| 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 | 44.6 | Very low | 50.8 | Low | 231 Ų | 231 | 153.9 Ų | 153.9 | 100% | 1.138 | 83% | 0.83 | S | S | * | * | 0 | 87.4 | 0 | -73.3 | -66 | 151.4 | 0 | 0 | 108.2 | |||||
| 2 | L | 46.1 | Very low | 51.1 | Low | 171 Ų | 171 | 160.8 Ų | 160.8 | 90% | 0.895 | 84% | 0.835 | S | S | * | * | trans | -93.9 | 109.2 | 177.4 | -70.1 | 170 | 0 | 0 | 0 | 107.9 | ||||
| 3 | L | 47.9 | Very low | 50.5 | Low | 166 Ų | 166 | 157.1 Ų | 157.1 | 87% | 0.869 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -76.6 | 120.7 | 173.8 | -76.5 | 92.9 | 0 | 0 | 0 | 109.3 | ||
| 4 | L | 45.9 | Very low | 50.3 | Low | 157 Ų | 157 | 153.7 Ų | 153.7 | 82% | 0.822 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 143.4 | 167.6 | -99.1 | 73.1 | 0 | 0 | 0 | 110.2 | ||
| 5 | P | 57.7 | Low | 50.5 | Low | 111 Ų | 111 | 150.1 Ų | 150.1 | 72% | 0.721 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -70.4 | 153.6 | 174.1 | 29.1 | -33.1 | 0 | 0 | 0 | 111.9 | ||
| 6 | P | 55.5 | Low | 50.4 | Low | 128 Ų | 128 | 148.3 Ų | 148.3 | 83% | 0.831 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 143.4 | -178.7 | 27.9 | -33.2 | 0 | 0 | 0 | 112.1 | ||
| 7 | R | 51.8 | Low | 50.4 | Low | 219 Ų | 219 | 150.7 Ų | 150.7 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 141.7 | 177.1 | -85 | -179.8 | 170.8 | -149.5 | -1.4 | 111.4 | ||
| 8 | P | 54.9 | Low | 50.3 | Low | 104 Ų | 104 | 149.2 Ų | 149.2 | 68% | 0.675 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 151.3 | 173.7 | 28.9 | -33 | 0 | 0 | 0 | 111.3 | ||
| 9 | P | 58.2 | Low | 50.2 | Low | 128 Ų | 128 | 150.7 Ų | 150.7 | 83% | 0.831 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 138.5 | -180 | 28.8 | -33 | 0 | 0 | 0 | 111.1 | ||
| 10 | H | 50.1 | Low | 49.8 | Very low | 154 Ų | 154 | 150.2 Ų | 150.2 | 71% | 0.713 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -69.9 | 140.6 | 174.4 | -54.7 | -75 | 0 | 0 | 0 | 110.3 | R12 | H10-R12 PolarHBondContact O-N 3.39Š|
| 11 | P | 46.3 | Very low | 49.6 | Very low | 124 Ų | 124 | 148.1 Ų | 148.1 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 130.7 | 173.8 | 26.3 | -31.6 | 0 | 0 | 0 | 109.5 | S13 | P11-S13 PolarHBondContact O-N 3.22Š|
| 12 | R | 53.9 | Low | 49.7 | Very low | 236 Ų | 236 | 142.7 Ų | 142.7 | 89% | 0.891 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 120.7 | 172.7 | -82 | 176.4 | 159.9 | -124.7 | -0.6 | 108.8 | H10 S14 | H10-R12 PolarHBondContact O-N 3.39Å; R12-S14 PolarHBondContact O-N 3.3Å |
| 13 | S | 43.3 | Very low | 49.6 | Very low | 113 Ų | 113 | 139.8 Ų | 139.8 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -54.7 | 104.5 | 168.7 | 176.2 | 0 | 0 | 0 | 0 | 109.1 | P11 S15 | P11-S13 PolarHBondContact O-N 3.22Å; S13-S15 PolarHBondContact O-N 3.11Å | ||
| 14 | S | 48.7 | Very low | 49.2 | Very low | 110 Ų | 110 | 137.7 Ų | 137.7 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -81.8 | 111.2 | 167.4 | -63.4 | 0 | 0 | 0 | 0 | 106.7 | R12 | R12-S14 PolarHBondContact O-N 3.3Š| ||
| 15 | S | 52.8 | Low | 49.2 | Very low | 100 Ų | 100 | 140 Ų | 140 | 70% | 0.699 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 137.9 | 170.8 | -68.8 | 0 | 0 | 0 | 0 | 108.7 | S13 E17 | S13-S15 PolarHBondContact O-N 3.11Å; S15-E17 PolarHBondContact O-N 3.18Å |
| 16 | P | 49.2 | Very low | 48.6 | Very low | 120 Ų | 120 | 141 Ų | 141 | 78% | 0.779 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -67.2 | 118.3 | 172.9 | 27.2 | -30.9 | 0 | 0 | 0 | 108.7 | V18 | P16-V18 PolarHBondContact O-N 3.19Š|
| 17 | E | 50.5 | Low | 48 | Very low | 190 Ų | 190 | 140 Ų | 140 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 122.8 | 165.3 | -85.9 | -122.7 | 94 | 0 | 0 | 108.8 | S15 M19 | S15-E17 PolarHBondContact O-N 3.18Å; E17-M19 PolarHBondContact O-N 2.97Å |
| 18 | V | 49.1 | Very low | 47.5 | Very low | 124 Ų | 124 | 135.4 Ų | 135.4 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -75.7 | 103.2 | 173.3 | -179 | 0 | 0 | 0 | 0 | 106.3 | P16 D20 | P16-V18 PolarHBondContact O-N 3.19Å; V18-D20 PolarHBondContact O-N 3.35Å; V18-D20 VanDerWaalsContact O-N 3.11Å | ||
| 19 | M | 47 | Very low | 46.7 | Very low | 177 Ų | 177 | 140 Ų | 140 | 87% | 0.872 | 79% | 0.789 | S | S | * | * | trans | -68.8 | 105.4 | 172 | -165.5 | 82.6 | 67.5 | 0 | 0 | 108.2 | E17 | E17-M19 PolarHBondContact O-N 2.97Š| ||
| 20 | D | 41.8 | Very low | 46 | Very low | 140 Ų | 140 | 139.8 Ų | 139.8 | 75% | 0.749 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -57.2 | 129.3 | 174.1 | -93.9 | -72.4 | 0 | 0 | 0 | 110.5 | V18 | V18-D20 PolarHBondContact O-N 3.35Å; V18-D20 VanDerWaalsContact O-N 3.11Å |
| 21 | P | 46.1 | Very low | 45.9 | Very low | 107 Ų | 107 | 141.9 Ų | 141.9 | 70% | 0.695 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -68 | 144.3 | 177.2 | 27.5 | -32.9 | 0 | 0 | 0 | 110.9 | ||
| 22 | P | 46.2 | Very low | 45.5 | Very low | 117 Ų | 117 | 140.9 Ų | 140.9 | 76% | 0.76 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -65.6 | 148.2 | -177.2 | 27.2 | -34.6 | 0 | 0 | 0 | 111.7 | ||
| 23 | P | 45.1 | Very low | 44.6 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 72% | 0.721 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 143.9 | -178.2 | 26.7 | -34.1 | 0 | 0 | 0 | 111.5 | K25 | P23-K25 PolarHBondContact O-N 2.95Š|
| 24 | P | 39.2 | Very low | 44.7 | Very low | 122 Ų | 122 | 134.8 Ų | 134.8 | 79% | 0.792 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 125.5 | 177.9 | 26.1 | -32.4 | 0 | 0 | 0 | 110.3 | T26 | P24-T26 PolarHBondContact O-N 3.19Š|
| 25 | K | 45.1 | Very low | 44.5 | Very low | 205 Ų | 205 | 135.8 Ų | 135.8 | 89% | 0.891 | 79% | 0.794 | S | S | * | * | trans | -65 | 114.3 | 175.8 | -65.8 | -177.3 | 179.1 | -174.8 | 0 | 109.6 | P23 | P23-K25 PolarHBondContact O-N 2.95Š| ||
| 26 | T | 46.3 | Very low | 44.2 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 128.6 | 172.2 | 32.9 | 0 | 0 | 0 | 0 | 110.4 | P24 | P24-T26 PolarHBondContact O-N 3.19Š|
| 27 | P | 41.9 | Very low | 43.6 | Very low | 107 Ų | 107 | 136.5 Ų | 136.5 | 70% | 0.695 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 147.2 | 171.6 | 28.6 | -31.3 | 0 | 0 | 0 | 110.6 | ||
| 28 | P | 41.6 | Very low | 43.7 | Very low | 123 Ų | 123 | 134.3 Ų | 134.3 | 80% | 0.799 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 138.6 | -174.1 | 29.4 | -32.9 | 0 | 0 | 0 | 111.4 | ||
| 29 | F | 38.3 | Very low | 43 | Very low | 201 Ų | 201 | 133.4 Ų | 133.4 | 88% | 0.882 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130 | 172.1 | -80.6 | -99.4 | 0 | 0 | 0 | 110.4 | K31 | F29-K31 PolarHBondContact O-N 3.46Š|
| 30 | P | 43 | Very low | 43.1 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 123.4 | 167.1 | 27.9 | -29.5 | 0 | 0 | 0 | 109.2 | ||
| 31 | K | 48.2 | Very low | 43 | Very low | 199 Ų | 199 | 129.4 Ų | 129.4 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -68 | 125.6 | 165.2 | -81.1 | 175.8 | 171.5 | 179.6 | 0 | 108 | F29 | F29-K31 PolarHBondContact O-N 3.46Š|
| 32 | A | 38.4 | Very low | 43 | Very low | 103 Ų | 103 | 131.1 Ų | 131.1 | 85% | 0.851 | 81% | 0.809 | S | S | * | * | trans | -93.9 | 105.2 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 33 | D | 35 | Very low | 42.7 | Very low | 150 Ų | 150 | 130.4 Ų | 130.4 | 80% | 0.802 | 81% | 0.813 | S | S | * | * | trans | -60.1 | 138.3 | 159.2 | -69.6 | -83.8 | 0 | 0 | 0 | 109.9 | ||||
| 34 | G | 46 | Very low | 42.6 | Very low | 71 Ų | 71 | 131.5 Ų | 131.5 | 73% | 0.732 | 82% | 0.818 | S | S | * | * | trans | -66.6 | 163.1 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 35 | P | 42.9 | Very low | 42.5 | Very low | 130 Ų | 130 | 130.4 Ų | 130.4 | 84% | 0.844 | 82% | 0.819 | S | S | * | * | -141 | 149.6 | 106.9 | 31.9 | -16.8 | 0 | 0 | 0 | 115.2 | |||||
| 36 | S | 46.4 | Very low | 42.1 | Very low | 116 Ų | 116 | 123 Ų | 123 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -50.6 | 136.2 | 158.6 | -49.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 37 | S | 36.9 | Very low | 41.5 | Very low | 119 Ų | 119 | 123 Ų | 123 | 83% | 0.832 | 80% | 0.803 | S | S | * | * | trans | -159.7 | 121.8 | 146 | -80.6 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 38 | T | 52.2 | Low | 41.3 | Very low | 145 Ų | 145 | 128.6 Ų | 128.6 | 89% | 0.89 | 81% | 0.81 | S | S | * | * | trans | -71.2 | 128.1 | 173.3 | 45.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 39 | S | 36.1 | Very low | 41.1 | Very low | 104 Ų | 104 | 127.9 Ų | 127.9 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | -157.6 | 108.2 | 154.1 | 57.8 | 0 | 0 | 0 | 0 | 110 | S41 | S39-S41 PolarHBondContact O-N 3.42Š| ||
