| 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 | 26.5 | Very low | 25 | Very low | 245 Ų | 245 | 115.8 Ų | 115.8 | 100% | 1.207 | 79% | 0.789 | S | S | * | * | 0 | 98.8 | 0 | -73.6 | -172 | -179.9 | 0 | 0 | 107 | |||||
| 2 | G | 20.8 | Very low | 25.3 | Very low | 76 Ų | 76 | 116.8 Ų | 116.8 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | -87.5 | 113.9 | -172 | 0 | 0 | 0 | 0 | 0 | 111 | V4 | G2-V4 PolarHBondContact O-N 3.49Š| ||
| 3 | S | 24.4 | Very low | 25.5 | Very low | 93 Ų | 93 | 118.5 Ų | 118.5 | 65% | 0.65 | 80% | 0.797 | S | S | * | * | trans | -71.9 | 117 | 168.7 | 48.4 | 0 | 0 | 0 | 0 | 109.5 | L5 | S3-L5 PolarHBondContact O-N 3.48Š| ||
| 4 | V | 24.1 | Very low | 26 | Very low | 129 Ų | 129 | 118.9 Ų | 118.9 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | -81.1 | 105.5 | 176.8 | -168.8 | 0 | 0 | 0 | 0 | 107.8 | G2 | G2-V4 PolarHBondContact O-N 3.49Š| ||
| 5 | L | 26.3 | Very low | 26.1 | Very low | 98 Ų | 98 | 117.1 Ų | 117.1 | 51% | 0.513 | 80% | 0.795 | S | S | . | * | P | Polyproline II helix | trans | -71.8 | 120.3 | 172.6 | -87.6 | 151 | 0 | 0 | 0 | 109.4 | S3 E72 M76 | S3-L5 PolarHBondContact O-N 3.48Å; L5-E72 HydrophobicContact CD2-CG 4.21Å; L5-M76 HydrophobicContact CD1-CE 4.29Å; L5-M76 HydrophobicContact CD1-CG 4.49Å; L5-M76 HydrophobicContact CD1-SD 3.61Å |
| 6 | A | 26.3 | Very low | 26.1 | Very low | 98 Ų | 98 | 118.9 Ų | 118.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76 | 139.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 7 | A | 23.9 | Very low | 26.1 | Very low | 101 Ų | 101 | 117.7 Ų | 117.7 | 84% | 0.835 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -67.5 | 141.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||
| 8 | A | 26.1 | Very low | 26 | Very low | 102 Ų | 102 | 115.9 Ų | 115.9 | 84% | 0.843 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -80.4 | 143.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 9 | S | 24.4 | Very low | 25.9 | Very low | 88 Ų | 88 | 114.3 Ų | 114.3 | 62% | 0.615 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 150.4 | 171.1 | -33.2 | 0 | 0 | 0 | 0 | 111.3 | ||
| 10 | P | 26.2 | Very low | 25.9 | Very low | 131 Ų | 131 | 119.1 Ų | 119.1 | 85% | 0.851 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 139.9 | -174.8 | 31.6 | -32.5 | 0 | 0 | 0 | 113.1 | ||
| 11 | S | 25.7 | Very low | 25.8 | Very low | 113 Ų | 113 | 116.7 Ų | 116.7 | 79% | 0.79 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 143.8 | 172.3 | 51.2 | 0 | 0 | 0 | 0 | 112.6 | ||
| 12 | P | 28.5 | Very low | 25.9 | Very low | 128 Ų | 128 | 111.9 Ų | 111.9 | 83% | 0.831 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 149.7 | 172.3 | 33.9 | -30 | 0 | 0 | 0 | 112.9 | ||
| 13 | T | 27.6 | Very low | 26.5 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -84.5 | 164.7 | 176.3 | 35.4 | 0 | 0 | 0 | 0 | 113.6 | ||
| 14 | P | 33.5 | Very low | 26.6 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 80% | 0.799 | 80% | 0.804 | S | S | * | * | trans | -109.1 | 170.4 | -165.4 | 39.3 | -30.4 | 0 | 0 | 0 | 117.3 | ||||
| 15 | A | 26.8 | Very low | 26.9 | Very low | 93 Ų | 93 | 114.6 Ų | 114.6 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | trans | 84.3 | 141.6 | 165 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 16 | V | 26 | Very low | 27.1 | Very low | 145 Ų | 145 | 117 Ų | 117 | 88% | 0.879 | 83% | 0.825 | S | S | * | * | -156.8 | 151.7 | 60.2 | 174.2 | 0 | 0 | 0 | 0 | 113 | |||||
| 17 | A | 26.8 | Very low | 27.2 | Very low | 99 Ų | 99 | 117 Ų | 117 | 82% | 0.818 | 82% | 0.819 | S | S | * | * | trans | -78.8 | 161.4 | 179 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 18 | G | 23.3 | Very low | 27.8 | Very low | 86 Ų | 86 | 119.2 Ų | 119.2 | 89% | 0.887 | 82% | 0.822 | S | S | * | * | trans | 141.4 | 125.6 | 146 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 19 | G | 24.4 | Very low | 28.1 | Very low | 85 Ų | 85 | 119.9 Ų | 119.9 | 88% | 0.876 | 82% | 0.817 | S | S | * | * | trans | 142.3 | 97.8 | 154.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 20 | Q | 25.8 | Very low | 28.4 | Very low | 210 Ų | 210 | 122 Ų | 122 | 98% | 0.981 | 83% | 0.829 | S | S | * | * | trans | -63.2 | 155.2 | 169 | -67 | 167.7 | -64.6 | 0 | 0 | 113.1 | ||||
| 21 | G | 23.9 | Very low | 28.4 | Very low | 69 Ų | 69 | 119 Ų | 119 | 71% | 0.711 | 82% | 0.822 | S | S | * | * | trans | 166.5 | 81.5 | 157 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 22 | V | 28.6 | Very low | 28.7 | Very low | 144 Ų | 144 | 124.1 Ų | 124.1 | 87% | 0.873 | 83% | 0.831 | S | S | * | * | trans | 72.2 | 138.8 | 139.1 | -164.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 23 | P | 33.9 | Very low | 29 | Very low | 114 Ų | 114 | 124.4 Ų | 124.4 | 74% | 0.74 | 83% | 0.83 | S | S | * | * | trans | -104.9 | 151.3 | -164.6 | 37.5 | -24.5 | 0 | 0 | 0 | 114.9 | ||||
| 24 | G | 27.3 | Very low | 29.3 | Very low | 80 Ų | 80 | 126.6 Ų | 126.6 | 83% | 0.825 | 83% | 0.833 | S | S | * | * | trans | -104.5 | 116 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 25 | L | 28.6 | Very low | 29.2 | Very low | 161 Ų | 161 | 126.1 Ų | 126.1 | 84% | 0.843 | 83% | 0.83 | S | S | * | * | trans | -59.2 | 142.6 | 172.3 | -81.6 | 90.7 | 0 | 0 | 0 | 113.1 | ||||
| 26 | V | 31.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 90% | 0.903 | 83% | 0.831 | S | S | * | * | trans | -133.1 | 129.6 | 140.7 | -154.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 27 | S | 27.9 | Very low | 29.9 | Very low | 97 Ų | 97 | 127.3 Ų | 127.3 | 68% | 0.678 | 83% | 0.83 | S | S | * | * | trans | -95.8 | 140 | -165.9 | 50.4 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 28 | V | 36.1 | Very low | 30.1 | Very low | 147 Ų | 147 | 127.6 Ų | 127.6 | 89% | 0.891 | 83% | 0.826 | S | S | * | * | trans | -147.1 | 142 | 158.2 | -175.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 29 | P | 32.6 | Very low | 30.4 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | trans | -93.3 | 168.7 | -146.4 | 36.4 | -34.4 | 0 | 0 | 0 | 115.9 | ||||
| 30 | P | 30.6 | Very low | 30.7 | Very low | 133 Ų | 133 | 130.8 Ų | 130.8 | 86% | 0.864 | 82% | 0.816 | S | S | * | * | trans | -96.8 | 139.3 | -171.7 | 34.9 | -28.8 | 0 | 0 | 0 | 113.7 | ||||
| 31 | G | 27.7 | Very low | 31.1 | Very low | 68 Ų | 68 | 128.1 Ų | 128.1 | 70% | 0.701 | 81% | 0.808 | S | S | * | * | trans | 143.9 | 89.3 | 155.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 32 | F | 31.4 | Very low | 31.8 | Very low | 221 Ų | 221 | 130.2 Ų | 130.2 | 97% | 0.969 | 81% | 0.809 | S | S | * | * | trans | -169.6 | 122.8 | 135.1 | -104.5 | -75.5 | 0 | 0 | 0 | 107.9 | ||||
| 33 | T | 34.9 | Very low | 32 | Very low | 134 Ų | 134 | 126.9 Ų | 126.9 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | trans | -93.2 | 138.1 | -176.3 | 44.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 34 | M | 32.7 | Very low | 32.2 | Very low | 184 Ų | 184 | 126.5 Ų | 126.5 | 91% | 0.906 | 80% | 0.804 | S | S | * | * | trans | -153.8 | 147.2 | 148.5 | -80.5 | -158.8 | -88 | 0 | 0 | 111.1 | ||||
| 35 | P | 32.6 | Very low | 32.6 | Very low | 113 Ų | 113 | 128.6 Ų | 128.6 | 73% | 0.734 | 80% | 0.796 | S | S | * | * | trans | -88.9 | 175.3 | -174.2 | 36.5 | -28.2 | 0 | 0 | 0 | 112.6 | ||||
| 36 | P | 37.8 | Very low | 32.9 | Very low | 122 Ų | 122 | 125.3 Ų | 125.3 | 79% | 0.792 | 79% | 0.786 | S | S | * | * | trans | -84.7 | 150.2 | -151 | 35.3 | -33 | 0 | 0 | 0 | 112.8 | ||||
| 37 | V | 29.8 | Very low | 33 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -115.7 | 106.5 | 166.4 | -163.5 | 0 | 0 | 0 | 0 | 108.1 | S39 | V37-S39 PolarHBondContact O-N 3.16Š| ||
| 38 | S | 31.5 | Very low | 33.4 | Very low | 104 Ų | 104 | 126.8 Ų | 126.8 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 123.9 | 167.3 | -59.1 | 0 | 0 | 0 | 0 | 109.8 | ||
| 39 | S | 28.3 | Very low | 33.4 | Very low | 123 Ų | 123 | 127 Ų | 127 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -103.4 | 119.2 | 153.1 | 54.9 | 0 | 0 | 0 | 0 | 108.1 | V37 | V37-S39 PolarHBondContact O-N 3.16Š|
| 40 | V | 30.1 | Very low | 33.5 | Very low | 116 Ų | 116 | 129 Ų | 129 | 70% | 0.703 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -93.9 | 132.3 | -171.8 | 164 | 0 | 0 | 0 | 0 | 109.4 | ||
| 41 | L | 34.9 | Very low | 33.7 | Very low | 153 Ų | 153 | 125.9 Ų | 125.9 | 80% | 0.801 | 75% | 0.751 | S | S | * | * | trans | 77.6 | 156.4 | 159.6 | -68.1 | 156.7 | 0 | 0 | 0 | 120.9 | ||||
| 42 | P | 38.8 | Very low | 34.3 | Very low | 114 Ų | 114 | 128 Ų | 128 | 74% | 0.74 | 75% | 0.746 | S | S | * | * | cis | -120.2 | 153.6 | -30.1 | 32.3 | -15.1 | 0 | 0 | 0 | 110.4 | ||||
| 43 | G | 33.5 | Very low | 34.5 | Very low | 74 Ų | 74 | 120.8 Ų | 120.8 | 76% | 0.763 | 73% | 0.727 | S | S | * | * | cis | 92 | 62 | 35.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 44 | S | 37.1 | Very low | 34.8 | Very low | 106 Ų | 106 | 122.1 Ų | 122.1 | 74% | 0.741 | 73% | 0.729 | S | S | * | * | trans | 166.3 | 85.3 | 149.4 | 55.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 45 | D | 36.1 | Very low | 35.6 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 66% | 0.658 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -168.9 | -20.5 | 158.9 | -98.6 | -22 | 0 | 0 | 0 | 112.2 | D47 | D45-D47 PolarHBondContact O-N 3.34Š|
| 46 | S | 34.1 | Very low | 37 | Very low | 92 Ų | 92 | 115.3 Ų | 115.3 | 64% | 0.643 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -12.8 | -177.4 | 54.3 | 0 | 0 | 0 | 0 | 115.7 | ||
| 47 | D | 34.8 | Very low | 38.6 | Very low | 135 Ų | 135 | 112 Ų | 112 | 72% | 0.722 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.9 | -15.6 | 174.7 | -80.7 | -32.4 | 0 | 0 | 0 | 113.1 | D45 | D45-D47 PolarHBondContact O-N 3.34Š|
| 48 | Q | 36.3 | Very low | 40.8 | Very low | 142 Ų | 142 | 112.9 Ų | 112.9 | 66% | 0.664 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -81.4 | -34.8 | 174.2 | -143.5 | 128 | 23 | 0 | 0 | 110.9 | K50 A51 D52 | Q48-K50 VanDerWaalsContact C-N 3.31Å; Q48-K50 PolarHBondContact O-N 3.39Å; Q48-A51 PolarHBondContact O-N 3.48Å; Q48-D52 PolarHBondContact O-N 3.39Å; Q48-D52 VanDerWaalsContact O-N 3.16Å |
| 49 | Q | 36.1 | Very low | 43.1 | Very low | 152 Ų | 152 | 110.5 Ų | 110.5 | 71% | 0.71 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -75.3 | -11.5 | 175.7 | -103.2 | 166.2 | -18.8 | 0 | 0 | 115.3 | ||
| 50 | K | 33.6 | Very low | 45.5 | Very low | 159 Ų | 159 | 104.9 Ų | 104.9 | 69% | 0.691 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -93.1 | -24.6 | 169.4 | -92.9 | -179.8 | 176.3 | 176.6 | 0 | 113.2 | Q48 | Q48-K50 VanDerWaalsContact C-N 3.31Å; Q48-K50 PolarHBondContact O-N 3.39Å |
| 51 | A | 34.8 | Very low | 48 | Very low | 67 Ų | 67 | 100.1 Ų | 100.1 | 55% | 0.554 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -77 | -33 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q48 A53 | Q48-A51 PolarHBondContact O-N 3.48Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 3.09Å |
| 52 | D | 40.5 | Very low | 50.2 | Low | 113 Ų | 113 | 93.3 Ų | 93.3 | 60% | 0.604 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -14.1 | 175.7 | -86.4 | -35 | 0 | 0 | 0 | 114.2 | Q48 | Q48-D52 PolarHBondContact O-N 3.39Å; Q48-D52 VanDerWaalsContact O-N 3.16Å |
| 53 | A | 37 | Very low | 52.2 | Low | 69 Ų | 69 | 89.2 Ų | 89.2 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | -22.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | A51 | A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 3.09Å |
| 54 | D | 41.6 | Very low | 54.3 | Low | 161 Ų | 161 | 91.8 Ų | 91.8 | 86% | 0.861 | 51% | 0.513 | S | S | * | . | S | Bend | trans | -91.1 | -5.4 | 176.3 | -92.3 | -21.9 | 0 | 0 | 0 | 113 | ||
| 55 | S | 48.6 | Very low | 56.4 | Low | 60 Ų | 60 | 89.3 Ų | 89.3 | 42% | 0.42 | 49% | 0.49 | S | S | . | . | trans | -119.6 | 34.4 | 178.7 | 64 | 0 | 0 | 0 | 0 | 112.8 | L57 | S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.19Å | ||
| 56 | S | 60.9 | Low | 58.6 | Low | 94 Ų | 94 | 83.6 Ų | 83.6 | 66% | 0.657 | 46% | 0.46 | S | S | * | . | trans | -65.6 | 98.9 | 171.3 | 67.9 | 0 | 0 | 0 | 0 | 108.6 | Q58 | S56-Q58 PolarHBondContact O-N 2.85Š| ||
| 57 | L | 73.4 | Confident | 61 | Low | 52 Ų | 52 | 80.3 Ų | 80.3 | 27% | 0.272 | 43% | 0.434 | S | S | . | . | P | Polyproline II helix | trans | -53.3 | 123.4 | 176.1 | -69.9 | 165.5 | 0 | 0 | 0 | 108.5 | S55 D178 T206 P207 | S55-L57 VanDerWaalsContact C-N 3.35Å; S55-L57 PolarHBondContact O-N 3.19Å; L57-D178 HydrophobicContact CB-CB 4.25Å; L57-T206 VanDerWaalsContact CD2-C 3.49Å; L57-P207 HydrophobicContact CD2-CG 4.23Å |
| 58 | Q | 75.4 | Confident | 63.5 | Low | 162 Ų | 162 | 78.9 Ų | 78.9 | 76% | 0.757 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 148.3 | 179.1 | -68.8 | -176.3 | -5.5 | 0 | 0 | 110.2 | S56 | S56-Q58 PolarHBondContact O-N 2.85Š|
| 59 | N | 80 | Confident | 65.9 | Low | 53 Ų | 53 | 77.1 Ų | 77.1 | 28% | 0.283 | 41% | 0.409 | S | S | . | . | P | Polyproline II helix | trans | -57.8 | 129.8 | 176.9 | -178.7 | -47.9 | 0 | 0 | 0 | 109.8 | G61 G176 P177 T180 | N59-G61 PolarHBondContact O-N 2.73Å; N59-G61 VanDerWaalsContact O-N 3.11Å; N59-G61 PolarHBondContact OD1-N 3.15Å; N59-G176 PolarHBondContact ND2-O 3.29Å; N59-P177 WeakPolarHBondContact CA-O 3.48Å; N59-P177 PolarHBondContact N-O 2.79Å; N59-T180 PolarHBondContact ND2-OG1 2.92Å; N59-T180 PolarHBondContact OD1-OG1 3.46Å |
| 60 | P | 78.6 | Confident | 68.3 | Low | 6 Ų | 6 | 70 Ų | 70 | 4% | 0.039 | 38% | 0.376 | C | S | . | . | trans | -68.5 | -5.7 | -175.3 | 26.8 | -35.5 | 0 | 0 | 0 | 115.6 | L202 V210 R233 | P60-L202 HydrophobicContact CG-CB 4.18Å; P60-V210 HydrophobicContact CB-CB 4.17Å; P60-V210 HydrophobicContact CB-CG1 3.41Å; P60-V210 VanDerWaalsContact CB-CG1 3.41Å; P60-V210 HydrophobicContact CB-CG2 3.64Å; P60-V210 HydrophobicContact CG-CG1 4.29Å; P60-R233 PolarHBondContact O-NH2 2.76Å | ||
| 61 | G | 82.6 | Confident | 70.9 | Confident | 15 Ų | 15 | 68.1 Ų | 68.1 | 16% | 0.155 | 37% | 0.367 | C | S | . | . | trans | 79.9 | -162.8 | -170.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | N59 T180 | N59-G61 PolarHBondContact O-N 2.73Å; N59-G61 VanDerWaalsContact O-N 3.11Å; N59-G61 PolarHBondContact OD1-N 3.15Å; G61-T180 VanDerWaalsContact O-CB 3.3Å; G61-T180 WeakPolarHBondContact O-CB 3.23Å; G61-T180 WeakPolarHBondContact O-CG2 3.14Å; G61-T180 PolarHBondContact O-OG1 2.81Å; G61-T180 VanDerWaalsContact O-OG1 3.12Å | ||
| 62 | T | 81.6 | Confident | 73.4 | Confident | 11 Ų | 11 | 68.8 Ų | 68.8 | 7% | 0.067 | 36% | 0.359 | C | S | . | . | trans | -99.2 | 161.5 | -179.8 | 91.2 | 0 | 0 | 0 | 0 | 112.3 | E64 E65 E173 R175 | T62-E64 VanDerWaalsContact C-N 3.32Å; T62-E64 PolarHBondContact O-N 2.93Å; T62-E65 HydrophobicContact CG2-CG 4.47Å; T62-E65 PolarHBondContact N-OE2 3.05Å; T62-E65 WeakPolarHBondContact O-CB 3.35Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 VanDerWaalsContact O-N 3.12Å; T62-E65 WeakPolarHBondContact OG1-CG 3.25Å; T62-E173 VanDerWaalsContact CG2-CD 3.44Å; T62-E173 WeakPolarHBondContact CG2-OE1 3.35Å; T62-E173 VanDerWaalsContact CG2-OE2 3.32Å; T62-E173 WeakPolarHBondContact CG2-OE2 3.27Å; T62-R175 VanDerWaalsContact CG2-NH2 3.3Å | ||
