| 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 | 42.1 | Very low | 44.2 | Very low | 244 Ų | 244 | 178.8 Ų | 178.8 | 100% | 1.202 | 85% | 0.854 | S | S | * | * | 0 | 127.2 | 0 | -148.2 | 160.7 | 164.9 | 0 | 0 | 107.8 | |||||
| 2 | F | 44.9 | Very low | 43.8 | Very low | 199 Ų | 199 | 173.1 Ų | 173.1 | 87% | 0.873 | 85% | 0.847 | S | S | * | * | trans | -56.4 | 152.6 | -168.5 | -58.5 | -91.1 | 0 | 0 | 0 | 114.2 | ||||
| 3 | R | 51.2 | Low | 43.4 | Very low | 254 Ų | 254 | 168.1 Ų | 168.1 | 96% | 0.958 | 84% | 0.84 | S | S | * | * | -162.4 | 149.8 | 75.9 | -86.3 | 177.1 | 177.8 | 165.6 | -0.1 | 115 | |||||
| 4 | K | 51.4 | Low | 43.3 | Very low | 184 Ų | 184 | 164.4 Ų | 164.4 | 80% | 0.8 | 84% | 0.839 | S | S | * | * | trans | -96.4 | 143.8 | 179.4 | 171.7 | -169.3 | -169.4 | 174.8 | 0 | 109.5 | ||||
| 5 | V | 43.6 | Very low | 43 | Very low | 150 Ų | 150 | 166.4 Ų | 166.4 | 91% | 0.909 | 84% | 0.843 | S | S | * | * | trans | -148.1 | 140.1 | 144.4 | -176.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 6 | K | 49.2 | Very low | 42.5 | Very low | 147 Ų | 147 | 162.3 Ų | 162.3 | 64% | 0.639 | 84% | 0.835 | S | S | * | * | trans | -116.8 | 146.4 | -175.8 | 156.9 | -179.2 | -178.4 | 163.1 | 0 | 108.5 | ||||
| 7 | K | 41.7 | Very low | 42.2 | Very low | 201 Ų | 201 | 158.9 Ų | 158.9 | 87% | 0.874 | 83% | 0.828 | S | S | * | * | trans | -168.3 | 109.5 | 150.6 | -113 | -179.4 | 174.9 | -179.3 | 0 | 107.8 | ||||
| 8 | R | 43.3 | Very low | 41.7 | Very low | 182 Ų | 182 | 160.2 Ų | 160.2 | 69% | 0.687 | 83% | 0.83 | S | S | * | * | 78 | 109 | 70.1 | -79.1 | -162.9 | 162.1 | 163.8 | -1.7 | 114.6 | |||||
| 9 | H | 44.4 | Very low | 41.5 | Very low | 162 Ų | 162 | 160.3 Ų | 160.3 | 75% | 0.75 | 83% | 0.83 | S | S | * | * | trans | 38.8 | 137.2 | 138 | -43.9 | -68.6 | 0 | 0 | 0 | 121.2 | ||||
| 10 | S | 36.9 | Very low | 41.4 | Very low | 128 Ų | 128 | 158.4 Ų | 158.4 | 90% | 0.895 | 83% | 0.831 | S | S | * | * | -168.9 | 156.2 | 110 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 11 | S | 38 | Very low | 41.3 | Very low | 116 Ų | 116 | 157.2 Ų | 157.2 | 81% | 0.811 | 83% | 0.831 | S | S | * | * | trans | -117.2 | 151.7 | -166.8 | 41.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 12 | S | 38.9 | Very low | 41.1 | Very low | 110 Ų | 110 | 155 Ų | 155 | 77% | 0.769 | 81% | 0.814 | S | S | * | * | trans | -178.6 | 130 | 143 | 55.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 13 | S | 38.7 | Very low | 40.8 | Very low | 108 Ų | 108 | 150.9 Ų | 150.9 | 76% | 0.755 | 81% | 0.81 | S | S | * | * | cis | 73.6 | 106.5 | 45 | 75.7 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 14 | S | 41.9 | Very low | 40.2 | Very low | 117 Ų | 117 | 149 Ų | 149 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -172.8 | 109.9 | 151.1 | -67.1 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 15 | Q | 39.4 | Very low | 39.5 | Very low | 194 Ų | 194 | 145.9 Ų | 145.9 | 91% | 0.907 | 81% | 0.81 | S | S | * | * | 44.1 | 129.2 | 85.1 | -76.5 | -175.1 | -11.4 | 0 | 0 | 112.8 | |||||
| 16 | S | 34 | Very low | 39.4 | Very low | 101 Ų | 101 | 145.6 Ų | 145.6 | 71% | 0.706 | 81% | 0.809 | S | S | * | * | cis | -171.9 | 165.2 | 32.7 | 44.8 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 17 | S | 37.3 | Very low | 38.7 | Very low | 104 Ų | 104 | 146.1 Ų | 146.1 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | trans | 64.5 | 136.8 | 143.6 | 55.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 18 | E | 34.6 | Very low | 38.6 | Very low | 183 Ų | 183 | 141 Ų | 141 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | cis | -160.8 | 153.9 | 43.4 | -67.4 | 177.7 | 128.6 | 0 | 0 | 111.2 | ||||
| 19 | I | 37 | Very low | 38.3 | Very low | 162 Ų | 162 | 138 Ų | 138 | 83% | 0.831 | 82% | 0.815 | S | S | * | * | 155.6 | 113 | 128.1 | -157.3 | 164 | 0 | 0 | 0 | 110.7 | |||||
| 20 | S | 39 | Very low | 38.3 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 82% | 0.824 | S | S | * | * | trans | -158.5 | 96.6 | 163.5 | -165 | 0 | 0 | 0 | 0 | 108.7 | K22 | S20-K22 PolarHBondContact O-N 3.3Š| ||
| 21 | T | 39.7 | Very low | 38.4 | Very low | 135 Ų | 135 | 136.7 Ų | 136.7 | 83% | 0.828 | 82% | 0.822 | S | S | * | * | trans | -84.9 | 112 | 175.1 | 45.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 22 | K | 38.7 | Very low | 38.3 | Very low | 196 Ų | 196 | 134.6 Ų | 134.6 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -77.3 | 143.5 | 175 | -166 | 175 | -178.5 | -179.7 | 0 | 111 | S20 | S20-K22 PolarHBondContact O-N 3.3Š| ||
| 23 | S | 38.1 | Very low | 38.2 | Very low | 114 Ų | 114 | 137.2 Ų | 137.2 | 80% | 0.797 | 82% | 0.823 | S | S | * | * | trans | -42 | 142.6 | 177.8 | -25.7 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 24 | K | 37.7 | Very low | 38.1 | Very low | 213 Ų | 213 | 136.9 Ų | 136.9 | 93% | 0.926 | 82% | 0.821 | S | S | * | * | trans | -112.1 | 130.1 | 160.5 | -81.1 | -172.6 | 176.6 | -179.9 | 0 | 110.5 | ||||
| 25 | S | 37.3 | Very low | 38.6 | Very low | 119 Ų | 119 | 142.8 Ų | 142.8 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -77.7 | 150.4 | 178.2 | 46.4 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 26 | V | 42.3 | Very low | 38.7 | Very low | 145 Ų | 145 | 139.6 Ų | 139.6 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -74.3 | 139.5 | 163.6 | -104 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 27 | D | 33.2 | Very low | 39.5 | Very low | 157 Ų | 157 | 139.9 Ų | 139.9 | 84% | 0.84 | 83% | 0.826 | S | S | * | * | -161.1 | 162.3 | 127.7 | -151.2 | -0.8 | 0 | 0 | 0 | 111.6 | |||||
| 28 | S | 40 | Very low | 40.1 | Very low | 93 Ų | 93 | 141.7 Ų | 141.7 | 65% | 0.65 | 83% | 0.833 | S | S | * | * | trans | -87.5 | 163.8 | -154.6 | 52.6 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 29 | S | 37.6 | Very low | 40.8 | Very low | 119 Ų | 119 | 139.1 Ų | 139.1 | 83% | 0.832 | 83% | 0.829 | S | S | * | * | trans | -166.3 | 119.6 | 143.5 | -84.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 30 | L | 44.4 | Very low | 41.4 | Very low | 182 Ų | 182 | 136 Ų | 136 | 95% | 0.953 | 83% | 0.828 | S | S | * | * | trans | 2.2 | 141.2 | 149.2 | -73.8 | 141.3 | 0 | 0 | 0 | 122.9 | ||||
| 31 | G | 37.8 | Very low | 41.5 | Very low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | 121.9 | 128.2 | 151 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 32 | G | 36.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 136.2 Ų | 136.2 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | cis | 171.8 | 156 | 2.7 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 33 | L | 36.1 | Very low | 42 | Very low | 165 Ų | 165 | 134.5 Ų | 134.5 | 86% | 0.864 | 82% | 0.822 | S | S | * | * | trans | 74.9 | 106.4 | 155.8 | -51.6 | -179.6 | 0 | 0 | 0 | 120.8 | ||||
| 34 | S | 38.2 | Very low | 42.8 | Very low | 102 Ų | 102 | 135 Ų | 135 | 71% | 0.713 | 82% | 0.82 | S | S | * | * | 72.9 | 120.4 | 121.8 | -49.6 | 0 | 0 | 0 | 0 | 119.8 | |||||
| 35 | R | 50.8 | Low | 42.7 | Very low | 241 Ų | 241 | 132 Ų | 132 | 91% | 0.909 | 81% | 0.814 | S | S | * | * | 170.7 | 130.8 | 92.4 | -87.3 | -176.6 | 167.2 | -176.4 | -5.8 | 110.2 | |||||
| 36 | S | 42.2 | Very low | 43.1 | Very low | 126 Ų | 126 | 131.5 Ų | 131.5 | 88% | 0.881 | 81% | 0.811 | S | S | * | * | trans | -54.1 | 137.6 | 169.5 | -63.7 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 37 | S | 50 | Low | 42.9 | Very low | 107 Ų | 107 | 131.8 Ų | 131.8 | 75% | 0.748 | 81% | 0.808 | S | S | * | * | trans | -140.2 | 119.6 | 144 | 55.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 38 | T | 50.5 | Low | 43.8 | Very low | 143 Ų | 143 | 134.1 Ų | 134.1 | 88% | 0.877 | 81% | 0.81 | S | S | * | * | trans | -67 | 122.8 | 167.6 | 35.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 39 | V | 49.3 | Very low | 44 | Very low | 129 Ų | 129 | 134.5 Ų | 134.5 | 78% | 0.782 | 81% | 0.813 | S | S | * | * | trans | -138.4 | 113.1 | 156.2 | -134.7 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 40 | A | 49.7 | Very low | 44.5 | Very low | 97 Ų | 97 | 135 Ų | 135 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | trans | -69.6 | 130.7 | 170 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 41 | S | 41.7 | Very low | 44.1 | Very low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -160 | 99.8 | 160.5 | -77.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 42 | L | 48 | Very low | 44.6 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | 49.3 | 99.5 | 139.1 | -68.7 | 144.4 | 0 | 0 | 0 | 117.1 | T44 | L42-T44 PolarHBondContact O-N 3.15Š| ||
| 43 | D | 40.9 | Very low | 44.7 | Very low | 160 Ų | 160 | 135 Ų | 135 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -46.6 | 108 | 152.4 | -56.8 | -65.3 | 0 | 0 | 0 | 109.6 | ||||
| 44 | T | 54.3 | Low | 45 | Very low | 123 Ų | 123 | 131.1 Ų | 131.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -108.9 | 85.6 | 155.7 | 0.2 | 0 | 0 | 0 | 0 | 105.7 | L42 S46 | L42-T44 PolarHBondContact O-N 3.15Å; T44-S46 PolarHBondContact O-N 2.99Å; T44-S46 PolarHBondContact O-OG 2.88Å | ||
| 45 | D | 36.6 | Very low | 45.4 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 78% | 0.776 | S | S | * | * | trans | -54.3 | 94.3 | 163.3 | -95.4 | -33.5 | 0 | 0 | 0 | 107.6 | N47 | D45-N47 PolarHBondContact O-N 3.08Š| ||
| 46 | S | 44.3 | Very low | 45.3 | Very low | 110 Ų | 110 | 126.7 Ų | 126.7 | 77% | 0.769 | 77% | 0.77 | S | S | * | * | trans | -73.5 | 76.2 | 168 | -56.9 | 0 | 0 | 0 | 0 | 105.8 | T44 K48 | T44-S46 PolarHBondContact O-N 2.99Å; T44-S46 PolarHBondContact O-OG 2.88Å; S46-K48 VanDerWaalsContact C-N 3.3Å; S46-K48 PolarHBondContact O-N 3.16Å | ||
| 47 | N | 39.1 | Very low | 46.6 | Very low | 151 Ų | 151 | 124.7 Ų | 124.7 | 81% | 0.807 | 76% | 0.762 | S | S | * | * | trans | -60.4 | 101.7 | 173.3 | -143.4 | 14.1 | 0 | 0 | 0 | 106.1 | D45 S49 | D45-N47 PolarHBondContact O-N 3.08Å; N47-S49 PolarHBondContact O-N 3.18Å | ||
| 48 | K | 51.6 | Low | 48.2 | Very low | 206 Ų | 206 | 122.7 Ų | 122.7 | 90% | 0.896 | 75% | 0.747 | S | S | * | * | trans | -63.2 | 77.1 | 168.6 | -115.8 | -179.8 | 179.2 | 176.9 | 0 | 106.7 | S46 S50 | S46-K48 VanDerWaalsContact C-N 3.3Å; S46-K48 PolarHBondContact O-N 3.16Å; K48-S50 PolarHBondContact O-N 3.41Å | ||
| 49 | S | 43.3 | Very low | 50.4 | Low | 101 Ų | 101 | 117.2 Ų | 117.2 | 71% | 0.706 | 72% | 0.716 | S | S | * | * | trans | -71.5 | 110.5 | 159.9 | 66.9 | 0 | 0 | 0 | 0 | 105.8 | N47 G51 | N47-S49 PolarHBondContact O-N 3.18Å; S49-G51 PolarHBondContact O-N 3.42Å | ||
| 50 | S | 49.5 | Very low | 52.6 | Low | 129 Ų | 129 | 115.5 Ų | 115.5 | 90% | 0.902 | 70% | 0.7 | S | S | * | * | trans | -64.4 | 69.3 | 163.8 | 62 | 0 | 0 | 0 | 0 | 108.8 | K48 | K48-S50 PolarHBondContact O-N 3.41Š| ||
| 51 | G | 34.8 | Very low | 54.9 | Low | 42 Ų | 42 | 111.8 Ų | 111.8 | 43% | 0.433 | 67% | 0.665 | S | S | . | * | trans | -80.5 | 117.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | S49 N53 | S49-G51 PolarHBondContact O-N 3.42Å; G51-N53 VanDerWaalsContact C-N 3.34Å; G51-N53 PolarHBondContact O-N 3.15Å | ||
| 52 | N | 49.9 | Very low | 57.5 | Low | 149 Ų | 149 | 113 Ų | 113 | 80% | 0.797 | 65% | 0.654 | S | S | * | * | trans | -60.7 | 86.9 | 176.7 | -164.4 | 41 | 0 | 0 | 0 | 110.6 | A54 | N52-A54 PolarHBondContact O-N 3.2Š| ||
| 53 | N | 37.3 | Very low | 59.9 | Low | 145 Ų | 145 | 105.8 Ų | 105.8 | 78% | 0.775 | 62% | 0.616 | S | S | * | * | trans | -81.1 | 34.6 | 178.7 | -71.8 | -10.1 | 0 | 0 | 0 | 113.1 | G51 S55 | G51-N53 VanDerWaalsContact C-N 3.34Å; G51-N53 PolarHBondContact O-N 3.15Å; N53-S55 PolarHBondContact O-N 3.44Å; N53-S55 VanDerWaalsContact O-N 3.08Å | ||
| 54 | A | 43.6 | Very low | 62.6 | Low | 83 Ų | 83 | 100.5 Ų | 100.5 | 69% | 0.686 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 1.9 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | N52 | N52-A54 PolarHBondContact O-N 3.2Š|
| 55 | S | 45.4 | Very low | 64.6 | Low | 82 Ų | 82 | 97.4 Ų | 97.4 | 57% | 0.573 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.5 | -21.8 | -168.7 | -165.8 | 0 | 0 | 0 | 0 | 115.5 | N53 K114 | N53-S55 PolarHBondContact O-N 3.44Å; N53-S55 VanDerWaalsContact O-N 3.08Å; S55-K114 PolarHBondContact O-NZ 3.18Å |
| 56 | E | 50.1 | Low | 67.5 | Low | 167 Ų | 167 | 90.7 Ų | 90.7 | 78% | 0.78 | 53% | 0.525 | S | S | * | . | trans | -147 | 27.6 | -173.5 | -64.2 | -154.2 | 155.2 | 0 | 0 | 115.9 | C58 | E56-C58 PolarHBondContact O-N 3.02Š| ||
| 57 | A | 67.9 | Low | 70 | Confident | 85 Ų | 85 | 85.9 Ų | 85.9 | 70% | 0.702 | 49% | 0.493 | S | S | * | . | trans | -70.6 | 101.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 58 | C | 84.7 | Confident | 72.8 | Confident | 65 Ų | 65 | 80.3 Ų | 80.3 | 44% | 0.439 | 47% | 0.466 | S | S | . | . | trans | -93.7 | 121.9 | 165.6 | -176.4 | 0 | 0 | 0 | 0 | 108.4 | E56 | E56-C58 PolarHBondContact O-N 3.02Š| ||