| 40 | S | 48.7 | Very low | 41.2 | Very low | 131 Ų | 131 | 122.3 Ų | 122.3 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | trans | -57.3 | 125 | 166 | -59 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 41 | S | 39.8 | Very low | 41.5 | Very low | 103 Ų | 103 | 125.5 Ų | 125.5 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -144.8 | 127.6 | 167.4 | -69.4 | 0 | 0 | 0 | 0 | 108.2 | S39 A43 | S39-S41 PolarHBondContact O-N 3.42Å; S41-A43 PolarHBondContact O-N 3.32Å | ||
| 42 | V | 46.5 | Very low | 41.5 | Very low | 143 Ų | 143 | 120.5 Ų | 120.5 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | trans | -44.2 | 117.2 | 174.3 | -104 | 0 | 0 | 0 | 0 | 110.4 | V44 | V42-V44 PolarHBondContact O-N 3.28Š| ||
| 43 | A | 38.6 | Very low | 42.2 | Very low | 102 Ų | 102 | 116.4 Ų | 116.4 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | -73 | 94.6 | 177 | 0 | 0 | 0 | 0 | 0 | 109.5 | S41 A45 | S41-A43 PolarHBondContact O-N 3.32Å; A43-A45 PolarHBondContact O-N 3.23Å | ||
| 44 | V | 42.8 | Very low | 42.7 | Very low | 133 Ų | 133 | 118.3 Ų | 118.3 | 81% | 0.806 | 73% | 0.732 | S | S | * | * | trans | -63.9 | 118.8 | 158.6 | 176.1 | 0 | 0 | 0 | 0 | 106.3 | V42 G46 | V42-V44 PolarHBondContact O-N 3.28Å; V44-G46 VanDerWaalsContact C-N 3.28Å; V44-G46 PolarHBondContact O-N 3.48Å | ||
| 45 | A | 38.9 | Very low | 43.3 | Very low | 100 Ų | 100 | 119.3 Ų | 119.3 | 83% | 0.826 | 72% | 0.717 | S | S | * | * | trans | -64.2 | 90.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | A43 | A43-A45 PolarHBondContact O-N 3.23Š| ||
| 46 | G | 36 | Very low | 43.6 | Very low | 48 Ų | 48 | 118.6 Ų | 118.6 | 50% | 0.495 | 71% | 0.706 | S | S | . | * | P | Polyproline II helix | trans | -61.2 | 160.7 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111 | V44 R48 | V44-G46 VanDerWaalsContact C-N 3.28Å; V44-G46 PolarHBondContact O-N 3.48Å; G46-R48 PolarHBondContact O-N 2.93Å |
| 47 | P | 33.2 | Very low | 44 | Very low | 132 Ų | 132 | 116.1 Ų | 116.1 | 86% | 0.857 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -52 | 127.6 | 177.8 | 21.5 | -31.6 | 0 | 0 | 0 | 109.6 | ||
| 48 | R | 38.5 | Very low | 44.6 | Very low | 224 Ų | 224 | 116 Ų | 116 | 85% | 0.845 | 67% | 0.672 | S | S | * | * | P | Polyproline II helix | trans | -53 | 126.9 | 177.6 | -79.2 | 177 | 168.9 | -174.8 | -1.9 | 108.2 | G46 | G46-R48 PolarHBondContact O-N 2.93Š|
| 49 | P | 37.7 | Very low | 44.3 | Very low | 108 Ų | 108 | 111.9 Ų | 111.9 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -60 | 144.4 | 176.8 | 24.3 | -32.4 | 0 | 0 | 0 | 109.4 | R51 | P49-R51 PolarHBondContact O-N 3.02Š|
| 50 | P | 40.6 | Very low | 44.6 | Very low | 85 Ų | 85 | 111.7 Ų | 111.7 | 55% | 0.552 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 129.8 | -179.5 | 21.9 | -31.7 | 0 | 0 | 0 | 109.6 | L52 | P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.36Å |
| 51 | R | 47.9 | Very low | 44.7 | Very low | 189 Ų | 189 | 112 Ų | 112 | 71% | 0.713 | 64% | 0.64 | S | S | * | * | trans | -69.2 | 90.7 | 175.1 | -74.1 | -171.8 | 176.2 | -139.2 | 0.5 | 108.6 | P49 G53 | P49-R51 PolarHBondContact O-N 3.02Å; R51-G53 PolarHBondContact O-N 3.37Å; R51-G53 VanDerWaalsContact O-N 3.11Å | ||
| 52 | L | 49.3 | Very low | 45.2 | Very low | 94 Ų | 94 | 109.4 Ų | 109.4 | 49% | 0.492 | 63% | 0.63 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 103.8 | 170.9 | -77.4 | 144.7 | 0 | 0 | 0 | 108.9 | P50 R54 T68 Q70 | P50-L52 VanDerWaalsContact C-N 3.3Å; P50-L52 PolarHBondContact O-N 3.36Å; L52-R54 PolarHBondContact O-N 3.39Å; L52-T68 HydrophobicContact CD2-CG2 4.43Å; L52-Q70 HydrophobicContact CD2-CG 4.09Å |
| 53 | G | 51.3 | Low | 45.2 | Very low | 17 Ų | 17 | 106.4 Ų | 106.4 | 18% | 0.175 | 61% | 0.612 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.9 | 108 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | R51 H55 V69 | R51-G53 PolarHBondContact O-N 3.37Å; R51-G53 VanDerWaalsContact O-N 3.11Å; G53-H55 PolarHBondContact O-CD2 3.25Å; G53-H55 PolarHBondContact O-N 3.39Å; G53-V69 PolarHBondContact N-O 3.08Å |
| 54 | R | 45.9 | Very low | 45.6 | Very low | 191 Ų | 191 | 105.4 Ų | 105.4 | 72% | 0.721 | 60% | 0.597 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -81.6 | 103.8 | 170 | -81.6 | 174.6 | 69.4 | -175.2 | 1.3 | 108.3 | L52 T68 | L52-R54 PolarHBondContact O-N 3.39Å; R54-T68 HydrophobicContact CG-CG2 4.26Å |
| 55 | H | 60.3 | Low | 45.9 | Very low | 91 Ų | 91 | 104.8 Ų | 104.8 | 42% | 0.421 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.9 | 121.7 | 175.3 | -66.7 | -84.1 | 0 | 0 | 0 | 109.6 | G53 L57 T66 Y67 | G53-H55 PolarHBondContact O-CD2 3.25Å; G53-H55 PolarHBondContact O-N 3.39Å; H55-L57 HydrophobicContact CB-CD1 4.27Å; H55-T66 WeakPolarHBondContact O-CA 3.49Å; H55-Y67 HydrophobicContact CB-CE1 3.96Å |
| 56 | L | 47.4 | Very low | 46.2 | Very low | 116 Ų | 116 | 103.3 Ų | 103.3 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.7 | 117.9 | 179 | -168.1 | 68.1 | 0 | 0 | 0 | 109.1 | P64 T66 | L56-P64 HydrophobicContact CD1-CB 3.6Å; L56-P64 HydrophobicContact CG-CB 4.18Å; L56-T66 HydrophobicContact CD1-CG2 3.55Å |
| 57 | L | 55.3 | Low | 46.7 | Very low | 63 Ų | 63 | 104.9 Ų | 104.9 | 33% | 0.33 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.7 | 138.2 | 172.7 | -80.2 | 82.6 | 0 | 0 | 0 | 108.7 | H55 P64 Y65 Y67 | H55-L57 HydrophobicContact CB-CD1 4.27Å; L57-P64 CarbonylContact O-C 3.57Å; L57-P64 WeakPolarHBondContact O-CA 3.29Å; L57-Y65 HydrophobicContact CB-CD1 4.22Å; L57-Y65 HydrophobicContact CB-CE1 3.72Å; L57-Y65 HydrophobicContact CB-CE2 4.12Å; L57-Y65 WeakPolarHBondContact CD2-OH 3.33Å; L57-Y65 PolarHBondContact N-O 3.07Å; L57-Y65 PolarHBondContact O-N 3.27Å; L57-Y67 HydrophobicContact CD1-CD1 3.72Å; L57-Y67 HydrophobicContact CD1-CE1 3.49Å; L57-Y67 VanDerWaalsContact CD1-CE1 3.49Å |
| 58 | I | 49.6 | Very low | 47.1 | Very low | 118 Ų | 118 | 102.8 Ų | 102.8 | 61% | 0.605 | 54% | 0.538 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 125.7 | 177.7 | -55.6 | -176.4 | 0 | 0 | 0 | 107.2 | G62 | I58-G62 VanDerWaalsContact CG2-CA 3.43Å |
| 59 | D | 46.8 | Very low | 47.9 | Very low | 58 Ų | 58 | 94.5 Ų | 94.5 | 31% | 0.31 | 51% | 0.512 | S | S | . | . | trans | -74.8 | 177.2 | 175.1 | 82 | 1 | 0 | 0 | 0 | 112 | N61 G62 V63 | D59-N61 PolarHBondContact O-N 3.49Å; D59-N61 VanDerWaalsContact O-N 3.09Å; D59-N61 VanDerWaalsContact OD1-C 3.31Å; D59-N61 VanDerWaalsContact OD1-CA 3.28Å; D59-N61 WeakPolarHBondContact OD1-CA 3.25Å; D59-N61 WeakPolarHBondContact OD1-CB 3.25Å; D59-N61 PolarHBondContact OD1-N 3.45Å; D59-G62 PolarHBondContact O-N 3.36Å; D59-G62 PolarHBondContact OD1-N 3.32Å; D59-V63 PolarHBondContact N-O 3.22Å; D59-V63 WeakPolarHBondContact OD1-CB 3.42Å; D59-V63 PolarHBondContact OD1-N 3Å | ||
| 60 | A | 41.8 | Very low | 48 | Very low | 99 Ų | 99 | 96.2 Ų | 96.2 | 82% | 0.818 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -10.2 | -179 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 61 | N | 50.3 | Low | 48.4 | Very low | 137 Ų | 137 | 96.9 Ų | 96.9 | 73% | 0.733 | 51% | 0.509 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.1 | 5.4 | 177.1 | -52.2 | -57.1 | 0 | 0 | 0 | 111.9 | D59 V63 | D59-N61 PolarHBondContact O-N 3.49Å; D59-N61 VanDerWaalsContact O-N 3.09Å; D59-N61 VanDerWaalsContact OD1-C 3.31Å; D59-N61 VanDerWaalsContact OD1-CA 3.28Å; D59-N61 WeakPolarHBondContact OD1-CA 3.25Å; D59-N61 WeakPolarHBondContact OD1-CB 3.25Å; D59-N61 PolarHBondContact OD1-N 3.45Å; N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 HydrophobicContact CB-CG2 4.24Å |
| 62 | G | 50.9 | Low | 48.2 | Very low | 49 Ų | 49 | 95.7 Ų | 95.7 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | S | Bend | trans | 82.9 | 4.6 | -177 | 0 | 0 | 0 | 0 | 0 | 114.2 | I58 D59 P64 | I58-G62 VanDerWaalsContact CG2-CA 3.43Å; D59-G62 PolarHBondContact O-N 3.36Å; D59-G62 PolarHBondContact OD1-N 3.32Å; G62-P64 WeakPolarHBondContact O-CD 3.47Å |
| 63 | V | 46.2 | Very low | 48.1 | Very low | 81 Ų | 81 | 99.1 Ų | 99.1 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | trans | -80.3 | 119.5 | -177.2 | -173.7 | 0 | 0 | 0 | 0 | 109.2 | D59 N61 | D59-V63 PolarHBondContact N-O 3.22Å; D59-V63 WeakPolarHBondContact OD1-CB 3.42Å; D59-V63 PolarHBondContact OD1-N 3Å; N61-V63 VanDerWaalsContact C-N 3.32Å; N61-V63 HydrophobicContact CB-CG2 4.24Å | ||
| 64 | P | 47.8 | Very low | 47.6 | Very low | 81 Ų | 81 | 106 Ų | 106 | 53% | 0.526 | 55% | 0.553 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -74.9 | 129.1 | 176 | 27.1 | -29.5 | 0 | 0 | 0 | 110.5 | L56 L57 G62 | L56-P64 HydrophobicContact CD1-CB 3.6Å; L56-P64 HydrophobicContact CG-CB 4.18Å; L57-P64 CarbonylContact O-C 3.57Å; L57-P64 WeakPolarHBondContact O-CA 3.29Å; G62-P64 WeakPolarHBondContact O-CD 3.47Å |
| 65 | Y | 48 | Very low | 47.3 | Very low | 120 Ų | 120 | 101.6 Ų | 101.6 | 47% | 0.471 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 142.4 | 163.8 | 73.7 | -86.8 | 0 | 0 | 0 | 109.9 | L57 | L57-Y65 HydrophobicContact CB-CD1 4.22Å; L57-Y65 HydrophobicContact CB-CE1 3.72Å; L57-Y65 HydrophobicContact CB-CE2 4.12Å; L57-Y65 WeakPolarHBondContact CD2-OH 3.33Å; L57-Y65 PolarHBondContact N-O 3.07Å; L57-Y65 PolarHBondContact O-N 3.27Å |
