 Ų | 133 | 89% | 0.888 | 82% | 0.815 | S | S | * | * | 179.7 | 150.3 | 124.7 | -102.8 | -175.8 | -49.6 | 0 | 0 | 111.3 | |||||
| 53 | P | 37.9 | Very low | 36.4 | Very low | 117 Ų | 117 | 136.5 Ų | 136.5 | 76% | 0.76 | 82% | 0.818 | S | S | * | * | trans | -74.8 | 132.1 | -169.4 | 28.7 | -31.7 | 0 | 0 | 0 | 112.5 | Q55 | P53-Q55 PolarHBondContact O-N 3.32Š| ||
| 54 | T | 35.1 | Very low | 37 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -65.9 | 114.6 | 175.6 | 41.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 55 | Q | 41.3 | Very low | 37.3 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 82% | 0.822 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 145.7 | 159.3 | -74.7 | -79.3 | -18.1 | 0 | 0 | 109.7 | P53 | P53-Q55 PolarHBondContact O-N 3.32Š|
| 56 | P | 44.4 | Very low | 37.7 | Very low | 116 Ų | 116 | 143.3 Ų | 143.3 | 75% | 0.753 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 150.4 | -177.5 | 30 | -31.9 | 0 | 0 | 0 | 113.2 | ||
| 57 | V | 40.8 | Very low | 37.7 | Very low | 137 Ų | 137 | 137.4 Ų | 137.4 | 83% | 0.83 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -79 | 143.7 | -178.1 | -164.2 | 0 | 0 | 0 | 0 | 110.3 | ||
| 58 | P | 43 | Very low | 37.1 | Very low | 112 Ų | 112 | 138.1 Ų | 138.1 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 148.7 | -170.7 | 7.2 | 6 | 0 | 0 | 0 | 114.1 | ||
| 59 | C | 35.3 | Very low | 37.6 | Very low | 120 Ų | 120 | 144.6 Ų | 144.6 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 137.7 | 175.8 | 45.1 | 0 | 0 | 0 | 0 | 112.6 | ||
| 60 | W | 33.4 | Very low | 38.2 | Very low | 246 Ų | 246 | 138.9 Ų | 138.9 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -112.6 | 139.8 | 162.4 | -80.9 | 92.8 | 0 | 0 | 0 | 109.8 | ||||
| 61 | T | 33.1 | Very low | 38.1 | Very low | 136 Ų | 136 | 137.8 Ų | 137.8 | 83% | 0.834 | 81% | 0.81 | S | S | * | * | trans | -90.3 | 138.6 | -166.7 | 48.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 62 | G | 31.5 | Very low | 38.7 | Very low | 72 Ų | 72 | 140.3 Ų | 140.3 | 74% | 0.742 | 81% | 0.813 | S | S | * | * | trans | 139.8 | 81.2 | 148.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 63 | Q | 34.5 | Very low | 39.2 | Very low | 191 Ų | 191 | 140.4 Ų | 140.4 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 179.2 | 151.8 | 131.2 | -87.2 | -123.5 | -75.8 | 0 | 0 | 111.2 | ||||
| 64 | P | 42.5 | Very low | 39.5 | Very low | 103 Ų | 103 | 140.8 Ų | 140.8 | 67% | 0.669 | 82% | 0.816 | S | S | * | * | trans | -95.8 | 139.1 | -153.3 | 35.4 | -31.2 | 0 | 0 | 0 | 115 | ||||
| 65 | N | 40.7 | Very low | 40.2 | Very low | 160 Ų | 160 | 138 Ų | 138 | 86% | 0.856 | 81% | 0.808 | S | S | * | * | trans | 31.6 | 108.4 | 150.2 | -67.6 | -10.2 | 0 | 0 | 0 | 119.9 | ||||
| 66 | T | 40 | Very low | 40.5 | Very low | 141 Ų | 141 | 135.7 Ų | 135.7 | 87% | 0.865 | 81% | 0.808 | S | S | * | * | trans | -148.7 | 131.8 | 134.5 | -23.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 67 | A | 35.9 | Very low | 40.5 | Very low | 85 Ų | 85 | 136.7 Ų | 136.7 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -80.4 | 129.7 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 68 | C | 31.6 | Very low | 40.8 | Very low | 134 Ų | 134 | 136 Ų | 136 | 91% | 0.905 | 81% | 0.814 | S | S | * | * | trans | -84 | 110.5 | 173.2 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 69 | W | 46.1 | Very low | 41 | Very low | 231 Ų | 231 | 137 Ų | 137 | 88% | 0.875 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -89.6 | 149 | 161.1 | -74.1 | 98.4 | 0 | 0 | 0 | 109.9 | A71 | W69-A71 PolarHBondContact O-N 3.21Š|
| 70 | P | 45.4 | Very low | 41.7 | Very low | 122 Ų | 122 | 137.2 Ų | 137.2 | 79% | 0.792 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 117.1 | 174.2 | 31 | -28 | 0 | 0 | 0 | 109.8 | ||
| 71 | A | 38 | Very low | 42.6 | Very low | 90 Ų | 90 | 129.7 Ų | 129.7 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 143.7 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | W69 | W69-A71 PolarHBondContact O-N 3.21Š|
| 72 | P | 47.8 | Very low | 43.2 | Very low | 124 Ų | 124 | 129 Ų | 129 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 140.4 | 178.3 | 29.2 | -31.3 | 0 | 0 | 0 | 111.5 | ||
| 73 | Q | 45.1 | Very low | 44.2 | Very low | 193 Ų | 193 | 133.2 Ų | 133.2 | 90% | 0.902 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 138.2 | 175.3 | -77.2 | -177.1 | -87.5 | 0 | 0 | 111.5 | ||
| 74 | P | 43.6 | Very low | 44.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 141.6 | 167.1 | 28.6 | -29.4 | 0 | 0 | 0 | 111.1 | ||
| 75 | A | 51 | Low | 45.1 | Very low | 85 Ų | 85 | 131.6 Ų | 131.6 | 70% | 0.702 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 153.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | V77 | A75-V77 PolarHBondContact O-N 2.92Š|
| 76 | P | 47.2 | Very low | 45.7 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -68 | 128.8 | 178.7 | 26.9 | -32.2 | 0 | 0 | 0 | 111 | ||
| 77 | V | 44.7 | Very low | 46 | Very low | 136 Ų | 136 | 127 Ų | 127 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 124.6 | 171.1 | -76.1 | 0 | 0 | 0 | 0 | 110 | A75 V79 | A75-V77 PolarHBondContact O-N 2.92Å; V77-V79 PolarHBondContact O-N 3.02Å |
| 78 | S | 46.4 | Very low | 46.4 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 117.8 | 173 | -59.6 | 0 | 0 | 0 | 0 | 110.5 | ||
| 79 | V | 46.7 | Very low | 47.2 | Very low | 132 Ų | 132 | 128.8 Ų | 128.8 | 80% | 0.8 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 133 | 168.4 | -91.7 | 0 | 0 | 0 | 0 | 110 | V77 | V77-V79 PolarHBondContact O-N 3.02Š|
| 80 | P | 51 | Low | 47.2 | Very low | 125 Ų | 125 | 126 Ų | 126 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 145.1 | 170.2 | 7.8 | 4.8 | 0 | 0 | 0 | 110.6 | ||
| 81 | A | 52.2 | Low | 47.1 | Very low | 88 Ų | 88 | 126.2 Ų | 126.2 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 149 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I83 | A81-I83 PolarHBondContact O-N 2.71Š|
| 82 | P | 44.8 | Very low | 47.6 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68 | 123.6 | 176.4 | 26.5 | -31.6 | 0 | 0 | 0 | 110.8 | S84 | P82-S84 PolarHBondContact O-N 3.43Š|
| 83 | I | 53.5 | Low | 47.6 | Very low | 161 Ų | 161 | 129 Ų | 129 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 121.2 | 166.4 | 25.5 | 172.9 | 0 | 0 | 0 | 109.6 | A81 V85 | A81-I83 PolarHBondContact O-N 2.71Å; I83-V85 PolarHBondContact O-N 2.66Å |
| 84 | S | 48 | Very low | 48.3 | Very low | 121 Ų | 121 | 125.2 Ų | 125.2 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | trans | -72.4 | 114.7 | 175.1 | -45.2 | 0 | 0 | 0 | 0 | 109.5 | P82 | P82-S84 PolarHBondContact O-N 3.43Š| ||
| 85 | V | 46.5 | Very low | 48.8 | Very low | 139 Ų | 139 | 125.4 Ų | 125.4 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 120.4 | 173.7 | -137.5 | 0 | 0 | 0 | 0 | 108.2 | I83 | I83-V85 PolarHBondContact O-N 2.66Š|
| 86 | S | 53.2 | Low | 48.7 | Very low | 117 Ų | 117 | 125.5 Ų | 125.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 134 | 174.5 | -42.4 | 0 | 0 | 0 | 0 | 110.4 | ||
| 87 | A | 47.8 | Very low | 48.8 | Very low | 88 Ų | 88 | 125.6 Ų | 125.6 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -62.7 | 145.1 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 88 | P | 44.6 | Very low | 48.8 | Very low | 123 Ų | 123 | 125.4 Ų | 125.4 | 80% | 0.799 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -70 | 133.8 | 175.7 | 27.6 | -31.7 | 0 | 0 | 0 | 111 | Q90 | P88-Q90 PolarHBondContact O-N 2.77Š|
| 89 | T | 47.9 | Very low | 48.6 | Very low | 133 Ų | 133 | 123.8 Ų | 123.8 | 82% | 0.816 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 122.4 | 173.6 | -46.6 | 0 | 0 | 0 | 0 | 110.3 | V91 | T89-V91 PolarHBondContact O-N 2.97Š|
| 90 | Q | 45.7 | Very low | 48.3 | Very low | 173 Ų | 173 | 123.6 Ų | 123.6 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 118.2 | 172.5 | -70.9 | -84.9 | -6.6 | 0 | 0 | 109.5 | P88 I92 | P88-Q90 PolarHBondContact O-N 2.77Å; Q90-I92 PolarHBondContact O-N 3.35Å |
| 91 | V | 44 | Very low | 48 | Very low | 127 Ų | 127 | 125.3 Ų | 125.3 | 77% | 0.77 | 79% | 0.79 | S | S | * | * | trans | -79 | 108.9 | 166.9 | 176.3 | 0 | 0 | 0 | 0 | 107.1 | T89 T93 | T89-V91 PolarHBondContact O-N 2.97Å; V91-T93 PolarHBondContact O-N 3.37Å | ||
| 92 | I | 47.2 | Very low | 47.6 | Very low | 156 Ų | 156 | 127.1 Ų | 127.1 | 80% | 0.8 | 79% | 0.792 | S | S | * | * | trans | -71.1 | 110.1 | 173.2 | -59.2 | 172.6 | 0 | 0 | 0 | 107.5 | Q90 | Q90-I92 PolarHBondContact O-N 3.35Š| ||
| 93 | T | 49.4 | Very low | 47.5 | Very low | 116 Ų | 116 | 127 Ų | 127 | 71% | 0.712 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 136.6 | 165.6 | 40.2 | 0 | 0 | 0 | 0 | 109.7 | V91 | V91-T93 PolarHBondContact O-N 3.37Š|
| 94 | P | 58.7 | Low | 47 | Very low | 114 Ų | 114 | 123.5 Ų | 123.5 | 74% | 0.74 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 149.6 | 172.4 | 27.5 | -31.1 | 0 | 0 | 0 | 110.8 | ||
| 95 | P | 54.8 | Low | 46.9 | Very low | 128 Ų | 128 | 123.7 Ų | 123.7 | 83% | 0.831 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 145.7 | 178.7 | 28.6 | -32.1 | 0 | 0 | 0 | 111.7 | ||
| 96 | A | 48.8 | Very low | 47 | Very low | 87 Ų | 87 | 123.8 Ų | 123.8 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 151.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 97 | P | 49.4 | Very low | 46.3 | Very low | 129 Ų | 129 | 127.1 Ų | 127.1 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 135.7 | -177.3 | 28.3 | -32.8 | 0 | 0 | 0 | 112.2 | A99 | P97-A99 PolarHBondContact O-N 3.4Š|
| 98 | T | 44.4 | Very low | 46 | Very low | 132 Ų | 132 | 129.2 Ų | 129.2 | 81% | 0.81 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.6 | 124.9 | 174.6 | -53.4 | 0 | 0 | 0 | 0 | 111.2 | T100 | T98-T100 PolarHBondContact O-N 3.03Š|
| 99 | A | 41.2 | Very low | 46.2 | Very low | 90 Ų | 90 | 129.1 Ų | 129.1 | 74% | 0.744 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -77 | 118.1 | 168.6 | 0 | 0 | 0 | 0 | 0 | 110 | P97 L101 | P97-A99 PolarHBondContact O-N 3.4Å; A99-L101 PolarHBondContact O-N 2.78Å |
| 100 | T | 40.9 | Very low | 45.7 | Very low | 128 Ų | 128 | 129.2 Ų | 129.2 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -71.1 | 109.8 | 173.5 | -47.1 | 0 | 0 | 0 | 0 | 109.6 | T98 V102 | T98-T100 PolarHBondContact O-N 3.03Å; T100-V102 PolarHBondContact O-N 2.94Å | ||
| 101 | L | 44.4 | Very low | 45.5 | Very low | 161 Ų | 161 | 126.9 Ų | 126.9 | 84% | 0.843 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -77.8 | 117.2 | 169.4 | -77.5 | 165.6 | 0 | 0 | 0 | 109.4 | A99 | A99-L101 PolarHBondContact O-N 2.78Š|
| 102 | V | 44.7 | Very low | 45.3 | Very low | 127 Ų | 127 | 125.7 Ų | 125.7 | 77% | 0.77 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 126.3 | 169.1 | -179.3 | 0 | 0 | 0 | 0 | 108.3 | T100 | T100-V102 PolarHBondContact O-N 2.94Š|
| 103 | P | 43.1 | Very low | 44.8 | Very low | 117 Ų | 117 | 125.1 Ų | 125.1 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 137.6 | 173.7 | -9.2 | 25.1 | 0 | 0 | 0 | 111.2 | ||
| 104 | A | 43 | Very low | 44.3 | Very low | 88 Ų | 88 | 128.5 Ų | 128.5 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 149.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 105 | P | 46.3 | Very low | 43.2 | Very low | 125 Ų | 125 | 132 Ų | 132 | 81% | 0.812 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 143 | -176 | 28.4 | -32.7 | 0 | 0 | 0 | 113 | ||
| 106 | V | 46.8 | Very low | 42.7 | Very low | 140 Ų | 140 | 131.9 Ų | 131.9 | 85% | 0.848 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 128.1 | 178.7 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | ||
| 107 | Q | 40.3 | Very low | 42.1 | Very low | 188 Ų | 188 | 133.5 Ų | 133.5 | 88% | 0.879 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 131.5 | 170.1 | -73.5 | -175.4 | -54.7 | 0 | 0 | 111 | ||
| 108 | V | 41.3 | Very low | 41.5 | Very low | 132 Ų | 132 | 135.9 Ų | 135.9 | 80% | 0.8 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 135.2 | 176.2 | -176.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 109 | P | 47.3 | Very low | 41.6 | Very low | 120 Ų | 120 | 134.7 Ų | 134.7 | 78% | 0.779 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 136.6 | 173.3 | 13.4 | 0.6 | 0 | 0 | 0 | 111.7 | ||
| 110 | T | 38 | Very low | 41.3 | Very low | 136 Ų | 136 | 136 Ų | 136 | 83% | 0.834 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 150.9 | 169.7 | 33.9 | 0 | 0 | 0 | 0 | 111.8 | ||
| 111 | P | 40.7 | Very low | 40.9 | Very low | 124 Ų | 124 | 141.8 Ų | 141.8 | 81% | 0.805 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -84.9 | 146.5 | -176.8 | 27.8 | -23.3 | 0 | 0 | 0 | 113.6 | ||
| 112 | A | 40.3 | Very low | 41 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 141.8 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 113 | V | 37.9 | Very low | 40.6 | Very low | 144 Ų | 144 | 138.2 Ų | 138.2 | 87% | 0.873 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 127.8 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 109.5 | ||
| 114 | Q | 37.5 | Very low | 40.3 | Very low | 187 Ų | 187 | 139 Ų | 139 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 141.5 | 176.2 | -70.1 | 176.3 | -30.8 | 0 | 0 | 111.9 | ||
| 115 | Q | 35.6 | Very low | 40 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 88% | 0.879 | 83% | 0.826 | S | S | * | * | trans | -115.9 | 146.2 | 161.7 | -103.8 | -176.1 | -25.3 | 0 | 0 | 110.3 | ||||
| 116 | P | 44.6 | Very low | 39.4 | Very low | 125 Ų | 125 | 148.4 Ų | 148.4 | 81% | 0.812 | 83% | 0.83 | S | S | * | * | trans | -85.8 | 152.8 | -167 | 32.7 | -30.3 | 0 | 0 | 0 | 113.9 | ||||
| 117 | C | 35.8 | Very low | 38.9 | Very low | 121 Ų | 121 | 150 Ų | 150 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | -65.5 | 158.2 | -175.9 | -50 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 118 | Q | 36.9 | Very low | 38.8 | Very low | 180 Ų | 180 | 146.6 Ų | 146.6 | 84% | 0.841 | 82% | 0.822 | S | S | * | * | trans | 161.4 | 161.7 | 132.2 | -77.2 | -101.2 | -35.5 | 0 | 0 | 110.9 | ||||
| 119 | P | 48 | Very low | 38.6 | Very low | 106 Ų | 106 | 146 Ų | 146 | 69% | 0.688 | 82% | 0.824 | S | S | * | * | -122 | 176.3 | -62.2 | 34.4 | -16.3 | 0 | 0 | 0 | 113.1 | |||||
| 120 | C | 33.2 | Very low | 38.5 | Very low | 119 Ų | 119 | 149.1 Ų | 149.1 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -79.5 | 144.3 | -162.2 | -42.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 121 | W | 33.3 | Very low | 38.9 | Very low | 249 Ų | 249 | 151.5 Ų | 151.5 | 94% | 0.943 | 83% | 0.83 | S | S | * | * | trans | -144.3 | 144.6 | 152 | -76.7 | 98.6 | 0 | 0 | 0 | 110.4 | ||||
| 122 | P | 46.9 | Very low | 39 | Very low | 118 Ų | 118 | 151.2 Ų | 151.2 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | trans | -101.4 | 130.3 | -171.2 | 35.7 | -26.4 | 0 | 0 | 0 | 112.4 | ||||
| 123 | A | 36.7 | Very low | 39.3 | Very low | 95 Ų | 95 | 150.6 Ų | 150.6 | 79% | 0.785 | 82% | 0.823 | S | S | * | * | trans | -156.7 | 114.7 | 153.3 | 0 | 0 | 0 | 0 | 0 | 110 | Q125 | A123-Q125 PolarHBondContact O-N 2.76Š| ||
| 124 | T | 35.8 | Very low | 39.4 | Very low | 132 Ų | 132 | 149.6 Ų | 149.6 | 81% | 0.81 | 82% | 0.819 | S | S | * | * | trans | -77.4 | 110.9 | -179.6 | -27.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 125 | Q | 36.7 | Very low | 39.7 | Very low | 186 Ų | 186 | 148.3 Ų | 148.3 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -129 | 109.4 | 162 | -75.8 | -101.1 | -41.6 | 0 | 0 | 107.6 | A123 Q127 | A123-Q125 PolarHBondContact O-N 2.76Å; Q125-Q127 PolarHBondContact O-N 2.75Å | ||
| 126 | Y | 35 | Very low | 39.7 | Very low | 225 Ų | 225 | 148 Ų | 148 | 88% | 0.882 | 82% | 0.815 | S | S | * | * | trans | -67 | 117.9 | 172.6 | -109.7 | -102.6 | 0 | 0 | 0 | 109 | ||||
| 127 | Q | 35.9 | Very low | 39.2 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -112.9 | 123.8 | 168.6 | -161 | 165.9 | -82.9 | 0 | 0 | 108.6 | Q125 | Q125-Q127 PolarHBondContact O-N 2.75Š| ||
| 128 | P | 38.1 | Very low | 39.3 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 75% | 0.747 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 143.2 | -178.9 | 17.1 | -18.6 | 0 | 0 | 0 | 111.8 | Q130 | P128-Q130 PolarHBondContact O-N 3.02Š|
| 129 | S | 35.7 | Very low | 39.2 | Very low | 121 Ų | 121 | 149 Ų | 149 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 121.6 | -178.5 | 52 | 0 | 0 | 0 | 0 | 112.4 | ||
| 130 | Q | 45.8 | Very low | 38.8 | Very low | 185 Ų | 185 | 149.8 Ų | 149.8 | 86% | 0.864 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 126.8 | 165.3 | -71.5 | -172.1 | 3.5 | 0 | 0 | 109.8 | P128 | P128-Q130 PolarHBondContact O-N 3.02Š|
| 131 | Q | 47.1 | Very low | 39.2 | Very low | 185 Ų | 185 | 148.6 Ų | 148.6 | 86% | 0.864 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 131.9 | 174.4 | -159.6 | 176.1 | -69.4 | 0 | 0 | 109.2 | A133 | Q131-A133 PolarHBondContact O-N 2.84Š|
| 132 | P | 42.4 | Very low | 39.4 | Very low | 118 Ų | 118 | 143 Ų | 143 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 136.1 | 176.5 | -18.3 | 30 | 0 | 0 | 0 | 111.3 | ||
| 133 | A | 47.1 | Very low | 38.9 | Very low | 88 Ų | 88 | 141.8 Ų | 141.8 | 73% | 0.727 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -63.8 | 148.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q131 I135 | Q131-A133 PolarHBondContact O-N 2.84Å; A133-I135 PolarHBondContact O-N 2.97Å |
| 134 | P | 40.1 | Very low | 39 | Very low | 123 Ų | 123 | 143.4 Ų | 143.4 | 80% | 0.799 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -68 | 133.9 | 176.2 | 26.3 | -30.8 | 0 | 0 | 0 | 110.9 | Q136 | P134-Q136 PolarHBondContact O-N 3.36Š|