| 59 | A | 95.6 | Very high | 74.8 | Confident | 28 Ų | 28 | 71.4 Ų | 71.4 | 23% | 0.231 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 128.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 109.5 | F61 G111 V112 V184 | A59-F61 HydrophobicContact CB-CE2 3.58Å; A59-F61 HydrophobicContact CB-CZ 3.8Å; A59-G111 CarbonylContact O-C 3.53Å; A59-G111 WeakPolarHBondContact O-CA 3.32Å; A59-V112 PolarHBondContact N-O 2.83Å; A59-V112 PolarHBondContact O-N 2.76Å; A59-V184 HydrophobicContact CB-CG1 3.96Å; A59-V184 HydrophobicContact CB-CG2 4.15Å |
| 60 | E | 96.5 | Very high | 77.2 | Confident | 93 Ų | 93 | 71 Ų | 71 | 44% | 0.435 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 137.8 | -178.8 | -64.9 | -170.3 | 161.6 | 0 | 0 | 111 | V109 Q124 | E60-V109 HydrophobicContact CB-CG1 3.95Å; E60-V109 HydrophobicContact CG-CG1 4.17Å; E60-Q124 PolarHBondContact OE2-NE2 2.83Å |
| 61 | F | 97.4 | Very high | 79 | Confident | 19 Ų | 19 | 69.9 Ų | 69.9 | 8% | 0.083 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 135.7 | -175.5 | -56.7 | -87.7 | 0 | 0 | 0 | 110.3 | A59 V63 L110 V112 Q177 N180 I181 V184 | A59-F61 HydrophobicContact CB-CE2 3.58Å; A59-F61 HydrophobicContact CB-CZ 3.8Å; F61-V63 HydrophobicContact CB-CG1 4.46Å; F61-L110 HydrophobicContact CD2-CD2 4.49Å; F61-L110 PolarHBondContact N-O 3.49Å; F61-L110 PolarHBondContact O-N 2.6Å; F61-V112 HydrophobicContact CD2-CG2 4.4Å; F61-V112 HydrophobicContact CE2-CG2 4.21Å; F61-Q177 HydrophobicContact CD1-CG 4.03Å; F61-N180 HydrophobicContact CE1-CB 4.25Å; F61-I181 HydrophobicContact CB-CD1 3.92Å; F61-I181 HydrophobicContact CB-CG1 4.07Å; F61-I181 HydrophobicContact CD1-CD1 4.21Å; F61-I181 HydrophobicContact CD1-CG1 3.66Å; F61-I181 HydrophobicContact CD2-CD1 4.3Å; F61-I181 HydrophobicContact CD2-CG1 3.54Å; F61-I181 HydrophobicContact CE1-CG1 3.88Å; F61-I181 HydrophobicContact CE2-CG1 3.76Å; F61-I181 HydrophobicContact CG-CD1 3.9Å; F61-I181 HydrophobicContact CG-CG1 3.47Å; F61-I181 VanDerWaalsContact CG-CG1 3.47Å; F61-I181 HydrophobicContact CZ-CG1 3.92Å; F61-V184 HydrophobicContact CZ-CG2 4.18Å |
| 62 | R | 97.6 | Very high | 81.4 | Confident | 131 Ų | 131 | 68.9 Ų | 68.9 | 49% | 0.494 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 121.4 | 170.7 | -70.2 | 174.3 | 176.2 | -91.2 | -7.2 | 110 | E107 M108 V122 Q177 | R62-E107 IonicContact NH1-OE2 3.13Å; R62-E107 PolarHBondContact NH1-OE2 3.12Å; R62-E107 VanDerWaalsContact NH1-OE2 3.13Å; R62-M108 WeakPolarHBondContact CA-O 3.47Å; R62-V122 VanDerWaalsContact NH1-CG1 3.32Å; R62-Q177 PolarHBondContact O-NE2 2.84Å |
| 63 | V | 97.5 | Very high | 82.9 | Confident | 2 Ų | 2 | 69.1 Ų | 69.1 | 1% | 0.012 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 161.1 | -179.9 | -60.8 | 0 | 0 | 0 | 0 | 110 | F61 E107 M108 L110 Y170 I181 | F61-V63 HydrophobicContact CB-CG1 4.46Å; V63-E107 CarbonylContact O-C 3.53Å; V63-E107 WeakPolarHBondContact O-CA 3.37Å; V63-M108 PolarHBondContact N-O 2.95Å; V63-M108 PolarHBondContact O-N 2.85Å; V63-L110 HydrophobicContact CG1-CB 4.3Å; V63-L110 HydrophobicContact CG2-CB 3.72Å; V63-L110 HydrophobicContact CG2-CD1 4.14Å; V63-Y170 HydrophobicContact CG2-CD1 4.13Å; V63-Y170 HydrophobicContact CG2-CG 4.48Å; V63-I181 HydrophobicContact CG1-CD1 4.14Å |
| 64 | K | 97.7 | Very high | 84.2 | Confident | 49 Ų | 49 | 66.7 Ų | 66.7 | 21% | 0.213 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.9 | 141.8 | 169.3 | -67.7 | -179 | 163.2 | -162 | 0 | 109.7 | P103 G104 D105 E107 Y170 Q171 | K64-P103 HydrophobicContact CB-CB 3.99Å; K64-P103 HydrophobicContact CB-CG 3.85Å; K64-P103 HydrophobicContact CD-CG 4.19Å; K64-G104 WeakPolarHBondContact CD-O 3.48Å; K64-D105 IonicContact NZ-OD1 2.98Å; K64-D105 PolarHBondContact NZ-OD1 3.42Å; K64-E107 HydrophobicContact CG-CG 4.48Å; K64-Y170 CarbonylContact O-C 3.53Å; K64-Y170 VanDerWaalsContact O-CA 3.3Å; K64-Y170 WeakPolarHBondContact O-CA 3.27Å; K64-Q171 HydrophobicContact CB-CB 4.33Å; K64-Q171 PolarHBondContact N-O 2.75Å; K64-Q171 PolarHBondContact O-N 3.21Å |
| 65 | Y | 97 | Very high | 85.3 | Confident | 58 Ų | 58 | 70.1 Ų | 70.1 | 23% | 0.227 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 125.3 | 178.1 | -179.7 | -116.9 | 0 | 0 | 0 | 110.8 | G67 S68 P103 M108 W168 Y170 | Y65-G67 WeakPolarHBondContact CE2-O 3.48Å; Y65-G67 VanDerWaalsContact CZ-C 3.4Å; Y65-G67 VanDerWaalsContact CZ-CA 3.46Å; Y65-S68 VanDerWaalsContact OH-CB 3.23Å; Y65-S68 WeakPolarHBondContact OH-CB 3.49Å; Y65-S68 PolarHBondContact OH-N 3.1Å; Y65-S68 VanDerWaalsContact OH-N 3.15Å; Y65-S68 PolarHBondContact OH-OG 3.16Å; Y65-P103 VanDerWaalsContact O-CB 3.25Å; Y65-P103 WeakPolarHBondContact O-CB 3.43Å; Y65-M108 HydrophobicContact CG-SD 4.29Å; Y65-W168 HydrophobicContact CE2-CE3 4.49Å; Y65-Y170 AromaticContact CD2-CD1 3.76Å; Y65-Y170 HydrophobicContact CD2-CD1 3.76Å; Y65-Y170 AromaticContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CE2-CE1 4.07Å |
| 66 | V | 97.2 | Very high | 86.3 | Confident | 9 Ų | 9 | 69.8 Ų | 69.8 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | -45.9 | 178.5 | -179.5 | 0 | 0 | 0 | 0 | 109.9 | P100 P103 L152 V169 Q171 | V66-P100 HydrophobicContact CG1-CG 4.06Å; V66-P100 VanDerWaalsContact CG1-O 3.31Å; V66-P100 WeakPolarHBondContact CG1-O 3.28Å; V66-P100 VanDerWaalsContact O-CD 3.24Å; V66-P100 WeakPolarHBondContact O-CD 3.5Å; V66-P100 WeakPolarHBondContact O-CG 3.43Å; V66-P103 HydrophobicContact CG2-CB 3.93Å; V66-P103 HydrophobicContact CG2-CG 4.13Å; V66-L152 HydrophobicContact CG2-CD2 4.06Å; V66-V169 HydrophobicContact CB-CB 4.03Å; V66-V169 HydrophobicContact CB-CG1 3.91Å; V66-V169 WeakPolarHBondContact CB-O 3.36Å; V66-V169 HydrophobicContact CG1-CB 4.46Å; V66-V169 HydrophobicContact CG1-CG1 4.22Å; V66-V169 HydrophobicContact CG2-CG1 4.04Å; V66-V169 PolarHBondContact N-O 3.41Å; V66-Q171 HydrophobicContact CG2-CB 4.11Å |
| 67 | G | 96.8 | Very high | 86.9 | Confident | 10 Ų | 10 | 62.4 Ų | 62.4 | 10% | 0.103 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 158.4 | -176.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | Y65 V169 | Y65-G67 WeakPolarHBondContact CE2-O 3.48Å; Y65-G67 VanDerWaalsContact CZ-C 3.4Å; Y65-G67 VanDerWaalsContact CZ-CA 3.46Å; G67-V169 PolarHBondContact N-O 3.05Å; G67-V169 PolarHBondContact O-N 2.92Å |
| 68 | S | 96.8 | Very high | 86.9 | Confident | 34 Ų | 34 | 64.4 Ų | 64.4 | 24% | 0.238 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.6 | 153.6 | 175.1 | 58.8 | 0 | 0 | 0 | 0 | 111.6 | Y65 E70 I167 W168 | Y65-S68 VanDerWaalsContact OH-CB 3.23Å; Y65-S68 WeakPolarHBondContact OH-CB 3.49Å; Y65-S68 PolarHBondContact OH-N 3.1Å; Y65-S68 VanDerWaalsContact OH-N 3.15Å; Y65-S68 PolarHBondContact OH-OG 3.16Å; S68-E70 PolarHBondContact OG-OE1 2.76Å; S68-I167 CarbonylContact C-O 3.49Å; S68-I167 VanDerWaalsContact CA-O 3.23Å; S68-I167 WeakPolarHBondContact CA-O 3.5Å; S68-W168 VanDerWaalsContact CB-CE3 3.48Å |
| 69 | I | 95.1 | Very high | 86.4 | Confident | 18 Ų | 18 | 64.9 Ų | 64.9 | 9% | 0.092 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 106.6 | 165.7 | -52.4 | 171.1 | 0 | 0 | 0 | 106 | L72 Y89 A93 L99 S166 I167 | I69-L72 HydrophobicContact CG2-CD1 3.99Å; I69-L72 HydrophobicContact CG2-CD2 3.67Å; I69-L72 HydrophobicContact CG2-CG 3.92Å; I69-Y89 HydrophobicContact CD1-CD1 4.27Å; I69-Y89 HydrophobicContact CD1-CE1 3.76Å; I69-Y89 HydrophobicContact CG2-CE1 4.38Å; I69-A93 HydrophobicContact CD1-CB 3.5Å; I69-L99 HydrophobicContact CD1-CD1 3.73Å; I69-L99 HydrophobicContact CD1-CG 4.18Å; I69-L99 HydrophobicContact CG1-CD1 3.96Å; I69-L99 HydrophobicContact CG1-CD2 4.29Å; I69-L99 HydrophobicContact CG1-CG 4.07Å; I69-S166 CarbonylContact O-C 3.56Å; I69-S166 VanDerWaalsContact O-CA 3.28Å; I69-S166 WeakPolarHBondContact O-CA 3.05Å; I69-I167 HydrophobicContact CB-CB 4.48Å; I69-I167 PolarHBondContact N-O 2.85Å; I69-I167 PolarHBondContact O-N 3.12Å |
| 70 | E | 93.2 | Very high | 85.6 | Confident | 94 Ų | 94 | 64 Ų | 64 | 44% | 0.439 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 158.8 | -170.8 | -65 | 177.6 | -137.2 | 0 | 0 | 112.2 | S68 L72 S166 W168 | S68-E70 PolarHBondContact OG-OE1 2.76Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.23Å; E70-S166 WeakPolarHBondContact CA-OG 3.31Å; E70-W168 HydrophobicContact CG-CH2 4.01Å; E70-W168 HydrophobicContact CG-CZ2 4.25Å; E70-W168 WeakPolarHBondContact OE1-CH2 3.41Å |
| 71 | N | 86.3 | Confident | 84.8 | Confident | 105 Ų | 105 | 64.3 Ų | 64.3 | 56% | 0.561 | 31% | 0.308 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 58.6 | 35.1 | 173.2 | -52.8 | -50.8 | 0 | 0 | 0 | 114 | Q73 S166 | N71-Q73 PolarHBondContact O-N 2.73Å; N71-S166 PolarHBondContact N-OG 2.96Å |
| 72 | L | 86.6 | Confident | 84.4 | Confident | 21 Ų | 21 | 68.9 Ų | 68.9 | 11% | 0.11 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 131.1 | 173.1 | -63.8 | 172.1 | 0 | 0 | 0 | 109.6 | I69 E70 L80 Y89 Q164 C165 I167 | I69-L72 HydrophobicContact CG2-CD1 3.99Å; I69-L72 HydrophobicContact CG2-CD2 3.67Å; I69-L72 HydrophobicContact CG2-CG 3.92Å; E70-L72 VanDerWaalsContact C-N 3.29Å; E70-L72 PolarHBondContact O-N 3.23Å; L72-L80 HydrophobicContact CD1-CD1 4.46Å; L72-Y89 HydrophobicContact CD1-CE1 3.92Å; L72-Y89 HydrophobicContact CD2-CE1 4.5Å; L72-Y89 VanDerWaalsContact CD2-OH 3.22Å; L72-Y89 WeakPolarHBondContact CD2-OH 3.35Å; L72-Q164 VanDerWaalsContact O-CA 3.31Å; L72-Q164 WeakPolarHBondContact O-CA 3.12Å; L72-C165 VanDerWaalsContact CB-O 3.27Å; L72-C165 WeakPolarHBondContact CB-O 3.43Å; L72-C165 PolarHBondContact N-O 2.77Å; L72-C165 PolarHBondContact O-N 2.86Å; L72-C165 VanDerWaalsContact O-N 3.12Å; L72-I167 HydrophobicContact CD1-CD1 3.66Å; L72-I167 HydrophobicContact CD1-CG1 4.12Å |
| 73 | Q | 80.3 | Confident | 84.2 | Confident | 153 Ų | 153 | 64.9 Ų | 64.9 | 72% | 0.715 | 32% | 0.32 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.3 | 153.9 | -178.1 | -66.6 | -163.1 | -2.3 | 0 | 0 | 112.7 | N71 E75 M76 S77 | N71-Q73 PolarHBondContact O-N 2.73Å; Q73-E75 PolarHBondContact O-N 3.27Å; Q73-E75 VanDerWaalsContact O-N 3.07Å; Q73-M76 PolarHBondContact O-N 3.07Å; Q73-S77 PolarHBondContact O-N 2.91Å |
| 74 | F | 65.9 | Low | 84 | Confident | 94 Ų | 94 | 71.1 Ų | 71.1 | 41% | 0.412 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -48.8 | -38 | -174.9 | -174.4 | -121.9 | 0 | 0 | 0 | 114.7 | M76 S77 K78 Q162 Q163 | F74-M76 VanDerWaalsContact C-N 3.3Å; F74-M76 PolarHBondContact O-N 3.42Å; F74-S77 WeakPolarHBondContact O-CB 3.31Å; F74-S77 PolarHBondContact O-N 3.23Å; F74-S77 PolarHBondContact O-OG 3Å; F74-K78 HydrophobicContact CE1-CD 4.35Å; F74-K78 PolarHBondContact O-N 3.3Å; F74-Q162 VanDerWaalsContact CD2-O 3.31Å; F74-Q162 WeakPolarHBondContact CD2-O 3.36Å; F74-Q162 WeakPolarHBondContact CE2-O 3.18Å; F74-Q163 WeakPolarHBondContact CA-O 3.34Å; F74-Q163 WeakPolarHBondContact CB-O 3.44Å; F74-Q163 PolarHBondContact N-O 2.79Å |
| 75 | E | 66.3 | Low | 83.7 | Confident | 156 Ų | 156 | 72.3 Ų | 72.3 | 73% | 0.729 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -63.7 | -38 | -178.3 | -162.3 | 134.5 | -140.3 | 0 | 0 | 111.8 | Q73 S77 K78 T79 | Q73-E75 PolarHBondContact O-N 3.27Å; Q73-E75 VanDerWaalsContact O-N 3.07Å; E75-S77 VanDerWaalsContact C-N 3.34Å; E75-K78 PolarHBondContact O-N 2.95Å; E75-T79 PolarHBondContact O-N 3.33Å |
| 76 | M | 64.9 | Low | 83.6 | Confident | 74 Ų | 74 | 69.7 Ų | 69.7 | 37% | 0.365 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -72.7 | -28.2 | 173.6 | -63 | -63.3 | -81.3 | 0 | 0 | 112.1 | Q73 F74 K78 T79 L80 Y89 | Q73-M76 PolarHBondContact O-N 3.07Å; F74-M76 VanDerWaalsContact C-N 3.3Å; F74-M76 PolarHBondContact O-N 3.42Å; M76-K78 PolarHBondContact O-N 3.11Å; M76-T79 WeakPolarHBondContact CA-OG1 3.38Å; M76-T79 PolarHBondContact O-N 2.91Å; M76-T79 PolarHBondContact O-OG1 2.92Å; M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.31Å; M76-L80 PolarHBondContact O-N 3.36Å; M76-L80 VanDerWaalsContact O-N 3.09Å; M76-Y89 HydrophobicContact CE-CD2 4.03Å; M76-Y89 HydrophobicContact CE-CE2 3.44Å; M76-Y89 VanDerWaalsContact CE-CE2 3.44Å |
| 77 | S | 63.4 | Low | 83.5 | Confident | 12 Ų | 12 | 71 Ų | 71 | 8% | 0.084 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -63.8 | -29.2 | 176 | 82.9 | 0 | 0 | 0 | 0 | 112.7 | Q73 F74 E75 Q81 K156 | Q73-S77 PolarHBondContact O-N 2.91Å; F74-S77 WeakPolarHBondContact O-CB 3.31Å; F74-S77 PolarHBondContact O-N 3.23Å; F74-S77 PolarHBondContact O-OG 3Å; E75-S77 VanDerWaalsContact C-N 3.34Å; S77-Q81 PolarHBondContact O-NE2 2.96Å; S77-Q81 VanDerWaalsContact O-NE2 3.15Å; S77-K156 PolarHBondContact O-NZ 3.48Å |