| 66 | T | 44.6 | Very low | 46.6 | Very low | 68 Ų | 68 | 109.4 Ų | 109.4 | 42% | 0.417 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -108.4 | 129.9 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 109.3 | H55 L56 | H55-T66 WeakPolarHBondContact O-CA 3.49Å; L56-T66 HydrophobicContact CD1-CG2 3.55Å |
| 67 | Y | 47.1 | Very low | 46.3 | Very low | 81 Ų | 81 | 106.7 Ų | 106.7 | 32% | 0.318 | 58% | 0.575 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 140.2 | 162.2 | 81.5 | -74.6 | 0 | 0 | 0 | 108.7 | H55 L57 V69 Q110 | H55-Y67 HydrophobicContact CB-CE1 3.96Å; L57-Y67 HydrophobicContact CD1-CD1 3.72Å; L57-Y67 HydrophobicContact CD1-CE1 3.49Å; L57-Y67 VanDerWaalsContact CD1-CE1 3.49Å; Y67-V69 HydrophobicContact CD2-CG2 4.07Å; Y67-V69 HydrophobicContact CE2-CB 4.2Å; Y67-V69 HydrophobicContact CE2-CG1 3.89Å; Y67-V69 HydrophobicContact CE2-CG2 3.42Å; Y67-V69 VanDerWaalsContact CE2-CG2 3.42Å; Y67-Q110 PolarHBondContact OH-NE2 3.39Å |
| 68 | T | 42.5 | Very low | 45.4 | Very low | 89 Ų | 89 | 108.8 Ų | 108.8 | 55% | 0.546 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -93 | 122 | 176.6 | 50.5 | 0 | 0 | 0 | 0 | 108.8 | L52 R54 | L52-T68 HydrophobicContact CD2-CG2 4.43Å; R54-T68 HydrophobicContact CG-CG2 4.26Å |
| 69 | V | 54.2 | Low | 45.1 | Very low | 50 Ų | 50 | 109.2 Ų | 109.2 | 30% | 0.303 | 60% | 0.603 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 127.1 | 169.2 | -122 | 0 | 0 | 0 | 0 | 107.9 | G53 Y67 L71 | G53-V69 PolarHBondContact N-O 3.08Å; Y67-V69 HydrophobicContact CD2-CG2 4.07Å; Y67-V69 HydrophobicContact CE2-CB 4.2Å; Y67-V69 HydrophobicContact CE2-CG1 3.89Å; Y67-V69 HydrophobicContact CE2-CG2 3.42Å; Y67-V69 VanDerWaalsContact CE2-CG2 3.42Å; V69-L71 PolarHBondContact O-N 2.77Å; V69-L71 VanDerWaalsContact O-N 3.11Å |
| 70 | Q | 41 | Very low | 45 | Very low | 143 Ų | 143 | 115.1 Ų | 115.1 | 67% | 0.668 | 63% | 0.628 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -69.4 | 101.6 | 163.6 | -74.5 | 172.3 | -30.3 | 0 | 0 | 106.6 | L52 E72 | L52-Q70 HydrophobicContact CD2-CG 4.09Å; Q70-E72 PolarHBondContact O-N 3.43Å |
| 71 | L | 48.7 | Very low | 45.3 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 52% | 0.518 | 63% | 0.634 | S | S | . | * | trans | -79.5 | 94.3 | 165.5 | -70 | 169.2 | 0 | 0 | 0 | 106.1 | V69 E73 | V69-L71 PolarHBondContact O-N 2.77Å; V69-L71 VanDerWaalsContact O-N 3.11Å; L71-E73 PolarHBondContact O-N 3.42Å; L71-E73 VanDerWaalsContact O-N 3.15Å | ||
| 72 | E | 43.1 | Very low | 44.8 | Very low | 165 Ų | 165 | 124.9 Ų | 124.9 | 77% | 0.771 | 64% | 0.642 | S | S | * | * | trans | -69.4 | 105.7 | 163.5 | -61.4 | -167.8 | 128.5 | 0 | 0 | 106.5 | Q70 E74 | Q70-E72 PolarHBondContact O-N 3.43Å; E72-E74 PolarHBondContact O-N 3.13Å | ||
| 73 | E | 47 | Very low | 44.3 | Very low | 165 Ų | 165 | 127.2 Ų | 127.2 | 77% | 0.771 | 66% | 0.657 | S | S | * | * | trans | -67.5 | 87.8 | 167.4 | -79.7 | -165.2 | 98.3 | 0 | 0 | 107.7 | L71 | L71-E73 PolarHBondContact O-N 3.42Å; L71-E73 VanDerWaalsContact O-N 3.15Å | ||
| 74 | E | 41.2 | Very low | 44.1 | Very low | 162 Ų | 162 | 129.2 Ų | 129.2 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | trans | -67 | 138.4 | 166.6 | -85.7 | -67.7 | 100 | 0 | 0 | 109.7 | E72 | E72-E74 PolarHBondContact O-N 3.13Š| ||
| 75 | P | 40.3 | Very low | 43.9 | Very low | 99 Ų | 99 | 132 Ų | 132 | 64% | 0.643 | 69% | 0.687 | S | S | * | * | trans | -63.4 | 146.4 | -161.8 | 24.4 | -32.9 | 0 | 0 | 0 | 111.8 | G77 | P75-G77 PolarHBondContact O-N 3.36Š| ||
| 76 | R | 44.3 | Very low | 43.9 | Very low | 254 Ų | 254 | 130.1 Ų | 130.1 | 96% | 0.958 | 70% | 0.704 | S | S | * | * | trans | -41 | 107.9 | 166.7 | -95.9 | 175.2 | -94.9 | -164.9 | -6.5 | 109.2 | ||||
| 77 | G | 42 | Very low | 43.7 | Very low | 59 Ų | 59 | 134.5 Ų | 134.5 | 61% | 0.608 | 72% | 0.72 | S | S | * | * | trans | -55.6 | 162.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | P75 | P75-G77 PolarHBondContact O-N 3.36Š| ||
| 78 | P | 36.8 | Very low | 43.7 | Very low | 107 Ų | 107 | 136.1 Ų | 136.1 | 70% | 0.695 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -56.4 | 150.7 | -168.5 | 23.3 | -32.9 | 0 | 0 | 0 | 111.8 | Q80 | P78-Q80 PolarHBondContact O-N 2.78Š|
| 79 | P | 43.1 | Very low | 44 | Very low | 128 Ų | 128 | 134.3 Ų | 134.3 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | -57.2 | 115 | -178.4 | 24.2 | -31.5 | 0 | 0 | 0 | 108.5 | R81 | P79-R81 PolarHBondContact O-N 3.2Š| ||
| 80 | Q | 44.2 | Very low | 43.9 | Very low | 181 Ų | 181 | 138.1 Ų | 138.1 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 127.3 | 178.8 | -68.6 | -84.8 | -34.6 | 0 | 0 | 107.9 | P78 | P78-Q80 PolarHBondContact O-N 2.78Š|
| 81 | R | 47.3 | Very low | 44.4 | Very low | 247 Ų | 247 | 143.1 Ų | 143.1 | 93% | 0.932 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 144.4 | 178.6 | -74.6 | 175.3 | 158.9 | -156.4 | -5.7 | 111.1 | P79 | P79-R81 PolarHBondContact O-N 3.2Š|
| 82 | E | 40.6 | Very low | 45.2 | Very low | 195 Ų | 195 | 148.1 Ų | 148.1 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -48.2 | 135.8 | -174.7 | -65.8 | 176.3 | 104.4 | 0 | 0 | 113.1 | ||
| 83 | A | 39.4 | Very low | 46.6 | Very low | 98 Ų | 98 | 141.8 Ų | 141.8 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 127.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||
| 84 | T | 42.4 | Very low | 48 | Very low | 122 Ų | 122 | 138.9 Ų | 138.9 | 75% | 0.748 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 125.6 | 160.3 | 45 | 0 | 0 | 0 | 0 | 109.3 | G86 | T84-G86 PolarHBondContact O-N 3.46Š|
| 85 | P | 43.4 | Very low | 49.6 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 90% | 0.903 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.4 | 117.9 | 178.4 | -13.4 | 28.3 | 0 | 0 | 0 | 110.8 | ||
| 86 | G | 49.7 | Very low | 51.2 | Low | 81 Ų | 81 | 130.1 Ų | 130.1 | 84% | 0.835 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 147.2 | -12.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 117.4 | T84 | T84-G86 PolarHBondContact O-N 3.46Š|
| 87 | E | 39.7 | Very low | 52.4 | Low | 161 Ų | 161 | 123 Ų | 123 | 75% | 0.752 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -89.4 | 133.9 | 176.6 | -94.8 | -104.1 | 93.7 | 0 | 0 | 111.1 | G89 | E87-G89 PolarHBondContact O-N 3.47Š|
| 88 | P | 47.3 | Very low | 53.7 | Low | 114 Ų | 114 | 125.1 Ų | 125.1 | 74% | 0.74 | 70% | 0.697 | S | S | * | * | trans | -60.9 | 102.2 | 167.8 | 23.3 | -27.5 | 0 | 0 | 0 | 108 | ||||
| 89 | G | 48.8 | Very low | 55.5 | Low | 52 Ų | 52 | 122.7 Ų | 122.7 | 54% | 0.536 | 68% | 0.682 | S | S | . | * | trans | -52.2 | 155.3 | -166.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | E87 R91 | E87-G89 PolarHBondContact O-N 3.47Å; G89-R91 PolarHBondContact O-N 2.93Å; G89-R91 VanDerWaalsContact O-N 3.11Å | ||
| 90 | P | 52.5 | Low | 57.1 | Low | 130 Ų | 130 | 120.3 Ų | 120.3 | 84% | 0.844 | 67% | 0.673 | S | S | * | * | trans | -52 | 123.7 | -176.3 | 21.4 | -32.2 | 0 | 0 | 0 | 109.1 | K92 | P90-K92 VanDerWaalsContact C-N 3.34Å; P90-K92 PolarHBondContact O-N 2.87Å | ||
| 91 | R | 50.4 | Low | 58.3 | Low | 247 Ų | 247 | 119.5 Ų | 119.5 | 93% | 0.932 | 66% | 0.662 | S | S | * | * | trans | -54.4 | 102.8 | 174.5 | -73 | -177.2 | 177.8 | -106.2 | 1 | 107.1 | G89 G93 | G89-R91 PolarHBondContact O-N 2.93Å; G89-R91 VanDerWaalsContact O-N 3.11Å; R91-G93 PolarHBondContact O-N 3.3Å | ||
| 92 | K | 65.2 | Low | 59.7 | Low | 205 Ų | 205 | 112.3 Ų | 112.3 | 89% | 0.891 | 65% | 0.645 | S | S | * | * | trans | -71.2 | 86.4 | -175.6 | -152.7 | 168.7 | -170.6 | -175.2 | 0 | 107.8 | P90 | P90-K92 VanDerWaalsContact C-N 3.34Å; P90-K92 PolarHBondContact O-N 2.87Å | ||
| 93 | G | 74.1 | Confident | 61.4 | Low | 31 Ų | 31 | 104.7 Ų | 104.7 | 32% | 0.32 | 61% | 0.609 | S | S | . | * | trans | -92.9 | 160.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | R91 F103 | R91-G93 PolarHBondContact O-N 3.3Å; G93-F103 CarbonylContact C-O 3.52Å; G93-F103 WeakPolarHBondContact CA-O 3.4Å | ||
| 94 | Y | 75.8 | Confident | 63.2 | Low | 105 Ų | 105 | 104.1 Ų | 104.1 | 41% | 0.412 | 61% | 0.605 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -97.7 | 107.6 | 177.9 | -61.5 | -92 | 0 | 0 | 0 | 107.9 | F103 S105 P106 | Y94-F103 PolarHBondContact N-O 2.8Å; Y94-F103 PolarHBondContact O-N 3.47Å; Y94-S105 VanDerWaalsContact CD2-C 3.46Å; Y94-P106 HydrophobicContact CD1-CB 3.87Å; Y94-P106 HydrophobicContact CE1-CB 3.73Å; Y94-P106 HydrophobicContact CE1-CG 4.07Å; Y94-P106 HydrophobicContact CE2-CB 4.48Å; Y94-P106 VanDerWaalsContact CE2-CD 3.44Å; Y94-P106 HydrophobicContact CE2-CG 4.3Å; Y94-P106 HydrophobicContact CG-CB 4.29Å |