| 63 | Y | 79.9 | Confident | 75.8 | Confident | 27 Ų | 27 | 63.4 Ų | 63.4 | 11% | 0.106 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.4 | -42.1 | -178.9 | -172.1 | -94.6 | 0 | 0 | 0 | 112.6 | E65 C66 H200 L202 E214 L231 | Y63-E65 PolarHBondContact O-N 3.14Å; Y63-C66 WeakPolarHBondContact O-CB 3.26Å; Y63-C66 PolarHBondContact O-N 3.3Å; Y63-H200 AromaticContact CD1-CE1 3.47Å; Y63-H200 VanDerWaalsContact CD1-CE1 3.47Å; Y63-H200 WeakPolarHBondContact CD1-CE1 3.38Å; Y63-H200 AromaticContact CD1-ND1 3.38Å; Y63-H200 WeakPolarHBondContact CD1-ND1 3.37Å; Y63-H200 HydrophobicContact CD2-CB 4.48Å; Y63-H200 AromaticContact CD2-ND1 3.77Å; Y63-H200 AromaticContact CE1-CE1 3.73Å; Y63-H200 AromaticContact CE1-ND1 3.7Å; Y63-H200 HydrophobicContact CG-CB 4.36Å; Y63-H200 AromaticContact CG-CE1 3.96Å; Y63-H200 AromaticContact CG-ND1 3.41Å; Y63-L202 VanDerWaalsContact CA-CD1 3.49Å; Y63-L202 HydrophobicContact CD2-CD1 4.04Å; Y63-L202 HydrophobicContact CD2-CG 4.32Å; Y63-L202 HydrophobicContact CG-CD1 4.45Å; Y63-E214 HydrophobicContact CE1-CB 4.27Å; Y63-E214 HydrophobicContact CE1-CG 4.48Å; Y63-E214 WeakPolarHBondContact CE1-OE2 3.44Å; Y63-E214 HydrophobicContact CE2-CB 3.92Å; Y63-E214 WeakPolarHBondContact OH-CB 3.31Å; Y63-E214 PolarHBondContact OH-OE2 3.21Å; Y63-L231 HydrophobicContact CD2-CB 4.48Å; Y63-L231 HydrophobicContact CD2-CD1 3.76Å; Y63-L231 HydrophobicContact CE2-CB 3.7Å; Y63-L231 HydrophobicContact CE2-CD1 3.35Å; Y63-L231 HydrophobicContact CE2-CG 4.12Å; Y63-L231 HydrophobicContact CG-CD1 4.47Å |
| 64 | E | 76.9 | Confident | 78.3 | Confident | 128 Ų | 128 | 61.4 Ų | 61.4 | 60% | 0.598 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -62.6 | -27.9 | 177.9 | -60.6 | -176.7 | 163.4 | 0 | 0 | 112.6 | T62 C66 | T62-E64 VanDerWaalsContact C-N 3.32Å; T62-E64 PolarHBondContact O-N 2.93Å; E64-C66 VanDerWaalsContact C-N 3.3Å; E64-C66 PolarHBondContact O-N 3.27Å |
| 65 | E | 80.9 | Confident | 80.7 | Confident | 54 Ų | 54 | 54.3 Ų | 54.3 | 25% | 0.252 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -75 | -20.8 | -177.5 | -56.2 | -170.6 | 141.2 | 0 | 0 | 113 | T62 Y63 H67 R68 | T62-E65 HydrophobicContact CG2-CG 4.47Å; T62-E65 PolarHBondContact N-OE2 3.05Å; T62-E65 WeakPolarHBondContact O-CB 3.35Å; T62-E65 PolarHBondContact O-N 3.17Å; T62-E65 VanDerWaalsContact O-N 3.12Å; T62-E65 WeakPolarHBondContact OG1-CG 3.25Å; Y63-E65 PolarHBondContact O-N 3.14Å; E65-H67 VanDerWaalsContact C-N 3.34Å; E65-H67 PolarHBondContact O-N 3Å; E65-R68 VanDerWaalsContact CG-CZ 3.4Å; E65-R68 VanDerWaalsContact CG-NH1 3.3Å; E65-R68 VanDerWaalsContact CG-NH2 3.28Å; E65-R68 PolarHBondContact O-N 3.22Å; E65-R68 IonicContact OE1-CZ 2.8Å; E65-R68 VanDerWaalsContact OE1-CZ 3.23Å; E65-R68 IonicContact OE1-NH1 3.85Å; E65-R68 PolarHBondContact OE1-NH1 3.2Å; E65-R68 IonicContact OE1-NH2 3.23Å; E65-R68 PolarHBondContact OE1-NH2 3.31Å; E65-R68 IonicContact OE2-NH2 2.8Å |
| 66 | C | 82.4 | Confident | 82.5 | Confident | 4 Ų | 4 | 55.9 Ų | 55.9 | 3% | 0.027 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | -176 | -69.9 | 0 | 0 | 0 | 0 | 111.6 | Y63 E64 L231 T242 | Y63-C66 WeakPolarHBondContact O-CB 3.26Å; Y63-C66 PolarHBondContact O-N 3.3Å; E64-C66 VanDerWaalsContact C-N 3.3Å; E64-C66 PolarHBondContact O-N 3.27Å; C66-L231 HydrophobicContact CB-CD1 3.81Å; C66-L231 HydrophobicContact CB-CD2 4.22Å; C66-T242 HydrophobicContact CB-CG2 4.32Å; C66-T242 WeakPolarHBondContact O-CG2 3.1Å |
| 67 | H | 85.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 57.8 Ų | 57.8 | 10% | 0.102 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -93 | -12 | 176.3 | -67.2 | -73.1 | 0 | 0 | 0 | 113.6 | E65 K69 C70 K71 T242 T244 H251 T253 | E65-H67 VanDerWaalsContact C-N 3.34Å; E65-H67 PolarHBondContact O-N 3Å; H67-K69 PolarHBondContact O-N 3.28Å; H67-C70 PolarHBondContact O-N 3.1Å; H67-K71 PolarHBondContact O-N 3.13Å; H67-T242 PolarHBondContact CE1-OG1 3.35Å; H67-T242 PolarHBondContact ND1-OG1 2.9Å; H67-T242 VanDerWaalsContact ND1-OG1 3.13Å; H67-T244 PolarHBondContact NE2-OG1 2.84Å; H67-H251 AromaticContact CD2-ND1 3.87Å; H67-H251 AromaticContact CE1-CE1 3.79Å; H67-H251 AromaticContact CE1-ND1 3.16Å; H67-H251 PolarHBondContact CE1-ND1 3.14Å; H67-H251 AromaticContact CG-CE1 3.84Å; H67-H251 AromaticContact CG-ND1 3.75Å; H67-H251 AromaticContact ND1-CE1 3.47Å; H67-H251 PolarHBondContact ND1-CE1 2.83Å; H67-H251 AromaticContact ND1-ND1 3.33Å; H67-H251 PolarHBondContact ND1-ND1 2.83Å; H67-H251 AromaticContact NE2-ND1 3.54Å; H67-T253 VanDerWaalsContact ND1-CG2 3.31Å; H67-T253 WeakPolarHBondContact ND1-CG2 3.32Å; H67-T253 PolarHBondContact ND1-OG1 2.82Å |
| 68 | R | 87.7 | Confident | 84.1 | Confident | 105 Ų | 105 | 57 Ų | 57 | 40% | 0.396 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | -174.1 | -174.9 | 173.8 | 67.2 | -152.6 | -4.6 | 112.5 | E65 C70 K71 E72 | E65-R68 VanDerWaalsContact CG-CZ 3.4Å; E65-R68 VanDerWaalsContact CG-NH1 3.3Å; E65-R68 VanDerWaalsContact CG-NH2 3.28Å; E65-R68 PolarHBondContact O-N 3.22Å; E65-R68 IonicContact OE1-CZ 2.8Å; E65-R68 VanDerWaalsContact OE1-CZ 3.23Å; E65-R68 IonicContact OE1-NH1 3.85Å; E65-R68 PolarHBondContact OE1-NH1 3.2Å; E65-R68 IonicContact OE1-NH2 3.23Å; E65-R68 PolarHBondContact OE1-NH2 3.31Å; E65-R68 IonicContact OE2-NH2 2.8Å; R68-C70 VanDerWaalsContact C-N 3.29Å; R68-C70 PolarHBondContact O-N 3.05Å; R68-K71 PolarHBondContact O-N 2.78Å; R68-K71 VanDerWaalsContact O-N 3.15Å; R68-E72 WeakPolarHBondContact CD-OE1 3.48Å; R68-E72 HydrophobicContact CG-CG 4.11Å; R68-E72 VanDerWaalsContact CG-OE1 3.23Å; R68-E72 WeakPolarHBondContact CG-OE1 3.48Å; R68-E72 IonicContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.26Å; R68-E72 PolarHBondContact O-N 3.11Å |
| 69 | K | 85.1 | Confident | 84.6 | Confident | 106 Ų | 106 | 52 Ų | 52 | 46% | 0.461 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -58 | -40.4 | -179.4 | -73.1 | -170.3 | 176.7 | -177 | 0 | 112.8 | H67 V240 Y255 | H67-K69 PolarHBondContact O-N 3.28Å; K69-V240 HydrophobicContact CD-CG2 4.32Å; K69-Y255 HydrophobicContact CB-CG 4.44Å |
| 70 | C | 87.6 | Confident | 85 | Confident | 2 Ų | 2 | 50 Ų | 50 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -73.3 | -44 | 176.8 | -164.4 | 0 | 0 | 0 | 0 | 111 | H67 R68 E72 V73 F74 T253 V266 | H67-C70 PolarHBondContact O-N 3.1Å; R68-C70 VanDerWaalsContact C-N 3.29Å; R68-C70 PolarHBondContact O-N 3.05Å; C70-E72 VanDerWaalsContact C-N 3.29Å; C70-E72 PolarHBondContact O-N 2.76Å; C70-V73 WeakPolarHBondContact O-CB 3.24Å; C70-V73 PolarHBondContact O-N 2.96Å; C70-F74 WeakPolarHBondContact O-CD2 3.49Å; C70-F74 WeakPolarHBondContact O-CE2 3.36Å; C70-T253 HydrophobicContact CB-CG2 4.21Å; C70-V266 PolarHBondContact SG-O 3.08Å |
| 71 | K | 87.3 | Confident | 85.6 | Confident | 119 Ų | 119 | 51.7 Ų | 51.7 | 52% | 0.517 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -60 | -34.5 | 178.9 | -86.3 | -178.5 | 172.8 | 173.4 | 0 | 113.7 | H67 R68 V73 F74 | H67-K71 PolarHBondContact O-N 3.13Å; R68-K71 PolarHBondContact O-N 2.78Å; R68-K71 VanDerWaalsContact O-N 3.15Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 2.88Å; K71-F74 PolarHBondContact O-N 3.19Å |
| 72 | E | 88 | Confident | 86 | Confident | 81 Ų | 81 | 56.3 Ų | 56.3 | 38% | 0.379 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -67.5 | -24.2 | 178.8 | -77.3 | 174.9 | -178.9 | 0 | 0 | 113.8 | L5 R68 C70 F74 Q284 K295 | L5-E72 HydrophobicContact CD2-CG 4.21Å; R68-E72 WeakPolarHBondContact CD-OE1 3.48Å; R68-E72 HydrophobicContact CG-CG 4.11Å; R68-E72 VanDerWaalsContact CG-OE1 3.23Å; R68-E72 WeakPolarHBondContact CG-OE1 3.48Å; R68-E72 IonicContact NE-OE1 2.71Å; R68-E72 WeakPolarHBondContact O-CG 3.26Å; R68-E72 PolarHBondContact O-N 3.11Å; C70-E72 VanDerWaalsContact C-N 3.29Å; C70-E72 PolarHBondContact O-N 2.76Å; E72-F74 VanDerWaalsContact C-N 3.3Å; E72-Q284 PolarHBondContact O-OE1 2.95Å; E72-K295 PolarHBondContact O-NZ 2.94Å |
| 73 | V | 90.2 | Very high | 86.5 | Confident | 1 Ų | 1 | 58.5 Ų | 58.5 | 1% | 0.006 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -71.5 | -28.7 | 176.8 | 178.5 | 0 | 0 | 0 | 0 | 111.5 | C70 K71 Y255 Q263 Q284 | C70-V73 WeakPolarHBondContact O-CB 3.24Å; C70-V73 PolarHBondContact O-N 2.96Å; K71-V73 VanDerWaalsContact C-N 3.28Å; K71-V73 PolarHBondContact O-N 2.88Å; V73-Y255 HydrophobicContact CG2-CD2 3.7Å; V73-Y255 HydrophobicContact CG2-CE2 3.61Å; V73-Q263 HydrophobicContact CG2-CB 4.46Å; V73-Q284 HydrophobicContact CG1-CB 3.91Å |
| 74 | F | 90.6 | Very high | 87.1 | Confident | 26 Ų | 26 | 57.7 Ų | 57.7 | 11% | 0.114 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -73.7 | 143.2 | -177.9 | -67.1 | -83.1 | 0 | 0 | 0 | 112 | C70 K71 E72 E267 T297 | C70-F74 WeakPolarHBondContact O-CD2 3.49Å; C70-F74 WeakPolarHBondContact O-CE2 3.36Å; K71-F74 PolarHBondContact O-N 3.19Å; E72-F74 VanDerWaalsContact C-N 3.3Å; F74-E267 HydrophobicContact CE2-CB 3.88Å; F74-E267 WeakPolarHBondContact CE2-OE2 3.32Å; F74-E267 HydrophobicContact CZ-CB 3.69Å; F74-T297 WeakPolarHBondContact CD1-OG1 3.37Å |
| 75 | P | 90.6 | Very high | 87.9 | Confident | 12 Ų | 12 | 53.8 Ų | 53.8 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | P | Polyproline II helix | trans | -69.1 | 138.4 | 173.8 | 27.8 | -30.8 | 0 | 0 | 0 | 110.8 | K295 T297 T307 F324 | P75-K295 HydrophobicContact CB-CB 3.89Å; P75-T297 HydrophobicContact CG-CG2 3.4Å; P75-T297 VanDerWaalsContact CG-CG2 3.4Å; P75-T307 VanDerWaalsContact CB-OG1 3.26Å; P75-T307 WeakPolarHBondContact CB-OG1 3.26Å; P75-F324 HydrophobicContact CB-CZ 4.05Å; P75-F324 HydrophobicContact CG-CE1 4.4Å; P75-F324 HydrophobicContact CG-CZ 3.96Å |
| 76 | M | 86.8 | Confident | 88.4 | Confident | 93 Ų | 93 | 53.3 Ų | 53.3 | 46% | 0.458 | 25% | 0.252 | S | S | . | . | P | Polyproline II helix | trans | -77.5 | 133.7 | 170.9 | -64.7 | -176.2 | 74.4 | 0 | 0 | 110.2 | L5 M78 T307 | L5-M76 HydrophobicContact CD1-CE 4.29Å; L5-M76 HydrophobicContact CD1-CG 4.49Å; L5-M76 HydrophobicContact CD1-SD 3.61Å; M76-M78 PolarHBondContact O-N 3.45Å; M76-T307 PolarHBondContact O-OG1 3.11Å |
| 77 | Q | 84.2 | Confident | 88.8 | Confident | 135 Ų | 135 | 59.4 Ų | 59.4 | 63% | 0.631 | 28% | 0.278 | S | S | * | . | P | Polyproline II helix | trans | -64.7 | 124.2 | 171.3 | -71.6 | 177.9 | 3.7 | 0 | 0 | 110.1 | F324 | Q77-F324 VanDerWaalsContact CA-CE2 3.45Å; Q77-F324 HydrophobicContact CB-CD2 4.35Å; Q77-F324 HydrophobicContact CB-CE2 4.1Å; Q77-F324 HydrophobicContact CB-CZ 4.24Å; Q77-F324 HydrophobicContact CG-CD1 3.7Å; Q77-F324 HydrophobicContact CG-CD2 3.85Å; Q77-F324 HydrophobicContact CG-CE1 3.44Å; Q77-F324 VanDerWaalsContact CG-CE1 3.44Å; Q77-F324 HydrophobicContact CG-CE2 3.65Å; Q77-F324 HydrophobicContact CG-CG 3.89Å; Q77-F324 HydrophobicContact CG-CZ 3.42Å; Q77-F324 VanDerWaalsContact CG-CZ 3.42Å |
| 78 | M | 83.8 | Confident | 89 | Confident | 34 Ų | 34 | 61.1 Ų | 61.1 | 17% | 0.167 | 30% | 0.301 | C | S | . | . | trans | -119.6 | 133.6 | 176.4 | -59.9 | -175.8 | 72.3 | 0 | 0 | 108.5 | M76 T307 A320 C334 G335 | M76-M78 PolarHBondContact O-N 3.45Å; M78-T307 HydrophobicContact SD-CG2 4.3Å; M78-A320 HydrophobicContact CE-CB 4.07Å; M78-A320 HydrophobicContact SD-CB 4.01Å; M78-C334 CarbonylContact O-C 3.55Å; M78-G335 PolarHBondContact O-N 3.31Å | ||
| 79 | E | 85.7 | Confident | 89.1 | Confident | 57 Ų | 57 | 61.5 Ų | 61.5 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | trans | -128 | 137.3 | 175.2 | -166.6 | -161.5 | 135.7 | 0 | 0 | 109.1 | S102 T103 L104 | E79-S102 PolarHBondContact OE1-OG 3.33Å; E79-S102 VanDerWaalsContact OE1-OG 3.1Å; E79-T103 PolarHBondContact OE1-OG1 2.89Å; E79-L104 VanDerWaalsContact OE1-CB 3.26Å; E79-L104 WeakPolarHBondContact OE1-CB 3.33Å; E79-L104 VanDerWaalsContact OE1-CG 3.28Å; E79-L104 WeakPolarHBondContact OE1-CG 3.45Å; E79-L104 PolarHBondContact OE1-N 2.77Å; E79-L104 VanDerWaalsContact OE1-N 3.09Å | ||
| 80 | G | 88.2 | Confident | 89.2 | Confident | 12 Ų | 12 | 59.2 Ų | 59.2 | 12% | 0.124 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 70.6 | -143.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | L101 C334 G335 F336 | G80-L101 CarbonylContact C-O 3.48Å; G80-L101 WeakPolarHBondContact CA-O 3.5Å; G80-C334 PolarHBondContact N-O 3.48Å; G80-G335 CarbonylContact O-C 3.58Å; G80-G335 WeakPolarHBondContact O-CA 3.45Å; G80-F336 PolarHBondContact O-N 3.47Å |
| 81 | V | 91.4 | Very high | 89.1 | Confident | 42 Ų | 42 | 66.9 Ų | 66.9 | 26% | 0.255 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 121.4 | -175.3 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | L101 F336 | V81-L101 HydrophobicContact CB-CB 4.15Å; V81-L101 HydrophobicContact CB-CD1 4.14Å; V81-L101 HydrophobicContact CG1-CD1 4.5Å; V81-L101 PolarHBondContact N-O 2.81Å; V81-L101 PolarHBondContact O-N 3.27Å; V81-F336 WeakPolarHBondContact CA-O 3.14Å; V81-F336 HydrophobicContact CB-CE2 4.23Å; V81-F336 HydrophobicContact CB-CZ 4.11Å; V81-F336 HydrophobicContact CG1-CD2 4.03Å; V81-F336 HydrophobicContact CG1-CE2 3.46Å; V81-F336 VanDerWaalsContact CG1-CE2 3.46Å; V81-F336 HydrophobicContact CG1-CZ 3.78Å; V81-F336 HydrophobicContact CG2-CD1 4.2Å; V81-F336 HydrophobicContact CG2-CE1 3.46Å; V81-F336 VanDerWaalsContact CG2-CE1 3.46Å; V81-F336 HydrophobicContact CG2-CE2 3.87Å; V81-F336 HydrophobicContact CG2-CZ 3.26Å |
| 82 | R | 91.3 | Very high | 89.1 | Confident | 112 Ų | 112 | 65.1 Ų | 65.1 | 42% | 0.423 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 110.2 | 175.8 | -172.8 | -179.8 | 172.9 | -167.2 | -3.2 | 110.9 | V84 T98 I99 F336 G337 V338 | R82-V84 HydrophobicContact CG-CG2 4.05Å; R82-T98 HydrophobicContact CG-CG2 4.33Å; R82-I99 CarbonylContact C-O 3.54Å; R82-I99 WeakPolarHBondContact CA-O 3.25Å; R82-F336 PolarHBondContact N-O 2.83Å; R82-G337 CarbonylContact O-C 3.54Å; R82-G337 WeakPolarHBondContact O-CA 3.43Å; R82-V338 PolarHBondContact O-N 3.17Å |
| 83 | L | 92.8 | Very high | 89.1 | Confident | 56 Ų | 56 | 64.7 Ų | 64.7 | 29% | 0.293 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 119.8 | 172.9 | 178.1 | 64 | 0 | 0 | 0 | 109.2 | V85 T98 I99 V338 I340 | L83-V85 HydrophobicContact CD1-CG2 4.38Å; L83-V85 HydrophobicContact CG-CG2 4.21Å; L83-T98 CarbonylContact O-C 3.51Å; L83-T98 WeakPolarHBondContact O-CA 3.47Å; L83-I99 HydrophobicContact CB-CB 4.34Å; L83-I99 HydrophobicContact CD2-CD1 4.21Å; L83-I99 PolarHBondContact N-O 2.8Å; L83-I99 PolarHBondContact O-N 2.9Å; L83-V338 CarbonylContact C-O 3.59Å; L83-V338 WeakPolarHBondContact CA-O 3.18Å; L83-V338 HydrophobicContact CD1-CB 3.91Å; L83-V338 HydrophobicContact CD1-CG1 4.13Å; L83-I340 HydrophobicContact CD1-CD1 4.06Å; L83-I340 HydrophobicContact CD1-CG1 4.38Å |
| 84 | V | 92.9 | Very high | 89.2 | Confident | 10 Ų | 10 | 68.8 Ų | 68.8 | 6% | 0.061 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 122.7 | 175.1 | -177.1 | 0 | 0 | 0 | 0 | 108.4 | R82 H97 T98 V338 T339 I340 | R82-V84 HydrophobicContact CG-CG2 4.05Å; V84-H97 CarbonylContact C-O 3.49Å; V84-H97 WeakPolarHBondContact CA-O 3.33Å; V84-T98 HydrophobicContact CG2-CG2 4.1Å; V84-V338 PolarHBondContact N-O 2.7Å; V84-T339 HydrophobicContact CB-CG2 4.16Å; V84-T339 HydrophobicContact CG1-CG2 4.31Å; V84-T339 CarbonylContact O-C 3.58Å; V84-T339 VanDerWaalsContact O-CA 3.31Å; V84-T339 WeakPolarHBondContact O-CA 3.08Å; V84-I340 PolarHBondContact O-N 2.89Å |
| 85 | V | 92.8 | Very high | 89.3 | Confident | 47 Ų | 47 | 68.2 Ų | 68.2 | 29% | 0.285 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 109.8 | 174.6 | -174.1 | 0 | 0 | 0 | 0 | 108.4 | L83 S96 H97 I340 | L83-V85 HydrophobicContact CD1-CG2 4.38Å; L83-V85 HydrophobicContact CG-CG2 4.21Å; V85-S96 CarbonylContact O-C 3.46Å; V85-S96 WeakPolarHBondContact O-CA 3.21Å; V85-H97 HydrophobicContact CB-CB 4.26Å; V85-H97 PolarHBondContact N-O 3.01Å; V85-H97 PolarHBondContact O-N 3.05Å; V85-I340 CarbonylContact C-O 3.58Å; V85-I340 WeakPolarHBondContact CA-O 3.31Å; V85-I340 HydrophobicContact CG1-CB 4.45Å; V85-I340 HydrophobicContact CG2-CB 4.44Å; V85-I340 HydrophobicContact CG2-CD1 4.25Å |