| 135 | I | 42.3 | Very low | 39 | Very low | 161 Ų | 161 | 140.9 Ų | 140.9 | 83% | 0.826 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 119.7 | 172.9 | -67.3 | 164.5 | 0 | 0 | 0 | 108.4 | A133 T137 | A133-I135 PolarHBondContact O-N 2.97Å; I135-T137 PolarHBondContact O-N 3.34Å |
| 136 | Q | 36.9 | Very low | 38.6 | Very low | 181 Ų | 181 | 136.5 Ų | 136.5 | 85% | 0.846 | 81% | 0.813 | S | S | * | * | trans | -77.2 | 113.8 | 170.8 | -71.8 | -178.5 | -14.7 | 0 | 0 | 109.3 | P134 Q138 | P134-Q136 PolarHBondContact O-N 3.36Å; Q136-Q138 PolarHBondContact O-N 2.81Å | ||
| 137 | T | 32.8 | Very low | 38.5 | Very low | 130 Ų | 130 | 131.9 Ų | 131.9 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -72.1 | 113.4 | 169.4 | -31.6 | 0 | 0 | 0 | 0 | 108.7 | I135 V139 | I135-T137 PolarHBondContact O-N 3.34Å; T137-V139 PolarHBondContact O-N 3.43Å | ||
| 138 | Q | 37.5 | Very low | 38.5 | Very low | 185 Ų | 185 | 129.4 Ų | 129.4 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71 | 124.8 | 173.5 | -76.7 | -177.3 | -19.4 | 0 | 0 | 110.5 | Q136 | Q136-Q138 PolarHBondContact O-N 2.81Š|
| 139 | V | 36.7 | Very low | 38.4 | Very low | 133 Ų | 133 | 131.4 Ų | 131.4 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 127.8 | 168.8 | -176 | 0 | 0 | 0 | 0 | 108 | T137 | T137-V139 PolarHBondContact O-N 3.43Š|
| 140 | P | 37.8 | Very low | 38.4 | Very low | 122 Ų | 122 | 134.6 Ų | 134.6 | 79% | 0.792 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 133.6 | 171.9 | -18.2 | 31.8 | 0 | 0 | 0 | 111.8 | ||
| 141 | A | 42.7 | Very low | 37.9 | Very low | 93 Ų | 93 | 131.7 Ų | 131.7 | 77% | 0.769 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 154.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 142 | P | 37.3 | Very low | 37.3 | Very low | 131 Ų | 131 | 126.6 Ų | 126.6 | 85% | 0.851 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -86 | 148 | -179.7 | 33.9 | -31.5 | 0 | 0 | 0 | 112.5 | ||
| 143 | A | 37 | Very low | 37.1 | Very low | 94 Ų | 94 | 129 Ų | 129 | 78% | 0.777 | 81% | 0.809 | S | S | * | * | trans | -114 | 159 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 144 | P | 38.5 | Very low | 36.7 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 83% | 0.831 | 81% | 0.814 | S | S | * | * | trans | -99 | 146.8 | -142.9 | 36 | -33.5 | 0 | 0 | 0 | 116.3 | ||||
| 145 | G | 34.7 | Very low | 36.5 | Very low | 80 Ų | 80 | 128.4 Ų | 128.4 | 83% | 0.825 | 81% | 0.811 | S | S | * | * | trans | 80.5 | 106.3 | 134.9 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 146 | A | 30.1 | Very low | 36.1 | Very low | 93 Ų | 93 | 132.6 Ų | 132.6 | 77% | 0.769 | 82% | 0.816 | S | S | * | * | trans | -168.1 | 118.5 | 135.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 147 | T | 32.3 | Very low | 36.3 | Very low | 128 Ų | 128 | 129.5 Ų | 129.5 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | 33 | 117.7 | 146.7 | 54 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 148 | T | 35.9 | Very low | 36.5 | Very low | 124 Ų | 124 | 127.8 Ų | 127.8 | 76% | 0.761 | 81% | 0.811 | S | S | * | * | trans | 44.2 | 114.5 | 132.8 | -39.5 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 149 | I | 35.8 | Very low | 36.7 | Very low | 156 Ų | 156 | 127.4 Ų | 127.4 | 80% | 0.8 | 81% | 0.809 | S | S | * | * | 176.1 | 123.3 | 123.6 | -82.4 | 150.1 | 0 | 0 | 0 | 107.1 | |||||
| 150 | H | 35.8 | Very low | 36.8 | Very low | 188 Ų | 188 | 127.1 Ų | 127.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -81.2 | 129.9 | 177.2 | -71.9 | -107.5 | 0 | 0 | 0 | 111.3 | ||
| 151 | P | 35.3 | Very low | 36.7 | Very low | 124 Ų | 124 | 124.6 Ų | 124.6 | 81% | 0.805 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -97 | 132.2 | 157.6 | 3.2 | 17.5 | 0 | 0 | 0 | 110.5 | ||
| 152 | G | 34.8 | Very low | 36.2 | Very low | 78 Ų | 78 | 132 Ų | 132 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 156.7 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 153 | L | 37.2 | Very low | 36.3 | Very low | 169 Ų | 169 | 131.1 Ų | 131.1 | 89% | 0.885 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 147 | 164.8 | -81.3 | 129.6 | 0 | 0 | 0 | 110.5 | G155 | L153-G155 PolarHBondContact O-N 3.3Š|
| 154 | P | 39.5 | Very low | 36.1 | Very low | 128 Ų | 128 | 137.7 Ų | 137.7 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 125.1 | 174.3 | -10 | 25.6 | 0 | 0 | 0 | 111.2 | ||
| 155 | G | 35 | Very low | 35.9 | Very low | 71 Ų | 71 | 138.2 Ų | 138.2 | 73% | 0.732 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -80 | 151.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | L153 | L153-G155 PolarHBondContact O-N 3.3Š|
| 156 | W | 35.3 | Very low | 36.2 | Very low | 248 Ų | 248 | 139.6 Ų | 139.6 | 94% | 0.939 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142 | 166.8 | -64.8 | 89.2 | 0 | 0 | 0 | 110.3 | A158 | W156-A158 PolarHBondContact O-N 3.18Š|
| 157 | P | 40.6 | Very low | 36.8 | Very low | 116 Ų | 116 | 138.1 Ų | 138.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -72.2 | 131.3 | -176.8 | 26.4 | -30.9 | 0 | 0 | 0 | 112.2 | ||
| 158 | A | 36.6 | Very low | 37.1 | Very low | 94 Ų | 94 | 141.5 Ų | 141.5 | 78% | 0.777 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 145.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | W156 | W156-A158 PolarHBondContact O-N 3.18Š|
| 159 | H | 41 | Very low | 37.4 | Very low | 178 Ų | 178 | 140.9 Ų | 140.9 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 143.1 | 174.9 | -44.4 | -77.5 | 0 | 0 | 0 | 110.8 | ||
| 160 | P | 40.4 | Very low | 37.5 | Very low | 126 Ų | 126 | 136.8 Ų | 136.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 134.1 | 177 | -7.9 | 24.3 | 0 | 0 | 0 | 111.2 | ||
| 161 | G | 35.1 | Very low | 37.3 | Very low | 70 Ų | 70 | 139.7 Ų | 139.7 | 72% | 0.722 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 165.4 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 162 | W | 31.4 | Very low | 37.6 | Very low | 247 Ų | 247 | 139.8 Ų | 139.8 | 94% | 0.936 | 81% | 0.807 | S | S | * | * | trans | -123.9 | 145.9 | 159.8 | -77.5 | 92.1 | 0 | 0 | 0 | 109.2 | ||||
| 163 | P | 39.2 | Very low | 37.9 | Very low | 114 Ų | 114 | 139.7 Ų | 139.7 | 74% | 0.74 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 150.4 | -162 | 33.3 | -32.5 | 0 | 0 | 0 | 112.7 | ||||
| 164 | Y | 33.3 | Very low | 38.2 | Very low | 231 Ų | 231 | 140.9 Ų | 140.9 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -67.3 | 132.1 | 171.8 | -130.9 | -97.6 | 0 | 0 | 0 | 110.5 | ||||
| 165 | N | 33.8 | Very low | 38.3 | Very low | 139 Ų | 139 | 141.7 Ų | 141.7 | 74% | 0.743 | 80% | 0.804 | S | S | * | * | trans | -114.4 | 122.8 | 164.7 | -172.7 | 31 | 0 | 0 | 0 | 108.7 | ||||
| 166 | P | 41.3 | Very low | 38.7 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 80% | 0.803 | S | S | * | * | trans | -85.9 | 121.7 | 178.3 | 32.2 | -27.8 | 0 | 0 | 0 | 110.3 | ||||
| 167 | G | 43.5 | Very low | 39.1 | Very low | 61 Ų | 61 | 136.5 Ų | 136.5 | 63% | 0.629 | 79% | 0.792 | S | S | * | * | trans | 105 | 97.1 | 165.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 168 | Q | 38 | Very low | 39.3 | Very low | 200 Ų | 200 | 139.6 Ų | 139.6 | 94% | 0.935 | 80% | 0.799 | S | S | * | * | -166.5 | 147.3 | 127.9 | -111.1 | 176.2 | 12.3 | 0 | 0 | 112 | |||||
| 169 | S | 41.7 | Very low | 39.7 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 77% | 0.769 | 80% | 0.798 | S | S | * | * | trans | -73.4 | 139.6 | -170 | 45.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 170 | G | 38.2 | Very low | 39.9 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 79% | 0.79 | S | S | * | * | 71.7 | 109.9 | 129.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 171 | W | 32.6 | Very low | 40.5 | Very low | 249 Ų | 249 | 137 Ų | 137 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | -138.3 | 130.3 | 145 | -78.6 | 96.2 | 0 | 0 | 0 | 109 | ||||
| 172 | P | 40.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -90.2 | 138.6 | 177.4 | 34 | -28.4 | 0 | 0 | 0 | 110.8 | ||||
| 173 | G | 42.8 | Very low | 42 | Very low | 76 Ų | 76 | 133.7 Ų | 133.7 | 78% | 0.784 | 76% | 0.756 | S | S | * | * | trans | 107.5 | 81.7 | 165.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 174 | Q | 42.6 | Very low | 42.4 | Very low | 193 Ų | 193 | 134.2 Ų | 134.2 | 90% | 0.902 | 75% | 0.752 | S | S | * | * | trans | -125.9 | 109.8 | 151.3 | -71.5 | -163.5 | -0.4 | 0 | 0 | 109 | ||||
| 175 | N | 41.5 | Very low | 43.3 | Very low | 145 Ų | 145 | 128.2 Ų | 128.2 | 78% | 0.775 | 74% | 0.741 | S | S | * | * | trans | -58.6 | 133 | 162.4 | -168.9 | 5.7 | 0 | 0 | 0 | 108.2 | S177 | N175-S177 PolarHBondContact O-N 2.9Š| ||
| 176 | P | 43.4 | Very low | 44.2 | Very low | 108 Ų | 108 | 123.9 Ų | 123.9 | 70% | 0.701 | 72% | 0.721 | S | S | * | * | trans | -64.2 | 123.7 | -176.7 | -17.9 | 30.1 | 0 | 0 | 0 | 110.9 | M178 | P176-M178 PolarHBondContact O-N 2.99Š| ||
| 177 | S | 44.7 | Very low | 44.7 | Very low | 103 Ų | 103 | 126.2 Ų | 126.2 | 72% | 0.72 | 73% | 0.733 | S | S | * | * | trans | -53 | 106 | 163.5 | 22.8 | 0 | 0 | 0 | 0 | 109.9 | N175 M179 | N175-S177 PolarHBondContact O-N 2.9Å; S177-M179 PolarHBondContact O-N 2.97Å | ||
| 178 | M | 43.5 | Very low | 45.5 | Very low | 180 Ų | 180 | 126.3 Ų | 126.3 | 89% | 0.887 | 72% | 0.724 | S | S | * | * | trans | -17.5 | 98.1 | 150 | -24.7 | -177.9 | -177.9 | 0 | 0 | 111.1 | P176 | P176-M178 PolarHBondContact O-N 2.99Š| ||
| 179 | M | 44.5 | Very low | 46.8 | Very low | 153 Ų | 153 | 119.4 Ų | 119.4 | 75% | 0.754 | 71% | 0.706 | S | S | * | * | trans | -66.6 | 134.7 | 171.2 | -63.5 | -175.6 | -164.9 | 0 | 0 | 108.1 | S177 | S177-M179 PolarHBondContact O-N 2.97Š| ||
| 180 | A | 47.2 | Very low | 48.4 | Very low | 81 Ų | 81 | 119 Ų | 119 | 67% | 0.669 | 70% | 0.701 | S | S | * | * | trans | -50.1 | 140 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | H182 | A180-H182 VanDerWaalsContact C-N 3.3Å; A180-H182 PolarHBondContact O-N 2.69Å | ||
| 181 | P | 51.9 | Low | 51 | Low | 110 Ų | 110 | 117.7 Ų | 117.7 | 71% | 0.714 | 68% | 0.677 | S | S | * | * | trans | -64.2 | 97.7 | 179.4 | 25.2 | -30.1 | 0 | 0 | 0 | 107.7 | W183 | P181-W183 PolarHBondContact O-N 3.23Š| ||
| 182 | H | 48 | Very low | 53.8 | Low | 119 Ų | 119 | 110.3 Ų | 110.3 | 55% | 0.551 | 66% | 0.663 | S | S | * | * | trans | -69.1 | 121 | 173.7 | 51.5 | -99.4 | 0 | 0 | 0 | 106.3 | A180 L184 | A180-H182 VanDerWaalsContact C-N 3.3Å; A180-H182 PolarHBondContact O-N 2.69Å; H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 3.4Å | ||
| 183 | W | 49.3 | Very low | 56.5 | Low | 128 Ų | 128 | 106.3 Ų | 106.3 | 49% | 0.485 | 64% | 0.636 | S | S | . | * | trans | -63.3 | 95.1 | 171.6 | -71.2 | 105.6 | 0 | 0 | 0 | 108.5 | P181 L212 E278 | P181-W183 PolarHBondContact O-N 3.23Å; W183-L212 HydrophobicContact CE3-CD1 4.07Å; W183-L212 HydrophobicContact CE3-CD2 4.39Å; W183-L212 HydrophobicContact CH2-CD1 4.26Å; W183-L212 HydrophobicContact CH2-CD2 3.3Å; W183-L212 HydrophobicContact CH2-CG 4.37Å; W183-L212 HydrophobicContact CZ2-CD2 4.4Å; W183-L212 HydrophobicContact CZ3-CD1 3.37Å; W183-L212 HydrophobicContact CZ3-CD2 3.3Å; W183-L212 HydrophobicContact CZ3-CG 3.9Å; W183-E278 HydrophobicContact CH2-CB 3.55Å; W183-E278 HydrophobicContact CH2-CG 3.98Å; W183-E278 HydrophobicContact CZ2-CB 3.67Å; W183-E278 HydrophobicContact CZ2-CG 4.49Å | ||
| 184 | L | 49.3 | Very low | 59.1 | Low | 126 Ų | 126 | 106.7 Ų | 106.7 | 66% | 0.66 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -63 | 133 | 165.5 | -66.4 | 174.6 | 0 | 0 | 0 | 107.5 | H182 P186 | H182-L184 VanDerWaalsContact C-N 3.33Å; H182-L184 PolarHBondContact O-N 3.4Å; L184-P186 WeakPolarHBondContact O-CD 3.36Å |
| 185 | P | 50.6 | Low | 61.8 | Low | 105 Ų | 105 | 99.5 Ų | 99.5 | 68% | 0.682 | 59% | 0.59 | S | S | * | * | P | Polyproline II helix | trans | -59.4 | 129.9 | 172.1 | 24 | -30.5 | 0 | 0 | 0 | 108.4 | T187 | P185-T187 PolarHBondContact O-N 2.81Š|
| 186 | P | 54.1 | Low | 64.4 | Low | 48 Ų | 48 | 97 Ų | 97 | 31% | 0.312 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -59.1 | 138.8 | -178.3 | -31.6 | 42.6 | 0 | 0 | 0 | 111.9 | L184 S188 T322 | L184-P186 WeakPolarHBondContact O-CD 3.36Å; P186-S188 PolarHBondContact O-N 2.83Å; P186-T322 WeakPolarHBondContact CB-O 3.15Å |
| 187 | T | 52 | Low | 67 | Low | 159 Ų | 159 | 93.8 Ų | 93.8 | 98% | 0.975 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -68.9 | -10.4 | 177.8 | 44.9 | 0 | 0 | 0 | 0 | 113.2 | P185 | P185-T187 PolarHBondContact O-N 2.81Š|
| 188 | S | 59.8 | Low | 69.5 | Low | 62 Ų | 62 | 94.8 Ų | 94.8 | 43% | 0.434 | 55% | 0.55 | S | S | . | * | S | Bend | trans | -95.8 | 127 | 165.4 | 51.1 | 0 | 0 | 0 | 0 | 109.3 | P186 | P186-S188 PolarHBondContact O-N 2.83Š|
| 189 | G | 64.3 | Low | 72.1 | Confident | 55 Ų | 55 | 87 Ų | 87 | 57% | 0.567 | 51% | 0.512 | S | S | * | . | P | Polyproline II helix | trans | -52.9 | 168.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.4 | M191 | G189-M191 PolarHBondContact O-N 3.16Š|
| 190 | P | 77 | Confident | 74.5 | Confident | 102 Ų | 102 | 85 Ų | 85 | 66% | 0.662 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -56.2 | 130.4 | -175.9 | 23.8 | -33.3 | 0 | 0 | 0 | 111.1 | V320 L321 | P190-V320 HydrophobicContact CB-CG1 3.8Å; P190-L321 CarbonylContact C-O 3.55Å; P190-L321 WeakPolarHBondContact CA-O 3.42Å |
| 191 | M | 91.8 | Very high | 76.8 | Confident | 44 Ų | 44 | 89.9 Ų | 89.9 | 22% | 0.217 | 52% | 0.522 | C | S | . | . | B | Isolated β-bridge | trans | -74 | 143.4 | 175.5 | -72 | 172.8 | -83.2 | 0 | 0 | 110.2 | G189 Y195 L321 V324 | G189-M191 PolarHBondContact O-N 3.16Å; M191-Y195 HydrophobicContact CB-CD2 4.18Å; M191-Y195 HydrophobicContact CB-CE2 4.39Å; M191-Y195 HydrophobicContact CG-CE2 4.39Å; M191-Y195 HydrophobicContact SD-CD2 4.23Å; M191-Y195 HydrophobicContact SD-CE2 3.6Å; M191-Y195 VanDerWaalsContact SD-CE2 3.6Å; M191-L321 HydrophobicContact CB-CB 3.96Å; M191-L321 HydrophobicContact CE-CB 3.98Å; M191-L321 PolarHBondContact N-O 3.44Å; M191-V324 HydrophobicContact CE-CB 4.43Å; M191-V324 HydrophobicContact CE-CG2 4.05Å; M191-V324 HydrophobicContact SD-CG2 4.37Å |
| 192 | S | 92.3 | Very high | 79 | Confident | 94 Ų | 94 | 84.8 Ų | 84.8 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | P | Polyproline II helix | trans | -67.6 | 142.3 | -180 | 53.3 | 0 | 0 | 0 | 0 | 111.8 | P194 Y195 | S192-P194 CarbonylContact O-C 3.44Å; S192-Y195 WeakPolarHBondContact O-CB 3.48Å |
| 193 | V | 96.6 | Very high | 81.4 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 26% | 0.255 | 46% | 0.463 | S | S | . | . | S | Bend | trans | -118.7 | 126.1 | 172.4 | 176.6 | 0 | 0 | 0 | 0 | 107.4 | V319 L321 | V193-V319 HydrophobicContact CG1-CG1 4.35Å; V193-V319 HydrophobicContact CG2-CG1 4.2Å; V193-L321 HydrophobicContact CG2-CD1 3.98Å; V193-L321 HydrophobicContact CG2-CG 3.91Å |
| 194 | P | 97.5 | Very high | 83.7 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | S | Bend | cis | -69 | 132.2 | 11.5 | 30.3 | -37 | 0 | 0 | 0 | 113.7 | S192 I315 L316 | S192-P194 CarbonylContact O-C 3.44Å; P194-I315 WeakPolarHBondContact CA-O 3.4Å; P194-L316 HydrophobicContact CB-CD2 3.39Å |
| 195 | Y | 98.1 | Very high | 86.1 | Confident | 41 Ų | 41 | 73.2 Ų | 73.2 | 16% | 0.161 | 44% | 0.438 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 133.5 | 177.2 | 179.7 | -96 | 0 | 0 | 0 | 109.1 | M191 S192 L197 N314 I315 L321 V324 | M191-Y195 HydrophobicContact CB-CD2 4.18Å; M191-Y195 HydrophobicContact CB-CE2 4.39Å; M191-Y195 HydrophobicContact CG-CE2 4.39Å; M191-Y195 HydrophobicContact SD-CD2 4.23Å; M191-Y195 HydrophobicContact SD-CE2 3.6Å; M191-Y195 VanDerWaalsContact SD-CE2 3.6Å; S192-Y195 WeakPolarHBondContact O-CB 3.48Å; Y195-L197 HydrophobicContact CE1-CB 3.81Å; Y195-N314 CarbonylContact O-C 3.58Å; Y195-N314 VanDerWaalsContact O-CA 3.3Å; Y195-N314 WeakPolarHBondContact O-CA 3.48Å; Y195-I315 HydrophobicContact CD1-CD1 4Å; Y195-I315 HydrophobicContact CD1-CG1 4.37Å; Y195-I315 PolarHBondContact N-O 3.49Å; Y195-I315 PolarHBondContact O-N 3.1Å; Y195-L321 VanDerWaalsContact CB-CD1 3.44Å; Y195-L321 HydrophobicContact CD1-CD1 4.13Å; Y195-L321 HydrophobicContact CD2-CD1 4.2Å; Y195-L321 HydrophobicContact CG-CD1 3.68Å; Y195-V324 HydrophobicContact CD1-CG2 4.44Å; Y195-V324 HydrophobicContact CE1-CB 4.09Å; Y195-V324 HydrophobicContact CE1-CG1 3.94Å; Y195-V324 HydrophobicContact CE1-CG2 4Å |
| 196 | N | 97.4 | Very high | 88.3 | Confident | 94 Ų | 94 | 72 Ų | 72 | 50% | 0.503 | 42% | 0.422 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 131.3 | 178.8 | -57.6 | -89.5 | 0 | 0 | 0 | 108.7 | I313 N314 | N196-I313 CarbonylContact C-O 3.51Å; N196-I313 WeakPolarHBondContact CA-O 3.34Å; N196-N314 PolarHBondContact OD1-ND2 3.38Å; N196-N314 PolarHBondContact OD1-OD1 3.34Å |
| 197 | L | 97.4 | Very high | 90.5 | Very high | 39 Ų | 39 | 70 Ų | 70 | 20% | 0.204 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 127.7 | 175.8 | 176.4 | 66.7 | 0 | 0 | 0 | 109.3 | Y195 L199 M209 R312 I313 V324 V326 | Y195-L197 HydrophobicContact CE1-CB 3.81Å; L197-L199 HydrophobicContact CD2-CD2 3.92Å; L197-L199 HydrophobicContact CG-CD2 4.15Å; L197-M209 HydrophobicContact CD2-CE 3.59Å; L197-R312 CarbonylContact O-C 3.47Å; L197-R312 WeakPolarHBondContact O-CA 3.24Å; L197-I313 HydrophobicContact CB-CB 4.4Å; L197-I313 PolarHBondContact N-O 2.82Å; L197-I313 PolarHBondContact O-N 2.92Å; L197-V324 HydrophobicContact CD2-CG1 4.41Å; L197-V326 HydrophobicContact CD2-CG2 3.8Å |