| 95 | S | 73.5 | Confident | 64.7 | Low | 75 Ų | 75 | 100 Ų | 100 | 52% | 0.524 | 58% | 0.581 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.5 | 142.9 | -178.9 | 54.3 | 0 | 0 | 0 | 0 | 112.1 | R101 L109 | S95-R101 CarbonylContact C-O 3.57Å; S95-R101 WeakPolarHBondContact CA-O 3.38Å; S95-L109 WeakPolarHBondContact O-CD2 3.25Å |
| 96 | C | 75.4 | Confident | 66 | Low | 1 Ų | 1 | 96.2 Ų | 96.2 | 1% | 0.007 | 56% | 0.556 | C | S | . | * | trans | -83.6 | 126 | 171.2 | -176.1 | 0 | 0 | 0 | 0 | 110.2 | E98 A100 R101 F103 L109 H116 | C96-E98 PolarHBondContact O-N 2.98Å; C96-A100 WeakPolarHBondContact O-CA 2.99Å; C96-A100 PolarHBondContact O-N 2.93Å; C96-R101 PolarHBondContact N-O 3.22Å; C96-F103 HydrophobicContact CB-CE2 4.36Å; C96-L109 HydrophobicContact CB-CD1 3.6Å; C96-H116 VanDerWaalsContact SG-CD2 3.56Å; C96-H116 PolarHBondContact SG-NE2 3.27Å | ||
| 97 | P | 69.2 | Low | 66.9 | Low | 104 Ų | 104 | 99 Ų | 99 | 68% | 0.675 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -23.9 | -179.8 | 26.8 | -33.4 | 0 | 0 | 0 | 113 | ||
| 98 | E | 69.6 | Low | 68.2 | Low | 104 Ų | 104 | 99.1 Ų | 99.1 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -22.3 | -173.8 | -64 | 162.8 | -113 | 0 | 0 | 112.7 | C96 R113 H116 | C96-E98 PolarHBondContact O-N 2.98Å; E98-R113 IonicContact OE1-NE 3.29Å; E98-H116 WeakPolarHBondContact OE2-CB 3.39Å; E98-H116 IonicContact OE2-CD2 3.5Å; E98-H116 IonicContact OE2-CG 3.72Å; E98-H116 VanDerWaalsContact OE2-CG 3.29Å |
| 99 | C | 75 | Confident | 69.5 | Low | 57 Ų | 57 | 94.9 Ų | 94.9 | 39% | 0.385 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -145.2 | 10.8 | -178.4 | 69.5 | 0 | 0 | 0 | 0 | 114.8 | R101 H112 H116 | C99-R101 PolarHBondContact O-N 3.3Å; C99-H112 PolarHBondContact SG-NE2 3.29Å; C99-H116 VanDerWaalsContact SG-CE1 3.59Å; C99-H116 PolarHBondContact SG-NE2 3.34Å |
| 100 | A | 75.1 | Confident | 70.6 | Confident | 78 Ų | 78 | 97.4 Ų | 97.4 | 65% | 0.645 | 51% | 0.514 | S | S | * | . | trans | 56.7 | 9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | C96 | C96-A100 WeakPolarHBondContact O-CA 2.99Å; C96-A100 PolarHBondContact O-N 2.93Å | ||
| 101 | R | 69.6 | Low | 71.2 | Confident | 163 Ų | 163 | 94.4 Ų | 94.4 | 62% | 0.615 | 50% | 0.496 | S | S | * | . | trans | -71.7 | 133.1 | -177.7 | -160.2 | 167.8 | -175.1 | 165.8 | 2.5 | 111.3 | S95 C96 C99 F103 | S95-R101 CarbonylContact C-O 3.57Å; S95-R101 WeakPolarHBondContact CA-O 3.38Å; C96-R101 PolarHBondContact N-O 3.22Å; C99-R101 PolarHBondContact O-N 3.3Å; R101-F103 HydrophobicContact CB-CE2 3.94Å; R101-F103 HydrophobicContact CB-CZ 4.22Å; R101-F103 HydrophobicContact CG-CE2 4.1Å; R101-F103 HydrophobicContact CG-CZ 3.98Å; R101-F103 WeakPolarHBondContact O-CD2 3.32Å; R101-F103 WeakPolarHBondContact O-CE2 3.32Å | ||
| 102 | V | 77.2 | Confident | 72.4 | Confident | 96 Ų | 96 | 84 Ų | 84 | 58% | 0.582 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 131.3 | -175 | -174.8 | 0 | 0 | 0 | 0 | 111.2 | ||
| 103 | F | 76.2 | Confident | 72.6 | Confident | 35 Ų | 35 | 80.4 Ų | 80.4 | 15% | 0.154 | 44% | 0.439 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 147.1 | -179.9 | -62.8 | -89.5 | 0 | 0 | 0 | 111.3 | G93 Y94 C96 R101 S105 R108 L109 H112 | G93-F103 CarbonylContact C-O 3.52Å; G93-F103 WeakPolarHBondContact CA-O 3.4Å; Y94-F103 PolarHBondContact N-O 2.8Å; Y94-F103 PolarHBondContact O-N 3.47Å; C96-F103 HydrophobicContact CB-CE2 4.36Å; R101-F103 HydrophobicContact CB-CE2 3.94Å; R101-F103 HydrophobicContact CB-CZ 4.22Å; R101-F103 HydrophobicContact CG-CE2 4.1Å; R101-F103 HydrophobicContact CG-CZ 3.98Å; R101-F103 WeakPolarHBondContact O-CD2 3.32Å; R101-F103 WeakPolarHBondContact O-CE2 3.32Å; F103-S105 PolarHBondContact O-N 3.2Å; F103-R108 HydrophobicContact CB-CB 4.19Å; F103-R108 HydrophobicContact CD1-CB 4.02Å; F103-R108 HydrophobicContact CG-CB 4.41Å; F103-L109 HydrophobicContact CB-CB 4.14Å; F103-L109 HydrophobicContact CD2-CB 4.01Å; F103-L109 HydrophobicContact CD2-CD1 3.71Å; F103-L109 HydrophobicContact CD2-CG 4.48Å; F103-L109 HydrophobicContact CE2-CD1 4.03Å; F103-L109 HydrophobicContact CG-CB 4.25Å; F103-H112 HydrophobicContact CE1-CB 3.86Å; F103-H112 AromaticContact CE1-CG 4Å; F103-H112 HydrophobicContact CE2-CB 3.87Å; F103-H112 AromaticContact CE2-CD2 3.23Å; F103-H112 WeakPolarHBondContact CE2-CD2 3.11Å; F103-H112 AromaticContact CE2-CG 3.53Å; F103-H112 AromaticContact CE2-NE2 3.85Å; F103-H112 HydrophobicContact CZ-CB 3.45Å; F103-H112 VanDerWaalsContact CZ-CB 3.45Å; F103-H112 AromaticContact CZ-CD2 3.33Å; F103-H112 WeakPolarHBondContact CZ-CD2 3.44Å; F103-H112 AromaticContact CZ-CE1 3.97Å; F103-H112 AromaticContact CZ-CG 3.13Å; F103-H112 AromaticContact CZ-ND1 3.58Å; F103-H112 AromaticContact CZ-NE2 3.83Å |
| 104 | A | 77.9 | Confident | 72.2 | Confident | 87 Ų | 87 | 80.9 Ų | 80.9 | 72% | 0.719 | 44% | 0.435 | S | S | * | . | S | Bend | trans | -74.5 | -11.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 105 | S | 73.7 | Confident | 71.6 | Confident | 34 Ų | 34 | 78.4 Ų | 78.4 | 24% | 0.238 | 43% | 0.433 | C | S | . | . | S | Bend | trans | -147.3 | 150.7 | -178.9 | 71.1 | 0 | 0 | 0 | 0 | 112.1 | Y94 F103 L107 R108 L109 | Y94-S105 VanDerWaalsContact CD2-C 3.46Å; F103-S105 PolarHBondContact O-N 3.2Å; S105-L107 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 2.82Å; S105-R108 PolarHBondContact O-N 2.97Å; S105-R108 WeakPolarHBondContact OG-CB 3.33Å; S105-R108 VanDerWaalsContact OG-CG 3.3Å; S105-R108 WeakPolarHBondContact OG-CG 3.48Å; S105-R108 PolarHBondContact OG-N 2.78Å; S105-L109 PolarHBondContact O-N 2.86Å; S105-L109 VanDerWaalsContact O-N 3.11Å |
| 106 | P | 69.4 | Low | 71.2 | Confident | 60 Ų | 60 | 78.1 Ų | 78.1 | 39% | 0.39 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -67.6 | -34.4 | -178.1 | 25.3 | -28.9 | 0 | 0 | 0 | 111.3 | Y94 R108 L109 Q110 | Y94-P106 HydrophobicContact CD1-CB 3.87Å; Y94-P106 HydrophobicContact CE1-CB 3.73Å; Y94-P106 HydrophobicContact CE1-CG 4.07Å; Y94-P106 HydrophobicContact CE2-CB 4.48Å; Y94-P106 VanDerWaalsContact CE2-CD 3.44Å; Y94-P106 HydrophobicContact CE2-CG 4.3Å; Y94-P106 HydrophobicContact CG-CB 4.29Å; P106-R108 VanDerWaalsContact C-N 3.32Å; P106-R108 PolarHBondContact O-N 3.04Å; P106-L109 PolarHBondContact O-N 2.91Å; P106-Q110 VanDerWaalsContact O-CB 3.28Å; P106-Q110 WeakPolarHBondContact O-CB 3.48Å; P106-Q110 PolarHBondContact O-N 2.8Å |
| 107 | L | 70.3 | Confident | 70.4 | Confident | 140 Ų | 140 | 79.7 Ų | 79.7 | 73% | 0.733 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.3 | -39.5 | 173.6 | -79.9 | 152.6 | 0 | 0 | 0 | 112.7 | S105 Q110 S111 | S105-L107 VanDerWaalsContact C-N 3.32Å; S105-L107 PolarHBondContact O-N 2.82Å; L107-Q110 PolarHBondContact O-N 3.13Å; L107-S111 PolarHBondContact O-N 3.12Å |
| 108 | R | 66.7 | Low | 69.8 | Low | 164 Ų | 164 | 81.3 Ų | 81.3 | 62% | 0.619 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -72.1 | -41.5 | 177.2 | -76 | -176.9 | -174.9 | 179.9 | 4.6 | 111.6 | F103 S105 P106 Q110 H112 | F103-R108 HydrophobicContact CB-CB 4.19Å; F103-R108 HydrophobicContact CD1-CB 4.02Å; F103-R108 HydrophobicContact CG-CB 4.41Å; S105-R108 PolarHBondContact O-N 2.97Å; S105-R108 WeakPolarHBondContact OG-CB 3.33Å; S105-R108 VanDerWaalsContact OG-CG 3.3Å; S105-R108 WeakPolarHBondContact OG-CG 3.48Å; S105-R108 PolarHBondContact OG-N 2.78Å; P106-R108 VanDerWaalsContact C-N 3.32Å; P106-R108 PolarHBondContact O-N 3.04Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 3.06Å; R108-H112 VanDerWaalsContact O-CB 3.28Å; R108-H112 WeakPolarHBondContact O-CB 3.28Å; R108-H112 PolarHBondContact O-N 3.17Å |
| 109 | L | 74.3 | Confident | 69.1 | Low | 24 Ų | 24 | 82.4 Ų | 82.4 | 13% | 0.126 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.3 | -44.7 | 172 | 172.7 | 62.1 | 0 | 0 | 0 | 110.5 | S95 C96 F103 S105 P106 H112 R113 | S95-L109 WeakPolarHBondContact O-CD2 3.25Å; C96-L109 HydrophobicContact CB-CD1 3.6Å; F103-L109 HydrophobicContact CB-CB 4.14Å; F103-L109 HydrophobicContact CD2-CB 4.01Å; F103-L109 HydrophobicContact CD2-CD1 3.71Å; F103-L109 HydrophobicContact CD2-CG 4.48Å; F103-L109 HydrophobicContact CE2-CD1 4.03Å; F103-L109 HydrophobicContact CG-CB 4.25Å; S105-L109 PolarHBondContact O-N 2.86Å; S105-L109 VanDerWaalsContact O-N 3.11Å; P106-L109 PolarHBondContact O-N 2.91Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.39Å; L109-H112 WeakPolarHBondContact O-CB 3.38Å; L109-H112 PolarHBondContact O-N 2.75Å; L109-H112 VanDerWaalsContact O-N 3.12Å; L109-R113 HydrophobicContact CD1-CG 4.23Å; L109-R113 WeakPolarHBondContact O-CG 3.49Å; L109-R113 PolarHBondContact O-N 3.03Å |
| 110 | Q | 70.9 | Confident | 68.6 | Low | 105 Ų | 105 | 84.6 Ų | 84.6 | 49% | 0.491 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | -178.5 | -171.8 | 160.8 | -3.6 | 0 | 0 | 112.1 | Y67 P106 L107 R108 H112 R113 V114 | Y67-Q110 PolarHBondContact OH-NE2 3.39Å; P106-Q110 VanDerWaalsContact O-CB 3.28Å; P106-Q110 WeakPolarHBondContact O-CB 3.48Å; P106-Q110 PolarHBondContact O-N 2.8Å; L107-Q110 PolarHBondContact O-N 3.13Å; R108-Q110 VanDerWaalsContact C-N 3.3Å; R108-Q110 PolarHBondContact O-N 3.06Å; Q110-H112 PolarHBondContact O-N 2.78Å; Q110-R113 PolarHBondContact O-N 3.28Å; Q110-V114 PolarHBondContact O-N 3.19Å |