| 86 | N | 91.4 | Very high | 89.4 | Confident | 44 Ų | 44 | 68.8 Ų | 68.8 | 24% | 0.235 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 126.5 | 177.4 | -68.9 | -28.4 | 0 | 0 | 0 | 108.9 | V95 S96 I340 G341 | N86-V95 CarbonylContact C-O 3.47Å; N86-V95 WeakPolarHBondContact CA-O 3.49Å; N86-S96 WeakPolarHBondContact OD1-CB 3.31Å; N86-S96 PolarHBondContact OD1-OG 3.13Å; N86-I340 PolarHBondContact N-O 2.89Å; N86-G341 WeakPolarHBondContact O-CA 3.46Å |
| 87 | K | 90.8 | Very high | 89.8 | Confident | 131 Ų | 131 | 67.3 Ų | 67.3 | 57% | 0.57 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 111.7 | 177.2 | -170 | 168.8 | -174.9 | 170.6 | 0 | 109.6 | L89 V95 | K87-L89 HydrophobicContact CD-CD2 4.26Å; K87-L89 HydrophobicContact CG-CD2 4.17Å; K87-L89 PolarHBondContact O-N 3.15Å; K87-V95 PolarHBondContact N-O 3.3Å; K87-V95 PolarHBondContact O-N 3.19Å |
| 88 | G | 90 | Very high | 90.2 | Very high | 58 Ų | 58 | 61.7 Ų | 61.7 | 60% | 0.598 | 33% | 0.328 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 117.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 89 | L | 88.8 | Confident | 90.6 | Very high | 113 Ų | 113 | 63.1 Ų | 63.1 | 59% | 0.592 | 34% | 0.336 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -29.8 | 171.1 | -59.4 | -177.5 | 0 | 0 | 0 | 110.9 | K87 F93 V95 | K87-L89 HydrophobicContact CD-CD2 4.26Å; K87-L89 HydrophobicContact CG-CD2 4.17Å; K87-L89 PolarHBondContact O-N 3.15Å; L89-F93 HydrophobicContact CB-CD1 4.19Å; L89-F93 HydrophobicContact CD1-CD1 3.9Å; L89-F93 HydrophobicContact CD1-CE1 3.92Å; L89-F93 HydrophobicContact CG-CD1 4.33Å; L89-F93 PolarHBondContact N-O 2.64Å; L89-V95 HydrophobicContact CD1-CG2 3.96Å; L89-V95 HydrophobicContact CG-CG2 4.33Å |
| 90 | S | 88.8 | Confident | 90.8 | Very high | 59 Ų | 59 | 62.9 Ų | 62.9 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.1 | 171.6 | 170.4 | 73.5 | 0 | 0 | 0 | 0 | 110 | H92 F93 | S90-H92 PolarHBondContact O-N 3.08Å; S90-H92 VanDerWaalsContact O-N 3.1Å; S90-H92 PolarHBondContact OG-N 3.45Å; S90-F93 PolarHBondContact N-O 3.36Å; S90-F93 VanDerWaalsContact N-O 3.14Å; S90-F93 PolarHBondContact O-N 3.09Å; S90-F93 VanDerWaalsContact O-N 3.13Å; S90-F93 VanDerWaalsContact O-O 3.06Å; S90-F93 WeakPolarHBondContact OG-CB 3.2Å; S90-F93 PolarHBondContact OG-N 3.06Å; S90-F93 VanDerWaalsContact OG-N 3.1Å |
| 91 | N | 84.4 | Confident | 90.9 | Very high | 162 Ų | 162 | 66.4 Ų | 66.4 | 87% | 0.866 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -22.3 | 174.5 | -64.9 | -13.9 | 0 | 0 | 0 | 113.4 | ||
| 92 | H | 86.8 | Confident | 90.6 | Very high | 82 Ų | 82 | 65.9 Ų | 65.9 | 38% | 0.38 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -11.7 | -178.3 | -60.2 | 98.8 | 0 | 0 | 0 | 112.5 | S90 Y115 V116 | S90-H92 PolarHBondContact O-N 3.08Å; S90-H92 VanDerWaalsContact O-N 3.1Å; S90-H92 PolarHBondContact OG-N 3.45Å; H92-Y115 HydrophobicContact CB-CD2 4.48Å; H92-Y115 HydrophobicContact CB-CE2 4.06Å; H92-Y115 CarbonylContact O-C 3.54Å; H92-Y115 VanDerWaalsContact O-CA 3.28Å; H92-Y115 WeakPolarHBondContact O-CA 3.42Å; H92-Y115 VanDerWaalsContact O-CD2 3.25Å; H92-Y115 WeakPolarHBondContact O-CD2 3.48Å; H92-V116 WeakPolarHBondContact CA-O 3.49Å; H92-V116 WeakPolarHBondContact CB-O 3.49Å; H92-V116 PolarHBondContact CD2-O 3.07Å; H92-V116 PolarHBondContact O-N 2.84Å |
| 93 | F | 89.6 | Confident | 89.8 | Confident | 73 Ų | 73 | 66.2 Ų | 66.2 | 32% | 0.32 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 116.5 | -172.2 | -167.5 | -102.9 | 0 | 0 | 0 | 111.8 | L89 S90 V95 T114 Y115 | L89-F93 HydrophobicContact CB-CD1 4.19Å; L89-F93 HydrophobicContact CD1-CD1 3.9Å; L89-F93 HydrophobicContact CD1-CE1 3.92Å; L89-F93 HydrophobicContact CG-CD1 4.33Å; L89-F93 PolarHBondContact N-O 2.64Å; S90-F93 PolarHBondContact N-O 3.36Å; S90-F93 VanDerWaalsContact N-O 3.14Å; S90-F93 PolarHBondContact O-N 3.09Å; S90-F93 VanDerWaalsContact O-N 3.13Å; S90-F93 VanDerWaalsContact O-O 3.06Å; S90-F93 WeakPolarHBondContact OG-CB 3.2Å; S90-F93 PolarHBondContact OG-N 3.06Å; S90-F93 VanDerWaalsContact OG-N 3.1Å; F93-V95 HydrophobicContact CD1-CG2 4.03Å; F93-V95 HydrophobicContact CE1-CG2 3.36Å; F93-V95 HydrophobicContact CZ-CG2 4.04Å; F93-T114 WeakPolarHBondContact CA-O 3.47Å; F93-Y115 HydrophobicContact CD2-CD2 4.15Å |
| 94 | Q | 90.8 | Very high | 89 | Confident | 87 Ų | 87 | 69.9 Ų | 69.9 | 41% | 0.407 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 137.4 | 178.7 | -177.2 | 177.2 | -10.2 | 0 | 0 | 109.9 | T114 | Q94-T114 PolarHBondContact N-O 2.81Å; Q94-T114 PolarHBondContact O-N 2.78Å |
| 95 | V | 93.8 | Very high | 88.1 | Confident | 13 Ų | 13 | 71.4 Ų | 71.4 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 138.8 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 108.6 | N86 K87 L89 F93 F111 | N86-V95 CarbonylContact C-O 3.47Å; N86-V95 WeakPolarHBondContact CA-O 3.49Å; K87-V95 PolarHBondContact N-O 3.3Å; K87-V95 PolarHBondContact O-N 3.19Å; L89-V95 HydrophobicContact CD1-CG2 3.96Å; L89-V95 HydrophobicContact CG-CG2 4.33Å; F93-V95 HydrophobicContact CD1-CG2 4.03Å; F93-V95 HydrophobicContact CE1-CG2 3.36Å; F93-V95 HydrophobicContact CZ-CG2 4.04Å; V95-F111 HydrophobicContact CG1-CD2 4.21Å; V95-F111 HydrophobicContact CG1-CE2 3.24Å; V95-F111 HydrophobicContact CG1-CZ 3.59Å |
| 96 | S | 93.3 | Very high | 87.4 | Confident | 24 Ų | 24 | 76.8 Ų | 76.8 | 17% | 0.168 | 43% | 0.431 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 133.1 | 178.5 | -173 | 0 | 0 | 0 | 0 | 110.2 | V85 N86 G112 | V85-S96 CarbonylContact O-C 3.46Å; V85-S96 WeakPolarHBondContact O-CA 3.21Å; N86-S96 WeakPolarHBondContact OD1-CB 3.31Å; N86-S96 PolarHBondContact OD1-OG 3.13Å; S96-G112 PolarHBondContact N-O 3.13Å; S96-G112 PolarHBondContact O-N 2.9Å |
| 97 | H | 93.9 | Very high | 87.2 | Confident | 63 Ų | 63 | 77.7 Ų | 77.7 | 29% | 0.292 | 44% | 0.441 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 111.8 | 172.9 | -61.4 | -95.5 | 0 | 0 | 0 | 107.6 | V84 V85 Y109 F111 | V84-H97 CarbonylContact C-O 3.49Å; V84-H97 WeakPolarHBondContact CA-O 3.33Å; V85-H97 HydrophobicContact CB-CB 4.26Å; V85-H97 PolarHBondContact N-O 3.01Å; V85-H97 PolarHBondContact O-N 3.05Å; H97-Y109 HydrophobicContact CB-CE2 4.11Å; H97-Y109 PolarHBondContact CE1-OH 3.18Å; H97-Y109 AromaticContact ND1-CE2 3.99Å; H97-Y109 AromaticContact ND1-CZ 3.74Å; H97-Y109 PolarHBondContact ND1-OH 3.45Å; H97-F111 AromaticContact CE1-CD2 3.62Å; H97-F111 AromaticContact CE1-CE2 3.61Å; H97-F111 AromaticContact ND1-CD2 3.81Å; H97-F111 AromaticContact NE2-CE2 3.99Å |
| 98 | T | 92.3 | Very high | 87.1 | Confident | 17 Ų | 17 | 72.6 Ų | 72.6 | 10% | 0.104 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 117 | 177.2 | -63.9 | 0 | 0 | 0 | 0 | 109.5 | R82 L83 V84 R110 | R82-T98 HydrophobicContact CG-CG2 4.33Å; L83-T98 CarbonylContact O-C 3.51Å; L83-T98 WeakPolarHBondContact O-CA 3.47Å; V84-T98 HydrophobicContact CG2-CG2 4.1Å; T98-R110 PolarHBondContact N-O 2.93Å; T98-R110 PolarHBondContact O-N 2.82Å |
| 99 | I | 92.9 | Very high | 87.1 | Confident | 63 Ų | 63 | 74.3 Ų | 74.3 | 32% | 0.323 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 118.5 | 170.6 | -62 | 159.3 | 0 | 0 | 0 | 106.9 | R82 L83 L101 Y109 | R82-I99 CarbonylContact C-O 3.54Å; R82-I99 WeakPolarHBondContact CA-O 3.25Å; L83-I99 HydrophobicContact CB-CB 4.34Å; L83-I99 HydrophobicContact CD2-CD1 4.21Å; L83-I99 PolarHBondContact N-O 2.8Å; L83-I99 PolarHBondContact O-N 2.9Å; I99-L101 HydrophobicContact CG2-CD1 4.43Å; I99-L101 HydrophobicContact CG2-CG 4.23Å; I99-Y109 HydrophobicContact CG1-CD2 3.71Å; I99-Y109 HydrophobicContact CG1-CE2 4.35Å |
| 100 | T | 90.5 | Very high | 87.3 | Confident | 52 Ų | 52 | 74 Ų | 74 | 32% | 0.319 | 41% | 0.405 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116 | 175.4 | -56.3 | 0 | 0 | 0 | 0 | 108.3 | S107 G108 | T100-S107 CarbonylContact O-C 3.47Å; T100-S107 VanDerWaalsContact O-CA 3.29Å; T100-S107 WeakPolarHBondContact O-CA 3.5Å; T100-G108 PolarHBondContact N-O 2.88Å; T100-G108 PolarHBondContact O-N 2.84Å |
| 101 | L | 89.4 | Confident | 87.5 | Confident | 86 Ų | 86 | 75 Ų | 75 | 45% | 0.45 | 40% | 0.402 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 111 | 173.7 | -65.3 | 154.3 | 0 | 0 | 0 | 107.2 | G80 V81 I99 S107 | G80-L101 CarbonylContact C-O 3.48Å; G80-L101 WeakPolarHBondContact CA-O 3.5Å; V81-L101 HydrophobicContact CB-CB 4.15Å; V81-L101 HydrophobicContact CB-CD1 4.14Å; V81-L101 HydrophobicContact CG1-CD1 4.5Å; V81-L101 PolarHBondContact N-O 2.81Å; V81-L101 PolarHBondContact O-N 3.27Å; I99-L101 HydrophobicContact CG2-CD1 4.43Å; I99-L101 HydrophobicContact CG2-CG 4.23Å; L101-S107 WeakPolarHBondContact CA-OG 3.28Å |
| 102 | S | 84.5 | Confident | 87.9 | Confident | 32 Ų | 32 | 67.9 Ų | 67.9 | 22% | 0.224 | 37% | 0.367 | C | S | . | . | trans | -104.5 | 150.8 | 177.2 | 177.9 | 0 | 0 | 0 | 0 | 110.4 | E79 L104 G105 S107 | E79-S102 PolarHBondContact OE1-OG 3.33Å; E79-S102 VanDerWaalsContact OE1-OG 3.1Å; S102-L104 PolarHBondContact OG-N 2.95Å; S102-G105 PolarHBondContact OG-N 2.74Å; S102-S107 PolarHBondContact N-OG 3.28Å | ||
| 103 | T | 75.9 | Confident | 88.2 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 72% | 0.724 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -90.4 | -25.5 | 173.9 | 43.6 | 0 | 0 | 0 | 0 | 112.8 | E79 | E79-T103 PolarHBondContact OE1-OG1 2.89Š|
| 104 | L | 74.4 | Confident | 88.3 | Confident | 134 Ų | 134 | 64 Ų | 64 | 70% | 0.702 | 36% | 0.357 | S | S | * | . | S | Bend | trans | -106.5 | -25.6 | -178.1 | -64 | 173.3 | 0 | 0 | 0 | 113.1 | E79 S102 | E79-L104 VanDerWaalsContact OE1-CB 3.26Å; E79-L104 WeakPolarHBondContact OE1-CB 3.33Å; E79-L104 VanDerWaalsContact OE1-CG 3.28Å; E79-L104 WeakPolarHBondContact OE1-CG 3.45Å; E79-L104 PolarHBondContact OE1-N 2.77Å; E79-L104 VanDerWaalsContact OE1-N 3.09Å; S102-L104 PolarHBondContact OG-N 2.95Å |
| 105 | G | 74.7 | Confident | 88.3 | Confident | 41 Ų | 41 | 64.5 Ų | 64.5 | 42% | 0.423 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -118.5 | -173.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S102 | S102-G105 PolarHBondContact OG-N 2.74Š|
| 106 | D | 78.9 | Confident | 87.9 | Confident | 161 Ų | 161 | 65.9 Ų | 65.9 | 86% | 0.861 | 36% | 0.364 | S | S | * | . | trans | -72.3 | 135.3 | 179.6 | -65.1 | -39.8 | 0 | 0 | 0 | 111.4 | ||||
| 107 | S | 86.6 | Confident | 87.4 | Confident | 63 Ų | 63 | 64.8 Ų | 64.8 | 44% | 0.441 | 36% | 0.357 | S | S | . | . | trans | -77.6 | 130.5 | 169.4 | -66.3 | 0 | 0 | 0 | 0 | 109.4 | T100 L101 S102 | T100-S107 CarbonylContact O-C 3.47Å; T100-S107 VanDerWaalsContact O-CA 3.29Å; T100-S107 WeakPolarHBondContact O-CA 3.5Å; L101-S107 WeakPolarHBondContact CA-OG 3.28Å; S102-S107 PolarHBondContact N-OG 3.28Å | ||
| 108 | G | 87.9 | Confident | 86.4 | Confident | 24 Ų | 24 | 66.3 Ų | 66.3 | 25% | 0.247 | 37% | 0.374 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 144.9 | -171.2 | 0 | 0 | 0 | 0 | 0 | 112 | T100 | T100-G108 PolarHBondContact N-O 2.88Å; T100-G108 PolarHBondContact O-N 2.84Å |
| 109 | Y | 91.8 | Very high | 85.1 | Confident | 93 Ų | 93 | 71.3 Ų | 71.3 | 37% | 0.365 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 132.1 | 164.9 | 170.3 | -102.2 | 0 | 0 | 0 | 108.8 | H97 I99 F111 N136 | H97-Y109 HydrophobicContact CB-CE2 4.11Å; H97-Y109 PolarHBondContact CE1-OH 3.18Å; H97-Y109 AromaticContact ND1-CE2 3.99Å; H97-Y109 AromaticContact ND1-CZ 3.74Å; H97-Y109 PolarHBondContact ND1-OH 3.45Å; I99-Y109 HydrophobicContact CG1-CD2 3.71Å; I99-Y109 HydrophobicContact CG1-CE2 4.35Å; Y109-F111 HydrophobicContact CE1-CB 4.01Å; Y109-N136 PolarHBondContact O-N 3.12Å |
| 110 | R | 91.5 | Very high | 83.6 | Confident | 106 Ų | 106 | 75.2 Ų | 75.2 | 40% | 0.4 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 123.1 | 178.5 | -178.3 | 178.2 | -65.8 | -154.7 | 9 | 109.6 | T98 D133 M134 | T98-R110 PolarHBondContact N-O 2.93Å; T98-R110 PolarHBondContact O-N 2.82Å; R110-D133 WeakPolarHBondContact CD-OD2 3.32Å; R110-D133 HydrophobicContact CG-CB 3.94Å; R110-D133 IonicContact CZ-OD2 3.31Å; R110-D133 IonicContact NE-OD2 2.68Å; R110-D133 PolarHBondContact NE-OD2 2.81Å; R110-D133 IonicContact NH1-OD2 3.94Å; R110-D133 PolarHBondContact NH1-OD2 3.1Å; R110-M134 WeakPolarHBondContact CA-O 3.38Å |
| 111 | F | 93.4 | Very high | 82.2 | Confident | 80 Ų | 80 | 75.8 Ų | 75.8 | 35% | 0.351 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 121.1 | 172.6 | 178.3 | -101.7 | 0 | 0 | 0 | 109 | V95 H97 Y109 D133 M134 | V95-F111 HydrophobicContact CG1-CD2 4.21Å; V95-F111 HydrophobicContact CG1-CE2 3.24Å; V95-F111 HydrophobicContact CG1-CZ 3.59Å; H97-F111 AromaticContact CE1-CD2 3.62Å; H97-F111 AromaticContact CE1-CE2 3.61Å; H97-F111 AromaticContact ND1-CD2 3.81Å; H97-F111 AromaticContact NE2-CE2 3.99Å; Y109-F111 HydrophobicContact CE1-CB 4.01Å; F111-D133 CarbonylContact O-C 3.56Å; F111-D133 VanDerWaalsContact O-CA 3.28Å; F111-D133 WeakPolarHBondContact O-CA 3.42Å; F111-M134 PolarHBondContact N-O 2.8Å; F111-M134 PolarHBondContact O-N 2.83Å |
| 112 | G | 93 | Very high | 80.7 | Confident | 13 Ų | 13 | 72.9 Ų | 72.9 | 13% | 0.134 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 143.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | S96 G132 | S96-G112 PolarHBondContact N-O 3.13Å; S96-G112 PolarHBondContact O-N 2.9Å; G112-G132 CarbonylContact C-O 3.55Å; G112-G132 WeakPolarHBondContact CA-O 3.3Å |
| 113 | S | 93 | Very high | 79.1 | Confident | 37 Ų | 37 | 78.5 Ų | 78.5 | 26% | 0.259 | 44% | 0.442 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 142 | 168.6 | 62.2 | 0 | 0 | 0 | 0 | 109.2 | V131 G132 | S113-V131 WeakPolarHBondContact O-CA 3.39Å; S113-G132 PolarHBondContact N-O 2.78Å; S113-G132 PolarHBondContact O-N 2.85Å |
| 114 | T | 91.6 | Very high | 78.2 | Confident | 37 Ų | 37 | 76.4 Ų | 76.4 | 23% | 0.227 | 44% | 0.436 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 122.7 | 177.4 | -59.7 | 0 | 0 | 0 | 0 | 108.5 | F93 Q94 V116 V129 I130 V131 | F93-T114 WeakPolarHBondContact CA-O 3.47Å; Q94-T114 PolarHBondContact N-O 2.81Å; Q94-T114 PolarHBondContact O-N 2.78Å; T114-V116 HydrophobicContact CG2-CG2 4.22Å; T114-V129 HydrophobicContact CG2-CG1 4.46Å; T114-I130 CarbonylContact C-O 3.6Å; T114-I130 WeakPolarHBondContact CA-O 3.3Å; T114-V131 HydrophobicContact CG2-CG2 3.96Å |
| 115 | Y | 90.1 | Very high | 77.8 | Confident | 97 Ų | 97 | 73.4 Ų | 73.4 | 38% | 0.38 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 127.8 | 172.3 | 177.8 | -102.2 | 0 | 0 | 0 | 109.2 | H92 F93 V129 I130 | H92-Y115 HydrophobicContact CB-CD2 4.48Å; H92-Y115 HydrophobicContact CB-CE2 4.06Å; H92-Y115 CarbonylContact O-C 3.54Å; H92-Y115 VanDerWaalsContact O-CA 3.28Å; H92-Y115 WeakPolarHBondContact O-CA 3.42Å; H92-Y115 VanDerWaalsContact O-CD2 3.25Å; H92-Y115 WeakPolarHBondContact O-CD2 3.48Å; F93-Y115 HydrophobicContact CD2-CD2 4.15Å; Y115-V129 CarbonylContact O-C 3.5Å; Y115-V129 WeakPolarHBondContact O-CA 3.17Å; Y115-I130 HydrophobicContact CD1-CD1 4.35Å; Y115-I130 PolarHBondContact N-O 2.8Å; Y115-I130 PolarHBondContact O-N 2.85Å |
| 116 | V | 86.8 | Confident | 77.4 | Confident | 43 Ų | 43 | 72.8 Ų | 72.8 | 26% | 0.261 | 41% | 0.408 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 122 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 107 | H92 T114 S126 V129 | H92-V116 WeakPolarHBondContact CA-O 3.49Å; H92-V116 WeakPolarHBondContact CB-O 3.49Å; H92-V116 PolarHBondContact CD2-O 3.07Å; H92-V116 PolarHBondContact O-N 2.84Å; T114-V116 HydrophobicContact CG2-CG2 4.22Å; V116-S126 VanDerWaalsContact CG1-CB 3.4Å; V116-V129 HydrophobicContact CG1-CG2 4.46Å; V116-V129 HydrophobicContact CG2-CG1 4.44Å |