| 78 | K | 68.8 | Low | 83.4 | Confident | 128 Ų | 128 | 74.1 Ų | 74.1 | 56% | 0.557 | 38% | 0.378 | S | S | * | . | H | α-helix | trans | -80.6 | -31.4 | 176 | -71.5 | -175.3 | 177.8 | 175.5 | 0 | 113.5 | F74 E75 M76 Q81 | F74-K78 HydrophobicContact CE1-CD 4.35Å; F74-K78 PolarHBondContact O-N 3.3Å; E75-K78 PolarHBondContact O-N 2.95Å; M76-K78 PolarHBondContact O-N 3.11Å; K78-Q81 WeakPolarHBondContact O-CG 3.45Å |
| 79 | T | 74.1 | Confident | 83.3 | Confident | 75 Ų | 75 | 74.7 Ų | 74.7 | 46% | 0.46 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -76.4 | -30.1 | 176.3 | 54.8 | 0 | 0 | 0 | 0 | 111.5 | E75 M76 Q81 D85 | E75-T79 PolarHBondContact O-N 3.33Å; M76-T79 WeakPolarHBondContact CA-OG1 3.38Å; M76-T79 PolarHBondContact O-N 2.91Å; M76-T79 PolarHBondContact O-OG1 2.92Å; T79-Q81 PolarHBondContact O-N 3.05Å; T79-Q81 VanDerWaalsContact O-N 3.13Å; T79-D85 VanDerWaalsContact O-OD2 3.07Å |
| 80 | L | 79.1 | Confident | 83.4 | Confident | 8 Ų | 8 | 73.9 Ų | 73.9 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 40.8 | 178.6 | -57.6 | 178 | 0 | 0 | 0 | 113.3 | L72 M76 D85 L86 Y89 K156 I167 | L72-L80 HydrophobicContact CD1-CD1 4.46Å; M76-L80 VanDerWaalsContact O-CG 3.3Å; M76-L80 WeakPolarHBondContact O-CG 3.31Å; M76-L80 PolarHBondContact O-N 3.36Å; M76-L80 VanDerWaalsContact O-N 3.09Å; L80-D85 HydrophobicContact CD2-CB 4.23Å; L80-D85 WeakPolarHBondContact CD2-O 3.42Å; L80-L86 HydrophobicContact CD1-CD1 4.43Å; L80-Y89 HydrophobicContact CD1-CD1 4.15Å; L80-Y89 HydrophobicContact CD1-CD2 4.47Å; L80-Y89 HydrophobicContact CD1-CG 4.1Å; L80-Y89 HydrophobicContact CD2-CD2 4.16Å; L80-Y89 HydrophobicContact CD2-CG 3.89Å; L80-K156 PolarHBondContact O-NZ 3.38Å; L80-I167 HydrophobicContact CD1-CD1 3.93Å |
| 81 | Q | 78.6 | Confident | 83.5 | Confident | 100 Ų | 100 | 72 Ų | 72 | 47% | 0.467 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -38.2 | 179.4 | -72.4 | -69.8 | -40.1 | 0 | 0 | 111.9 | S77 K78 T79 R138 | S77-Q81 PolarHBondContact O-NE2 2.96Å; S77-Q81 VanDerWaalsContact O-NE2 3.15Å; K78-Q81 WeakPolarHBondContact O-CG 3.45Å; T79-Q81 PolarHBondContact O-N 3.05Å; T79-Q81 VanDerWaalsContact O-N 3.13Å; Q81-R138 PolarHBondContact O-NH1 3.01Å; Q81-R138 PolarHBondContact O-NH2 3.28Å |
| 82 | E | 89.4 | Confident | 83.9 | Confident | 116 Ų | 116 | 68.8 Ų | 68.8 | 54% | 0.542 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -82.2 | 150.2 | -179.9 | -63.7 | -56.8 | 139.2 | 0 | 0 | 112.1 | L84 D85 L86 | E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 3.1Å; E82-D85 WeakPolarHBondContact CB-OD2 3.5Å; E82-D85 PolarHBondContact O-N 3.06Å; E82-L86 PolarHBondContact O-N 3.39Å |
| 83 | P | 92.8 | Very high | 84.4 | Confident | 47 Ų | 47 | 67.9 Ų | 67.9 | 31% | 0.305 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -56.9 | -41 | 178.1 | -16 | 24.8 | 0 | 0 | 0 | 112.8 | L86 I87 L140 | P83-L86 PolarHBondContact O-N 3.18Å; P83-I87 WeakPolarHBondContact O-CG1 3.42Å; P83-I87 PolarHBondContact O-N 3.41Å; P83-I87 VanDerWaalsContact O-N 3.14Å; P83-L140 HydrophobicContact CB-CD1 3.98Å; P83-L140 HydrophobicContact CB-CD2 3.96Å; P83-L140 WeakPolarHBondContact O-CD1 3.37Å |
| 84 | L | 93.5 | Very high | 85.1 | Confident | 133 Ų | 133 | 61 Ų | 61 | 70% | 0.696 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -69.9 | -34.4 | -176 | -62.4 | 178.9 | 0 | 0 | 0 | 112.1 | E82 L86 I87 S88 | E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 3.1Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L84-I87 PolarHBondContact O-N 3Å; L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 3.4Å |
| 85 | D | 92.6 | Very high | 86.6 | Confident | 73 Ų | 73 | 63.7 Ų | 63.7 | 39% | 0.39 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.4 | -61.9 | -28.3 | 0 | 0 | 0 | 110.7 | T79 L80 E82 S88 Y89 | T79-D85 VanDerWaalsContact O-OD2 3.07Å; L80-D85 HydrophobicContact CD2-CB 4.23Å; L80-D85 WeakPolarHBondContact CD2-O 3.42Å; E82-D85 WeakPolarHBondContact CB-OD2 3.5Å; E82-D85 PolarHBondContact O-N 3.06Å; D85-S88 PolarHBondContact O-N 3.27Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.4Å; D85-Y89 PolarHBondContact O-N 2.89Å |
| 86 | L | 93.5 | Very high | 88 | Confident | 3 Ų | 3 | 61.3 Ų | 61.3 | 2% | 0.016 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65 | -42.8 | 176.1 | -176.7 | 56.8 | 0 | 0 | 0 | 112 | L80 E82 P83 L84 Y89 I90 L140 A154 K156 I167 | L80-L86 HydrophobicContact CD1-CD1 4.43Å; E82-L86 PolarHBondContact O-N 3.39Å; P83-L86 PolarHBondContact O-N 3.18Å; L84-L86 VanDerWaalsContact C-N 3.33Å; L86-Y89 PolarHBondContact O-N 2.91Å; L86-I90 HydrophobicContact CD1-CD1 4.3Å; L86-I90 HydrophobicContact CG-CD1 4.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 2.87Å; L86-I90 VanDerWaalsContact O-N 3.1Å; L86-L140 HydrophobicContact CB-CD1 4.03Å; L86-L140 HydrophobicContact CD2-CD1 3.74Å; L86-L140 HydrophobicContact CD2-CG 4.35Å; L86-L140 HydrophobicContact CG-CD1 4.18Å; L86-A154 HydrophobicContact CD2-CB 4.49Å; L86-K156 HydrophobicContact CD2-CB 4.11Å; L86-I167 HydrophobicContact CD1-CD1 3.53Å; L86-I167 HydrophobicContact CD1-CG1 3.89Å; L86-I167 HydrophobicContact CD1-CG2 4.15Å |
| 87 | I | 95.9 | Very high | 89.4 | Confident | 36 Ų | 36 | 60.8 Ų | 60.8 | 19% | 0.185 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -61.8 | -52.7 | 175.5 | -67.1 | 167.1 | 0 | 0 | 0 | 109.9 | P83 L84 Y89 I90 D91 L140 Y142 | P83-I87 WeakPolarHBondContact O-CG1 3.42Å; P83-I87 PolarHBondContact O-N 3.41Å; P83-I87 VanDerWaalsContact O-N 3.14Å; L84-I87 PolarHBondContact O-N 3Å; I87-Y89 PolarHBondContact O-N 2.77Å; I87-Y89 VanDerWaalsContact O-N 3.17Å; I87-I90 PolarHBondContact O-N 2.83Å; I87-D91 VanDerWaalsContact O-CG 3.3Å; I87-D91 PolarHBondContact O-N 3.2Å; I87-L140 HydrophobicContact CG1-CD1 4.43Å; I87-Y142 HydrophobicContact CD1-CD1 4.27Å; I87-Y142 HydrophobicContact CD1-CD2 4.3Å; I87-Y142 HydrophobicContact CD1-CG 3.98Å; I87-Y142 HydrophobicContact CG1-CD1 3.92Å; I87-Y142 HydrophobicContact CG1-CD2 4.17Å; I87-Y142 HydrophobicContact CG1-CE1 4.03Å; I87-Y142 HydrophobicContact CG1-CE2 4.28Å; I87-Y142 HydrophobicContact CG1-CG 4Å; I87-Y142 HydrophobicContact CG2-CD2 3.96Å; I87-Y142 HydrophobicContact CG2-CE2 3.73Å |
| 88 | S | 94.6 | Very high | 90.9 | Very high | 77 Ų | 77 | 66.2 Ų | 66.2 | 54% | 0.538 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.1 | -34.1 | 179.8 | -176.9 | 0 | 0 | 0 | 0 | 112.5 | L84 D85 A92 | L84-S88 WeakPolarHBondContact O-CB 3.4Å; L84-S88 PolarHBondContact O-N 3.4Å; D85-S88 PolarHBondContact O-N 3.27Å; S88-A92 WeakPolarHBondContact O-CB 3.33Å; S88-A92 PolarHBondContact O-N 2.52Å |
| 89 | Y | 94.8 | Very high | 92.3 | Very high | 46 Ų | 46 | 60.3 Ų | 60.3 | 18% | 0.18 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -70.3 | -40.3 | 176.9 | -173.2 | -94.3 | 0 | 0 | 0 | 112.6 | I69 L72 M76 L80 D85 L86 I87 A92 A93 I167 | I69-Y89 HydrophobicContact CD1-CD1 4.27Å; I69-Y89 HydrophobicContact CD1-CE1 3.76Å; I69-Y89 HydrophobicContact CG2-CE1 4.38Å; L72-Y89 HydrophobicContact CD1-CE1 3.92Å; L72-Y89 HydrophobicContact CD2-CE1 4.5Å; L72-Y89 VanDerWaalsContact CD2-OH 3.22Å; L72-Y89 WeakPolarHBondContact CD2-OH 3.35Å; M76-Y89 HydrophobicContact CE-CD2 4.03Å; M76-Y89 HydrophobicContact CE-CE2 3.44Å; M76-Y89 VanDerWaalsContact CE-CE2 3.44Å; L80-Y89 HydrophobicContact CD1-CD1 4.15Å; L80-Y89 HydrophobicContact CD1-CD2 4.47Å; L80-Y89 HydrophobicContact CD1-CG 4.1Å; L80-Y89 HydrophobicContact CD2-CD2 4.16Å; L80-Y89 HydrophobicContact CD2-CG 3.89Å; D85-Y89 VanDerWaalsContact O-CB 3.29Å; D85-Y89 WeakPolarHBondContact O-CB 3.4Å; D85-Y89 PolarHBondContact O-N 2.89Å; L86-Y89 PolarHBondContact O-N 2.91Å; I87-Y89 PolarHBondContact O-N 2.77Å; I87-Y89 VanDerWaalsContact O-N 3.17Å; Y89-A92 PolarHBondContact O-N 2.76Å; Y89-A93 WeakPolarHBondContact O-CB 3.17Å; Y89-A93 PolarHBondContact O-N 2.74Å; Y89-I167 HydrophobicContact CD1-CD1 3.62Å; Y89-I167 HydrophobicContact CE1-CD1 3.83Å |
| 90 | I | 95.9 | Very high | 93.3 | Very high | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.3 | -44.3 | 175.6 | -67 | 164.4 | 0 | 0 | 0 | 109.9 | L86 I87 A92 A93 Q94 L99 Y142 A154 I167 V169 | L86-I90 HydrophobicContact CD1-CD1 4.3Å; L86-I90 HydrophobicContact CG-CD1 4.23Å; L86-I90 WeakPolarHBondContact O-CG1 3.3Å; L86-I90 PolarHBondContact O-N 2.87Å; L86-I90 VanDerWaalsContact O-N 3.1Å; I87-I90 PolarHBondContact O-N 2.83Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.39Å; I90-A93 CarbonylContact O-C 3.59Å; I90-A93 WeakPolarHBondContact O-CB 3.42Å; I90-A93 PolarHBondContact O-N 2.9Å; I90-A93 VanDerWaalsContact O-N 3.09Å; I90-Q94 WeakPolarHBondContact O-CG 3.4Å; I90-Q94 PolarHBondContact O-N 3.44Å; I90-L99 HydrophobicContact CG2-CD1 4.17Å; I90-Y142 HydrophobicContact CD1-CE1 4.47Å; I90-Y142 VanDerWaalsContact CG2-OH 3.31Å; I90-Y142 WeakPolarHBondContact CG2-OH 3.33Å; I90-A154 HydrophobicContact CD1-CB 3.44Å; I90-A154 VanDerWaalsContact CD1-CB 3.44Å; I90-I167 HydrophobicContact CD1-CG2 4Å; I90-I167 HydrophobicContact CG1-CG2 4.13Å; I90-V169 HydrophobicContact CD1-CG2 4.04Å; I90-V169 HydrophobicContact CG1-CG2 4.3Å; I90-V169 HydrophobicContact CG2-CG2 4.24Å |
| 91 | D | 95.7 | Very high | 94 | Very high | 54 Ų | 54 | 63.4 Ų | 63.4 | 29% | 0.289 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 178.4 | -62.8 | -10.6 | 0 | 0 | 0 | 111.1 | I87 A93 Q94 Q95 | I87-D91 VanDerWaalsContact O-CG 3.3Å; I87-D91 PolarHBondContact O-N 3.2Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 PolarHBondContact O-N 2.79Å; D91-Q94 PolarHBondContact O-N 2.98Å; D91-Q95 WeakPolarHBondContact O-CG 3.24Å; D91-Q95 PolarHBondContact O-N 3.42Å |
| 92 | A | 95.6 | Very high | 94.7 | Very high | 38 Ų | 38 | 63.5 Ų | 63.5 | 31% | 0.314 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -40.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | S88 Y89 I90 Q94 Q95 D96 | S88-A92 WeakPolarHBondContact O-CB 3.33Å; S88-A92 PolarHBondContact O-N 2.52Å; Y89-A92 PolarHBondContact O-N 2.76Å; I90-A92 VanDerWaalsContact C-N 3.34Å; I90-A92 PolarHBondContact O-N 3.39Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.28Å; A92-Q95 PolarHBondContact O-N 3.12Å; A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 VanDerWaalsContact O-CG 3.26Å; A92-D96 PolarHBondContact O-N 3.01Å |
| 93 | A | 96.2 | Very high | 95 | Very high | 3 Ų | 3 | 58.4 Ų | 58.4 | 3% | 0.025 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.5 | -32.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | I69 Y89 I90 D91 G97 K98 L99 | I69-A93 HydrophobicContact CD1-CB 3.5Å; Y89-A93 WeakPolarHBondContact O-CB 3.17Å; Y89-A93 PolarHBondContact O-N 2.74Å; I90-A93 CarbonylContact O-C 3.59Å; I90-A93 WeakPolarHBondContact O-CB 3.42Å; I90-A93 PolarHBondContact O-N 2.9Å; I90-A93 VanDerWaalsContact O-N 3.09Å; D91-A93 VanDerWaalsContact C-N 3.34Å; D91-A93 PolarHBondContact O-N 2.79Å; A93-G97 PolarHBondContact O-N 3.31Å; A93-K98 HydrophobicContact CB-CB 4.25Å; A93-K98 HydrophobicContact CB-CD 4.48Å; A93-K98 WeakPolarHBondContact O-CB 3.27Å; A93-K98 PolarHBondContact O-N 2.95Å; A93-L99 HydrophobicContact CB-CD1 4.29Å; A93-L99 HydrophobicContact CB-CG 4.48Å; A93-L99 PolarHBondContact O-N 2.95Å |
| 94 | Q | 96.5 | Very high | 95 | Very high | 8 Ų | 8 | 58.6 Ų | 58.6 | 4% | 0.037 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 172.8 | -70.2 | 178.3 | -45.3 | 0 | 0 | 111.9 | I90 D91 A92 D96 G97 L99 P100 F101 | I90-Q94 WeakPolarHBondContact O-CG 3.4Å; I90-Q94 PolarHBondContact O-N 3.44Å; D91-Q94 PolarHBondContact O-N 2.98Å; A92-Q94 VanDerWaalsContact C-N 3.31Å; A92-Q94 PolarHBondContact O-N 3.28Å; Q94-D96 VanDerWaalsContact C-N 3.31Å; Q94-D96 PolarHBondContact O-N 2.99Å; Q94-G97 PolarHBondContact O-N 3.07Å; Q94-L99 WeakPolarHBondContact CA-O 3.31Å; Q94-L99 HydrophobicContact CG-CB 3.8Å; Q94-P100 PolarHBondContact NE2-O 3.27Å; Q94-P100 VanDerWaalsContact NE2-O 3.07Å; Q94-F101 HydrophobicContact CB-CD1 3.94Å; Q94-F101 HydrophobicContact CB-CD2 4.39Å; Q94-F101 HydrophobicContact CB-CE1 3.59Å; Q94-F101 HydrophobicContact CB-CE2 4.07Å; Q94-F101 HydrophobicContact CB-CG 4.33Å; Q94-F101 HydrophobicContact CB-CZ 3.67Å; Q94-F101 HydrophobicContact CG-CD1 4.47Å; Q94-F101 WeakPolarHBondContact O-CE2 3.39Å |
| 95 | Q | 96.2 | Very high | 95 | Very high | 150 Ų | 150 | 59.1 Ų | 59.1 | 70% | 0.701 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -62.3 | -38.5 | 174.6 | -69.7 | 172.8 | 18.1 | 0 | 0 | 112.4 | D91 A92 G97 F101 | D91-Q95 WeakPolarHBondContact O-CG 3.24Å; D91-Q95 PolarHBondContact O-N 3.42Å; A92-Q95 PolarHBondContact O-N 3.12Å; Q95-G97 PolarHBondContact O-N 3.38Å; Q95-F101 HydrophobicContact CG-CZ 4.19Å |