| 111 | S | 65.9 | Low | 68.1 | Low | 67 Ų | 67 | 84.4 Ų | 84.4 | 47% | 0.469 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -31.8 | 172.1 | -178.2 | 0 | 0 | 0 | 0 | 112.6 | L107 | L107-S111 PolarHBondContact O-N 3.12Å |
| 112 | H | 75.4 | Confident | 68.1 | Low | 30 Ų | 30 | 80.1 Ų | 80.1 | 14% | 0.139 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.4 | -36.2 | 175.9 | 169.4 | 68.7 | 0 | 0 | 0 | 112.2 | C99 F103 R108 L109 Q110 V114 S115 H116 | C99-H112 PolarHBondContact SG-NE2 3.29Å; F103-H112 HydrophobicContact CE1-CB 3.86Å; F103-H112 AromaticContact CE1-CG 4Å; F103-H112 HydrophobicContact CE2-CB 3.87Å; F103-H112 AromaticContact CE2-CD2 3.23Å; F103-H112 WeakPolarHBondContact CE2-CD2 3.11Å; F103-H112 AromaticContact CE2-CG 3.53Å; F103-H112 AromaticContact CE2-NE2 3.85Å; F103-H112 HydrophobicContact CZ-CB 3.45Å; F103-H112 VanDerWaalsContact CZ-CB 3.45Å; F103-H112 AromaticContact CZ-CD2 3.33Å; F103-H112 WeakPolarHBondContact CZ-CD2 3.44Å; F103-H112 AromaticContact CZ-CE1 3.97Å; F103-H112 AromaticContact CZ-CG 3.13Å; F103-H112 AromaticContact CZ-ND1 3.58Å; F103-H112 AromaticContact CZ-NE2 3.83Å; R108-H112 VanDerWaalsContact O-CB 3.28Å; R108-H112 WeakPolarHBondContact O-CB 3.28Å; R108-H112 PolarHBondContact O-N 3.17Å; L109-H112 CarbonylContact O-C 3.55Å; L109-H112 WeakPolarHBondContact O-CA 3.39Å; L109-H112 WeakPolarHBondContact O-CB 3.38Å; L109-H112 PolarHBondContact O-N 2.75Å; L109-H112 VanDerWaalsContact O-N 3.12Å; Q110-H112 PolarHBondContact O-N 2.78Å; H112-V114 PolarHBondContact O-N 3.31Å; H112-S115 PolarHBondContact ND1-OG 3.27Å; H112-S115 WeakPolarHBondContact O-CA 3.48Å; H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.31Å; H112-S115 PolarHBondContact O-OG 3.48Å; H112-H116 AromaticContact CD2-NE2 3.99Å; H112-H116 AromaticContact CE1-NE2 3.7Å; H112-H116 AromaticContact NE2-CD2 4Å; H112-H116 AromaticContact NE2-CE1 3.99Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.34Å; H112-H116 VanDerWaalsContact NE2-NE2 3.2Å |
| 113 | R | 68.4 | Low | 67.5 | Low | 129 Ų | 129 | 79.5 Ų | 79.5 | 49% | 0.487 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.5 | -31.8 | 176.4 | -71.6 | -178 | 71 | -167.4 | 0.4 | 112.7 | E98 L109 Q110 S115 H116 S117 | E98-R113 IonicContact OE1-NE 3.29Å; L109-R113 HydrophobicContact CD1-CG 4.23Å; L109-R113 WeakPolarHBondContact O-CG 3.49Å; L109-R113 PolarHBondContact O-N 3.03Å; Q110-R113 PolarHBondContact O-N 3.28Å; R113-S115 PolarHBondContact O-N 3.43Å; R113-S115 VanDerWaalsContact O-N 3.12Å; R113-H116 PolarHBondContact O-N 3.46Å; R113-S117 PolarHBondContact O-N 3.39Å |
| 114 | V | 67.3 | Low | 67.5 | Low | 40 Ų | 40 | 78 Ų | 78 | 24% | 0.242 | 42% | 0.417 | C | S | . | . | H | α-helix | trans | -60.6 | -21.2 | 170.3 | -176.1 | 0 | 0 | 0 | 0 | 112.1 | Q110 H112 S117 P121 | Q110-V114 PolarHBondContact O-N 3.19Å; H112-V114 PolarHBondContact O-N 3.31Å; V114-S117 WeakPolarHBondContact CA-OG 3.47Å; V114-S117 PolarHBondContact O-OG 3.27Å; V114-S117 VanDerWaalsContact O-OG 3.05Å; V114-P121 HydrophobicContact CG1-CG 4.16Å |
| 115 | S | 63.3 | Low | 67 | Low | 53 Ų | 53 | 78.6 Ų | 78.6 | 37% | 0.371 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -73.7 | -29.2 | 175.2 | 78.7 | 0 | 0 | 0 | 0 | 113.7 | H112 R113 K132 | H112-S115 PolarHBondContact ND1-OG 3.27Å; H112-S115 WeakPolarHBondContact O-CA 3.48Å; H112-S115 WeakPolarHBondContact O-CB 3.42Å; H112-S115 PolarHBondContact O-N 3.31Å; H112-S115 PolarHBondContact O-OG 3.48Å; R113-S115 PolarHBondContact O-N 3.43Å; R113-S115 VanDerWaalsContact O-N 3.12Å; S115-K132 PolarHBondContact O-NZ 3.22Å |
| 116 | H | 65.1 | Low | 66.5 | Low | 69 Ų | 69 | 80.8 Ų | 80.8 | 32% | 0.319 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -80.2 | -30.1 | 175.3 | -63 | -57.4 | 0 | 0 | 0 | 112.5 | C96 E98 C99 H112 R113 | C96-H116 VanDerWaalsContact SG-CD2 3.56Å; C96-H116 PolarHBondContact SG-NE2 3.27Å; E98-H116 WeakPolarHBondContact OE2-CB 3.39Å; E98-H116 IonicContact OE2-CD2 3.5Å; E98-H116 IonicContact OE2-CG 3.72Å; E98-H116 VanDerWaalsContact OE2-CG 3.29Å; C99-H116 VanDerWaalsContact SG-CE1 3.59Å; C99-H116 PolarHBondContact SG-NE2 3.34Å; H112-H116 AromaticContact CD2-NE2 3.99Å; H112-H116 AromaticContact CE1-NE2 3.7Å; H112-H116 AromaticContact NE2-CD2 4Å; H112-H116 AromaticContact NE2-CE1 3.99Å; H112-H116 AromaticContact NE2-NE2 3.2Å; H112-H116 PolarHBondContact NE2-NE2 3.34Å; H112-H116 VanDerWaalsContact NE2-NE2 3.2Å; R113-H116 PolarHBondContact O-N 3.46Å |
| 117 | S | 58.7 | Low | 66.5 | Low | 34 Ų | 34 | 80.6 Ų | 80.6 | 24% | 0.238 | 44% | 0.442 | C | S | . | . | S | Bend | trans | -77.3 | 140.2 | 171.1 | 66.2 | 0 | 0 | 0 | 0 | 111.6 | R113 V114 L119 | R113-S117 PolarHBondContact O-N 3.39Å; V114-S117 WeakPolarHBondContact CA-OG 3.47Å; V114-S117 PolarHBondContact O-OG 3.27Å; V114-S117 VanDerWaalsContact O-OG 3.05Å; S117-L119 PolarHBondContact O-N 3.18Å |
| 118 | D | 55.2 | Low | 66.1 | Low | 138 Ų | 138 | 76.7 Ų | 76.7 | 74% | 0.738 | 44% | 0.435 | S | S | * | . | trans | -70.6 | -0.9 | 166.2 | -73.9 | -54 | 0 | 0 | 0 | 113.4 | K120 | D118-K120 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact O-N 3.12Å | ||
| 119 | L | 55.2 | Low | 66.2 | Low | 127 Ų | 127 | 75 Ų | 75 | 67% | 0.665 | 43% | 0.433 | S | S | * | . | trans | -60.8 | 115.1 | 172.9 | -58.7 | 175.4 | 0 | 0 | 0 | 109.3 | S117 P121 | S117-L119 PolarHBondContact O-N 3.18Å; L119-P121 VanDerWaalsContact C-CD 3.42Å; L119-P121 WeakPolarHBondContact O-CD 3.45Å | ||
| 120 | K | 65.6 | Low | 65.9 | Low | 104 Ų | 104 | 75.7 Ų | 75.7 | 45% | 0.452 | 44% | 0.441 | S | S | . | . | trans | -108 | 80.9 | 173.1 | -72.6 | 157.2 | -176.6 | 168.9 | 0 | 107.3 | D118 F122 A130 F131 K132 | D118-K120 PolarHBondContact O-N 3.11Å; D118-K120 VanDerWaalsContact O-N 3.12Å; K120-F122 PolarHBondContact O-N 3.42Å; K120-A130 HydrophobicContact CB-CB 3.34Å; K120-A130 HydrophobicContact CD-CB 3.84Å; K120-A130 HydrophobicContact CG-CB 4.16Å; K120-F131 CarbonylContact C-O 3.59Å; K120-F131 WeakPolarHBondContact CA-O 3.48Å; K120-K132 HydrophobicContact CG-CG 4.07Å | ||
| 121 | P | 64.8 | Low | 65.9 | Low | 74 Ų | 74 | 72.7 Ų | 72.7 | 48% | 0.481 | 43% | 0.427 | S | S | . | . | trans | -66.4 | -13.2 | -169.8 | 24.9 | -33.8 | 0 | 0 | 0 | 113.4 | V114 L119 | V114-P121 HydrophobicContact CG1-CG 4.16Å; L119-P121 VanDerWaalsContact C-CD 3.42Å; L119-P121 WeakPolarHBondContact O-CD 3.45Å | ||
| 122 | F | 67.9 | Low | 65.8 | Low | 73 Ų | 73 | 73 Ų | 73 | 32% | 0.32 | 42% | 0.42 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 92.8 | -177.8 | -55.3 | -74.5 | 0 | 0 | 0 | 110.6 | K120 A130 F131 L137 | K120-F122 PolarHBondContact O-N 3.42Å; F122-A130 CarbonylContact O-C 3.35Å; F122-A130 WeakPolarHBondContact O-CA 3.29Å; F122-F131 HydrophobicContact CB-CB 4.24Å; F122-F131 WeakPolarHBondContact CB-O 3.49Å; F122-F131 WeakPolarHBondContact CD2-O 3.43Å; F122-F131 PolarHBondContact N-O 3.37Å; F122-F131 VanDerWaalsContact N-O 3.13Å; F122-F131 WeakPolarHBondContact O-CD2 3.48Å; F122-F131 PolarHBondContact O-N 3.15Å; F122-L137 HydrophobicContact CB-CB 3.96Å; F122-L137 HydrophobicContact CB-CD2 3.8Å; F122-L137 HydrophobicContact CB-CG 4.45Å |
| 123 | T | 65.5 | Low | 65.6 | Low | 83 Ų | 83 | 77.4 Ų | 77.4 | 51% | 0.509 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 142.1 | 178.3 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | K129 A130 | T123-K129 CarbonylContact C-O 3.56Å; T123-A130 HydrophobicContact CG2-CB 3.67Å |
| 124 | C | 75.4 | Confident | 65.6 | Low | 3 Ų | 3 | 74.6 Ų | 74.6 | 2% | 0.02 | 44% | 0.435 | C | S | . | . | trans | -83.6 | 116.3 | 171.1 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | A126 C127 G128 K129 L137 H140 H144 | C124-A126 PolarHBondContact O-N 3.04Å; C124-C127 PolarHBondContact O-N 3.37Å; C124-G128 VanDerWaalsContact O-CA 3.25Å; C124-G128 WeakPolarHBondContact O-CA 3.38Å; C124-G128 PolarHBondContact O-N 3.15Å; C124-K129 WeakPolarHBondContact CB-O 3.48Å; C124-K129 PolarHBondContact N-O 3.29Å; C124-L137 HydrophobicContact CB-CD1 3.8Å; C124-H140 PolarHBondContact SG-NE2 3.22Å; C124-H144 PolarHBondContact SG-NE2 2.96Å | ||
| 125 | A | 68.3 | Low | 66 | Low | 100 Ų | 100 | 76 Ų | 76 | 83% | 0.826 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -27.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 126 | A | 63.5 | Low | 66.5 | Low | 79 Ų | 79 | 76 Ų | 76 | 65% | 0.653 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -26.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C124 | C124-A126 PolarHBondContact O-N 3.04Š|
