| 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 | 48.7 | Very low | 51.9 | Low | 242 Ų | 242 | 141.4 Ų | 141.4 | 100% | 1.192 | 84% | 0.839 | S | S | * | * | 0 | 64.8 | 0 | -47.7 | 175.7 | -170.2 | 0 | 0 | 105 | |||||
| 2 | D | 44.5 | Very low | 51.4 | Low | 157 Ų | 157 | 147 Ų | 147 | 84% | 0.84 | 85% | 0.845 | S | S | * | * | 50 | 108.3 | 83.8 | -179.7 | -129.6 | 0 | 0 | 0 | 112.6 | |||||
| 3 | A | 51.1 | Low | 51 | Low | 83 Ų | 83 | 151.8 Ų | 151.8 | 69% | 0.686 | 85% | 0.85 | S | S | * | * | 160 | 106.9 | 123.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 4 | S | 57.7 | Low | 51.1 | Low | 113 Ų | 113 | 151 Ų | 151 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | -66.5 | 143.7 | 156.4 | -75.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 5 | P | 62.9 | Low | 50.3 | Low | 132 Ų | 132 | 150.2 Ų | 150.2 | 86% | 0.857 | 84% | 0.835 | S | S | * | * | trans | -94.2 | 114.3 | 160.4 | 30.9 | -26.6 | 0 | 0 | 0 | 111.2 | ||||
| 6 | S | 63.1 | Low | 50.1 | Low | 101 Ų | 101 | 151.4 Ų | 151.4 | 71% | 0.706 | 83% | 0.832 | S | S | * | * | trans | -76.4 | 148.3 | 165.2 | -51.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | P | 55.6 | Low | 49.7 | Very low | 131 Ų | 131 | 151.3 Ų | 151.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -86.1 | 110.7 | 173.9 | 31.9 | -31.1 | 0 | 0 | 0 | 111.6 | ||||
| 8 | F | 43.4 | Very low | 49.2 | Very low | 196 Ų | 196 | 148.5 Ų | 148.5 | 86% | 0.86 | 82% | 0.823 | S | S | * | * | trans | -121.8 | 115.1 | 168.8 | -116.3 | -90.6 | 0 | 0 | 0 | 109.3 | ||||
| 9 | S | 42.5 | Very low | 49.2 | Very low | 115 Ų | 115 | 145.4 Ų | 145.4 | 80% | 0.804 | 82% | 0.818 | S | S | * | * | trans | -163.9 | 106.7 | 159.3 | -90.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 10 | L | 52.1 | Low | 49.4 | Very low | 167 Ų | 167 | 150.1 Ų | 150.1 | 87% | 0.874 | 82% | 0.823 | S | S | * | * | -174.4 | 138.4 | 106.1 | -95.1 | 152 | 0 | 0 | 0 | 110.5 | |||||
| 11 | P | 49.7 | Very low | 49.4 | Very low | 118 Ų | 118 | 155 Ų | 155 | 77% | 0.766 | 83% | 0.829 | S | S | * | * | trans | -92.9 | 169.4 | -174.5 | 36.1 | -33.8 | 0 | 0 | 0 | 115.2 | ||||
| 12 | K | 46 | Very low | 49.2 | Very low | 209 Ų | 209 | 147 Ų | 147 | 91% | 0.909 | 81% | 0.809 | S | S | * | * | trans | -61.3 | 138.8 | -173.6 | -52 | 175.7 | -179 | 178.9 | 0 | 113.6 | ||||
| 13 | K | 46.1 | Very low | 49.5 | Very low | 210 Ų | 210 | 144 Ų | 144 | 91% | 0.913 | 80% | 0.8 | S | S | * | * | trans | -108.8 | 92.1 | 165.3 | -158.6 | 158.2 | -175.1 | 173.5 | 0 | 107.8 | ||||
| 14 | L | 52.1 | Low | 49.2 | Very low | 140 Ų | 140 | 146.7 Ų | 146.7 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | 68.8 | 99.4 | 100.8 | -157.2 | 122.6 | 0 | 0 | 0 | 112.8 | |||||
| 15 | N | 39.6 | Very low | 48.8 | Very low | 139 Ų | 139 | 149 Ų | 149 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | trans | -76.4 | 120.8 | 168.4 | -179.2 | 34 | 0 | 0 | 0 | 108.4 | ||||
| 16 | E | 46.3 | Very low | 48.2 | Very low | 170 Ų | 170 | 148.7 Ų | 148.7 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | trans | -113.6 | 107.4 | 170.3 | -164.3 | 170.7 | 108.6 | 0 | 0 | 109.1 | ||||
| 17 | L | 43.2 | Very low | 47.3 | Very low | 149 Ų | 149 | 151 Ų | 151 | 78% | 0.78 | 80% | 0.795 | S | S | * | * | trans | -76.4 | 120.9 | 169.8 | -85.4 | 148 | 0 | 0 | 0 | 109 | ||||
| 18 | S | 41.6 | Very low | 46.6 | Very low | 101 Ų | 101 | 149.2 Ų | 149.2 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | -127.8 | 99.1 | 156.6 | 174.9 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 19 | A | 47.9 | Very low | 46.5 | Very low | 90 Ų | 90 | 145.4 Ų | 145.4 | 74% | 0.744 | 78% | 0.783 | S | S | * | * | trans | -86.7 | 114.6 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 20 | R | 53.1 | Low | 46.6 | Very low | 239 Ų | 239 | 143.8 Ų | 143.8 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -140.4 | 114.1 | 158.8 | -65.5 | -160.9 | 173.8 | -132.6 | -6.3 | 111.7 | ||||
| 21 | R | 49.4 | Very low | 46.2 | Very low | 253 Ų | 253 | 143.5 Ų | 143.5 | 96% | 0.955 | 78% | 0.783 | S | S | * | * | trans | -65 | 134.8 | 167.2 | -163.4 | 178 | -155.1 | -106.8 | 4 | 108.5 | ||||
| 22 | G | 44.6 | Very low | 46.1 | Very low | 75 Ų | 75 | 145.7 Ų | 145.7 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -170.9 | 97.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 23 | S | 51.6 | Low | 45.7 | Very low | 93 Ų | 93 | 142.8 Ų | 142.8 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -71.9 | -178.5 | 163.7 | 38.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 24 | D | 44.1 | Very low | 45.5 | Very low | 139 Ų | 139 | 136.2 Ų | 136.2 | 74% | 0.743 | 77% | 0.772 | S | S | * | * | trans | 68.8 | 135.7 | 161.1 | 47.6 | -86.9 | 0 | 0 | 0 | 116.7 | ||||
| 25 | E | 50.5 | Low | 45.4 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 75% | 0.752 | 77% | 0.77 | S | S | * | * | cis | -178.7 | 156.8 | 5 | -106.8 | -92.9 | 99.2 | 0 | 0 | 104.6 | ||||
| 26 | L | 50.8 | Low | 45.5 | Very low | 126 Ų | 126 | 137 Ų | 137 | 66% | 0.66 | 78% | 0.775 | S | S | * | * | trans | 88.8 | 119.2 | 147.4 | -65.4 | 165.7 | 0 | 0 | 0 | 123.9 | ||||
| 27 | L | 43.4 | Very low | 45.3 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 78% | 0.78 | 78% | 0.777 | S | S | * | * | trans | 73.5 | 137.8 | 135.6 | -54.6 | 164.8 | 0 | 0 | 0 | 117 | ||||
| 28 | S | 40.4 | Very low | 45.2 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 79% | 0.786 | S | S | * | * | cis | -170.3 | 143.4 | 22.6 | -132.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 29 | S | 41.8 | Very low | 45.1 | Very low | 116 Ų | 116 | 140.3 Ų | 140.3 | 81% | 0.811 | 79% | 0.792 | S | S | * | * | trans | 73.3 | 111.7 | 133.2 | -54.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 30 | G | 45 | Very low | 44.6 | Very low | 81 Ų | 81 | 139.9 Ų | 139.9 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | trans | -166.5 | 84.7 | 157.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 31 | I | 43.9 | Very low | 44.1 | Very low | 161 Ų | 161 | 133 Ų | 133 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | trans | -75.8 | 127 | 178.1 | -61.8 | 168.9 | 0 | 0 | 0 | 109.7 | ||||
| 32 | I | 46.9 | Very low | 44.4 | Very low | 164 Ų | 164 | 126.6 Ų | 126.6 | 84% | 0.841 | 76% | 0.761 | S | S | * | * | trans | -163.1 | 150.7 | 138.5 | -164.9 | 151.4 | 0 | 0 | 0 | 112.1 | ||||
| 33 | N | 37.2 | Very low | 44.5 | Very low | 149 Ų | 149 | 129.1 Ų | 129.1 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | -82.8 | 149.8 | -152.3 | -51.9 | -18.9 | 0 | 0 | 0 | 115.8 | ||||
| 34 | G | 42.6 | Very low | 43.9 | Very low | 71 Ų | 71 | 129.4 Ų | 129.4 | 73% | 0.732 | 77% | 0.766 | S | S | * | * | trans | 171.5 | 120.8 | 158.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 35 | P | 49.9 | Very low | 44 | Very low | 107 Ų | 107 | 129.7 Ų | 129.7 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -83.3 | 145.9 | 177.5 | 34.3 | -29.8 | 0 | 0 | 0 | 109.5 | ||||
| 36 | F | 41.1 | Very low | 43.6 | Very low | 190 Ų | 190 | 126.5 Ų | 126.5 | 83% | 0.833 | 77% | 0.774 | S | S | * | * | trans | 164.2 | 129.6 | 135.2 | -80 | -57.2 | 0 | 0 | 0 | 110.3 | ||||
| 37 | T | 41.6 | Very low | 43.4 | Very low | 139 Ų | 139 | 127.9 Ų | 127.9 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | 77 | 118.4 | 153.6 | 61.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 38 | M | 42.8 | Very low | 43.7 | Very low | 195 Ų | 195 | 124.1 Ų | 124.1 | 96% | 0.961 | 78% | 0.779 | S | S | * | * | trans | -55.2 | 137.2 | 162.6 | -73.2 | 170.4 | 172.1 | 0 | 0 | 111.9 | ||||
| 39 | N | 39.5 | Very low | 44.2 | Very low | 154 Ų | 154 | 125.4 Ų | 125.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | -156.6 | 142.9 | 129.5 | -171.2 | 33.5 | 0 | 0 | 0 | 110.9 | |||||
| 40 | S | 36.3 | Very low | 44.8 | Very low | 82 Ų | 82 | 127.6 Ų | 127.6 | 57% | 0.573 | 78% | 0.781 | S | S | * | * | trans | -66.5 | 158.8 | -175.2 | 74.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 41 | S | 42.9 | Very low | 45 | Very low | 95 Ų | 95 | 127.1 Ų | 127.1 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | 86.9 | 120 | 142.6 | -51.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 42 | T | 56 | Low | 45.1 | Very low | 117 Ų | 117 | 127.5 Ų | 127.5 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | 79.2 | 116 | 148.6 | 61 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 43 | P | 47 | Very low | 45 | Very low | 129 Ų | 129 | 129.3 Ų | 129.3 | 84% | 0.838 | 76% | 0.763 | S | S | * | * | trans | -82.2 | 113.3 | 147.3 | 31.7 | -23.6 | 0 | 0 | 0 | 108.4 | ||||
| 44 | S | 37.2 | Very low | 45.4 | Very low | 99 Ų | 99 | 130.1 Ų | 130.1 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -127.9 | 78.8 | 165.2 | 43.1 | 0 | 0 | 0 | 0 | 109.4 | A46 | S44-A46 PolarHBondContact O-N 3.2Å; S44-A46 VanDerWaalsContact O-N 3.14Å | ||
| 45 | T | 46 | Very low | 45.9 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 89% | 0.89 | 76% | 0.757 | S | S | * | * | trans | -58.7 | 102.9 | 144 | 11.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 46 | A | 43.7 | Very low | 45.7 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 76% | 0.764 | S | S | * | * | trans | 154.8 | 103.4 | 148.2 | 0 | 0 | 0 | 0 | 0 | 109.1 | S44 | S44-A46 PolarHBondContact O-N 3.2Å; S44-A46 VanDerWaalsContact O-N 3.14Å | ||
| 47 | N | 45.5 | Very low | 45.9 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 83% | 0.829 | 76% | 0.762 | S | S | * | * | trans | -145.2 | 99 | 142.4 | -166.3 | 31.7 | 0 | 0 | 0 | 108.2 | N49 | N47-N49 PolarHBondContact O-N 3.5Š| ||
| 48 | G | 50.7 | Low | 46.5 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 76% | 0.76 | S | S | * | * | trans | -59.8 | 124 | 162.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 49 | N | 51.4 | Low | 46.8 | Very low | 121 Ų | 121 | 137 Ų | 137 | 65% | 0.647 | 75% | 0.747 | S | S | * | * | trans | -124.6 | 94.3 | 136.5 | 98.4 | 70.7 | 0 | 0 | 0 | 106.5 | N47 S51 | N47-N49 PolarHBondContact O-N 3.5Å; N49-S51 PolarHBondContact O-N 2.91Å; N49-S51 PolarHBondContact OD1-N 3.02Å; N49-S51 PolarHBondContact OD1-OG 3.15Å; N49-S51 VanDerWaalsContact OD1-OG 3.08Å | ||
| 50 | D | 53.9 | Low | 47.6 | Very low | 161 Ų | 161 | 134.1 Ų | 134.1 | 86% | 0.861 | 74% | 0.736 | S | S | * | * | trans | -69.3 | 92.2 | 146 | -177.2 | -101.9 | 0 | 0 | 0 | 105.4 | ||||