| 198 | N | 97.9 | Very high | 92.7 | Very high | 124 Ų | 124 | 63.6 Ų | 63.6 | 66% | 0.663 | 37% | 0.367 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91 | 132.9 | 172 | -64.6 | -25.8 | 0 | 0 | 0 | 109.9 | D311 R312 | N198-D311 CarbonylContact C-O 3.51Å; N198-D311 WeakPolarHBondContact CA-O 3.29Å; N198-R312 WeakPolarHBondContact OD1-CG 3.33Å |
| 199 | L | 97.2 | Very high | 94.5 | Very high | 16 Ų | 16 | 60.7 Ų | 60.7 | 8% | 0.084 | 35% | 0.347 | C | S | . | . | trans | -107.9 | 97.2 | 177.2 | -57.6 | 178.9 | 0 | 0 | 0 | 108.8 | L197 R201 G202 V203 M207 D311 I313 V326 | L197-L199 HydrophobicContact CD2-CD2 3.92Å; L197-L199 HydrophobicContact CG-CD2 4.15Å; L199-R201 PolarHBondContact O-N 3.4Å; L199-G202 PolarHBondContact O-N 2.81Å; L199-V203 HydrophobicContact CD1-CG2 3.78Å; L199-M207 HydrophobicContact CD1-CE 3.6Å; L199-M207 HydrophobicContact CD1-SD 4.34Å; L199-M207 HydrophobicContact CD2-CE 3.71Å; L199-M207 HydrophobicContact CG-CE 4.3Å; L199-D311 PolarHBondContact N-O 3.48Å; L199-I313 HydrophobicContact CD1-CD1 3.75Å; L199-I313 HydrophobicContact CD1-CG1 4.05Å; L199-I313 HydrophobicContact CG-CD1 4.41Å; L199-V326 HydrophobicContact CD2-CG2 4.2Å | ||
| 200 | A | 94.4 | Very high | 96.1 | Very high | 113 Ų | 113 | 58.6 Ų | 58.6 | 93% | 0.934 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -26.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 201 | R | 95.9 | Very high | 97.2 | Very high | 183 Ų | 183 | 53.8 Ų | 53.8 | 69% | 0.691 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.7 | 4 | 178.8 | -64.7 | 179.1 | 60.9 | -174.8 | -3.2 | 113.2 | L199 | L199-R201 PolarHBondContact O-N 3.4Š|
| 202 | G | 98.1 | Very high | 97.5 | Very high | 3 Ų | 3 | 52.7 Ų | 52.7 | 3% | 0.031 | 29% | 0.287 | C | S | . | . | trans | 61.6 | -161.2 | -161.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L199 I310 | L199-G202 PolarHBondContact O-N 2.81Å; G202-I310 CarbonylContact C-O 3.51Å; G202-I310 WeakPolarHBondContact CA-O 3.39Å | ||
| 203 | V | 98.4 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.3 Ų | 48.3 | 1% | 0.012 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -84.8 | 146.1 | 171.8 | 175.7 | 0 | 0 | 0 | 0 | 109.9 | L199 M207 F226 C283 F288 L307 N308 I310 | L199-V203 HydrophobicContact CD1-CG2 3.78Å; V203-M207 HydrophobicContact CB-SD 4.12Å; V203-M207 HydrophobicContact CG1-SD 4.03Å; V203-M207 HydrophobicContact CG2-SD 3.97Å; V203-F226 HydrophobicContact CG2-CD1 3.91Å; V203-F226 HydrophobicContact CG2-CE1 4.26Å; V203-C283 HydrophobicContact CG1-CB 3.57Å; V203-C283 WeakPolarHBondContact CG1-SG 3.46Å; V203-F288 HydrophobicContact CG1-CE1 3.87Å; V203-F288 HydrophobicContact CG1-CZ 4.26Å; V203-L307 HydrophobicContact CB-CB 4.45Å; V203-L307 PolarHBondContact N-O 3.19Å; V203-L307 CarbonylContact O-C 3.57Å; V203-L307 VanDerWaalsContact O-CB 3.31Å; V203-L307 WeakPolarHBondContact O-CB 3.45Å; V203-L307 VanDerWaalsContact O-O 3.1Å; V203-N308 PolarHBondContact O-N 3.25Å; V203-I310 HydrophobicContact CB-CB 4.22Å; V203-I310 HydrophobicContact CG2-CB 3.9Å; V203-I310 HydrophobicContact CG2-CG2 3.71Å; V203-I310 PolarHBondContact N-O 2.97Å; V203-I310 VanDerWaalsContact N-O 3.13Å |
| 204 | Y | 98.3 | Very high | 97.8 | Very high | 56 Ų | 56 | 51.2 Ų | 51.2 | 22% | 0.22 | 26% | 0.264 | C | S | . | . | trans | -147.1 | 161.9 | 180 | 53.9 | -83.7 | 0 | 0 | 0 | 111 | M207 C283 T328 | Y204-M207 HydrophobicContact CD1-CB 4.24Å; Y204-M207 HydrophobicContact CD1-SD 4.42Å; Y204-M207 HydrophobicContact CD2-CB 4.12Å; Y204-M207 HydrophobicContact CE1-CB 4.05Å; Y204-M207 HydrophobicContact CE1-CG 4.05Å; Y204-M207 HydrophobicContact CE1-SD 4.2Å; Y204-M207 HydrophobicContact CE2-CB 3.93Å; Y204-M207 HydrophobicContact CG-CB 4.24Å; Y204-M207 WeakPolarHBondContact O-CB 3.47Å; Y204-M207 PolarHBondContact O-N 2.97Å; Y204-M207 VanDerWaalsContact O-N 3.08Å; Y204-C283 WeakPolarHBondContact O-CB 3.35Å; Y204-T328 HydrophobicContact CE2-CG2 3.94Å; Y204-T328 WeakPolarHBondContact CE2-OG1 3.48Å; Y204-T328 PolarHBondContact OH-OG1 3.31Å | ||
| 205 | D | 98.3 | Very high | 97.8 | Very high | 72 Ų | 72 | 47.3 Ų | 47.3 | 39% | 0.385 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.9 | 141.2 | 175.8 | -178.6 | 37.3 | 0 | 0 | 0 | 111.3 | M207 T284 P285 | D205-M207 PolarHBondContact O-N 3.06Å; D205-T284 WeakPolarHBondContact OD1-CA 3.23Å; D205-P285 HydrophobicContact CB-CG 4.46Å; D205-P285 WeakPolarHBondContact OD1-CD 3.46Å |
| 206 | K | 98.3 | Very high | 97.8 | Very high | 80 Ų | 80 | 49 Ų | 49 | 35% | 0.348 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 66.2 | 2.2 | -174.6 | -46.9 | -174.4 | 177.1 | -164.5 | 0 | 116 | M208 C283 T328 L329 P330 | K206-M208 PolarHBondContact O-N 2.88Å; K206-C283 PolarHBondContact N-O 2.85Å; K206-T328 HydrophobicContact CB-CG2 4.24Å; K206-L329 HydrophobicContact CB-CB 4.36Å; K206-L329 WeakPolarHBondContact CD-O 3.3Å; K206-L329 PolarHBondContact O-N 3.47Å; K206-P330 PolarHBondContact NZ-O 3.43Å; K206-P330 PolarHBondContact NZ-OXT 3.48Å |
| 207 | M | 98.6 | Very high | 97.8 | Very high | 5 Ų | 5 | 48.5 Ų | 48.5 | 3% | 0.025 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 122.7 | 170.2 | -177.7 | -166.3 | 164.3 | 0 | 0 | 109.7 | L199 V203 Y204 D205 C283 I313 V326 | L199-M207 HydrophobicContact CD1-CE 3.6Å; L199-M207 HydrophobicContact CD1-SD 4.34Å; L199-M207 HydrophobicContact CD2-CE 3.71Å; L199-M207 HydrophobicContact CG-CE 4.3Å; V203-M207 HydrophobicContact CB-SD 4.12Å; V203-M207 HydrophobicContact CG1-SD 4.03Å; V203-M207 HydrophobicContact CG2-SD 3.97Å; Y204-M207 HydrophobicContact CD1-CB 4.24Å; Y204-M207 HydrophobicContact CD1-SD 4.42Å; Y204-M207 HydrophobicContact CD2-CB 4.12Å; Y204-M207 HydrophobicContact CE1-CB 4.05Å; Y204-M207 HydrophobicContact CE1-CG 4.05Å; Y204-M207 HydrophobicContact CE1-SD 4.2Å; Y204-M207 HydrophobicContact CE2-CB 3.93Å; Y204-M207 HydrophobicContact CG-CB 4.24Å; Y204-M207 WeakPolarHBondContact O-CB 3.47Å; Y204-M207 PolarHBondContact O-N 2.97Å; Y204-M207 VanDerWaalsContact O-N 3.08Å; D205-M207 PolarHBondContact O-N 3.06Å; M207-C283 HydrophobicContact CB-CB 4.31Å; M207-C283 PolarHBondContact O-N 2.89Å; M207-I313 HydrophobicContact CE-CD1 4.47Å; M207-V326 HydrophobicContact CE-CB 4.34Å; M207-V326 HydrophobicContact CE-CG1 3.47Å; M207-V326 VanDerWaalsContact CE-CG1 3.47Å; M207-V326 HydrophobicContact CE-CG2 3.86Å; M207-V326 HydrophobicContact CG-CG1 3.79Å; M207-V326 HydrophobicContact SD-CG1 4.3Å |
| 208 | M | 98.6 | Very high | 97.8 | Very high | 24 Ų | 24 | 52.7 Ų | 52.7 | 12% | 0.118 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 125 | 172.8 | 175.8 | 65.1 | 82 | 0 | 0 | 109.5 | K206 K280 I281 L282 V326 E327 L329 | K206-M208 PolarHBondContact O-N 2.88Å; M208-K280 HydrophobicContact CE-CB 4.35Å; M208-K280 HydrophobicContact SD-CB 3.78Å; M208-K280 HydrophobicContact SD-CG 4.27Å; M208-I281 WeakPolarHBondContact CA-O 3.34Å; M208-I281 VanDerWaalsContact SD-C 3.58Å; M208-L282 HydrophobicContact CB-CD1 4.4Å; M208-L282 HydrophobicContact CE-CB 3.69Å; M208-L282 HydrophobicContact CE-CD1 4.25Å; M208-L282 HydrophobicContact CE-CG 4.37Å; M208-L282 HydrophobicContact SD-CB 4.13Å; M208-V326 WeakPolarHBondContact O-CA 3.24Å; M208-E327 HydrophobicContact CB-CG 3.98Å; M208-E327 HydrophobicContact CG-CG 4.39Å; M208-E327 PolarHBondContact N-O 3.49Å; M208-E327 PolarHBondContact O-N 3.16Å; M208-L329 HydrophobicContact CB-CD1 4.4Å; M208-L329 HydrophobicContact CB-CD2 4.18Å; M208-L329 HydrophobicContact CB-CG 4Å; M208-L329 HydrophobicContact CE-CD1 4Å |
| 209 | M | 98.5 | Very high | 97.8 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 129.5 | 166.1 | 167.2 | 168.5 | -77.6 | 0 | 0 | 110 | L197 I211 F226 K280 I281 I313 V324 N325 V326 | L197-M209 HydrophobicContact CD2-CE 3.59Å; M209-I211 HydrophobicContact CG-CD1 4.26Å; M209-I211 HydrophobicContact CG-CG1 3.9Å; M209-I211 HydrophobicContact SD-CD1 3.88Å; M209-I211 HydrophobicContact SD-CG1 4.01Å; M209-F226 HydrophobicContact SD-CZ 4.34Å; M209-K280 CarbonylContact O-C 3.58Å; M209-K280 WeakPolarHBondContact O-CA 3.47Å; M209-I281 HydrophobicContact CB-CB 4.42Å; M209-I281 PolarHBondContact N-O 2.81Å; M209-I281 PolarHBondContact O-N 3.18Å; M209-I313 HydrophobicContact CE-CB 4.34Å; M209-I313 HydrophobicContact CE-CD1 3.13Å; M209-I313 HydrophobicContact CE-CG1 4.29Å; M209-I313 HydrophobicContact CE-CG2 4.13Å; M209-I313 HydrophobicContact SD-CD1 3.67Å; M209-I313 HydrophobicContact SD-CG2 4.11Å; M209-V324 HydrophobicContact CE-CG1 4.14Å; M209-N325 CarbonylContact C-O 3.56Å; M209-N325 WeakPolarHBondContact CA-O 3.47Å; M209-V326 HydrophobicContact CB-CG2 4.45Å; M209-V326 HydrophobicContact CE-CG2 3.65Å |
| 210 | T | 98.6 | Very high | 97.8 | Very high | 10 Ų | 10 | 52.1 Ų | 52.1 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 125.8 | 172.6 | -61.3 | 0 | 0 | 0 | 0 | 109.6 | L212 E278 M279 K280 V324 N325 | T210-L212 HydrophobicContact CG2-CD2 4.18Å; T210-L212 HydrophobicContact CG2-CG 4.49Å; T210-E278 HydrophobicContact CG2-CG 4.32Å; T210-M279 WeakPolarHBondContact CA-O 3.21Å; T210-K280 HydrophobicContact CG2-CG 4.29Å; T210-V324 WeakPolarHBondContact O-CA 3.34Å; T210-N325 PolarHBondContact N-O 3.27Å; T210-N325 PolarHBondContact O-N 3.49Å |
| 211 | I | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 50.1 Ų | 50.1 | 1% | 0.005 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 120.9 | 178.1 | -57.9 | 166.3 | 0 | 0 | 0 | 108.1 | M209 V224 F277 E278 M279 I281 I315 L321 V324 | M209-I211 HydrophobicContact CG-CD1 4.26Å; M209-I211 HydrophobicContact CG-CG1 3.9Å; M209-I211 HydrophobicContact SD-CD1 3.88Å; M209-I211 HydrophobicContact SD-CG1 4.01Å; I211-V224 HydrophobicContact CD1-CG1 4.21Å; I211-V224 HydrophobicContact CD1-CG2 4.24Å; I211-F277 HydrophobicContact CG2-CE2 4Å; I211-F277 HydrophobicContact CG2-CZ 4.23Å; I211-E278 CarbonylContact O-C 3.54Å; I211-E278 WeakPolarHBondContact O-CA 3.35Å; I211-M279 HydrophobicContact CB-CB 4.35Å; I211-M279 HydrophobicContact CD1-SD 4.25Å; I211-M279 PolarHBondContact N-O 2.86Å; I211-M279 PolarHBondContact O-N 3.29Å; I211-I281 HydrophobicContact CD1-CD1 4.36Å; I211-I315 HydrophobicContact CD1-CD1 3.79Å; I211-I315 HydrophobicContact CG1-CD1 4.15Å; I211-I315 HydrophobicContact CG2-CD1 4.25Å; I211-L321 HydrophobicContact CG2-CD2 3.69Å; I211-V324 HydrophobicContact CG1-CG2 4.48Å; I211-V324 HydrophobicContact CG2-CG2 4.37Å |
| 212 | L | 98.4 | Very high | 98.2 | Very high | 21 Ų | 21 | 41.5 Ų | 41.5 | 11% | 0.11 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 139.5 | 169.9 | -48.3 | 178.9 | 0 | 0 | 0 | 109.8 | W183 T210 E278 T322 Y323 | W183-L212 HydrophobicContact CE3-CD1 4.07Å; W183-L212 HydrophobicContact CE3-CD2 4.39Å; W183-L212 HydrophobicContact CH2-CD1 4.26Å; W183-L212 HydrophobicContact CH2-CD2 3.3Å; W183-L212 HydrophobicContact CH2-CG 4.37Å; W183-L212 HydrophobicContact CZ2-CD2 4.4Å; W183-L212 HydrophobicContact CZ3-CD1 3.37Å; W183-L212 HydrophobicContact CZ3-CD2 3.3Å; W183-L212 HydrophobicContact CZ3-CG 3.9Å; T210-L212 HydrophobicContact CG2-CD2 4.18Å; T210-L212 HydrophobicContact CG2-CG 4.49Å; L212-E278 HydrophobicContact CD2-CB 3.59Å; L212-E278 HydrophobicContact CD2-CG 3.51Å; L212-T322 PolarHBondContact O-N 2.89Å; L212-T322 PolarHBondContact O-OG1 2.86Å; L212-Y323 HydrophobicContact CD1-CD1 3.82Å; L212-Y323 HydrophobicContact CD1-CG 4.06Å; L212-Y323 HydrophobicContact CG-CD1 3.93Å; L212-Y323 HydrophobicContact CG-CG 4.38Å; L212-Y323 PolarHBondContact N-O 3.2Å; L212-Y323 PolarHBondContact O-N 3.14Å |
| 213 | G | 97.4 | Very high | 98.2 | Very high | 3 Ų | 3 | 41.8 Ų | 41.8 | 3% | 0.031 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.8 | -169.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | P276 F277 V320 | G213-P276 CarbonylContact O-C 3.56Å; G213-P276 VanDerWaalsContact O-CA 3.24Å; G213-P276 WeakPolarHBondContact O-CA 3.48Å; G213-F277 PolarHBondContact N-O 3.36Å; G213-F277 PolarHBondContact O-N 2.94Å; G213-V320 CarbonylContact C-O 3.58Å; G213-V320 WeakPolarHBondContact CA-O 3.35Å |
| 214 | Y | 97.2 | Very high | 98.2 | Very high | 103 Ų | 103 | 41.8 Ų | 41.8 | 40% | 0.404 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 139.3 | 174.7 | -64.5 | -98.7 | 0 | 0 | 0 | 109.7 | S275 P276 V319 V320 T322 | Y214-S275 WeakPolarHBondContact CA-O 3.46Å; Y214-P276 HydrophobicContact CD1-CB 3.76Å; Y214-P276 HydrophobicContact CD1-CG 4.36Å; Y214-P276 HydrophobicContact CE1-CB 3.51Å; Y214-P276 HydrophobicContact CE1-CG 3.96Å; Y214-P276 HydrophobicContact CG-CB 4.46Å; Y214-V319 WeakPolarHBondContact O-CA 3.13Å; Y214-V319 WeakPolarHBondContact O-CG2 3.25Å; Y214-V320 PolarHBondContact N-O 3.28Å; Y214-V320 PolarHBondContact O-N 3.19Å; Y214-T322 HydrophobicContact CD2-CG2 4.02Å; Y214-T322 HydrophobicContact CE2-CG2 3.99Å |
| 215 | V | 98.6 | Very high | 98.3 | Very high | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 136.1 | 166.9 | -177.8 | 0 | 0 | 0 | 0 | 108.3 | A219 F222 F240 F271 A272 G274 S275 F277 | V215-A219 HydrophobicContact CG1-CB 3.4Å; V215-A219 VanDerWaalsContact CG1-CB 3.4Å; V215-F222 HydrophobicContact CG2-CE1 4.45Å; V215-F240 HydrophobicContact CB-CZ 4.23Å; V215-F240 HydrophobicContact CG1-CE1 3.81Å; V215-F240 HydrophobicContact CG1-CE2 3.79Å; V215-F240 HydrophobicContact CG1-CZ 3.26Å; V215-F240 HydrophobicContact CG2-CZ 3.92Å; V215-F271 HydrophobicContact CG2-CB 4.21Å; V215-F271 HydrophobicContact CG2-CD1 4.47Å; V215-A272 WeakPolarHBondContact CB-O 3.36Å; V215-G274 WeakPolarHBondContact O-CA 3.18Å; V215-G274 PolarHBondContact O-N 2.87Å; V215-S275 PolarHBondContact N-O 2.95Å; V215-F277 HydrophobicContact CG2-CD1 4.01Å; V215-F277 HydrophobicContact CG2-CE1 4.35Å |
| 216 | K | 98.2 | Very high | 98.3 | Very high | 77 Ų | 77 | 36.4 Ų | 36.4 | 34% | 0.335 | 19% | 0.192 | S | C | . | . | trans | -63.6 | 149.5 | 175 | -65.5 | -179.6 | -171.3 | 160.7 | 0 | 110.9 | N218 A219 G274 N317 D318 V319 V320 | K216-N218 PolarHBondContact O-N 2.84Å; K216-A219 VanDerWaalsContact O-CB 3.3Å; K216-A219 WeakPolarHBondContact O-CB 3.29Å; K216-A219 PolarHBondContact O-N 2.88Å; K216-A219 VanDerWaalsContact O-N 3.16Å; K216-G274 PolarHBondContact O-N 2.82Å; K216-N317 PolarHBondContact NZ-O 3.44Å; K216-D318 HydrophobicContact CB-CB 4.35Å; K216-D318 HydrophobicContact CD-CB 4.35Å; K216-D318 PolarHBondContact N-O 2.74Å; K216-V319 WeakPolarHBondContact CE-O 3.37Å; K216-V320 HydrophobicContact CG-CG2 4.24Å | ||
| 217 | A | 97.4 | Very high | 98.3 | Very high | 83 Ų | 83 | 33.5 Ų | 33.5 | 69% | 0.686 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -29 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | P273 | A217-P273 VanDerWaalsContact O-CB 3.25Å; A217-P273 WeakPolarHBondContact O-CB 3.4Å |
| 218 | N | 96.3 | Very high | 98.3 | Very high | 127 Ų | 127 | 35.5 Ų | 35.5 | 68% | 0.679 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -113.3 | 32 | 179.5 | 62.9 | -29.7 | 0 | 0 | 0 | 112 | K216 N220 | K216-N218 PolarHBondContact O-N 2.84Å; N218-N220 PolarHBondContact O-N 3.36Å |
| 219 | A | 98.1 | Very high | 98.2 | Very high | 8 Ų | 8 | 36.2 Ų | 36.2 | 7% | 0.066 | 20% | 0.201 | C | C | . | . | trans | -62 | 129 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | V215 K216 F240 D318 | V215-A219 HydrophobicContact CG1-CB 3.4Å; V215-A219 VanDerWaalsContact CG1-CB 3.4Å; K216-A219 VanDerWaalsContact O-CB 3.3Å; K216-A219 WeakPolarHBondContact O-CB 3.29Å; K216-A219 PolarHBondContact O-N 2.88Å; K216-A219 VanDerWaalsContact O-N 3.16Å; A219-F240 HydrophobicContact CB-CD2 3.86Å; A219-F240 HydrophobicContact CB-CE2 3.82Å; A219-F240 HydrophobicContact CB-CG 4.46Å; A219-F240 HydrophobicContact CB-CZ 4.39Å; A219-F240 WeakPolarHBondContact O-CB 3.41Å; A219-D318 HydrophobicContact CB-CB 3.5Å | ||
| 220 | N | 98.4 | Very high | 98.1 | Very high | 119 Ų | 119 | 43.2 Ų | 43.2 | 64% | 0.636 | 24% | 0.239 | S | C | * | . | S | Bend | trans | -87.9 | -46.9 | 166.9 | -65.9 | -54.8 | 0 | 0 | 0 | 109.7 | N218 F240 D318 | N218-N220 PolarHBondContact O-N 3.36Å; N220-F240 PolarHBondContact O-N 3.13Å; N220-D318 PolarHBondContact N-OD2 3Å |
| 221 | M | 98.6 | Very high | 98.1 | Very high | 72 Ų | 72 | 44 Ų | 44 | 36% | 0.355 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -163 | 159.7 | 177.2 | 61.2 | 179.7 | 164 | 0 | 0 | 112 | P238 R239 N317 D318 | M221-P238 WeakPolarHBondContact CA-O 3.43Å; M221-P238 VanDerWaalsContact CB-O 3.24Å; M221-P238 WeakPolarHBondContact CB-O 3.33Å; M221-R239 HydrophobicContact CB-CG 4.36Å; M221-N317 VanDerWaalsContact O-CB 3.23Å; M221-N317 WeakPolarHBondContact O-CB 3.42Å; M221-D318 PolarHBondContact N-OD2 3.01Å; M221-D318 VanDerWaalsContact O-CB 3.23Å; M221-D318 WeakPolarHBondContact O-CB 3.43Å; M221-D318 PolarHBondContact O-N 3.33Å |
| 222 | F | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.8 | 159.8 | 73.3 | -90.4 | 0 | 0 | 0 | 110.9 | V215 V224 N237 P238 F240 F271 M279 V319 | V215-F222 HydrophobicContact CG2-CE1 4.45Å; F222-V224 HydrophobicContact CD2-CG2 4.38Å; F222-V224 HydrophobicContact CE2-CG2 4.21Å; F222-N237 WeakPolarHBondContact O-CA 3.38Å; F222-N237 PolarHBondContact O-ND2 2.72Å; F222-P238 HydrophobicContact CD1-CB 4.17Å; F222-P238 HydrophobicContact CD1-CG 4.28Å; F222-P238 HydrophobicContact CE1-CB 3.73Å; F222-P238 HydrophobicContact CE1-CG 3.67Å; F222-P238 HydrophobicContact CE2-CG 3.94Å; F222-P238 HydrophobicContact CZ-CB 4.1Å; F222-P238 HydrophobicContact CZ-CG 3.5Å; F222-P238 PolarHBondContact N-O 2.81Å; F222-P238 VanDerWaalsContact O-CD 3.26Å; F222-P238 WeakPolarHBondContact O-CD 3.45Å; F222-F240 HydrophobicContact CD1-CE2 4.04Å; F222-F240 HydrophobicContact CD1-CZ 4.34Å; F222-F240 HydrophobicContact CE1-CE2 4.4Å; F222-F240 HydrophobicContact CE1-CZ 4.31Å; F222-F271 AromaticContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD2 4.17Å; F222-F271 HydrophobicContact CE1-CE1 4.19Å; F222-F271 HydrophobicContact CE1-CE2 4.34Å; F222-F271 AromaticContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CZ 4.36Å; F222-F271 AromaticContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD2 4.28Å; F222-F271 AromaticContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE2 4.01Å; F222-F271 HydrophobicContact CZ-CG 4.27Å; F222-F271 AromaticContact CZ-CZ 3.71Å; F222-F271 HydrophobicContact CZ-CZ 3.71Å; F222-M279 HydrophobicContact CE2-CE 4.01Å; F222-M279 HydrophobicContact CZ-CE 4.1Å; F222-V319 HydrophobicContact CB-CB 4.1Å; F222-V319 HydrophobicContact CB-CG1 4.14Å; F222-V319 HydrophobicContact CG-CB 4.36Å |