| 127 | C | 68.7 | Low | 67.2 | Low | 57 Ų | 57 | 73.4 Ų | 73.4 | 39% | 0.385 | 43% | 0.429 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -143.4 | 6.1 | -174.7 | 69 | 0 | 0 | 0 | 0 | 114.9 | C124 K129 H140 H144 | C124-C127 PolarHBondContact O-N 3.37Å; C127-K129 PolarHBondContact O-N 3.28Å; C127-K129 VanDerWaalsContact O-N 3.07Å; C127-H140 PolarHBondContact SG-NE2 3.09Å; C127-H144 PolarHBondContact SG-NE2 3.25Å; C127-H144 VanDerWaalsContact SG-NE2 3.43Å |
| 128 | G | 62.7 | Low | 68 | Low | 57 Ų | 57 | 75.6 Ų | 75.6 | 59% | 0.588 | 44% | 0.444 | S | S | * | . | trans | 71.2 | -3.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | C124 A130 | C124-G128 VanDerWaalsContact O-CA 3.25Å; C124-G128 WeakPolarHBondContact O-CA 3.38Å; C124-G128 PolarHBondContact O-N 3.15Å; G128-A130 PolarHBondContact O-N 3.11Å | ||
| 129 | K | 68.3 | Low | 69 | Low | 130 Ų | 130 | 77 Ų | 77 | 57% | 0.565 | 44% | 0.439 | S | S | * | . | trans | -64.9 | 130.4 | -178.5 | -71.1 | -173.7 | -179 | -170.4 | 0 | 111.4 | T123 C124 C127 F131 | T123-K129 CarbonylContact C-O 3.56Å; C124-K129 WeakPolarHBondContact CB-O 3.48Å; C124-K129 PolarHBondContact N-O 3.29Å; C127-K129 PolarHBondContact O-N 3.28Å; C127-K129 VanDerWaalsContact O-N 3.07Å; K129-F131 HydrophobicContact CB-CE2 3.94Å; K129-F131 HydrophobicContact CB-CZ 4.1Å; K129-F131 WeakPolarHBondContact O-CE2 3.48Å | ||
| 130 | A | 67.3 | Low | 70.3 | Confident | 37 Ų | 37 | 72.1 Ų | 72.1 | 31% | 0.306 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 137.2 | -174.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | K120 F122 T123 G128 | K120-A130 HydrophobicContact CB-CB 3.34Å; K120-A130 HydrophobicContact CD-CB 3.84Å; K120-A130 HydrophobicContact CG-CB 4.16Å; F122-A130 CarbonylContact O-C 3.35Å; F122-A130 WeakPolarHBondContact O-CA 3.29Å; T123-A130 HydrophobicContact CG2-CB 3.67Å; G128-A130 PolarHBondContact O-N 3.11Å |
| 131 | F | 72.2 | Confident | 70.7 | Confident | 43 Ų | 43 | 73 Ų | 73 | 19% | 0.189 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.3 | -175.3 | -58.2 | -89.3 | 0 | 0 | 0 | 111.3 | K120 F122 K129 H136 L137 H140 | K120-F131 CarbonylContact C-O 3.59Å; K120-F131 WeakPolarHBondContact CA-O 3.48Å; F122-F131 HydrophobicContact CB-CB 4.24Å; F122-F131 WeakPolarHBondContact CB-O 3.49Å; F122-F131 WeakPolarHBondContact CD2-O 3.43Å; F122-F131 PolarHBondContact N-O 3.37Å; F122-F131 VanDerWaalsContact N-O 3.13Å; F122-F131 WeakPolarHBondContact O-CD2 3.48Å; F122-F131 PolarHBondContact O-N 3.15Å; K129-F131 HydrophobicContact CB-CE2 3.94Å; K129-F131 HydrophobicContact CB-CZ 4.1Å; K129-F131 WeakPolarHBondContact O-CE2 3.48Å; F131-H136 HydrophobicContact CB-CB 4.28Å; F131-H136 HydrophobicContact CD1-CB 3.94Å; F131-H136 HydrophobicContact CG-CB 4.33Å; F131-L137 HydrophobicContact CB-CB 4.46Å; F131-L137 HydrophobicContact CD2-CB 4.02Å; F131-L137 HydrophobicContact CD2-CD1 3.81Å; F131-L137 HydrophobicContact CE2-CD1 4Å; F131-L137 HydrophobicContact CG-CB 4.42Å; F131-H140 HydrophobicContact CE1-CB 4.13Å; F131-H140 HydrophobicContact CE2-CB 3.87Å; F131-H140 AromaticContact CE2-CD2 3.39Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.35Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.49Å; F131-H140 VanDerWaalsContact CZ-CB 3.49Å; F131-H140 AromaticContact CZ-CD2 3.56Å; F131-H140 AromaticContact CZ-CG 3.28Å; F131-H140 AromaticContact CZ-ND1 3.79Å |
| 132 | K | 63.6 | Low | 71.2 | Confident | 73 Ų | 73 | 72.3 Ų | 72.3 | 32% | 0.317 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -81.3 | -14.2 | 175.4 | -64 | -172.3 | 171.9 | -172.9 | 0 | 113.5 | S115 K120 | S115-K132 PolarHBondContact O-NZ 3.22Å; K120-K132 HydrophobicContact CG-CG 4.07Å |
| 133 | R | 70.5 | Confident | 71.3 | Confident | 123 Ų | 123 | 71.9 Ų | 71.9 | 46% | 0.464 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -135 | 140.1 | -177.3 | -69.4 | -173.4 | -81.1 | 153.9 | -13.3 | 112 | S135 H136 L137 | R133-S135 PolarHBondContact O-N 2.89Å; R133-H136 HydrophobicContact CB-CB 4.42Å; R133-H136 PolarHBondContact NH1-NE2 3.3Å; R133-H136 PolarHBondContact NH2-CE1 3.32Å; R133-H136 PolarHBondContact NH2-NE2 3.05Å; R133-H136 WeakPolarHBondContact O-CB 2.84Å; R133-H136 PolarHBondContact O-N 3.05Å; R133-L137 PolarHBondContact O-N 3.43Å |
| 134 | S | 69.2 | Low | 71.6 | Confident | 70 Ų | 70 | 71.4 Ų | 71.4 | 49% | 0.49 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -61.6 | -40 | 177.1 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | H136 L137 S138 | S134-H136 VanDerWaalsContact C-N 3.25Å; S134-H136 PolarHBondContact O-N 3.12Å; S134-L137 PolarHBondContact O-N 3.23Å; S134-L137 VanDerWaalsContact O-N 3.15Å; S134-S138 PolarHBondContact O-N 3.45Å |
| 135 | S | 74.6 | Confident | 71.2 | Confident | 69 Ų | 69 | 82.6 Ų | 82.6 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -61 | -34 | 177.5 | 57.4 | 0 | 0 | 0 | 0 | 112.9 | R133 R139 | R133-S135 PolarHBondContact O-N 2.89Å; S135-R139 PolarHBondContact O-N 3.24Å; S135-R139 VanDerWaalsContact O-N 3.11Å |
| 136 | H | 75.3 | Confident | 71 | Confident | 54 Ų | 54 | 81.9 Ų | 81.9 | 25% | 0.25 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -71.8 | -40.9 | 175.2 | -74.4 | -164.2 | 0 | 0 | 0 | 112 | F131 R133 S134 R139 H140 | F131-H136 HydrophobicContact CB-CB 4.28Å; F131-H136 HydrophobicContact CD1-CB 3.94Å; F131-H136 HydrophobicContact CG-CB 4.33Å; R133-H136 HydrophobicContact CB-CB 4.42Å; R133-H136 PolarHBondContact NH1-NE2 3.3Å; R133-H136 PolarHBondContact NH2-CE1 3.32Å; R133-H136 PolarHBondContact NH2-NE2 3.05Å; R133-H136 WeakPolarHBondContact O-CB 2.84Å; R133-H136 PolarHBondContact O-N 3.05Å; S134-H136 VanDerWaalsContact C-N 3.25Å; S134-H136 PolarHBondContact O-N 3.12Å; H136-R139 PolarHBondContact O-N 3.46Å; H136-H140 VanDerWaalsContact O-CB 3.29Å; H136-H140 WeakPolarHBondContact O-CB 3.4Å; H136-H140 PolarHBondContact O-N 2.92Å |
| 137 | L | 78.8 | Confident | 71.1 | Confident | 14 Ų | 14 | 78.8 Ų | 78.8 | 7% | 0.073 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -62.3 | -43.3 | 173.5 | 175.2 | 64.6 | 0 | 0 | 0 | 111.3 | F122 C124 F131 R133 S134 H140 R141 | F122-L137 HydrophobicContact CB-CB 3.96Å; F122-L137 HydrophobicContact CB-CD2 3.8Å; F122-L137 HydrophobicContact CB-CG 4.45Å; C124-L137 HydrophobicContact CB-CD1 3.8Å; F131-L137 HydrophobicContact CB-CB 4.46Å; F131-L137 HydrophobicContact CD2-CB 4.02Å; F131-L137 HydrophobicContact CD2-CD1 3.81Å; F131-L137 HydrophobicContact CE2-CD1 4Å; F131-L137 HydrophobicContact CG-CB 4.42Å; R133-L137 PolarHBondContact O-N 3.43Å; S134-L137 PolarHBondContact O-N 3.23Å; S134-L137 VanDerWaalsContact O-N 3.15Å; L137-H140 CarbonylContact O-C 3.57Å; L137-H140 WeakPolarHBondContact O-CB 3.41Å; L137-H140 PolarHBondContact O-N 2.76Å; L137-R141 HydrophobicContact CD1-CG 4.32Å; L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 3.24Å |
| 138 | S | 75.2 | Confident | 71.3 | Confident | 80 Ų | 80 | 77.6 Ų | 77.6 | 56% | 0.559 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -60.7 | -46.5 | 177.1 | -99.1 | 0 | 0 | 0 | 0 | 112.3 | S134 H140 R141 A142 | S134-S138 PolarHBondContact O-N 3.45Å; S138-H140 VanDerWaalsContact C-N 3.31Å; S138-H140 PolarHBondContact O-N 3.05Å; S138-R141 PolarHBondContact O-N 3.36Å; S138-A142 PolarHBondContact O-N 3.22Å |
| 139 | R | 76.6 | Confident | 71.9 | Confident | 167 Ų | 167 | 79.2 Ų | 79.2 | 63% | 0.63 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -62 | -40.8 | 174.7 | -177.8 | 172.4 | 61.8 | -167.9 | -1.4 | 111.8 | S135 H136 A142 | S135-R139 PolarHBondContact O-N 3.24Å; S135-R139 VanDerWaalsContact O-N 3.11Å; H136-R139 PolarHBondContact O-N 3.46Å; R139-A142 WeakPolarHBondContact O-CB 3.28Å; R139-A142 PolarHBondContact O-N 2.81Å |
| 140 | H | 81.5 | Confident | 72.6 | Confident | 25 Ų | 25 | 76.1 Ų | 76.1 | 12% | 0.116 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 175.7 | 171.5 | 65.6 | 0 | 0 | 0 | 112.4 | C124 C127 F131 H136 L137 S138 A142 T143 H144 | C124-H140 PolarHBondContact SG-NE2 3.22Å; C127-H140 PolarHBondContact SG-NE2 3.09Å; F131-H140 HydrophobicContact CE1-CB 4.13Å; F131-H140 HydrophobicContact CE2-CB 3.87Å; F131-H140 AromaticContact CE2-CD2 3.39Å; F131-H140 WeakPolarHBondContact CE2-CD2 3.35Å; F131-H140 AromaticContact CE2-CG 3.6Å; F131-H140 HydrophobicContact CZ-CB 3.49Å; F131-H140 VanDerWaalsContact CZ-CB 3.49Å; F131-H140 AromaticContact CZ-CD2 3.56Å; F131-H140 AromaticContact CZ-CG 3.28Å; F131-H140 AromaticContact CZ-ND1 3.79Å; H136-H140 VanDerWaalsContact O-CB 3.29Å; H136-H140 WeakPolarHBondContact O-CB 3.4Å; H136-H140 PolarHBondContact O-N 2.92Å; L137-H140 CarbonylContact O-C 3.57Å; L137-H140 WeakPolarHBondContact O-CB 3.41Å; L137-H140 PolarHBondContact O-N 2.76Å; S138-H140 VanDerWaalsContact C-N 3.31Å; S138-H140 PolarHBondContact O-N 3.05Å; H140-A142 PolarHBondContact O-N 3.27Å; H140-T143 PolarHBondContact O-N 3.44Å; H140-T143 PolarHBondContact O-OG1 3.24Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-CE1 3.98Å; H140-H144 AromaticContact CE1-NE2 3.43Å; H140-H144 PolarHBondContact CE1-NE2 3.26Å; H140-H144 AromaticContact NE2-CD2 3.88Å; H140-H144 AromaticContact NE2-CE1 3.92Å; H140-H144 AromaticContact NE2-NE2 3.03Å; H140-H144 PolarHBondContact NE2-NE2 2.88Å |