| 96 | D | 96.2 | Very high | 95 | Very high | 106 Ų | 106 | 62.1 Ų | 62.1 | 57% | 0.567 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.1 | -8 | 175.2 | -75.1 | -8.9 | 0 | 0 | 0 | 113.3 | A92 Q94 K98 | A92-D96 WeakPolarHBondContact O-CB 3.49Å; A92-D96 VanDerWaalsContact O-CG 3.26Å; A92-D96 PolarHBondContact O-N 3.01Å; Q94-D96 VanDerWaalsContact C-N 3.31Å; Q94-D96 PolarHBondContact O-N 2.99Å; D96-K98 VanDerWaalsContact C-N 3.29Å; D96-K98 HydrophobicContact CB-CD 4.24Å; D96-K98 HydrophobicContact CB-CG 4.17Å; D96-K98 PolarHBondContact O-N 3.33Å; D96-K98 IonicContact OD2-NZ 2.77Å; D96-K98 PolarHBondContact OD2-NZ 2.83Å |
| 97 | G | 94.6 | Very high | 95.1 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 65% | 0.649 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.3 | 14.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | A93 Q94 Q95 | A93-G97 PolarHBondContact O-N 3.31Å; Q94-G97 PolarHBondContact O-N 3.07Å; Q95-G97 PolarHBondContact O-N 3.38Å |
| 98 | K | 95.4 | Very high | 95.2 | Very high | 126 Ų | 126 | 64.9 Ų | 64.9 | 55% | 0.548 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -75.3 | -28.7 | 173.6 | -64.5 | 170 | -176.9 | 142 | 0 | 111.9 | A93 D96 | A93-K98 HydrophobicContact CB-CB 4.25Å; A93-K98 HydrophobicContact CB-CD 4.48Å; A93-K98 WeakPolarHBondContact O-CB 3.27Å; A93-K98 PolarHBondContact O-N 2.95Å; D96-K98 VanDerWaalsContact C-N 3.29Å; D96-K98 HydrophobicContact CB-CD 4.24Å; D96-K98 HydrophobicContact CB-CG 4.17Å; D96-K98 PolarHBondContact O-N 3.33Å; D96-K98 IonicContact OD2-NZ 2.77Å; D96-K98 PolarHBondContact OD2-NZ 2.83Å |
| 99 | L | 96.7 | Very high | 95.3 | Very high | 5 Ų | 5 | 61.7 Ų | 61.7 | 3% | 0.026 | 35% | 0.345 | C | S | . | . | S | Bend | trans | -126 | 144.2 | 172.3 | -71 | 176.4 | 0 | 0 | 0 | 109.5 | I69 I90 A93 Q94 V169 | I69-L99 HydrophobicContact CD1-CD1 3.73Å; I69-L99 HydrophobicContact CD1-CG 4.18Å; I69-L99 HydrophobicContact CG1-CD1 3.96Å; I69-L99 HydrophobicContact CG1-CD2 4.29Å; I69-L99 HydrophobicContact CG1-CG 4.07Å; I90-L99 HydrophobicContact CG2-CD1 4.17Å; A93-L99 HydrophobicContact CB-CD1 4.29Å; A93-L99 HydrophobicContact CB-CG 4.48Å; A93-L99 PolarHBondContact O-N 2.95Å; Q94-L99 WeakPolarHBondContact CA-O 3.31Å; Q94-L99 HydrophobicContact CG-CB 3.8Å; L99-V169 HydrophobicContact CD1-CG2 4.05Å |
| 100 | P | 96.4 | Very high | 95.5 | Very high | 61 Ų | 61 | 59.5 Ų | 59.5 | 40% | 0.396 | 34% | 0.336 | S | S | . | . | trans | -72.3 | 150.8 | 171.3 | 31.1 | -33.7 | 0 | 0 | 0 | 111 | V66 Q94 | V66-P100 HydrophobicContact CG1-CG 4.06Å; V66-P100 VanDerWaalsContact CG1-O 3.31Å; V66-P100 WeakPolarHBondContact CG1-O 3.28Å; V66-P100 VanDerWaalsContact O-CD 3.24Å; V66-P100 WeakPolarHBondContact O-CD 3.5Å; V66-P100 WeakPolarHBondContact O-CG 3.43Å; Q94-P100 PolarHBondContact NE2-O 3.27Å; Q94-P100 VanDerWaalsContact NE2-O 3.07Å | ||
| 101 | F | 93.7 | Very high | 95.5 | Very high | 86 Ų | 86 | 59.6 Ų | 59.6 | 38% | 0.377 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -71.1 | -35 | 170.1 | -76.4 | -80 | 0 | 0 | 0 | 112.2 | Q94 Q95 L146 | Q94-F101 HydrophobicContact CB-CD1 3.94Å; Q94-F101 HydrophobicContact CB-CD2 4.39Å; Q94-F101 HydrophobicContact CB-CE1 3.59Å; Q94-F101 HydrophobicContact CB-CE2 4.07Å; Q94-F101 HydrophobicContact CB-CG 4.33Å; Q94-F101 HydrophobicContact CB-CZ 3.67Å; Q94-F101 HydrophobicContact CG-CD1 4.47Å; Q94-F101 WeakPolarHBondContact O-CE2 3.39Å; Q95-F101 HydrophobicContact CG-CZ 4.19Å; F101-L146 HydrophobicContact CB-CD1 4.1Å; F101-L146 HydrophobicContact CD1-CD1 4.25Å; F101-L146 HydrophobicContact CD1-CD2 4.13Å |
| 102 | V | 93.7 | Very high | 95.6 | Very high | 103 Ų | 103 | 57 Ų | 57 | 62% | 0.624 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -122.5 | 124.3 | -177.8 | -176.4 | 0 | 0 | 0 | 0 | 108.3 | ||
| 103 | P | 95 | Very high | 95.6 | Very high | 8 Ų | 8 | 56.2 Ų | 56.2 | 5% | 0.052 | 32% | 0.315 | C | S | . | . | trans | -67.5 | 165.4 | 176.6 | 29.5 | -35 | 0 | 0 | 0 | 111.6 | K64 Y65 V66 Q171 | K64-P103 HydrophobicContact CB-CB 3.99Å; K64-P103 HydrophobicContact CB-CG 3.85Å; K64-P103 HydrophobicContact CD-CG 4.19Å; Y65-P103 VanDerWaalsContact O-CB 3.25Å; Y65-P103 WeakPolarHBondContact O-CB 3.43Å; V66-P103 HydrophobicContact CG2-CB 3.93Å; V66-P103 HydrophobicContact CG2-CG 4.13Å; P103-Q171 HydrophobicContact CG-CB 3.88Å; P103-Q171 HydrophobicContact CG-CG 4.4Å | ||
| 104 | G | 92.8 | Very high | 95.4 | Very high | 51 Ų | 51 | 60.8 Ų | 60.8 | 53% | 0.526 | 34% | 0.335 | S | S | . | . | trans | -63.5 | 175.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | K64 E106 | K64-G104 WeakPolarHBondContact CD-O 3.48Å; G104-E106 VanDerWaalsContact C-N 3.31Å | ||
| 105 | D | 92.4 | Very high | 95.3 | Very high | 145 Ų | 145 | 67 Ų | 67 | 78% | 0.775 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -80.4 | -12.5 | -179.6 | -77.1 | -36.2 | 0 | 0 | 0 | 114.8 | K64 E107 | K64-D105 IonicContact NZ-OD1 2.98Å; K64-D105 PolarHBondContact NZ-OD1 3.42Å; D105-E107 PolarHBondContact O-N 2.94Å |
| 106 | E | 93.4 | Very high | 95.3 | Very high | 135 Ų | 135 | 60 Ų | 60 | 63% | 0.631 | 33% | 0.331 | S | S | * | . | trans | -67.2 | 123.6 | 179.2 | -168.8 | 175.3 | 178.8 | 0 | 0 | 111.6 | G104 | G104-E106 VanDerWaalsContact C-N 3.31Š| ||
| 107 | E | 96.3 | Very high | 95.4 | Very high | 80 Ų | 80 | 55.1 Ų | 55.1 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 154.7 | 171 | -64.9 | -168.7 | 154.5 | 0 | 0 | 110.9 | R62 V63 K64 D105 V122 | R62-E107 IonicContact NH1-OE2 3.13Å; R62-E107 PolarHBondContact NH1-OE2 3.12Å; R62-E107 VanDerWaalsContact NH1-OE2 3.13Å; V63-E107 CarbonylContact O-C 3.53Å; V63-E107 WeakPolarHBondContact O-CA 3.37Å; K64-E107 HydrophobicContact CG-CG 4.48Å; D105-E107 PolarHBondContact O-N 2.94Å; E107-V122 HydrophobicContact CB-CG2 3.96Å; E107-V122 WeakPolarHBondContact O-CG2 3.49Å |
| 108 | M | 96.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 55 Ų | 55 | 9% | 0.089 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 156.8 | 175.1 | -63.2 | -174.7 | 169.4 | 0 | 0 | 109.7 | R62 V63 Y65 V119 A120 L128 | R62-M108 WeakPolarHBondContact CA-O 3.47Å; V63-M108 PolarHBondContact N-O 2.95Å; V63-M108 PolarHBondContact O-N 2.85Å; Y65-M108 HydrophobicContact CG-SD 4.29Å; M108-V119 HydrophobicContact CB-CG1 3.97Å; M108-V119 HydrophobicContact SD-CG1 3.82Å; M108-A120 WeakPolarHBondContact CA-O 3.32Å; M108-A120 WeakPolarHBondContact CB-O 3.35Å; M108-L128 HydrophobicContact CE-CD1 3.2Å; M108-L128 HydrophobicContact CG-CD1 4.26Å; M108-L128 HydrophobicContact SD-CD1 3.42Å; M108-L128 WeakPolarHBondContact SD-CD1 3.41Å |
| 109 | V | 97.8 | Very high | 95.6 | Very high | 9 Ų | 9 | 49 Ų | 49 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 112 | 174 | 178.1 | 0 | 0 | 0 | 0 | 108.9 | E60 V119 A120 | E60-V109 HydrophobicContact CB-CG1 3.95Å; E60-V109 HydrophobicContact CG-CG1 4.17Å; V109-V119 WeakPolarHBondContact O-CA 3.19Å; V109-A120 PolarHBondContact N-O 3.15Å; V109-A120 PolarHBondContact O-N 3.28Å |
| 110 | L | 97.9 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 107.3 | 171.3 | -171.8 | 158 | 0 | 0 | 0 | 108.8 | F61 V63 V112 V117 K118 V119 L153 Y170 I181 | F61-L110 HydrophobicContact CD2-CD2 4.49Å; F61-L110 PolarHBondContact N-O 3.49Å; F61-L110 PolarHBondContact O-N 2.6Å; V63-L110 HydrophobicContact CG1-CB 4.3Å; V63-L110 HydrophobicContact CG2-CB 3.72Å; V63-L110 HydrophobicContact CG2-CD1 4.14Å; L110-V112 HydrophobicContact CD2-CG2 3.45Å; L110-V112 VanDerWaalsContact CD2-CG2 3.45Å; L110-V117 HydrophobicContact CD1-CG1 4.22Å; L110-V117 HydrophobicContact CD2-CG1 3.79Å; L110-V117 HydrophobicContact CG-CG1 3.76Å; L110-K118 CarbonylContact C-O 3.58Å; L110-K118 WeakPolarHBondContact CA-O 3.36Å; L110-V119 HydrophobicContact CG-CG2 4.3Å; L110-L153 HydrophobicContact CD1-CD2 3.98Å; L110-Y170 HydrophobicContact CD1-CD1 4.47Å; L110-Y170 HydrophobicContact CD1-CD2 4.21Å; L110-Y170 HydrophobicContact CD1-CE2 4.42Å; L110-Y170 HydrophobicContact CD1-CG 4.24Å; L110-I181 HydrophobicContact CD2-CG2 4.13Å |
| 111 | G | 97 | Very high | 95.6 | Very high | 2 Ų | 2 | 46.6 Ų | 46.6 | 2% | 0.021 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 128.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A59 V117 K118 | A59-G111 CarbonylContact O-C 3.53Å; A59-G111 WeakPolarHBondContact O-CA 3.32Å; G111-V117 CarbonylContact O-C 3.56Å; G111-V117 WeakPolarHBondContact O-CA 3.36Å; G111-K118 PolarHBondContact N-O 2.89Å; G111-K118 PolarHBondContact O-N 2.83Å |
| 112 | V | 97.6 | Very high | 95.7 | Very high | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 130 | 174.2 | -170.7 | 0 | 0 | 0 | 0 | 109.4 | A59 F61 L110 V117 I181 V184 L185 | A59-V112 PolarHBondContact N-O 2.83Å; A59-V112 PolarHBondContact O-N 2.76Å; F61-V112 HydrophobicContact CD2-CG2 4.4Å; F61-V112 HydrophobicContact CE2-CG2 4.21Å; L110-V112 HydrophobicContact CD2-CG2 3.45Å; L110-V112 VanDerWaalsContact CD2-CG2 3.45Å; V112-V117 HydrophobicContact CG2-CG2 4.41Å; V112-I181 HydrophobicContact CG2-CG2 4.11Å; V112-V184 HydrophobicContact CB-CG1 3.89Å; V112-V184 HydrophobicContact CG1-CB 4.37Å; V112-V184 HydrophobicContact CG1-CG1 3.8Å; V112-L185 HydrophobicContact CG1-CB 4Å; V112-L185 HydrophobicContact CG1-CD1 3.99Å |
| 113 | S | 94.9 | Very high | 95.6 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 14% | 0.14 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 178.9 | 177.4 | 71.8 | 0 | 0 | 0 | 0 | 111.4 | H115 G116 | S113-H115 PolarHBondContact O-N 3.4Å; S113-H115 PolarHBondContact OG-N 3.06Å; S113-G116 PolarHBondContact N-O 2.76Å; S113-G116 PolarHBondContact O-N 3.19Å |
| 114 | K | 93 | Very high | 95.3 | Very high | 100 Ų | 100 | 49.7 Ų | 49.7 | 44% | 0.435 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -19.5 | 170.9 | 71 | -175.3 | -179.7 | -167.6 | 0 | 114.6 | S55 L133 | S55-K114 PolarHBondContact O-NZ 3.18Å; K114-L133 WeakPolarHBondContact O-CD2 3.4Å |
| 115 | H | 93.8 | Very high | 95.1 | Very high | 138 Ų | 138 | 51.5 Ų | 51.5 | 64% | 0.639 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.9 | -14.5 | 177.6 | -55.9 | 104.1 | 0 | 0 | 0 | 113.1 | S113 L133 | S113-H115 PolarHBondContact O-N 3.4Å; S113-H115 PolarHBondContact OG-N 3.06Å; H115-L133 PolarHBondContact O-N 3.33Å |
| 116 | G | 96 | Very high | 95.2 | Very high | 3 Ų | 3 | 49.8 Ų | 49.8 | 3% | 0.031 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 123.5 | -148.7 | -176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S113 H131 | S113-G116 PolarHBondContact N-O 2.76Å; S113-G116 PolarHBondContact O-N 3.19Å; G116-H131 WeakPolarHBondContact CA-O 3.37Å |
| 117 | V | 97.9 | Very high | 95.3 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.024 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 126.9 | -178.3 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | L110 G111 V112 V119 H131 I136 L155 L185 | L110-V117 HydrophobicContact CD1-CG1 4.22Å; L110-V117 HydrophobicContact CD2-CG1 3.79Å; L110-V117 HydrophobicContact CG-CG1 3.76Å; G111-V117 CarbonylContact O-C 3.56Å; G111-V117 WeakPolarHBondContact O-CA 3.36Å; V112-V117 HydrophobicContact CG2-CG2 4.41Å; V117-V119 HydrophobicContact CG1-CG2 4.39Å; V117-H131 HydrophobicContact CB-CB 4.23Å; V117-H131 PolarHBondContact N-O 2.86Å; V117-H131 PolarHBondContact O-N 3.15Å; V117-I136 HydrophobicContact CB-CD1 4.41Å; V117-I136 HydrophobicContact CG2-CD1 3.82Å; V117-L155 HydrophobicContact CB-CD2 4.49Å; V117-L185 HydrophobicContact CG2-CD1 4.17Å |
| 118 | K | 97.6 | Very high | 95.3 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 26% | 0.261 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 132.4 | 174.2 | -178.3 | -173.3 | 66.7 | 169.7 | 0 | 108.4 | L110 G111 V127 H129 R130 | L110-K118 CarbonylContact C-O 3.58Å; L110-K118 WeakPolarHBondContact CA-O 3.36Å; G111-K118 PolarHBondContact N-O 2.89Å; G111-K118 PolarHBondContact O-N 2.83Å; K118-V127 HydrophobicContact CD-CG1 4.47Å; K118-V127 HydrophobicContact CD-CG2 4.46Å; K118-V127 HydrophobicContact CG-CG1 4.02Å; K118-H129 WeakPolarHBondContact CA-O 3.23Å; K118-R130 HydrophobicContact CG-CG 4.33Å |
| 119 | V | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 126.8 | 172.3 | -173 | 0 | 0 | 0 | 0 | 108.4 | M108 V109 L110 V117 L128 H129 Y170 | M108-V119 HydrophobicContact CB-CG1 3.97Å; M108-V119 HydrophobicContact SD-CG1 3.82Å; V109-V119 WeakPolarHBondContact O-CA 3.19Å; L110-V119 HydrophobicContact CG-CG2 4.3Å; V117-V119 HydrophobicContact CG1-CG2 4.39Å; V119-L128 PolarHBondContact O-N 3.33Å; V119-H129 HydrophobicContact CB-CB 4.23Å; V119-H129 HydrophobicContact CG2-CB 4.49Å; V119-H129 PolarHBondContact N-O 3.15Å; V119-H129 PolarHBondContact O-N 2.97Å; V119-H129 VanDerWaalsContact O-N 3.12Å; V119-Y170 HydrophobicContact CG1-CE1 4.23Å; V119-Y170 HydrophobicContact CG2-CE1 3.89Å |