| 223 | T | 98.9 | Very high | 98.1 | Very high | 10 Ų | 10 | 44 Ų | 44 | 6% | 0.061 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 138.1 | -175.9 | -55.7 | 0 | 0 | 0 | 0 | 110.6 | N225 H235 I236 N237 I315 L316 N317 | T223-N225 WeakPolarHBondContact CG2-ND2 3.41Å; T223-N225 WeakPolarHBondContact CG2-OD1 3.34Å; T223-H235 WeakPolarHBondContact CG2-CE1 3.18Å; T223-H235 WeakPolarHBondContact CG2-ND1 3.39Å; T223-I236 WeakPolarHBondContact CA-O 3.23Å; T223-N237 PolarHBondContact OG1-ND2 2.84Å; T223-I315 CarbonylContact O-C 3.58Å; T223-I315 VanDerWaalsContact O-CA 3.27Å; T223-I315 WeakPolarHBondContact O-CA 3.47Å; T223-L316 PolarHBondContact N-O 3.32Å; T223-L316 VanDerWaalsContact N-O 3.11Å; T223-L316 PolarHBondContact O-N 3.24Å; T223-N317 PolarHBondContact OG1-OD1 2.88Å |
| 224 | V | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 43.9 Ų | 43.9 | 1% | 0.006 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 122.1 | 164.7 | -175.3 | 0 | 0 | 0 | 0 | 107.5 | I211 F222 F226 I236 M279 I281 I313 N314 I315 | I211-V224 HydrophobicContact CD1-CG1 4.21Å; I211-V224 HydrophobicContact CD1-CG2 4.24Å; F222-V224 HydrophobicContact CD2-CG2 4.38Å; F222-V224 HydrophobicContact CE2-CG2 4.21Å; V224-F226 HydrophobicContact CG1-CE2 3.99Å; V224-I236 HydrophobicContact CB-CB 4.29Å; V224-I236 HydrophobicContact CB-CD1 4.38Å; V224-I236 PolarHBondContact N-O 2.77Å; V224-I236 PolarHBondContact O-N 3.35Å; V224-M279 HydrophobicContact CG2-SD 4.23Å; V224-I281 HydrophobicContact CG1-CD1 4.24Å; V224-I313 HydrophobicContact CG1-CG2 4.38Å; V224-N314 WeakPolarHBondContact CA-O 3.32Å; V224-I315 HydrophobicContact CG1-CG1 4.33Å; V224-I315 HydrophobicContact CG2-CG1 4.35Å; V224-I315 HydrophobicContact CG2-CG2 4.37Å |
| 225 | N | 98.9 | Very high | 98.3 | Very high | 13 Ų | 13 | 39.7 Ų | 39.7 | 7% | 0.07 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 136.3 | -179.7 | -70.9 | -36.8 | 0 | 0 | 0 | 110.5 | T223 L227 I232 F234 H235 I313 N314 | T223-N225 WeakPolarHBondContact CG2-ND2 3.41Å; T223-N225 WeakPolarHBondContact CG2-OD1 3.34Å; N225-L227 HydrophobicContact CB-CD1 3.9Å; N225-L227 HydrophobicContact CB-CG 4.32Å; N225-I232 HydrophobicContact CB-CG2 4.19Å; N225-F234 CarbonylContact C-O 3.53Å; N225-F234 WeakPolarHBondContact CA-O 3.48Å; N225-H235 PolarHBondContact OD1-ND1 3.16Å; N225-I313 CarbonylContact O-C 3.6Å; N225-I313 WeakPolarHBondContact O-CA 3.2Å; N225-N314 HydrophobicContact CB-CB 4.36Å; N225-N314 PolarHBondContact N-O 3.29Å; N225-N314 PolarHBondContact O-N 3.22Å |
| 226 | F | 98.9 | Very high | 98.3 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 1% | 0.013 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 117.1 | 166.2 | -71.7 | -109.7 | 0 | 0 | 0 | 107.6 | V203 M209 V224 I232 A233 F234 I281 F288 I310 I313 | V203-F226 HydrophobicContact CG2-CD1 3.91Å; V203-F226 HydrophobicContact CG2-CE1 4.26Å; M209-F226 HydrophobicContact SD-CZ 4.34Å; V224-F226 HydrophobicContact CG1-CE2 3.99Å; F226-I232 CarbonylContact O-C 3.55Å; F226-A233 PolarHBondContact O-N 2.65Å; F226-F234 HydrophobicContact CB-CB 4.04Å; F226-F234 HydrophobicContact CD2-CB 4.24Å; F226-F234 AromaticContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CE1 4.43Å; F226-F234 HydrophobicContact CD2-CG 4.28Å; F226-F234 AromaticContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CE1 4.24Å; F226-F234 HydrophobicContact CG-CB 4.33Å; F226-F234 HydrophobicContact CG-CD1 4.25Å; F226-F234 PolarHBondContact N-O 3.5Å; F226-F234 PolarHBondContact O-N 2.68Å; F226-I281 HydrophobicContact CE2-CD1 3.74Å; F226-I281 HydrophobicContact CE2-CG2 4.31Å; F226-I281 HydrophobicContact CZ-CB 4.34Å; F226-I281 HydrophobicContact CZ-CD1 3.81Å; F226-I281 HydrophobicContact CZ-CG2 3.8Å; F226-F288 HydrophobicContact CD1-CE1 4.15Å; F226-F288 HydrophobicContact CD1-CZ 4.42Å; F226-F288 HydrophobicContact CE1-CE1 4.15Å; F226-I310 HydrophobicContact CB-CG2 3.69Å; F226-I310 HydrophobicContact CD1-CG2 4.23Å; F226-I310 HydrophobicContact CG-CG2 4.49Å; F226-I313 HydrophobicContact CD1-CD1 3.69Å; F226-I313 HydrophobicContact CD1-CG1 3.85Å; F226-I313 HydrophobicContact CE1-CD1 3.35Å; F226-I313 HydrophobicContact CE1-CG1 4.02Å; F226-I313 HydrophobicContact CE2-CD1 4.47Å; F226-I313 HydrophobicContact CG-CD1 4.41Å; F226-I313 HydrophobicContact CG-CG1 4.2Å; F226-I313 HydrophobicContact CZ-CD1 3.77Å; F226-I313 HydrophobicContact CZ-CG1 4.45Å |
| 227 | L | 98.8 | Very high | 98.3 | Very high | 19 Ų | 19 | 36.2 Ų | 36.2 | 10% | 0.099 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 142 | -169.5 | -56.8 | 94.7 | 0 | 0 | 0 | 111.6 | N225 D231 I310 D311 R312 N314 | N225-L227 HydrophobicContact CB-CD1 3.9Å; N225-L227 HydrophobicContact CB-CG 4.32Å; L227-D231 VanDerWaalsContact CA-O 3.29Å; L227-D231 WeakPolarHBondContact CA-O 3.44Å; L227-I310 CarbonylContact O-C 3.08Å; L227-I310 VanDerWaalsContact O-CA 3.23Å; L227-I310 WeakPolarHBondContact O-CA 3.49Å; L227-D311 PolarHBondContact O-N 3.46Å; L227-R312 HydrophobicContact CB-CB 4.2Å; L227-R312 HydrophobicContact CD1-CB 4.21Å; L227-R312 WeakPolarHBondContact CD1-O 3.39Å; L227-R312 PolarHBondContact N-O 2.83Å; L227-R312 PolarHBondContact O-N 3.02Å; L227-N314 HydrophobicContact CD1-CB 3.88Å; L227-N314 VanDerWaalsContact CD1-CG 3.44Å |
| 228 | R | 98.3 | Very high | 98.4 | Very high | 47 Ų | 47 | 32.2 Ų | 32.2 | 18% | 0.177 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 102.1 | 169.4 | 177.4 | -164.1 | 71.4 | -178.9 | 6.5 | 107.9 | N230 D231 I304 E306 Q309 I310 | R228-N230 PolarHBondContact O-N 2.89Å; R228-D231 IonicContact CZ-OD2 3.12Å; R228-D231 PolarHBondContact N-O 3.28Å; R228-D231 IonicContact NE-OD2 2.81Å; R228-D231 PolarHBondContact NE-OD2 3.14Å; R228-D231 IonicContact NH2-OD2 3.4Å; R228-D231 PolarHBondContact NH2-OD2 2.71Å; R228-D231 WeakPolarHBondContact O-CB 3.5Å; R228-D231 PolarHBondContact O-N 3.3Å; R228-I304 VanDerWaalsContact NH1-CG2 3.28Å; R228-E306 IonicContact NH1-OE2 3.98Å; R228-E306 PolarHBondContact NH1-OE2 2.86Å; R228-Q309 WeakPolarHBondContact CA-O 3.23Å; R228-Q309 HydrophobicContact CG-CB 3.69Å; R228-Q309 WeakPolarHBondContact CG-O 3.39Å; R228-I310 HydrophobicContact CB-CG1 4.31Å |
| 229 | G | 96.6 | Very high | 98.5 | Very high | 39 Ų | 39 | 29 Ų | 29 | 40% | 0.402 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.9 | -122.5 | -171.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | R312 | G229-R312 PolarHBondContact O-NH2 3.29Š|
| 230 | N | 96.6 | Very high | 98.5 | Very high | 149 Ų | 149 | 29.4 Ų | 29.4 | 80% | 0.797 | 16% | 0.156 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -88.8 | -4.3 | 177.4 | -66.9 | -16.8 | 0 | 0 | 0 | 113.9 | R228 | R228-N230 PolarHBondContact O-N 2.89Š|
| 231 | D | 98.6 | Very high | 98.5 | Very high | 27 Ų | 27 | 29.2 Ų | 29.2 | 14% | 0.144 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 156.3 | -179.1 | -59.1 | -37.6 | 0 | 0 | 0 | 111.4 | L227 R228 K253 L254 G255 I304 | L227-D231 VanDerWaalsContact CA-O 3.29Å; L227-D231 WeakPolarHBondContact CA-O 3.44Å; R228-D231 IonicContact CZ-OD2 3.12Å; R228-D231 PolarHBondContact N-O 3.28Å; R228-D231 IonicContact NE-OD2 2.81Å; R228-D231 PolarHBondContact NE-OD2 3.14Å; R228-D231 IonicContact NH2-OD2 3.4Å; R228-D231 PolarHBondContact NH2-OD2 2.71Å; R228-D231 WeakPolarHBondContact O-CB 3.5Å; R228-D231 PolarHBondContact O-N 3.3Å; D231-K253 WeakPolarHBondContact CA-O 3.36Å; D231-K253 WeakPolarHBondContact CB-O 3.47Å; D231-L254 HydrophobicContact CB-CD2 4.33Å; D231-L254 WeakPolarHBondContact OD1-CA 3.32Å; D231-G255 PolarHBondContact OD1-N 3.4Å; D231-I304 HydrophobicContact CB-CD1 3.96Å |
| 232 | I | 98.8 | Very high | 98.4 | Very high | 19 Ų | 19 | 29 Ų | 29 | 10% | 0.097 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 105 | 169.3 | -55.9 | 171 | 0 | 0 | 0 | 107.3 | N225 F226 F234 H235 H252 K253 W258 | N225-I232 HydrophobicContact CB-CG2 4.19Å; F226-I232 CarbonylContact O-C 3.55Å; I232-F234 VanDerWaalsContact C-N 3.32Å; I232-H235 HydrophobicContact CG2-CB 3.82Å; I232-H252 CarbonylContact O-C 3.56Å; I232-H252 WeakPolarHBondContact O-CA 3.4Å; I232-H252 WeakPolarHBondContact O-CB 3.21Å; I232-K253 HydrophobicContact CB-CB 3.91Å; I232-K253 HydrophobicContact CD1-CB 4.16Å; I232-K253 HydrophobicContact CD1-CD 4.22Å; I232-K253 HydrophobicContact CG1-CB 4.18Å; I232-K253 PolarHBondContact N-O 3.39Å; I232-K253 PolarHBondContact O-N 2.87Å; I232-W258 HydrophobicContact CD1-CH2 3.73Å; I232-W258 HydrophobicContact CD1-CZ2 4.28Å; I232-W258 HydrophobicContact CD1-CZ3 4.43Å |
| 233 | A | 98.8 | Very high | 98.2 | Very high | 2 Ų | 2 | 32.9 Ų | 32.9 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.7 | -36.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | F226 I304 I310 | F226-A233 PolarHBondContact O-N 2.65Å; A233-I304 HydrophobicContact CB-CB 3.9Å; A233-I304 HydrophobicContact CB-CD1 3.94Å; A233-I304 HydrophobicContact CB-CG1 4.33Å; A233-I304 HydrophobicContact CB-CG2 4.17Å; A233-I310 HydrophobicContact CB-CD1 3.43Å; A233-I310 VanDerWaalsContact CB-CD1 3.43Å; A233-I310 HydrophobicContact CB-CG1 3.73Å; A233-I310 HydrophobicContact CB-CG2 4.36Å |
| 234 | F | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 35.7 Ų | 35.7 | 0% | 0 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149.7 | 116.4 | 179.1 | 175.8 | -144.4 | 0 | 0 | 0 | 110.3 | N225 F226 I232 I236 R250 I281 F288 V290 F298 F300 | N225-F234 CarbonylContact C-O 3.53Å; N225-F234 WeakPolarHBondContact CA-O 3.48Å; F226-F234 HydrophobicContact CB-CB 4.04Å; F226-F234 HydrophobicContact CD2-CB 4.24Å; F226-F234 AromaticContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CD1 3.64Å; F226-F234 HydrophobicContact CD2-CE1 4.43Å; F226-F234 HydrophobicContact CD2-CG 4.28Å; F226-F234 AromaticContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CD1 3.86Å; F226-F234 HydrophobicContact CE2-CE1 4.24Å; F226-F234 HydrophobicContact CG-CB 4.33Å; F226-F234 HydrophobicContact CG-CD1 4.25Å; F226-F234 PolarHBondContact N-O 3.5Å; F226-F234 PolarHBondContact O-N 2.68Å; I232-F234 VanDerWaalsContact C-N 3.32Å; F234-I236 HydrophobicContact CD1-CD1 4.44Å; F234-I236 HydrophobicContact CD1-CG1 4.41Å; F234-I236 HydrophobicContact CD2-CG1 4.22Å; F234-I236 HydrophobicContact CE1-CD1 3.55Å; F234-I236 HydrophobicContact CE1-CG1 3.79Å; F234-I236 HydrophobicContact CE2-CD1 4.18Å; F234-I236 HydrophobicContact CE2-CG1 3.54Å; F234-I236 HydrophobicContact CZ-CD1 3.39Å; F234-I236 HydrophobicContact CZ-CG1 3.29Å; F234-R250 HydrophobicContact CE2-CB 4.29Å; F234-R250 HydrophobicContact CE2-CG 4.31Å; F234-I281 HydrophobicContact CE1-CG2 4.13Å; F234-F288 HydrophobicContact CB-CD2 3.95Å; F234-F288 HydrophobicContact CB-CE2 3.76Å; F234-F288 HydrophobicContact CB-CZ 4.41Å; F234-F288 HydrophobicContact CD1-CB 3.87Å; F234-F288 AromaticContact CD1-CD1 3.98Å; F234-F288 HydrophobicContact CD1-CD1 3.98Å; F234-F288 AromaticContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CE1 4.39Å; F234-F288 AromaticContact CD1-CE2 4Å; F234-F288 HydrophobicContact CD1-CE2 4Å; F234-F288 AromaticContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CZ 4.41Å; F234-F288 HydrophobicContact CE1-CB 3.53Å; F234-F288 HydrophobicContact CE1-CD1 4.27Å; F234-F288 HydrophobicContact CE1-CD2 4.11Å; F234-F288 AromaticContact CE1-CG 3.72Å; F234-F288 HydrophobicContact CE1-CG 3.72Å; F234-F288 AromaticContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CE2 4.12Å; F234-F288 HydrophobicContact CG-CG 4.24Å; F234-F288 HydrophobicContact CZ-CB 4.09Å; F234-V290 HydrophobicContact CE1-CG2 4.21Å; F234-V290 HydrophobicContact CZ-CG2 3.95Å; F234-F298 HydrophobicContact CE2-CE2 4.03Å; F234-F298 HydrophobicContact CE2-CZ 4.49Å; F234-F298 AromaticContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CZ 4.07Å; F234-F300 HydrophobicContact CB-CD1 4.28Å; F234-F300 HydrophobicContact CB-CE1 4.27Å; F234-F300 HydrophobicContact CD2-CB 4.04Å; F234-F300 AromaticContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD2 4.25Å; F234-F300 AromaticContact CD2-CE1 3.74Å; F234-F300 HydrophobicContact CD2-CE1 3.74Å; F234-F300 AromaticContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CZ 4.35Å; F234-F300 HydrophobicContact CE2-CB 3.55Å; F234-F300 AromaticContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD2 4.17Å; F234-F300 AromaticContact CE2-CG 3.57Å; F234-F300 HydrophobicContact CE2-CG 3.57Å; F234-F300 AromaticContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CE1 4.32Å; F234-F300 HydrophobicContact CZ-CB 4.02Å; F234-F300 HydrophobicContact CZ-CG 4.47Å |
| 235 | H | 98.9 | Very high | 97.9 | Very high | 15 Ų | 15 | 43.1 Ų | 43.1 | 7% | 0.069 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 129.1 | 177 | 177.6 | 66.7 | 0 | 0 | 0 | 108.8 | T223 N225 I232 N237 R250 N251 W258 | T223-H235 WeakPolarHBondContact CG2-CE1 3.18Å; T223-H235 WeakPolarHBondContact CG2-ND1 3.39Å; N225-H235 PolarHBondContact OD1-ND1 3.16Å; I232-H235 HydrophobicContact CG2-CB 3.82Å; H235-N237 WeakPolarHBondContact NE2-CB 3.31Å; H235-R250 WeakPolarHBondContact O-CA 3.37Å; H235-N251 WeakPolarHBondContact CB-O 3.49Å; H235-N251 PolarHBondContact N-O 2.93Å; H235-N251 PolarHBondContact O-N 3.35Å; H235-N251 VanDerWaalsContact O-N 3.14Å; H235-W258 HydrophobicContact CB-CH2 4.09Å; H235-W258 HydrophobicContact CB-CZ3 3.74Å; H235-W258 AromaticContact CD2-CH2 3.74Å; H235-W258 AromaticContact CD2-CZ3 3.72Å; H235-W258 AromaticContact CE1-CH2 3.96Å; H235-W258 AromaticContact CG-CH2 3.66Å; H235-W258 AromaticContact CG-CZ3 3.7Å; H235-W258 AromaticContact ND1-CH2 3.81Å; H235-W258 AromaticContact NE2-CH2 3.92Å |
| 236 | I | 98.9 | Very high | 97.9 | Very high | 1 Ų | 1 | 47.4 Ų | 47.4 | 1% | 0.005 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 123.2 | 170.5 | -47 | 173.5 | 0 | 0 | 0 | 107.5 | T223 V224 F234 P238 V248 M279 I281 V290 F298 | T223-I236 WeakPolarHBondContact CA-O 3.23Å; V224-I236 HydrophobicContact CB-CB 4.29Å; V224-I236 HydrophobicContact CB-CD1 4.38Å; V224-I236 PolarHBondContact N-O 2.77Å; V224-I236 PolarHBondContact O-N 3.35Å; F234-I236 HydrophobicContact CD1-CD1 4.44Å; F234-I236 HydrophobicContact CD1-CG1 4.41Å; F234-I236 HydrophobicContact CD2-CG1 4.22Å; F234-I236 HydrophobicContact CE1-CD1 3.55Å; F234-I236 HydrophobicContact CE1-CG1 3.79Å; F234-I236 HydrophobicContact CE2-CD1 4.18Å; F234-I236 HydrophobicContact CE2-CG1 3.54Å; F234-I236 HydrophobicContact CZ-CD1 3.39Å; F234-I236 HydrophobicContact CZ-CG1 3.29Å; I236-P238 HydrophobicContact CG2-CG 4.48Å; I236-V248 HydrophobicContact CG2-CG1 3.79Å; I236-M279 HydrophobicContact CD1-SD 4.32Å; I236-I281 HydrophobicContact CD1-CD1 3.8Å; I236-I281 HydrophobicContact CD1-CG1 4.49Å; I236-V290 HydrophobicContact CD1-CG2 4.33Å; I236-F298 HydrophobicContact CD1-CZ 4.25Å; I236-F298 HydrophobicContact CG1-CZ 4.28Å; I236-F298 HydrophobicContact CG2-CE1 4.4Å; I236-F298 HydrophobicContact CG2-CZ 4.04Å |
| 237 | N | 98.9 | Very high | 97.9 | Very high | 5 Ų | 5 | 48.1 Ų | 48.1 | 3% | 0.027 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 89.2 | -177.7 | 179.7 | -139 | 0 | 0 | 0 | 111.6 | F222 T223 H235 R239 V249 | F222-N237 WeakPolarHBondContact O-CA 3.38Å; F222-N237 PolarHBondContact O-ND2 2.72Å; T223-N237 PolarHBondContact OG1-ND2 2.84Å; H235-N237 WeakPolarHBondContact NE2-CB 3.31Å; N237-R239 PolarHBondContact O-N 3.48Å; N237-R239 PolarHBondContact OD1-NE 3.03Å; N237-R239 PolarHBondContact OD1-NH2 2.74Å; N237-R239 VanDerWaalsContact OD1-NH2 3.16Å; N237-V249 PolarHBondContact N-O 2.84Å; N237-V249 PolarHBondContact O-N 3.3Å |
| 238 | P | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 118.6 | 167.4 | -23.5 | 39.5 | 0 | 0 | 0 | 110 | M221 F222 I236 V248 F269 F271 | M221-P238 WeakPolarHBondContact CA-O 3.43Å; M221-P238 VanDerWaalsContact CB-O 3.24Å; M221-P238 WeakPolarHBondContact CB-O 3.33Å; F222-P238 HydrophobicContact CD1-CB 4.17Å; F222-P238 HydrophobicContact CD1-CG 4.28Å; F222-P238 HydrophobicContact CE1-CB 3.73Å; F222-P238 HydrophobicContact CE1-CG 3.67Å; F222-P238 HydrophobicContact CE2-CG 3.94Å; F222-P238 HydrophobicContact CZ-CB 4.1Å; F222-P238 HydrophobicContact CZ-CG 3.5Å; F222-P238 PolarHBondContact N-O 2.81Å; F222-P238 VanDerWaalsContact O-CD 3.26Å; F222-P238 WeakPolarHBondContact O-CD 3.45Å; I236-P238 HydrophobicContact CG2-CG 4.48Å; P238-V248 HydrophobicContact CB-CG2 4.13Å; P238-V248 HydrophobicContact CG-CG1 4.17Å; P238-V248 HydrophobicContact CG-CG2 4.16Å; P238-F269 HydrophobicContact CB-CE2 3.98Å; P238-F269 HydrophobicContact CB-CZ 3.93Å; P238-F271 HydrophobicContact CB-CD2 3.7Å; P238-F271 HydrophobicContact CB-CE2 3.85Å; P238-F271 HydrophobicContact CG-CD2 3.89Å; P238-F271 HydrophobicContact CG-CE2 3.48Å; P238-F271 VanDerWaalsContact CG-CE2 3.48Å; P238-F271 HydrophobicContact CG-CZ 4.22Å |