| 141 | R | 75.4 | Confident | 73.4 | Confident | 122 Ų | 122 | 77.4 Ų | 77.4 | 46% | 0.46 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -60.6 | -32.7 | 174.5 | -75.7 | 175.9 | 173.4 | -176.3 | -1.7 | 112.3 | L137 S138 T143 H144 R145 | L137-R141 HydrophobicContact CD1-CG 4.32Å; L137-R141 WeakPolarHBondContact O-CG 3.39Å; L137-R141 PolarHBondContact O-N 3.24Å; S138-R141 PolarHBondContact O-N 3.36Å; R141-T143 VanDerWaalsContact C-N 3.26Å; R141-T143 PolarHBondContact O-N 2.77Å; R141-H144 WeakPolarHBondContact O-CB 3.28Å; R141-H144 PolarHBondContact O-N 2.83Å; R141-R145 PolarHBondContact O-N 3.37Å |
| 142 | A | 74.3 | Confident | 74.2 | Confident | 59 Ų | 59 | 75.7 Ų | 75.7 | 49% | 0.488 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -64.2 | -29.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | S138 R139 H140 H144 R145 A146 | S138-A142 PolarHBondContact O-N 3.22Å; R139-A142 WeakPolarHBondContact O-CB 3.28Å; R139-A142 PolarHBondContact O-N 2.81Å; H140-A142 PolarHBondContact O-N 3.27Å; A142-H144 VanDerWaalsContact C-N 3.26Å; A142-H144 PolarHBondContact O-N 2.92Å; A142-R145 PolarHBondContact O-N 3.12Å; A142-A146 PolarHBondContact O-N 3.07Å |
| 143 | T | 71.3 | Confident | 75.3 | Confident | 64 Ų | 64 | 77.3 Ų | 77.3 | 39% | 0.393 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -69.7 | -25.5 | 176.7 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | H140 R141 | H140-T143 PolarHBondContact O-N 3.44Å; H140-T143 PolarHBondContact O-OG1 3.24Å; R141-T143 VanDerWaalsContact C-N 3.26Å; R141-T143 PolarHBondContact O-N 2.77Å |
| 144 | H | 71.7 | Confident | 76.2 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 34% | 0.343 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -72 | -37.4 | 172.6 | -66.4 | -58 | 0 | 0 | 0 | 111.8 | C124 C127 H140 R141 A142 G147 | C124-H144 PolarHBondContact SG-NE2 2.96Å; C127-H144 PolarHBondContact SG-NE2 3.25Å; C127-H144 VanDerWaalsContact SG-NE2 3.43Å; H140-H144 AromaticContact CD2-NE2 3.85Å; H140-H144 AromaticContact CE1-CE1 3.98Å; H140-H144 AromaticContact CE1-NE2 3.43Å; H140-H144 PolarHBondContact CE1-NE2 3.26Å; H140-H144 AromaticContact NE2-CD2 3.88Å; H140-H144 AromaticContact NE2-CE1 3.92Å; H140-H144 AromaticContact NE2-NE2 3.03Å; H140-H144 PolarHBondContact NE2-NE2 2.88Å; R141-H144 WeakPolarHBondContact O-CB 3.28Å; R141-H144 PolarHBondContact O-N 2.83Å; A142-H144 VanDerWaalsContact C-N 3.26Å; A142-H144 PolarHBondContact O-N 2.92Å; H144-G147 PolarHBondContact O-N 2.95Å |
| 145 | R | 66.5 | Low | 77.2 | Confident | 238 Ų | 238 | 74.9 Ų | 74.9 | 90% | 0.898 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -72.7 | -34.2 | 179.1 | -171.6 | 176.3 | -178.9 | 179 | 1 | 112.9 | R141 A142 G147 | R141-R145 PolarHBondContact O-N 3.37Å; A142-R145 PolarHBondContact O-N 3.12Å; R145-G147 PolarHBondContact O-N 3.11Å |
| 146 | A | 64.2 | Low | 77.5 | Confident | 84 Ų | 84 | 77.8 Ų | 77.8 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.3 | -21.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A142 | A142-A146 PolarHBondContact O-N 3.07Å |
| 147 | G | 64.9 | Low | 77.7 | Confident | 14 Ų | 14 | 83.2 Ų | 83.2 | 14% | 0.144 | 44% | 0.443 | C | S | . | . | trans | 62.8 | 168.6 | -170.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | H144 R145 | H144-G147 PolarHBondContact O-N 2.95Å; R145-G147 PolarHBondContact O-N 3.11Å | ||
| 148 | P | 73.5 | Confident | 77.9 | Confident | 33 Ų | 33 | 89.9 Ų | 89.9 | 21% | 0.214 | 47% | 0.467 | C | S | . | . | trans | -67.6 | 128.4 | 172 | -8.9 | 23.8 | 0 | 0 | 0 | 109.1 | H150 R158 F159 Q160 | P148-H150 PolarHBondContact O-N 3.35Å; P148-R158 HydrophobicContact CB-CB 3.87Å; P148-R158 HydrophobicContact CG-CB 3.62Å; P148-F159 WeakPolarHBondContact CB-O 3.49Å; P148-Q160 HydrophobicContact CB-CG 4.4Å | ||
| 149 | P | 76.2 | Confident | 78.3 | Confident | 90 Ų | 90 | 87.7 Ų | 87.7 | 58% | 0.584 | 45% | 0.448 | S | S | * | . | S | Bend | trans | -68.6 | -20.4 | -174.8 | 25.5 | -32.4 | 0 | 0 | 0 | 112.8 | ||
| 150 | H | 81.3 | Confident | 78.4 | Confident | 65 Ų | 65 | 84.1 Ų | 84.1 | 30% | 0.301 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 118 | -174.1 | -59.4 | -62.5 | 0 | 0 | 0 | 110.8 | P148 R158 F159 D161 A162 L165 | P148-H150 PolarHBondContact O-N 3.35Å; H150-R158 CarbonylContact O-C 3.54Å; H150-R158 VanDerWaalsContact O-CA 3.32Å; H150-R158 WeakPolarHBondContact O-CA 3.33Å; H150-F159 HydrophobicContact CB-CB 4.38Å; H150-F159 WeakPolarHBondContact CB-O 3.23Å; H150-F159 PolarHBondContact N-O 3.07Å; H150-F159 PolarHBondContact O-N 2.59Å; H150-D161 VanDerWaalsContact CD2-C 3.49Å; H150-A162 PolarHBondContact CD2-N 3.37Å; H150-A162 VanDerWaalsContact CD2-N 3.34Å; H150-L165 HydrophobicContact CB-CB 4.19Å; H150-L165 HydrophobicContact CB-CD2 3.81Å |
| 151 | T | 85.1 | Confident | 78.3 | Confident | 64 Ų | 64 | 87.3 Ų | 87.3 | 39% | 0.393 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 139.1 | 177.6 | -56.1 | 0 | 0 | 0 | 0 | 109.9 | R158 | T151-R158 HydrophobicContact CG2-CG 4.14Å; T151-R158 PolarHBondContact OG1-NE 3.43Å |
| 152 | C | 87.8 | Confident | 78.8 | Confident | 7 Ų | 7 | 84.2 Ų | 84.2 | 5% | 0.047 | 46% | 0.457 | C | S | . | . | trans | -69.5 | 134.9 | 174.7 | 179.8 | 0 | 0 | 0 | 0 | 110.9 | L154 C155 R157 F159 L165 H168 H172 | C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact SG-N 3.33Å; C152-L154 VanDerWaalsContact SG-N 3.39Å; C152-C155 WeakPolarHBondContact CB-O 3.17Å; C152-C155 VanDerWaalsContact SG-SG 3.66Å; C152-R157 PolarHBondContact N-O 3.15Å; C152-F159 HydrophobicContact CB-CE2 4.25Å; C152-L165 HydrophobicContact CB-CD1 3.94Å; C152-H168 PolarHBondContact SG-NE2 3.35Å; C152-H168 VanDerWaalsContact SG-NE2 3.39Å; C152-H172 PolarHBondContact SG-NE2 3.11Å | ||
| 153 | P | 87.4 | Confident | 79.4 | Confident | 108 Ų | 108 | 85 Ų | 85 | 70% | 0.701 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -75.4 | -19.8 | 177 | 28.7 | -33.6 | 0 | 0 | 0 | 113.5 | ||
| 154 | L | 90.2 | Very high | 80.2 | Confident | 112 Ų | 112 | 86.5 Ų | 86.5 | 59% | 0.586 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -98.5 | -17.9 | -174.8 | -59.7 | 174.7 | 0 | 0 | 0 | 113.3 | C152 H172 | C152-L154 VanDerWaalsContact C-N 3.32Å; C152-L154 PolarHBondContact SG-N 3.33Å; C152-L154 VanDerWaalsContact SG-N 3.39Å; L154-H172 HydrophobicContact CD1-CB 3.54Å |
| 155 | C | 90.2 | Very high | 81.1 | Confident | 30 Ų | 30 | 84.4 Ų | 84.4 | 20% | 0.203 | 46% | 0.457 | C | S | . | . | S | Bend | trans | -154.3 | 165.2 | -177.5 | 79.9 | 0 | 0 | 0 | 0 | 111.3 | C152 R157 H168 | C152-C155 WeakPolarHBondContact CB-O 3.17Å; C152-C155 VanDerWaalsContact SG-SG 3.66Å; C155-R157 PolarHBondContact O-N 3.2Å; C155-H168 PolarHBondContact SG-NE2 3.26Å; C155-H168 VanDerWaalsContact SG-NE2 3.36Å |
| 156 | P | 79.9 | Confident | 82.3 | Confident | 130 Ų | 130 | 75.2 Ų | 75.2 | 84% | 0.844 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -75.4 | 11.1 | -175.8 | 30.2 | -35.1 | 0 | 0 | 0 | 115 | ||
| 157 | R | 79.8 | Confident | 83.6 | Confident | 167 Ų | 167 | 77.4 Ų | 77.4 | 63% | 0.63 | 43% | 0.428 | S | S | * | . | trans | -73.2 | 148.3 | 178.5 | -71.1 | -168.2 | -167.1 | -138.3 | 4.7 | 112 | C152 C155 F159 | C152-R157 PolarHBondContact N-O 3.15Å; C155-R157 PolarHBondContact O-N 3.2Å; R157-F159 HydrophobicContact CB-CE2 3.76Å; R157-F159 HydrophobicContact CB-CZ 3.91Å | ||
| 158 | R | 83.8 | Confident | 85 | Confident | 154 Ų | 154 | 78 Ų | 78 | 58% | 0.581 | 43% | 0.427 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 144.5 | -178.7 | -65.2 | -175.7 | 148.9 | -168 | -5.2 | 111 | P148 H150 T151 | P148-R158 HydrophobicContact CB-CB 3.87Å; P148-R158 HydrophobicContact CG-CB 3.62Å; H150-R158 CarbonylContact O-C 3.54Å; H150-R158 VanDerWaalsContact O-CA 3.32Å; H150-R158 WeakPolarHBondContact O-CA 3.33Å; T151-R158 HydrophobicContact CG2-CG 4.14Å; T151-R158 PolarHBondContact OG1-NE 3.43Å |