| 120 | A | 97.1 | Very high | 95.2 | Very high | 2 Ų | 2 | 56.1 Ų | 56.1 | 2% | 0.017 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 163.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | M108 V109 D126 V127 | M108-A120 WeakPolarHBondContact CA-O 3.32Å; M108-A120 WeakPolarHBondContact CB-O 3.35Å; V109-A120 PolarHBondContact N-O 3.15Å; V109-A120 PolarHBondContact O-N 3.28Å; A120-D126 CarbonylContact C-O 3.51Å; A120-D126 WeakPolarHBondContact CA-O 3.12Å; A120-D126 WeakPolarHBondContact CB-O 3.23Å; A120-V127 HydrophobicContact CB-CG2 4.41Å |
| 121 | S | 95.8 | Very high | 95.1 | Very high | 14 Ų | 14 | 56.6 Ų | 56.6 | 10% | 0.098 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 160.1 | 167.4 | 58 | 0 | 0 | 0 | 0 | 111.5 | D123 Q124 C125 D126 | S121-D123 VanDerWaalsContact C-N 3.27Å; S121-D123 VanDerWaalsContact CB-OD1 3.24Å; S121-D123 WeakPolarHBondContact CB-OD1 3.49Å; S121-D123 PolarHBondContact O-N 2.82Å; S121-D123 PolarHBondContact OG-OD1 2.97Å; S121-Q124 WeakPolarHBondContact O-CA 3.3Å; S121-Q124 PolarHBondContact O-N 3.03Å; S121-C125 PolarHBondContact OG-N 3.11Å; S121-D126 PolarHBondContact N-O 3.48Å; S121-D126 PolarHBondContact OG-N 2.89Å; S121-D126 PolarHBondContact OG-O 3.43Å |
| 122 | V | 94.6 | Very high | 95.1 | Very high | 58 Ų | 58 | 58.5 Ų | 58.5 | 35% | 0.352 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -35.5 | -178.3 | 180 | 0 | 0 | 0 | 0 | 112.9 | R62 E107 Q124 | R62-V122 VanDerWaalsContact NH1-CG1 3.32Å; E107-V122 HydrophobicContact CB-CG2 3.96Å; E107-V122 WeakPolarHBondContact O-CG2 3.49Å; V122-Q124 PolarHBondContact O-N 3.13Å |
| 123 | D | 93.1 | Very high | 95 | Very high | 107 Ų | 107 | 59.2 Ų | 59.2 | 57% | 0.572 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.7 | -4 | 176 | 66.3 | -6.7 | 0 | 0 | 0 | 113.1 | S121 C125 | S121-D123 VanDerWaalsContact C-N 3.27Å; S121-D123 VanDerWaalsContact CB-OD1 3.24Å; S121-D123 WeakPolarHBondContact CB-OD1 3.49Å; S121-D123 PolarHBondContact O-N 2.82Å; S121-D123 PolarHBondContact OG-OD1 2.97Å; D123-C125 PolarHBondContact O-N 2.94Å; D123-C125 VanDerWaalsContact O-N 3.16Å; D123-C125 WeakPolarHBondContact OD1-CB 3.48Å; D123-C125 PolarHBondContact OD1-N 3.31Å; D123-C125 VanDerWaalsContact OD1-N 3.1Å; D123-C125 PolarHBondContact OD2-SG 3.4Å |
| 124 | Q | 87.8 | Confident | 95 | Very high | 97 Ų | 97 | 66.4 Ų | 66.4 | 45% | 0.453 | 33% | 0.326 | S | S | . | . | S | Bend | trans | 58.8 | 16 | -176.8 | -48.2 | -167.6 | 14.7 | 0 | 0 | 114.6 | E60 S121 V122 | E60-Q124 PolarHBondContact OE2-NE2 2.83Å; S121-Q124 WeakPolarHBondContact O-CA 3.3Å; S121-Q124 PolarHBondContact O-N 3.03Å; V122-Q124 PolarHBondContact O-N 3.13Å |
| 125 | C | 89.1 | Confident | 95.1 | Very high | 89 Ų | 89 | 63 Ų | 63 | 60% | 0.601 | 31% | 0.313 | S | S | * | . | trans | -73.5 | -40.9 | 176.8 | -65.7 | 0 | 0 | 0 | 0 | 111.3 | S121 D123 | S121-C125 PolarHBondContact OG-N 3.11Å; D123-C125 PolarHBondContact O-N 2.94Å; D123-C125 VanDerWaalsContact O-N 3.16Å; D123-C125 WeakPolarHBondContact OD1-CB 3.48Å; D123-C125 PolarHBondContact OD1-N 3.31Å; D123-C125 VanDerWaalsContact OD1-N 3.1Å; D123-C125 PolarHBondContact OD2-SG 3.4Å | ||
| 126 | D | 94.1 | Very high | 95.2 | Very high | 108 Ų | 108 | 57 Ų | 57 | 58% | 0.578 | 29% | 0.285 | S | S | * | . | trans | -112.9 | 118 | -173.9 | -68.1 | -33.6 | 0 | 0 | 0 | 111.3 | A120 S121 | A120-D126 CarbonylContact C-O 3.51Å; A120-D126 WeakPolarHBondContact CA-O 3.12Å; A120-D126 WeakPolarHBondContact CB-O 3.23Å; S121-D126 PolarHBondContact N-O 3.48Å; S121-D126 PolarHBondContact OG-N 2.89Å; S121-D126 PolarHBondContact OG-O 3.43Å | ||
| 127 | V | 96.1 | Very high | 95.1 | Very high | 67 Ų | 67 | 60.1 Ų | 60.1 | 41% | 0.406 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 110.9 | 171.9 | -178.8 | 0 | 0 | 0 | 0 | 108.9 | K118 A120 R130 | K118-V127 HydrophobicContact CD-CG1 4.47Å; K118-V127 HydrophobicContact CD-CG2 4.46Å; K118-V127 HydrophobicContact CG-CG1 4.02Å; A120-V127 HydrophobicContact CB-CG2 4.41Å; V127-R130 HydrophobicContact CG1-CG 3.84Å |
| 128 | L | 94.9 | Very high | 94.9 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 42% | 0.419 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | -47.9 | -177 | -63.2 | 164.7 | 0 | 0 | 0 | 111.2 | M108 V119 | M108-L128 HydrophobicContact CE-CD1 3.2Å; M108-L128 HydrophobicContact CG-CD1 4.26Å; M108-L128 HydrophobicContact SD-CD1 3.42Å; M108-L128 WeakPolarHBondContact SD-CD1 3.41Å; V119-L128 PolarHBondContact O-N 3.33Å |
| 129 | H | 95.6 | Very high | 94.8 | Very high | 45 Ų | 45 | 62.5 Ų | 62.5 | 21% | 0.208 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.9 | 144.2 | -176.7 | -55.2 | -58.3 | 0 | 0 | 0 | 112 | K118 V119 H131 W168 | K118-H129 WeakPolarHBondContact CA-O 3.23Å; V119-H129 HydrophobicContact CB-CB 4.23Å; V119-H129 HydrophobicContact CG2-CB 4.49Å; V119-H129 PolarHBondContact N-O 3.15Å; V119-H129 PolarHBondContact O-N 2.97Å; V119-H129 VanDerWaalsContact O-N 3.12Å; H129-H131 WeakPolarHBondContact CB-NE2 3.44Å; H129-W168 AromaticContact CE1-CZ3 3.39Å; H129-W168 WeakPolarHBondContact CE1-CZ3 3.28Å; H129-W168 AromaticContact ND1-CH2 3.97Å; H129-W168 AromaticContact ND1-CZ3 3.65Å; H129-W168 AromaticContact NE2-CZ3 3.71Å |
| 130 | R | 96.7 | Very high | 94.8 | Very high | 183 Ų | 183 | 63.8 Ų | 63.8 | 69% | 0.691 | 32% | 0.319 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 118.3 | 164.8 | -70.6 | -174.3 | 177.5 | -153.3 | 1.1 | 107.8 | K118 V127 P132 | K118-R130 HydrophobicContact CG-CG 4.33Å; V127-R130 HydrophobicContact CG1-CG 3.84Å; R130-P132 WeakPolarHBondContact O-CD 3.22Å |
| 131 | H | 97.2 | Very high | 94.7 | Very high | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.056 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 96.1 | 176.6 | -54.1 | -58.2 | 0 | 0 | 0 | 107.8 | G116 V117 H129 I136 L155 T157 W168 Y170 | G116-H131 WeakPolarHBondContact CA-O 3.37Å; V117-H131 HydrophobicContact CB-CB 4.23Å; V117-H131 PolarHBondContact N-O 2.86Å; V117-H131 PolarHBondContact O-N 3.15Å; H129-H131 WeakPolarHBondContact CB-NE2 3.44Å; H131-I136 HydrophobicContact CB-CD1 4.3Å; H131-I136 HydrophobicContact CB-CG1 4.24Å; H131-L155 HydrophobicContact CB-CD2 4.01Å; H131-L155 VanDerWaalsContact CD2-CD2 3.47Å; H131-L155 WeakPolarHBondContact CD2-CD2 3.47Å; H131-T157 HydrophobicContact CB-CG2 4.2Å; H131-W168 AromaticContact CE1-CD1 3.76Å; H131-W168 AromaticContact CE1-CD2 3.49Å; H131-W168 VanDerWaalsContact CE1-CD2 3.49Å; H131-W168 AromaticContact CE1-CE2 3.29Å; H131-W168 AromaticContact CE1-CG 3.83Å; H131-W168 AromaticContact CE1-CZ2 3.73Å; H131-W168 AromaticContact CE1-NE1 3.42Å; H131-W168 PolarHBondContact CE1-NE1 2.93Å; H131-W168 AromaticContact ND1-CE2 3.97Å; H131-W168 AromaticContact ND1-NE1 3.74Å; H131-W168 AromaticContact NE2-CD2 3.94Å; H131-Y170 PolarHBondContact NE2-OH 2.86Å |
| 132 | P | 96.6 | Very high | 94.7 | Very high | 41 Ų | 41 | 66.5 Ų | 66.5 | 27% | 0.266 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -59.4 | 141.8 | -179.6 | -22.3 | 33.6 | 0 | 0 | 0 | 111.4 | R130 Y134 L135 I136 | R130-P132 WeakPolarHBondContact O-CD 3.22Å; P132-Y134 HydrophobicContact CB-CD1 3.62Å; P132-Y134 HydrophobicContact CB-CE1 3.3Å; P132-Y134 HydrophobicContact CG-CE1 4.08Å; P132-Y134 PolarHBondContact O-N 2.92Å; P132-Y134 VanDerWaalsContact O-N 3.11Å; P132-L135 HydrophobicContact CB-CG 4.48Å; P132-L135 HydrophobicContact CG-CD1 4.11Å; P132-L135 PolarHBondContact O-N 2.76Å; P132-I136 PolarHBondContact O-N 2.96Å |
| 133 | L | 95.7 | Very high | 94.8 | Very high | 15 Ų | 15 | 67.6 Ų | 67.6 | 8% | 0.079 | 34% | 0.337 | C | S | . | . | G | 310 helix | trans | -53.7 | -39 | -174.6 | -167.6 | 66.2 | 0 | 0 | 0 | 112.7 | K114 H115 L135 I136 L185 F189 A192 | K114-L133 WeakPolarHBondContact O-CD2 3.4Å; H115-L133 PolarHBondContact O-N 3.33Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.81Å; L133-I136 PolarHBondContact O-N 3.09Å; L133-L185 HydrophobicContact CD1-CD1 3.64Å; L133-F189 HydrophobicContact CD1-CD1 3.81Å; L133-F189 HydrophobicContact CD1-CD2 4.29Å; L133-F189 HydrophobicContact CD1-CE1 3.55Å; L133-F189 HydrophobicContact CD1-CE2 4.06Å; L133-F189 HydrophobicContact CD1-CG 4.18Å; L133-F189 HydrophobicContact CD1-CZ 3.69Å; L133-F189 HydrophobicContact CD2-CD1 4.16Å; L133-F189 HydrophobicContact CD2-CE1 4.46Å; L133-F189 HydrophobicContact CG-CD1 3.81Å; L133-F189 HydrophobicContact CG-CE1 3.62Å; L133-F189 HydrophobicContact CG-CZ 4.25Å; L133-F189 WeakPolarHBondContact O-CE1 3.33Å; L133-A192 HydrophobicContact CD2-CB 3.93Å |
| 134 | Y | 94.6 | Very high | 94.8 | Very high | 171 Ų | 171 | 63.5 Ų | 63.5 | 67% | 0.671 | 32% | 0.315 | S | S | * | . | G | 310 helix | trans | -72.7 | -13.2 | -178.7 | 73.5 | -87.9 | 0 | 0 | 0 | 114.9 | P132 | P132-Y134 HydrophobicContact CB-CD1 3.62Å; P132-Y134 HydrophobicContact CB-CE1 3.3Å; P132-Y134 HydrophobicContact CG-CE1 4.08Å; P132-Y134 PolarHBondContact O-N 2.92Å; P132-Y134 VanDerWaalsContact O-N 3.11Å |
| 135 | L | 95.4 | Very high | 95 | Very high | 29 Ų | 29 | 61.9 Ų | 61.9 | 15% | 0.152 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -98.9 | -10.2 | 175.9 | -66 | -176.2 | 0 | 0 | 0 | 112.6 | P132 L133 V137 T157 T158 T160 | P132-L135 HydrophobicContact CB-CG 4.48Å; P132-L135 HydrophobicContact CG-CD1 4.11Å; P132-L135 PolarHBondContact O-N 2.76Å; L133-L135 VanDerWaalsContact C-N 3.28Å; L133-L135 PolarHBondContact O-N 2.81Å; L135-V137 PolarHBondContact O-N 2.87Å; L135-T157 CarbonylContact O-C 3.55Å; L135-T157 VanDerWaalsContact O-CA 3.31Å; L135-T157 WeakPolarHBondContact O-CA 3.3Å; L135-T158 PolarHBondContact O-N 2.93Å; L135-T160 HydrophobicContact CD2-CG2 4.5Å |
| 136 | I | 95.6 | Very high | 95.1 | Very high | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 118 | 176.9 | -64.6 | 171.3 | 0 | 0 | 0 | 108.3 | V117 H131 P132 L133 L155 T157 L185 F189 | V117-I136 HydrophobicContact CB-CD1 4.41Å; V117-I136 HydrophobicContact CG2-CD1 3.82Å; H131-I136 HydrophobicContact CB-CD1 4.3Å; H131-I136 HydrophobicContact CB-CG1 4.24Å; P132-I136 PolarHBondContact O-N 2.96Å; L133-I136 PolarHBondContact O-N 3.09Å; I136-L155 HydrophobicContact CD1-CD1 4.23Å; I136-L155 HydrophobicContact CG1-CD1 4.16Å; I136-L155 HydrophobicContact CG2-CD1 3.62Å; I136-T157 HydrophobicContact CG1-CG2 4.3Å; I136-L185 HydrophobicContact CD1-CD1 4.21Å; I136-L185 HydrophobicContact CG2-CD2 4.35Å; I136-F189 HydrophobicContact CB-CZ 4Å; I136-F189 HydrophobicContact CG2-CE2 4.39Å; I136-F189 HydrophobicContact CG2-CZ 3.94Å |
| 137 | V | 93.6 | Very high | 94.9 | Very high | 69 Ų | 69 | 60.5 Ų | 60.5 | 42% | 0.418 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | -43.6 | 176.7 | 179.2 | 0 | 0 | 0 | 0 | 110 | L135 K156 T158 | L135-V137 PolarHBondContact O-N 2.87Å; V137-K156 HydrophobicContact CB-CD 4.29Å; V137-K156 HydrophobicContact CB-CG 4.22Å; V137-K156 HydrophobicContact CG1-CD 4.16Å; V137-K156 PolarHBondContact N-O 3.02Å; V137-T158 HydrophobicContact CG2-CG2 3.71Å |
| 138 | R | 94 | Very high | 94.5 | Very high | 88 Ų | 88 | 60.6 Ų | 60.6 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.8 | 152.6 | -178.6 | -174.5 | 171.5 | -66.2 | -167.5 | 0.2 | 111.2 | Q81 L140 K156 | Q81-R138 PolarHBondContact O-NH1 3.01Å; Q81-R138 PolarHBondContact O-NH2 3.28Å; R138-L140 HydrophobicContact CG-CD2 4.06Å; R138-L140 HydrophobicContact CG-CG 4.16Å; R138-K156 PolarHBondContact N-O 3.39Å; R138-K156 PolarHBondContact O-N 3.4Å |
| 139 | M | 96.7 | Very high | 94.2 | Very high | 26 Ų | 26 | 58.7 Ų | 58.7 | 13% | 0.128 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 135.2 | 163.1 | -168.6 | 167.2 | 71.7 | 0 | 0 | 109.5 | L153 A154 L155 I181 C182 L185 | M139-L153 HydrophobicContact CE-CD1 4.15Å; M139-L153 HydrophobicContact CG-CD1 3.67Å; M139-L153 HydrophobicContact CG-CD2 4.4Å; M139-L153 HydrophobicContact CG-CG 3.91Å; M139-L153 HydrophobicContact SD-CD1 3.81Å; M139-L153 HydrophobicContact SD-CD2 3.76Å; M139-L153 HydrophobicContact SD-CG 3.93Å; M139-A154 CarbonylContact C-O 3.53Å; M139-A154 WeakPolarHBondContact CA-O 3.25Å; M139-L155 HydrophobicContact CB-CD1 3.91Å; M139-L155 HydrophobicContact CG-CD1 4.09Å; M139-L155 HydrophobicContact SD-CD1 4.15Å; M139-I181 HydrophobicContact CE-CG2 3.67Å; M139-I181 HydrophobicContact SD-CG2 4.08Å; M139-C182 VanDerWaalsContact CE-CA 3.42Å; M139-C182 HydrophobicContact CE-CB 4.18Å; M139-L185 HydrophobicContact CB-CD2 3.7Å; M139-L185 HydrophobicContact CE-CB 3.61Å; M139-L185 HydrophobicContact CE-CD2 3.39Å; M139-L185 HydrophobicContact CE-CG 4.13Å; M139-L185 HydrophobicContact CG-CD2 4.33Å; M139-L185 HydrophobicContact SD-CD2 3.64Å |