| 117 | G | 82.1 | Confident | 77.2 | Confident | 1 Ų | 1 | 65.7 Ų | 65.7 | 1% | 0.01 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.2 | 169.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | S126 F127 P128 | G117-S126 WeakPolarHBondContact O-CB 3.34Å; G117-F127 CarbonylContact C-O 3.57Å; G117-P128 PolarHBondContact N-O 2.83Å |
| 118 | S | 73.1 | Confident | 77.1 | Confident | 94 Ų | 94 | 64.4 Ų | 64.4 | 66% | 0.657 | 36% | 0.36 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | -7.8 | -175.6 | 53.2 | 0 | 0 | 0 | 0 | 114.5 | Q120 | S118-Q120 PolarHBondContact O-N 2.87Å |
| 119 | K | 64.4 | Low | 77.1 | Confident | 122 Ų | 122 | 64.7 Ų | 64.7 | 53% | 0.53 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 92.9 | -179.5 | -167.4 | -179.3 | 179.3 | -174.4 | 0 | 109.1 | T121 F127 | K119-T121 PolarHBondContact O-N 2.92Å; K119-F127 WeakPolarHBondContact CB-O 3.39Å; K119-F127 PolarHBondContact N-O 2.96Å; K119-F127 PolarHBondContact O-N 3.44Å |
| 120 | Q | 63.2 | Low | 77.1 | Confident | 145 Ų | 145 | 63.7 Ų | 63.7 | 68% | 0.678 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.8 | 111.6 | 170.3 | -82.7 | 178.2 | -7.6 | 0 | 0 | 109.5 | S118 S126 | S118-Q120 PolarHBondContact O-N 2.87Å; Q120-S126 VanDerWaalsContact CG-OG 3.25Å; Q120-S126 WeakPolarHBondContact CG-OG 3.43Å |
| 121 | T | 59.5 | Low | 77.1 | Confident | 65 Ų | 65 | 60.8 Ų | 60.8 | 40% | 0.399 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | -14.5 | 173.2 | -38.1 | 0 | 0 | 0 | 0 | 111.1 | K119 E125 Q147 | K119-T121 PolarHBondContact O-N 2.92Å; T121-E125 PolarHBondContact N-O 3.01Å; T121-E125 VanDerWaalsContact N-O 3.15Å; T121-Q147 PolarHBondContact OG1-OE1 3.48Å |
| 122 | G | 57.5 | Low | 77.1 | Confident | 25 Ų | 25 | 57.7 Ų | 57.7 | 26% | 0.258 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.4 | 176.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | A124 E125 | G122-A124 PolarHBondContact O-N 2.97Å; G122-A124 VanDerWaalsContact O-N 3.09Å; G122-E125 PolarHBondContact O-N 2.91Å |
| 123 | P | 52.4 | Low | 77 | Confident | 149 Ų | 149 | 58.2 Ų | 58.2 | 97% | 0.968 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -20.7 | -173.4 | -20.4 | 30.8 | 0 | 0 | 0 | 114.8 | ||
| 124 | A | 55.9 | Low | 76.9 | Confident | 74 Ų | 74 | 61.1 Ų | 61.1 | 61% | 0.612 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -131.5 | 4 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G122 | G122-A124 PolarHBondContact O-N 2.97Å; G122-A124 VanDerWaalsContact O-N 3.09Å |
| 125 | E | 66.8 | Low | 76.8 | Confident | 72 Ų | 72 | 61 Ų | 61 | 34% | 0.336 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 108 | -174.6 | -64.2 | -164.2 | 156.6 | 0 | 0 | 111.2 | T121 G122 F127 R153 | T121-E125 PolarHBondContact N-O 3.01Å; T121-E125 VanDerWaalsContact N-O 3.15Å; G122-E125 PolarHBondContact O-N 2.91Å; E125-F127 HydrophobicContact CB-CD2 4.46Å; E125-F127 HydrophobicContact CB-CE2 3.71Å; E125-F127 HydrophobicContact CB-CZ 4.26Å; E125-F127 HydrophobicContact CG-CE2 4.47Å; E125-R153 IonicContact OE1-CZ 2.64Å; E125-R153 IonicContact OE1-NH2 2.93Å; E125-R153 PolarHBondContact OE1-NH2 2.79Å; E125-R153 IonicContact OE2-NH2 3.89Å; E125-R153 PolarHBondContact OE2-NH2 2.8Å |
| 126 | S | 65.8 | Low | 76.5 | Confident | 28 Ų | 28 | 61.6 Ų | 61.6 | 20% | 0.196 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 130.5 | 174.1 | -64.8 | 0 | 0 | 0 | 0 | 109.7 | V116 G117 Q120 V129 | V116-S126 VanDerWaalsContact CG1-CB 3.4Å; G117-S126 WeakPolarHBondContact O-CB 3.34Å; Q120-S126 VanDerWaalsContact CG-OG 3.25Å; Q120-S126 WeakPolarHBondContact CG-OG 3.43Å; S126-V129 WeakPolarHBondContact O-CG2 3.3Å |
| 127 | F | 75.7 | Confident | 76.4 | Confident | 12 Ų | 12 | 62.8 Ų | 62.8 | 5% | 0.053 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 159.5 | -179.5 | -66.4 | -74.1 | 0 | 0 | 0 | 111.7 | G117 K119 E125 V129 I145 Q147 | G117-F127 CarbonylContact C-O 3.57Å; K119-F127 WeakPolarHBondContact CB-O 3.39Å; K119-F127 PolarHBondContact N-O 2.96Å; K119-F127 PolarHBondContact O-N 3.44Å; E125-F127 HydrophobicContact CB-CD2 4.46Å; E125-F127 HydrophobicContact CB-CE2 3.71Å; E125-F127 HydrophobicContact CB-CZ 4.26Å; E125-F127 HydrophobicContact CG-CE2 4.47Å; F127-V129 HydrophobicContact CD1-CG2 4.26Å; F127-I145 HydrophobicContact CD1-CG2 4.22Å; F127-I145 HydrophobicContact CE1-CG2 3.73Å; F127-Q147 HydrophobicContact CB-CB 4.29Å; F127-Q147 HydrophobicContact CD1-CB 4.38Å; F127-Q147 HydrophobicContact CD2-CB 3.65Å; F127-Q147 HydrophobicContact CD2-CG 4.49Å; F127-Q147 HydrophobicContact CE2-CB 4.01Å; F127-Q147 HydrophobicContact CG-CB 3.85Å |
| 128 | P | 83.7 | Confident | 76.4 | Confident | 36 Ų | 36 | 63.8 Ų | 63.8 | 23% | 0.234 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | cis | -65.4 | 150.9 | -12 | 25.2 | -33.4 | 0 | 0 | 0 | 113.3 | G117 I145 | G117-P128 PolarHBondContact N-O 2.83Å; P128-I145 CarbonylContact C-O 3.49Å; P128-I145 WeakPolarHBondContact CA-O 3.49Å |
| 129 | V | 87.9 | Confident | 77.1 | Confident | 30 Ų | 30 | 60.2 Ų | 60.2 | 18% | 0.182 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 121.6 | 166.6 | -177 | 0 | 0 | 0 | 0 | 108 | T114 Y115 V116 S126 F127 V131 I145 | T114-V129 HydrophobicContact CG2-CG1 4.46Å; Y115-V129 CarbonylContact O-C 3.5Å; Y115-V129 WeakPolarHBondContact O-CA 3.17Å; V116-V129 HydrophobicContact CG1-CG2 4.46Å; V116-V129 HydrophobicContact CG2-CG1 4.44Å; S126-V129 WeakPolarHBondContact O-CG2 3.3Å; F127-V129 HydrophobicContact CD1-CG2 4.26Å; V129-V131 HydrophobicContact CG1-CG2 4.11Å; V129-I145 HydrophobicContact CB-CB 4.39Å; V129-I145 PolarHBondContact N-O 2.71Å; V129-I145 PolarHBondContact O-N 2.8Å |
| 130 | I | 91.3 | Very high | 78.3 | Confident | 71 Ų | 71 | 57.7 Ų | 57.7 | 36% | 0.364 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 121 | 177.1 | -56.7 | 173.4 | 0 | 0 | 0 | 107.2 | T114 Y115 Q143 V144 | T114-I130 CarbonylContact C-O 3.6Å; T114-I130 WeakPolarHBondContact CA-O 3.3Å; Y115-I130 HydrophobicContact CD1-CD1 4.35Å; Y115-I130 PolarHBondContact N-O 2.8Å; Y115-I130 PolarHBondContact O-N 2.85Å; I130-Q143 CarbonylContact C-O 3.59Å; I130-Q143 WeakPolarHBondContact CA-O 3.49Å; I130-V144 HydrophobicContact CG1-CG1 4.27Å; I130-V144 HydrophobicContact CG1-CG2 4.37Å; I130-V144 HydrophobicContact CG2-CG2 4.25Å |
| 131 | V | 91.5 | Very high | 79.6 | Confident | 45 Ų | 45 | 53 Ų | 53 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 131 | 174.5 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | S113 T114 V129 A142 Q143 | S113-V131 WeakPolarHBondContact O-CA 3.39Å; T114-V131 HydrophobicContact CG2-CG2 3.96Å; V129-V131 HydrophobicContact CG1-CG2 4.11Å; V131-A142 CarbonylContact O-C 3.39Å; V131-A142 WeakPolarHBondContact O-CA 3.43Å; V131-Q143 HydrophobicContact CB-CB 4.46Å; V131-Q143 PolarHBondContact N-O 2.77Å; V131-Q143 PolarHBondContact O-N 2.84Å |
| 132 | G | 92.9 | Very high | 81.1 | Confident | 15 Ų | 15 | 51.2 Ų | 51.2 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 125.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 110 | G112 S113 N141 | G112-G132 CarbonylContact C-O 3.55Å; G112-G132 WeakPolarHBondContact CA-O 3.3Å; S113-G132 PolarHBondContact N-O 2.78Å; S113-G132 PolarHBondContact O-N 2.85Å; G132-N141 CarbonylContact C-O 3.56Å; G132-N141 WeakPolarHBondContact CA-O 3.5Å |
| 133 | D | 91.3 | Very high | 82.8 | Confident | 24 Ų | 24 | 52.5 Ų | 52.5 | 13% | 0.128 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 136.9 | 171.3 | 70.6 | -88.1 | 0 | 0 | 0 | 112.2 | R110 F111 L140 N141 | R110-D133 WeakPolarHBondContact CD-OD2 3.32Å; R110-D133 HydrophobicContact CG-CB 3.94Å; R110-D133 IonicContact CZ-OD2 3.31Å; R110-D133 IonicContact NE-OD2 2.68Å; R110-D133 PolarHBondContact NE-OD2 2.81Å; R110-D133 IonicContact NH1-OD2 3.94Å; R110-D133 PolarHBondContact NH1-OD2 3.1Å; F111-D133 CarbonylContact O-C 3.56Å; F111-D133 VanDerWaalsContact O-CA 3.28Å; F111-D133 WeakPolarHBondContact O-CA 3.42Å; D133-L140 CarbonylContact O-C 3.56Å; D133-L140 WeakPolarHBondContact O-CA 3.18Å; D133-N141 PolarHBondContact N-O 2.82Å; D133-N141 PolarHBondContact O-N 2.88Å; D133-N141 WeakPolarHBondContact OD1-CB 3.27Å |
| 134 | M | 91.2 | Very high | 84.7 | Confident | 98 Ų | 98 | 48.1 Ų | 48.1 | 48% | 0.483 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 131.5 | 179.7 | -169 | 174 | -176.7 | 0 | 0 | 109.6 | R110 F111 S139 L140 | R110-M134 WeakPolarHBondContact CA-O 3.38Å; F111-M134 PolarHBondContact N-O 2.8Å; F111-M134 PolarHBondContact O-N 2.83Å; M134-S139 WeakPolarHBondContact CA-O 3.33Å; M134-L140 HydrophobicContact CB-CD1 4.25Å |
| 135 | D | 89.1 | Confident | 86.3 | Confident | 35 Ų | 35 | 46.3 Ų | 46.3 | 19% | 0.187 | 26% | 0.264 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 169.5 | 173.2 | 75 | 20.4 | 0 | 0 | 0 | 112.5 | T137 G138 S139 | D135-T137 VanDerWaalsContact CG-OG1 3.24Å; D135-T137 PolarHBondContact O-N 2.73Å; D135-T137 WeakPolarHBondContact OD1-CA 3.38Å; D135-T137 PolarHBondContact OD1-N 2.81Å; D135-T137 PolarHBondContact OD1-OG1 2.81Å; D135-T137 PolarHBondContact OD2-OG1 2.91Å; D135-G138 PolarHBondContact O-N 3.21Å; D135-G138 PolarHBondContact OD1-N 2.83Å; D135-S139 VanDerWaalsContact CG-CB 3.48Å; D135-S139 PolarHBondContact N-O 3.4Å; D135-S139 PolarHBondContact OD1-N 3.12Å; D135-S139 PolarHBondContact OD1-OG 2.76Å; D135-S139 WeakPolarHBondContact OD2-CB 3.38Å; D135-S139 PolarHBondContact OD2-OG 2.81Å |
| 136 | N | 85.4 | Confident | 87.2 | Confident | 109 Ų | 109 | 46.3 Ų | 46.3 | 58% | 0.583 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -14.7 | 177.6 | 62 | -31.6 | 0 | 0 | 0 | 114.6 | Y109 | Y109-N136 PolarHBondContact O-N 3.12Š|
| 137 | T | 83.5 | Confident | 88 | Confident | 68 Ų | 68 | 45.8 Ų | 45.8 | 42% | 0.417 | 26% | 0.259 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | -5.5 | 179.6 | 69.4 | 0 | 0 | 0 | 0 | 112.9 | D135 S139 Q162 | D135-T137 VanDerWaalsContact CG-OG1 3.24Å; D135-T137 PolarHBondContact O-N 2.73Å; D135-T137 WeakPolarHBondContact OD1-CA 3.38Å; D135-T137 PolarHBondContact OD1-N 2.81Å; D135-T137 PolarHBondContact OD1-OG1 2.81Å; D135-T137 PolarHBondContact OD2-OG1 2.91Å; T137-S139 PolarHBondContact OG1-OG 3.2Å; T137-Q162 WeakPolarHBondContact O-CG 3.41Å |
| 138 | G | 81.4 | Confident | 88.1 | Confident | 22 Ų | 22 | 49.9 Ų | 49.9 | 23% | 0.227 | 28% | 0.281 | C | S | . | . | S | Bend | trans | 89.1 | 12.4 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | D135 L140 | D135-G138 PolarHBondContact O-N 3.21Å; D135-G138 PolarHBondContact OD1-N 2.83Å; G138-L140 PolarHBondContact O-N 3.38Å |
| 139 | S | 87.8 | Confident | 87.9 | Confident | 19 Ų | 19 | 52 Ų | 52 | 13% | 0.133 | 29% | 0.293 | C | S | . | . | trans | -74.6 | 118.7 | 167.5 | -40.8 | 0 | 0 | 0 | 0 | 108.9 | M134 D135 T137 T160 | M134-S139 WeakPolarHBondContact CA-O 3.33Å; D135-S139 VanDerWaalsContact CG-CB 3.48Å; D135-S139 PolarHBondContact N-O 3.4Å; D135-S139 PolarHBondContact OD1-N 3.12Å; D135-S139 PolarHBondContact OD1-OG 2.76Å; D135-S139 WeakPolarHBondContact OD2-CB 3.38Å; D135-S139 PolarHBondContact OD2-OG 2.81Å; T137-S139 PolarHBondContact OG1-OG 3.2Å; S139-T160 WeakPolarHBondContact CA-O 3.44Å; S139-T160 VanDerWaalsContact CB-O 3.23Å; S139-T160 WeakPolarHBondContact CB-O 3.21Å | ||
| 140 | L | 89.5 | Confident | 87.2 | Confident | 70 Ų | 70 | 55.3 Ų | 55.3 | 37% | 0.366 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 133.6 | 176.6 | 176.5 | 71.6 | 0 | 0 | 0 | 108.5 | D133 M134 G138 Q159 T160 | D133-L140 CarbonylContact O-C 3.56Å; D133-L140 WeakPolarHBondContact O-CA 3.18Å; M134-L140 HydrophobicContact CB-CD1 4.25Å; G138-L140 PolarHBondContact O-N 3.38Å; L140-Q159 CarbonylContact O-C 3.56Å; L140-Q159 WeakPolarHBondContact O-CA 3.38Å; L140-T160 VanDerWaalsContact CB-OG1 3.31Å; L140-T160 WeakPolarHBondContact CB-OG1 3.31Å; L140-T160 PolarHBondContact N-O 2.81Å; L140-T160 PolarHBondContact N-OG1 2.79Å; L140-T160 PolarHBondContact O-N 2.79Å |
| 141 | N | 91.3 | Very high | 86.7 | Confident | 47 Ų | 47 | 53.1 Ų | 53.1 | 25% | 0.251 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 122.9 | 163.4 | -176.2 | -45 | 0 | 0 | 0 | 107.9 | G132 D133 M158 | G132-N141 CarbonylContact C-O 3.56Å; G132-N141 WeakPolarHBondContact CA-O 3.5Å; D133-N141 PolarHBondContact N-O 2.82Å; D133-N141 PolarHBondContact O-N 2.88Å; D133-N141 WeakPolarHBondContact OD1-CB 3.27Å; N141-M158 CarbonylContact C-O 3.55Å; N141-M158 WeakPolarHBondContact CA-O 2.94Å |
| 142 | A | 91.9 | Very high | 86.4 | Confident | 26 Ų | 26 | 53 Ų | 53 | 22% | 0.215 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.7 | 132.1 | -178.8 | 0 | 0 | 0 | 0 | 0 | 109 | V131 A157 M158 | V131-A142 CarbonylContact O-C 3.39Å; V131-A142 WeakPolarHBondContact O-CA 3.43Å; A142-A157 CarbonylContact O-C 3.56Å; A142-A157 WeakPolarHBondContact O-CA 3.41Å; A142-M158 PolarHBondContact N-O 2.87Å; A142-M158 PolarHBondContact O-N 2.85Å |
| 143 | Q | 92.1 | Very high | 86.2 | Confident | 53 Ų | 53 | 54.3 Ų | 54.3 | 25% | 0.248 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 125.9 | 177.6 | -171.8 | -177.9 | -6.2 | 0 | 0 | 109.5 | I130 V131 I145 K155 I156 | I130-Q143 CarbonylContact C-O 3.59Å; I130-Q143 WeakPolarHBondContact CA-O 3.49Å; V131-Q143 HydrophobicContact CB-CB 4.46Å; V131-Q143 PolarHBondContact N-O 2.77Å; V131-Q143 PolarHBondContact O-N 2.84Å; Q143-I145 HydrophobicContact CG-CG1 4.21Å; Q143-K155 HydrophobicContact CG-CG 4.28Å; Q143-K155 VanDerWaalsContact NE2-CD 3.35Å; Q143-I156 CarbonylContact C-O 3.53Å; Q143-I156 VanDerWaalsContact CA-O 3.31Å; Q143-I156 WeakPolarHBondContact CA-O 3.47Å |
| 144 | V | 91.7 | Very high | 86.1 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 34% | 0.339 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 114.7 | 177.4 | -179.9 | 0 | 0 | 0 | 0 | 107.9 | I130 K155 I156 | I130-V144 HydrophobicContact CG1-CG1 4.27Å; I130-V144 HydrophobicContact CG1-CG2 4.37Å; I130-V144 HydrophobicContact CG2-CG2 4.25Å; V144-K155 CarbonylContact O-C 3.52Å; V144-K155 VanDerWaalsContact O-CA 3.32Å; V144-K155 WeakPolarHBondContact O-CA 3.42Å; V144-I156 PolarHBondContact N-O 2.77Å; V144-I156 PolarHBondContact O-N 2.66Å |
| 145 | I | 90.1 | Very high | 86.1 | Confident | 36 Ų | 36 | 51.5 Ų | 51.5 | 19% | 0.185 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 120.2 | 174.7 | -49.2 | 175 | 0 | 0 | 0 | 107.8 | F127 P128 V129 Q143 R153 S154 K155 | F127-I145 HydrophobicContact CD1-CG2 4.22Å; F127-I145 HydrophobicContact CE1-CG2 3.73Å; P128-I145 CarbonylContact C-O 3.49Å; P128-I145 WeakPolarHBondContact CA-O 3.49Å; V129-I145 HydrophobicContact CB-CB 4.39Å; V129-I145 PolarHBondContact N-O 2.71Å; V129-I145 PolarHBondContact O-N 2.8Å; Q143-I145 HydrophobicContact CG-CG1 4.21Å; I145-R153 HydrophobicContact CG2-CG 4.18Å; I145-S154 WeakPolarHBondContact CA-O 3.33Å; I145-K155 HydrophobicContact CG1-CB 4.28Å; I145-K155 HydrophobicContact CG1-CD 4.48Å; I145-K155 HydrophobicContact CG1-CG 4.15Å |
| 146 | H | 86.9 | Confident | 86.3 | Confident | 73 Ų | 73 | 52.5 Ų | 52.5 | 34% | 0.338 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 127.8 | 179.7 | -164.5 | 61 | 0 | 0 | 0 | 111.4 | L148 S154 | H146-L148 PolarHBondContact O-N 2.89Å; H146-S154 PolarHBondContact N-O 2.77Å; H146-S154 PolarHBondContact O-N 2.82Å; H146-S154 VanDerWaalsContact O-O 3.13Å |