| 51 | S | 47.9 | Very low | 48.5 | Very low | 72 Ų | 72 | 134.7 Ų | 134.7 | 50% | 0.503 | 74% | 0.739 | S | S | . | * | trans | -133.1 | 107.5 | 144.7 | 60.3 | 0 | 0 | 0 | 0 | 105.3 | N49 K53 | N49-S51 PolarHBondContact O-N 2.91Å; N49-S51 PolarHBondContact OD1-N 3.02Å; N49-S51 PolarHBondContact OD1-OG 3.15Å; N49-S51 VanDerWaalsContact OD1-OG 3.08Å; S51-K53 PolarHBondContact O-N 3.31Å | ||
| 52 | K | 46.3 | Very low | 49.7 | Very low | 168 Ų | 168 | 135 Ų | 135 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | trans | -29.2 | 109.3 | 146.7 | -82.3 | 171.3 | 173.2 | 163.7 | 0 | 106.3 | F54 | K52-F54 PolarHBondContact O-N 3.44Š| ||
| 53 | K | 44.7 | Very low | 50.7 | Low | 202 Ų | 202 | 132.1 Ų | 132.1 | 88% | 0.878 | 73% | 0.725 | S | S | * | * | trans | -65.1 | 79.9 | 162 | -77.2 | -168.7 | 177.3 | -177 | 0 | 105.3 | S51 K55 | S51-K53 PolarHBondContact O-N 3.31Å; K53-K55 VanDerWaalsContact C-N 3.3Å; K53-K55 PolarHBondContact O-N 3.42Å | ||
| 54 | F | 47.2 | Very low | 52.5 | Low | 167 Ų | 167 | 126.1 Ų | 126.1 | 73% | 0.732 | 69% | 0.686 | S | S | * | * | trans | -62.9 | 99 | 178.7 | -154.4 | -93.7 | 0 | 0 | 0 | 103.9 | K52 R56 | K52-F54 PolarHBondContact O-N 3.44Å; F54-R56 PolarHBondContact O-N 2.98Å | ||
| 55 | K | 51.7 | Low | 55 | Low | 154 Ų | 154 | 126.5 Ų | 126.5 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | S | Bend | trans | 40.6 | 83.3 | 164.5 | -62.3 | -178.8 | 172.1 | -173 | 0 | 113.1 | K53 D57 | K53-K55 VanDerWaalsContact C-N 3.3Å; K53-K55 PolarHBondContact O-N 3.42Å; K55-D57 PolarHBondContact O-N 3.43Å; K55-D57 VanDerWaalsContact O-N 3.11Å |
| 56 | R | 46.5 | Very low | 57.1 | Low | 223 Ų | 223 | 119.6 Ų | 119.6 | 84% | 0.842 | 63% | 0.63 | S | S | * | * | trans | 12.7 | 95.4 | 139.3 | -178.3 | -175.8 | -173.3 | 121.5 | 0.1 | 112 | F54 R58 | F54-R56 PolarHBondContact O-N 2.98Å; R56-R58 PolarHBondContact O-N 2.95Å | ||
| 57 | D | 43.9 | Very low | 59.3 | Low | 150 Ų | 150 | 115.2 Ų | 115.2 | 80% | 0.802 | 59% | 0.593 | S | S | * | * | 10.2 | 69.1 | 128.4 | -153.1 | -89.8 | 0 | 0 | 0 | 113 | K55 | K55-D57 PolarHBondContact O-N 3.43Å; K55-D57 VanDerWaalsContact O-N 3.11Å | |||
| 58 | R | 55.6 | Low | 61.5 | Low | 216 Ų | 216 | 108.9 Ų | 108.9 | 82% | 0.815 | 56% | 0.559 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 120.3 | 150.4 | -77.1 | -167.4 | -166.4 | -162.7 | 3.7 | 101.8 | R56 P60 | R56-R58 PolarHBondContact O-N 2.95Å; R58-P60 WeakPolarHBondContact O-CD 3.39Å |
| 59 | P | 48.3 | Very low | 63.4 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 67% | 0.669 | 52% | 0.524 | S | S | * | . | P | Polyproline II helix | trans | -50.7 | 124.1 | 167.8 | 23.1 | -31.1 | 0 | 0 | 0 | 105.3 | C61 | P59-C61 PolarHBondContact O-N 3.31Š|
| 60 | P | 55.8 | Low | 65.2 | Low | 94 Ų | 94 | 105.1 Ų | 105.1 | 61% | 0.61 | 51% | 0.513 | S | S | * | . | P | Polyproline II helix | trans | -55.9 | 119.5 | 174.3 | 22.5 | -29.1 | 0 | 0 | 0 | 104.4 | R58 S62 Y136 | R58-P60 WeakPolarHBondContact O-CD 3.39Å; P60-S62 PolarHBondContact O-N 3.15Å; P60-Y136 HydrophobicContact CB-CE2 4.42Å |
| 61 | C | 56.7 | Low | 66.7 | Low | 94 Ų | 94 | 104 Ų | 104 | 64% | 0.635 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -39.5 | 123.4 | 165.1 | -61.5 | 0 | 0 | 0 | 0 | 106 | P59 Y136 | P59-C61 PolarHBondContact O-N 3.31Å; C61-Y136 HydrophobicContact CB-CD2 4.31Å; C61-Y136 WeakPolarHBondContact O-CD2 3.39Å |
| 62 | S | 68.2 | Low | 68.6 | Low | 102 Ų | 102 | 100.8 Ų | 100.8 | 71% | 0.713 | 48% | 0.478 | S | S | * | . | trans | -38.3 | 128 | -162.5 | -51.9 | 0 | 0 | 0 | 0 | 111.3 | P60 S64 | P60-S62 PolarHBondContact O-N 3.15Å; S62-S64 PolarHBondContact O-N 3.31Å | ||
| 63 | P | 76.9 | Confident | 70.4 | Confident | 55 Ų | 55 | 93.2 Ų | 93.2 | 36% | 0.357 | 45% | 0.446 | S | S | . | . | trans | -51.6 | 123.2 | -174.1 | 22.5 | -33.7 | 0 | 0 | 0 | 109.1 | E110 V114 | P63-E110 HydrophobicContact CB-CG 4.19Å; P63-V114 HydrophobicContact CB-CG2 3.63Å | ||
| 64 | S | 84.1 | Confident | 72 | Confident | 4 Ų | 4 | 87.4 Ų | 87.4 | 3% | 0.028 | 43% | 0.43 | C | S | . | . | trans | -122.4 | 140.3 | -179.1 | -177.2 | 0 | 0 | 0 | 0 | 108.9 | S62 V66 A113 Y136 H139 | S62-S64 PolarHBondContact O-N 3.31Å; S64-V66 PolarHBondContact O-N 3.43Å; S64-V66 PolarHBondContact OG-N 2.73Å; S64-A113 VanDerWaalsContact O-CB 3.26Å; S64-A113 WeakPolarHBondContact O-CB 3.41Å; S64-Y136 WeakPolarHBondContact O-CD1 3.02Å; S64-H139 PolarHBondContact OG-O 3.19Å | ||
| 65 | R | 89.3 | Confident | 73.7 | Confident | 107 Ų | 107 | 84.3 Ų | 84.3 | 40% | 0.404 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -65.3 | -21.7 | 173.2 | -64.9 | -179.2 | -176.6 | -167.2 | -2.9 | 112.2 | M107 E110 | R65-M107 PolarHBondContact O-N 3.36Å; R65-E110 HydrophobicContact CG-CB 3.69Å; R65-E110 HydrophobicContact CG-CG 4.04Å |
| 66 | V | 90.4 | Very high | 75.3 | Confident | 0 Ų | 0 | 77.2 Ų | 77.2 | 0% | 0 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.1 | 129.3 | 178 | -174.5 | 0 | 0 | 0 | 0 | 110.1 | S64 F104 L105 E106 S137 H139 R140 L142 | S64-V66 PolarHBondContact O-N 3.43Å; S64-V66 PolarHBondContact OG-N 2.73Å; V66-F104 HydrophobicContact CG1-CB 4.29Å; V66-F104 HydrophobicContact CG1-CD1 4.3Å; V66-L105 CarbonylContact C-O 3.54Å; V66-L105 WeakPolarHBondContact CA-O 3.34Å; V66-E106 HydrophobicContact CG2-CB 4.12Å; V66-E106 HydrophobicContact CG2-CG 3.81Å; V66-S137 WeakPolarHBondContact O-CB 3.46Å; V66-S137 PolarHBondContact O-N 2.52Å; V66-H139 WeakPolarHBondContact CB-O 3.41Å; V66-R140 WeakPolarHBondContact CG2-O 3.42Å; V66-L142 HydrophobicContact CG1-CB 4.38Å; V66-L142 HydrophobicContact CG1-CD1 4.32Å; V66-L142 HydrophobicContact CG2-CB 4.28Å |
| 67 | L | 91.3 | Very high | 77.3 | Confident | 0 Ų | 0 | 69.4 Ų | 69.4 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 135.6 | 177.8 | -57.7 | -178.2 | 0 | 0 | 0 | 109.9 | F104 L105 M107 A113 M116 V117 I134 Q135 Y136 | L67-F104 CarbonylContact O-C 3.52Å; L67-F104 VanDerWaalsContact O-CA 3.22Å; L67-F104 WeakPolarHBondContact O-CA 3.35Å; L67-L105 HydrophobicContact CB-CB 4.45Å; L67-L105 PolarHBondContact N-O 2.82Å; L67-L105 PolarHBondContact O-N 2.75Å; L67-M107 HydrophobicContact CD1-CG 4.31Å; L67-A113 HydrophobicContact CD1-CB 4.36Å; L67-A113 HydrophobicContact CD2-CB 3.95Å; L67-A113 HydrophobicContact CG-CB 4.17Å; L67-M116 HydrophobicContact CD1-CB 3.99Å; L67-M116 HydrophobicContact CD1-CE 4.4Å; L67-M116 HydrophobicContact CD1-CG 3.86Å; L67-M116 HydrophobicContact CD1-SD 3.32Å; L67-M116 WeakPolarHBondContact CD1-SD 3.22Å; L67-V117 HydrophobicContact CD1-CG2 4.39Å; L67-V117 HydrophobicContact CD2-CG2 3.29Å; L67-V117 HydrophobicContact CG-CG2 4.43Å; L67-I134 HydrophobicContact CB-CG2 4.2Å; L67-I134 HydrophobicContact CD1-CG2 4.22Å; L67-Q135 CarbonylContact C-O 3.39Å; L67-Q135 WeakPolarHBondContact CA-O 3.37Å; L67-Y136 HydrophobicContact CD2-CD1 3.93Å; L67-Y136 HydrophobicContact CD2-CE1 4.27Å |
| 68 | H | 91.1 | Very high | 79.4 | Confident | 22 Ų | 22 | 62.5 Ų | 62.5 | 10% | 0.102 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 118.4 | 173.6 | 175 | -154.1 | 0 | 0 | 0 | 109.6 | Q102 F104 I134 Q135 | H68-Q102 PolarHBondContact CE1-NE2 3.02Å; H68-Q102 VanDerWaalsContact CE1-NE2 3.31Å; H68-Q102 PolarHBondContact NE2-NE2 2.99Å; H68-F104 HydrophobicContact CB-CD1 3.95Å; H68-F104 HydrophobicContact CB-CE1 3.74Å; H68-F104 AromaticContact CD2-CE1 3.72Å; H68-F104 AromaticContact CD2-CZ 3.8Å; H68-F104 AromaticContact CG-CE1 3.73Å; H68-I134 WeakPolarHBondContact O-CA 3.31Å; H68-Q135 PolarHBondContact N-O 2.93Å; H68-Q135 PolarHBondContact O-N 3.45Å |
| 69 | L | 90.8 | Very high | 81 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 121.6 | 175.3 | -58.7 | 87.3 | 0 | 0 | 0 | 110 | I72 I81 Q102 A103 L105 V132 Y133 I134 | L69-I72 HydrophobicContact CB-CD1 3.72Å; L69-I72 HydrophobicContact CB-CG1 3.77Å; L69-I72 HydrophobicContact CD2-CD1 4.05Å; L69-I81 HydrophobicContact CD2-CD1 4.21Å; L69-I81 HydrophobicContact CD2-CG2 4.28Å; L69-Q102 WeakPolarHBondContact O-CA 3.32Å; L69-A103 HydrophobicContact CB-CB 4.31Å; L69-A103 PolarHBondContact N-O 2.74Å; L69-A103 PolarHBondContact O-N 3.39Å; L69-L105 HydrophobicContact CD1-CB 3.67Å; L69-V132 HydrophobicContact CB-CG1 4.22Å; L69-V132 HydrophobicContact CD2-CG1 4.25Å; L69-Y133 CarbonylContact C-O 3.54Å; L69-Y133 VanDerWaalsContact CA-O 3.31Å; L69-Y133 WeakPolarHBondContact CA-O 3.26Å; L69-I134 HydrophobicContact CD2-CD1 4.5Å; L69-I134 HydrophobicContact CD2-CG1 4.23Å; L69-I134 HydrophobicContact CG-CG1 4.13Å |
| 70 | R | 89.4 | Confident | 82.9 | Confident | 114 Ų | 114 | 54.2 Ų | 54.2 | 43% | 0.43 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 153.4 | 176.7 | -77.3 | 178.6 | 155.6 | 152.4 | -4.8 | 110.7 | I72 Y133 | R70-I72 VanDerWaalsContact C-N 3.33Å; R70-Y133 PolarHBondContact N-O 3.4Å; R70-Y133 PolarHBondContact O-N 3.38Å |
| 71 | K | 85.4 | Confident | 84.5 | Confident | 136 Ų | 136 | 49.8 Ų | 49.8 | 59% | 0.591 | 27% | 0.27 | S | S | * | . | S | Bend | trans | 62.8 | 40.1 | -178.6 | -61.8 | -73.5 | -172.5 | 172.9 | 0 | 111.9 | P73 S101 Y133 | K71-P73 WeakPolarHBondContact O-CD 3.12Å; K71-S101 PolarHBondContact N-O 3.25Å; K71-Y133 HydrophobicContact CB-CD2 4.47Å; K71-Y133 HydrophobicContact CG-CD2 4.08Å; K71-Y133 HydrophobicContact CG-CE2 4.29Å |
| 72 | I | 86.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 45.3 Ų | 45.3 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | trans | -77.1 | 120.2 | 174.1 | -64.5 | -60.2 | 0 | 0 | 0 | 109.3 | L69 R70 V76 I81 M96 S101 A103 L127 V132 | L69-I72 HydrophobicContact CB-CD1 3.72Å; L69-I72 HydrophobicContact CB-CG1 3.77Å; L69-I72 HydrophobicContact CD2-CD1 4.05Å; R70-I72 VanDerWaalsContact C-N 3.33Å; I72-V76 HydrophobicContact CG2-CB 4.22Å; I72-V76 HydrophobicContact CG2-CG1 4.26Å; I72-I81 HydrophobicContact CD1-CD1 3.87Å; I72-M96 HydrophobicContact CG2-CE 3.82Å; I72-S101 PolarHBondContact N-O 2.98Å; I72-S101 WeakPolarHBondContact O-CA 3.44Å; I72-S101 VanDerWaalsContact O-CB 3.24Å; I72-S101 WeakPolarHBondContact O-CB 3.48Å; I72-A103 HydrophobicContact CG1-CB 3.88Å; I72-L127 HydrophobicContact CD1-CD1 4.08Å; I72-V132 HydrophobicContact CD1-CB 4.33Å; I72-V132 HydrophobicContact CD1-CG1 3.42Å; I72-V132 VanDerWaalsContact CD1-CG1 3.42Å; I72-V132 HydrophobicContact CD1-CG2 3.9Å; I72-V132 HydrophobicContact CG1-CG1 4.49Å | ||