| 140 | L | 95.8 | Very high | 94.1 | Very high | 26 Ų | 26 | 60.3 Ų | 60.3 | 14% | 0.136 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 141.6 | 177.2 | -64.4 | 179.3 | 0 | 0 | 0 | 109.6 | P83 L86 I87 R138 L153 A154 | P83-L140 HydrophobicContact CB-CD1 3.98Å; P83-L140 HydrophobicContact CB-CD2 3.96Å; P83-L140 WeakPolarHBondContact O-CD1 3.37Å; L86-L140 HydrophobicContact CB-CD1 4.03Å; L86-L140 HydrophobicContact CD2-CD1 3.74Å; L86-L140 HydrophobicContact CD2-CG 4.35Å; L86-L140 HydrophobicContact CG-CD1 4.18Å; I87-L140 HydrophobicContact CG1-CD1 4.43Å; R138-L140 HydrophobicContact CG-CD2 4.06Å; R138-L140 HydrophobicContact CG-CG 4.16Å; L140-L153 CarbonylContact O-C 3.53Å; L140-L153 VanDerWaalsContact O-CA 3.31Å; L140-L153 WeakPolarHBondContact O-CA 3.42Å; L140-A154 HydrophobicContact CB-CB 4.46Å; L140-A154 PolarHBondContact N-O 3.39Å; L140-A154 PolarHBondContact O-N 3.13Å |
| 141 | C | 96 | Very high | 94.1 | Very high | 47 Ų | 47 | 52.2 Ų | 52.2 | 32% | 0.318 | 31% | 0.314 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 131.1 | 164.8 | 60.6 | 0 | 0 | 0 | 0 | 109.6 | L152 L153 A178 | C141-L152 VanDerWaalsContact CA-O 3.26Å; C141-L152 WeakPolarHBondContact CA-O 3.24Å; C141-L153 HydrophobicContact CB-CD1 4.18Å; C141-A178 HydrophobicContact CB-CB 3.86Å |
| 142 | Y | 96.4 | Very high | 94.1 | Very high | 27 Ų | 27 | 51.7 Ų | 51.7 | 11% | 0.106 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150 | 160.4 | 178.6 | 67.8 | -77.6 | 0 | 0 | 0 | 111.2 | I87 I90 N151 L152 A154 | I87-Y142 HydrophobicContact CD1-CD1 4.27Å; I87-Y142 HydrophobicContact CD1-CD2 4.3Å; I87-Y142 HydrophobicContact CD1-CG 3.98Å; I87-Y142 HydrophobicContact CG1-CD1 3.92Å; I87-Y142 HydrophobicContact CG1-CD2 4.17Å; I87-Y142 HydrophobicContact CG1-CE1 4.03Å; I87-Y142 HydrophobicContact CG1-CE2 4.28Å; I87-Y142 HydrophobicContact CG1-CG 4Å; I87-Y142 HydrophobicContact CG2-CD2 3.96Å; I87-Y142 HydrophobicContact CG2-CE2 3.73Å; I90-Y142 HydrophobicContact CD1-CE1 4.47Å; I90-Y142 VanDerWaalsContact CG2-OH 3.31Å; I90-Y142 WeakPolarHBondContact CG2-OH 3.33Å; Y142-N151 CarbonylContact O-C 3.52Å; Y142-N151 VanDerWaalsContact O-CA 3.31Å; Y142-N151 WeakPolarHBondContact O-CA 3.4Å; Y142-L152 HydrophobicContact CD1-CB 4.39Å; Y142-L152 HydrophobicContact CE1-CB 3.96Å; Y142-L152 HydrophobicContact CE2-CD1 4.26Å; Y142-L152 PolarHBondContact N-O 3.13Å; Y142-L152 PolarHBondContact O-N 3Å; Y142-A154 HydrophobicContact CE1-CB 4.2Å |
| 143 | D | 95.7 | Very high | 94.1 | Very high | 81 Ų | 81 | 49.8 Ų | 49.8 | 43% | 0.433 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 137.1 | 174.7 | -169.1 | -70.9 | 0 | 0 | 0 | 109.8 | G145 K150 | D143-G145 PolarHBondContact O-N 2.8Å; D143-G145 PolarHBondContact OD1-N 3.28Å; D143-K150 WeakPolarHBondContact CA-O 3.33Å |
| 144 | D | 93 | Very high | 94.2 | Very high | 21 Ų | 21 | 49.1 Ų | 49.1 | 11% | 0.112 | 30% | 0.295 | C | S | . | . | trans | -67.7 | -12.6 | -177.8 | 73 | -5.9 | 0 | 0 | 0 | 114.1 | L146 K150 L152 | D144-L146 HydrophobicContact CB-CG 4.31Å; D144-L146 PolarHBondContact O-N 3.42Å; D144-L146 PolarHBondContact OD1-N 3.38Å; D144-K150 PolarHBondContact N-O 2.74Å; D144-K150 WeakPolarHBondContact OD2-CB 3.14Å; D144-L152 HydrophobicContact CB-CD1 3.99Å; D144-L152 HydrophobicContact CB-CG 3.96Å | ||
| 145 | G | 92.2 | Very high | 94.4 | Very high | 63 Ų | 63 | 41 Ų | 41 | 65% | 0.649 | 26% | 0.264 | S | S | * | . | S | Bend | trans | 71.1 | 7.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | D143 G147 | D143-G145 PolarHBondContact O-N 2.8Å; D143-G145 PolarHBondContact OD1-N 3.28Å; G145-G147 VanDerWaalsContact C-N 3.3Å |
| 146 | L | 91.4 | Very high | 94.4 | Very high | 89 Ų | 89 | 40 Ų | 40 | 47% | 0.466 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -89.1 | 1.9 | -178.1 | -57 | -177.4 | 0 | 0 | 0 | 112.8 | F101 D144 A148 | F101-L146 HydrophobicContact CB-CD1 4.1Å; F101-L146 HydrophobicContact CD1-CD1 4.25Å; F101-L146 HydrophobicContact CD1-CD2 4.13Å; D144-L146 HydrophobicContact CB-CG 4.31Å; D144-L146 PolarHBondContact O-N 3.42Å; D144-L146 PolarHBondContact OD1-N 3.38Å; L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.85Å |
| 147 | G | 89.3 | Confident | 94.4 | Very high | 78 Ų | 78 | 39.9 Ų | 39.9 | 80% | 0.804 | 26% | 0.258 | S | S | * | . | S | Bend | trans | 84.3 | -7 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | G145 G149 | G145-G147 VanDerWaalsContact C-N 3.3Å; G147-G149 VanDerWaalsContact C-N 3.29Å |
| 148 | A | 88.9 | Confident | 94.4 | Very high | 70 Ų | 70 | 37.7 Ų | 37.7 | 58% | 0.579 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -83.3 | -4.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | L146 K150 | L146-A148 VanDerWaalsContact C-N 3.29Å; L146-A148 PolarHBondContact O-N 2.85Å; A148-K150 VanDerWaalsContact C-N 3.28Å; A148-K150 HydrophobicContact CB-CG 4.09Å; A148-K150 PolarHBondContact O-N 2.85Å |
| 149 | G | 87.6 | Confident | 94.2 | Very high | 39 Ų | 39 | 35.5 Ų | 35.5 | 40% | 0.402 | 24% | 0.239 | S | C | . | . | trans | 65.9 | 28.3 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | G147 N151 | G147-G149 VanDerWaalsContact C-N 3.29Å; G149-N151 PolarHBondContact O-ND2 2.84Å | ||
| 150 | K | 93.7 | Very high | 93.8 | Very high | 80 Ų | 80 | 39.5 Ų | 39.5 | 35% | 0.348 | 27% | 0.266 | S | S | . | . | trans | -81.3 | 144.6 | 176.9 | -59 | -59.4 | -177.1 | -176.2 | 0 | 109.1 | D143 D144 A148 Q171 | D143-K150 WeakPolarHBondContact CA-O 3.33Å; D144-K150 PolarHBondContact N-O 2.74Å; D144-K150 WeakPolarHBondContact OD2-CB 3.14Å; A148-K150 VanDerWaalsContact C-N 3.28Å; A148-K150 HydrophobicContact CB-CG 4.09Å; A148-K150 PolarHBondContact O-N 2.85Å; K150-Q171 HydrophobicContact CB-CG 4.2Å | ||
| 151 | N | 96.4 | Very high | 93.3 | Very high | 13 Ų | 13 | 45.5 Ų | 45.5 | 7% | 0.07 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 125.9 | -178.4 | -76.2 | -117.4 | 0 | 0 | 0 | 108.5 | Y142 G149 C172 S175 A178 | Y142-N151 CarbonylContact O-C 3.52Å; Y142-N151 VanDerWaalsContact O-CA 3.31Å; Y142-N151 WeakPolarHBondContact O-CA 3.4Å; G149-N151 PolarHBondContact O-ND2 2.84Å; N151-C172 PolarHBondContact O-N 2.92Å; N151-S175 VanDerWaalsContact CG-CA 3.49Å; N151-S175 WeakPolarHBondContact ND2-CB 3.15Å; N151-S175 WeakPolarHBondContact OD1-CA 3.28Å; N151-S175 WeakPolarHBondContact OD1-CB 3.47Å; N151-S175 PolarHBondContact OD1-OG 3.04Å; N151-A178 HydrophobicContact CB-CB 3.95Å |
| 152 | L | 97.3 | Very high | 92.6 | Very high | 1 Ų | 1 | 49.8 Ų | 49.8 | 1% | 0.005 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 143.5 | 173.3 | -62.1 | -178.6 | 0 | 0 | 0 | 110 | V66 C141 Y142 D144 V169 Y170 Q171 | V66-L152 HydrophobicContact CG2-CD2 4.06Å; C141-L152 VanDerWaalsContact CA-O 3.26Å; C141-L152 WeakPolarHBondContact CA-O 3.24Å; Y142-L152 HydrophobicContact CD1-CB 4.39Å; Y142-L152 HydrophobicContact CE1-CB 3.96Å; Y142-L152 HydrophobicContact CE2-CD1 4.26Å; Y142-L152 PolarHBondContact N-O 3.13Å; Y142-L152 PolarHBondContact O-N 3Å; D144-L152 HydrophobicContact CB-CD1 3.99Å; D144-L152 HydrophobicContact CB-CG 3.96Å; L152-V169 HydrophobicContact CB-CG1 4.4Å; L152-V169 HydrophobicContact CD1-CG1 4.37Å; L152-V169 HydrophobicContact CD2-CG1 4.33Å; L152-Y170 CarbonylContact C-O 3.56Å; L152-Y170 WeakPolarHBondContact CA-O 3.36Å; L152-Q171 HydrophobicContact CD2-CB 4.03Å; L152-Q171 HydrophobicContact CD2-CG 4.21Å |
| 153 | L | 97.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 109.6 | 172.1 | -169.5 | 78.3 | 0 | 0 | 0 | 107.8 | L110 M139 L140 C141 V169 Y170 I181 | L110-L153 HydrophobicContact CD1-CD2 3.98Å; M139-L153 HydrophobicContact CE-CD1 4.15Å; M139-L153 HydrophobicContact CG-CD1 3.67Å; M139-L153 HydrophobicContact CG-CD2 4.4Å; M139-L153 HydrophobicContact CG-CG 3.91Å; M139-L153 HydrophobicContact SD-CD1 3.81Å; M139-L153 HydrophobicContact SD-CD2 3.76Å; M139-L153 HydrophobicContact SD-CG 3.93Å; L140-L153 CarbonylContact O-C 3.53Å; L140-L153 VanDerWaalsContact O-CA 3.31Å; L140-L153 WeakPolarHBondContact O-CA 3.42Å; C141-L153 HydrophobicContact CB-CD1 4.18Å; L153-V169 WeakPolarHBondContact O-CA 3.4Å; L153-Y170 HydrophobicContact CD2-CD2 4.42Å; L153-Y170 PolarHBondContact N-O 2.78Å; L153-Y170 PolarHBondContact O-N 2.96Å; L153-I181 HydrophobicContact CD1-CG2 4.32Å; L153-I181 HydrophobicContact CD2-CD1 4.42Å; L153-I181 HydrophobicContact CD2-CG2 3.72Å |
| 154 | A | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 116.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | L86 I90 M139 L140 Y142 W168 | L86-A154 HydrophobicContact CD2-CB 4.49Å; I90-A154 HydrophobicContact CD1-CB 3.44Å; I90-A154 VanDerWaalsContact CD1-CB 3.44Å; M139-A154 CarbonylContact C-O 3.53Å; M139-A154 WeakPolarHBondContact CA-O 3.25Å; L140-A154 HydrophobicContact CB-CB 4.46Å; L140-A154 PolarHBondContact N-O 3.39Å; L140-A154 PolarHBondContact O-N 3.13Å; Y142-A154 HydrophobicContact CE1-CB 4.2Å; A154-W168 WeakPolarHBondContact CA-O 3.48Å |
| 155 | L | 97.6 | Very high | 91.7 | Very high | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 114.2 | 177.3 | -176.9 | 69.7 | 0 | 0 | 0 | 109.5 | V117 H131 I136 M139 T157 I167 W168 Y170 | V117-L155 HydrophobicContact CB-CD2 4.49Å; H131-L155 HydrophobicContact CB-CD2 4.01Å; H131-L155 VanDerWaalsContact CD2-CD2 3.47Å; H131-L155 WeakPolarHBondContact CD2-CD2 3.47Å; I136-L155 HydrophobicContact CD1-CD1 4.23Å; I136-L155 HydrophobicContact CG1-CD1 4.16Å; I136-L155 HydrophobicContact CG2-CD1 3.62Å; M139-L155 HydrophobicContact CB-CD1 3.91Å; M139-L155 HydrophobicContact CG-CD1 4.09Å; M139-L155 HydrophobicContact SD-CD1 4.15Å; L155-T157 HydrophobicContact CD2-CG2 4.15Å; L155-T157 HydrophobicContact CG-CG2 4.07Å; L155-I167 WeakPolarHBondContact O-CA 3.31Å; L155-W168 HydrophobicContact CB-CB 4.26Å; L155-W168 PolarHBondContact N-O 3.5Å; L155-W168 PolarHBondContact O-N 2.93Å; L155-Y170 HydrophobicContact CB-CE2 4.46Å |
| 156 | K | 95.8 | Very high | 91.8 | Very high | 6 Ų | 6 | 50.9 Ų | 50.9 | 3% | 0.026 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.4 | 122.2 | 171.8 | -174.5 | -176.3 | 179.9 | -174.9 | 0 | 109.1 | S77 L80 L86 V137 R138 | S77-K156 PolarHBondContact O-NZ 3.48Å; L80-K156 PolarHBondContact O-NZ 3.38Å; L86-K156 HydrophobicContact CD2-CB 4.11Å; V137-K156 HydrophobicContact CB-CD 4.29Å; V137-K156 HydrophobicContact CB-CG 4.22Å; V137-K156 HydrophobicContact CG1-CD 4.16Å; V137-K156 PolarHBondContact N-O 3.02Å; R138-K156 PolarHBondContact N-O 3.39Å; R138-K156 PolarHBondContact O-N 3.4Å |
| 157 | T | 95.2 | Very high | 92 | Very high | 11 Ų | 11 | 46.6 Ų | 46.6 | 7% | 0.067 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118 | 158.9 | 176.1 | 56.9 | 0 | 0 | 0 | 0 | 110.1 | H131 L135 I136 L155 C165 S166 W168 | H131-T157 HydrophobicContact CB-CG2 4.2Å; L135-T157 CarbonylContact O-C 3.55Å; L135-T157 VanDerWaalsContact O-CA 3.31Å; L135-T157 WeakPolarHBondContact O-CA 3.3Å; I136-T157 HydrophobicContact CG1-CG2 4.3Å; L155-T157 HydrophobicContact CD2-CG2 4.15Å; L155-T157 HydrophobicContact CG-CG2 4.07Å; T157-C165 CarbonylContact O-C 3.55Å; T157-C165 WeakPolarHBondContact O-CA 3.29Å; T157-C165 VanDerWaalsContact O-CB 3.32Å; T157-C165 WeakPolarHBondContact O-CB 3.41Å; T157-S166 PolarHBondContact N-O 3.4Å; T157-S166 PolarHBondContact O-N 3.37Å; T157-S166 PolarHBondContact OG1-O 3.32Å; T157-S166 VanDerWaalsContact OG1-O 3.12Å; T157-W168 PolarHBondContact OG1-NE1 3.13Å |
| 158 | T | 93.3 | Very high | 92.4 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 14% | 0.135 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 165.5 | 174.7 | -164.5 | 0 | 0 | 0 | 0 | 111.1 | L135 V137 Q162 Q164 | L135-T158 PolarHBondContact O-N 2.93Å; V137-T158 HydrophobicContact CG2-CG2 3.71Å; T158-Q162 HydrophobicContact CG2-CG 4.19Å; T158-Q162 WeakPolarHBondContact OG1-CA 3.3Å; T158-Q164 VanDerWaalsContact CA-O 3.28Å; T158-Q164 WeakPolarHBondContact CA-O 3.37Å; T158-Q164 WeakPolarHBondContact CB-O 3.34Å; T158-Q164 PolarHBondContact OG1-O 2.86Å |
| 159 | D | 90.9 | Very high | 92.9 | Very high | 42 Ų | 42 | 40.4 Ų | 40.4 | 23% | 0.225 | 21% | 0.209 | C | C | . | . | trans | -83.7 | 171 | 173.7 | 76.2 | -47.1 | 0 | 0 | 0 | 111.6 | K161 Q162 Q163 Q164 | D159-K161 PolarHBondContact O-N 3.47Å; D159-K161 VanDerWaalsContact O-N 3.15Å; D159-K161 WeakPolarHBondContact OD2-CB 3.46Å; D159-K161 PolarHBondContact OD2-N 2.95Å; D159-Q162 PolarHBondContact O-N 2.94Å; D159-Q162 WeakPolarHBondContact OD1-CA 3.44Å; D159-Q162 PolarHBondContact OD1-N 3.29Å; D159-Q163 PolarHBondContact OD1-N 3.14Å; D159-Q164 PolarHBondContact N-O 3.15Å; D159-Q164 PolarHBondContact OD1-N 3.43Å | ||
| 160 | T | 88.2 | Confident | 93.4 | Very high | 111 Ų | 111 | 38.6 Ų | 38.6 | 68% | 0.681 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -25.7 | -179.6 | 54.9 | 0 | 0 | 0 | 0 | 114 | L135 | L135-T160 HydrophobicContact CD2-CG2 4.5Š|
| 161 | K | 85.9 | Confident | 93.6 | Very high | 151 Ų | 151 | 35.8 Ų | 35.8 | 66% | 0.657 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | -3.4 | 178.1 | -58 | 178.9 | -178.5 | 175.3 | 0 | 113 | D159 Q163 | D159-K161 PolarHBondContact O-N 3.47Å; D159-K161 VanDerWaalsContact O-N 3.15Å; D159-K161 WeakPolarHBondContact OD2-CB 3.46Å; D159-K161 PolarHBondContact OD2-N 2.95Å; K161-Q163 HydrophobicContact CB-CB 4.45Å; K161-Q163 HydrophobicContact CB-CG 4.01Å; K161-Q163 PolarHBondContact O-N 3.22Å |