| 147 | Q | 82.4 | Confident | 86.6 | Confident | 16 Ų | 16 | 48.3 Ų | 48.3 | 8% | 0.075 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 100.8 | 172.3 | -173.7 | 176 | 15.5 | 0 | 0 | 108.9 | T121 F127 T149 S150 V152 | T121-Q147 PolarHBondContact OG1-OE1 3.48Å; F127-Q147 HydrophobicContact CB-CB 4.29Å; F127-Q147 HydrophobicContact CD1-CB 4.38Å; F127-Q147 HydrophobicContact CD2-CB 3.65Å; F127-Q147 HydrophobicContact CD2-CG 4.49Å; F127-Q147 HydrophobicContact CE2-CB 4.01Å; F127-Q147 HydrophobicContact CG-CB 3.85Å; Q147-T149 WeakPolarHBondContact CG-O 3.35Å; Q147-T149 PolarHBondContact NE2-O 2.77Å; Q147-S150 PolarHBondContact NE2-O 2.81Å; Q147-V152 CarbonylContact C-O 3.53Å |
| 148 | L | 77.5 | Confident | 86.9 | Confident | 98 Ų | 98 | 49.3 Ų | 49.3 | 51% | 0.513 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -68.8 | -39.3 | -179.2 | -71.3 | 109.5 | 0 | 0 | 0 | 111.5 | H146 V152 S154 | H146-L148 PolarHBondContact O-N 2.89Å; L148-V152 HydrophobicContact CB-CG1 4.45Å; L148-V152 HydrophobicContact CD1-CG1 4.33Å; L148-V152 PolarHBondContact N-O 3.47Å; L148-S154 VanDerWaalsContact CD1-CB 3.41Å |
| 149 | T | 78.9 | Confident | 87.3 | Confident | 80 Ų | 80 | 52.6 Ų | 52.6 | 49% | 0.491 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -140.3 | 164.7 | -179.3 | -55.5 | 0 | 0 | 0 | 0 | 109.3 | Q147 A151 V152 | Q147-T149 WeakPolarHBondContact CG-O 3.35Å; Q147-T149 PolarHBondContact NE2-O 2.77Å; T149-A151 PolarHBondContact O-N 2.81Å; T149-A151 VanDerWaalsContact O-N 3.08Å; T149-V152 PolarHBondContact N-O 2.9Å; T149-V152 PolarHBondContact O-N 2.72Å; T149-V152 VanDerWaalsContact O-N 3.09Å; T149-V152 VanDerWaalsContact O-O 3.11Å |
| 150 | S | 73.5 | Confident | 87.3 | Confident | 101 Ų | 101 | 52.6 Ų | 52.6 | 71% | 0.706 | 29% | 0.29 | S | S | * | . | S | Bend | trans | -50.3 | -35.4 | 176.7 | 51.7 | 0 | 0 | 0 | 0 | 113.4 | Q147 | Q147-S150 PolarHBondContact NE2-O 2.81Š|
| 151 | A | 81.3 | Confident | 87 | Confident | 25 Ų | 25 | 54.8 Ų | 54.8 | 21% | 0.207 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -97.6 | -16.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115 | T149 Y174 R175 | T149-A151 PolarHBondContact O-N 2.81Å; T149-A151 VanDerWaalsContact O-N 3.08Å; A151-Y174 HydrophobicContact CB-CE2 4.18Å; A151-R175 WeakPolarHBondContact CB-O 3.33Å; A151-R175 PolarHBondContact O-N 3.03Å |
| 152 | V | 85.8 | Confident | 86.6 | Confident | 42 Ų | 42 | 57.9 Ų | 57.9 | 26% | 0.255 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 120.3 | -171.2 | -178.6 | 0 | 0 | 0 | 0 | 111 | Q147 L148 T149 E173 Y174 | Q147-V152 CarbonylContact C-O 3.53Å; L148-V152 HydrophobicContact CB-CG1 4.45Å; L148-V152 HydrophobicContact CD1-CG1 4.33Å; L148-V152 PolarHBondContact N-O 3.47Å; T149-V152 PolarHBondContact N-O 2.9Å; T149-V152 PolarHBondContact O-N 2.72Å; T149-V152 VanDerWaalsContact O-N 3.09Å; T149-V152 VanDerWaalsContact O-O 3.11Å; V152-E173 WeakPolarHBondContact CA-O 3.43Å; V152-Y174 HydrophobicContact CG2-CD2 3.81Å; V152-Y174 HydrophobicContact CG2-CE2 4.3Å |
| 153 | R | 86.9 | Confident | 85.7 | Confident | 43 Ų | 43 | 63.7 Ų | 63.7 | 16% | 0.162 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.5 | 174.3 | -179 | -178.4 | -66.8 | -166.6 | -1.8 | 109.2 | E125 I145 E173 R175 | E125-R153 IonicContact OE1-CZ 2.64Å; E125-R153 IonicContact OE1-NH2 2.93Å; E125-R153 PolarHBondContact OE1-NH2 2.79Å; E125-R153 IonicContact OE2-NH2 3.89Å; E125-R153 PolarHBondContact OE2-NH2 2.8Å; I145-R153 HydrophobicContact CG2-CG 4.18Å; R153-E173 HydrophobicContact CB-CB 4.29Å; R153-E173 PolarHBondContact N-O 3.44Å; R153-E173 PolarHBondContact O-N 2.8Å; R153-R175 VanDerWaalsContact NH1-NH2 3.15Å |
| 154 | S | 89.9 | Confident | 85.1 | Confident | 11 Ų | 11 | 67.5 Ų | 67.5 | 8% | 0.077 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 140.9 | 170.3 | -180 | 0 | 0 | 0 | 0 | 109.4 | I145 H146 L148 D171 | I145-S154 WeakPolarHBondContact CA-O 3.33Å; H146-S154 PolarHBondContact N-O 2.77Å; H146-S154 PolarHBondContact O-N 2.82Å; H146-S154 VanDerWaalsContact O-O 3.13Å; L148-S154 VanDerWaalsContact CD1-CB 3.41Å; S154-D171 CarbonylContact C-O 3.58Å; S154-D171 VanDerWaalsContact CA-O 3.27Å; S154-D171 WeakPolarHBondContact CA-O 3.4Å; S154-D171 PolarHBondContact OG-O 2.86Å |
| 155 | K | 91.3 | Very high | 84.4 | Confident | 52 Ų | 52 | 72.6 Ų | 72.6 | 23% | 0.226 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 128.8 | 174.9 | 161.4 | -174.8 | 158 | -161.8 | 0 | 107.8 | Q143 V144 I145 D171 | Q143-K155 HydrophobicContact CG-CG 4.28Å; Q143-K155 VanDerWaalsContact NE2-CD 3.35Å; V144-K155 CarbonylContact O-C 3.52Å; V144-K155 VanDerWaalsContact O-CA 3.32Å; V144-K155 WeakPolarHBondContact O-CA 3.42Å; I145-K155 HydrophobicContact CG1-CB 4.28Å; I145-K155 HydrophobicContact CG1-CD 4.48Å; I145-K155 HydrophobicContact CG1-CG 4.15Å; K155-D171 HydrophobicContact CB-CB 4.07Å; K155-D171 WeakPolarHBondContact CD-OD2 3.42Å; K155-D171 VanDerWaalsContact CE-OD2 3.3Å; K155-D171 WeakPolarHBondContact CE-OD2 3.34Å; K155-D171 PolarHBondContact N-O 3.08Å; K155-D171 IonicContact NZ-OD2 2.89Å; K155-D171 PolarHBondContact O-N 2.82Å |
| 156 | I | 92.6 | Very high | 84 | Confident | 55 Ų | 55 | 74.2 Ų | 74.2 | 28% | 0.282 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.5 | 122.2 | 177.9 | -58.4 | 172.8 | 0 | 0 | 0 | 106.5 | Q143 V144 M158 Q169 | Q143-I156 CarbonylContact C-O 3.53Å; Q143-I156 VanDerWaalsContact CA-O 3.31Å; Q143-I156 WeakPolarHBondContact CA-O 3.47Å; V144-I156 PolarHBondContact N-O 2.77Å; V144-I156 PolarHBondContact O-N 2.66Å; I156-M158 HydrophobicContact CG2-CE 3.8Å; I156-M158 HydrophobicContact CG2-CG 4.31Å; I156-Q169 CarbonylContact C-O 3.59Å; I156-Q169 WeakPolarHBondContact CA-O 3.21Å |
| 157 | A | 91.8 | Very high | 83.9 | Confident | 21 Ų | 21 | 72.4 Ų | 72.4 | 17% | 0.174 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 129.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | A142 W168 Q169 | A142-A157 CarbonylContact O-C 3.56Å; A142-A157 WeakPolarHBondContact O-CA 3.41Å; A157-W168 CarbonylContact O-C 3.54Å; A157-W168 VanDerWaalsContact O-CA 3.29Å; A157-W168 WeakPolarHBondContact O-CA 3.31Å; A157-Q169 HydrophobicContact CB-CB 4.5Å; A157-Q169 PolarHBondContact N-O 3.23Å; A157-Q169 PolarHBondContact O-N 2.8Å |
| 158 | M | 91.3 | Very high | 84.1 | Confident | 90 Ų | 90 | 76.6 Ų | 76.6 | 44% | 0.443 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 131.6 | 178.3 | -62.4 | -176 | -177.5 | 0 | 0 | 108.9 | N141 A142 I156 W168 | N141-M158 CarbonylContact C-O 3.55Å; N141-M158 WeakPolarHBondContact CA-O 2.94Å; A142-M158 PolarHBondContact N-O 2.87Å; A142-M158 PolarHBondContact O-N 2.85Å; I156-M158 HydrophobicContact CG2-CE 3.8Å; I156-M158 HydrophobicContact CG2-CG 4.31Å; M158-W168 HydrophobicContact CG-CB 4.41Å |
| 159 | Q | 89.1 | Confident | 84.8 | Confident | 90 Ų | 90 | 75.4 Ų | 75.4 | 42% | 0.421 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 119.1 | 176.4 | -169.7 | 179.4 | 11.4 | 0 | 0 | 110.2 | L140 V166 N167 | L140-Q159 CarbonylContact O-C 3.56Å; L140-Q159 WeakPolarHBondContact O-CA 3.38Å; Q159-V166 PolarHBondContact O-N 2.77Å; Q159-V166 VanDerWaalsContact O-N 3.08Å; Q159-N167 HydrophobicContact CB-CB 4.28Å; Q159-N167 PolarHBondContact N-O 2.64Å; Q159-N167 PolarHBondContact O-N 3.13Å; Q159-N167 VanDerWaalsContact O-N 3.11Å |
| 160 | T | 87.8 | Confident | 85.4 | Confident | 19 Ų | 19 | 72.3 Ų | 72.3 | 12% | 0.117 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 148.1 | 168.8 | 72.8 | 0 | 0 | 0 | 0 | 109.3 | S139 L140 K164 F165 | S139-T160 WeakPolarHBondContact CA-O 3.44Å; S139-T160 VanDerWaalsContact CB-O 3.23Å; S139-T160 WeakPolarHBondContact CB-O 3.21Å; L140-T160 VanDerWaalsContact CB-OG1 3.31Å; L140-T160 WeakPolarHBondContact CB-OG1 3.31Å; L140-T160 PolarHBondContact N-O 2.81Å; L140-T160 PolarHBondContact N-OG1 2.79Å; L140-T160 PolarHBondContact O-N 2.79Å; T160-K164 WeakPolarHBondContact CA-O 3.26Å; T160-F165 HydrophobicContact CG2-CD1 3.7Å; T160-F165 HydrophobicContact CG2-CE1 3.57Å; T160-F165 HydrophobicContact CG2-CE2 4.49Å; T160-F165 HydrophobicContact CG2-CG 4.23Å; T160-F165 HydrophobicContact CG2-CZ 4Å |
| 161 | Q | 84.1 | Confident | 86.3 | Confident | 116 Ų | 116 | 68.3 Ų | 68.3 | 54% | 0.542 | 33% | 0.331 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 109 | 168 | -171.6 | 176.5 | 14.9 | 0 | 0 | 107.1 | H163 K164 V166 | Q161-H163 PolarHBondContact O-N 2.81Å; Q161-K164 PolarHBondContact N-O 2.83Å; Q161-K164 PolarHBondContact O-N 2.95Å; Q161-V166 HydrophobicContact CB-CG2 3.37Å |
| 162 | Q | 81.9 | Confident | 86.8 | Confident | 112 Ų | 112 | 71.9 Ų | 71.9 | 52% | 0.523 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.5 | -104.7 | -174.3 | -53.6 | 177.2 | -24.2 | 0 | 0 | 111.9 | T137 | T137-Q162 WeakPolarHBondContact O-CG 3.41Š|
| 163 | H | 73.5 | Confident | 87 | Confident | 149 Ų | 149 | 71.2 Ų | 71.2 | 69% | 0.69 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -0.8 | -175.9 | 67 | -79.1 | 0 | 0 | 0 | 113.7 | Q161 | Q161-H163 PolarHBondContact O-N 2.81Š|
| 164 | K | 78.6 | Confident | 87.2 | Confident | 133 Ų | 133 | 74.3 Ų | 74.3 | 58% | 0.578 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 134.7 | -177.7 | -62.6 | -171.9 | -179.1 | -178.6 | 0 | 111 | T160 Q161 V166 | T160-K164 WeakPolarHBondContact CA-O 3.26Å; Q161-K164 PolarHBondContact N-O 2.83Å; Q161-K164 PolarHBondContact O-N 2.95Å; K164-V166 PolarHBondContact O-N 3.17Å |
| 165 | F | 77.2 | Confident | 87.1 | Confident | 163 Ų | 163 | 76.8 Ų | 76.8 | 72% | 0.715 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 115.1 | 164 | -80 | -90 | 0 | 0 | 0 | 108 | T160 | T160-F165 HydrophobicContact CG2-CD1 3.7Å; T160-F165 HydrophobicContact CG2-CE1 3.57Å; T160-F165 HydrophobicContact CG2-CE2 4.49Å; T160-F165 HydrophobicContact CG2-CG 4.23Å; T160-F165 HydrophobicContact CG2-CZ 4Å |
| 166 | V | 81.1 | Confident | 86.9 | Confident | 69 Ų | 69 | 74.7 Ų | 74.7 | 42% | 0.418 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -45.9 | -176.2 | 176.2 | 0 | 0 | 0 | 0 | 110.2 | Q159 Q161 K164 | Q159-V166 PolarHBondContact O-N 2.77Å; Q159-V166 VanDerWaalsContact O-N 3.08Å; Q161-V166 HydrophobicContact CB-CG2 3.37Å; K164-V166 PolarHBondContact O-N 3.17Å |
| 167 | N | 85.5 | Confident | 86.5 | Confident | 36 Ų | 36 | 76.8 Ų | 76.8 | 19% | 0.193 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.7 | 137.6 | -174.6 | -160.1 | -59.5 | 0 | 0 | 0 | 111.4 | Q159 Q169 N187 | Q159-N167 HydrophobicContact CB-CB 4.28Å; Q159-N167 PolarHBondContact N-O 2.64Å; Q159-N167 PolarHBondContact O-N 3.13Å; Q159-N167 VanDerWaalsContact O-N 3.11Å; N167-Q169 WeakPolarHBondContact OD1-CG 3.28Å; N167-Q169 PolarHBondContact OD1-NE2 3.48Å; N167-N187 WeakPolarHBondContact CA-OD1 3.37Å; N167-N187 PolarHBondContact ND2-ND2 3.18Å; N167-N187 VanDerWaalsContact ND2-ND2 3.14Å; N167-N187 PolarHBondContact OD1-OD1 2.84Å; N167-N187 VanDerWaalsContact OD1-OD1 3.08Å |
| 168 | W | 87.5 | Confident | 86.4 | Confident | 103 Ų | 103 | 78.2 Ų | 78.2 | 39% | 0.39 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 135.8 | 165.2 | 69.7 | -78.3 | 0 | 0 | 0 | 109.2 | A157 M158 C170 N187 P188 | A157-W168 CarbonylContact O-C 3.54Å; A157-W168 VanDerWaalsContact O-CA 3.29Å; A157-W168 WeakPolarHBondContact O-CA 3.31Å; M158-W168 HydrophobicContact CG-CB 4.41Å; W168-C170 VanDerWaalsContact CZ3-SG 3.56Å; W168-N187 PolarHBondContact N-OD1 2.8Å; W168-N187 PolarHBondContact O-N 3.15Å; W168-N187 PolarHBondContact O-OD1 2.79Å; W168-P188 HydrophobicContact CH2-CG 3.4Å; W168-P188 HydrophobicContact CZ2-CB 4.39Å; W168-P188 VanDerWaalsContact CZ2-CD 3.49Å; W168-P188 HydrophobicContact CZ2-CG 3.3Å; W168-P188 WeakPolarHBondContact CZ2-O 3.22Å; W168-P188 HydrophobicContact CZ3-CG 4.13Å |
| 169 | Q | 90.9 | Very high | 86.2 | Confident | 73 Ų | 73 | 76.5 Ų | 76.5 | 34% | 0.341 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 134.4 | -175.5 | -54 | 178.7 | 36.2 | 0 | 0 | 109 | I156 A157 N167 L185 | I156-Q169 CarbonylContact C-O 3.59Å; I156-Q169 WeakPolarHBondContact CA-O 3.21Å; A157-Q169 HydrophobicContact CB-CB 4.5Å; A157-Q169 PolarHBondContact N-O 3.23Å; A157-Q169 PolarHBondContact O-N 2.8Å; N167-Q169 WeakPolarHBondContact OD1-CG 3.28Å; N167-Q169 PolarHBondContact OD1-NE2 3.48Å; Q169-L185 CarbonylContact C-O 3.59Å; Q169-L185 VanDerWaalsContact CA-O 3.23Å; Q169-L185 WeakPolarHBondContact CA-O 3.3Å |
| 170 | C | 92.2 | Very high | 86.3 | Confident | 16 Ų | 16 | 72.4 Ų | 72.4 | 11% | 0.108 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 113.4 | 173.2 | -71.2 | 0 | 0 | 0 | 0 | 108.7 | W168 F172 T184 L185 | W168-C170 VanDerWaalsContact CZ3-SG 3.56Å; C170-F172 HydrophobicContact CB-CE2 3.97Å; C170-F172 HydrophobicContact CB-CZ 4.49Å; C170-T184 WeakPolarHBondContact O-CA 3.32Å; C170-L185 HydrophobicContact CB-CB 4.48Å; C170-L185 PolarHBondContact N-O 2.79Å; C170-L185 PolarHBondContact O-N 3.38Å |
| 171 | D | 91.6 | Very high | 86.6 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 9% | 0.091 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 132.2 | 175.3 | -55.5 | -44.6 | 0 | 0 | 0 | 109.2 | S154 K155 V183 T184 | S154-D171 CarbonylContact C-O 3.58Å; S154-D171 VanDerWaalsContact CA-O 3.27Å; S154-D171 WeakPolarHBondContact CA-O 3.4Å; S154-D171 PolarHBondContact OG-O 2.86Å; K155-D171 HydrophobicContact CB-CB 4.07Å; K155-D171 WeakPolarHBondContact CD-OD2 3.42Å; K155-D171 VanDerWaalsContact CE-OD2 3.3Å; K155-D171 WeakPolarHBondContact CE-OD2 3.34Å; K155-D171 PolarHBondContact N-O 3.08Å; K155-D171 IonicContact NZ-OD2 2.89Å; K155-D171 PolarHBondContact O-N 2.82Å; D171-V183 CarbonylContact C-O 3.46Å; D171-V183 WeakPolarHBondContact CA-O 3.43Å; D171-T184 WeakPolarHBondContact OD1-CB 3.28Å; D171-T184 WeakPolarHBondContact OD1-CG2 3.32Å; D171-T184 PolarHBondContact OD1-OG1 3.28Å |
| 172 | F | 91.9 | Very high | 87 | Confident | 99 Ų | 99 | 68.5 Ų | 68.5 | 43% | 0.434 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 117.6 | 171.5 | -63.3 | -82.3 | 0 | 0 | 0 | 108.6 | C170 A182 V183 L185 | C170-F172 HydrophobicContact CB-CE2 3.97Å; C170-F172 HydrophobicContact CB-CZ 4.49Å; F172-A182 CarbonylContact O-C 3.6Å; F172-A182 WeakPolarHBondContact O-CA 3.24Å; F172-V183 PolarHBondContact N-O 2.95Å; F172-V183 PolarHBondContact O-N 3.23Å; F172-L185 HydrophobicContact CE2-CD1 4.48Å |
| 173 | E | 91.3 | Very high | 87.6 | Confident | 28 Ų | 28 | 66 Ų | 66 | 13% | 0.131 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 128.3 | -176.2 | -174.9 | -174.1 | 123.3 | 0 | 0 | 109.6 | T62 V152 R153 R175 T180 S181 A182 | T62-E173 VanDerWaalsContact CG2-CD 3.44Å; T62-E173 WeakPolarHBondContact CG2-OE1 3.35Å; T62-E173 VanDerWaalsContact CG2-OE2 3.32Å; T62-E173 WeakPolarHBondContact CG2-OE2 3.27Å; V152-E173 WeakPolarHBondContact CA-O 3.43Å; R153-E173 HydrophobicContact CB-CB 4.29Å; R153-E173 PolarHBondContact N-O 3.44Å; R153-E173 PolarHBondContact O-N 2.8Å; E173-R175 IonicContact OE1-CZ 2.73Å; E173-R175 IonicContact OE1-NE 3.15Å; E173-R175 PolarHBondContact OE1-NE 3.26Å; E173-R175 IonicContact OE1-NH2 3.23Å; E173-R175 PolarHBondContact OE1-NH2 3.23Å; E173-T180 HydrophobicContact CG-CG2 4.18Å; E173-S181 CarbonylContact C-O 3.59Å; E173-S181 WeakPolarHBondContact CA-O 3.5Å; E173-A182 HydrophobicContact CB-CB 4.33Å; E173-A182 HydrophobicContact CG-CB 4.31Å |