| 239 | R | 98.8 | Very high | 97.9 | Very high | 58 Ų | 58 | 45 Ų | 45 | 22% | 0.219 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 122 | 175.7 | -58.6 | 178.8 | -175.5 | 169.7 | 6.2 | 108 | M221 N237 N241 E242 Q246 V247 E261 | M221-R239 HydrophobicContact CB-CG 4.36Å; N237-R239 PolarHBondContact O-N 3.48Å; N237-R239 PolarHBondContact OD1-NE 3.03Å; N237-R239 PolarHBondContact OD1-NH2 2.74Å; N237-R239 VanDerWaalsContact OD1-NH2 3.16Å; R239-N241 VanDerWaalsContact C-N 3.32Å; R239-E242 WeakPolarHBondContact CD-OE2 3.21Å; R239-E242 IonicContact CZ-OE2 3.89Å; R239-E242 IonicContact NE-OE2 3.5Å; R239-E242 IonicContact NH1-OE2 3.85Å; R239-E242 PolarHBondContact NH1-OE2 2.86Å; R239-Q246 WeakPolarHBondContact O-CA 3.43Å; R239-V247 HydrophobicContact CB-CG1 4.01Å; R239-V247 PolarHBondContact N-O 3.21Å; R239-V247 PolarHBondContact O-N 3.08Å; R239-E261 IonicContact NH2-OE1 3.43Å |
| 240 | F | 98.4 | Very high | 98 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 8% | 0.079 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80.9 | -17.1 | -177.4 | -68.5 | -92 | 0 | 0 | 0 | 112.7 | V215 A219 N220 F222 Q246 F269 F271 P273 | V215-F240 HydrophobicContact CB-CZ 4.23Å; V215-F240 HydrophobicContact CG1-CE1 3.81Å; V215-F240 HydrophobicContact CG1-CE2 3.79Å; V215-F240 HydrophobicContact CG1-CZ 3.26Å; V215-F240 HydrophobicContact CG2-CZ 3.92Å; A219-F240 HydrophobicContact CB-CD2 3.86Å; A219-F240 HydrophobicContact CB-CE2 3.82Å; A219-F240 HydrophobicContact CB-CG 4.46Å; A219-F240 HydrophobicContact CB-CZ 4.39Å; A219-F240 WeakPolarHBondContact O-CB 3.41Å; N220-F240 PolarHBondContact O-N 3.13Å; F222-F240 HydrophobicContact CD1-CE2 4.04Å; F222-F240 HydrophobicContact CD1-CZ 4.34Å; F222-F240 HydrophobicContact CE1-CE2 4.4Å; F222-F240 HydrophobicContact CE1-CZ 4.31Å; F240-Q246 VanDerWaalsContact O-CG 3.26Å; F240-Q246 WeakPolarHBondContact O-CG 3.42Å; F240-F269 AromaticContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CZ 4.05Å; F240-F269 AromaticContact CE1-CE1 3.66Å; F240-F269 HydrophobicContact CE1-CE1 3.66Å; F240-F269 AromaticContact CE1-CZ 4Å; F240-F269 HydrophobicContact CE1-CZ 4Å; F240-F269 HydrophobicContact CG-CZ 4.38Å; F240-F269 HydrophobicContact CZ-CE1 4.3Å; F240-F269 HydrophobicContact CZ-CZ 4.25Å; F240-F271 HydrophobicContact CE1-CB 3.73Å; F240-F271 HydrophobicContact CZ-CB 3.71Å; F240-P273 HydrophobicContact CD1-CG 3.84Å; F240-P273 HydrophobicContact CE1-CG 4.2Å |
| 241 | N | 97.1 | Very high | 98.1 | Very high | 114 Ų | 114 | 36.7 Ų | 36.7 | 61% | 0.61 | 21% | 0.213 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 111.4 | 173.1 | -175.3 | -0.3 | 0 | 0 | 0 | 110.6 | R239 G244 K245 | R239-N241 VanDerWaalsContact C-N 3.32Å; N241-G244 WeakPolarHBondContact OD1-CA 3.42Å; N241-G244 PolarHBondContact OD1-N 2.68Å; N241-K245 CarbonylContact C-O 3.55Å |
| 242 | E | 96.3 | Very high | 98.2 | Very high | 69 Ų | 69 | 36.5 Ų | 36.5 | 32% | 0.322 | 21% | 0.211 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 98.1 | 167.2 | -170.2 | -174.8 | 82.7 | 0 | 0 | 107.6 | R239 G244 K245 V247 R263 | R239-E242 WeakPolarHBondContact CD-OE2 3.21Å; R239-E242 IonicContact CZ-OE2 3.89Å; R239-E242 IonicContact NE-OE2 3.5Å; R239-E242 IonicContact NH1-OE2 3.85Å; R239-E242 PolarHBondContact NH1-OE2 2.86Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 2.83Å; E242-K245 PolarHBondContact N-O 2.9Å; E242-K245 PolarHBondContact O-N 2.81Å; E242-K245 VanDerWaalsContact O-N 3.17Å; E242-V247 HydrophobicContact CB-CG1 4.09Å; E242-R263 IonicContact OE1-CZ 3.64Å; E242-R263 IonicContact OE1-NH1 2.68Å; E242-R263 PolarHBondContact OE1-NH1 3.03Å; E242-R263 IonicContact OE1-NH2 3.73Å; E242-R263 PolarHBondContact OE1-NH2 2.94Å; E242-R263 IonicContact OE2-CZ 3.01Å; E242-R263 IonicContact OE2-NH1 3.64Å; E242-R263 PolarHBondContact OE2-NH1 2.98Å; E242-R263 IonicContact OE2-NH2 2.75Å; E242-R263 PolarHBondContact OE2-NH2 2.84Å |
| 243 | G | 95.4 | Very high | 98.2 | Very high | 82 Ų | 82 | 37.4 Ų | 37.4 | 85% | 0.845 | 21% | 0.214 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 61.3 | 35.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | K245 | G243-K245 VanDerWaalsContact C-N 3.35Š|
| 244 | G | 95.9 | Very high | 98.1 | Very high | 68 Ų | 68 | 40.8 Ų | 40.8 | 70% | 0.701 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.2 | 6.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | N241 E242 | N241-G244 WeakPolarHBondContact OD1-CA 3.42Å; N241-G244 PolarHBondContact OD1-N 2.68Å; E242-G244 VanDerWaalsContact C-N 3.3Å; E242-G244 PolarHBondContact O-N 2.83Å |
| 245 | K | 96.3 | Very high | 98 | Very high | 158 Ų | 158 | 42.4 Ų | 42.4 | 69% | 0.687 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 146.8 | 178.5 | -63.6 | -176.5 | -178.8 | 179.8 | 0 | 111.7 | N241 E242 G243 | N241-K245 CarbonylContact C-O 3.55Å; E242-K245 PolarHBondContact N-O 2.9Å; E242-K245 PolarHBondContact O-N 2.81Å; E242-K245 VanDerWaalsContact O-N 3.17Å; G243-K245 VanDerWaalsContact C-N 3.35Å |
| 246 | Q | 98.3 | Very high | 97.9 | Very high | 102 Ų | 102 | 48.4 Ų | 48.4 | 48% | 0.477 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 137.7 | 168.9 | -67.8 | 175.4 | -27.3 | 0 | 0 | 109.6 | R239 F240 F269 | R239-Q246 WeakPolarHBondContact O-CA 3.43Å; F240-Q246 VanDerWaalsContact O-CG 3.26Å; F240-Q246 WeakPolarHBondContact O-CG 3.42Å; Q246-F269 HydrophobicContact CB-CB 3.9Å; Q246-F269 HydrophobicContact CB-CD1 3.81Å; Q246-F269 HydrophobicContact CB-CD2 3.74Å; Q246-F269 HydrophobicContact CB-CE1 4.2Å; Q246-F269 HydrophobicContact CB-CE2 4.16Å; Q246-F269 HydrophobicContact CB-CG 3.55Å; Q246-F269 HydrophobicContact CB-CZ 4.37Å; Q246-F269 HydrophobicContact CG-CD1 4.13Å; Q246-F269 HydrophobicContact CG-CE1 4.31Å; Q246-F269 HydrophobicContact CG-CG 4.37Å |
| 247 | V | 98.6 | Very high | 97.8 | Very high | 18 Ų | 18 | 58 Ų | 58 | 11% | 0.109 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.8 | 146.1 | -178.1 | 63.5 | 0 | 0 | 0 | 0 | 111 | R239 E242 V249 R263 F269 | R239-V247 HydrophobicContact CB-CG1 4.01Å; R239-V247 PolarHBondContact N-O 3.21Å; R239-V247 PolarHBondContact O-N 3.08Å; E242-V247 HydrophobicContact CB-CG1 4.09Å; V247-V249 HydrophobicContact CG1-CG2 4.12Å; V247-V249 HydrophobicContact CG2-CG2 4.3Å; V247-R263 HydrophobicContact CG2-CB 4.08Å; V247-R263 HydrophobicContact CG2-CG 4.05Å; V247-F269 WeakPolarHBondContact O-CE2 3.32Å |
| 248 | V | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 106.4 | 166.6 | -178.5 | 0 | 0 | 0 | 0 | 107.9 | I236 P238 R250 L265 F269 F271 F298 | I236-V248 HydrophobicContact CG2-CG1 3.79Å; P238-V248 HydrophobicContact CB-CG2 4.13Å; P238-V248 HydrophobicContact CG-CG1 4.17Å; P238-V248 HydrophobicContact CG-CG2 4.16Å; V248-R250 HydrophobicContact CG1-CG 4.49Å; V248-L265 HydrophobicContact CB-CD1 4.28Å; V248-L265 HydrophobicContact CB-CD2 4.17Å; V248-L265 HydrophobicContact CG2-CD1 4.06Å; V248-F269 HydrophobicContact CG2-CD2 3.79Å; V248-F269 HydrophobicContact CG2-CE2 3.71Å; V248-F271 HydrophobicContact CG2-CE2 4.28Å; V248-F298 HydrophobicContact CG1-CE1 4.02Å |
| 249 | V | 98.9 | Very high | 97.8 | Very high | 1 Ų | 1 | 64.7 Ų | 64.7 | 1% | 0.006 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 127.6 | 175.3 | 179.7 | 0 | 0 | 0 | 0 | 108.7 | N237 V247 E261 R263 | N237-V249 PolarHBondContact N-O 2.84Å; N237-V249 PolarHBondContact O-N 3.3Å; V247-V249 HydrophobicContact CG1-CG2 4.12Å; V247-V249 HydrophobicContact CG2-CG2 4.3Å; V249-E261 HydrophobicContact CG1-CB 4.14Å; V249-E261 HydrophobicContact CG1-CG 3.82Å; V249-E261 WeakPolarHBondContact CG1-OE1 3.11Å; V249-R263 HydrophobicContact CG2-CG 4.42Å |
| 250 | R | 98.8 | Very high | 97.8 | Very high | 10 Ų | 10 | 66.3 Ų | 66.3 | 4% | 0.038 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 142.1 | 167.5 | -49 | 97.4 | 59.7 | -173.2 | -0.6 | 111.4 | F234 H235 V248 E262 E264 F298 F300 | F234-R250 HydrophobicContact CE2-CB 4.29Å; F234-R250 HydrophobicContact CE2-CG 4.31Å; H235-R250 WeakPolarHBondContact O-CA 3.37Å; V248-R250 HydrophobicContact CG1-CG 4.49Å; R250-E262 IonicContact CZ-OE2 2.81Å; R250-E262 PolarHBondContact N-O 2.84Å; R250-E262 IonicContact NE-OE2 2.65Å; R250-E262 IonicContact NH2-OE2 2.69Å; R250-E262 PolarHBondContact NH2-OE2 2.95Å; R250-E262 PolarHBondContact O-N 3.11Å; R250-E264 PolarHBondContact NH1-O 2.79Å; R250-F298 HydrophobicContact CG-CD2 4.15Å; R250-F298 HydrophobicContact CG-CE1 4.13Å; R250-F298 HydrophobicContact CG-CE2 3.6Å; R250-F298 HydrophobicContact CG-CZ 3.59Å; R250-F300 HydrophobicContact CB-CD2 3.88Å; R250-F300 HydrophobicContact CB-CE2 4.18Å |
| 251 | N | 98.9 | Very high | 97.8 | Very high | 3 Ų | 3 | 69.7 Ų | 69.7 | 2% | 0.016 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160.5 | -174.4 | 178.2 | -150.5 | -21.2 | 0 | 0 | 0 | 111.4 | H235 W258 G259 P260 E261 R303 | H235-N251 WeakPolarHBondContact CB-O 3.49Å; H235-N251 PolarHBondContact N-O 2.93Å; H235-N251 PolarHBondContact O-N 3.35Å; H235-N251 VanDerWaalsContact O-N 3.14Å; N251-W258 HydrophobicContact CB-CE3 3.93Å; N251-W258 HydrophobicContact CB-CZ3 4.13Å; N251-G259 PolarHBondContact ND2-O 3.24Å; N251-G259 VanDerWaalsContact OD1-C 3.23Å; N251-G259 WeakPolarHBondContact OD1-CA 3.26Å; N251-G259 PolarHBondContact OD1-N 2.86Å; N251-G259 PolarHBondContact OD1-O 2.92Å; N251-P260 PolarHBondContact OD1-O 3.01Å; N251-P260 VanDerWaalsContact OD1-O 3.1Å; N251-E261 WeakPolarHBondContact ND2-CG 3.34Å; N251-R303 PolarHBondContact OD1-NH1 3.41Å; N251-R303 VanDerWaalsContact OD1-NH1 3.16Å |
| 252 | H | 98.8 | Very high | 97.9 | Very high | 23 Ų | 23 | 66.1 Ų | 66.1 | 11% | 0.106 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 158.5 | 165.3 | 74.7 | -44.4 | 0 | 0 | 0 | 108.9 | I232 G259 F300 R303 | I232-H252 CarbonylContact O-C 3.56Å; I232-H252 WeakPolarHBondContact O-CA 3.4Å; I232-H252 WeakPolarHBondContact O-CB 3.21Å; H252-G259 VanDerWaalsContact CE1-CA 3.46Å; H252-G259 WeakPolarHBondContact CE1-CA 3.41Å; H252-G259 PolarHBondContact O-N 2.79Å; H252-F300 HydrophobicContact CB-CZ 4.45Å; H252-R303 HydrophobicContact CB-CB 4.44Å; H252-R303 VanDerWaalsContact CE1-CD 3.48Å; H252-R303 WeakPolarHBondContact CE1-CD 3.49Å; H252-R303 PolarHBondContact CE1-NH1 2.8Å; H252-R303 VanDerWaalsContact ND1-CD 3.3Å; H252-R303 WeakPolarHBondContact ND1-CD 3.38Å; H252-R303 PolarHBondContact ND1-NH1 3.01Å |
| 253 | K | 98.8 | Very high | 98 | Very high | 39 Ų | 39 | 66.5 Ų | 66.5 | 17% | 0.17 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 123.5 | 176.8 | -161.9 | -168.7 | -180 | -143.6 | 0 | 109.2 | D231 I232 G255 D256 R257 W258 | D231-K253 WeakPolarHBondContact CA-O 3.36Å; D231-K253 WeakPolarHBondContact CB-O 3.47Å; I232-K253 HydrophobicContact CB-CB 3.91Å; I232-K253 HydrophobicContact CD1-CB 4.16Å; I232-K253 HydrophobicContact CD1-CD 4.22Å; I232-K253 HydrophobicContact CG1-CB 4.18Å; I232-K253 PolarHBondContact N-O 3.39Å; I232-K253 PolarHBondContact O-N 2.87Å; K253-G255 WeakPolarHBondContact CD-O 3.11Å; K253-G255 VanDerWaalsContact CE-O 3.24Å; K253-G255 WeakPolarHBondContact CE-O 3.2Å; K253-G255 WeakPolarHBondContact CG-O 3.49Å; K253-G255 PolarHBondContact NZ-O 3.43Å; K253-D256 IonicContact NZ-OD1 3.77Å; K253-D256 PolarHBondContact NZ-OD1 3.39Å; K253-R257 CarbonylContact C-O 3.59Å; K253-R257 WeakPolarHBondContact CA-O 3.34Å; K253-W258 HydrophobicContact CB-CD2 4.05Å; K253-W258 HydrophobicContact CB-CE3 3.77Å; K253-W258 HydrophobicContact CB-CH2 4.22Å; K253-W258 HydrophobicContact CB-CZ2 4.47Å; K253-W258 HydrophobicContact CB-CZ3 3.86Å; K253-W258 HydrophobicContact CD-CD2 4.3Å; K253-W258 HydrophobicContact CD-CH2 4.47Å; K253-W258 HydrophobicContact CD-CZ2 3.99Å; K253-W258 HydrophobicContact CG-CD2 3.93Å; K253-W258 HydrophobicContact CG-CE3 4.19Å; K253-W258 HydrophobicContact CG-CG 4.29Å; K253-W258 HydrophobicContact CG-CZ2 4.44Å |
| 254 | L | 98.2 | Very high | 98.1 | Very high | 72 Ų | 72 | 69.4 Ų | 69.4 | 38% | 0.377 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 114.9 | 173.9 | -69.7 | 175.6 | 0 | 0 | 0 | 109 | D231 D256 R257 I304 | D231-L254 HydrophobicContact CB-CD2 4.33Å; D231-L254 WeakPolarHBondContact OD1-CA 3.32Å; L254-D256 PolarHBondContact O-N 3.37Å; L254-R257 PolarHBondContact N-O 3.35Å; L254-R257 PolarHBondContact O-N 2.89Å; L254-I304 HydrophobicContact CD2-CD1 3.57Å; L254-I304 HydrophobicContact CD2-CG1 3.99Å |
| 255 | G | 96.2 | Very high | 98.2 | Very high | 34 Ų | 34 | 68.5 Ų | 68.5 | 35% | 0.351 | 33% | 0.332 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | -118.5 | -163.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D231 K253 | D231-G255 PolarHBondContact OD1-N 3.4Å; K253-G255 WeakPolarHBondContact CD-O 3.11Å; K253-G255 VanDerWaalsContact CE-O 3.24Å; K253-G255 WeakPolarHBondContact CE-O 3.2Å; K253-G255 WeakPolarHBondContact CG-O 3.49Å; K253-G255 PolarHBondContact NZ-O 3.43Å |
| 256 | D | 95.8 | Very high | 98.3 | Very high | 142 Ų | 142 | 67 Ų | 67 | 76% | 0.759 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.4 | 8.2 | 178.8 | -72 | -48.5 | 0 | 0 | 0 | 115.5 | K253 L254 | K253-D256 IonicContact NZ-OD1 3.77Å; K253-D256 PolarHBondContact NZ-OD1 3.39Å; L254-D256 PolarHBondContact O-N 3.37Å |
| 257 | R | 98.4 | Very high | 98.1 | Very high | 203 Ų | 203 | 63.8 Ų | 63.8 | 77% | 0.766 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 123.1 | -177.4 | -64.1 | -167.9 | -64.2 | -98.7 | -0.1 | 112.1 | K253 L254 | K253-R257 CarbonylContact C-O 3.59Å; K253-R257 WeakPolarHBondContact CA-O 3.34Å; L254-R257 PolarHBondContact N-O 3.35Å; L254-R257 PolarHBondContact O-N 2.89Å |
| 258 | W | 98.8 | Very high | 98.1 | Very high | 122 Ų | 122 | 68.2 Ų | 68.2 | 46% | 0.462 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 143.1 | 168.2 | -70.5 | 104 | 0 | 0 | 0 | 110.8 | I232 H235 N251 K253 | I232-W258 HydrophobicContact CD1-CH2 3.73Å; I232-W258 HydrophobicContact CD1-CZ2 4.28Å; I232-W258 HydrophobicContact CD1-CZ3 4.43Å; H235-W258 HydrophobicContact CB-CH2 4.09Å; H235-W258 HydrophobicContact CB-CZ3 3.74Å; H235-W258 AromaticContact CD2-CH2 3.74Å; H235-W258 AromaticContact CD2-CZ3 3.72Å; H235-W258 AromaticContact CE1-CH2 3.96Å; H235-W258 AromaticContact CG-CH2 3.66Å; H235-W258 AromaticContact CG-CZ3 3.7Å; H235-W258 AromaticContact ND1-CH2 3.81Å; H235-W258 AromaticContact NE2-CH2 3.92Å; N251-W258 HydrophobicContact CB-CE3 3.93Å; N251-W258 HydrophobicContact CB-CZ3 4.13Å; K253-W258 HydrophobicContact CB-CD2 4.05Å; K253-W258 HydrophobicContact CB-CE3 3.77Å; K253-W258 HydrophobicContact CB-CH2 4.22Å; K253-W258 HydrophobicContact CB-CZ2 4.47Å; K253-W258 HydrophobicContact CB-CZ3 3.86Å; K253-W258 HydrophobicContact CD-CD2 4.3Å; K253-W258 HydrophobicContact CD-CH2 4.47Å; K253-W258 HydrophobicContact CD-CZ2 3.99Å; K253-W258 HydrophobicContact CG-CD2 3.93Å; K253-W258 HydrophobicContact CG-CE3 4.19Å; K253-W258 HydrophobicContact CG-CG 4.29Å; K253-W258 HydrophobicContact CG-CZ2 4.44Å |
| 259 | G | 98.7 | Very high | 98 | Very high | 22 Ų | 22 | 69.8 Ų | 69.8 | 23% | 0.227 | 36% | 0.355 | C | S | . | . | trans | -79.2 | -166.8 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | N251 H252 | N251-G259 PolarHBondContact ND2-O 3.24Å; N251-G259 VanDerWaalsContact OD1-C 3.23Å; N251-G259 WeakPolarHBondContact OD1-CA 3.26Å; N251-G259 PolarHBondContact OD1-N 2.86Å; N251-G259 PolarHBondContact OD1-O 2.92Å; H252-G259 VanDerWaalsContact CE1-CA 3.46Å; H252-G259 WeakPolarHBondContact CE1-CA 3.41Å; H252-G259 PolarHBondContact O-N 2.79Å | ||
| 260 | P | 98.6 | Very high | 98 | Very high | 93 Ų | 93 | 71.3 Ų | 71.3 | 60% | 0.604 | 37% | 0.365 | S | S | * | . | trans | -69.5 | 131.4 | 170.3 | 27.2 | -32.6 | 0 | 0 | 0 | 111 | N251 R303 | N251-P260 PolarHBondContact OD1-O 3.01Å; N251-P260 VanDerWaalsContact OD1-O 3.1Å; P260-R303 VanDerWaalsContact O-CZ 3.31Å; P260-R303 PolarHBondContact O-NH1 3.46Å; P260-R303 PolarHBondContact O-NH2 2.91Å | ||
| 261 | E | 98.8 | Very high | 98 | Very high | 88 Ų | 88 | 71.2 Ų | 71.2 | 41% | 0.411 | 37% | 0.365 | S | S | . | . | trans | -70.9 | 146.5 | 176.1 | -65.6 | -176.7 | 149.6 | 0 | 0 | 111.7 | R239 V249 N251 R263 | R239-E261 IonicContact NH2-OE1 3.43Å; V249-E261 HydrophobicContact CG1-CB 4.14Å; V249-E261 HydrophobicContact CG1-CG 3.82Å; V249-E261 WeakPolarHBondContact CG1-OE1 3.11Å; N251-E261 WeakPolarHBondContact ND2-CG 3.34Å; E261-R263 IonicContact OE1-NH2 3.62Å; E261-R263 IonicContact OE2-CZ 2.95Å; E261-R263 IonicContact OE2-NE 3.9Å; E261-R263 PolarHBondContact OE2-NE 2.85Å; E261-R263 IonicContact OE2-NH2 2.78Å; E261-R263 PolarHBondContact OE2-NH2 3.17Å | ||
| 262 | E | 98.8 | Very high | 97.9 | Very high | 39 Ų | 39 | 73.2 Ų | 73.2 | 18% | 0.182 | 38% | 0.382 | C | S | . | . | B | Isolated β-bridge | trans | -116 | 134.2 | 166.3 | -63.3 | 172.9 | -151.5 | 0 | 0 | 109.2 | R250 F300 R303 | R250-E262 IonicContact CZ-OE2 2.81Å; R250-E262 PolarHBondContact N-O 2.84Å; R250-E262 IonicContact NE-OE2 2.65Å; R250-E262 IonicContact NH2-OE2 2.69Å; R250-E262 PolarHBondContact NH2-OE2 2.95Å; R250-E262 PolarHBondContact O-N 3.11Å; E262-F300 WeakPolarHBondContact OE1-CE2 3.36Å; E262-F300 WeakPolarHBondContact OE2-CD2 3.25Å; E262-R303 IonicContact OE1-CZ 2.66Å; E262-R303 IonicContact OE1-NE 3.43Å; E262-R303 IonicContact OE1-NH2 3.45Å; E262-R303 PolarHBondContact OE1-NH2 3.1Å |