| 162 | Q | 81.3 | Confident | 93.6 | Very high | 138 Ų | 138 | 35.2 Ų | 35.2 | 65% | 0.645 | 18% | 0.175 | S | C | * | . | S | Bend | trans | 55 | 33.5 | -175.2 | -56 | -177.4 | -13.7 | 0 | 0 | 113.4 | F74 T158 D159 | F74-Q162 VanDerWaalsContact CD2-O 3.31Å; F74-Q162 WeakPolarHBondContact CD2-O 3.36Å; F74-Q162 WeakPolarHBondContact CE2-O 3.18Å; T158-Q162 HydrophobicContact CG2-CG 4.19Å; T158-Q162 WeakPolarHBondContact OG1-CA 3.3Å; D159-Q162 PolarHBondContact O-N 2.94Å; D159-Q162 WeakPolarHBondContact OD1-CA 3.44Å; D159-Q162 PolarHBondContact OD1-N 3.29Å |
| 163 | Q | 84.2 | Confident | 93.4 | Very high | 113 Ų | 113 | 39.1 Ų | 39.1 | 53% | 0.528 | 20% | 0.202 | S | C | . | . | S | Bend | trans | -104.9 | -20.2 | -179.6 | -68.7 | -171.6 | -8.8 | 0 | 0 | 112.8 | F74 D159 K161 | F74-Q163 WeakPolarHBondContact CA-O 3.34Å; F74-Q163 WeakPolarHBondContact CB-O 3.44Å; F74-Q163 PolarHBondContact N-O 2.79Å; D159-Q163 PolarHBondContact OD1-N 3.14Å; K161-Q163 HydrophobicContact CB-CB 4.45Å; K161-Q163 HydrophobicContact CB-CG 4.01Å; K161-Q163 PolarHBondContact O-N 3.22Å |
| 164 | Q | 89.3 | Confident | 93.3 | Very high | 81 Ų | 81 | 41.1 Ų | 41.1 | 38% | 0.379 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 152.1 | 179.2 | -66 | 179.8 | -8.6 | 0 | 0 | 109.8 | L72 T158 D159 | L72-Q164 VanDerWaalsContact O-CA 3.31Å; L72-Q164 WeakPolarHBondContact O-CA 3.12Å; T158-Q164 VanDerWaalsContact CA-O 3.28Å; T158-Q164 WeakPolarHBondContact CA-O 3.37Å; T158-Q164 WeakPolarHBondContact CB-O 3.34Å; T158-Q164 PolarHBondContact OG1-O 2.86Å; D159-Q164 PolarHBondContact N-O 3.15Å; D159-Q164 PolarHBondContact OD1-N 3.43Å |
| 165 | C | 91.3 | Very high | 93.2 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.014 | 23% | 0.233 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.9 | 170.4 | 66.6 | 0 | 0 | 0 | 0 | 111.9 | L72 T157 | L72-C165 VanDerWaalsContact CB-O 3.27Å; L72-C165 WeakPolarHBondContact CB-O 3.43Å; L72-C165 PolarHBondContact N-O 2.77Å; L72-C165 PolarHBondContact O-N 2.86Å; L72-C165 VanDerWaalsContact O-N 3.12Å; T157-C165 CarbonylContact O-C 3.55Å; T157-C165 WeakPolarHBondContact O-CA 3.29Å; T157-C165 VanDerWaalsContact O-CB 3.32Å; T157-C165 WeakPolarHBondContact O-CB 3.41Å |
| 166 | S | 94.8 | Very high | 93.1 | Very high | 18 Ų | 18 | 50.8 Ų | 50.8 | 13% | 0.126 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 139 | 173 | -60.1 | 0 | 0 | 0 | 0 | 109.1 | I69 E70 N71 T157 | I69-S166 CarbonylContact O-C 3.56Å; I69-S166 VanDerWaalsContact O-CA 3.28Å; I69-S166 WeakPolarHBondContact O-CA 3.05Å; E70-S166 WeakPolarHBondContact CA-OG 3.31Å; N71-S166 PolarHBondContact N-OG 2.96Å; T157-S166 PolarHBondContact N-O 3.4Å; T157-S166 PolarHBondContact O-N 3.37Å; T157-S166 PolarHBondContact OG1-O 3.32Å; T157-S166 VanDerWaalsContact OG1-O 3.12Å |
| 167 | I | 96.3 | Very high | 93.1 | Very high | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 128.8 | 178.7 | -56.1 | 165.8 | 0 | 0 | 0 | 107.5 | S68 I69 L72 L80 L86 Y89 I90 L155 V169 | S68-I167 CarbonylContact C-O 3.49Å; S68-I167 VanDerWaalsContact CA-O 3.23Å; S68-I167 WeakPolarHBondContact CA-O 3.5Å; I69-I167 HydrophobicContact CB-CB 4.48Å; I69-I167 PolarHBondContact N-O 2.85Å; I69-I167 PolarHBondContact O-N 3.12Å; L72-I167 HydrophobicContact CD1-CD1 3.66Å; L72-I167 HydrophobicContact CD1-CG1 4.12Å; L80-I167 HydrophobicContact CD1-CD1 3.93Å; L86-I167 HydrophobicContact CD1-CD1 3.53Å; L86-I167 HydrophobicContact CD1-CG1 3.89Å; L86-I167 HydrophobicContact CD1-CG2 4.15Å; Y89-I167 HydrophobicContact CD1-CD1 3.62Å; Y89-I167 HydrophobicContact CE1-CD1 3.83Å; I90-I167 HydrophobicContact CD1-CG2 4Å; I90-I167 HydrophobicContact CG1-CG2 4.13Å; L155-I167 WeakPolarHBondContact O-CA 3.31Å; I167-V169 HydrophobicContact CG2-CG2 4.12Å |
| 168 | W | 97.9 | Very high | 93.2 | Very high | 18 Ų | 18 | 51.2 Ų | 51.2 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 127.9 | 178 | -47.4 | 85.4 | 0 | 0 | 0 | 108.5 | Y65 S68 E70 H129 H131 A154 L155 T157 Y170 | Y65-W168 HydrophobicContact CE2-CE3 4.49Å; S68-W168 VanDerWaalsContact CB-CE3 3.48Å; E70-W168 HydrophobicContact CG-CH2 4.01Å; E70-W168 HydrophobicContact CG-CZ2 4.25Å; E70-W168 WeakPolarHBondContact OE1-CH2 3.41Å; H129-W168 AromaticContact CE1-CZ3 3.39Å; H129-W168 WeakPolarHBondContact CE1-CZ3 3.28Å; H129-W168 AromaticContact ND1-CH2 3.97Å; H129-W168 AromaticContact ND1-CZ3 3.65Å; H129-W168 AromaticContact NE2-CZ3 3.71Å; H131-W168 AromaticContact CE1-CD1 3.76Å; H131-W168 AromaticContact CE1-CD2 3.49Å; H131-W168 VanDerWaalsContact CE1-CD2 3.49Å; H131-W168 AromaticContact CE1-CE2 3.29Å; H131-W168 AromaticContact CE1-CG 3.83Å; H131-W168 AromaticContact CE1-CZ2 3.73Å; H131-W168 AromaticContact CE1-NE1 3.42Å; H131-W168 PolarHBondContact CE1-NE1 2.93Å; H131-W168 AromaticContact ND1-CE2 3.97Å; H131-W168 AromaticContact ND1-NE1 3.74Å; H131-W168 AromaticContact NE2-CD2 3.94Å; A154-W168 WeakPolarHBondContact CA-O 3.48Å; L155-W168 HydrophobicContact CB-CB 4.26Å; L155-W168 PolarHBondContact N-O 3.5Å; L155-W168 PolarHBondContact O-N 2.93Å; T157-W168 PolarHBondContact OG1-NE1 3.13Å; W168-Y170 HydrophobicContact CB-CE2 3.69Å |
| 169 | V | 98.1 | Very high | 93.3 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 127 | -175.6 | -171.9 | 0 | 0 | 0 | 0 | 109.8 | V66 G67 I90 L99 L152 L153 I167 | V66-V169 HydrophobicContact CB-CB 4.03Å; V66-V169 HydrophobicContact CB-CG1 3.91Å; V66-V169 WeakPolarHBondContact CB-O 3.36Å; V66-V169 HydrophobicContact CG1-CB 4.46Å; V66-V169 HydrophobicContact CG1-CG1 4.22Å; V66-V169 HydrophobicContact CG2-CG1 4.04Å; V66-V169 PolarHBondContact N-O 3.41Å; G67-V169 PolarHBondContact N-O 3.05Å; G67-V169 PolarHBondContact O-N 2.92Å; I90-V169 HydrophobicContact CD1-CG2 4.04Å; I90-V169 HydrophobicContact CG1-CG2 4.3Å; I90-V169 HydrophobicContact CG2-CG2 4.24Å; L99-V169 HydrophobicContact CD1-CG2 4.05Å; L152-V169 HydrophobicContact CB-CG1 4.4Å; L152-V169 HydrophobicContact CD1-CG1 4.37Å; L152-V169 HydrophobicContact CD2-CG1 4.33Å; L153-V169 WeakPolarHBondContact O-CA 3.4Å; I167-V169 HydrophobicContact CG2-CG2 4.12Å |
| 170 | Y | 98 | Very high | 93.6 | Very high | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.6 | 151.3 | 176.7 | -48.7 | -90 | 0 | 0 | 0 | 109.5 | V63 K64 Y65 L110 V119 H131 L152 L153 L155 W168 | V63-Y170 HydrophobicContact CG2-CD1 4.13Å; V63-Y170 HydrophobicContact CG2-CG 4.48Å; K64-Y170 CarbonylContact O-C 3.53Å; K64-Y170 VanDerWaalsContact O-CA 3.3Å; K64-Y170 WeakPolarHBondContact O-CA 3.27Å; Y65-Y170 AromaticContact CD2-CD1 3.76Å; Y65-Y170 HydrophobicContact CD2-CD1 3.76Å; Y65-Y170 AromaticContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CD2-CE1 3.53Å; Y65-Y170 HydrophobicContact CE2-CE1 4.07Å; L110-Y170 HydrophobicContact CD1-CD1 4.47Å; L110-Y170 HydrophobicContact CD1-CD2 4.21Å; L110-Y170 HydrophobicContact CD1-CE2 4.42Å; L110-Y170 HydrophobicContact CD1-CG 4.24Å; V119-Y170 HydrophobicContact CG1-CE1 4.23Å; V119-Y170 HydrophobicContact CG2-CE1 3.89Å; H131-Y170 PolarHBondContact NE2-OH 2.86Å; L152-Y170 CarbonylContact C-O 3.56Å; L152-Y170 WeakPolarHBondContact CA-O 3.36Å; L153-Y170 HydrophobicContact CD2-CD2 4.42Å; L153-Y170 PolarHBondContact N-O 2.78Å; L153-Y170 PolarHBondContact O-N 2.96Å; L155-Y170 HydrophobicContact CB-CE2 4.46Å; W168-Y170 HydrophobicContact CB-CE2 3.69Å |
| 171 | Q | 97.9 | Very high | 94.1 | Very high | 22 Ų | 22 | 50.9 Ų | 50.9 | 10% | 0.103 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 126.2 | 172.5 | -172.9 | -172.5 | -85.1 | 0 | 0 | 109.6 | K64 V66 P103 K150 L152 | K64-Q171 HydrophobicContact CB-CB 4.33Å; K64-Q171 PolarHBondContact N-O 2.75Å; K64-Q171 PolarHBondContact O-N 3.21Å; V66-Q171 HydrophobicContact CG2-CB 4.11Å; P103-Q171 HydrophobicContact CG-CB 3.88Å; P103-Q171 HydrophobicContact CG-CG 4.4Å; K150-Q171 HydrophobicContact CB-CG 4.2Å; L152-Q171 HydrophobicContact CD2-CB 4.03Å; L152-Q171 HydrophobicContact CD2-CG 4.21Å |
| 172 | C | 97.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.007 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86 | 155.6 | 174.1 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | N151 S174 Q177 A178 | N151-C172 PolarHBondContact O-N 2.92Å; C172-S174 VanDerWaalsContact C-N 3.32Å; C172-Q177 HydrophobicContact CB-CB 4.5Å; C172-A178 HydrophobicContact CB-CB 3.94Å |
| 173 | S | 93.5 | Very high | 95.3 | Very high | 82 Ų | 82 | 44.9 Ų | 44.9 | 57% | 0.573 | 23% | 0.233 | S | C | * | . | S | Bend | trans | -68.7 | -29.9 | 174.9 | 62.8 | 0 | 0 | 0 | 0 | 112.8 | Q177 | S173-Q177 PolarHBondContact OG-OE1 3.14Š|
| 174 | S | 94.8 | Very high | 95.9 | Very high | 44 Ų | 44 | 41 Ų | 41 | 31% | 0.308 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -153 | 162.9 | 180 | 73.6 | 0 | 0 | 0 | 0 | 112.3 | C172 E176 Q177 A178 | C172-S174 VanDerWaalsContact C-N 3.32Å; S174-E176 VanDerWaalsContact C-N 3.3Å; S174-E176 PolarHBondContact O-N 3.4Å; S174-Q177 PolarHBondContact O-N 2.93Å; S174-Q177 PolarHBondContact OG-N 3.1Å; S174-Q177 VanDerWaalsContact OG-N 3.11Å; S174-A178 PolarHBondContact O-N 3.37Å; S174-A178 VanDerWaalsContact O-N 3.16Å |
| 175 | S | 94.9 | Very high | 96.2 | Very high | 49 Ų | 49 | 37.3 Ų | 37.3 | 34% | 0.343 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.1 | -37 | 173.1 | -166.1 | 0 | 0 | 0 | 0 | 112.3 | N151 Q177 A178 Q179 | N151-S175 VanDerWaalsContact CG-CA 3.49Å; N151-S175 WeakPolarHBondContact ND2-CB 3.15Å; N151-S175 WeakPolarHBondContact OD1-CA 3.28Å; N151-S175 WeakPolarHBondContact OD1-CB 3.47Å; N151-S175 PolarHBondContact OD1-OG 3.04Å; S175-Q177 VanDerWaalsContact C-N 3.35Å; S175-Q177 PolarHBondContact O-N 3.5Å; S175-A178 PolarHBondContact O-N 3.37Å; S175-Q179 WeakPolarHBondContact O-CG 3.36Å; S175-Q179 PolarHBondContact O-N 3.32Å |
| 176 | E | 96.3 | Very high | 96.4 | Very high | 155 Ų | 155 | 40.4 Ų | 40.4 | 72% | 0.724 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -60.9 | -43.9 | 176.2 | -176.8 | -179.8 | -177.9 | 0 | 0 | 111.6 | S174 Q179 N180 | S174-E176 VanDerWaalsContact C-N 3.3Å; S174-E176 PolarHBondContact O-N 3.4Å; E176-Q179 PolarHBondContact O-N 3.32Å; E176-N180 WeakPolarHBondContact O-CB 3.36Å; E176-N180 PolarHBondContact O-N 2.96Å |
| 177 | Q | 96.8 | Very high | 96.4 | Very high | 26 Ų | 26 | 41.9 Ų | 41.9 | 12% | 0.121 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.4 | -47.1 | 176.1 | -172.8 | -170.5 | 31.5 | 0 | 0 | 111.1 | F61 R62 C172 S173 S174 S175 Q179 N180 I181 | F61-Q177 HydrophobicContact CD1-CG 4.03Å; R62-Q177 PolarHBondContact O-NE2 2.84Å; C172-Q177 HydrophobicContact CB-CB 4.5Å; S173-Q177 PolarHBondContact OG-OE1 3.14Å; S174-Q177 PolarHBondContact O-N 2.93Å; S174-Q177 PolarHBondContact OG-N 3.1Å; S174-Q177 VanDerWaalsContact OG-N 3.11Å; S175-Q177 VanDerWaalsContact C-N 3.35Å; S175-Q177 PolarHBondContact O-N 3.5Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.77Å; Q177-N180 PolarHBondContact O-N 2.7Å; Q177-N180 VanDerWaalsContact O-N 3.16Å; Q177-I181 HydrophobicContact CG-CD1 4.07Å; Q177-I181 WeakPolarHBondContact O-CG1 3.33Å; Q177-I181 PolarHBondContact O-N 3.16Å |
| 178 | A | 96.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.6 | -45.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | C141 N151 C172 S174 S175 N180 I181 C182 | C141-A178 HydrophobicContact CB-CB 3.86Å; N151-A178 HydrophobicContact CB-CB 3.95Å; C172-A178 HydrophobicContact CB-CB 3.94Å; S174-A178 PolarHBondContact O-N 3.37Å; S174-A178 VanDerWaalsContact O-N 3.16Å; S175-A178 PolarHBondContact O-N 3.37Å; A178-N180 VanDerWaalsContact C-N 3.34Å; A178-N180 PolarHBondContact O-N 3.33Å; A178-I181 PolarHBondContact O-N 3.16Å; A178-C182 PolarHBondContact O-N 3.43Å; A178-C182 VanDerWaalsContact O-N 3.13Å; A178-C182 PolarHBondContact O-SG 3.3Å |
| 179 | Q | 96.1 | Very high | 96.1 | Very high | 94 Ų | 94 | 44.5 Ų | 44.5 | 44% | 0.439 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.8 | -38.5 | 175.6 | -70.7 | 178.4 | 2.6 | 0 | 0 | 112.4 | S175 E176 Q177 C182 K183 | S175-Q179 WeakPolarHBondContact O-CG 3.36Å; S175-Q179 PolarHBondContact O-N 3.32Å; E176-Q179 PolarHBondContact O-N 3.32Å; Q177-Q179 VanDerWaalsContact C-N 3.34Å; Q177-Q179 PolarHBondContact O-N 2.77Å; Q179-C182 PolarHBondContact O-N 3.46Å; Q179-K183 VanDerWaalsContact O-CG 3.28Å; Q179-K183 WeakPolarHBondContact O-CG 3.48Å; Q179-K183 PolarHBondContact O-N 3.31Å |