| 73 | P | 83.2 | Confident | 87 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 6% | 0.058 | 23% | 0.225 | C | C | . | . | trans | -60 | 147.3 | 172.8 | -15.5 | 26 | 0 | 0 | 0 | 111.2 | K71 D75 V76 L127 Q130 | K71-P73 WeakPolarHBondContact O-CD 3.12Å; P73-D75 PolarHBondContact O-N 3.29Å; P73-V76 HydrophobicContact CB-CG2 4.08Å; P73-V76 HydrophobicContact CG-CG2 3.83Å; P73-V76 WeakPolarHBondContact O-CB 3.46Å; P73-V76 PolarHBondContact O-N 2.91Å; P73-L127 HydrophobicContact CG-CB 4.47Å; P73-Q130 HydrophobicContact CG-CB 4.01Å | ||
| 74 | C | 78.3 | Confident | 87.6 | Confident | 81 Ų | 81 | 42 Ų | 42 | 55% | 0.547 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -24.3 | 175.1 | 56.9 | 0 | 0 | 0 | 0 | 113.2 | V76 | C74-V76 VanDerWaalsContact C-N 3.26Å; C74-V76 PolarHBondContact O-N 3.42Å |
| 75 | D | 84.6 | Confident | 87.8 | Confident | 101 Ų | 101 | 41.8 Ų | 41.8 | 54% | 0.54 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -11.7 | 177.6 | -58.6 | -45.5 | 0 | 0 | 0 | 113.5 | P73 R128 | P73-D75 PolarHBondContact O-N 3.29Å; D75-R128 IonicContact OD2-NE 3.95Å |
| 76 | V | 85.6 | Confident | 87.8 | Confident | 5 Ų | 5 | 39.4 Ų | 39.4 | 3% | 0.03 | 21% | 0.21 | C | C | . | . | trans | -71.2 | 137.1 | 175.6 | 162.5 | 0 | 0 | 0 | 0 | 109.5 | I72 P73 C74 E80 I81 M96 L127 | I72-V76 HydrophobicContact CG2-CB 4.22Å; I72-V76 HydrophobicContact CG2-CG1 4.26Å; P73-V76 HydrophobicContact CB-CG2 4.08Å; P73-V76 HydrophobicContact CG-CG2 3.83Å; P73-V76 WeakPolarHBondContact O-CB 3.46Å; P73-V76 PolarHBondContact O-N 2.91Å; C74-V76 VanDerWaalsContact C-N 3.26Å; C74-V76 PolarHBondContact O-N 3.42Å; V76-E80 HydrophobicContact CG1-CB 4.22Å; V76-I81 HydrophobicContact CG1-CD1 3.51Å; V76-I81 HydrophobicContact CG1-CG1 3.7Å; V76-M96 HydrophobicContact CB-CE 4.28Å; V76-M96 HydrophobicContact CG1-CE 3.77Å; V76-M96 WeakPolarHBondContact O-CE 3.13Å; V76-L127 HydrophobicContact CG1-CD1 3.99Å; V76-L127 HydrophobicContact CG2-CB 3.76Å; V76-L127 HydrophobicContact CG2-CD1 3.77Å; V76-L127 HydrophobicContact CG2-CG 4.31Å | ||
| 77 | T | 87.9 | Confident | 87.7 | Confident | 59 Ų | 59 | 44.1 Ų | 44.1 | 36% | 0.362 | 24% | 0.24 | S | C | . | . | trans | -97.2 | 160.4 | 175.6 | 68.1 | 0 | 0 | 0 | 0 | 110.6 | A79 E80 I81 | T77-A79 PolarHBondContact O-N 3.29Å; T77-E80 PolarHBondContact O-N 3.04Å; T77-E80 WeakPolarHBondContact OG1-CG 3.28Å; T77-I81 PolarHBondContact O-N 3.36Å | ||
| 78 | E | 88.3 | Confident | 87.5 | Confident | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.028 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -59.2 | -37.2 | 178.9 | -60.8 | 76.3 | -176 | 0 | 0 | 110.9 | E80 I81 I82 L94 M96 K98 R152 A153 A156 | E78-E80 VanDerWaalsContact C-N 3.35Å; E78-E80 PolarHBondContact O-N 3.13Å; E78-I81 PolarHBondContact O-N 3.08Å; E78-I82 WeakPolarHBondContact O-CD1 3.36Å; E78-I82 WeakPolarHBondContact O-CG1 3.19Å; E78-I82 PolarHBondContact O-N 2.95Å; E78-L94 HydrophobicContact CB-CD1 4.26Å; E78-L94 HydrophobicContact CB-CD2 4.33Å; E78-L94 HydrophobicContact CG-CD2 4.08Å; E78-L94 WeakPolarHBondContact O-CD1 3.49Å; E78-M96 HydrophobicContact CB-SD 4.44Å; E78-M96 HydrophobicContact CG-CG 4.24Å; E78-M96 HydrophobicContact CG-SD 3.66Å; E78-K98 IonicContact OE1-NZ 3.72Å; E78-R152 VanDerWaalsContact CD-CD 3.44Å; E78-R152 WeakPolarHBondContact OE1-CD 3.16Å; E78-R152 WeakPolarHBondContact OE2-CD 3.49Å; E78-A153 HydrophobicContact CB-CB 4.49Å; E78-A153 HydrophobicContact CG-CB 4.01Å; E78-A156 HydrophobicContact CB-CB 4.24Å |
| 79 | A | 88.1 | Confident | 87.4 | Confident | 41 Ų | 41 | 46 Ų | 46 | 34% | 0.339 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.4 | -38.4 | 178 | 0 | 0 | 0 | 0 | 0 | 113.1 | T77 I82 S83 | T77-A79 PolarHBondContact O-N 3.29Å; A79-I82 PolarHBondContact O-N 3.48Å; A79-S83 VanDerWaalsContact O-CB 3.28Å; A79-S83 WeakPolarHBondContact O-CB 3.16Å; A79-S83 PolarHBondContact O-N 3.32Å; A79-S83 PolarHBondContact O-OG 2.88Å |
| 80 | E | 88.9 | Confident | 87.4 | Confident | 104 Ų | 104 | 51.9 Ų | 51.9 | 49% | 0.486 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.2 | -43.8 | 177.1 | -63.6 | -67.6 | 136.6 | 0 | 0 | 111.2 | V76 T77 E78 S83 L84 | V76-E80 HydrophobicContact CG1-CB 4.22Å; T77-E80 PolarHBondContact O-N 3.04Å; T77-E80 WeakPolarHBondContact OG1-CG 3.28Å; E78-E80 VanDerWaalsContact C-N 3.35Å; E78-E80 PolarHBondContact O-N 3.13Å; E80-S83 PolarHBondContact O-N 3.36Å; E80-L84 WeakPolarHBondContact O-CG 3.21Å; E80-L84 PolarHBondContact O-N 3.09Å |
| 81 | I | 88.7 | Confident | 87.5 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 177.3 | -57.8 | -56.8 | 0 | 0 | 0 | 111.1 | L69 I72 V76 T77 E78 S83 L84 G85 L94 M96 L105 L127 | L69-I81 HydrophobicContact CD2-CD1 4.21Å; L69-I81 HydrophobicContact CD2-CG2 4.28Å; I72-I81 HydrophobicContact CD1-CD1 3.87Å; V76-I81 HydrophobicContact CG1-CD1 3.51Å; V76-I81 HydrophobicContact CG1-CG1 3.7Å; T77-I81 PolarHBondContact O-N 3.36Å; E78-I81 PolarHBondContact O-N 3.08Å; I81-S83 VanDerWaalsContact C-N 3.32Å; I81-L84 WeakPolarHBondContact O-CB 3.45Å; I81-L84 PolarHBondContact O-N 2.97Å; I81-G85 PolarHBondContact O-N 2.96Å; I81-L94 HydrophobicContact CB-CD1 3.72Å; I81-L94 HydrophobicContact CG2-CD1 3.66Å; I81-L94 HydrophobicContact CG2-CG 4.42Å; I81-M96 HydrophobicContact CG1-CE 4.02Å; I81-L105 HydrophobicContact CG2-CB 4.41Å; I81-L105 HydrophobicContact CG2-CD1 3.97Å; I81-L105 HydrophobicContact CG2-CD2 4.27Å; I81-L105 HydrophobicContact CG2-CG 4.47Å; I81-L127 HydrophobicContact CD1-CD1 3.62Å |
| 82 | I | 89.9 | Confident | 87.6 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.8 | -46.1 | 175.7 | -66.4 | 161.5 | 0 | 0 | 0 | 109.5 | E78 A79 L84 G85 L86 V91 L94 A156 L157 V160 | E78-I82 WeakPolarHBondContact O-CD1 3.36Å; E78-I82 WeakPolarHBondContact O-CG1 3.19Å; E78-I82 PolarHBondContact O-N 2.95Å; A79-I82 PolarHBondContact O-N 3.48Å; I82-L84 VanDerWaalsContact C-N 3.27Å; I82-L84 PolarHBondContact O-N 2.79Å; I82-G85 WeakPolarHBondContact O-CA 3.14Å; I82-G85 PolarHBondContact O-N 2.84Å; I82-L86 HydrophobicContact CG2-CD2 4.38Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.07Å; I82-L86 PolarHBondContact O-N 3.37Å; I82-V91 HydrophobicContact CG1-CG1 4.49Å; I82-V91 HydrophobicContact CG2-CB 4.32Å; I82-V91 HydrophobicContact CG2-CG2 4.24Å; I82-L94 HydrophobicContact CD1-CD1 4.21Å; I82-L94 HydrophobicContact CG1-CD1 3.65Å; I82-A156 HydrophobicContact CD1-CB 3.6Å; I82-L157 HydrophobicContact CD1-CD2 3.64Å; I82-L157 HydrophobicContact CD1-CG 3.8Å; I82-L157 HydrophobicContact CG1-CD2 3.75Å; I82-L157 HydrophobicContact CG1-CG 4.4Å; I82-L157 HydrophobicContact CG2-CD2 4.3Å; I82-V160 HydrophobicContact CG2-CB 4.46Å; I82-V160 HydrophobicContact CG2-CG1 4Å; I82-V160 HydrophobicContact CG2-CG2 3.86Å |
| 83 | S | 88.8 | Confident | 87.8 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 41% | 0.406 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -62.3 | -32.2 | -179.6 | -59.6 | 0 | 0 | 0 | 0 | 113 | A79 E80 I81 G85 P87 | A79-S83 VanDerWaalsContact O-CB 3.28Å; A79-S83 WeakPolarHBondContact O-CB 3.16Å; A79-S83 PolarHBondContact O-N 3.32Å; A79-S83 PolarHBondContact O-OG 2.88Å; E80-S83 PolarHBondContact O-N 3.36Å; I81-S83 VanDerWaalsContact C-N 3.32Å; S83-G85 VanDerWaalsContact C-N 3.3Å; S83-G85 PolarHBondContact O-N 2.97Å; S83-P87 WeakPolarHBondContact O-CD 3.28Å |
| 84 | L | 88 | Confident | 88.1 | Confident | 30 Ų | 30 | 44.6 Ų | 44.6 | 16% | 0.157 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64.5 | -32.5 | 170.8 | -74.7 | 174.9 | 0 | 0 | 0 | 113 | E80 I81 I82 P87 F88 M116 L127 | E80-L84 WeakPolarHBondContact O-CG 3.21Å; E80-L84 PolarHBondContact O-N 3.09Å; I81-L84 WeakPolarHBondContact O-CB 3.45Å; I81-L84 PolarHBondContact O-N 2.97Å; I82-L84 VanDerWaalsContact C-N 3.27Å; I82-L84 PolarHBondContact O-N 2.79Å; L84-P87 WeakPolarHBondContact O-CD 3.43Å; L84-F88 WeakPolarHBondContact O-CD2 3.48Å; L84-F88 WeakPolarHBondContact O-CE2 3.41Å; L84-M116 HydrophobicContact CB-CE 4.17Å; L84-L127 HydrophobicContact CD1-CD1 3.87Å; L84-L127 HydrophobicContact CD1-CD2 3.79Å; L84-L127 HydrophobicContact CD1-CG 4.09Å; L84-L127 HydrophobicContact CG-CD2 4.34Å |
| 85 | G | 88.1 | Confident | 88.5 | Confident | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -82.3 | -32.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | I81 I82 S83 P87 F88 G89 M107 | I81-G85 PolarHBondContact O-N 2.96Å; I82-G85 WeakPolarHBondContact O-CA 3.14Å; I82-G85 PolarHBondContact O-N 2.84Å; S83-G85 VanDerWaalsContact C-N 3.3Å; S83-G85 PolarHBondContact O-N 2.97Å; G85-P87 VanDerWaalsContact C-CD 3.42Å; G85-F88 PolarHBondContact O-N 3.35Å; G85-G89 CarbonylContact C-O 3.54Å; G85-G89 PolarHBondContact O-N 3.26Å; G85-G89 VanDerWaalsContact O-O 3.04Å; G85-M107 WeakPolarHBondContact O-CE 3.44Å |
| 86 | L | 89.5 | Confident | 88.6 | Confident | 57 Ų | 57 | 37.4 Ų | 37.4 | 30% | 0.298 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -48.2 | -43.2 | -179 | -72.6 | -178.4 | 0 | 0 | 0 | 115.8 | I82 F88 G89 | I82-L86 HydrophobicContact CG2-CD2 4.38Å; I82-L86 HydrophobicContact CG2-CG 4.28Å; I82-L86 WeakPolarHBondContact O-CG 3.07Å; I82-L86 PolarHBondContact O-N 3.37Å; L86-F88 PolarHBondContact O-N 3.47Å; L86-G89 WeakPolarHBondContact CA-O 3.39Å; L86-G89 PolarHBondContact O-N 3.21Å |
| 87 | P | 88.8 | Confident | 88.5 | Confident | 98 Ų | 98 | 38.9 Ų | 38.9 | 64% | 0.636 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.7 | 179.3 | 25 | -34.4 | 0 | 0 | 0 | 113.9 | S83 L84 G85 | S83-P87 WeakPolarHBondContact O-CD 3.28Å; L84-P87 WeakPolarHBondContact O-CD 3.43Å; G85-P87 VanDerWaalsContact C-CD 3.42Å |