| 263 | R | 98.5 | Very high | 97.9 | Very high | 78 Ų | 78 | 74.9 Ų | 74.9 | 29% | 0.294 | 40% | 0.395 | S | S | . | . | trans | -131.8 | -15.1 | -169.6 | -69.5 | 168.1 | 169.2 | -93.6 | 4.5 | 113.1 | E242 V247 V249 E261 | E242-R263 IonicContact OE1-CZ 3.64Å; E242-R263 IonicContact OE1-NH1 2.68Å; E242-R263 PolarHBondContact OE1-NH1 3.03Å; E242-R263 IonicContact OE1-NH2 3.73Å; E242-R263 PolarHBondContact OE1-NH2 2.94Å; E242-R263 IonicContact OE2-CZ 3.01Å; E242-R263 IonicContact OE2-NH1 3.64Å; E242-R263 PolarHBondContact OE2-NH1 2.98Å; E242-R263 IonicContact OE2-NH2 2.75Å; E242-R263 PolarHBondContact OE2-NH2 2.84Å; V247-R263 HydrophobicContact CG2-CB 4.08Å; V247-R263 HydrophobicContact CG2-CG 4.05Å; V249-R263 HydrophobicContact CG2-CG 4.42Å; E261-R263 IonicContact OE1-NH2 3.62Å; E261-R263 IonicContact OE2-CZ 2.95Å; E261-R263 IonicContact OE2-NE 3.9Å; E261-R263 PolarHBondContact OE2-NE 2.85Å; E261-R263 IonicContact OE2-NH2 2.78Å; E261-R263 PolarHBondContact OE2-NH2 3.17Å | ||
| 264 | E | 97.8 | Very high | 97.8 | Very high | 143 Ų | 143 | 75.2 Ų | 75.2 | 67% | 0.668 | 41% | 0.409 | S | S | * | . | trans | -72.5 | 127.9 | -176.1 | -57.3 | 77.2 | -168.3 | 0 | 0 | 111.3 | R250 | R250-E264 PolarHBondContact NH1-O 2.79Š| ||
| 265 | L | 98.1 | Very high | 97.8 | Very high | 48 Ų | 48 | 74 Ų | 74 | 25% | 0.251 | 41% | 0.406 | S | S | . | . | trans | -112.1 | 150.2 | 178.6 | -58.3 | -177.4 | 0 | 0 | 0 | 110.1 | V248 G267 L297 F298 | V248-L265 HydrophobicContact CB-CD1 4.28Å; V248-L265 HydrophobicContact CB-CD2 4.17Å; V248-L265 HydrophobicContact CG2-CD1 4.06Å; L265-G267 WeakPolarHBondContact CB-O 3.42Å; L265-G267 PolarHBondContact O-N 3.05Å; L265-L297 HydrophobicContact CB-CD1 4.45Å; L265-L297 HydrophobicContact CD1-CD1 4.25Å; L265-L297 HydrophobicContact CD2-CD2 4.47Å; L265-L297 HydrophobicContact CD2-CG 4.14Å; L265-F298 HydrophobicContact CD2-CB 4.26Å; L265-F298 HydrophobicContact CD2-CD1 3.77Å; L265-F298 HydrophobicContact CD2-CG 4.39Å | ||
| 266 | K | 97.3 | Very high | 97.9 | Very high | 128 Ų | 128 | 75.3 Ų | 75.3 | 56% | 0.557 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -71.4 | -9 | 172.5 | -63.3 | -179.8 | 179.1 | 179.6 | 0 | 112.6 | L297 E299 | K266-L297 VanDerWaalsContact CB-O 3.32Å; K266-L297 WeakPolarHBondContact CB-O 3.2Å; K266-L297 WeakPolarHBondContact CG-O 3.34Å; K266-L297 PolarHBondContact N-O 3Å; K266-E299 IonicContact NZ-OE1 3.41Å; K266-E299 PolarHBondContact NZ-OE1 3.34Å |
| 267 | G | 95.5 | Very high | 98.1 | Very high | 34 Ų | 34 | 68.9 Ų | 68.9 | 35% | 0.351 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -158.3 | -167.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | L265 | L265-G267 WeakPolarHBondContact CB-O 3.42Å; L265-G267 PolarHBondContact O-N 3.05Å |
| 268 | P | 97.1 | Very high | 98.1 | Very high | 110 Ų | 110 | 60.1 Ų | 60.1 | 71% | 0.714 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -68.7 | 169.5 | -180 | 30.9 | -36 | 0 | 0 | 0 | 112.3 | P270 | P268-P270 WeakPolarHBondContact O-CD 3.22Š|
| 269 | F | 98.3 | Very high | 98.1 | Very high | 33 Ų | 33 | 54.3 Ų | 54.3 | 15% | 0.145 | 32% | 0.32 | C | S | . | . | trans | -60.7 | 122.4 | 169.4 | -174.3 | -96.3 | 0 | 0 | 0 | 109.7 | P238 F240 Q246 V247 V248 F271 | P238-F269 HydrophobicContact CB-CE2 3.98Å; P238-F269 HydrophobicContact CB-CZ 3.93Å; F240-F269 AromaticContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CE1 3.76Å; F240-F269 HydrophobicContact CD1-CZ 4.05Å; F240-F269 AromaticContact CE1-CE1 3.66Å; F240-F269 HydrophobicContact CE1-CE1 3.66Å; F240-F269 AromaticContact CE1-CZ 4Å; F240-F269 HydrophobicContact CE1-CZ 4Å; F240-F269 HydrophobicContact CG-CZ 4.38Å; F240-F269 HydrophobicContact CZ-CE1 4.3Å; F240-F269 HydrophobicContact CZ-CZ 4.25Å; Q246-F269 HydrophobicContact CB-CB 3.9Å; Q246-F269 HydrophobicContact CB-CD1 3.81Å; Q246-F269 HydrophobicContact CB-CD2 3.74Å; Q246-F269 HydrophobicContact CB-CE1 4.2Å; Q246-F269 HydrophobicContact CB-CE2 4.16Å; Q246-F269 HydrophobicContact CB-CG 3.55Å; Q246-F269 HydrophobicContact CB-CZ 4.37Å; Q246-F269 HydrophobicContact CG-CD1 4.13Å; Q246-F269 HydrophobicContact CG-CE1 4.31Å; Q246-F269 HydrophobicContact CG-CG 4.37Å; V247-F269 WeakPolarHBondContact O-CE2 3.32Å; V248-F269 HydrophobicContact CG2-CD2 3.79Å; V248-F269 HydrophobicContact CG2-CE2 3.71Å; F269-F271 HydrophobicContact CD1-CB 4.34Å; F269-F271 WeakPolarHBondContact CD1-O 3.35Å; F269-F271 HydrophobicContact CE1-CB 3.66Å; F269-F271 HydrophobicContact CE1-CD2 4.22Å; F269-F271 HydrophobicContact CE1-CG 4.47Å; F269-F271 WeakPolarHBondContact CE1-O 3.45Å; F269-F271 HydrophobicContact CE2-CD2 4.35Å; F269-F271 HydrophobicContact CZ-CB 4.11Å; F269-F271 HydrophobicContact CZ-CD2 4Å | ||
| 270 | P | 98 | Very high | 98.1 | Very high | 33 Ų | 33 | 55.8 Ų | 55.8 | 21% | 0.214 | 32% | 0.32 | C | S | . | . | trans | -97 | 3.6 | -163 | 39.1 | -39.7 | 0 | 0 | 0 | 114.1 | P268 V292 L297 | P268-P270 WeakPolarHBondContact O-CD 3.22Å; P270-V292 HydrophobicContact CB-CB 3.93Å; P270-V292 HydrophobicContact CB-CG1 3.8Å; P270-V292 HydrophobicContact CG-CB 3.99Å; P270-V292 HydrophobicContact CG-CG1 4.01Å; P270-V292 HydrophobicContact CG-CG2 4.05Å; P270-L297 HydrophobicContact CB-CD1 4.2Å; P270-L297 HydrophobicContact CG-CD1 3.83Å; P270-L297 HydrophobicContact CG-CD2 3.68Å; P270-L297 HydrophobicContact CG-CG 4.39Å | ||
| 271 | F | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 51.5 Ų | 51.5 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | trans | -112.8 | 147.9 | -176.2 | -53.2 | -75.4 | 0 | 0 | 0 | 111.2 | V215 F222 P238 F240 V248 F269 F277 M279 V292 | V215-F271 HydrophobicContact CG2-CB 4.21Å; V215-F271 HydrophobicContact CG2-CD1 4.47Å; F222-F271 AromaticContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD1 3.99Å; F222-F271 HydrophobicContact CE1-CD2 4.17Å; F222-F271 HydrophobicContact CE1-CE1 4.19Å; F222-F271 HydrophobicContact CE1-CE2 4.34Å; F222-F271 AromaticContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CG 4Å; F222-F271 HydrophobicContact CE1-CZ 4.36Å; F222-F271 AromaticContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD1 3.96Å; F222-F271 HydrophobicContact CZ-CD2 4.28Å; F222-F271 AromaticContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE1 3.67Å; F222-F271 HydrophobicContact CZ-CE2 4.01Å; F222-F271 HydrophobicContact CZ-CG 4.27Å; F222-F271 AromaticContact CZ-CZ 3.71Å; F222-F271 HydrophobicContact CZ-CZ 3.71Å; P238-F271 HydrophobicContact CB-CD2 3.7Å; P238-F271 HydrophobicContact CB-CE2 3.85Å; P238-F271 HydrophobicContact CG-CD2 3.89Å; P238-F271 HydrophobicContact CG-CE2 3.48Å; P238-F271 VanDerWaalsContact CG-CE2 3.48Å; P238-F271 HydrophobicContact CG-CZ 4.22Å; F240-F271 HydrophobicContact CE1-CB 3.73Å; F240-F271 HydrophobicContact CZ-CB 3.71Å; V248-F271 HydrophobicContact CG2-CE2 4.28Å; F269-F271 HydrophobicContact CD1-CB 4.34Å; F269-F271 WeakPolarHBondContact CD1-O 3.35Å; F269-F271 HydrophobicContact CE1-CB 3.66Å; F269-F271 HydrophobicContact CE1-CD2 4.22Å; F269-F271 HydrophobicContact CE1-CG 4.47Å; F269-F271 WeakPolarHBondContact CE1-O 3.45Å; F269-F271 HydrophobicContact CE2-CD2 4.35Å; F269-F271 HydrophobicContact CZ-CB 4.11Å; F269-F271 HydrophobicContact CZ-CD2 4Å; F271-F277 HydrophobicContact CD1-CB 4.01Å; F271-F277 HydrophobicContact CD1-CD1 4.38Å; F271-F277 HydrophobicContact CD1-CD2 4.43Å; F271-F277 HydrophobicContact CD1-CG 4.02Å; F271-F277 HydrophobicContact CE1-CB 4.08Å; F271-F277 AromaticContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CE2 4.48Å; F271-F277 AromaticContact CE1-CG 3.9Å; F271-F277 HydrophobicContact CE1-CG 3.9Å; F271-M279 HydrophobicContact CE1-CE 4.12Å; F271-M279 HydrophobicContact CE2-CE 4.4Å; F271-M279 HydrophobicContact CZ-CE 3.47Å; F271-M279 VanDerWaalsContact CZ-CE 3.47Å; F271-V292 HydrophobicContact CD1-CG1 4.32Å; F271-V292 HydrophobicContact CE1-CG1 3.68Å; F271-V292 HydrophobicContact CE1-CG2 4.09Å; F271-V292 HydrophobicContact CE2-CG2 4.46Å; F271-V292 HydrophobicContact CZ-CB 4.45Å; F271-V292 HydrophobicContact CZ-CG1 4.01Å; F271-V292 HydrophobicContact CZ-CG2 3.62Å | ||
| 272 | A | 97.8 | Very high | 98.1 | Very high | 45 Ų | 45 | 48.8 Ų | 48.8 | 37% | 0.372 | 28% | 0.28 | S | S | . | . | trans | -134 | 138 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110 | V215 G274 S275 | V215-A272 WeakPolarHBondContact CB-O 3.36Å; A272-G274 PolarHBondContact O-N 3.32Å; A272-S275 WeakPolarHBondContact CB-OG 3.3Å; A272-S275 VanDerWaalsContact O-CB 3.29Å; A272-S275 WeakPolarHBondContact O-CB 3.24Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 VanDerWaalsContact O-N 3.1Å | ||
| 273 | P | 98.1 | Very high | 98.1 | Very high | 58 Ų | 58 | 47 Ų | 47 | 38% | 0.377 | 27% | 0.272 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.5 | 137.6 | 175.1 | -24.6 | 34.3 | 0 | 0 | 0 | 112 | A217 F240 S275 | A217-P273 VanDerWaalsContact O-CB 3.25Å; A217-P273 WeakPolarHBondContact O-CB 3.4Å; F240-P273 HydrophobicContact CD1-CG 3.84Å; F240-P273 HydrophobicContact CE1-CG 4.2Å; P273-S275 PolarHBondContact O-N 2.93Å |
| 274 | G | 97.4 | Very high | 98.1 | Very high | 45 Ų | 45 | 44.3 Ų | 44.3 | 46% | 0.464 | 26% | 0.264 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | -0.2 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | V215 K216 A272 | V215-G274 WeakPolarHBondContact O-CA 3.18Å; V215-G274 PolarHBondContact O-N 2.87Å; K216-G274 PolarHBondContact O-N 2.82Å; A272-G274 PolarHBondContact O-N 3.32Å |
| 275 | S | 97.9 | Very high | 98.1 | Very high | 46 Ų | 46 | 41.1 Ų | 41.1 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | trans | -101.1 | 149.5 | -175.3 | -58.6 | 0 | 0 | 0 | 0 | 112.6 | Y214 V215 A272 P273 | Y214-S275 WeakPolarHBondContact CA-O 3.46Å; V215-S275 PolarHBondContact N-O 2.95Å; A272-S275 WeakPolarHBondContact CB-OG 3.3Å; A272-S275 VanDerWaalsContact O-CB 3.29Å; A272-S275 WeakPolarHBondContact O-CB 3.24Å; A272-S275 PolarHBondContact O-N 2.84Å; A272-S275 VanDerWaalsContact O-N 3.1Å; P273-S275 PolarHBondContact O-N 2.93Å | ||
| 276 | P | 98.2 | Very high | 98.1 | Very high | 62 Ų | 62 | 44 Ų | 44 | 40% | 0.403 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 156.9 | 171.1 | 28 | -32.4 | 0 | 0 | 0 | 111.4 | G213 Y214 | G213-P276 CarbonylContact O-C 3.56Å; G213-P276 VanDerWaalsContact O-CA 3.24Å; G213-P276 WeakPolarHBondContact O-CA 3.48Å; Y214-P276 HydrophobicContact CD1-CB 3.76Å; Y214-P276 HydrophobicContact CD1-CG 4.36Å; Y214-P276 HydrophobicContact CE1-CB 3.51Å; Y214-P276 HydrophobicContact CE1-CG 3.96Å; Y214-P276 HydrophobicContact CG-CB 4.46Å |
| 277 | F | 98.6 | Very high | 98.2 | Very high | 7 Ų | 7 | 38.9 Ų | 38.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 154.6 | 167.2 | 71.1 | -85.6 | 0 | 0 | 0 | 111.3 | I211 G213 V215 F271 M279 V292 N293 V319 | I211-F277 HydrophobicContact CG2-CE2 4Å; I211-F277 HydrophobicContact CG2-CZ 4.23Å; G213-F277 PolarHBondContact N-O 3.36Å; G213-F277 PolarHBondContact O-N 2.94Å; V215-F277 HydrophobicContact CG2-CD1 4.01Å; V215-F277 HydrophobicContact CG2-CE1 4.35Å; F271-F277 HydrophobicContact CD1-CB 4.01Å; F271-F277 HydrophobicContact CD1-CD1 4.38Å; F271-F277 HydrophobicContact CD1-CD2 4.43Å; F271-F277 HydrophobicContact CD1-CG 4.02Å; F271-F277 HydrophobicContact CE1-CB 4.08Å; F271-F277 AromaticContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CD2 3.85Å; F271-F277 HydrophobicContact CE1-CE2 4.48Å; F271-F277 AromaticContact CE1-CG 3.9Å; F271-F277 HydrophobicContact CE1-CG 3.9Å; F277-M279 HydrophobicContact CD2-CB 4.02Å; F277-M279 HydrophobicContact CE2-CB 3.99Å; F277-V292 HydrophobicContact CB-CG1 4.49Å; F277-N293 WeakPolarHBondContact CA-OD1 3.26Å; F277-V319 HydrophobicContact CE1-CG2 3.61Å; F277-V319 HydrophobicContact CZ-CG2 3.74Å |
| 278 | E | 98.6 | Very high | 98.4 | Very high | 19 Ų | 19 | 37.4 Ų | 37.4 | 9% | 0.089 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 125.1 | 160.1 | 176.1 | -177.1 | 75.2 | 0 | 0 | 108.6 | W183 T210 I211 L212 K280 V292 N293 N294 | W183-E278 HydrophobicContact CH2-CB 3.55Å; W183-E278 HydrophobicContact CH2-CG 3.98Å; W183-E278 HydrophobicContact CZ2-CB 3.67Å; W183-E278 HydrophobicContact CZ2-CG 4.49Å; T210-E278 HydrophobicContact CG2-CG 4.32Å; I211-E278 CarbonylContact O-C 3.54Å; I211-E278 WeakPolarHBondContact O-CA 3.35Å; L212-E278 HydrophobicContact CD2-CB 3.59Å; L212-E278 HydrophobicContact CD2-CG 3.51Å; E278-K280 HydrophobicContact CG-CG 4.3Å; E278-K280 WeakPolarHBondContact OE1-CE 3.35Å; E278-K280 IonicContact OE1-NZ 3.23Å; E278-K280 PolarHBondContact OE1-NZ 2.92Å; E278-K280 VanDerWaalsContact OE2-CE 3.25Å; E278-K280 WeakPolarHBondContact OE2-CE 3.49Å; E278-K280 IonicContact OE2-NZ 3.63Å; E278-K280 PolarHBondContact OE2-NZ 2.9Å; E278-V292 CarbonylContact O-C 3.39Å; E278-V292 WeakPolarHBondContact O-CA 3.5Å; E278-N293 PolarHBondContact N-OD1 2.88Å; E278-N293 PolarHBondContact O-N 2.81Å; E278-N294 PolarHBondContact OE1-OD1 2.91Å |
| 279 | M | 98.9 | Very high | 98.4 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126.8 | 170.4 | 178.6 | -173.7 | -70.7 | 0 | 0 | 109.1 | T210 I211 F222 V224 I236 F271 F277 I281 V290 A291 V292 | T210-M279 WeakPolarHBondContact CA-O 3.21Å; I211-M279 HydrophobicContact CB-CB 4.35Å; I211-M279 HydrophobicContact CD1-SD 4.25Å; I211-M279 PolarHBondContact N-O 2.86Å; I211-M279 PolarHBondContact O-N 3.29Å; F222-M279 HydrophobicContact CE2-CE 4.01Å; F222-M279 HydrophobicContact CZ-CE 4.1Å; V224-M279 HydrophobicContact CG2-SD 4.23Å; I236-M279 HydrophobicContact CD1-SD 4.32Å; F271-M279 HydrophobicContact CE1-CE 4.12Å; F271-M279 HydrophobicContact CE2-CE 4.4Å; F271-M279 HydrophobicContact CZ-CE 3.47Å; F271-M279 VanDerWaalsContact CZ-CE 3.47Å; F277-M279 HydrophobicContact CD2-CB 4.02Å; F277-M279 HydrophobicContact CE2-CB 3.99Å; M279-I281 HydrophobicContact CG-CD1 4.36Å; M279-I281 HydrophobicContact CG-CG1 4.04Å; M279-I281 HydrophobicContact SD-CD1 3.85Å; M279-I281 HydrophobicContact SD-CG1 4.15Å; M279-V290 HydrophobicContact CG-CG1 4.13Å; M279-A291 WeakPolarHBondContact CA-O 3.27Å; M279-V292 HydrophobicContact CB-CG2 4.45Å; M279-V292 HydrophobicContact CE-CG2 4.46Å; M279-V292 HydrophobicContact CG-CG2 4.35Å |
| 280 | K | 98.9 | Very high | 98.5 | Very high | 52 Ų | 52 | 36.5 Ų | 36.5 | 23% | 0.226 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 128 | 174.7 | -77.1 | 171.8 | 176.8 | 144.7 | 0 | 109.4 | M208 M209 T210 E278 V290 A291 N294 | M208-K280 HydrophobicContact CE-CB 4.35Å; M208-K280 HydrophobicContact SD-CB 3.78Å; M208-K280 HydrophobicContact SD-CG 4.27Å; M209-K280 CarbonylContact O-C 3.58Å; M209-K280 WeakPolarHBondContact O-CA 3.47Å; T210-K280 HydrophobicContact CG2-CG 4.29Å; E278-K280 HydrophobicContact CG-CG 4.3Å; E278-K280 WeakPolarHBondContact OE1-CE 3.35Å; E278-K280 IonicContact OE1-NZ 3.23Å; E278-K280 PolarHBondContact OE1-NZ 2.92Å; E278-K280 VanDerWaalsContact OE2-CE 3.25Å; E278-K280 WeakPolarHBondContact OE2-CE 3.49Å; E278-K280 IonicContact OE2-NZ 3.63Å; E278-K280 PolarHBondContact OE2-NZ 2.9Å; K280-V290 WeakPolarHBondContact O-CA 3.41Å; K280-A291 PolarHBondContact N-O 3.29Å; K280-A291 PolarHBondContact O-N 2.83Å; K280-N294 PolarHBondContact NZ-OD1 3.38Å |
| 281 | I | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.015 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 106.2 | -179.5 | -53.3 | 171.4 | 0 | 0 | 0 | 107.8 | M208 M209 I211 V224 F226 F234 I236 M279 F288 V290 | M208-I281 WeakPolarHBondContact CA-O 3.34Å; M208-I281 VanDerWaalsContact SD-C 3.58Å; M209-I281 HydrophobicContact CB-CB 4.42Å; M209-I281 PolarHBondContact N-O 2.81Å; M209-I281 PolarHBondContact O-N 3.18Å; I211-I281 HydrophobicContact CD1-CD1 4.36Å; V224-I281 HydrophobicContact CG1-CD1 4.24Å; F226-I281 HydrophobicContact CE2-CD1 3.74Å; F226-I281 HydrophobicContact CE2-CG2 4.31Å; F226-I281 HydrophobicContact CZ-CB 4.34Å; F226-I281 HydrophobicContact CZ-CD1 3.81Å; F226-I281 HydrophobicContact CZ-CG2 3.8Å; F234-I281 HydrophobicContact CE1-CG2 4.13Å; I236-I281 HydrophobicContact CD1-CD1 3.8Å; I236-I281 HydrophobicContact CD1-CG1 4.49Å; M279-I281 HydrophobicContact CG-CD1 4.36Å; M279-I281 HydrophobicContact CG-CG1 4.04Å; M279-I281 HydrophobicContact SD-CD1 3.85Å; M279-I281 HydrophobicContact SD-CG1 4.15Å; I281-F288 HydrophobicContact CG2-CB 4.4Å; I281-F288 HydrophobicContact CG2-CD1 4.09Å; I281-V290 HydrophobicContact CG1-CG1 4.34Å; I281-V290 HydrophobicContact CG1-CG2 4.19Å; I281-V290 HydrophobicContact CG2-CG2 4.22Å |
| 282 | L | 98.9 | Very high | 98.5 | Very high | 31 Ų | 31 | 35.7 Ų | 35.7 | 16% | 0.162 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.1 | 125.8 | 175.8 | 178.1 | 59.7 | 0 | 0 | 0 | 109.7 | M208 T284 F288 R289 L329 | M208-L282 HydrophobicContact CB-CD1 4.4Å; M208-L282 HydrophobicContact CE-CB 3.69Å; M208-L282 HydrophobicContact CE-CD1 4.25Å; M208-L282 HydrophobicContact CE-CG 4.37Å; M208-L282 HydrophobicContact SD-CB 4.13Å; L282-T284 HydrophobicContact CD2-CG2 4.15Å; L282-T284 HydrophobicContact CG-CG2 4.11Å; L282-F288 CarbonylContact O-C 3.58Å; L282-F288 WeakPolarHBondContact O-CA 3.42Å; L282-R289 HydrophobicContact CB-CB 4.37Å; L282-R289 PolarHBondContact N-O 3.04Å; L282-R289 PolarHBondContact O-N 2.92Å; L282-L329 HydrophobicContact CD1-CD1 3.73Å; L282-L329 HydrophobicContact CD1-CG 4.32Å; L282-L329 HydrophobicContact CD2-CD1 4.29Å |
| 283 | C | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 36.7 Ų | 36.7 | 2% | 0.02 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 126.5 | 164.2 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | V203 Y204 K206 M207 F288 | V203-C283 HydrophobicContact CG1-CB 3.57Å; V203-C283 WeakPolarHBondContact CG1-SG 3.46Å; Y204-C283 WeakPolarHBondContact O-CB 3.35Å; K206-C283 PolarHBondContact N-O 2.85Å; M207-C283 HydrophobicContact CB-CB 4.31Å; M207-C283 PolarHBondContact O-N 2.89Å; C283-F288 HydrophobicContact CB-CD1 4.32Å; C283-F288 HydrophobicContact CB-CE1 4.24Å |