| 174 | Y | 90.6 | Very high | 88.5 | Confident | 108 Ų | 108 | 59.8 Ų | 59.8 | 42% | 0.424 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.5 | 116.2 | 175.8 | -178.3 | -89.7 | 0 | 0 | 0 | 109.2 | A151 V152 F179 T180 S181 | A151-Y174 HydrophobicContact CB-CE2 4.18Å; V152-Y174 HydrophobicContact CG2-CD2 3.81Å; V152-Y174 HydrophobicContact CG2-CE2 4.3Å; Y174-F179 AromaticContact CD1-CE2 3.62Å; Y174-F179 HydrophobicContact CD1-CE2 3.62Å; Y174-F179 AromaticContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CE1-CE1 4.41Å; Y174-F179 AromaticContact CE1-CE2 3.68Å; Y174-F179 HydrophobicContact CE1-CE2 3.68Å; Y174-F179 AromaticContact CE1-CZ 3.45Å; Y174-F179 HydrophobicContact CE1-CZ 3.45Å; Y174-F179 VanDerWaalsContact CE1-CZ 3.45Å; Y174-T180 WeakPolarHBondContact O-CA 3.41Å; Y174-S181 PolarHBondContact N-O 3.37Å; Y174-S181 PolarHBondContact O-N 3.32Å |
| 175 | R | 88.1 | Confident | 89.1 | Confident | 63 Ų | 63 | 56.2 Ų | 56.2 | 24% | 0.238 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 105.6 | 176.2 | -69.1 | -174 | -172.6 | -172.8 | -4.4 | 109.8 | T62 A151 R153 E173 T180 | T62-R175 VanDerWaalsContact CG2-NH2 3.3Å; A151-R175 WeakPolarHBondContact CB-O 3.33Å; A151-R175 PolarHBondContact O-N 3.03Å; R153-R175 VanDerWaalsContact NH1-NH2 3.15Å; E173-R175 IonicContact OE1-CZ 2.73Å; E173-R175 IonicContact OE1-NE 3.15Å; E173-R175 PolarHBondContact OE1-NE 3.26Å; E173-R175 IonicContact OE1-NH2 3.23Å; E173-R175 PolarHBondContact OE1-NH2 3.23Å; R175-T180 HydrophobicContact CG-CG2 4.34Å |
| 176 | G | 86.4 | Confident | 89.7 | Confident | 9 Ų | 9 | 48.8 Ų | 48.8 | 9% | 0.093 | 25% | 0.251 | C | S | . | . | trans | -81.5 | -178.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N59 F179 | N59-G176 PolarHBondContact ND2-O 3.29Å; G176-F179 CarbonylContact C-O 3.45Å; G176-F179 VanDerWaalsContact CA-O 3.26Å; G176-F179 WeakPolarHBondContact CA-O 3.21Å; G176-F179 PolarHBondContact N-O 2.84Å | ||
| 177 | P | 84.7 | Confident | 90.1 | Very high | 99 Ų | 99 | 47.9 Ų | 47.9 | 64% | 0.643 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -67.9 | -43.5 | 175.1 | 25.3 | -30.3 | 0 | 0 | 0 | 112.3 | N59 | N59-P177 WeakPolarHBondContact CA-O 3.48Å; N59-P177 PolarHBondContact N-O 2.79Å |
| 178 | D | 88.3 | Confident | 90 | Very high | 51 Ų | 51 | 48.2 Ų | 48.2 | 27% | 0.273 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -117.4 | -11.7 | -172.8 | 60.8 | -27.9 | 0 | 0 | 0 | 113.7 | L57 S204 | L57-D178 HydrophobicContact CB-CB 4.25Å; D178-S204 WeakPolarHBondContact O-CB 3.34Å; D178-S204 PolarHBondContact O-N 2.84Å |
| 179 | F | 88.5 | Confident | 89.8 | Confident | 53 Ų | 53 | 46.2 Ų | 46.2 | 23% | 0.232 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 157.8 | 178 | 75.6 | -87.7 | 0 | 0 | 0 | 113 | Y174 G176 Y201 L202 Q203 | Y174-F179 AromaticContact CD1-CE2 3.62Å; Y174-F179 HydrophobicContact CD1-CE2 3.62Å; Y174-F179 AromaticContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CD1-CZ 3.92Å; Y174-F179 HydrophobicContact CE1-CE1 4.41Å; Y174-F179 AromaticContact CE1-CE2 3.68Å; Y174-F179 HydrophobicContact CE1-CE2 3.68Å; Y174-F179 AromaticContact CE1-CZ 3.45Å; Y174-F179 HydrophobicContact CE1-CZ 3.45Å; Y174-F179 VanDerWaalsContact CE1-CZ 3.45Å; G176-F179 CarbonylContact C-O 3.45Å; G176-F179 VanDerWaalsContact CA-O 3.26Å; G176-F179 WeakPolarHBondContact CA-O 3.21Å; G176-F179 PolarHBondContact N-O 2.84Å; F179-Y201 HydrophobicContact CB-CE2 4.21Å; F179-Y201 HydrophobicContact CD2-CD2 4.49Å; F179-Y201 AromaticContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CE2-CE2 4.43Å; F179-Y201 HydrophobicContact CG-CE2 4.19Å; F179-L202 CarbonylContact C-O 3.59Å; F179-L202 WeakPolarHBondContact CA-O 3.29Å; F179-L202 WeakPolarHBondContact CB-O 3.28Å; F179-Q203 HydrophobicContact CB-CB 4.37Å; F179-Q203 HydrophobicContact CB-CG 4.43Å |
| 180 | T | 91.3 | Very high | 89.2 | Confident | 5 Ų | 5 | 49.4 Ų | 49.4 | 3% | 0.031 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.1 | 128.9 | 171 | -63 | 0 | 0 | 0 | 0 | 108.7 | N59 G61 E173 Y174 R175 L202 | N59-T180 PolarHBondContact ND2-OG1 2.92Å; N59-T180 PolarHBondContact OD1-OG1 3.46Å; G61-T180 VanDerWaalsContact O-CB 3.3Å; G61-T180 WeakPolarHBondContact O-CB 3.23Å; G61-T180 WeakPolarHBondContact O-CG2 3.14Å; G61-T180 PolarHBondContact O-OG1 2.81Å; G61-T180 VanDerWaalsContact O-OG1 3.12Å; E173-T180 HydrophobicContact CG-CG2 4.18Å; Y174-T180 WeakPolarHBondContact O-CA 3.41Å; R175-T180 HydrophobicContact CG-CG2 4.34Å; T180-L202 PolarHBondContact N-O 2.85Å; T180-L202 PolarHBondContact O-N 2.78Å |
| 181 | S | 92.6 | Very high | 88.5 | Confident | 36 Ų | 36 | 56.8 Ų | 56.8 | 25% | 0.252 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.5 | 140.5 | 172.2 | -174.5 | 0 | 0 | 0 | 0 | 109.8 | E173 Y174 H200 | E173-S181 CarbonylContact C-O 3.59Å; E173-S181 WeakPolarHBondContact CA-O 3.5Å; Y174-S181 PolarHBondContact N-O 3.37Å; Y174-S181 PolarHBondContact O-N 3.32Å; S181-H200 CarbonylContact C-O 3.51Å; S181-H200 VanDerWaalsContact CA-O 3.27Å; S181-H200 WeakPolarHBondContact CA-O 3.4Å; S181-H200 PolarHBondContact OG-O 2.89Å; S181-H200 VanDerWaalsContact OG-O 3.08Å |
| 182 | A | 93 | Very high | 88 | Confident | 16 Ų | 16 | 59.7 Ų | 59.7 | 13% | 0.132 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.4 | 143 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | F172 E173 H200 | F172-A182 CarbonylContact O-C 3.6Å; F172-A182 WeakPolarHBondContact O-CA 3.24Å; E173-A182 HydrophobicContact CB-CB 4.33Å; E173-A182 HydrophobicContact CG-CB 4.31Å; A182-H200 HydrophobicContact CB-CB 4.29Å; A182-H200 PolarHBondContact N-O 2.79Å; A182-H200 PolarHBondContact O-N 2.8Å |
| 183 | V | 94.2 | Very high | 87.4 | Confident | 59 Ų | 59 | 56.7 Ų | 56.7 | 36% | 0.358 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 120.9 | 174.4 | -179.7 | 0 | 0 | 0 | 0 | 108.2 | D171 F172 V197 V198 | D171-V183 CarbonylContact C-O 3.46Å; D171-V183 WeakPolarHBondContact CA-O 3.43Å; F172-V183 PolarHBondContact N-O 2.95Å; F172-V183 PolarHBondContact O-N 3.23Å; V183-V197 HydrophobicContact CG1-CG1 4.4Å; V183-V198 CarbonylContact C-O 3.5Å; V183-V198 WeakPolarHBondContact CA-O 3.36Å |
| 184 | T | 92.7 | Very high | 87 | Confident | 20 Ų | 20 | 56.8 Ų | 56.8 | 12% | 0.123 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 124.3 | 178 | -64.6 | 0 | 0 | 0 | 0 | 109.5 | C170 D171 V197 V198 | C170-T184 WeakPolarHBondContact O-CA 3.32Å; D171-T184 WeakPolarHBondContact OD1-CB 3.28Å; D171-T184 WeakPolarHBondContact OD1-CG2 3.32Å; D171-T184 PolarHBondContact OD1-OG1 3.28Å; T184-V197 CarbonylContact O-C 3.44Å; T184-V197 WeakPolarHBondContact O-CA 3.25Å; T184-V198 PolarHBondContact N-O 2.76Å; T184-V198 PolarHBondContact O-N 2.82Å |
| 185 | L | 92.1 | Very high | 86.8 | Confident | 57 Ų | 57 | 52.3 Ų | 52.3 | 30% | 0.298 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 111.2 | 173.9 | -64.6 | 169.1 | 0 | 0 | 0 | 108.1 | Q169 C170 F172 I196 V197 | Q169-L185 CarbonylContact C-O 3.59Å; Q169-L185 VanDerWaalsContact CA-O 3.23Å; Q169-L185 WeakPolarHBondContact CA-O 3.3Å; C170-L185 HydrophobicContact CB-CB 4.48Å; C170-L185 PolarHBondContact N-O 2.79Å; C170-L185 PolarHBondContact O-N 3.38Å; F172-L185 HydrophobicContact CE2-CD1 4.48Å; L185-I196 CarbonylContact C-O 3.52Å; L185-V197 HydrophobicContact CD2-CB 4.25Å; L185-V197 HydrophobicContact CD2-CG1 3.9Å; L185-V197 HydrophobicContact CD2-CG2 3.73Å |
| 186 | G | 90.2 | Very high | 86.9 | Confident | 7 Ų | 7 | 52.1 Ų | 52.1 | 7% | 0.072 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 125.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | I196 | G186-I196 PolarHBondContact N-O 2.8Å; G186-I196 PolarHBondContact O-N 2.78Å |
| 187 | N | 87.9 | Confident | 87.2 | Confident | 51 Ų | 51 | 54.3 Ų | 54.3 | 27% | 0.273 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.7 | 47.8 | 176.4 | -56.3 | -24.3 | 0 | 0 | 0 | 115.2 | N167 W168 D189 | N167-N187 WeakPolarHBondContact CA-OD1 3.37Å; N167-N187 PolarHBondContact ND2-ND2 3.18Å; N167-N187 VanDerWaalsContact ND2-ND2 3.14Å; N167-N187 PolarHBondContact OD1-OD1 2.84Å; N167-N187 VanDerWaalsContact OD1-OD1 3.08Å; W168-N187 PolarHBondContact N-OD1 2.8Å; W168-N187 PolarHBondContact O-N 3.15Å; W168-N187 PolarHBondContact O-OD1 2.79Å; N187-D189 PolarHBondContact O-N 2.9Å |
| 188 | P | 83.8 | Confident | 87.6 | Confident | 42 Ų | 42 | 50.5 Ų | 50.5 | 27% | 0.273 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 116.7 | 175.4 | 28.7 | -29.8 | 0 | 0 | 0 | 109.7 | W168 S194 | W168-P188 HydrophobicContact CH2-CG 3.4Å; W168-P188 HydrophobicContact CZ2-CB 4.39Å; W168-P188 VanDerWaalsContact CZ2-CD 3.49Å; W168-P188 HydrophobicContact CZ2-CG 3.3Å; W168-P188 WeakPolarHBondContact CZ2-O 3.22Å; W168-P188 HydrophobicContact CZ3-CG 4.13Å; P188-S194 WeakPolarHBondContact CA-O 3.47Å |
| 189 | D | 83 | Confident | 87.9 | Confident | 62 Ų | 62 | 49.3 Ų | 49.3 | 33% | 0.332 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 108.7 | 172.6 | -175 | -14.3 | 0 | 0 | 0 | 108.7 | N187 L191 V192 G193 S194 | N187-D189 PolarHBondContact O-N 2.9Å; D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.31Å; D189-L191 WeakPolarHBondContact OD1-CB 3.4Å; D189-L191 PolarHBondContact OD1-N 2.89Å; D189-V192 HydrophobicContact CB-CB 4.37Å; D189-V192 PolarHBondContact OD1-N 2.75Å; D189-V192 VanDerWaalsContact OD2-CG2 3.26Å; D189-V192 WeakPolarHBondContact OD2-CG2 3.31Å; D189-G193 VanDerWaalsContact O-CA 3.31Å; D189-G193 WeakPolarHBondContact O-CA 3.21Å; D189-G193 PolarHBondContact O-N 2.83Å; D189-S194 PolarHBondContact N-O 2.79Å; D189-S194 PolarHBondContact O-N 2.87Å; D189-S194 VanDerWaalsContact O-N 3.17Å |
| 190 | V | 78.9 | Confident | 88.2 | Confident | 139 Ų | 139 | 47.9 Ų | 47.9 | 84% | 0.842 | 30% | 0.295 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -28.8 | -178.8 | -177.2 | 0 | 0 | 0 | 0 | 111.7 | ||
| 191 | L | 78.1 | Confident | 88.3 | Confident | 171 Ų | 171 | 52.2 Ų | 52.2 | 90% | 0.895 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.1 | -42.2 | -178 | -70.8 | 116.1 | 0 | 0 | 0 | 111.7 | D189 | D189-L191 VanDerWaalsContact C-N 3.3Å; D189-L191 PolarHBondContact O-N 3.31Å; D189-L191 WeakPolarHBondContact OD1-CB 3.4Å; D189-L191 PolarHBondContact OD1-N 2.89Å |
| 192 | V | 80 | Confident | 88.3 | Confident | 78 Ų | 78 | 50.6 Ų | 50.6 | 47% | 0.473 | 30% | 0.3 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -15.6 | -179.9 | -179.5 | 0 | 0 | 0 | 0 | 111.4 | D189 S194 P221 | D189-V192 HydrophobicContact CB-CB 4.37Å; D189-V192 PolarHBondContact OD1-N 2.75Å; D189-V192 VanDerWaalsContact OD2-CG2 3.26Å; D189-V192 WeakPolarHBondContact OD2-CG2 3.31Å; V192-S194 PolarHBondContact O-N 2.81Å; V192-P221 HydrophobicContact CG1-CG 3.33Å |
| 193 | G | 80.3 | Confident | 88.2 | Confident | 36 Ų | 36 | 53.4 Ų | 53.4 | 37% | 0.371 | 31% | 0.311 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.6 | 31.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | D189 R219 | D189-G193 VanDerWaalsContact O-CA 3.31Å; D189-G193 WeakPolarHBondContact O-CA 3.21Å; D189-G193 PolarHBondContact O-N 2.83Å; G193-R219 VanDerWaalsContact O-CD 3.26Å; G193-R219 WeakPolarHBondContact O-CD 3.38Å; G193-R219 WeakPolarHBondContact O-CG 3.32Å; G193-R219 PolarHBondContact O-NE 2.77Å |
| 194 | S | 83.1 | Confident | 88.1 | Confident | 31 Ų | 31 | 50.8 Ų | 50.8 | 22% | 0.217 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 146.4 | -178.4 | 74.9 | 0 | 0 | 0 | 0 | 111.1 | P188 D189 V192 R219 | P188-S194 WeakPolarHBondContact CA-O 3.47Å; D189-S194 PolarHBondContact N-O 2.79Å; D189-S194 PolarHBondContact O-N 2.87Å; D189-S194 VanDerWaalsContact O-N 3.17Å; V192-S194 PolarHBondContact O-N 2.81Å; S194-R219 CarbonylContact C-O 3.53Å; S194-R219 WeakPolarHBondContact CA-O 3.42Å; S194-R219 WeakPolarHBondContact CB-O 3.24Å |
| 195 | G | 86.5 | Confident | 88 | Confident | 14 Ų | 14 | 54.2 Ų | 54.2 | 14% | 0.144 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 171.9 | 166.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | R219 | G195-R219 PolarHBondContact N-O 2.81Å; G195-R219 PolarHBondContact O-N 3.34Å |
| 196 | I | 90.4 | Very high | 87.8 | Confident | 58 Ų | 58 | 54.7 Ų | 54.7 | 30% | 0.297 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 128.8 | 175.1 | -54.7 | 173.5 | 0 | 0 | 0 | 107 | L185 G186 V198 V216 Y217 H218 | L185-I196 CarbonylContact C-O 3.52Å; G186-I196 PolarHBondContact N-O 2.8Å; G186-I196 PolarHBondContact O-N 2.78Å; I196-V198 HydrophobicContact CG2-CG2 3.96Å; I196-V216 HydrophobicContact CG2-CG1 4.19Å; I196-Y217 CarbonylContact C-O 3.52Å; I196-Y217 WeakPolarHBondContact CA-O 3.43Å; I196-H218 HydrophobicContact CG1-CB 4.01Å |
| 197 | V | 92.6 | Very high | 87.6 | Confident | 56 Ų | 56 | 59.6 Ų | 59.6 | 34% | 0.339 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 122.4 | 172 | -173.1 | 0 | 0 | 0 | 0 | 106.8 | V183 T184 L185 Y217 | V183-V197 HydrophobicContact CG1-CG1 4.4Å; T184-V197 CarbonylContact O-C 3.44Å; T184-V197 WeakPolarHBondContact O-CA 3.25Å; L185-V197 HydrophobicContact CD2-CB 4.25Å; L185-V197 HydrophobicContact CD2-CG1 3.9Å; L185-V197 HydrophobicContact CD2-CG2 3.73Å; V197-Y217 PolarHBondContact N-O 2.82Å; V197-Y217 PolarHBondContact O-N 3.28Å |
| 198 | V | 93 | Very high | 87.6 | Confident | 19 Ų | 19 | 58.5 Ų | 58.5 | 12% | 0.115 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 123.3 | 173.7 | -167.9 | 0 | 0 | 0 | 0 | 108.4 | V183 T184 I196 H200 E214 L215 V216 | V183-V198 CarbonylContact C-O 3.5Å; V183-V198 WeakPolarHBondContact CA-O 3.36Å; T184-V198 PolarHBondContact N-O 2.76Å; T184-V198 PolarHBondContact O-N 2.82Å; I196-V198 HydrophobicContact CG2-CG2 3.96Å; V198-H200 VanDerWaalsContact CG1-CE1 3.41Å; V198-H200 WeakPolarHBondContact CG1-CE1 3.09Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.4Å; V198-E214 HydrophobicContact CG1-CG 3.92Å; V198-L215 CarbonylContact C-O 3.5Å; V198-L215 VanDerWaalsContact CA-O 3.32Å; V198-L215 WeakPolarHBondContact CA-O 3.45Å; V198-V216 HydrophobicContact CG1-CG2 3.85Å; V198-V216 HydrophobicContact CG2-CG1 4.25Å; V198-V216 HydrophobicContact CG2-CG2 4.17Å |
| 199 | G | 94.2 | Very high | 87.9 | Confident | 25 Ų | 25 | 59 Ų | 59 | 26% | 0.258 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 127.1 | 172.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | E214 L215 | G199-E214 CarbonylContact O-C 3.55Å; G199-E214 WeakPolarHBondContact O-CA 3.44Å; G199-L215 PolarHBondContact N-O 2.77Å; G199-L215 PolarHBondContact O-N 2.8Å |
| 200 | H | 93.9 | Very high | 88.4 | Confident | 23 Ų | 23 | 56.3 Ų | 56.3 | 11% | 0.106 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 140.8 | 173.5 | -54.3 | -81.4 | 0 | 0 | 0 | 109.9 | Y63 S181 A182 V198 G213 E214 | Y63-H200 AromaticContact CD1-CE1 3.47Å; Y63-H200 VanDerWaalsContact CD1-CE1 3.47Å; Y63-H200 WeakPolarHBondContact CD1-CE1 3.38Å; Y63-H200 AromaticContact CD1-ND1 3.38Å; Y63-H200 WeakPolarHBondContact CD1-ND1 3.37Å; Y63-H200 HydrophobicContact CD2-CB 4.48Å; Y63-H200 AromaticContact CD2-ND1 3.77Å; Y63-H200 AromaticContact CE1-CE1 3.73Å; Y63-H200 AromaticContact CE1-ND1 3.7Å; Y63-H200 HydrophobicContact CG-CB 4.36Å; Y63-H200 AromaticContact CG-CE1 3.96Å; Y63-H200 AromaticContact CG-ND1 3.41Å; S181-H200 CarbonylContact C-O 3.51Å; S181-H200 VanDerWaalsContact CA-O 3.27Å; S181-H200 WeakPolarHBondContact CA-O 3.4Å; S181-H200 PolarHBondContact OG-O 2.89Å; S181-H200 VanDerWaalsContact OG-O 3.08Å; A182-H200 HydrophobicContact CB-CB 4.29Å; A182-H200 PolarHBondContact N-O 2.79Å; A182-H200 PolarHBondContact O-N 2.8Å; V198-H200 VanDerWaalsContact CG1-CE1 3.41Å; V198-H200 WeakPolarHBondContact CG1-CE1 3.09Å; V198-H200 WeakPolarHBondContact CG1-NE2 3.4Å; H200-G213 WeakPolarHBondContact CA-O 3.38Å; H200-E214 IonicContact CE1-OE1 3.76Å; H200-E214 PolarHBondContact CE1-OE1 2.91Å; H200-E214 IonicContact ND1-OE1 3.59Å |