| 88 | F | 88.3 | Confident | 88 | Confident | 39 Ų | 39 | 40.3 Ų | 40.3 | 17% | 0.171 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | -28.3 | 178.8 | -54.8 | -79.4 | 0 | 0 | 0 | 112.3 | L84 G85 L86 M107 A112 T115 M116 Y119 Y120 | L84-F88 WeakPolarHBondContact O-CD2 3.48Å; L84-F88 WeakPolarHBondContact O-CE2 3.41Å; G85-F88 PolarHBondContact O-N 3.35Å; L86-F88 PolarHBondContact O-N 3.47Å; F88-M107 HydrophobicContact CB-CE 4.32Å; F88-A112 WeakPolarHBondContact O-CB 3.5Å; F88-T115 HydrophobicContact CD1-CG2 3.89Å; F88-T115 HydrophobicContact CE1-CG2 4.42Å; F88-M116 HydrophobicContact CB-CB 4.01Å; F88-M116 HydrophobicContact CD1-CB 4.02Å; F88-M116 HydrophobicContact CD2-CB 3.81Å; F88-M116 HydrophobicContact CD2-CG 3.61Å; F88-M116 HydrophobicContact CD2-SD 4.01Å; F88-M116 HydrophobicContact CE1-CB 4.48Å; F88-M116 HydrophobicContact CE2-CB 4.32Å; F88-M116 HydrophobicContact CE2-CG 3.86Å; F88-M116 HydrophobicContact CG-CB 3.65Å; F88-M116 HydrophobicContact CG-CG 4.02Å; F88-M116 HydrophobicContact CZ-CG 4.43Å; F88-Y119 HydrophobicContact CE1-CD1 4.16Å; F88-Y119 AromaticContact CE1-CG 3.9Å; F88-Y119 HydrophobicContact CE1-CG 3.9Å; F88-Y119 AromaticContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CE1 4.39Å; F88-Y119 AromaticContact CZ-CG 3.9Å; F88-Y119 HydrophobicContact CZ-CG 3.9Å; F88-Y120 HydrophobicContact CD2-CE2 4.35Å; F88-Y120 HydrophobicContact CE2-CD2 4.24Å; F88-Y120 AromaticContact CE2-CE2 3.34Å; F88-Y120 HydrophobicContact CE2-CE2 3.34Å; F88-Y120 AromaticContact CE2-CZ 3.8Å; F88-Y120 HydrophobicContact CZ-CD2 4.25Å; F88-Y120 AromaticContact CZ-CE2 3.64Å; F88-Y120 HydrophobicContact CZ-CE2 3.64Å; F88-Y120 AromaticContact CZ-CZ 3.97Å |
| 89 | G | 88.8 | Confident | 87.5 | Confident | 23 Ų | 23 | 43.9 Ų | 43.9 | 24% | 0.237 | 26% | 0.261 | C | S | . | . | trans | 167.8 | -179.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | G85 L86 M107 | G85-G89 CarbonylContact C-O 3.54Å; G85-G89 PolarHBondContact O-N 3.26Å; G85-G89 VanDerWaalsContact O-O 3.04Å; L86-G89 WeakPolarHBondContact CA-O 3.39Å; L86-G89 PolarHBondContact O-N 3.21Å; G89-M107 WeakPolarHBondContact O-CE 3.26Å | ||
| 90 | K | 90.2 | Very high | 87.2 | Confident | 124 Ų | 124 | 49 Ų | 49 | 54% | 0.539 | 28% | 0.276 | S | S | . | . | trans | -69.1 | 134.7 | 176.5 | -176.9 | 173.3 | -178.2 | 176.3 | 0 | 110.4 | A108 | K90-A108 HydrophobicContact CB-CB 3.94Å; K90-A108 HydrophobicContact CG-CB 4.43Å; K90-A108 VanDerWaalsContact O-CB 3.3Å; K90-A108 WeakPolarHBondContact O-CB 3.44Å; K90-A108 PolarHBondContact O-N 3.37Å | ||
| 91 | V | 90.4 | Very high | 87.1 | Confident | 9 Ų | 9 | 46.8 Ų | 46.8 | 6% | 0.055 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 130.7 | 172.3 | -178.9 | 0 | 0 | 0 | 0 | 109.1 | I82 L105 E106 M107 L157 | I82-V91 HydrophobicContact CG1-CG1 4.49Å; I82-V91 HydrophobicContact CG2-CB 4.32Å; I82-V91 HydrophobicContact CG2-CG2 4.24Å; V91-L105 HydrophobicContact CB-CD1 4.27Å; V91-L105 HydrophobicContact CG1-CD1 3.24Å; V91-L105 HydrophobicContact CG1-CG 4.17Å; V91-L105 HydrophobicContact CG2-CD1 3.99Å; V91-L105 HydrophobicContact CG2-CD2 4.48Å; V91-L105 HydrophobicContact CG2-CG 4.45Å; V91-E106 WeakPolarHBondContact CA-O 3.36Å; V91-E106 WeakPolarHBondContact CG1-O 3.46Å; V91-M107 HydrophobicContact CG2-CE 4.44Å; V91-M107 HydrophobicContact CG2-SD 4Å; V91-L157 HydrophobicContact CB-CD2 3.89Å; V91-L157 HydrophobicContact CG1-CD2 3.54Å |
| 92 | T | 89.2 | Confident | 87.1 | Confident | 52 Ų | 52 | 49 Ų | 49 | 32% | 0.319 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | -40.8 | 179 | 47.1 | 0 | 0 | 0 | 0 | 112.7 | E106 A108 | T92-E106 PolarHBondContact N-O 3.42Å; T92-E106 WeakPolarHBondContact OG1-CG 3.34Å; T92-E106 PolarHBondContact OG1-O 2.89Å; T92-E106 PolarHBondContact OG1-OE1 2.78Å; T92-A108 HydrophobicContact CG2-CB 3.69Å |
| 93 | N | 90.1 | Very high | 87.1 | Confident | 47 Ų | 47 | 49 Ų | 49 | 25% | 0.251 | 28% | 0.282 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 153.2 | -178.1 | -71.2 | -69.3 | 0 | 0 | 0 | 111.6 | E106 L142 | N93-E106 HydrophobicContact CB-CB 3.74Å; N93-E106 HydrophobicContact CB-CG 4.47Å; N93-E106 PolarHBondContact N-O 2.86Å; N93-E106 PolarHBondContact ND2-OE1 3.22Å; N93-E106 PolarHBondContact O-N 2.71Å; N93-L142 HydrophobicContact CB-CB 4.3Å; N93-L142 HydrophobicContact CB-CD2 4.28Å |
| 94 | L | 89.1 | Confident | 87.2 | Confident | 3 Ų | 3 | 48 Ų | 48 | 2% | 0.016 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.3 | 140.1 | 176.2 | -178.9 | 160.8 | 0 | 0 | 0 | 110.3 | E78 I81 I82 M96 F104 L105 A153 L157 | E78-L94 HydrophobicContact CB-CD1 4.26Å; E78-L94 HydrophobicContact CB-CD2 4.33Å; E78-L94 HydrophobicContact CG-CD2 4.08Å; E78-L94 WeakPolarHBondContact O-CD1 3.49Å; I81-L94 HydrophobicContact CB-CD1 3.72Å; I81-L94 HydrophobicContact CG2-CD1 3.66Å; I81-L94 HydrophobicContact CG2-CG 4.42Å; I82-L94 HydrophobicContact CD1-CD1 4.21Å; I82-L94 HydrophobicContact CG1-CD1 3.65Å; L94-M96 HydrophobicContact CD2-CG 3.56Å; L94-F104 WeakPolarHBondContact CA-O 3.35Å; L94-L105 HydrophobicContact CB-CD1 4.34Å; L94-L105 HydrophobicContact CD1-CD1 4.19Å; L94-L105 HydrophobicContact CG-CD1 4.41Å; L94-A153 HydrophobicContact CB-CB 4.29Å; L94-A153 HydrophobicContact CD2-CB 3.73Å; L94-L157 HydrophobicContact CB-CD1 4.39Å |
| 95 | L | 87.2 | Confident | 87.4 | Confident | 24 Ų | 24 | 46.5 Ų | 46.5 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 117.7 | 174.5 | -177.9 | 67.2 | 0 | 0 | 0 | 109.7 | L97 A103 F104 L142 T144 L147 | L95-L97 HydrophobicContact CD2-CD1 4.04Å; L95-L97 HydrophobicContact CG-CD1 3.98Å; L95-A103 CarbonylContact O-C 3.47Å; L95-A103 VanDerWaalsContact O-CA 3.26Å; L95-A103 WeakPolarHBondContact O-CA 3.46Å; L95-F104 HydrophobicContact CB-CB 4.31Å; L95-F104 HydrophobicContact CD2-CD2 4.3Å; L95-F104 PolarHBondContact N-O 2.7Å; L95-F104 PolarHBondContact O-N 2.86Å; L95-L142 HydrophobicContact CB-CD1 3.96Å; L95-L142 HydrophobicContact CB-CD2 3.61Å; L95-L142 HydrophobicContact CB-CG 3.94Å; L95-L142 HydrophobicContact CD2-CD1 3.95Å; L95-T144 HydrophobicContact CB-CG2 4.4Å; L95-L147 HydrophobicContact CD1-CB 4.44Å; L95-L147 HydrophobicContact CD1-CD2 3.92Å |
| 96 | M | 86.4 | Confident | 87.6 | Confident | 6 Ų | 6 | 47.7 Ų | 47.7 | 3% | 0.03 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 139.3 | 171.1 | -60.6 | -168.7 | 93.9 | 0 | 0 | 110.3 | I72 V76 E78 I81 L94 A103 N149 | I72-M96 HydrophobicContact CG2-CE 3.82Å; V76-M96 HydrophobicContact CB-CE 4.28Å; V76-M96 HydrophobicContact CG1-CE 3.77Å; V76-M96 WeakPolarHBondContact O-CE 3.13Å; E78-M96 HydrophobicContact CB-SD 4.44Å; E78-M96 HydrophobicContact CG-CG 4.24Å; E78-M96 HydrophobicContact CG-SD 3.66Å; I81-M96 HydrophobicContact CG1-CE 4.02Å; L94-M96 HydrophobicContact CD2-CG 3.56Å; M96-A103 HydrophobicContact CG-CB 4.4Å; M96-N149 PolarHBondContact O-ND2 3.42Å |
| 97 | L | 85 | Confident | 87.7 | Confident | 37 Ų | 37 | 45 Ų | 45 | 19% | 0.194 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 81.5 | 171.4 | -71.3 | 79.8 | 0 | 0 | 0 | 108.2 | L95 G99 K100 S101 Q102 F104 | L95-L97 HydrophobicContact CD2-CD1 4.04Å; L95-L97 HydrophobicContact CG-CD1 3.98Å; L97-G99 PolarHBondContact O-N 2.96Å; L97-K100 HydrophobicContact CB-CB 4.2Å; L97-K100 HydrophobicContact CD2-CD 4.1Å; L97-K100 PolarHBondContact O-N 3.29Å; L97-S101 PolarHBondContact O-N 2.92Å; L97-Q102 WeakPolarHBondContact CA-O 3.47Å; L97-Q102 HydrophobicContact CB-CB 4.18Å; L97-Q102 WeakPolarHBondContact CB-O 3.37Å; L97-Q102 PolarHBondContact N-O 3.45Å; L97-Q102 PolarHBondContact O-N 2.96Å; L97-F104 HydrophobicContact CD1-CD2 3.53Å; L97-F104 HydrophobicContact CD1-CE2 3.58Å; L97-F104 HydrophobicContact CD2-CE2 4.41Å |
| 98 | K | 76.8 | Confident | 87.8 | Confident | 88 Ų | 88 | 42.5 Ų | 42.5 | 38% | 0.383 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -29.9 | -179.6 | -79 | -177 | 163.7 | 147.9 | 0 | 113.4 | E78 | E78-K98 IonicContact OE1-NZ 3.72Š|
| 99 | G | 78.4 | Confident | 87.8 | Confident | 82 Ų | 82 | 42.5 Ų | 42.5 | 85% | 0.845 | 25% | 0.247 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.8 | -13 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L97 | L97-G99 PolarHBondContact O-N 2.96Š|
| 100 | K | 81 | Confident | 87.9 | Confident | 147 Ų | 147 | 43.5 Ų | 43.5 | 64% | 0.639 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -122.7 | 3.1 | -177.8 | -66.9 | -176.4 | 175.3 | 176.1 | 0 | 113.6 | L97 Q102 | L97-K100 HydrophobicContact CB-CB 4.2Å; L97-K100 HydrophobicContact CD2-CD 4.1Å; L97-K100 PolarHBondContact O-N 3.29Å; K100-Q102 HydrophobicContact CB-CG 4.38Å; K100-Q102 WeakPolarHBondContact O-CG 3.24Å; K100-Q102 PolarHBondContact O-N 3.2Å |
| 101 | S | 86.4 | Confident | 87.8 | Confident | 59 Ų | 59 | 43.7 Ų | 43.7 | 41% | 0.413 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 51.8 | 40.8 | -175.4 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | K71 I72 L97 | K71-S101 PolarHBondContact N-O 3.25Å; I72-S101 PolarHBondContact N-O 2.98Å; I72-S101 WeakPolarHBondContact O-CA 3.44Å; I72-S101 VanDerWaalsContact O-CB 3.24Å; I72-S101 WeakPolarHBondContact O-CB 3.48Å; L97-S101 PolarHBondContact O-N 2.92Å |
| 102 | Q | 89.6 | Confident | 87.9 | Confident | 46 Ų | 46 | 43.6 Ų | 43.6 | 22% | 0.215 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 152.5 | -179.8 | -71.4 | 174.7 | -63.7 | 0 | 0 | 109.2 | H68 L69 L97 K100 | H68-Q102 PolarHBondContact CE1-NE2 3.02Å; H68-Q102 VanDerWaalsContact CE1-NE2 3.31Å; H68-Q102 PolarHBondContact NE2-NE2 2.99Å; L69-Q102 WeakPolarHBondContact O-CA 3.32Å; L97-Q102 WeakPolarHBondContact CA-O 3.47Å; L97-Q102 HydrophobicContact CB-CB 4.18Å; L97-Q102 WeakPolarHBondContact CB-O 3.37Å; L97-Q102 PolarHBondContact N-O 3.45Å; L97-Q102 PolarHBondContact O-N 2.96Å; K100-Q102 HydrophobicContact CB-CG 4.38Å; K100-Q102 WeakPolarHBondContact O-CG 3.24Å; K100-Q102 PolarHBondContact O-N 3.2Å |
| 103 | A | 89.8 | Confident | 87.9 | Confident | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.6 | 158.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110 | L69 I72 L95 M96 | L69-A103 HydrophobicContact CB-CB 4.31Å; L69-A103 PolarHBondContact N-O 2.74Å; L69-A103 PolarHBondContact O-N 3.39Å; I72-A103 HydrophobicContact CG1-CB 3.88Å; L95-A103 CarbonylContact O-C 3.47Å; L95-A103 VanDerWaalsContact O-CA 3.26Å; L95-A103 WeakPolarHBondContact O-CA 3.46Å; M96-A103 HydrophobicContact CG-CB 4.4Å |