| 284 | T | 98.6 | Very high | 98.4 | Very high | 21 Ų | 21 | 38.9 Ų | 38.9 | 13% | 0.129 | 22% | 0.219 | C | C | . | . | trans | -111.8 | 178.3 | 166.5 | 73.1 | 0 | 0 | 0 | 0 | 109.3 | D205 L282 E286 T287 R289 H302 | D205-T284 WeakPolarHBondContact OD1-CA 3.23Å; L282-T284 HydrophobicContact CD2-CG2 4.15Å; L282-T284 HydrophobicContact CG-CG2 4.11Å; T284-E286 PolarHBondContact O-N 2.86Å; T284-T287 PolarHBondContact N-O 2.86Å; T284-T287 PolarHBondContact OG1-N 2.81Å; T284-T287 VanDerWaalsContact OG1-N 3.14Å; T284-T287 PolarHBondContact OG1-O 2.82Å; T284-T287 PolarHBondContact OG1-OG1 2.84Å; T284-R289 HydrophobicContact CG2-CG 3.97Å; T284-H302 PolarHBondContact O-NE2 3.42Å | ||
| 285 | P | 98.1 | Very high | 98.4 | Very high | 75 Ų | 75 | 42.1 Ų | 42.1 | 49% | 0.487 | 22% | 0.224 | S | C | . | . | S | Bend | trans | -64.4 | -28.3 | -180 | -21 | 34.3 | 0 | 0 | 0 | 113.5 | D205 H302 | D205-P285 HydrophobicContact CB-CG 4.46Å; D205-P285 WeakPolarHBondContact OD1-CD 3.46Å; P285-H302 PolarHBondContact O-CD2 2.92Å |
| 286 | E | 98.4 | Very high | 98.4 | Very high | 110 Ų | 110 | 43.9 Ų | 43.9 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -110 | -26.7 | -175.6 | -59.7 | 75.8 | -164.8 | 0 | 0 | 114.6 | T284 H302 | T284-E286 PolarHBondContact O-N 2.86Å; E286-H302 PolarHBondContact O-CD2 2.93Å; E286-H302 PolarHBondContact O-N 2.97Å |
| 287 | T | 98.8 | Very high | 98.5 | Very high | 20 Ų | 20 | 41.3 Ų | 41.3 | 12% | 0.123 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.1 | 160.4 | -170.5 | 71.3 | 0 | 0 | 0 | 0 | 113.2 | T284 R289 F300 R301 H302 | T284-T287 PolarHBondContact N-O 2.86Å; T284-T287 PolarHBondContact OG1-N 2.81Å; T284-T287 VanDerWaalsContact OG1-N 3.14Å; T284-T287 PolarHBondContact OG1-O 2.82Å; T284-T287 PolarHBondContact OG1-OG1 2.84Å; T287-R289 WeakPolarHBondContact OG1-CG 3.23Å; T287-F300 CarbonylContact C-O 3.49Å; T287-F300 VanDerWaalsContact CA-O 3.23Å; T287-F300 WeakPolarHBondContact CA-O 3.49Å; T287-F300 WeakPolarHBondContact CB-O 3.48Å; T287-R301 HydrophobicContact CG2-CB 4.46Å; T287-H302 PolarHBondContact N-CD2 3.16Å; T287-H302 PolarHBondContact N-NE2 3Å; T287-H302 PolarHBondContact O-CE1 3.19Å; T287-H302 PolarHBondContact O-NE2 2.85Å |
| 288 | F | 98.9 | Very high | 98.5 | Very high | 3 Ų | 3 | 41.2 Ų | 41.2 | 1% | 0.013 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 124.5 | 154.2 | -65.3 | -79.2 | 0 | 0 | 0 | 108.6 | V203 F226 F234 I281 L282 C283 E299 F300 H302 I310 | V203-F288 HydrophobicContact CG1-CE1 3.87Å; V203-F288 HydrophobicContact CG1-CZ 4.26Å; F226-F288 HydrophobicContact CD1-CE1 4.15Å; F226-F288 HydrophobicContact CD1-CZ 4.42Å; F226-F288 HydrophobicContact CE1-CE1 4.15Å; F234-F288 HydrophobicContact CB-CD2 3.95Å; F234-F288 HydrophobicContact CB-CE2 3.76Å; F234-F288 HydrophobicContact CB-CZ 4.41Å; F234-F288 HydrophobicContact CD1-CB 3.87Å; F234-F288 AromaticContact CD1-CD1 3.98Å; F234-F288 HydrophobicContact CD1-CD1 3.98Å; F234-F288 AromaticContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CD2 3.53Å; F234-F288 HydrophobicContact CD1-CE1 4.39Å; F234-F288 AromaticContact CD1-CE2 4Å; F234-F288 HydrophobicContact CD1-CE2 4Å; F234-F288 AromaticContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CG 3.51Å; F234-F288 HydrophobicContact CD1-CZ 4.41Å; F234-F288 HydrophobicContact CE1-CB 3.53Å; F234-F288 HydrophobicContact CE1-CD1 4.27Å; F234-F288 HydrophobicContact CE1-CD2 4.11Å; F234-F288 AromaticContact CE1-CG 3.72Å; F234-F288 HydrophobicContact CE1-CG 3.72Å; F234-F288 AromaticContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CD2 3.79Å; F234-F288 HydrophobicContact CG-CE2 4.12Å; F234-F288 HydrophobicContact CG-CG 4.24Å; F234-F288 HydrophobicContact CZ-CB 4.09Å; I281-F288 HydrophobicContact CG2-CB 4.4Å; I281-F288 HydrophobicContact CG2-CD1 4.09Å; L282-F288 CarbonylContact O-C 3.58Å; L282-F288 WeakPolarHBondContact O-CA 3.42Å; C283-F288 HydrophobicContact CB-CD1 4.32Å; C283-F288 HydrophobicContact CB-CE1 4.24Å; F288-E299 CarbonylContact O-C 3.55Å; F288-E299 VanDerWaalsContact O-CA 3.26Å; F288-E299 WeakPolarHBondContact O-CA 3.4Å; F288-F300 HydrophobicContact CB-CB 4.48Å; F288-F300 HydrophobicContact CD2-CD1 4.22Å; F288-F300 PolarHBondContact N-O 3.18Å; F288-F300 PolarHBondContact O-N 3.38Å; F288-H302 AromaticContact CD2-CE1 3.43Å; F288-H302 VanDerWaalsContact CD2-CE1 3.43Å; F288-H302 WeakPolarHBondContact CD2-CE1 3.23Å; F288-H302 AromaticContact CD2-ND1 3.33Å; F288-H302 VanDerWaalsContact CD2-ND1 3.33Å; F288-H302 WeakPolarHBondContact CD2-ND1 3.33Å; F288-H302 AromaticContact CE2-CE1 3.39Å; F288-H302 WeakPolarHBondContact CE2-CE1 3.15Å; F288-H302 AromaticContact CE2-ND1 3.18Å; F288-H302 WeakPolarHBondContact CE2-ND1 3.26Å; F288-H302 AromaticContact CG-CE1 3.82Å; F288-H302 AromaticContact CZ-CE1 3.74Å; F288-H302 AromaticContact CZ-ND1 3.91Å; F288-I310 HydrophobicContact CZ-CD1 4.19Å |
| 289 | R | 98.8 | Very high | 98.5 | Very high | 119 Ų | 119 | 43.6 Ų | 43.6 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 122.6 | 176 | -55.1 | -179.1 | 71.9 | -162.8 | 2 | 108.9 | L282 T284 T287 E299 | L282-R289 HydrophobicContact CB-CB 4.37Å; L282-R289 PolarHBondContact N-O 3.04Å; L282-R289 PolarHBondContact O-N 2.92Å; T284-R289 HydrophobicContact CG2-CG 3.97Å; T287-R289 WeakPolarHBondContact OG1-CG 3.23Å; R289-E299 HydrophobicContact CB-CG 4.29Å; R289-E299 HydrophobicContact CG-CG 3.93Å; R289-E299 IonicContact CZ-OE1 3.01Å; R289-E299 IonicContact NE-OE1 2.74Å; R289-E299 PolarHBondContact NE-OE1 3.3Å; R289-E299 IonicContact NH2-OE1 2.98Å; R289-E299 PolarHBondContact NH2-OE1 3.37Å |
| 290 | V | 98.9 | Very high | 98.5 | Very high | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.024 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 130.1 | -173.9 | -174.9 | 0 | 0 | 0 | 0 | 110.4 | F234 I236 M279 K280 I281 L297 F298 | F234-V290 HydrophobicContact CE1-CG2 4.21Å; F234-V290 HydrophobicContact CZ-CG2 3.95Å; I236-V290 HydrophobicContact CD1-CG2 4.33Å; M279-V290 HydrophobicContact CG-CG1 4.13Å; K280-V290 WeakPolarHBondContact O-CA 3.41Å; I281-V290 HydrophobicContact CG1-CG1 4.34Å; I281-V290 HydrophobicContact CG1-CG2 4.19Å; I281-V290 HydrophobicContact CG2-CG2 4.22Å; V290-L297 PolarHBondContact O-N 2.98Å; V290-F298 HydrophobicContact CB-CD1 4.42Å; V290-F298 HydrophobicContact CB-CD2 4.3Å; V290-F298 HydrophobicContact CB-CE1 4.04Å; V290-F298 HydrophobicContact CB-CE2 3.9Å; V290-F298 HydrophobicContact CB-CZ 3.75Å; V290-F298 HydrophobicContact CG1-CE1 4.08Å; V290-F298 HydrophobicContact CG1-CZ 4.01Å; V290-F298 HydrophobicContact CG2-CD2 4.23Å; V290-F298 HydrophobicContact CG2-CE1 4.38Å; V290-F298 HydrophobicContact CG2-CE2 3.51Å; V290-F298 HydrophobicContact CG2-CZ 3.58Å; V290-F298 PolarHBondContact N-O 3.37Å; V290-F298 PolarHBondContact O-N 3.15Å |
| 291 | A | 98.8 | Very high | 98.5 | Very high | 22 Ų | 22 | 48.5 Ų | 48.5 | 18% | 0.182 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 145.6 | 170.4 | 0 | 0 | 0 | 0 | 0 | 110 | M279 K280 I295 | M279-A291 WeakPolarHBondContact CA-O 3.27Å; K280-A291 PolarHBondContact N-O 3.29Å; K280-A291 PolarHBondContact O-N 2.83Å; A291-I295 CarbonylContact C-O 3.37Å; A291-I295 VanDerWaalsContact CA-O 3.23Å; A291-I295 WeakPolarHBondContact CA-O 3.21Å; A291-I295 WeakPolarHBondContact CB-O 3.47Å |
| 292 | V | 98.8 | Very high | 98.5 | Very high | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.018 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 131 | 174.5 | 179.1 | 0 | 0 | 0 | 0 | 108.6 | P270 F271 F277 E278 M279 N294 I295 L297 | P270-V292 HydrophobicContact CB-CB 3.93Å; P270-V292 HydrophobicContact CB-CG1 3.8Å; P270-V292 HydrophobicContact CG-CB 3.99Å; P270-V292 HydrophobicContact CG-CG1 4.01Å; P270-V292 HydrophobicContact CG-CG2 4.05Å; F271-V292 HydrophobicContact CD1-CG1 4.32Å; F271-V292 HydrophobicContact CE1-CG1 3.68Å; F271-V292 HydrophobicContact CE1-CG2 4.09Å; F271-V292 HydrophobicContact CE2-CG2 4.46Å; F271-V292 HydrophobicContact CZ-CB 4.45Å; F271-V292 HydrophobicContact CZ-CG1 4.01Å; F271-V292 HydrophobicContact CZ-CG2 3.62Å; F277-V292 HydrophobicContact CB-CG1 4.49Å; E278-V292 CarbonylContact O-C 3.39Å; E278-V292 WeakPolarHBondContact O-CA 3.5Å; M279-V292 HydrophobicContact CB-CG2 4.45Å; M279-V292 HydrophobicContact CE-CG2 4.46Å; M279-V292 HydrophobicContact CG-CG2 4.35Å; V292-N294 PolarHBondContact O-N 3.42Å; V292-I295 PolarHBondContact N-O 2.94Å; V292-I295 PolarHBondContact O-N 2.87Å; V292-L297 HydrophobicContact CG2-CD2 3.93Å |
| 293 | N | 97.6 | Very high | 98.5 | Very high | 67 Ų | 67 | 50.9 Ų | 50.9 | 36% | 0.358 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.6 | 45.5 | -176.6 | -59.4 | -26.9 | 0 | 0 | 0 | 111.9 | F277 E278 I295 | F277-N293 WeakPolarHBondContact CA-OD1 3.26Å; E278-N293 PolarHBondContact N-OD1 2.88Å; E278-N293 PolarHBondContact O-N 2.81Å; N293-I295 PolarHBondContact O-N 3.27Å; N293-I295 VanDerWaalsContact O-N 3.15Å |
| 294 | N | 95.5 | Very high | 98.4 | Very high | 104 Ų | 104 | 51 Ų | 51 | 56% | 0.556 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.8 | 9.3 | -175.5 | -59.2 | -49.1 | 0 | 0 | 0 | 116.4 | E278 K280 V292 | E278-N294 PolarHBondContact OE1-OD1 2.91Å; K280-N294 PolarHBondContact NZ-OD1 3.38Å; V292-N294 PolarHBondContact O-N 3.42Å |
| 295 | I | 98 | Very high | 98.4 | Very high | 112 Ų | 112 | 58.7 Ų | 58.7 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 121.2 | 175.9 | -58.5 | 173.7 | 0 | 0 | 0 | 109.1 | A291 V292 N293 L297 | A291-I295 CarbonylContact C-O 3.37Å; A291-I295 VanDerWaalsContact CA-O 3.23Å; A291-I295 WeakPolarHBondContact CA-O 3.21Å; A291-I295 WeakPolarHBondContact CB-O 3.47Å; V292-I295 PolarHBondContact N-O 2.94Å; V292-I295 PolarHBondContact O-N 2.87Å; N293-I295 PolarHBondContact O-N 3.27Å; N293-I295 VanDerWaalsContact O-N 3.15Å; I295-L297 PolarHBondContact O-N 2.74Å |
| 296 | P | 98.4 | Very high | 98.4 | Very high | 84 Ų | 84 | 59 Ų | 59 | 55% | 0.545 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -58 | 125.9 | 173.6 | -24 | 34.2 | 0 | 0 | 0 | 111.3 | ||
| 297 | L | 98.6 | Very high | 98.4 | Very high | 7 Ų | 7 | 54.9 Ų | 54.9 | 4% | 0.037 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | -52.1 | -170.8 | -171.4 | 70.2 | 0 | 0 | 0 | 112.4 | L265 K266 P270 V290 V292 I295 | L265-L297 HydrophobicContact CB-CD1 4.45Å; L265-L297 HydrophobicContact CD1-CD1 4.25Å; L265-L297 HydrophobicContact CD2-CD2 4.47Å; L265-L297 HydrophobicContact CD2-CG 4.14Å; K266-L297 VanDerWaalsContact CB-O 3.32Å; K266-L297 WeakPolarHBondContact CB-O 3.2Å; K266-L297 WeakPolarHBondContact CG-O 3.34Å; K266-L297 PolarHBondContact N-O 3Å; P270-L297 HydrophobicContact CB-CD1 4.2Å; P270-L297 HydrophobicContact CG-CD1 3.83Å; P270-L297 HydrophobicContact CG-CD2 3.68Å; P270-L297 HydrophobicContact CG-CG 4.39Å; V290-L297 PolarHBondContact O-N 2.98Å; V292-L297 HydrophobicContact CG2-CD2 3.93Å; I295-L297 PolarHBondContact O-N 2.74Å |
| 298 | F | 98.8 | Very high | 98.3 | Very high | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.026 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.8 | 170.6 | 177.6 | 64.3 | -98.8 | 0 | 0 | 0 | 111.2 | F234 I236 V248 R250 L265 V290 F300 | F234-F298 HydrophobicContact CE2-CE2 4.03Å; F234-F298 HydrophobicContact CE2-CZ 4.49Å; F234-F298 AromaticContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CE2 3.69Å; F234-F298 HydrophobicContact CZ-CZ 4.07Å; I236-F298 HydrophobicContact CD1-CZ 4.25Å; I236-F298 HydrophobicContact CG1-CZ 4.28Å; I236-F298 HydrophobicContact CG2-CE1 4.4Å; I236-F298 HydrophobicContact CG2-CZ 4.04Å; V248-F298 HydrophobicContact CG1-CE1 4.02Å; R250-F298 HydrophobicContact CG-CD2 4.15Å; R250-F298 HydrophobicContact CG-CE1 4.13Å; R250-F298 HydrophobicContact CG-CE2 3.6Å; R250-F298 HydrophobicContact CG-CZ 3.59Å; L265-F298 HydrophobicContact CD2-CB 4.26Å; L265-F298 HydrophobicContact CD2-CD1 3.77Å; L265-F298 HydrophobicContact CD2-CG 4.39Å; V290-F298 HydrophobicContact CB-CD1 4.42Å; V290-F298 HydrophobicContact CB-CD2 4.3Å; V290-F298 HydrophobicContact CB-CE1 4.04Å; V290-F298 HydrophobicContact CB-CE2 3.9Å; V290-F298 HydrophobicContact CB-CZ 3.75Å; V290-F298 HydrophobicContact CG1-CE1 4.08Å; V290-F298 HydrophobicContact CG1-CZ 4.01Å; V290-F298 HydrophobicContact CG2-CD2 4.23Å; V290-F298 HydrophobicContact CG2-CE1 4.38Å; V290-F298 HydrophobicContact CG2-CE2 3.51Å; V290-F298 HydrophobicContact CG2-CZ 3.58Å; V290-F298 PolarHBondContact N-O 3.37Å; V290-F298 PolarHBondContact O-N 3.15Å; F298-F300 HydrophobicContact CE2-CB 4.36Å |
| 299 | E | 98.8 | Very high | 98.3 | Very high | 68 Ų | 68 | 63.9 Ų | 63.9 | 32% | 0.318 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 141.8 | 168.1 | -57.6 | -176.6 | -172.4 | 0 | 0 | 108.1 | K266 F288 R289 | K266-E299 IonicContact NZ-OE1 3.41Å; K266-E299 PolarHBondContact NZ-OE1 3.34Å; F288-E299 CarbonylContact O-C 3.55Å; F288-E299 VanDerWaalsContact O-CA 3.26Å; F288-E299 WeakPolarHBondContact O-CA 3.4Å; R289-E299 HydrophobicContact CB-CG 4.29Å; R289-E299 HydrophobicContact CG-CG 3.93Å; R289-E299 IonicContact CZ-OE1 3.01Å; R289-E299 IonicContact NE-OE1 2.74Å; R289-E299 PolarHBondContact NE-OE1 3.3Å; R289-E299 IonicContact NH2-OE1 2.98Å; R289-E299 PolarHBondContact NH2-OE1 3.37Å |
| 300 | F | 98.9 | Very high | 98.3 | Very high | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 117.1 | 178.3 | -177.2 | -99.1 | 0 | 0 | 0 | 108.8 | F234 R250 H252 E262 T287 F288 F298 R303 | F234-F300 HydrophobicContact CB-CD1 4.28Å; F234-F300 HydrophobicContact CB-CE1 4.27Å; F234-F300 HydrophobicContact CD2-CB 4.04Å; F234-F300 AromaticContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD1 3.33Å; F234-F300 HydrophobicContact CD2-CD2 4.25Å; F234-F300 AromaticContact CD2-CE1 3.74Å; F234-F300 HydrophobicContact CD2-CE1 3.74Å; F234-F300 AromaticContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CG 3.61Å; F234-F300 HydrophobicContact CD2-CZ 4.35Å; F234-F300 HydrophobicContact CE2-CB 3.55Å; F234-F300 AromaticContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD1 3.8Å; F234-F300 HydrophobicContact CE2-CD2 4.17Å; F234-F300 AromaticContact CE2-CG 3.57Å; F234-F300 HydrophobicContact CE2-CG 3.57Å; F234-F300 AromaticContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CD1 3.94Å; F234-F300 HydrophobicContact CG-CE1 4.32Å; F234-F300 HydrophobicContact CZ-CB 4.02Å; F234-F300 HydrophobicContact CZ-CG 4.47Å; R250-F300 HydrophobicContact CB-CD2 3.88Å; R250-F300 HydrophobicContact CB-CE2 4.18Å; H252-F300 HydrophobicContact CB-CZ 4.45Å; E262-F300 WeakPolarHBondContact OE1-CE2 3.36Å; E262-F300 WeakPolarHBondContact OE2-CD2 3.25Å; T287-F300 CarbonylContact C-O 3.49Å; T287-F300 VanDerWaalsContact CA-O 3.23Å; T287-F300 WeakPolarHBondContact CA-O 3.49Å; T287-F300 WeakPolarHBondContact CB-O 3.48Å; F288-F300 HydrophobicContact CB-CB 4.48Å; F288-F300 HydrophobicContact CD2-CD1 4.22Å; F288-F300 PolarHBondContact N-O 3.18Å; F288-F300 PolarHBondContact O-N 3.38Å; F298-F300 HydrophobicContact CE2-CB 4.36Å; F300-R303 HydrophobicContact CE1-CG 4.39Å; F300-R303 HydrophobicContact CZ-CG 4.17Å |
| 301 | R | 98.9 | Very high | 98.3 | Very high | 157 Ų | 157 | 61.1 Ų | 61.1 | 59% | 0.592 | 29% | 0.294 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.3 | 137.3 | -179 | -172.2 | 178.8 | 177.9 | 101.3 | 0.5 | 110.5 | T287 R303 | T287-R301 HydrophobicContact CG2-CB 4.46Å; R301-R303 PolarHBondContact O-N 2.84Å |
| 302 | H | 98.8 | Very high | 98.3 | Very high | 12 Ų | 12 | 64 Ų | 64 | 6% | 0.056 | 30% | 0.3 | C | S | . | . | trans | -59.8 | 111.4 | 177.7 | -62.9 | -36.2 | 0 | 0 | 0 | 111 | T284 P285 E286 T287 F288 | T284-H302 PolarHBondContact O-NE2 3.42Å; P285-H302 PolarHBondContact O-CD2 2.92Å; E286-H302 PolarHBondContact O-CD2 2.93Å; E286-H302 PolarHBondContact O-N 2.97Å; T287-H302 PolarHBondContact N-CD2 3.16Å; T287-H302 PolarHBondContact N-NE2 3Å; T287-H302 PolarHBondContact O-CE1 3.19Å; T287-H302 PolarHBondContact O-NE2 2.85Å; F288-H302 AromaticContact CD2-CE1 3.43Å; F288-H302 VanDerWaalsContact CD2-CE1 3.43Å; F288-H302 WeakPolarHBondContact CD2-CE1 3.23Å; F288-H302 AromaticContact CD2-ND1 3.33Å; F288-H302 VanDerWaalsContact CD2-ND1 3.33Å; F288-H302 WeakPolarHBondContact CD2-ND1 3.33Å; F288-H302 AromaticContact CE2-CE1 3.39Å; F288-H302 WeakPolarHBondContact CE2-CE1 3.15Å; F288-H302 AromaticContact CE2-ND1 3.18Å; F288-H302 WeakPolarHBondContact CE2-ND1 3.26Å; F288-H302 AromaticContact CG-CE1 3.82Å; F288-H302 AromaticContact CZ-CE1 3.74Å; F288-H302 AromaticContact CZ-ND1 3.91Å | ||
| 303 | R | 98.6 | Very high | 98.3 | Very high | 72 Ų | 72 | 63.9 Ų | 63.9 | 27% | 0.272 | 30% | 0.299 | S | S | . | . | S | Bend | trans | -90 | -34.9 | 173 | -60.3 | -174.2 | -174.4 | -179.7 | 1.5 | 111.5 | N251 H252 P260 E262 F300 R301 | N251-R303 PolarHBondContact OD1-NH1 3.41Å; N251-R303 VanDerWaalsContact OD1-NH1 3.16Å; H252-R303 HydrophobicContact CB-CB 4.44Å; H252-R303 VanDerWaalsContact CE1-CD 3.48Å; H252-R303 WeakPolarHBondContact CE1-CD 3.49Å; H252-R303 PolarHBondContact CE1-NH1 2.8Å; H252-R303 VanDerWaalsContact ND1-CD 3.3Å; H252-R303 WeakPolarHBondContact ND1-CD 3.38Å; H252-R303 PolarHBondContact ND1-NH1 3.01Å; P260-R303 VanDerWaalsContact O-CZ 3.31Å; P260-R303 PolarHBondContact O-NH1 3.46Å; P260-R303 PolarHBondContact O-NH2 2.91Å; E262-R303 IonicContact OE1-CZ 2.66Å; E262-R303 IonicContact OE1-NE 3.43Å; E262-R303 IonicContact OE1-NH2 3.45Å; E262-R303 PolarHBondContact OE1-NH2 3.1Å; F300-R303 HydrophobicContact CE1-CG 4.39Å; F300-R303 HydrophobicContact CZ-CG 4.17Å; R301-R303 PolarHBondContact O-N 2.84Å |