| 201 | Y | 93.6 | Very high | 89.1 | Confident | 97 Ų | 97 | 53.2 Ų | 53.2 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 126.7 | 170.6 | -177.5 | -96 | 0 | 0 | 0 | 108.9 | F179 Q203 G212 G213 | F179-Y201 HydrophobicContact CB-CE2 4.21Å; F179-Y201 HydrophobicContact CD2-CD2 4.49Å; F179-Y201 AromaticContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CD2-CE2 3.74Å; F179-Y201 HydrophobicContact CE2-CE2 4.43Å; F179-Y201 HydrophobicContact CG-CE2 4.19Å; Y201-Q203 HydrophobicContact CE1-CB 3.84Å; Y201-Q203 PolarHBondContact OH-OE1 2.86Å; Y201-G212 CarbonylContact O-C 3.55Å; Y201-G212 WeakPolarHBondContact O-CA 3.41Å; Y201-G213 PolarHBondContact N-O 2.78Å; Y201-G213 PolarHBondContact O-N 2.77Å |
| 202 | L | 92.9 | Very high | 89.9 | Confident | 2 Ų | 2 | 45.8 Ų | 45.8 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 134.8 | 177.4 | -80.6 | 165.6 | 0 | 0 | 0 | 109.3 | P60 Y63 F179 T180 V210 L231 | P60-L202 HydrophobicContact CG-CB 4.18Å; Y63-L202 VanDerWaalsContact CA-CD1 3.49Å; Y63-L202 HydrophobicContact CD2-CD1 4.04Å; Y63-L202 HydrophobicContact CD2-CG 4.32Å; Y63-L202 HydrophobicContact CG-CD1 4.45Å; F179-L202 CarbonylContact C-O 3.59Å; F179-L202 WeakPolarHBondContact CA-O 3.29Å; F179-L202 WeakPolarHBondContact CB-O 3.28Å; T180-L202 PolarHBondContact N-O 2.85Å; T180-L202 PolarHBondContact O-N 2.78Å; L202-V210 HydrophobicContact CB-CG1 4.37Å; L202-V210 HydrophobicContact CD2-CG1 3.83Å; L202-L231 HydrophobicContact CD2-CD2 3.74Å |
| 203 | Q | 91.9 | Very high | 90.5 | Very high | 74 Ų | 74 | 43.1 Ų | 43.1 | 35% | 0.346 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 131.9 | 179.3 | -175.2 | 170.6 | -6.4 | 0 | 0 | 110.1 | F179 Y201 I205 V210 L211 | F179-Q203 HydrophobicContact CB-CB 4.37Å; F179-Q203 HydrophobicContact CB-CG 4.43Å; Y201-Q203 HydrophobicContact CE1-CB 3.84Å; Y201-Q203 PolarHBondContact OH-OE1 2.86Å; Q203-I205 PolarHBondContact O-N 2.8Å; Q203-V210 WeakPolarHBondContact O-CA 3.39Å; Q203-L211 PolarHBondContact N-O 2.79Å; Q203-L211 PolarHBondContact O-N 2.65Å; Q203-L211 VanDerWaalsContact O-O 3.1Å |
| 204 | S | 91.8 | Very high | 91.1 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 3% | 0.028 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 118.8 | 170.8 | -164.1 | 0 | 0 | 0 | 0 | 108.5 | D178 T206 | D178-S204 WeakPolarHBondContact O-CB 3.34Å; D178-S204 PolarHBondContact O-N 2.84Å; S204-T206 PolarHBondContact OG-O 2.71Å |
| 205 | I | 89.7 | Confident | 91.6 | Very high | 92 Ų | 92 | 45.7 Ų | 45.7 | 47% | 0.472 | 26% | 0.264 | S | S | . | . | S | Bend | trans | -95.6 | -39.8 | 178.8 | -60.2 | -178.1 | 0 | 0 | 0 | 109.8 | Q203 L209 L211 | Q203-I205 PolarHBondContact O-N 2.8Å; I205-L209 PolarHBondContact N-O 3.46Å; I205-L211 HydrophobicContact CD1-CB 3.9Å; I205-L211 HydrophobicContact CD1-CD1 3.43Å; I205-L211 VanDerWaalsContact CD1-CD1 3.43Å; I205-L211 HydrophobicContact CD1-CG 3.66Å |
| 206 | T | 88.6 | Confident | 91.8 | Very high | 67 Ų | 67 | 46.6 Ų | 46.6 | 41% | 0.411 | 27% | 0.267 | S | S | . | . | S | Bend | trans | -134.9 | 162.6 | 172.6 | 26.7 | 0 | 0 | 0 | 0 | 108.9 | L57 S204 A208 L209 | L57-T206 VanDerWaalsContact CD2-C 3.49Å; S204-T206 PolarHBondContact OG-O 2.71Å; T206-A208 PolarHBondContact O-N 2.83Å; T206-L209 PolarHBondContact N-O 2.74Å; T206-L209 PolarHBondContact O-N 2.81Å; T206-L209 VanDerWaalsContact O-O 3.08Å; T206-L209 VanDerWaalsContact OG1-CB 3.24Å; T206-L209 WeakPolarHBondContact OG1-CB 3.45Å |
| 207 | P | 85.6 | Confident | 91.9 | Very high | 110 Ų | 110 | 47.1 Ų | 47.1 | 71% | 0.714 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -53.2 | -26.8 | 179.9 | -27.8 | 35.6 | 0 | 0 | 0 | 114.4 | L57 | L57-P207 HydrophobicContact CD2-CG 4.23Š|
| 208 | A | 87.9 | Confident | 91.7 | Very high | 28 Ų | 28 | 46.6 Ų | 46.6 | 23% | 0.231 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -99.6 | -25 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | T206 Y234 T235 | T206-A208 PolarHBondContact O-N 2.83Å; A208-Y234 HydrophobicContact CB-CD2 4.43Å; A208-Y234 HydrophobicContact CB-CE2 3.98Å; A208-Y234 CarbonylContact O-C 3.6Å; A208-Y234 WeakPolarHBondContact O-CA 3.33Å; A208-T235 VanDerWaalsContact CB-O 3.26Å; A208-T235 WeakPolarHBondContact CB-O 3.39Å; A208-T235 PolarHBondContact O-N 2.8Å |
| 209 | L | 90 | Very high | 91.4 | Very high | 54 Ų | 54 | 50.8 Ų | 50.8 | 28% | 0.283 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 124.3 | -171.4 | -173.9 | 71.8 | 0 | 0 | 0 | 111.8 | I205 T206 L211 R233 Y234 | I205-L209 PolarHBondContact N-O 3.46Å; T206-L209 PolarHBondContact N-O 2.74Å; T206-L209 PolarHBondContact O-N 2.81Å; T206-L209 VanDerWaalsContact O-O 3.08Å; T206-L209 VanDerWaalsContact OG1-CB 3.24Å; T206-L209 WeakPolarHBondContact OG1-CB 3.45Å; L209-L211 HydrophobicContact CD1-CD2 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.36Å; L209-L211 HydrophobicContact CG-CG 4.45Å; L209-R233 WeakPolarHBondContact CA-O 3.39Å; L209-Y234 HydrophobicContact CB-CD2 4.4Å; L209-Y234 HydrophobicContact CD1-CD2 4.07Å |
| 210 | V | 93.4 | Very high | 90.8 | Very high | 4 Ų | 4 | 56.8 Ų | 56.8 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 130 | 174.1 | 177.1 | 0 | 0 | 0 | 0 | 108.3 | P60 L202 Q203 G232 R233 | P60-V210 HydrophobicContact CB-CB 4.17Å; P60-V210 HydrophobicContact CB-CG1 3.41Å; P60-V210 VanDerWaalsContact CB-CG1 3.41Å; P60-V210 HydrophobicContact CB-CG2 3.64Å; P60-V210 HydrophobicContact CG-CG1 4.29Å; L202-V210 HydrophobicContact CB-CG1 4.37Å; L202-V210 HydrophobicContact CD2-CG1 3.83Å; Q203-V210 WeakPolarHBondContact O-CA 3.39Å; V210-G232 CarbonylContact O-C 3.53Å; V210-G232 WeakPolarHBondContact O-CA 3.24Å; V210-R233 HydrophobicContact CB-CB 4.28Å; V210-R233 PolarHBondContact N-O 2.85Å; V210-R233 PolarHBondContact O-N 2.81Å |
| 211 | L | 94.2 | Very high | 90.1 | Very high | 75 Ų | 75 | 60.3 Ų | 60.3 | 39% | 0.393 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 152.3 | 171.2 | -61.1 | -173.9 | 0 | 0 | 0 | 109.8 | Q203 I205 L209 L231 | Q203-L211 PolarHBondContact N-O 2.79Å; Q203-L211 PolarHBondContact O-N 2.65Å; Q203-L211 VanDerWaalsContact O-O 3.1Å; I205-L211 HydrophobicContact CD1-CB 3.9Å; I205-L211 HydrophobicContact CD1-CD1 3.43Å; I205-L211 VanDerWaalsContact CD1-CD1 3.43Å; I205-L211 HydrophobicContact CD1-CG 3.66Å; L209-L211 HydrophobicContact CD1-CD2 4.27Å; L209-L211 HydrophobicContact CG-CD2 4.36Å; L209-L211 HydrophobicContact CG-CG 4.45Å; L211-L231 CarbonylContact C-O 3.53Å; L211-L231 WeakPolarHBondContact CA-O 3.47Å |
| 212 | G | 93.8 | Very high | 89.3 | Confident | 14 Ų | 14 | 60 Ų | 60 | 14% | 0.144 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -162.3 | 177.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113 | Y201 L231 | Y201-G212 CarbonylContact O-C 3.55Å; Y201-G212 WeakPolarHBondContact O-CA 3.41Å; G212-L231 PolarHBondContact N-O 2.78Å; G212-L231 PolarHBondContact O-N 3.16Å |
| 213 | G | 92.8 | Very high | 88.8 | Confident | 22 Ų | 22 | 65.6 Ų | 65.6 | 23% | 0.227 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.7 | 151.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | H200 Y201 S229 | H200-G213 WeakPolarHBondContact CA-O 3.38Å; Y201-G213 PolarHBondContact N-O 2.78Å; Y201-G213 PolarHBondContact O-N 2.77Å; G213-S229 CarbonylContact C-O 3.55Å; G213-S229 VanDerWaalsContact CA-O 3.28Å; G213-S229 WeakPolarHBondContact CA-O 3.44Å |
| 214 | E | 93.5 | Very high | 88.6 | Confident | 39 Ų | 39 | 67.7 Ų | 67.7 | 18% | 0.182 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 133.4 | 169.6 | 168.9 | -177.3 | -147 | 0 | 0 | 108.3 | Y63 V198 G199 H200 V216 T228 S229 | Y63-E214 HydrophobicContact CE1-CB 4.27Å; Y63-E214 HydrophobicContact CE1-CG 4.48Å; Y63-E214 WeakPolarHBondContact CE1-OE2 3.44Å; Y63-E214 HydrophobicContact CE2-CB 3.92Å; Y63-E214 WeakPolarHBondContact OH-CB 3.31Å; Y63-E214 PolarHBondContact OH-OE2 3.21Å; V198-E214 HydrophobicContact CG1-CG 3.92Å; G199-E214 CarbonylContact O-C 3.55Å; G199-E214 WeakPolarHBondContact O-CA 3.44Å; H200-E214 IonicContact CE1-OE1 3.76Å; H200-E214 PolarHBondContact CE1-OE1 2.91Å; H200-E214 IonicContact ND1-OE1 3.59Å; E214-V216 HydrophobicContact CG-CG2 3.95Å; E214-T228 CarbonylContact O-C 3.51Å; E214-T228 WeakPolarHBondContact O-CA 3.44Å; E214-S229 PolarHBondContact N-O 2.57Å; E214-S229 PolarHBondContact O-N 2.83Å |
| 215 | L | 92.6 | Very high | 88.3 | Confident | 83 Ų | 83 | 68.3 Ų | 68.3 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 111.2 | 174.5 | -177 | 69.3 | 0 | 0 | 0 | 108.2 | V198 G199 T226 T228 | V198-L215 CarbonylContact C-O 3.5Å; V198-L215 VanDerWaalsContact CA-O 3.32Å; V198-L215 WeakPolarHBondContact CA-O 3.45Å; G199-L215 PolarHBondContact N-O 2.77Å; G199-L215 PolarHBondContact O-N 2.8Å; L215-T226 HydrophobicContact CD1-CG2 3.43Å; L215-T226 VanDerWaalsContact CD1-CG2 3.43Å; L215-T226 HydrophobicContact CG-CG2 4.41Å; L215-T228 WeakPolarHBondContact CD1-OG1 3.42Å |
| 216 | V | 92.4 | Very high | 88.2 | Confident | 33 Ų | 33 | 68 Ų | 68 | 20% | 0.2 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.7 | 109.6 | 174 | -178.8 | 0 | 0 | 0 | 0 | 108.2 | I196 V198 E214 T226 V227 | I196-V216 HydrophobicContact CG2-CG1 4.19Å; V198-V216 HydrophobicContact CG1-CG2 3.85Å; V198-V216 HydrophobicContact CG2-CG1 4.25Å; V198-V216 HydrophobicContact CG2-CG2 4.17Å; E214-V216 HydrophobicContact CG-CG2 3.95Å; V216-T226 WeakPolarHBondContact O-CA 2.96Å; V216-V227 HydrophobicContact CB-CB 4.42Å; V216-V227 PolarHBondContact N-O 3.36Å; V216-V227 PolarHBondContact O-N 2.82Å |
| 217 | Y | 90.6 | Very high | 88.2 | Confident | 69 Ų | 69 | 66.8 Ų | 66.8 | 27% | 0.271 | 38% | 0.377 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 119.4 | 169.2 | -179.1 | -106.7 | 0 | 0 | 0 | 108.8 | I196 V197 R219 E224 T226 | I196-Y217 CarbonylContact C-O 3.52Å; I196-Y217 WeakPolarHBondContact CA-O 3.43Å; V197-Y217 PolarHBondContact N-O 2.82Å; V197-Y217 PolarHBondContact O-N 3.28Å; Y217-R219 HydrophobicContact CE1-CB 3.84Å; Y217-R219 PolarHBondContact OH-NH1 2.85Å; Y217-E224 PolarHBondContact OH-OE2 2.68Å; Y217-E224 VanDerWaalsContact OH-OE2 3.09Å; Y217-T226 WeakPolarHBondContact CD2-OG1 3.18Å |
| 218 | H | 89.9 | Confident | 88.5 | Confident | 44 Ų | 44 | 65.3 Ų | 65.3 | 20% | 0.204 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 132.1 | 170.8 | 65.8 | -82 | 0 | 0 | 0 | 110 | I196 G225 | I196-H218 HydrophobicContact CG1-CB 4.01Å; H218-G225 VanDerWaalsContact CE1-CA 3.42Å; H218-G225 WeakPolarHBondContact CE1-CA 3.48Å; H218-G225 PolarHBondContact N-O 2.8Å; H218-G225 PolarHBondContact ND1-O 2.8Å; H218-G225 VanDerWaalsContact ND1-O 3.1Å; H218-G225 PolarHBondContact O-N 2.83Å |
| 219 | R | 85.2 | Confident | 88.7 | Confident | 107 Ų | 107 | 64.7 Ų | 64.7 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 122.2 | 178.4 | -173.2 | 179 | -179.5 | 93.4 | 11.1 | 108.4 | G193 S194 G195 Y217 E224 | G193-R219 VanDerWaalsContact O-CD 3.26Å; G193-R219 WeakPolarHBondContact O-CD 3.38Å; G193-R219 WeakPolarHBondContact O-CG 3.32Å; G193-R219 PolarHBondContact O-NE 2.77Å; S194-R219 CarbonylContact C-O 3.53Å; S194-R219 WeakPolarHBondContact CA-O 3.42Å; S194-R219 WeakPolarHBondContact CB-O 3.24Å; G195-R219 PolarHBondContact N-O 2.81Å; G195-R219 PolarHBondContact O-N 3.34Å; Y217-R219 HydrophobicContact CE1-CB 3.84Å; Y217-R219 PolarHBondContact OH-NH1 2.85Å; R219-E224 HydrophobicContact CG-CG 4.38Å; R219-E224 IonicContact CZ-OE1 2.68Å; R219-E224 VanDerWaalsContact CZ-OE1 3.23Å; R219-E224 VanDerWaalsContact NH1-CD 3.28Å; R219-E224 IonicContact NH1-OE1 3.33Å; R219-E224 PolarHBondContact NH1-OE1 2.8Å; R219-E224 IonicContact NH1-OE2 2.78Å; R219-E224 IonicContact NH2-OE1 3.87Å; R219-E224 PolarHBondContact NH2-OE1 3.15Å |
| 220 | R | 83.4 | Confident | 88.9 | Confident | 151 Ų | 151 | 67.7 Ų | 67.7 | 57% | 0.57 | 38% | 0.375 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 155 | 169.3 | -68.9 | -178.6 | -178.6 | 169.7 | 1.3 | 108.7 | G222 E223 | R220-G222 PolarHBondContact O-N 3.47Å; R220-E223 PolarHBondContact N-O 3.33Å; R220-E223 CarbonylContact O-C 3.58Å; R220-E223 PolarHBondContact O-N 3.31Å |
| 221 | P | 79.3 | Confident | 89 | Confident | 97 Ų | 97 | 67.7 Ų | 67.7 | 63% | 0.63 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 111.5 | 175.9 | -24.1 | 34.1 | 0 | 0 | 0 | 110.5 | V192 | V192-P221 HydrophobicContact CG1-CG 3.33Š|
| 222 | G | 76.6 | Confident | 89 | Confident | 92 Ų | 92 | 65 Ų | 65 | 95% | 0.948 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.6 | -4.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 116.4 | R220 | R220-G222 PolarHBondContact O-N 3.47Š|
| 223 | E | 82.2 | Confident | 89 | Confident | 118 Ų | 118 | 66.3 Ų | 66.3 | 55% | 0.551 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 120.3 | 177.7 | -168.6 | 177.9 | -173.7 | 0 | 0 | 110.7 | R220 | R220-E223 PolarHBondContact N-O 3.33Å; R220-E223 CarbonylContact O-C 3.58Å; R220-E223 PolarHBondContact O-N 3.31Å |
| 224 | E | 86.5 | Confident | 89 | Confident | 119 Ų | 119 | 70.6 Ų | 70.6 | 56% | 0.556 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 126.5 | 170.9 | -62.9 | -168 | -164.1 | 0 | 0 | 108.6 | Y217 R219 | Y217-E224 PolarHBondContact OH-OE2 2.68Å; Y217-E224 VanDerWaalsContact OH-OE2 3.09Å; R219-E224 HydrophobicContact CG-CG 4.38Å; R219-E224 IonicContact CZ-OE1 2.68Å; R219-E224 VanDerWaalsContact CZ-OE1 3.23Å; R219-E224 VanDerWaalsContact NH1-CD 3.28Å; R219-E224 IonicContact NH1-OE1 3.33Å; R219-E224 PolarHBondContact NH1-OE1 2.8Å; R219-E224 IonicContact NH1-OE2 2.78Å; R219-E224 IonicContact NH2-OE1 3.87Å; R219-E224 PolarHBondContact NH2-OE1 3.15Å |
| 225 | G | 85.3 | Confident | 88.9 | Confident | 16 Ų | 16 | 70.7 Ų | 70.7 | 17% | 0.165 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 130.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | H218 | H218-G225 VanDerWaalsContact CE1-CA 3.42Å; H218-G225 WeakPolarHBondContact CE1-CA 3.48Å; H218-G225 PolarHBondContact N-O 2.8Å; H218-G225 PolarHBondContact ND1-O 2.8Å; H218-G225 VanDerWaalsContact ND1-O 3.1Å; H218-G225 PolarHBondContact O-N 2.83Å |
| 226 | T | 88.6 | Confident | 88.8 | Confident | 87 Ų | 87 | 67.6 Ų | 67.6 | 53% | 0.534 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 124.7 | 171.5 | -55.3 | 0 | 0 | 0 | 0 | 108.1 | L215 V216 Y217 | L215-T226 HydrophobicContact CD1-CG2 3.43Å; L215-T226 VanDerWaalsContact CD1-CG2 3.43Å; L215-T226 HydrophobicContact CG-CG2 4.41Å; V216-T226 WeakPolarHBondContact O-CA 2.96Å; Y217-T226 WeakPolarHBondContact CD2-OG1 3.18Å |
| 227 | V | 89.1 | Confident | 88.6 | Confident | 40 Ų | 40 | 73.9 Ų | 73.9 | 24% | 0.242 | 40% | 0.4 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 126.2 | 173 | -176.1 | 0 | 0 | 0 | 0 | 107.6 | V216 | V216-V227 HydrophobicContact CB-CB 4.42Å; V216-V227 PolarHBondContact N-O 3.36Å; V216-V227 PolarHBondContact O-N 2.82Å |
| 228 | T | 91.8 | Very high | 88.6 | Confident | 80 Ų | 80 | 75.3 Ų | 75.3 | 49% | 0.491 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 137.2 | 174 | -48.8 | 0 | 0 | 0 | 0 | 108.8 | E214 L215 G246 G247 | E214-T228 CarbonylContact O-C 3.51Å; E214-T228 WeakPolarHBondContact O-CA 3.44Å; L215-T228 WeakPolarHBondContact CD1-OG1 3.42Å; T228-G246 VanDerWaalsContact O-CA 3.27Å; T228-G246 WeakPolarHBondContact O-CA 3.47Å; T228-G247 PolarHBondContact O-N 3Å; T228-G247 VanDerWaalsContact O-N 3.17Å |
| 229 | S | 92.1 | Very high | 88.7 | Confident | 14 Ų | 14 | 76.3 Ų | 76.3 | 10% | 0.098 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.8 | 143.7 | 174.6 | -52 | 0 | 0 | 0 | 0 | 109.3 | G213 E214 L245 | G213-S229 CarbonylContact C-O 3.55Å; G213-S229 VanDerWaalsContact CA-O 3.28Å; G213-S229 WeakPolarHBondContact CA-O 3.44Å; E214-S229 PolarHBondContact N-O 2.57Å; E214-S229 PolarHBondContact O-N 2.83Å; S229-L245 CarbonylContact C-O 3.5Å; S229-L245 WeakPolarHBondContact CA-O 3.46Å |