| 104 | F | 90.8 | Very high | 87.9 | Confident | 36 Ų | 36 | 40.7 Ų | 40.7 | 16% | 0.158 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 138.4 | 171.5 | -64.1 | -90.9 | 0 | 0 | 0 | 108.9 | V66 L67 H68 L94 L95 L97 L142 | V66-F104 HydrophobicContact CG1-CB 4.29Å; V66-F104 HydrophobicContact CG1-CD1 4.3Å; L67-F104 CarbonylContact O-C 3.52Å; L67-F104 VanDerWaalsContact O-CA 3.22Å; L67-F104 WeakPolarHBondContact O-CA 3.35Å; H68-F104 HydrophobicContact CB-CD1 3.95Å; H68-F104 HydrophobicContact CB-CE1 3.74Å; H68-F104 AromaticContact CD2-CE1 3.72Å; H68-F104 AromaticContact CD2-CZ 3.8Å; H68-F104 AromaticContact CG-CE1 3.73Å; L94-F104 WeakPolarHBondContact CA-O 3.35Å; L95-F104 HydrophobicContact CB-CB 4.31Å; L95-F104 HydrophobicContact CD2-CD2 4.3Å; L95-F104 PolarHBondContact N-O 2.7Å; L95-F104 PolarHBondContact O-N 2.86Å; L97-F104 HydrophobicContact CD1-CD2 3.53Å; L97-F104 HydrophobicContact CD1-CE2 3.58Å; L97-F104 HydrophobicContact CD2-CE2 4.41Å; F104-L142 HydrophobicContact CB-CD1 3.37Å; F104-L142 HydrophobicContact CB-CD2 3.76Å; F104-L142 HydrophobicContact CB-CG 4.21Å; F104-L142 HydrophobicContact CD1-CD1 4.47Å; F104-L142 HydrophobicContact CD2-CD1 4.38Å; F104-L142 HydrophobicContact CG-CD1 3.86Å |
| 105 | L | 91.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.8 | -177.6 | -175.2 | 65 | 0 | 0 | 0 | 108.7 | V66 L67 L69 I81 V91 L94 M107 M116 | V66-L105 CarbonylContact C-O 3.54Å; V66-L105 WeakPolarHBondContact CA-O 3.34Å; L67-L105 HydrophobicContact CB-CB 4.45Å; L67-L105 PolarHBondContact N-O 2.82Å; L67-L105 PolarHBondContact O-N 2.75Å; L69-L105 HydrophobicContact CD1-CB 3.67Å; I81-L105 HydrophobicContact CG2-CB 4.41Å; I81-L105 HydrophobicContact CG2-CD1 3.97Å; I81-L105 HydrophobicContact CG2-CD2 4.27Å; I81-L105 HydrophobicContact CG2-CG 4.47Å; V91-L105 HydrophobicContact CB-CD1 4.27Å; V91-L105 HydrophobicContact CG1-CD1 3.24Å; V91-L105 HydrophobicContact CG1-CG 4.17Å; V91-L105 HydrophobicContact CG2-CD1 3.99Å; V91-L105 HydrophobicContact CG2-CD2 4.48Å; V91-L105 HydrophobicContact CG2-CG 4.45Å; L94-L105 HydrophobicContact CB-CD1 4.34Å; L94-L105 HydrophobicContact CD1-CD1 4.19Å; L94-L105 HydrophobicContact CG-CD1 4.41Å; L105-M107 HydrophobicContact CD2-SD 4.1Å; L105-M107 HydrophobicContact CG-SD 4.23Å; L105-M116 HydrophobicContact CD2-CE 3.89Å; L105-M116 HydrophobicContact CD2-SD 4.18Å |
| 106 | E | 91.4 | Very high | 88 | Confident | 24 Ų | 24 | 43.1 Ų | 43.1 | 11% | 0.112 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 126.9 | 176.4 | -169.5 | -175.7 | 108.4 | 0 | 0 | 110.2 | V66 V91 T92 N93 L142 | V66-E106 HydrophobicContact CG2-CB 4.12Å; V66-E106 HydrophobicContact CG2-CG 3.81Å; V91-E106 WeakPolarHBondContact CA-O 3.36Å; V91-E106 WeakPolarHBondContact CG1-O 3.46Å; T92-E106 PolarHBondContact N-O 3.42Å; T92-E106 WeakPolarHBondContact OG1-CG 3.34Å; T92-E106 PolarHBondContact OG1-O 2.89Å; T92-E106 PolarHBondContact OG1-OE1 2.78Å; N93-E106 HydrophobicContact CB-CB 3.74Å; N93-E106 HydrophobicContact CB-CG 4.47Å; N93-E106 PolarHBondContact N-O 2.86Å; N93-E106 PolarHBondContact ND2-OE1 3.22Å; N93-E106 PolarHBondContact O-N 2.71Å; E106-L142 HydrophobicContact CB-CB 4.36Å; E106-L142 WeakPolarHBondContact OE2-CB 3.41Å; E106-L142 PolarHBondContact OE2-N 3.27Å |
| 107 | M | 91.9 | Very high | 88.1 | Confident | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 147.6 | 176 | -55.6 | -57.6 | -69.9 | 0 | 0 | 110.2 | R65 L67 G85 F88 G89 V91 L105 S109 A112 A113 M116 | R65-M107 PolarHBondContact O-N 3.36Å; L67-M107 HydrophobicContact CD1-CG 4.31Å; G85-M107 WeakPolarHBondContact O-CE 3.44Å; F88-M107 HydrophobicContact CB-CE 4.32Å; G89-M107 WeakPolarHBondContact O-CE 3.26Å; V91-M107 HydrophobicContact CG2-CE 4.44Å; V91-M107 HydrophobicContact CG2-SD 4Å; L105-M107 HydrophobicContact CD2-SD 4.1Å; L105-M107 HydrophobicContact CG-SD 4.23Å; M107-S109 WeakPolarHBondContact CB-O 3.49Å; M107-S109 PolarHBondContact O-N 2.98Å; M107-A112 HydrophobicContact CB-CB 4.24Å; M107-A112 HydrophobicContact CE-CB 3.95Å; M107-A113 HydrophobicContact CB-CB 4.11Å; M107-A113 HydrophobicContact CG-CB 3.85Å; M107-M116 HydrophobicContact SD-SD 4.36Å |
| 108 | A | 90.6 | Very high | 88.3 | Confident | 44 Ų | 44 | 46.1 Ų | 46.1 | 36% | 0.364 | 27% | 0.265 | S | S | . | . | S | Bend | trans | -61.4 | -29.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | K90 T92 | K90-A108 HydrophobicContact CB-CB 3.94Å; K90-A108 HydrophobicContact CG-CB 4.43Å; K90-A108 VanDerWaalsContact O-CB 3.3Å; K90-A108 WeakPolarHBondContact O-CB 3.44Å; K90-A108 PolarHBondContact O-N 3.37Å; T92-A108 HydrophobicContact CG2-CB 3.69Å |
| 109 | S | 89.9 | Confident | 88.9 | Confident | 40 Ų | 40 | 47.6 Ų | 47.6 | 28% | 0.28 | 27% | 0.269 | S | S | . | . | S | Bend | trans | -128.7 | 146.6 | -177.3 | 136.8 | 0 | 0 | 0 | 0 | 110 | M107 E111 A112 A113 | M107-S109 WeakPolarHBondContact CB-O 3.49Å; M107-S109 PolarHBondContact O-N 2.98Å; S109-E111 VanDerWaalsContact C-N 3.34Å; S109-E111 WeakPolarHBondContact CB-OE2 3.45Å; S109-E111 PolarHBondContact OG-N 3.48Å; S109-E111 PolarHBondContact OG-OE2 3.31Å; S109-A112 PolarHBondContact OG-N 3.28Å; S109-A113 PolarHBondContact O-N 3.42Å |
| 110 | E | 89.1 | Confident | 89.2 | Confident | 44 Ų | 44 | 45.2 Ų | 45.2 | 21% | 0.206 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -71.3 | -36.7 | 179.7 | -165.2 | 173.1 | 109.1 | 0 | 0 | 110.6 | P63 R65 A112 A113 V114 R140 | P63-E110 HydrophobicContact CB-CG 4.19Å; R65-E110 HydrophobicContact CG-CB 3.69Å; R65-E110 HydrophobicContact CG-CG 4.04Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 2.9Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 2.94Å; E110-A113 VanDerWaalsContact O-N 3.11Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.44Å; E110-V114 PolarHBondContact O-N 3.04Å; E110-R140 IonicContact OE2-NH2 3.37Å; E110-R140 PolarHBondContact OE2-NH2 3.33Å |
| 111 | E | 89.8 | Confident | 89.3 | Confident | 127 Ų | 127 | 42.4 Ų | 42.4 | 59% | 0.593 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -59.3 | -40 | 176.2 | -55.8 | 79.7 | -178.6 | 0 | 0 | 111.6 | S109 V114 T115 | S109-E111 VanDerWaalsContact C-N 3.34Å; S109-E111 WeakPolarHBondContact CB-OE2 3.45Å; S109-E111 PolarHBondContact OG-N 3.48Å; S109-E111 PolarHBondContact OG-OE2 3.31Å; E111-V114 PolarHBondContact O-N 3.24Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 2.77Å |
| 112 | A | 90.9 | Very high | 89.1 | Confident | 7 Ų | 7 | 43.6 Ų | 43.6 | 6% | 0.058 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.9 | -45.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | F88 M107 S109 E110 V114 T115 M116 | F88-A112 WeakPolarHBondContact O-CB 3.5Å; M107-A112 HydrophobicContact CB-CB 4.24Å; M107-A112 HydrophobicContact CE-CB 3.95Å; S109-A112 PolarHBondContact OG-N 3.28Å; E110-A112 VanDerWaalsContact C-N 3.29Å; E110-A112 PolarHBondContact O-N 2.9Å; A112-V114 PolarHBondContact O-N 3.39Å; A112-T115 PolarHBondContact O-N 3.24Å; A112-M116 WeakPolarHBondContact O-CB 3.38Å; A112-M116 PolarHBondContact O-N 2.73Å |
| 113 | A | 90.3 | Very high | 88.5 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.4 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | S64 L67 M107 S109 E110 M116 V117 | S64-A113 VanDerWaalsContact O-CB 3.26Å; S64-A113 WeakPolarHBondContact O-CB 3.41Å; L67-A113 HydrophobicContact CD1-CB 4.36Å; L67-A113 HydrophobicContact CD2-CB 3.95Å; L67-A113 HydrophobicContact CG-CB 4.17Å; M107-A113 HydrophobicContact CB-CB 4.11Å; M107-A113 HydrophobicContact CG-CB 3.85Å; S109-A113 PolarHBondContact O-N 3.42Å; E110-A113 WeakPolarHBondContact O-CB 3.38Å; E110-A113 PolarHBondContact O-N 2.94Å; E110-A113 VanDerWaalsContact O-N 3.11Å; A113-M116 PolarHBondContact O-N 2.86Å; A113-V117 WeakPolarHBondContact O-CG2 3.41Å; A113-V117 PolarHBondContact O-N 3.49Å |
| 114 | V | 89.1 | Confident | 88.1 | Confident | 39 Ų | 39 | 47.4 Ų | 47.4 | 24% | 0.236 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 177.5 | 172.3 | 0 | 0 | 0 | 0 | 111.4 | P63 E110 E111 A112 M116 V117 N118 Y136 | P63-V114 HydrophobicContact CB-CG2 3.63Å; E110-V114 VanDerWaalsContact O-CG2 3.29Å; E110-V114 WeakPolarHBondContact O-CG2 3.44Å; E110-V114 PolarHBondContact O-N 3.04Å; E111-V114 PolarHBondContact O-N 3.24Å; A112-V114 PolarHBondContact O-N 3.39Å; V114-M116 VanDerWaalsContact C-N 3.32Å; V114-M116 PolarHBondContact O-N 2.79Å; V114-V117 PolarHBondContact O-N 3.27Å; V114-N118 WeakPolarHBondContact O-CB 3.3Å; V114-N118 VanDerWaalsContact O-CG 3.3Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 2.91Å; V114-Y136 VanDerWaalsContact CA-OH 3.29Å; V114-Y136 WeakPolarHBondContact CA-OH 3.21Å; V114-Y136 HydrophobicContact CG2-CE1 4.28Å; V114-Y136 WeakPolarHBondContact CG2-OH 3.42Å |
| 115 | T | 89.6 | Confident | 87.6 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -61.1 | -42.8 | 178.8 | -54.5 | 0 | 0 | 0 | 0 | 111.2 | F88 E111 A112 N118 Y119 | F88-T115 HydrophobicContact CD1-CG2 3.89Å; F88-T115 HydrophobicContact CE1-CG2 4.42Å; E111-T115 WeakPolarHBondContact O-CB 3.42Å; E111-T115 PolarHBondContact O-N 2.89Å; E111-T115 PolarHBondContact O-OG1 2.77Å; A112-T115 PolarHBondContact O-N 3.24Å; T115-N118 PolarHBondContact O-N 2.86Å; T115-Y119 WeakPolarHBondContact O-CB 3.4Å; T115-Y119 PolarHBondContact O-N 2.88Å |
| 116 | M | 90.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.4 | -47.3 | 178.3 | -173.3 | 171.8 | -177 | 0 | 0 | 112.3 | L67 L84 F88 L105 M107 A112 A113 V114 Y119 Y120 I134 | L67-M116 HydrophobicContact CD1-CB 3.99Å; L67-M116 HydrophobicContact CD1-CE 4.4Å; L67-M116 HydrophobicContact CD1-CG 3.86Å; L67-M116 HydrophobicContact CD1-SD 3.32Å; L67-M116 WeakPolarHBondContact CD1-SD 3.22Å; L84-M116 HydrophobicContact CB-CE 4.17Å; F88-M116 HydrophobicContact CB-CB 4.01Å; F88-M116 HydrophobicContact CD1-CB 4.02Å; F88-M116 HydrophobicContact CD2-CB 3.81Å; F88-M116 HydrophobicContact CD2-CG 3.61Å; F88-M116 HydrophobicContact CD2-SD 4.01Å; F88-M116 HydrophobicContact CE1-CB 4.48Å; F88-M116 HydrophobicContact CE2-CB 4.32Å; F88-M116 HydrophobicContact CE2-CG 3.86Å; F88-M116 HydrophobicContact CG-CB 3.65Å; F88-M116 HydrophobicContact CG-CG 4.02Å; F88-M116 HydrophobicContact CZ-CG 4.43Å; L105-M116 HydrophobicContact CD2-CE 3.89Å; L105-M116 HydrophobicContact CD2-SD 4.18Å; M107-M116 HydrophobicContact SD-SD 4.36Å; A112-M116 WeakPolarHBondContact O-CB 3.38Å; A112-M116 PolarHBondContact O-N 2.73Å; A113-M116 PolarHBondContact O-N 2.86Å; V114-M116 VanDerWaalsContact C-N 3.32Å; V114-M116 PolarHBondContact O-N 2.79Å; M116-Y119 PolarHBondContact O-N 2.91Å; M116-Y120 HydrophobicContact CE-CD2 4.29Å; M116-Y120 HydrophobicContact CE-CE2 3.89Å; M116-Y120 HydrophobicContact CG-CD2 3.67Å; M116-Y120 HydrophobicContact CG-CE2 3.78Å; M116-Y120 VanDerWaalsContact O-CD2 3.25Å; M116-Y120 WeakPolarHBondContact O-CD2 3.3Å; M116-Y120 PolarHBondContact O-N 3.03Å; M116-I134 HydrophobicContact CE-CD1 4.08Å |