| 159 | F | 81.7 | Confident | 85.9 | Confident | 34 Ų | 34 | 78.8 Ų | 78.8 | 15% | 0.149 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 145.3 | -170.8 | -59.7 | -88.3 | 0 | 0 | 0 | 111.3 | P148 H150 C152 R157 E164 L165 H168 | P148-F159 WeakPolarHBondContact CB-O 3.49Å; H150-F159 HydrophobicContact CB-CB 4.38Å; H150-F159 WeakPolarHBondContact CB-O 3.23Å; H150-F159 PolarHBondContact N-O 3.07Å; H150-F159 PolarHBondContact O-N 2.59Å; C152-F159 HydrophobicContact CB-CE2 4.25Å; R157-F159 HydrophobicContact CB-CE2 3.76Å; R157-F159 HydrophobicContact CB-CZ 3.91Å; F159-E164 HydrophobicContact CB-CB 4.28Å; F159-E164 HydrophobicContact CD1-CB 3.92Å; F159-E164 HydrophobicContact CG-CB 4.43Å; F159-L165 HydrophobicContact CB-CB 4.08Å; F159-L165 HydrophobicContact CD2-CB 4.01Å; F159-L165 HydrophobicContact CD2-CD1 3.71Å; F159-L165 HydrophobicContact CD2-CG 4.46Å; F159-L165 HydrophobicContact CE2-CD1 4.02Å; F159-L165 HydrophobicContact CG-CB 4.14Å; F159-H168 HydrophobicContact CE1-CB 3.83Å; F159-H168 AromaticContact CE1-CG 3.97Å; F159-H168 HydrophobicContact CE2-CB 4.07Å; F159-H168 AromaticContact CE2-CD2 3.25Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.36Å; F159-H168 AromaticContact CE2-CG 3.67Å; F159-H168 AromaticContact CE2-NE2 3.83Å; F159-H168 HydrophobicContact CZ-CB 3.51Å; F159-H168 AromaticContact CZ-CD2 3.25Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.41Å; F159-H168 AromaticContact CZ-CG 3.17Å; F159-H168 AromaticContact CZ-ND1 3.68Å; F159-H168 AromaticContact CZ-NE2 3.76Å |
| 160 | Q | 79.1 | Confident | 86.7 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 44% | 0.435 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -78.4 | -34.2 | -179.3 | -69.3 | -67.2 | -10.9 | 0 | 0 | 111 | P148 | P148-Q160 HydrophobicContact CB-CG 4.4Š|
| 161 | D | 80.4 | Confident | 87.2 | Confident | 92 Ų | 92 | 87.8 Ų | 87.8 | 49% | 0.492 | 46% | 0.46 | S | S | . | . | S | Bend | trans | -115.8 | 143.5 | -176.7 | -60.1 | -62.8 | 0 | 0 | 0 | 111.9 | H150 A163 E164 L165 | H150-D161 VanDerWaalsContact CD2-C 3.49Å; D161-A163 PolarHBondContact O-N 2.94Å; D161-E164 HydrophobicContact CB-CB 4.48Å; D161-E164 HydrophobicContact CB-CG 4.1Å; D161-E164 PolarHBondContact O-N 2.8Å; D161-L165 PolarHBondContact O-N 3.41Å |
| 162 | A | 84.3 | Confident | 87.2 | Confident | 57 Ų | 57 | 91 Ų | 91 | 47% | 0.471 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -63.1 | -31.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | H150 L165 A166 | H150-A162 PolarHBondContact CD2-N 3.37Å; H150-A162 VanDerWaalsContact CD2-N 3.34Å; A162-L165 PolarHBondContact O-N 3.21Å; A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.88Å |
| 163 | A | 88.9 | Confident | 87.2 | Confident | 76 Ų | 76 | 95.2 Ų | 95.2 | 63% | 0.628 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.5 | -41.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D161 A166 Q167 | D161-A163 PolarHBondContact O-N 2.94Å; A163-A166 PolarHBondContact O-N 3.48Å; A163-Q167 PolarHBondContact O-N 2.82Å |
| 164 | E | 86.2 | Confident | 87.2 | Confident | 95 Ų | 95 | 94.5 Ų | 94.5 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 175.5 | -67.3 | -175.4 | 132.5 | 0 | 0 | 111.2 | F159 D161 Q167 H168 | F159-E164 HydrophobicContact CB-CB 4.28Å; F159-E164 HydrophobicContact CD1-CB 3.92Å; F159-E164 HydrophobicContact CG-CB 4.43Å; D161-E164 HydrophobicContact CB-CB 4.48Å; D161-E164 HydrophobicContact CB-CG 4.1Å; D161-E164 PolarHBondContact O-N 2.8Å; E164-Q167 PolarHBondContact O-N 3.48Å; E164-H168 VanDerWaalsContact O-CB 3.29Å; E164-H168 WeakPolarHBondContact O-CB 3.46Å; E164-H168 PolarHBondContact O-N 3.39Å |
| 165 | L | 91.1 | Very high | 87 | Confident | 29 Ų | 29 | 93.6 Ų | 93.6 | 15% | 0.152 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.9 | -46.3 | 173.7 | 172 | 62.4 | 0 | 0 | 0 | 111.1 | H150 C152 F159 D161 A162 Q167 H168 V169 | H150-L165 HydrophobicContact CB-CB 4.19Å; H150-L165 HydrophobicContact CB-CD2 3.81Å; C152-L165 HydrophobicContact CB-CD1 3.94Å; F159-L165 HydrophobicContact CB-CB 4.08Å; F159-L165 HydrophobicContact CD2-CB 4.01Å; F159-L165 HydrophobicContact CD2-CD1 3.71Å; F159-L165 HydrophobicContact CD2-CG 4.46Å; F159-L165 HydrophobicContact CE2-CD1 4.02Å; F159-L165 HydrophobicContact CG-CB 4.14Å; D161-L165 PolarHBondContact O-N 3.41Å; A162-L165 PolarHBondContact O-N 3.21Å; L165-Q167 PolarHBondContact O-N 3.44Å; L165-H168 WeakPolarHBondContact O-CB 3.3Å; L165-H168 PolarHBondContact O-N 3.28Å; L165-V169 HydrophobicContact CD1-CG2 3.76Å; L165-V169 HydrophobicContact CG-CG2 4.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 2.84Å |
| 166 | A | 91.2 | Very high | 86.9 | Confident | 46 Ų | 46 | 97.3 Ų | 97.3 | 38% | 0.38 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -62.9 | -42 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A162 A163 V169 R170 | A162-A166 WeakPolarHBondContact O-CB 3.45Å; A162-A166 PolarHBondContact O-N 2.88Å; A163-A166 PolarHBondContact O-N 3.48Å; A166-V169 PolarHBondContact O-N 2.8Å; A166-R170 WeakPolarHBondContact O-CG 3.09Å; A166-R170 PolarHBondContact O-N 3.32Å |
| 167 | Q | 93.3 | Very high | 87.3 | Confident | 129 Ų | 129 | 95.3 Ų | 95.3 | 60% | 0.603 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -63.9 | -44.3 | 173.6 | -178 | 178.7 | -1.4 | 0 | 0 | 111.2 | A163 E164 L165 V169 R170 | A163-Q167 PolarHBondContact O-N 2.82Å; E164-Q167 PolarHBondContact O-N 3.48Å; L165-Q167 PolarHBondContact O-N 3.44Å; Q167-V169 VanDerWaalsContact C-N 3.34Å; Q167-V169 PolarHBondContact O-N 2.8Å; Q167-R170 WeakPolarHBondContact O-CB 3.4Å; Q167-R170 PolarHBondContact O-N 2.94Å |
| 168 | H | 93.8 | Very high | 87.8 | Confident | 28 Ų | 28 | 90.5 Ų | 90.5 | 13% | 0.13 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -60.2 | -42.5 | 177.9 | 167.9 | 66.6 | 0 | 0 | 0 | 112.7 | C152 C155 F159 E164 L165 R170 L171 H172 | C152-H168 PolarHBondContact SG-NE2 3.35Å; C152-H168 VanDerWaalsContact SG-NE2 3.39Å; C155-H168 PolarHBondContact SG-NE2 3.26Å; C155-H168 VanDerWaalsContact SG-NE2 3.36Å; F159-H168 HydrophobicContact CE1-CB 3.83Å; F159-H168 AromaticContact CE1-CG 3.97Å; F159-H168 HydrophobicContact CE2-CB 4.07Å; F159-H168 AromaticContact CE2-CD2 3.25Å; F159-H168 WeakPolarHBondContact CE2-CD2 3.36Å; F159-H168 AromaticContact CE2-CG 3.67Å; F159-H168 AromaticContact CE2-NE2 3.83Å; F159-H168 HydrophobicContact CZ-CB 3.51Å; F159-H168 AromaticContact CZ-CD2 3.25Å; F159-H168 WeakPolarHBondContact CZ-CD2 3.41Å; F159-H168 AromaticContact CZ-CG 3.17Å; F159-H168 AromaticContact CZ-ND1 3.68Å; F159-H168 AromaticContact CZ-NE2 3.76Å; E164-H168 VanDerWaalsContact O-CB 3.29Å; E164-H168 WeakPolarHBondContact O-CB 3.46Å; E164-H168 PolarHBondContact O-N 3.39Å; L165-H168 WeakPolarHBondContact O-CB 3.3Å; L165-H168 PolarHBondContact O-N 3.28Å; H168-R170 VanDerWaalsContact C-N 3.26Å; H168-R170 PolarHBondContact O-N 2.98Å; H168-L171 PolarHBondContact O-N 3.11Å; H168-L171 VanDerWaalsContact O-N 3.08Å; H168-H172 AromaticContact CD2-NE2 3.8Å; H168-H172 AromaticContact CE1-CD2 3.97Å; H168-H172 AromaticContact CE1-CE1 3.92Å; H168-H172 AromaticContact CE1-NE2 3.19Å; H168-H172 PolarHBondContact CE1-NE2 3.36Å; H168-H172 AromaticContact NE2-CD2 3.78Å; H168-H172 AromaticContact NE2-CE1 3.93Å; H168-H172 AromaticContact NE2-NE2 2.95Å; H168-H172 PolarHBondContact NE2-NE2 2.84Å |
| 169 | V | 92.1 | Very high | 88.1 | Confident | 49 Ų | 49 | 85.9 Ų | 85.9 | 30% | 0.297 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.1 | -31.5 | 179.2 | 172.7 | 0 | 0 | 0 | 0 | 112.2 | L165 A166 Q167 L171 H172 | L165-V169 HydrophobicContact CD1-CG2 3.76Å; L165-V169 HydrophobicContact CG-CG2 4.3Å; L165-V169 WeakPolarHBondContact O-CG2 3.37Å; L165-V169 PolarHBondContact O-N 2.84Å; A166-V169 PolarHBondContact O-N 2.8Å; Q167-V169 VanDerWaalsContact C-N 3.34Å; Q167-V169 PolarHBondContact O-N 2.8Å; V169-L171 PolarHBondContact O-N 2.76Å; V169-H172 PolarHBondContact O-N 2.77Å |
| 170 | R | 93.2 | Very high | 88.6 | Confident | 207 Ų | 207 | 89.9 Ų | 89.9 | 78% | 0.781 | 47% | 0.472 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16 | 174.8 | -68 | 173.3 | -174.3 | 176.4 | 1.5 | 114.1 | A166 Q167 H168 | A166-R170 WeakPolarHBondContact O-CG 3.09Å; A166-R170 PolarHBondContact O-N 3.32Å; Q167-R170 WeakPolarHBondContact O-CB 3.4Å; Q167-R170 PolarHBondContact O-N 2.94Å; H168-R170 VanDerWaalsContact C-N 3.26Å; H168-R170 PolarHBondContact O-N 2.98Å |
| 171 | L | 90.8 | Very high | 89.3 | Confident | 137 Ų | 137 | 89.7 Ų | 89.7 | 72% | 0.717 | 48% | 0.475 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.9 | -1 | -178.8 | -62.7 | 175.6 | 0 | 0 | 0 | 113.1 | H168 V169 | H168-L171 PolarHBondContact O-N 3.11Å; H168-L171 VanDerWaalsContact O-N 3.08Å; V169-L171 PolarHBondContact O-N 2.76Å |
| 172 | H | 86.8 | Confident | 90.2 | Very high | 131 Ų | 131 | 89.5 Ų | 89.5 | 61% | 0.606 | 47% | 0.474 | S | S | * | . | trans | -80 | 0 | 162.5 | -74.2 | -77.6 | 0 | 0 | 0 | 109.3 | C152 L154 H168 V169 | C152-H172 PolarHBondContact SG-NE2 3.11Å; L154-H172 HydrophobicContact CD1-CB 3.54Å; H168-H172 AromaticContact CD2-NE2 3.8Å; H168-H172 AromaticContact CE1-CD2 3.97Å; H168-H172 AromaticContact CE1-CE1 3.92Å; H168-H172 AromaticContact CE1-NE2 3.19Å; H168-H172 PolarHBondContact CE1-NE2 3.36Å; H168-H172 AromaticContact NE2-CD2 3.78Å; H168-H172 AromaticContact NE2-CE1 3.93Å; H168-H172 AromaticContact NE2-NE2 2.95Å; H168-H172 PolarHBondContact NE2-NE2 2.84Å; V169-H172 PolarHBondContact O-N 2.77Å |
Retrieved 172 of 172 residues in 34.6 ms
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