| 304 | I | 98.2 | Very high | 98.3 | Very high | 6 Ų | 6 | 62 Ų | 62 | 3% | 0.031 | 29% | 0.289 | C | S | . | . | S | Bend | trans | -99.7 | 122.4 | 165.7 | -67.2 | -173.8 | 0 | 0 | 0 | 107.2 | R228 D231 A233 L254 E306 | R228-I304 VanDerWaalsContact NH1-CG2 3.28Å; D231-I304 HydrophobicContact CB-CD1 3.96Å; A233-I304 HydrophobicContact CB-CB 3.9Å; A233-I304 HydrophobicContact CB-CD1 3.94Å; A233-I304 HydrophobicContact CB-CG1 4.33Å; A233-I304 HydrophobicContact CB-CG2 4.17Å; L254-I304 HydrophobicContact CD2-CD1 3.57Å; L254-I304 HydrophobicContact CD2-CG1 3.99Å; I304-E306 WeakPolarHBondContact CG2-OE2 3.4Å |
| 305 | R | 97.5 | Very high | 98.4 | Very high | 181 Ų | 181 | 57 Ų | 57 | 68% | 0.683 | 26% | 0.263 | S | S | * | . | trans | -103.5 | -12 | -170.9 | -65.1 | -168.7 | -176.6 | 177.4 | 6.4 | 113.9 | L307 | R305-L307 PolarHBondContact O-N 3.46Š| ||
| 306 | E | 98 | Very high | 98.5 | Very high | 82 Ų | 82 | 54 Ų | 54 | 38% | 0.383 | 25% | 0.247 | S | C | . | . | trans | -75 | 64.5 | 172.7 | -54 | 79.1 | -170.9 | 0 | 0 | 109.9 | R228 I304 N308 Q309 | R228-E306 IonicContact NH1-OE2 3.98Å; R228-E306 PolarHBondContact NH1-OE2 2.86Å; I304-E306 WeakPolarHBondContact CG2-OE2 3.4Å; E306-N308 PolarHBondContact O-N 2.99Å; E306-Q309 HydrophobicContact CB-CB 4.15Å; E306-Q309 HydrophobicContact CB-CG 3.95Å; E306-Q309 WeakPolarHBondContact O-CA 3.3Å; E306-Q309 WeakPolarHBondContact O-CB 3.03Å; E306-Q309 PolarHBondContact O-N 2.91Å | ||
| 307 | L | 98.4 | Very high | 98.5 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 13% | 0.126 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -57 | -36.7 | -172.4 | -59.5 | -179.1 | 0 | 0 | 0 | 112.3 | V203 R305 Q309 I310 | V203-L307 HydrophobicContact CB-CB 4.45Å; V203-L307 PolarHBondContact N-O 3.19Å; V203-L307 CarbonylContact O-C 3.57Å; V203-L307 VanDerWaalsContact O-CB 3.31Å; V203-L307 WeakPolarHBondContact O-CB 3.45Å; V203-L307 VanDerWaalsContact O-O 3.1Å; R305-L307 PolarHBondContact O-N 3.46Å; L307-Q309 PolarHBondContact O-N 3.22Å; L307-Q309 VanDerWaalsContact O-N 3.16Å; L307-I310 HydrophobicContact CD2-CD1 3.81Å; L307-I310 WeakPolarHBondContact O-CB 3.48Å; L307-I310 PolarHBondContact O-N 2.91Å |
| 308 | N | 98.1 | Very high | 98.5 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 59% | 0.594 | 25% | 0.245 | S | C | * | . | G | 310 helix | trans | -64.8 | -14.4 | 176.1 | 66.6 | -39.2 | 0 | 0 | 0 | 114 | V203 E306 | V203-N308 PolarHBondContact O-N 3.25Å; E306-N308 PolarHBondContact O-N 2.99Å |
| 309 | Q | 98.6 | Very high | 98.4 | Very high | 101 Ų | 101 | 54.3 Ų | 54.3 | 47% | 0.472 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -96.3 | -6.1 | 173.8 | -58.4 | -177.3 | -7.5 | 0 | 0 | 112.6 | R228 E306 L307 D311 | R228-Q309 WeakPolarHBondContact CA-O 3.23Å; R228-Q309 HydrophobicContact CG-CB 3.69Å; R228-Q309 WeakPolarHBondContact CG-O 3.39Å; E306-Q309 HydrophobicContact CB-CB 4.15Å; E306-Q309 HydrophobicContact CB-CG 3.95Å; E306-Q309 WeakPolarHBondContact O-CA 3.3Å; E306-Q309 WeakPolarHBondContact O-CB 3.03Å; E306-Q309 PolarHBondContact O-N 2.91Å; L307-Q309 PolarHBondContact O-N 3.22Å; L307-Q309 VanDerWaalsContact O-N 3.16Å; Q309-D311 VanDerWaalsContact C-N 3.32Å; Q309-D311 PolarHBondContact O-N 2.79Å |
| 310 | I | 98.7 | Very high | 98.4 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -79.2 | 85.7 | 172.3 | -55.3 | 174 | 0 | 0 | 0 | 107.6 | G202 V203 F226 L227 R228 A233 F288 L307 | G202-I310 CarbonylContact C-O 3.51Å; G202-I310 WeakPolarHBondContact CA-O 3.39Å; V203-I310 HydrophobicContact CB-CB 4.22Å; V203-I310 HydrophobicContact CG2-CB 3.9Å; V203-I310 HydrophobicContact CG2-CG2 3.71Å; V203-I310 PolarHBondContact N-O 2.97Å; V203-I310 VanDerWaalsContact N-O 3.13Å; F226-I310 HydrophobicContact CB-CG2 3.69Å; F226-I310 HydrophobicContact CD1-CG2 4.23Å; F226-I310 HydrophobicContact CG-CG2 4.49Å; L227-I310 CarbonylContact O-C 3.08Å; L227-I310 VanDerWaalsContact O-CA 3.23Å; L227-I310 WeakPolarHBondContact O-CA 3.49Å; R228-I310 HydrophobicContact CB-CG1 4.31Å; A233-I310 HydrophobicContact CB-CD1 3.43Å; A233-I310 VanDerWaalsContact CB-CD1 3.43Å; A233-I310 HydrophobicContact CB-CG1 3.73Å; A233-I310 HydrophobicContact CB-CG2 4.36Å; F288-I310 HydrophobicContact CZ-CD1 4.19Å; L307-I310 HydrophobicContact CD2-CD1 3.81Å; L307-I310 WeakPolarHBondContact O-CB 3.48Å; L307-I310 PolarHBondContact O-N 2.91Å | ||
| 311 | D | 98.3 | Very high | 98.3 | Very high | 65 Ų | 65 | 53.5 Ų | 53.5 | 35% | 0.348 | 24% | 0.244 | S | C | . | . | trans | -105.7 | -4 | -162.4 | 68.3 | -14.6 | 0 | 0 | 0 | 114.2 | N198 L199 L227 Q309 | N198-D311 CarbonylContact C-O 3.51Å; N198-D311 WeakPolarHBondContact CA-O 3.29Å; L199-D311 PolarHBondContact N-O 3.48Å; L227-D311 PolarHBondContact O-N 3.46Å; Q309-D311 VanDerWaalsContact C-N 3.32Å; Q309-D311 PolarHBondContact O-N 2.79Å | ||
| 312 | R | 98.4 | Very high | 98.2 | Very high | 83 Ų | 83 | 47 Ų | 47 | 31% | 0.313 | 22% | 0.222 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 144.9 | -178.2 | -66.1 | -179.8 | -63.4 | 164.7 | 5 | 112.1 | L197 N198 L227 G229 | L197-R312 CarbonylContact O-C 3.47Å; L197-R312 WeakPolarHBondContact O-CA 3.24Å; N198-R312 WeakPolarHBondContact OD1-CG 3.33Å; L227-R312 HydrophobicContact CB-CB 4.2Å; L227-R312 HydrophobicContact CD1-CB 4.21Å; L227-R312 WeakPolarHBondContact CD1-O 3.39Å; L227-R312 PolarHBondContact N-O 2.83Å; L227-R312 PolarHBondContact O-N 3.02Å; G229-R312 PolarHBondContact O-NH2 3.29Å |
| 313 | I | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 128.8 | 172.3 | -67 | 175.7 | 0 | 0 | 0 | 109.4 | N196 L197 L199 M207 M209 V224 N225 F226 I315 | N196-I313 CarbonylContact C-O 3.51Å; N196-I313 WeakPolarHBondContact CA-O 3.34Å; L197-I313 HydrophobicContact CB-CB 4.4Å; L197-I313 PolarHBondContact N-O 2.82Å; L197-I313 PolarHBondContact O-N 2.92Å; L199-I313 HydrophobicContact CD1-CD1 3.75Å; L199-I313 HydrophobicContact CD1-CG1 4.05Å; L199-I313 HydrophobicContact CG-CD1 4.41Å; M207-I313 HydrophobicContact CE-CD1 4.47Å; M209-I313 HydrophobicContact CE-CB 4.34Å; M209-I313 HydrophobicContact CE-CD1 3.13Å; M209-I313 HydrophobicContact CE-CG1 4.29Å; M209-I313 HydrophobicContact CE-CG2 4.13Å; M209-I313 HydrophobicContact SD-CD1 3.67Å; M209-I313 HydrophobicContact SD-CG2 4.11Å; V224-I313 HydrophobicContact CG1-CG2 4.38Å; N225-I313 CarbonylContact O-C 3.6Å; N225-I313 WeakPolarHBondContact O-CA 3.2Å; F226-I313 HydrophobicContact CD1-CD1 3.69Å; F226-I313 HydrophobicContact CD1-CG1 3.85Å; F226-I313 HydrophobicContact CE1-CD1 3.35Å; F226-I313 HydrophobicContact CE1-CG1 4.02Å; F226-I313 HydrophobicContact CE2-CD1 4.47Å; F226-I313 HydrophobicContact CG-CD1 4.41Å; F226-I313 HydrophobicContact CG-CG1 4.2Å; F226-I313 HydrophobicContact CZ-CD1 3.77Å; F226-I313 HydrophobicContact CZ-CG1 4.45Å; I313-I315 HydrophobicContact CG2-CG1 4.36Å |
| 314 | N | 98 | Very high | 98 | Very high | 26 Ų | 26 | 48.4 Ų | 48.4 | 14% | 0.139 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 127.4 | 177.4 | -62.8 | 2.4 | 0 | 0 | 0 | 109.9 | Y195 N196 V224 N225 L227 L316 | Y195-N314 CarbonylContact O-C 3.58Å; Y195-N314 VanDerWaalsContact O-CA 3.3Å; Y195-N314 WeakPolarHBondContact O-CA 3.48Å; N196-N314 PolarHBondContact OD1-ND2 3.38Å; N196-N314 PolarHBondContact OD1-OD1 3.34Å; V224-N314 WeakPolarHBondContact CA-O 3.32Å; N225-N314 HydrophobicContact CB-CB 4.36Å; N225-N314 PolarHBondContact N-O 3.29Å; N225-N314 PolarHBondContact O-N 3.22Å; L227-N314 HydrophobicContact CD1-CB 3.88Å; L227-N314 VanDerWaalsContact CD1-CG 3.44Å; N314-L316 HydrophobicContact CB-CD2 4.27Å; N314-L316 HydrophobicContact CB-CG 4.44Å |
| 315 | I | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.6 | 173.2 | -52 | 170.8 | 0 | 0 | 0 | 108.5 | P194 Y195 I211 T223 V224 I313 V319 L321 V324 | P194-I315 WeakPolarHBondContact CA-O 3.4Å; Y195-I315 HydrophobicContact CD1-CD1 4Å; Y195-I315 HydrophobicContact CD1-CG1 4.37Å; Y195-I315 PolarHBondContact N-O 3.49Å; Y195-I315 PolarHBondContact O-N 3.1Å; I211-I315 HydrophobicContact CD1-CD1 3.79Å; I211-I315 HydrophobicContact CG1-CD1 4.15Å; I211-I315 HydrophobicContact CG2-CD1 4.25Å; T223-I315 CarbonylContact O-C 3.58Å; T223-I315 VanDerWaalsContact O-CA 3.27Å; T223-I315 WeakPolarHBondContact O-CA 3.47Å; V224-I315 HydrophobicContact CG1-CG1 4.33Å; V224-I315 HydrophobicContact CG2-CG1 4.35Å; V224-I315 HydrophobicContact CG2-CG2 4.37Å; I313-I315 HydrophobicContact CG2-CG1 4.36Å; I315-V319 HydrophobicContact CG2-CG1 3.82Å; I315-L321 HydrophobicContact CB-CD1 4.1Å; I315-L321 HydrophobicContact CD1-CD1 3.83Å; I315-L321 HydrophobicContact CD1-CD2 4.28Å; I315-L321 HydrophobicContact CG2-CD1 4.11Å; I315-L321 HydrophobicContact CG2-CD2 4.22Å; I315-V324 HydrophobicContact CD1-CG2 4.19Å |
| 316 | L | 98.7 | Very high | 98 | Very high | 47 Ų | 47 | 44 Ų | 44 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 163.8 | -166.3 | -48 | 173.9 | 0 | 0 | 0 | 112.1 | P194 T223 N314 | P194-L316 HydrophobicContact CB-CD2 3.39Å; T223-L316 PolarHBondContact N-O 3.32Å; T223-L316 VanDerWaalsContact N-O 3.11Å; T223-L316 PolarHBondContact O-N 3.24Å; N314-L316 HydrophobicContact CB-CD2 4.27Å; N314-L316 HydrophobicContact CB-CG 4.44Å |
| 317 | N | 98.6 | Very high | 97.9 | Very high | 68 Ų | 68 | 44.3 Ų | 44.3 | 36% | 0.364 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | 69.1 | -129 | 169.9 | -47.1 | 95.9 | 0 | 0 | 0 | 115.3 | K216 M221 T223 V319 | K216-N317 PolarHBondContact NZ-O 3.44Å; M221-N317 VanDerWaalsContact O-CB 3.23Å; M221-N317 WeakPolarHBondContact O-CB 3.42Å; T223-N317 PolarHBondContact OG1-OD1 2.88Å; N317-V319 VanDerWaalsContact C-N 3.27Å; N317-V319 PolarHBondContact O-N 3.23Å |
| 318 | D | 98.5 | Very high | 97.9 | Very high | 34 Ų | 34 | 47 Ų | 47 | 18% | 0.182 | 24% | 0.24 | C | C | . | . | S | Bend | trans | -90.1 | 50.9 | -155.4 | -57 | -35.7 | 0 | 0 | 0 | 114.3 | K216 A219 N220 M221 | K216-D318 HydrophobicContact CB-CB 4.35Å; K216-D318 HydrophobicContact CD-CB 4.35Å; K216-D318 PolarHBondContact N-O 2.74Å; A219-D318 HydrophobicContact CB-CB 3.5Å; N220-D318 PolarHBondContact N-OD2 3Å; M221-D318 PolarHBondContact N-OD2 3.01Å; M221-D318 VanDerWaalsContact O-CB 3.23Å; M221-D318 WeakPolarHBondContact O-CB 3.43Å; M221-D318 PolarHBondContact O-N 3.33Å |
| 319 | V | 98.3 | Very high | 97.8 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.012 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 150.8 | -180 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | V193 Y214 K216 F222 F277 I315 N317 L321 | V193-V319 HydrophobicContact CG1-CG1 4.35Å; V193-V319 HydrophobicContact CG2-CG1 4.2Å; Y214-V319 WeakPolarHBondContact O-CA 3.13Å; Y214-V319 WeakPolarHBondContact O-CG2 3.25Å; K216-V319 WeakPolarHBondContact CE-O 3.37Å; F222-V319 HydrophobicContact CB-CB 4.1Å; F222-V319 HydrophobicContact CB-CG1 4.14Å; F222-V319 HydrophobicContact CG-CB 4.36Å; F277-V319 HydrophobicContact CE1-CG2 3.61Å; F277-V319 HydrophobicContact CZ-CG2 3.74Å; I315-V319 HydrophobicContact CG2-CG1 3.82Å; N317-V319 VanDerWaalsContact C-N 3.27Å; N317-V319 PolarHBondContact O-N 3.23Å; V319-L321 HydrophobicContact CG1-CD2 4.45Å; V319-L321 HydrophobicContact CG2-CD2 3.92Å |
| 320 | V | 97.4 | Very high | 97.3 | Very high | 52 Ų | 52 | 47.5 Ų | 47.5 | 32% | 0.315 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 124.9 | 166.1 | 179.3 | 0 | 0 | 0 | 0 | 107.2 | P190 G213 Y214 K216 | P190-V320 HydrophobicContact CB-CG1 3.8Å; G213-V320 CarbonylContact C-O 3.58Å; G213-V320 WeakPolarHBondContact CA-O 3.35Å; Y214-V320 PolarHBondContact N-O 3.28Å; Y214-V320 PolarHBondContact O-N 3.19Å; K216-V320 HydrophobicContact CG-CG2 4.24Å |
| 321 | L | 97.8 | Very high | 97.2 | Very high | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 137 | -177.7 | -63.9 | 178.6 | 0 | 0 | 0 | 110.4 | P190 M191 V193 Y195 I211 I315 V319 V324 | P190-L321 CarbonylContact C-O 3.55Å; P190-L321 WeakPolarHBondContact CA-O 3.42Å; M191-L321 HydrophobicContact CB-CB 3.96Å; M191-L321 HydrophobicContact CE-CB 3.98Å; M191-L321 PolarHBondContact N-O 3.44Å; V193-L321 HydrophobicContact CG2-CD1 3.98Å; V193-L321 HydrophobicContact CG2-CG 3.91Å; Y195-L321 VanDerWaalsContact CB-CD1 3.44Å; Y195-L321 HydrophobicContact CD1-CD1 4.13Å; Y195-L321 HydrophobicContact CD2-CD1 4.2Å; Y195-L321 HydrophobicContact CG-CD1 3.68Å; I211-L321 HydrophobicContact CG2-CD2 3.69Å; I315-L321 HydrophobicContact CB-CD1 4.1Å; I315-L321 HydrophobicContact CD1-CD1 3.83Å; I315-L321 HydrophobicContact CD1-CD2 4.28Å; I315-L321 HydrophobicContact CG2-CD1 4.11Å; I315-L321 HydrophobicContact CG2-CD2 4.22Å; V319-L321 HydrophobicContact CG1-CD2 4.45Å; V319-L321 HydrophobicContact CG2-CD2 3.92Å; L321-V324 HydrophobicContact CD1-CG2 4.26Å |
| 322 | T | 96.9 | Very high | 97.1 | Very high | 20 Ų | 20 | 49.1 Ų | 49.1 | 12% | 0.123 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | -26.6 | 179.6 | 62.3 | 0 | 0 | 0 | 0 | 112.1 | P186 L212 Y214 | P186-T322 WeakPolarHBondContact CB-O 3.15Å; L212-T322 PolarHBondContact O-N 2.89Å; L212-T322 PolarHBondContact O-OG1 2.86Å; Y214-T322 HydrophobicContact CD2-CG2 4.02Å; Y214-T322 HydrophobicContact CE2-CG2 3.99Å |
| 323 | Y | 96.1 | Very high | 97.1 | Very high | 91 Ų | 91 | 47.2 Ų | 47.2 | 36% | 0.357 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.7 | 138 | 172.2 | -179.7 | -102.8 | 0 | 0 | 0 | 111.2 | L212 N325 | L212-Y323 HydrophobicContact CD1-CD1 3.82Å; L212-Y323 HydrophobicContact CD1-CG 4.06Å; L212-Y323 HydrophobicContact CG-CD1 3.93Å; L212-Y323 HydrophobicContact CG-CG 4.38Å; L212-Y323 PolarHBondContact N-O 3.2Å; L212-Y323 PolarHBondContact O-N 3.14Å; Y323-N325 HydrophobicContact CD1-CB 4.21Å; Y323-N325 HydrophobicContact CE1-CB 3.29Å; Y323-N325 HydrophobicContact CE2-CB 4.21Å; Y323-N325 WeakPolarHBondContact OH-CB 3.48Å; Y323-N325 VanDerWaalsContact OH-CG 3.26Å; Y323-N325 PolarHBondContact OH-ND2 3.48Å |
| 324 | V | 97.3 | Very high | 97 | Very high | 22 Ų | 22 | 50 Ų | 50 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 125.2 | 169.7 | 178.3 | 0 | 0 | 0 | 0 | 106.7 | M191 Y195 L197 M209 T210 I211 I315 L321 | M191-V324 HydrophobicContact CE-CB 4.43Å; M191-V324 HydrophobicContact CE-CG2 4.05Å; M191-V324 HydrophobicContact SD-CG2 4.37Å; Y195-V324 HydrophobicContact CD1-CG2 4.44Å; Y195-V324 HydrophobicContact CE1-CB 4.09Å; Y195-V324 HydrophobicContact CE1-CG1 3.94Å; Y195-V324 HydrophobicContact CE1-CG2 4Å; L197-V324 HydrophobicContact CD2-CG1 4.41Å; M209-V324 HydrophobicContact CE-CG1 4.14Å; T210-V324 WeakPolarHBondContact O-CA 3.34Å; I211-V324 HydrophobicContact CG1-CG2 4.48Å; I211-V324 HydrophobicContact CG2-CG2 4.37Å; I315-V324 HydrophobicContact CD1-CG2 4.19Å; L321-V324 HydrophobicContact CD1-CG2 4.26Å |
| 325 | N | 97 | Very high | 96.9 | Very high | 51 Ų | 51 | 51.5 Ų | 51.5 | 27% | 0.273 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 150.7 | 178.4 | -178.1 | 48.9 | 0 | 0 | 0 | 111.3 | M209 T210 Y323 | M209-N325 CarbonylContact C-O 3.56Å; M209-N325 WeakPolarHBondContact CA-O 3.47Å; T210-N325 PolarHBondContact N-O 3.27Å; T210-N325 PolarHBondContact O-N 3.49Å; Y323-N325 HydrophobicContact CD1-CB 4.21Å; Y323-N325 HydrophobicContact CE1-CB 3.29Å; Y323-N325 HydrophobicContact CE2-CB 4.21Å; Y323-N325 WeakPolarHBondContact OH-CB 3.48Å; Y323-N325 VanDerWaalsContact OH-CG 3.26Å; Y323-N325 PolarHBondContact OH-ND2 3.48Å |
| 326 | V | 97.4 | Very high | 96.8 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 27% | 0.273 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 126 | 173.3 | 174.8 | 0 | 0 | 0 | 0 | 107.8 | L197 L199 M207 M208 M209 | L197-V326 HydrophobicContact CD2-CG2 3.8Å; L199-V326 HydrophobicContact CD2-CG2 4.2Å; M207-V326 HydrophobicContact CE-CB 4.34Å; M207-V326 HydrophobicContact CE-CG1 3.47Å; M207-V326 VanDerWaalsContact CE-CG1 3.47Å; M207-V326 HydrophobicContact CE-CG2 3.86Å; M207-V326 HydrophobicContact CG-CG1 3.79Å; M207-V326 HydrophobicContact SD-CG1 4.3Å; M208-V326 WeakPolarHBondContact O-CA 3.24Å; M209-V326 HydrophobicContact CB-CG2 4.45Å; M209-V326 HydrophobicContact CE-CG2 3.65Å |
| 327 | E | 96.8 | Very high | 96.6 | Very high | 88 Ų | 88 | 55.4 Ų | 55.4 | 41% | 0.411 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 164.2 | 176.3 | 66.6 | -169.8 | 158.6 | 0 | 0 | 111 | M208 L329 | M208-E327 HydrophobicContact CB-CG 3.98Å; M208-E327 HydrophobicContact CG-CG 4.39Å; M208-E327 PolarHBondContact N-O 3.49Å; M208-E327 PolarHBondContact O-N 3.16Å; E327-L329 HydrophobicContact CG-CD2 4.48Å |
| 328 | T | 97.8 | Very high | 96.5 | Very high | 79 Ų | 79 | 54.5 Ų | 54.5 | 49% | 0.485 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 123.5 | 170.4 | -50.6 | 0 | 0 | 0 | 0 | 108.1 | Y204 K206 | Y204-T328 HydrophobicContact CE2-CG2 3.94Å; Y204-T328 WeakPolarHBondContact CE2-OG1 3.48Å; Y204-T328 PolarHBondContact OH-OG1 3.31Å; K206-T328 HydrophobicContact CB-CG2 4.24Å |
| 329 | L | 95.6 | Very high | 96.3 | Very high | 58 Ų | 58 | 56.2 Ų | 56.2 | 30% | 0.304 | 31% | 0.314 | S | S | . | . | trans | -72.3 | 148.6 | 171.7 | -62.2 | -171.4 | 0 | 0 | 0 | 110.7 | K206 M208 L282 E327 | K206-L329 HydrophobicContact CB-CB 4.36Å; K206-L329 WeakPolarHBondContact CD-O 3.3Å; K206-L329 PolarHBondContact O-N 3.47Å; M208-L329 HydrophobicContact CB-CD1 4.4Å; M208-L329 HydrophobicContact CB-CD2 4.18Å; M208-L329 HydrophobicContact CB-CG 4Å; M208-L329 HydrophobicContact CE-CD1 4Å; L282-L329 HydrophobicContact CD1-CD1 3.73Å; L282-L329 HydrophobicContact CD1-CG 4.32Å; L282-L329 HydrophobicContact CD2-CD1 4.29Å; E327-L329 HydrophobicContact CG-CD2 4.48Å | ||
| 330 | P | 87.7 | Confident | 96.2 | Very high | 166 Ų | 166 | 61.1 Ų | 61.1 | 100% | 1.078 | 34% | 0.341 | S | S | * | . | trans | -59.4 | 0 | -176.5 | 21.4 | -31.9 | 0 | 0 | 0 | 114.8 | K206 | K206-P330 PolarHBondContact NZ-O 3.43Å; K206-P330 PolarHBondContact NZ-OXT 3.48Å |
Retrieved 330 of 330 residues in 507.1 ms
(Link to these results)