| 117 | V | 88.3 | Confident | 86.7 | Confident | 10 Ų | 10 | 51.6 Ų | 51.6 | 6% | 0.061 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -65.9 | -39.7 | 178.2 | 175 | 0 | 0 | 0 | 0 | 111.4 | L67 A113 V114 Y119 Y120 T121 I134 Y136 | L67-V117 HydrophobicContact CD1-CG2 4.39Å; L67-V117 HydrophobicContact CD2-CG2 3.29Å; L67-V117 HydrophobicContact CG-CG2 4.43Å; A113-V117 WeakPolarHBondContact O-CG2 3.41Å; A113-V117 PolarHBondContact O-N 3.49Å; V114-V117 PolarHBondContact O-N 3.27Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; V117-Y119 PolarHBondContact O-N 2.88Å; V117-Y120 PolarHBondContact O-N 3.23Å; V117-T121 WeakPolarHBondContact O-CB 3.41Å; V117-T121 PolarHBondContact O-N 3.27Å; V117-T121 PolarHBondContact O-OG1 2.91Å; V117-I134 HydrophobicContact CG2-CG2 4.23Å; V117-Y136 HydrophobicContact CB-CE1 4.34Å; V117-Y136 HydrophobicContact CB-CE2 4.32Å; V117-Y136 HydrophobicContact CG1-CD2 4.4Å; V117-Y136 HydrophobicContact CG1-CE2 3.92Å; V117-Y136 HydrophobicContact CG2-CD1 4.17Å; V117-Y136 HydrophobicContact CG2-CE1 3.9Å; V117-Y136 HydrophobicContact CG2-CE2 4.44Å |
| 118 | N | 88.9 | Confident | 86.1 | Confident | 96 Ų | 96 | 59.7 Ų | 59.7 | 51% | 0.513 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.7 | -36.9 | 178.1 | -77.3 | -17.7 | 0 | 0 | 0 | 112.2 | V114 T115 P122 | V114-N118 WeakPolarHBondContact O-CB 3.3Å; V114-N118 VanDerWaalsContact O-CG 3.3Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 2.91Å; T115-N118 PolarHBondContact O-N 2.86Å; N118-P122 WeakPolarHBondContact O-CD 3.25Å |
| 119 | Y | 88.3 | Confident | 85.5 | Confident | 118 Ų | 118 | 63.1 Ų | 63.1 | 46% | 0.463 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -71.5 | -44.2 | 176.9 | -175.3 | -93.5 | 0 | 0 | 0 | 112.2 | F88 T115 M116 V117 P122 I123 | F88-Y119 HydrophobicContact CE1-CD1 4.16Å; F88-Y119 AromaticContact CE1-CG 3.9Å; F88-Y119 HydrophobicContact CE1-CG 3.9Å; F88-Y119 AromaticContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CD1 3.67Å; F88-Y119 HydrophobicContact CZ-CE1 4.39Å; F88-Y119 AromaticContact CZ-CG 3.9Å; F88-Y119 HydrophobicContact CZ-CG 3.9Å; T115-Y119 WeakPolarHBondContact O-CB 3.4Å; T115-Y119 PolarHBondContact O-N 2.88Å; M116-Y119 PolarHBondContact O-N 2.91Å; V117-Y119 VanDerWaalsContact C-N 3.33Å; V117-Y119 PolarHBondContact O-N 2.88Å; Y119-P122 VanDerWaalsContact O-CD 3.27Å; Y119-P122 WeakPolarHBondContact O-CD 3.38Å; Y119-I123 HydrophobicContact CD2-CD1 4.41Å; Y119-I123 HydrophobicContact CE1-CD1 4.12Å; Y119-I123 HydrophobicContact CE2-CD1 3.93Å |
| 120 | Y | 85.7 | Confident | 85.2 | Confident | 32 Ų | 32 | 65.8 Ų | 65.8 | 13% | 0.125 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -86.5 | -5.4 | -178 | -67.7 | -58 | 0 | 0 | 0 | 114.8 | F88 M116 V117 I123 P125 I134 | F88-Y120 HydrophobicContact CD2-CE2 4.35Å; F88-Y120 HydrophobicContact CE2-CD2 4.24Å; F88-Y120 AromaticContact CE2-CE2 3.34Å; F88-Y120 HydrophobicContact CE2-CE2 3.34Å; F88-Y120 AromaticContact CE2-CZ 3.8Å; F88-Y120 HydrophobicContact CZ-CD2 4.25Å; F88-Y120 AromaticContact CZ-CE2 3.64Å; F88-Y120 HydrophobicContact CZ-CE2 3.64Å; F88-Y120 AromaticContact CZ-CZ 3.97Å; M116-Y120 HydrophobicContact CE-CD2 4.29Å; M116-Y120 HydrophobicContact CE-CE2 3.89Å; M116-Y120 HydrophobicContact CG-CD2 3.67Å; M116-Y120 HydrophobicContact CG-CE2 3.78Å; M116-Y120 VanDerWaalsContact O-CD2 3.25Å; M116-Y120 WeakPolarHBondContact O-CD2 3.3Å; M116-Y120 PolarHBondContact O-N 3.03Å; V117-Y120 PolarHBondContact O-N 3.23Å; Y120-I123 CarbonylContact C-O 3.53Å; Y120-I123 WeakPolarHBondContact CA-O 3.32Å; Y120-I123 WeakPolarHBondContact CD1-O 3.45Å; Y120-I123 CarbonylContact O-C 3.57Å; Y120-P125 HydrophobicContact CD1-CB 3.87Å; Y120-P125 HydrophobicContact CD1-CG 3.66Å; Y120-P125 HydrophobicContact CE1-CB 3.7Å; Y120-P125 HydrophobicContact CE1-CG 3.97Å; Y120-P125 HydrophobicContact CG-CG 4.07Å; Y120-I134 HydrophobicContact CD2-CD1 3.34Å; Y120-I134 HydrophobicContact CE2-CD1 3.93Å; Y120-I134 HydrophobicContact CG-CD1 3.66Å |
| 121 | T | 82.9 | Confident | 85.1 | Confident | 89 Ų | 89 | 66.1 Ų | 66.1 | 55% | 0.546 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -52.9 | 170 | -86.8 | 0 | 0 | 0 | 0 | 112.4 | V117 | V117-T121 WeakPolarHBondContact O-CB 3.41Å; V117-T121 PolarHBondContact O-N 3.27Å; V117-T121 PolarHBondContact O-OG1 2.91Å |
| 122 | P | 81 | Confident | 85 | Confident | 83 Ų | 83 | 60.1 Ų | 60.1 | 54% | 0.539 | 32% | 0.318 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.4 | -26.9 | 174.9 | 30.8 | -34.1 | 0 | 0 | 0 | 113.2 | N118 Y119 | N118-P122 WeakPolarHBondContact O-CD 3.25Å; Y119-P122 VanDerWaalsContact O-CD 3.27Å; Y119-P122 WeakPolarHBondContact O-CD 3.38Å |
| 123 | I | 78.7 | Confident | 84.9 | Confident | 79 Ų | 79 | 65.5 Ų | 65.5 | 41% | 0.405 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -112.9 | 107.1 | -172.7 | -60.3 | 164.4 | 0 | 0 | 0 | 108.7 | Y119 Y120 P125 | Y119-I123 HydrophobicContact CD2-CD1 4.41Å; Y119-I123 HydrophobicContact CE1-CD1 4.12Å; Y119-I123 HydrophobicContact CE2-CD1 3.93Å; Y120-I123 CarbonylContact C-O 3.53Å; Y120-I123 WeakPolarHBondContact CA-O 3.32Å; Y120-I123 WeakPolarHBondContact CD1-O 3.45Å; Y120-I123 CarbonylContact O-C 3.57Å; I123-P125 VanDerWaalsContact O-CD 3.24Å; I123-P125 WeakPolarHBondContact O-CD 3.31Å |
| 124 | T | 80.6 | Confident | 84.9 | Confident | 48 Ų | 48 | 66 Ų | 66 | 29% | 0.294 | 34% | 0.341 | S | S | . | . | trans | -76.5 | 116.7 | 178.5 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | H126 P131 V132 | T124-H126 PolarHBondContact O-CE1 2.93Å; T124-H126 VanDerWaalsContact O-CE1 3.27Å; T124-H126 PolarHBondContact O-ND1 2.79Å; T124-P131 HydrophobicContact CG2-CB 3.59Å; T124-V132 WeakPolarHBondContact CG2-O 3.2Å | ||
| 125 | P | 80.5 | Confident | 84.9 | Confident | 12 Ų | 12 | 68.5 Ų | 68.5 | 8% | 0.078 | 35% | 0.349 | C | S | . | . | trans | -68 | 140.4 | 174.5 | 25.4 | -29 | 0 | 0 | 0 | 110.1 | Y120 I123 V132 I134 | Y120-P125 HydrophobicContact CD1-CB 3.87Å; Y120-P125 HydrophobicContact CD1-CG 3.66Å; Y120-P125 HydrophobicContact CE1-CB 3.7Å; Y120-P125 HydrophobicContact CE1-CG 3.97Å; Y120-P125 HydrophobicContact CG-CG 4.07Å; I123-P125 VanDerWaalsContact O-CD 3.24Å; I123-P125 WeakPolarHBondContact O-CD 3.31Å; P125-V132 WeakPolarHBondContact CD-O 3.5Å; P125-V132 HydrophobicContact CG-CB 4.28Å; P125-V132 PolarHBondContact O-N 3.49Å; P125-I134 HydrophobicContact CG-CD1 3.81Å; P125-I134 HydrophobicContact CG-CG1 4.44Å | ||
| 126 | H | 80.7 | Confident | 84.9 | Confident | 123 Ų | 123 | 66.2 Ų | 66.2 | 57% | 0.569 | 33% | 0.332 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 114.5 | 176.1 | -63.1 | 78.2 | 0 | 0 | 0 | 109.1 | T124 Q130 | T124-H126 PolarHBondContact O-CE1 2.93Å; T124-H126 VanDerWaalsContact O-CE1 3.27Å; T124-H126 PolarHBondContact O-ND1 2.79Å; H126-Q130 CarbonylContact C-O 3.55Å; H126-Q130 VanDerWaalsContact CA-O 3.3Å; H126-Q130 WeakPolarHBondContact CA-O 3.43Å |
| 127 | L | 83.1 | Confident | 84.6 | Confident | 12 Ų | 12 | 66.8 Ų | 66.8 | 6% | 0.063 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.6 | 171.1 | -71.5 | -177.6 | 0 | 0 | 0 | 108.7 | I72 P73 V76 I81 L84 S129 Q130 V132 | I72-L127 HydrophobicContact CD1-CD1 4.08Å; P73-L127 HydrophobicContact CG-CB 4.47Å; V76-L127 HydrophobicContact CG1-CD1 3.99Å; V76-L127 HydrophobicContact CG2-CB 3.76Å; V76-L127 HydrophobicContact CG2-CD1 3.77Å; V76-L127 HydrophobicContact CG2-CG 4.31Å; I81-L127 HydrophobicContact CD1-CD1 3.62Å; L84-L127 HydrophobicContact CD1-CD1 3.87Å; L84-L127 HydrophobicContact CD1-CD2 3.79Å; L84-L127 HydrophobicContact CD1-CG 4.09Å; L84-L127 HydrophobicContact CG-CD2 4.34Å; L127-S129 PolarHBondContact O-N 3.41Å; L127-Q130 PolarHBondContact N-O 3.42Å; L127-Q130 WeakPolarHBondContact O-CB 3.41Å; L127-Q130 PolarHBondContact O-N 3.11Å; L127-V132 HydrophobicContact CB-CG2 3.97Å; L127-V132 HydrophobicContact CD1-CG2 3.9Å; L127-V132 HydrophobicContact CG-CG2 3.93Å |
| 128 | R | 78.6 | Confident | 84.3 | Confident | 172 Ų | 172 | 74 Ų | 74 | 65% | 0.649 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.3 | 40.7 | -176.4 | -55 | 179.7 | 64.3 | 84.1 | 1.6 | 112.8 | D75 Q130 | D75-R128 IonicContact OD2-NE 3.95Å; R128-Q130 VanDerWaalsContact C-N 3.26Å; R128-Q130 PolarHBondContact O-N 2.73Å |
| 129 | S | 79.9 | Confident | 83.8 | Confident | 117 Ų | 117 | 75.4 Ų | 75.4 | 82% | 0.818 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68 | 14.8 | -174.8 | -50.8 | 0 | 0 | 0 | 0 | 115.6 | L127 | L127-S129 PolarHBondContact O-N 3.41Š|
| 130 | Q | 83 | Confident | 83.3 | Confident | 96 Ų | 96 | 77.6 Ų | 77.6 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 127.3 | 177.2 | -136.4 | 173.1 | 100.4 | 0 | 0 | 110.8 | P73 H126 L127 R128 V132 | P73-Q130 HydrophobicContact CG-CB 4.01Å; H126-Q130 CarbonylContact C-O 3.55Å; H126-Q130 VanDerWaalsContact CA-O 3.3Å; H126-Q130 WeakPolarHBondContact CA-O 3.43Å; L127-Q130 PolarHBondContact N-O 3.42Å; L127-Q130 WeakPolarHBondContact O-CB 3.41Å; L127-Q130 PolarHBondContact O-N 3.11Å; R128-Q130 VanDerWaalsContact C-N 3.26Å; R128-Q130 PolarHBondContact O-N 2.73Å; Q130-V132 PolarHBondContact O-N 3.31Å |
| 131 | P | 86.6 | Confident | 83 | Confident | 50 Ų | 50 | 83.6 Ų | 83.6 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.6 | 131.6 | -178.7 | 27 | -33.5 | 0 | 0 | 0 | 111.5 | T124 | T124-P131 HydrophobicContact CG2-CB 3.59Å |
| 132 | V | 88.1 | Confident | 83 | Confident | 1 Ų | 1 | 80.3 Ų | 80.3 | 1% | 0.006 | 39% | 0.393 | C | S | . | . | trans | -112.7 | 138.5 | 179.8 | 174.7 | 0 | 0 | 0 | 0 | 109.6 | L69 I72 T124 P125 L127 Q130 I134 | L69-V132 HydrophobicContact CB-CG1 4.22Å; L69-V132 HydrophobicContact CD2-CG1 4.25Å; I72-V132 HydrophobicContact CD1-CB 4.33Å; I72-V132 HydrophobicContact CD1-CG1 3.42Å; I72-V132 VanDerWaalsContact CD1-CG1 3.42Å; I72-V132 HydrophobicContact CD1-CG2 3.9Å; I72-V132 HydrophobicContact CG1-CG1 4.49Å; T124-V132 WeakPolarHBondContact CG2-O 3.2Å; P125-V132 WeakPolarHBondContact CD-O 3.5Å; P125-V132 HydrophobicContact CG-CB 4.28Å; P125-V132 PolarHBondContact O-N 3.49Å; L127-V132 HydrophobicContact CB-CG2 3.97Å; L127-V132 HydrophobicContact CD1-CG2 3.9Å; L127-V132 HydrophobicContact CG-CG2 3.93Å; Q130-V132 PolarHBondContact O-N 3.31Å; V132-I134 HydrophobicContact CG1-CG1 4.44Å | ||