| 180 | N | 96.8 | Very high | 95.8 | Very high | 75 Ų | 75 | 49.6 Ų | 49.6 | 40% | 0.401 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -65.2 | -43.3 | 178 | -165.2 | 11.4 | 0 | 0 | 0 | 111.4 | F61 E176 Q177 A178 C182 K183 V184 | F61-N180 HydrophobicContact CE1-CB 4.25Å; E176-N180 WeakPolarHBondContact O-CB 3.36Å; E176-N180 PolarHBondContact O-N 2.96Å; Q177-N180 PolarHBondContact O-N 2.7Å; Q177-N180 VanDerWaalsContact O-N 3.16Å; A178-N180 VanDerWaalsContact C-N 3.34Å; A178-N180 PolarHBondContact O-N 3.33Å; N180-C182 VanDerWaalsContact C-N 3.32Å; N180-C182 PolarHBondContact O-N 2.91Å; N180-K183 PolarHBondContact O-N 3.38Å; N180-K183 VanDerWaalsContact O-N 3.15Å; N180-V184 WeakPolarHBondContact O-CG2 3.32Å; N180-V184 PolarHBondContact O-N 3.27Å |
| 181 | I | 97.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.8 | -47.3 | 174.5 | -66.7 | 163.6 | 0 | 0 | 0 | 110.5 | F61 V63 L110 V112 M139 L153 Q177 A178 K183 V184 L185 | F61-I181 HydrophobicContact CB-CD1 3.92Å; F61-I181 HydrophobicContact CB-CG1 4.07Å; F61-I181 HydrophobicContact CD1-CD1 4.21Å; F61-I181 HydrophobicContact CD1-CG1 3.66Å; F61-I181 HydrophobicContact CD2-CD1 4.3Å; F61-I181 HydrophobicContact CD2-CG1 3.54Å; F61-I181 HydrophobicContact CE1-CG1 3.88Å; F61-I181 HydrophobicContact CE2-CG1 3.76Å; F61-I181 HydrophobicContact CG-CD1 3.9Å; F61-I181 HydrophobicContact CG-CG1 3.47Å; F61-I181 VanDerWaalsContact CG-CG1 3.47Å; F61-I181 HydrophobicContact CZ-CG1 3.92Å; V63-I181 HydrophobicContact CG1-CD1 4.14Å; L110-I181 HydrophobicContact CD2-CG2 4.13Å; V112-I181 HydrophobicContact CG2-CG2 4.11Å; M139-I181 HydrophobicContact CE-CG2 3.67Å; M139-I181 HydrophobicContact SD-CG2 4.08Å; L153-I181 HydrophobicContact CD1-CG2 4.32Å; L153-I181 HydrophobicContact CD2-CD1 4.42Å; L153-I181 HydrophobicContact CD2-CG2 3.72Å; Q177-I181 HydrophobicContact CG-CD1 4.07Å; Q177-I181 WeakPolarHBondContact O-CG1 3.33Å; Q177-I181 PolarHBondContact O-N 3.16Å; A178-I181 PolarHBondContact O-N 3.16Å; I181-K183 PolarHBondContact O-N 3.44Å; I181-V184 PolarHBondContact O-N 3.49Å; I181-L185 PolarHBondContact O-N 2.94Å |
| 182 | C | 96.6 | Very high | 94.9 | Very high | 25 Ų | 25 | 54.2 Ų | 54.2 | 17% | 0.169 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58.7 | -45.7 | 174.7 | -69.9 | 0 | 0 | 0 | 0 | 112.7 | M139 A178 Q179 N180 V184 L185 S186 | M139-C182 VanDerWaalsContact CE-CA 3.42Å; M139-C182 HydrophobicContact CE-CB 4.18Å; A178-C182 PolarHBondContact O-N 3.43Å; A178-C182 VanDerWaalsContact O-N 3.13Å; A178-C182 PolarHBondContact O-SG 3.3Å; Q179-C182 PolarHBondContact O-N 3.46Å; N180-C182 VanDerWaalsContact C-N 3.32Å; N180-C182 PolarHBondContact O-N 2.91Å; C182-V184 PolarHBondContact O-N 2.88Å; C182-L185 PolarHBondContact O-N 3.07Å; C182-S186 PolarHBondContact O-N 2.97Å; C182-S186 PolarHBondContact O-OG 3.06Å |
| 183 | K | 96.2 | Very high | 94.4 | Very high | 137 Ų | 137 | 60.2 Ų | 60.2 | 60% | 0.596 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 178.3 | -73.9 | 169 | -175.5 | 172.6 | 0 | 112.3 | Q179 N180 I181 L185 S186 A187 | Q179-K183 VanDerWaalsContact O-CG 3.28Å; Q179-K183 WeakPolarHBondContact O-CG 3.48Å; Q179-K183 PolarHBondContact O-N 3.31Å; N180-K183 PolarHBondContact O-N 3.38Å; N180-K183 VanDerWaalsContact O-N 3.15Å; I181-K183 PolarHBondContact O-N 3.44Å; K183-L185 VanDerWaalsContact C-N 3.35Å; K183-S186 PolarHBondContact O-N 3.43Å; K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.45Å |
| 184 | V | 96.6 | Very high | 93.7 | Very high | 31 Ų | 31 | 60.2 Ų | 60.2 | 19% | 0.188 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 178.6 | 177.3 | 0 | 0 | 0 | 0 | 111 | A59 F61 V112 N180 I181 C182 A187 S188 | A59-V184 HydrophobicContact CB-CG1 3.96Å; A59-V184 HydrophobicContact CB-CG2 4.15Å; F61-V184 HydrophobicContact CZ-CG2 4.18Å; V112-V184 HydrophobicContact CB-CG1 3.89Å; V112-V184 HydrophobicContact CG1-CB 4.37Å; V112-V184 HydrophobicContact CG1-CG1 3.8Å; N180-V184 WeakPolarHBondContact O-CG2 3.32Å; N180-V184 PolarHBondContact O-N 3.27Å; I181-V184 PolarHBondContact O-N 3.49Å; C182-V184 PolarHBondContact O-N 2.88Å; V184-A187 PolarHBondContact O-N 2.98Å; V184-S188 WeakPolarHBondContact O-CB 3.31Å; V184-S188 PolarHBondContact O-N 3.48Å; V184-S188 PolarHBondContact O-OG 2.94Å |
| 185 | L | 96.3 | Very high | 92.1 | Very high | 4 Ų | 4 | 62.4 Ų | 62.4 | 2% | 0.021 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 176.5 | -175.1 | 64.6 | 0 | 0 | 0 | 111.5 | V112 V117 L133 I136 M139 I181 C182 K183 A187 S188 F189 | V112-L185 HydrophobicContact CG1-CB 4Å; V112-L185 HydrophobicContact CG1-CD1 3.99Å; V117-L185 HydrophobicContact CG2-CD1 4.17Å; L133-L185 HydrophobicContact CD1-CD1 3.64Å; I136-L185 HydrophobicContact CD1-CD1 4.21Å; I136-L185 HydrophobicContact CG2-CD2 4.35Å; M139-L185 HydrophobicContact CB-CD2 3.7Å; M139-L185 HydrophobicContact CE-CB 3.61Å; M139-L185 HydrophobicContact CE-CD2 3.39Å; M139-L185 HydrophobicContact CE-CG 4.13Å; M139-L185 HydrophobicContact CG-CD2 4.33Å; M139-L185 HydrophobicContact SD-CD2 3.64Å; I181-L185 PolarHBondContact O-N 2.94Å; C182-L185 PolarHBondContact O-N 3.07Å; K183-L185 VanDerWaalsContact C-N 3.35Å; L185-A187 PolarHBondContact O-N 3.29Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 3.09Å; L185-S188 VanDerWaalsContact O-N 3.11Å; L185-F189 HydrophobicContact CD1-CD2 4.44Å; L185-F189 HydrophobicContact CD1-CE2 4.02Å; L185-F189 HydrophobicContact CD2-CE2 4.04Å; L185-F189 HydrophobicContact CG-CD2 4.07Å; L185-F189 HydrophobicContact CG-CE2 3.72Å; L185-F189 VanDerWaalsContact O-CD2 3.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.38Å; L185-F189 PolarHBondContact O-N 3.17Å |
| 186 | S | 95.4 | Very high | 90.1 | Very high | 68 Ų | 68 | 66.1 Ų | 66.1 | 48% | 0.476 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -57.1 | -47.9 | 173.7 | -66.3 | 0 | 0 | 0 | 0 | 111.6 | C182 K183 S188 F189 D190 | C182-S186 PolarHBondContact O-N 2.97Å; C182-S186 PolarHBondContact O-OG 3.06Å; K183-S186 PolarHBondContact O-N 3.43Å; S186-S188 VanDerWaalsContact C-N 3.25Å; S186-S188 PolarHBondContact O-N 3.43Å; S186-F189 WeakPolarHBondContact O-CB 3.31Å; S186-F189 PolarHBondContact O-N 2.87Å; S186-F189 VanDerWaalsContact O-N 3.13Å; S186-D190 PolarHBondContact O-N 3.26Å |
| 187 | A | 94.1 | Very high | 87.8 | Confident | 48 Ų | 48 | 67.8 Ų | 67.8 | 40% | 0.397 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K183 V184 L185 D190 C191 | K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.45Å; V184-A187 PolarHBondContact O-N 2.98Å; L185-A187 PolarHBondContact O-N 3.29Å; A187-D190 PolarHBondContact O-N 2.88Å; A187-C191 WeakPolarHBondContact O-CB 3.46Å; A187-C191 PolarHBondContact O-N 3.03Å; A187-C191 PolarHBondContact O-SG 2.99Å |
| 188 | S | 93.7 | Very high | 85.5 | Confident | 11 Ų | 11 | 75.9 Ų | 75.9 | 8% | 0.077 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -64.8 | -39.9 | 176.1 | -59.1 | 0 | 0 | 0 | 0 | 111.9 | V184 L185 S186 A192 | V184-S188 WeakPolarHBondContact O-CB 3.31Å; V184-S188 PolarHBondContact O-N 3.48Å; V184-S188 PolarHBondContact O-OG 2.94Å; L185-S188 WeakPolarHBondContact O-CB 3.35Å; L185-S188 PolarHBondContact O-N 3.09Å; L185-S188 VanDerWaalsContact O-N 3.11Å; S186-S188 VanDerWaalsContact C-N 3.25Å; S186-S188 PolarHBondContact O-N 3.43Å; S188-A192 WeakPolarHBondContact O-CB 3.26Å; S188-A192 PolarHBondContact O-N 3.04Å; S188-A192 VanDerWaalsContact O-N 3.1Å |
| 189 | F | 94 | Very high | 84.9 | Confident | 63 Ų | 63 | 79.7 Ų | 79.7 | 28% | 0.276 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.6 | -45.9 | 171.8 | -76.6 | -63.9 | 0 | 0 | 0 | 112 | L133 I136 L185 S186 C191 A192 L193 | L133-F189 HydrophobicContact CD1-CD1 3.81Å; L133-F189 HydrophobicContact CD1-CD2 4.29Å; L133-F189 HydrophobicContact CD1-CE1 3.55Å; L133-F189 HydrophobicContact CD1-CE2 4.06Å; L133-F189 HydrophobicContact CD1-CG 4.18Å; L133-F189 HydrophobicContact CD1-CZ 3.69Å; L133-F189 HydrophobicContact CD2-CD1 4.16Å; L133-F189 HydrophobicContact CD2-CE1 4.46Å; L133-F189 HydrophobicContact CG-CD1 3.81Å; L133-F189 HydrophobicContact CG-CE1 3.62Å; L133-F189 HydrophobicContact CG-CZ 4.25Å; L133-F189 WeakPolarHBondContact O-CE1 3.33Å; I136-F189 HydrophobicContact CB-CZ 4Å; I136-F189 HydrophobicContact CG2-CE2 4.39Å; I136-F189 HydrophobicContact CG2-CZ 3.94Å; L185-F189 HydrophobicContact CD1-CD2 4.44Å; L185-F189 HydrophobicContact CD1-CE2 4.02Å; L185-F189 HydrophobicContact CD2-CE2 4.04Å; L185-F189 HydrophobicContact CG-CD2 4.07Å; L185-F189 HydrophobicContact CG-CE2 3.72Å; L185-F189 VanDerWaalsContact O-CD2 3.3Å; L185-F189 WeakPolarHBondContact O-CD2 3.38Å; L185-F189 PolarHBondContact O-N 3.17Å; S186-F189 WeakPolarHBondContact O-CB 3.31Å; S186-F189 PolarHBondContact O-N 2.87Å; S186-F189 VanDerWaalsContact O-N 3.13Å; F189-C191 VanDerWaalsContact C-N 3.31Å; F189-C191 PolarHBondContact O-N 2.81Å; F189-A192 PolarHBondContact O-N 3.01Å; F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.2Å |
| 190 | D | 92.1 | Very high | 84.3 | Confident | 106 Ų | 106 | 78.9 Ų | 78.9 | 57% | 0.567 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.2 | -40 | 178.8 | -67.4 | -26.5 | 0 | 0 | 0 | 112 | S186 A187 L193 S194 | S186-D190 PolarHBondContact O-N 3.26Å; A187-D190 PolarHBondContact O-N 2.88Å; D190-L193 PolarHBondContact O-N 3.29Å; D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.47Å; D190-S194 PolarHBondContact O-N 2.94Å; D190-S194 PolarHBondContact O-OG 2.87Å |
| 191 | C | 89.5 | Confident | 83.7 | Confident | 79 Ų | 79 | 79.1 Ų | 79.1 | 53% | 0.534 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 174.1 | -74.4 | 0 | 0 | 0 | 0 | 112.3 | A187 F189 L193 S194 S195 | A187-C191 WeakPolarHBondContact O-CB 3.46Å; A187-C191 PolarHBondContact O-N 3.03Å; A187-C191 PolarHBondContact O-SG 2.99Å; F189-C191 VanDerWaalsContact C-N 3.31Å; F189-C191 PolarHBondContact O-N 2.81Å; C191-L193 VanDerWaalsContact C-N 3.28Å; C191-L193 PolarHBondContact O-N 3.11Å; C191-S194 WeakPolarHBondContact CA-OG 3.35Å; C191-S194 PolarHBondContact O-N 3.45Å; C191-S194 PolarHBondContact O-OG 3.35Å; C191-S195 PolarHBondContact O-N 3.49Å; C191-S195 VanDerWaalsContact O-N 3.15Å |
| 192 | A | 88 | Confident | 82.8 | Confident | 41 Ų | 41 | 83.8 Ų | 83.8 | 34% | 0.339 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.5 | -30.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | L133 S188 F189 S195 N196 | L133-A192 HydrophobicContact CD2-CB 3.93Å; S188-A192 WeakPolarHBondContact O-CB 3.26Å; S188-A192 PolarHBondContact O-N 3.04Å; S188-A192 VanDerWaalsContact O-N 3.1Å; F189-A192 PolarHBondContact O-N 3.01Å; A192-S195 PolarHBondContact O-OG 3.41Å; A192-N196 PolarHBondContact O-ND2 3.38Å |
| 193 | L | 86 | Confident | 82 | Confident | 127 Ų | 127 | 87.4 Ų | 87.4 | 67% | 0.665 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -80.5 | -37.5 | 176.3 | -67.7 | 173.3 | 0 | 0 | 0 | 112.3 | F189 D190 C191 N196 | F189-L193 WeakPolarHBondContact O-CG 3.48Å; F189-L193 PolarHBondContact O-N 3.2Å; D190-L193 PolarHBondContact O-N 3.29Å; C191-L193 VanDerWaalsContact C-N 3.28Å; C191-L193 PolarHBondContact O-N 3.11Å; L193-N196 PolarHBondContact O-N 2.86Å |
| 194 | S | 79.1 | Confident | 81 | Confident | 81 Ų | 81 | 84.1 Ų | 84.1 | 57% | 0.566 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -75.3 | -22.3 | -178.8 | 55 | 0 | 0 | 0 | 0 | 114.3 | D190 C191 N196 K197 | D190-S194 VanDerWaalsContact O-CB 3.3Å; D190-S194 WeakPolarHBondContact O-CB 3.47Å; D190-S194 PolarHBondContact O-N 2.94Å; D190-S194 PolarHBondContact O-OG 2.87Å; C191-S194 WeakPolarHBondContact CA-OG 3.35Å; C191-S194 PolarHBondContact O-N 3.45Å; C191-S194 PolarHBondContact O-OG 3.35Å; S194-N196 PolarHBondContact O-N 3.2Å; S194-K197 PolarHBondContact O-N 3.49Å |
| 195 | S | 61.5 | Low | 79.9 | Confident | 90 Ų | 90 | 87.9 Ų | 87.9 | 63% | 0.629 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -7.2 | 173.4 | 67.8 | 0 | 0 | 0 | 0 | 114.1 | C191 A192 | C191-S195 PolarHBondContact O-N 3.49Å; C191-S195 VanDerWaalsContact O-N 3.15Å; A192-S195 PolarHBondContact O-OG 3.41Å |
| 196 | N | 53.7 | Low | 78.7 | Confident | 127 Ų | 127 | 94.4 Ų | 94.4 | 68% | 0.679 | 56% | 0.562 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.6 | 20.4 | 179.4 | -70.4 | -51.6 | 0 | 0 | 0 | 113.8 | A192 L193 S194 P198 | A192-N196 PolarHBondContact O-ND2 3.38Å; L193-N196 PolarHBondContact O-N 2.86Å; S194-N196 PolarHBondContact O-N 3.2Å; N196-P198 VanDerWaalsContact O-CD 3.27Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å |
| 197 | K | 46.1 | Very low | 77.3 | Confident | 190 Ų | 190 | 96.6 Ų | 96.6 | 83% | 0.826 | 57% | 0.569 | S | S | * | * | trans | -77.5 | 114.6 | 165.9 | -109 | 178.7 | 179.6 | 173 | 0 | 109 | S194 | S194-K197 PolarHBondContact O-N 3.49Š| ||
| 198 | P | 49.3 | Very low | 75.7 | Confident | 196 Ų | 196 | 101 Ų | 101 | 100% | 1.273 | 59% | 0.585 | S | S | * | * | trans | -65.3 | 0 | 173.1 | 29.3 | -34.5 | 0 | 0 | 0 | 112.1 | N196 | N196-P198 VanDerWaalsContact O-CD 3.27Å; N196-P198 WeakPolarHBondContact O-CD 3.47Å |
Retrieved 198 of 198 residues in 127.9 ms
(Link to these results)