| 133 | Y | 87.5 | Confident | 82.6 | Confident | 120 Ų | 120 | 85.4 Ų | 85.4 | 47% | 0.471 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 132.8 | 178 | -62.1 | -84.6 | 0 | 0 | 0 | 110.7 | L69 R70 K71 | L69-Y133 CarbonylContact C-O 3.54Å; L69-Y133 VanDerWaalsContact CA-O 3.31Å; L69-Y133 WeakPolarHBondContact CA-O 3.26Å; R70-Y133 PolarHBondContact N-O 3.4Å; R70-Y133 PolarHBondContact O-N 3.38Å; K71-Y133 HydrophobicContact CB-CD2 4.47Å; K71-Y133 HydrophobicContact CG-CD2 4.08Å; K71-Y133 HydrophobicContact CG-CE2 4.29Å |
| 134 | I | 90.4 | Very high | 82.2 | Confident | 12 Ų | 12 | 82.6 Ų | 82.6 | 6% | 0.062 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 128.7 | -177.7 | -55.6 | 170.1 | 0 | 0 | 0 | 108.6 | L67 H68 L69 M116 V117 Y120 P125 V132 | L67-I134 HydrophobicContact CB-CG2 4.2Å; L67-I134 HydrophobicContact CD1-CG2 4.22Å; H68-I134 WeakPolarHBondContact O-CA 3.31Å; L69-I134 HydrophobicContact CD2-CD1 4.5Å; L69-I134 HydrophobicContact CD2-CG1 4.23Å; L69-I134 HydrophobicContact CG-CG1 4.13Å; M116-I134 HydrophobicContact CE-CD1 4.08Å; V117-I134 HydrophobicContact CG2-CG2 4.23Å; Y120-I134 HydrophobicContact CD2-CD1 3.34Å; Y120-I134 HydrophobicContact CE2-CD1 3.93Å; Y120-I134 HydrophobicContact CG-CD1 3.66Å; P125-I134 HydrophobicContact CG-CD1 3.81Å; P125-I134 HydrophobicContact CG-CG1 4.44Å; V132-I134 HydrophobicContact CG1-CG1 4.44Å |
| 135 | Q | 88.9 | Confident | 81.2 | Confident | 91 Ų | 91 | 86.4 Ų | 86.4 | 43% | 0.425 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 163.4 | 177.8 | -70.2 | 178 | 39 | 0 | 0 | 109.9 | L67 H68 S137 | L67-Q135 CarbonylContact C-O 3.39Å; L67-Q135 WeakPolarHBondContact CA-O 3.37Å; H68-Q135 PolarHBondContact N-O 2.93Å; H68-Q135 PolarHBondContact O-N 3.45Å; Q135-S137 PolarHBondContact O-N 3.32Å |
| 136 | Y | 89.6 | Confident | 80 | Confident | 30 Ų | 30 | 92.8 Ų | 92.8 | 12% | 0.118 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -62.9 | 138.3 | 168.3 | -62.6 | -69.5 | 0 | 0 | 0 | 110.6 | P60 C61 S64 L67 V114 V117 | P60-Y136 HydrophobicContact CB-CE2 4.42Å; C61-Y136 HydrophobicContact CB-CD2 4.31Å; C61-Y136 WeakPolarHBondContact O-CD2 3.39Å; S64-Y136 WeakPolarHBondContact O-CD1 3.02Å; L67-Y136 HydrophobicContact CD2-CD1 3.93Å; L67-Y136 HydrophobicContact CD2-CE1 4.27Å; V114-Y136 VanDerWaalsContact CA-OH 3.29Å; V114-Y136 WeakPolarHBondContact CA-OH 3.21Å; V114-Y136 HydrophobicContact CG2-CE1 4.28Å; V114-Y136 WeakPolarHBondContact CG2-OH 3.42Å; V117-Y136 HydrophobicContact CB-CE1 4.34Å; V117-Y136 HydrophobicContact CB-CE2 4.32Å; V117-Y136 HydrophobicContact CG1-CD2 4.4Å; V117-Y136 HydrophobicContact CG1-CE2 3.92Å; V117-Y136 HydrophobicContact CG2-CD1 4.17Å; V117-Y136 HydrophobicContact CG2-CE1 3.9Å; V117-Y136 HydrophobicContact CG2-CE2 4.44Å |
| 137 | S | 85 | Confident | 79.3 | Confident | 12 Ų | 12 | 90.4 Ų | 90.4 | 8% | 0.084 | 44% | 0.437 | C | S | . | . | trans | -73.9 | 152.8 | 168.5 | -174.1 | 0 | 0 | 0 | 0 | 110.1 | V66 Q135 H139 | V66-S137 WeakPolarHBondContact O-CB 3.46Å; V66-S137 PolarHBondContact O-N 2.52Å; Q135-S137 PolarHBondContact O-N 3.32Å; S137-H139 PolarHBondContact O-N 3.31Å; S137-H139 PolarHBondContact OG-N 2.89Å | ||
| 138 | N | 83 | Confident | 78.5 | Confident | 162 Ų | 162 | 95.9 Ų | 95.9 | 87% | 0.866 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -73.5 | -9.7 | 172.2 | -160.8 | 21.7 | 0 | 0 | 0 | 112.4 | ||
| 139 | H | 77.8 | Confident | 78.1 | Confident | 125 Ų | 125 | 89 Ų | 89 | 58% | 0.579 | 45% | 0.449 | S | S | * | . | trans | -106 | 142.8 | 176.8 | -59.4 | -67.3 | 0 | 0 | 0 | 110.2 | S64 V66 S137 | S64-H139 PolarHBondContact OG-O 3.19Å; V66-H139 WeakPolarHBondContact CB-O 3.41Å; S137-H139 PolarHBondContact O-N 3.31Å; S137-H139 PolarHBondContact OG-N 2.89Å | ||
| 140 | R | 77.4 | Confident | 78.1 | Confident | 163 Ų | 163 | 85.2 Ų | 85.2 | 62% | 0.615 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -84 | -18 | 173.7 | -71.4 | -175.2 | 85.5 | -152.6 | 8.2 | 113.6 | V66 E110 | V66-R140 WeakPolarHBondContact CG2-O 3.42Å; E110-R140 IonicContact OE2-NH2 3.37Å; E110-R140 PolarHBondContact OE2-NH2 3.33Å |
| 141 | E | 79.9 | Confident | 78.1 | Confident | 158 Ų | 158 | 84 Ų | 84 | 74% | 0.738 | 43% | 0.425 | S | S | * | . | S | Bend | trans | -135.2 | 140.4 | -179.8 | -63.9 | 179.4 | 119.2 | 0 | 0 | 109.5 | ||
| 142 | L | 82.6 | Confident | 77.9 | Confident | 20 Ų | 20 | 88.9 Ų | 88.9 | 11% | 0.105 | 44% | 0.437 | C | S | . | . | trans | -92.5 | 109.9 | -178 | -170.5 | 58.8 | 0 | 0 | 0 | 110.6 | V66 N93 L95 F104 E106 T144 | V66-L142 HydrophobicContact CG1-CB 4.38Å; V66-L142 HydrophobicContact CG1-CD1 4.32Å; V66-L142 HydrophobicContact CG2-CB 4.28Å; N93-L142 HydrophobicContact CB-CB 4.3Å; N93-L142 HydrophobicContact CB-CD2 4.28Å; L95-L142 HydrophobicContact CB-CD1 3.96Å; L95-L142 HydrophobicContact CB-CD2 3.61Å; L95-L142 HydrophobicContact CB-CG 3.94Å; L95-L142 HydrophobicContact CD2-CD1 3.95Å; F104-L142 HydrophobicContact CB-CD1 3.37Å; F104-L142 HydrophobicContact CB-CD2 3.76Å; F104-L142 HydrophobicContact CB-CG 4.21Å; F104-L142 HydrophobicContact CD1-CD1 4.47Å; F104-L142 HydrophobicContact CD2-CD1 4.38Å; F104-L142 HydrophobicContact CG-CD1 3.86Å; E106-L142 HydrophobicContact CB-CB 4.36Å; E106-L142 WeakPolarHBondContact OE2-CB 3.41Å; E106-L142 PolarHBondContact OE2-N 3.27Å; L142-T144 HydrophobicContact CD2-CG2 4.23Å; L142-T144 HydrophobicContact CG-CG2 4.01Å; L142-T144 PolarHBondContact O-N 2.84Å | ||
| 143 | K | 73.4 | Confident | 77.8 | Confident | 190 Ų | 190 | 89 Ų | 89 | 83% | 0.826 | 44% | 0.437 | S | S | * | . | trans | -73.1 | 112.4 | 171.8 | -67.8 | -175.3 | 178.9 | 177.1 | 0 | 109.5 | ||||
| 144 | T | 70.3 | Confident | 77.7 | Confident | 21 Ų | 21 | 87.1 Ų | 87.1 | 13% | 0.129 | 43% | 0.433 | C | S | . | . | trans | -105.3 | -1 | -179.3 | 52.2 | 0 | 0 | 0 | 0 | 113.1 | L95 L142 N146 Q150 | L95-T144 HydrophobicContact CB-CG2 4.4Å; L142-T144 HydrophobicContact CD2-CG2 4.23Å; L142-T144 HydrophobicContact CG-CG2 4.01Å; L142-T144 PolarHBondContact O-N 2.84Å; T144-N146 VanDerWaalsContact C-N 3.35Å; T144-N146 PolarHBondContact O-N 3.28Å; T144-Q150 PolarHBondContact O-NE2 3.34Å; T144-Q150 PolarHBondContact O-OE1 3.27Å; T144-Q150 VanDerWaalsContact O-OE1 3.09Å; T144-Q150 PolarHBondContact OG1-NE2 3.37Å | ||
| 145 | D | 58.9 | Low | 77.5 | Confident | 128 Ų | 128 | 89 Ų | 89 | 68% | 0.684 | 45% | 0.451 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -21.2 | -155.7 | -169.3 | -103.7 | 0 | 0 | 0 | 119.2 | ||
| 146 | N | 55.1 | Low | 77.5 | Confident | 145 Ų | 145 | 85.7 Ų | 85.7 | 78% | 0.775 | 44% | 0.439 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -153.9 | 47.1 | -170.3 | -110.2 | -82.9 | 0 | 0 | 0 | 114.1 | T144 | T144-N146 VanDerWaalsContact C-N 3.35Å; T144-N146 PolarHBondContact O-N 3.28Å |
| 147 | L | 65.7 | Low | 77.4 | Confident | 74 Ų | 74 | 85.3 Ų | 85.3 | 39% | 0.387 | 44% | 0.438 | S | S | . | . | trans | -125.2 | 131.1 | 175.8 | -152.6 | 66.2 | 0 | 0 | 0 | 110.9 | L95 N149 Q150 | L95-L147 HydrophobicContact CD1-CB 4.44Å; L95-L147 HydrophobicContact CD1-CD2 3.92Å; L147-N149 WeakPolarHBondContact CB-OD1 3.19Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.34Å; L147-N149 WeakPolarHBondContact CD2-OD1 3.27Å; L147-N149 WeakPolarHBondContact CG-OD1 3.42Å; L147-N149 PolarHBondContact O-N 2.86Å; L147-Q150 WeakPolarHBondContact O-CB 3.24Å; L147-Q150 PolarHBondContact O-N 3.31Å | ||
| 148 | P | 66.3 | Low | 77.5 | Confident | 127 Ų | 127 | 90.8 Ų | 90.8 | 83% | 0.825 | 46% | 0.463 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -16 | -173.3 | 22.3 | -34 | 0 | 0 | 0 | 114.4 | ||
| 149 | N | 71.3 | Confident | 77.6 | Confident | 28 Ų | 28 | 85.7 Ų | 85.7 | 15% | 0.15 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -8.8 | 175.4 | 54.8 | 10.5 | 0 | 0 | 0 | 113.7 | M96 L147 A153 | M96-N149 PolarHBondContact O-ND2 3.42Å; L147-N149 WeakPolarHBondContact CB-OD1 3.19Å; L147-N149 WeakPolarHBondContact CD2-ND2 3.34Å; L147-N149 WeakPolarHBondContact CD2-OD1 3.27Å; L147-N149 WeakPolarHBondContact CG-OD1 3.42Å; L147-N149 PolarHBondContact O-N 2.86Å; N149-A153 PolarHBondContact O-N 2.96Å |
| 150 | Q | 80.1 | Confident | 77.9 | Confident | 36 Ų | 36 | 81.5 Ų | 81.5 | 17% | 0.168 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -64.6 | -40.3 | 176.7 | -176.6 | -168.5 | 31.2 | 0 | 0 | 111.9 | T144 L147 R152 A153 Q154 | T144-Q150 PolarHBondContact O-NE2 3.34Å; T144-Q150 PolarHBondContact O-OE1 3.27Å; T144-Q150 VanDerWaalsContact O-OE1 3.09Å; T144-Q150 PolarHBondContact OG1-NE2 3.37Å; L147-Q150 WeakPolarHBondContact O-CB 3.24Å; L147-Q150 PolarHBondContact O-N 3.31Å; Q150-R152 PolarHBondContact O-N 3.5Å; Q150-A153 WeakPolarHBondContact O-CB 3.44Å; Q150-A153 PolarHBondContact O-N 3.36Å; Q150-A153 VanDerWaalsContact O-N 3.08Å; Q150-Q154 HydrophobicContact CG-CG 4.14Å; Q150-Q154 PolarHBondContact O-N 2.82Å |
| 151 | A | 82.3 | Confident | 78 | Confident | 70 Ų | 70 | 75.9 Ų | 75.9 | 58% | 0.579 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -57.1 | -40.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112 | A155 | A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3.03Å |
| 152 | R | 83.4 | Confident | 78 | Confident | 154 Ų | 154 | 71.3 Ų | 71.3 | 58% | 0.581 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -69.5 | -41.6 | 177.2 | -166.2 | -176 | -71.3 | -169.4 | -0.2 | 111.9 | E78 Q150 A155 A156 | E78-R152 VanDerWaalsContact CD-CD 3.44Å; E78-R152 WeakPolarHBondContact OE1-CD 3.16Å; E78-R152 WeakPolarHBondContact OE2-CD 3.49Å; Q150-R152 PolarHBondContact O-N 3.5Å; R152-A155 PolarHBondContact O-N 2.98Å; R152-A156 WeakPolarHBondContact O-CB 3.29Å; R152-A156 PolarHBondContact O-N 3.37Å |
| 153 | A | 85 | Confident | 77.5 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 2% | 0.017 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | E78 L94 N149 Q150 A156 L157 | E78-A153 HydrophobicContact CB-CB 4.49Å; E78-A153 HydrophobicContact CG-CB 4.01Å; L94-A153 HydrophobicContact CB-CB 4.29Å; L94-A153 HydrophobicContact CD2-CB 3.73Å; N149-A153 PolarHBondContact O-N 2.96Å; Q150-A153 WeakPolarHBondContact O-CB 3.44Å; Q150-A153 PolarHBondContact O-N 3.36Å; Q150-A153 VanDerWaalsContact O-N 3.08Å; A153-A156 PolarHBondContact O-N 2.92Å; A153-L157 VanDerWaalsContact O-CG 3.28Å; A153-L157 WeakPolarHBondContact O-CG 3.03Å; A153-L157 PolarHBondContact O-N 3.03Å |
| 154 | Q | 85.1 | Confident | 77.2 | Confident | 81 Ų | 81 | 73.7 Ų | 73.7 | 38% | 0.379 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -63.7 | -42.5 | 176.6 | -73 | -171.5 | -5.9 | 0 | 0 | 112.1 | Q150 A156 L157 Q158 | Q150-Q154 HydrophobicContact CG-CG 4.14Å; Q150-Q154 PolarHBondContact O-N 2.82Å; Q154-A156 VanDerWaalsContact C-N 3.33Å; Q154-A156 PolarHBondContact O-N 3.43Å; Q154-L157 PolarHBondContact O-N 2.85Å; Q154-Q158 VanDerWaalsContact O-CG 3.31Å; Q154-Q158 WeakPolarHBondContact O-CG 3.42Å; Q154-Q158 PolarHBondContact O-N 3.49Å |
| 155 | A | 87.4 | Confident | 76.6 | Confident | 53 Ų | 53 | 78 Ų | 78 | 44% | 0.438 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.2 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | A151 R152 Q158 A159 | A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3.03Å; R152-A155 PolarHBondContact O-N 2.98Å; A155-Q158 PolarHBondContact O-N 3.38Å; A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.05Å |
| 156 | A | 87.8 | Confident | 76.5 | Confident | 21 Ų | 21 | 74.8 Ų | 74.8 | 17% | 0.174 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -65 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E78 I82 R152 A153 Q154 A159 V160 | E78-A156 HydrophobicContact CB-CB 4.24Å; I82-A156 HydrophobicContact CD1-CB 3.6Å; R152-A156 WeakPolarHBondContact O-CB 3.29Å; R152-A156 PolarHBondContact O-N 3.37Å; A153-A156 PolarHBondContact O-N 2.92Å; Q154-A156 VanDerWaalsContact C-N 3.33Å; Q154-A156 PolarHBondContact O-N 3.43Å; A156-A159 PolarHBondContact O-N 3.43Å; A156-V160 PolarHBondContact O-N 3.35Å |
| 157 | L | 87.8 | Confident | 75.9 | Confident | 21 Ų | 21 | 72.9 Ų | 72.9 | 11% | 0.11 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -62.6 | -41.9 | 175.9 | -71.6 | 168.5 | 0 | 0 | 0 | 112.2 | I82 V91 L94 A153 Q154 V160 S161 | I82-L157 HydrophobicContact CD1-CD2 3.64Å; I82-L157 HydrophobicContact CD1-CG 3.8Å; I82-L157 HydrophobicContact CG1-CD2 3.75Å; I82-L157 HydrophobicContact CG1-CG 4.4Å; I82-L157 HydrophobicContact CG2-CD2 4.3Å; V91-L157 HydrophobicContact CB-CD2 3.89Å; V91-L157 HydrophobicContact CG1-CD2 3.54Å; L94-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CG 3.28Å; A153-L157 WeakPolarHBondContact O-CG 3.03Å; A153-L157 PolarHBondContact O-N 3.03Å; Q154-L157 PolarHBondContact O-N 2.85Å; L157-V160 WeakPolarHBondContact O-CG2 3.36Å; L157-S161 WeakPolarHBondContact O-CB 3.17Å; L157-S161 PolarHBondContact O-N 2.9Å; L157-S161 VanDerWaalsContact O-N 3.13Å; L157-S161 PolarHBondContact O-OG 2.84Å |
| 158 | Q | 86.3 | Confident | 75.2 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 60% | 0.598 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.9 | -46.1 | 174.7 | -72.5 | 174.6 | 13.1 | 0 | 0 | 111 | Q154 A155 V160 S161 A162 | Q154-Q158 VanDerWaalsContact O-CG 3.31Å; Q154-Q158 WeakPolarHBondContact O-CG 3.42Å; Q154-Q158 PolarHBondContact O-N 3.49Å; A155-Q158 PolarHBondContact O-N 3.38Å; Q158-V160 PolarHBondContact O-N 3.5Å; Q158-S161 PolarHBondContact O-N 2.99Å; Q158-S161 PolarHBondContact O-OG 3.44Å; Q158-A162 PolarHBondContact O-N 2.89Å |
| 159 | A | 86.6 | Confident | 74 | Confident | 55 Ų | 55 | 75.4 Ų | 75.4 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -58.6 | -46.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | A155 A156 S161 A162 V163 | A155-A159 WeakPolarHBondContact O-CB 3.29Å; A155-A159 PolarHBondContact O-N 3.05Å; A156-A159 PolarHBondContact O-N 3.43Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 3.07Å; A159-A162 PolarHBondContact O-N 2.92Å; A159-V163 WeakPolarHBondContact O-CG2 3.47Å; A159-V163 PolarHBondContact O-N 3.03Å; A159-V163 VanDerWaalsContact O-N 3.15Å |
| 160 | V | 83.4 | Confident | 72.9 | Confident | 36 Ų | 36 | 81.8 Ų | 81.8 | 22% | 0.218 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -66.5 | -35.1 | 178.2 | -62.1 | 0 | 0 | 0 | 0 | 112.4 | I82 A156 L157 Q158 V163 Q164 | I82-V160 HydrophobicContact CG2-CB 4.46Å; I82-V160 HydrophobicContact CG2-CG1 4Å; I82-V160 HydrophobicContact CG2-CG2 3.86Å; A156-V160 PolarHBondContact O-N 3.35Å; L157-V160 WeakPolarHBondContact O-CG2 3.36Å; Q158-V160 PolarHBondContact O-N 3.5Å; V160-V163 PolarHBondContact O-N 3.11Å; V160-Q164 PolarHBondContact O-N 2.7Å |
| 161 | S | 80.5 | Confident | 71.3 | Confident | 46 Ų | 46 | 86.2 Ų | 86.2 | 32% | 0.322 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 177.2 | 71.4 | 0 | 0 | 0 | 0 | 112.1 | L157 Q158 A159 Q164 S165 | L157-S161 WeakPolarHBondContact O-CB 3.17Å; L157-S161 PolarHBondContact O-N 2.9Å; L157-S161 VanDerWaalsContact O-N 3.13Å; L157-S161 PolarHBondContact O-OG 2.84Å; Q158-S161 PolarHBondContact O-N 2.99Å; Q158-S161 PolarHBondContact O-OG 3.44Å; A159-S161 VanDerWaalsContact C-N 3.32Å; A159-S161 PolarHBondContact O-N 3.07Å; S161-Q164 PolarHBondContact O-N 2.64Å; S161-S165 PolarHBondContact O-N 3.47Å |
| 162 | A | 79.3 | Confident | 69.5 | Low | 62 Ų | 62 | 86 Ų | 86 | 51% | 0.512 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.2 | -38.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q158 A159 Q164 | Q158-A162 PolarHBondContact O-N 2.89Å; A159-A162 PolarHBondContact O-N 2.92Å; A162-Q164 VanDerWaalsContact C-N 3.34Å; A162-Q164 PolarHBondContact O-N 2.85Å |
| 163 | V | 72.5 | Confident | 67.6 | Low | 126 Ų | 126 | 81.3 Ų | 81.3 | 76% | 0.764 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67.9 | -33.3 | 178.3 | 173.7 | 0 | 0 | 0 | 0 | 112.1 | A159 V160 | A159-V163 WeakPolarHBondContact O-CG2 3.47Å; A159-V163 PolarHBondContact O-N 3.03Å; A159-V163 VanDerWaalsContact O-N 3.15Å; V160-V163 PolarHBondContact O-N 3.11Å |
| 164 | Q | 65.4 | Low | 65.8 | Low | 133 Ų | 133 | 87.4 Ų | 87.4 | 62% | 0.621 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -83.7 | -21.9 | -173.8 | -151.4 | 155.8 | 82.1 | 0 | 0 | 113.7 | V160 S161 A162 | V160-Q164 PolarHBondContact O-N 2.7Å; S161-Q164 PolarHBondContact O-N 2.64Å; A162-Q164 VanDerWaalsContact C-N 3.34Å; A162-Q164 PolarHBondContact O-N 2.85Å |
| 165 | S | 58.1 | Low | 63.9 | Low | 111 Ų | 111 | 89.1 Ų | 89.1 | 78% | 0.776 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -92.7 | -2.7 | 177.2 | -67.7 | 0 | 0 | 0 | 0 | 114.5 | S161 | S161-S165 PolarHBondContact O-N 3.47Š|
| 166 | G | 58.3 | Low | 62.2 | Low | 62 Ų | 62 | 93.8 Ų | 93.8 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | trans | 71.8 | 97 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 167 | S | 42.5 | Very low | 60.7 | Low | 105 Ų | 105 | 102.3 Ų | 102.3 | 73% | 0.734 | 66% | 0.655 | S | S | * | * | trans | -165.3 | 134.2 | 149.6 | -165.4 | 0 | 0 | 0 | 0 | 111.9 | A169 | S167-A169 PolarHBondContact O-N 3.2Å; S167-A169 VanDerWaalsContact O-N 3.15Å | ||
| 168 | L | 49.1 | Very low | 59 | Low | 163 Ų | 163 | 104.7 Ų | 104.7 | 85% | 0.853 | 69% | 0.685 | S | S | * | * | trans | -56 | 107.5 | 159.4 | -72.9 | 137.4 | 0 | 0 | 0 | 108.9 | ||||
| 169 | A | 42.9 | Very low | 57.2 | Low | 90 Ų | 90 | 105.4 Ų | 105.4 | 74% | 0.744 | 70% | 0.698 | S | S | * | * | trans | -126.5 | 84.1 | 158.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | S167 S171 | S167-A169 PolarHBondContact O-N 3.2Å; S167-A169 VanDerWaalsContact O-N 3.15Å; A169-S171 PolarHBondContact O-N 3.45Å | ||
| 170 | L | 47.4 | Very low | 56 | Low | 163 Ų | 163 | 108.7 Ų | 108.7 | 85% | 0.853 | 71% | 0.712 | S | S | * | * | trans | -49.8 | 106.1 | 154 | -67.1 | 158 | 0 | 0 | 0 | 106.7 | G172 | L170-G172 PolarHBondContact O-N 3.08Š| ||
| 171 | S | 46.1 | Very low | 53.8 | Low | 128 Ų | 128 | 113.9 Ų | 113.9 | 90% | 0.895 | 74% | 0.738 | S | S | * | * | trans | -75.3 | 82.8 | 163.2 | -170.5 | 0 | 0 | 0 | 0 | 106.8 | A169 | A169-S171 PolarHBondContact O-N 3.45Š| ||
| 172 | G | 43.8 | Very low | 53.3 | Low | 65 Ų | 65 | 120.8 Ų | 120.8 | 67% | 0.67 | 78% | 0.782 | S | S | * | * | trans | -69.8 | 125.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | L170 | L170-G172 PolarHBondContact O-N 3.08Š| ||
| 173 | G | 45.4 | Very low | 52 | Low | 57 Ų | 57 | 123.8 Ų | 123.8 | 59% | 0.588 | 80% | 0.795 | S | S | * | * | trans | 68.6 | 130.4 | 140.8 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 174 | P | 46.3 | Very low | 51 | Low | 129 Ų | 129 | 123.6 Ų | 123.6 | 84% | 0.838 | 80% | 0.797 | S | S | * | * | -80.1 | 93.9 | 127.7 | 31.2 | -24 | 0 | 0 | 0 | 107.9 | N176 | P174-N176 PolarHBondContact O-N 3.32Š| |||
| 175 | S | 44.3 | Very low | 50.2 | Low | 118 Ų | 118 | 123.1 Ų | 123.1 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | trans | -67.5 | 111 | 161.9 | -61.7 | 0 | 0 | 0 | 0 | 107.7 | E177 | S175-E177 PolarHBondContact O-N 3.14Š| ||
| 176 | N | 53 | Low | 49.7 | Very low | 151 Ų | 151 | 123.8 Ų | 123.8 | 81% | 0.807 | 81% | 0.808 | S | S | * | * | trans | -90.5 | 84.9 | 174.7 | 53.6 | -11.6 | 0 | 0 | 0 | 109.6 | P174 | P174-N176 PolarHBondContact O-N 3.32Š| ||
| 177 | E | 55 | Low | 49.2 | Very low | 200 Ų | 200 | 127.7 Ų | 127.7 | 94% | 0.935 | 82% | 0.819 | S | S | * | * | trans | -150.8 | 131.8 | 160.7 | -110.3 | -158.7 | 94.4 | 0 | 0 | 111.5 | S175 | S175-E177 PolarHBondContact O-N 3.14Š| ||
| 178 | G | 53.3 | Low | 49.6 | Very low | 71 Ų | 71 | 129.2 Ų | 129.2 | 73% | 0.732 | 83% | 0.825 | S | S | * | * | trans | 157.6 | 61.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 179 | T | 47.8 | Very low | 49.6 | Very low | 142 Ų | 142 | 126.8 Ų | 126.8 | 87% | 0.871 | 82% | 0.823 | S | S | * | * | trans | -147.5 | 98.8 | 153.7 | -58.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 180 | V | 61.6 | Low | 50.2 | Low | 124 Ų | 124 | 129.6 Ų | 129.6 | 75% | 0.752 | 83% | 0.829 | S | S | * | * | trans | -136 | 120.6 | 164.3 | 163.7 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 181 | L | 38.1 | Very low | 50.4 | Low | 145 Ų | 145 | 126.8 Ų | 126.8 | 76% | 0.759 | 83% | 0.827 | S | S | * | * | trans | 80.5 | 155.9 | 155.7 | -67.8 | 171.8 | 0 | 0 | 0 | 118.4 | ||||
| 182 | P | 69.8 | Low | 50.8 | Low | 192 Ų | 192 | 126.7 Ų | 126.7 | 100% | 1.247 | 82% | 0.82 | S | S | * | * | cis | -94.1 | 0 | 23.3 | 37.1 | -35.3 | 0 | 0 | 0 | 117.6 |
Retrieved 182 of 182 residues in 155.9 ms
(Link to these results)