| 230 | L | 94.4 | Very high | 89.1 | Confident | 117 Ų | 117 | 71.8 Ų | 71.8 | 61% | 0.613 | 40% | 0.4 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 135.8 | 172.7 | -63.8 | 174.2 | 0 | 0 | 0 | 107.9 | T244 L245 | L230-T244 CarbonylContact O-C 3.54Å; L230-T244 VanDerWaalsContact O-CA 3.29Å; L230-T244 WeakPolarHBondContact O-CA 3.28Å; L230-L245 PolarHBondContact N-O 2.91Å; L230-L245 PolarHBondContact O-N 2.79Å |
| 231 | L | 93.9 | Very high | 89.6 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 3% | 0.026 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 134.3 | 177.1 | -173.2 | 149.4 | 0 | 0 | 0 | 109.6 | Y63 C66 L202 L211 G212 R233 L243 T244 | Y63-L231 HydrophobicContact CD2-CB 4.48Å; Y63-L231 HydrophobicContact CD2-CD1 3.76Å; Y63-L231 HydrophobicContact CE2-CB 3.7Å; Y63-L231 HydrophobicContact CE2-CD1 3.35Å; Y63-L231 HydrophobicContact CE2-CG 4.12Å; Y63-L231 HydrophobicContact CG-CD1 4.47Å; C66-L231 HydrophobicContact CB-CD1 3.81Å; C66-L231 HydrophobicContact CB-CD2 4.22Å; L202-L231 HydrophobicContact CD2-CD2 3.74Å; L211-L231 CarbonylContact C-O 3.53Å; L211-L231 WeakPolarHBondContact CA-O 3.47Å; G212-L231 PolarHBondContact N-O 2.78Å; G212-L231 PolarHBondContact O-N 3.16Å; L231-R233 HydrophobicContact CD2-CB 4.22Å; L231-L243 CarbonylContact C-O 3.59Å; L231-L243 WeakPolarHBondContact CA-O 3.26Å; L231-T244 WeakPolarHBondContact CD1-OG1 3.29Å |
| 232 | G | 94.2 | Very high | 90.3 | Very high | 17 Ų | 17 | 61.9 Ų | 61.9 | 18% | 0.175 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 132.1 | 166.7 | 0 | 0 | 0 | 0 | 0 | 110.2 | V210 T242 L243 | V210-G232 CarbonylContact O-C 3.53Å; V210-G232 WeakPolarHBondContact O-CA 3.24Å; G232-T242 CarbonylContact O-C 3.55Å; G232-T242 VanDerWaalsContact O-CA 3.26Å; G232-T242 WeakPolarHBondContact O-CA 3.36Å; G232-L243 PolarHBondContact N-O 2.89Å; G232-L243 PolarHBondContact O-N 2.86Å |
| 233 | R | 93.8 | Very high | 91.2 | Very high | 42 Ų | 42 | 61.2 Ų | 61.2 | 16% | 0.158 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 125.7 | 172.5 | 171.1 | 170.3 | 80.7 | 86.7 | -3 | 109.4 | P60 L209 V210 L231 T235 V240 A241 T242 | P60-R233 PolarHBondContact O-NH2 2.76Å; L209-R233 WeakPolarHBondContact CA-O 3.39Å; V210-R233 HydrophobicContact CB-CB 4.28Å; V210-R233 PolarHBondContact N-O 2.85Å; V210-R233 PolarHBondContact O-N 2.81Å; L231-R233 HydrophobicContact CD2-CB 4.22Å; R233-T235 PolarHBondContact NH1-OG1 3.33Å; R233-V240 HydrophobicContact CG-CG1 4.1Å; R233-A241 CarbonylContact C-O 3.57Å; R233-A241 WeakPolarHBondContact CA-O 3.28Å; R233-T242 HydrophobicContact CB-CG2 3.85Å; R233-T242 HydrophobicContact CG-CG2 3.75Å |
| 234 | Y | 93.3 | Very high | 91.7 | Very high | 113 Ų | 113 | 56.3 Ų | 56.3 | 44% | 0.443 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 125.2 | 174 | -173.9 | -97.3 | 0 | 0 | 0 | 109.8 | A208 L209 F239 V240 A241 | A208-Y234 HydrophobicContact CB-CD2 4.43Å; A208-Y234 HydrophobicContact CB-CE2 3.98Å; A208-Y234 CarbonylContact O-C 3.6Å; A208-Y234 WeakPolarHBondContact O-CA 3.33Å; L209-Y234 HydrophobicContact CB-CD2 4.4Å; L209-Y234 HydrophobicContact CD1-CD2 4.07Å; Y234-F239 AromaticContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CZ 4.15Å; Y234-F239 AromaticContact CE1-CE2 3.83Å; Y234-F239 HydrophobicContact CE1-CE2 3.83Å; Y234-F239 AromaticContact CE1-CZ 3.74Å; Y234-F239 HydrophobicContact CE1-CZ 3.74Å; Y234-V240 CarbonylContact O-C 3.58Å; Y234-V240 WeakPolarHBondContact O-CA 3.48Å; Y234-A241 PolarHBondContact N-O 2.79Å; Y234-A241 PolarHBondContact O-N 3.47Å |
| 235 | T | 92 | Very high | 92.1 | Very high | 41 Ų | 41 | 54.8 Ų | 54.8 | 25% | 0.252 | 31% | 0.306 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 107.5 | -178.6 | -55.4 | 0 | 0 | 0 | 0 | 108.5 | A208 R233 V240 | A208-T235 VanDerWaalsContact CB-O 3.26Å; A208-T235 WeakPolarHBondContact CB-O 3.39Å; A208-T235 PolarHBondContact O-N 2.8Å; R233-T235 PolarHBondContact NH1-OG1 3.33Å; T235-V240 HydrophobicContact CG2-CG2 4.19Å |
| 236 | G | 89.3 | Confident | 92.3 | Very high | 18 Ų | 18 | 55.1 Ų | 55.1 | 19% | 0.186 | 31% | 0.309 | C | S | . | . | trans | -89.2 | -171.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | N238 F239 | G236-N238 PolarHBondContact O-N 2.93Å; G236-F239 PolarHBondContact N-O 2.88Å | ||
| 237 | D | 89.1 | Confident | 92 | Very high | 164 Ų | 164 | 54.1 Ų | 54.1 | 88% | 0.877 | 32% | 0.316 | S | S | * | . | S | Bend | trans | -63.2 | -43.6 | -175.9 | -56.4 | -41.9 | 0 | 0 | 0 | 112.6 | ||
| 238 | N | 91 | Very high | 91.6 | Very high | 100 Ų | 100 | 54.5 Ų | 54.5 | 54% | 0.535 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -122.3 | -1.8 | -175.9 | -67.3 | -32.7 | 0 | 0 | 0 | 114.1 | G236 H256 K257 | G236-N238 PolarHBondContact O-N 2.93Å; N238-H256 PolarHBondContact O-CD2 2.91Å; N238-K257 PolarHBondContact O-N 2.84Å |
| 239 | F | 92.2 | Very high | 91.5 | Very high | 65 Ų | 65 | 51.6 Ų | 51.6 | 29% | 0.285 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 153.9 | -176.2 | 71.1 | -88.8 | 0 | 0 | 0 | 112.5 | Y234 G236 Y254 Y255 H256 | Y234-F239 AromaticContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CE2 3.73Å; Y234-F239 HydrophobicContact CD1-CZ 4.15Å; Y234-F239 AromaticContact CE1-CE2 3.83Å; Y234-F239 HydrophobicContact CE1-CE2 3.83Å; Y234-F239 AromaticContact CE1-CZ 3.74Å; Y234-F239 HydrophobicContact CE1-CZ 3.74Å; G236-F239 PolarHBondContact N-O 2.88Å; F239-Y254 HydrophobicContact CB-CE2 4.01Å; F239-Y254 HydrophobicContact CD2-CD2 4.48Å; F239-Y254 AromaticContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CE2-CE2 4.34Å; F239-Y254 HydrophobicContact CG-CE2 4.04Å; F239-Y255 CarbonylContact C-O 3.54Å; F239-Y255 WeakPolarHBondContact CA-O 3.33Å; F239-Y255 VanDerWaalsContact CB-O 3.3Å; F239-Y255 WeakPolarHBondContact CB-O 3.42Å; F239-H256 HydrophobicContact CB-CB 4.25Å |
| 240 | V | 93.4 | Very high | 91.5 | Very high | 12 Ų | 12 | 52.2 Ų | 52.2 | 7% | 0.073 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.9 | 119.5 | 174.5 | -176.5 | 0 | 0 | 0 | 0 | 107.9 | K69 R233 Y234 T235 T242 Y255 | K69-V240 HydrophobicContact CD-CG2 4.32Å; R233-V240 HydrophobicContact CG-CG1 4.1Å; Y234-V240 CarbonylContact O-C 3.58Å; Y234-V240 WeakPolarHBondContact O-CA 3.48Å; T235-V240 HydrophobicContact CG2-CG2 4.19Å; V240-T242 HydrophobicContact CG1-CG2 4.16Å; V240-Y255 HydrophobicContact CB-CD1 4.47Å; V240-Y255 HydrophobicContact CG2-CD1 4.36Å; V240-Y255 PolarHBondContact N-O 2.82Å; V240-Y255 PolarHBondContact O-N 2.97Å |
| 241 | A | 94.5 | Very high | 91.5 | Very high | 32 Ų | 32 | 48 Ų | 48 | 26% | 0.264 | 29% | 0.292 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 132.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | R233 Y234 T253 Y254 | R233-A241 CarbonylContact C-O 3.57Å; R233-A241 WeakPolarHBondContact CA-O 3.28Å; Y234-A241 PolarHBondContact N-O 2.79Å; Y234-A241 PolarHBondContact O-N 3.47Å; A241-T253 CarbonylContact C-O 3.52Å; A241-T253 WeakPolarHBondContact CA-O 3.34Å; A241-Y254 HydrophobicContact CB-CD2 4.08Å |
| 242 | T | 94 | Very high | 91.5 | Very high | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.043 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.5 | 146.7 | 171.5 | 68 | 0 | 0 | 0 | 0 | 110.7 | C66 H67 G232 R233 V240 A252 T253 | C66-T242 HydrophobicContact CB-CG2 4.32Å; C66-T242 WeakPolarHBondContact O-CG2 3.1Å; H67-T242 PolarHBondContact CE1-OG1 3.35Å; H67-T242 PolarHBondContact ND1-OG1 2.9Å; H67-T242 VanDerWaalsContact ND1-OG1 3.13Å; G232-T242 CarbonylContact O-C 3.55Å; G232-T242 VanDerWaalsContact O-CA 3.26Å; G232-T242 WeakPolarHBondContact O-CA 3.36Å; R233-T242 HydrophobicContact CB-CG2 3.85Å; R233-T242 HydrophobicContact CG-CG2 3.75Å; V240-T242 HydrophobicContact CG1-CG2 4.16Å; T242-A252 CarbonylContact O-C 3.55Å; T242-A252 VanDerWaalsContact O-CA 3.31Å; T242-A252 WeakPolarHBondContact O-CA 3.33Å; T242-T253 PolarHBondContact N-O 2.79Å; T242-T253 PolarHBondContact O-N 2.78Å; T242-T253 PolarHBondContact OG1-OG1 2.81Å |
| 243 | L | 94.7 | Very high | 91.5 | Very high | 79 Ų | 79 | 48.6 Ų | 48.6 | 41% | 0.414 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 120.8 | 179.5 | 178 | 65 | 0 | 0 | 0 | 108.3 | L231 G232 L245 A252 | L231-L243 CarbonylContact C-O 3.59Å; L231-L243 WeakPolarHBondContact CA-O 3.26Å; G232-L243 PolarHBondContact N-O 2.89Å; G232-L243 PolarHBondContact O-N 2.86Å; L243-L245 HydrophobicContact CD1-CD2 3.91Å; L243-L245 HydrophobicContact CD1-CG 4.15Å; L243-L245 HydrophobicContact CD2-CD1 4.02Å; L243-L245 HydrophobicContact CD2-CG 4.17Å; L243-L245 HydrophobicContact CG-CD1 4.36Å; L243-L245 HydrophobicContact CG-CD2 4.27Å; L243-L245 HydrophobicContact CG-CG 3.95Å; L243-A252 HydrophobicContact CD1-CB 3.78Å |
| 244 | T | 93.1 | Very high | 91.6 | Very high | 15 Ų | 15 | 51 Ų | 51 | 9% | 0.092 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 119.1 | 173.5 | -60.2 | 0 | 0 | 0 | 0 | 108.1 | H67 L230 L231 A250 H251 | H67-T244 PolarHBondContact NE2-OG1 2.84Å; L230-T244 CarbonylContact O-C 3.54Å; L230-T244 VanDerWaalsContact O-CA 3.29Å; L230-T244 WeakPolarHBondContact O-CA 3.28Å; L231-T244 WeakPolarHBondContact CD1-OG1 3.29Å; T244-A250 CarbonylContact O-C 3.54Å; T244-A250 WeakPolarHBondContact O-CA 3.2Å; T244-H251 PolarHBondContact N-O 2.81Å; T244-H251 PolarHBondContact O-N 2.91Å |
| 245 | L | 93.4 | Very high | 91.7 | Very high | 87 Ų | 87 | 47.1 Ų | 47.1 | 46% | 0.455 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 117.3 | 179.5 | -65.3 | 178.3 | 0 | 0 | 0 | 108.7 | S229 L230 L243 A250 | S229-L245 CarbonylContact C-O 3.5Å; S229-L245 WeakPolarHBondContact CA-O 3.46Å; L230-L245 PolarHBondContact N-O 2.91Å; L230-L245 PolarHBondContact O-N 2.79Å; L243-L245 HydrophobicContact CD1-CD2 3.91Å; L243-L245 HydrophobicContact CD1-CG 4.15Å; L243-L245 HydrophobicContact CD2-CD1 4.02Å; L243-L245 HydrophobicContact CD2-CG 4.17Å; L243-L245 HydrophobicContact CG-CD1 4.36Å; L243-L245 HydrophobicContact CG-CD2 4.27Å; L243-L245 HydrophobicContact CG-CG 3.95Å; L245-A250 HydrophobicContact CD2-CB 3.44Å; L245-A250 VanDerWaalsContact CD2-CB 3.44Å |
| 246 | G | 89.7 | Confident | 91.8 | Very high | 22 Ų | 22 | 48.2 Ų | 48.2 | 23% | 0.227 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 175.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | T228 A248 G249 | T228-G246 VanDerWaalsContact O-CA 3.27Å; T228-G246 WeakPolarHBondContact O-CA 3.47Å; G246-A248 PolarHBondContact O-N 2.91Å; G246-G249 PolarHBondContact N-O 3.42Å; G246-G249 PolarHBondContact O-N 2.82Å; G246-G249 VanDerWaalsContact O-N 3.13Å; G246-G249 VanDerWaalsContact O-O 3.07Å |
| 247 | G | 83.3 | Confident | 92 | Very high | 66 Ų | 66 | 50.9 Ų | 50.9 | 68% | 0.68 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60 | -19.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | T228 | T228-G247 PolarHBondContact O-N 3Å; T228-G247 VanDerWaalsContact O-N 3.17Å |
| 248 | A | 81.3 | Confident | 92 | Very high | 49 Ų | 49 | 45.7 Ų | 45.7 | 41% | 0.405 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | -18.8 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | G246 T272 | G246-A248 PolarHBondContact O-N 2.91Å; A248-T272 PolarHBondContact O-N 2.79Å |
| 249 | G | 89.2 | Confident | 91.9 | Very high | 18 Ų | 18 | 45.7 Ų | 45.7 | 19% | 0.186 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 159.8 | -176.6 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | G246 A270 | G246-G249 PolarHBondContact N-O 3.42Å; G246-G249 PolarHBondContact O-N 2.82Å; G246-G249 VanDerWaalsContact O-N 3.13Å; G246-G249 VanDerWaalsContact O-O 3.07Å; G249-A270 CarbonylContact C-O 3.54Å; G249-A270 WeakPolarHBondContact CA-O 3.36Å |
| 250 | A | 92.7 | Very high | 91.6 | Very high | 27 Ų | 27 | 48.4 Ų | 48.4 | 22% | 0.223 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 134.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | T244 L245 A270 | T244-A250 CarbonylContact O-C 3.54Å; T244-A250 WeakPolarHBondContact O-CA 3.2Å; L245-A250 HydrophobicContact CD2-CB 3.44Å; L245-A250 VanDerWaalsContact CD2-CB 3.44Å; A250-A270 HydrophobicContact CB-CB 4.37Å; A250-A270 PolarHBondContact N-O 2.91Å; A250-A270 PolarHBondContact O-N 2.8Å |
| 251 | H | 93.4 | Very high | 91.5 | Very high | 30 Ų | 30 | 52 Ų | 52 | 14% | 0.139 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 113 | 176 | -174.2 | -130.5 | 0 | 0 | 0 | 109.4 | H67 T244 E267 F268 | H67-H251 AromaticContact CD2-ND1 3.87Å; H67-H251 AromaticContact CE1-CE1 3.79Å; H67-H251 AromaticContact CE1-ND1 3.16Å; H67-H251 PolarHBondContact CE1-ND1 3.14Å; H67-H251 AromaticContact CG-CE1 3.84Å; H67-H251 AromaticContact CG-ND1 3.75Å; H67-H251 AromaticContact ND1-CE1 3.47Å; H67-H251 PolarHBondContact ND1-CE1 2.83Å; H67-H251 AromaticContact ND1-ND1 3.33Å; H67-H251 PolarHBondContact ND1-ND1 2.83Å; H67-H251 AromaticContact NE2-ND1 3.54Å; T244-H251 PolarHBondContact N-O 2.81Å; T244-H251 PolarHBondContact O-N 2.91Å; H251-E267 IonicContact CD2-OE1 3.57Å; H251-E267 IonicContact CE1-OE1 3.15Å; H251-E267 PolarHBondContact CE1-OE1 2.81Å; H251-E267 VanDerWaalsContact CE1-OE1 3.31Å; H251-E267 WeakPolarHBondContact NE2-CG 3.4Å; H251-E267 IonicContact NE2-OE1 3.36Å; H251-E267 PolarHBondContact NE2-OE1 2.78Å; H251-F268 CarbonylContact C-O 3.55Å; H251-F268 WeakPolarHBondContact CA-O 3.28Å; H251-F268 PolarHBondContact CD2-O 3.08Å |
| 252 | A | 94.6 | Very high | 91.4 | Very high | 28 Ų | 28 | 53.3 Ų | 53.3 | 23% | 0.231 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 134.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | T242 L243 F268 | T242-A252 CarbonylContact O-C 3.55Å; T242-A252 VanDerWaalsContact O-CA 3.31Å; T242-A252 WeakPolarHBondContact O-CA 3.33Å; L243-A252 HydrophobicContact CD1-CB 3.78Å; A252-F268 HydrophobicContact CB-CB 4.32Å; A252-F268 HydrophobicContact CB-CD1 4.45Å; A252-F268 PolarHBondContact N-O 2.81Å; A252-F268 PolarHBondContact O-N 2.85Å |
| 253 | T | 94.8 | Very high | 91.4 | Very high | 6 Ų | 6 | 55 Ų | 55 | 4% | 0.037 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 141.9 | 174 | 70.3 | 0 | 0 | 0 | 0 | 111.3 | H67 C70 A241 T242 V266 E267 | H67-T253 VanDerWaalsContact ND1-CG2 3.31Å; H67-T253 WeakPolarHBondContact ND1-CG2 3.32Å; H67-T253 PolarHBondContact ND1-OG1 2.82Å; C70-T253 HydrophobicContact CB-CG2 4.21Å; A241-T253 CarbonylContact C-O 3.52Å; A241-T253 WeakPolarHBondContact CA-O 3.34Å; T242-T253 PolarHBondContact N-O 2.79Å; T242-T253 PolarHBondContact O-N 2.78Å; T242-T253 PolarHBondContact OG1-OG1 2.81Å; T253-V266 CarbonylContact C-O 3.51Å; T253-V266 VanDerWaalsContact CA-O 3.28Å; T253-V266 WeakPolarHBondContact CA-O 3.4Å; T253-E267 HydrophobicContact CG2-CB 4.24Å; T253-E267 HydrophobicContact CG2-CG 4Å |
| 254 | Y | 95.3 | Very high | 91.5 | Very high | 93 Ų | 93 | 52.7 Ų | 52.7 | 37% | 0.365 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 112.7 | 178.4 | -179.8 | -97 | 0 | 0 | 0 | 109 | F239 A241 H256 G265 V266 | F239-Y254 HydrophobicContact CB-CE2 4.01Å; F239-Y254 HydrophobicContact CD2-CD2 4.48Å; F239-Y254 AromaticContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CD2-CE2 3.6Å; F239-Y254 HydrophobicContact CE2-CE2 4.34Å; F239-Y254 HydrophobicContact CG-CE2 4.04Å; A241-Y254 HydrophobicContact CB-CD2 4.08Å; Y254-H256 HydrophobicContact CD1-CB 4.42Å; Y254-H256 HydrophobicContact CE1-CB 3.64Å; Y254-G265 CarbonylContact O-C 3.59Å; Y254-G265 WeakPolarHBondContact O-CA 3.39Å; Y254-V266 PolarHBondContact N-O 2.89Å; Y254-V266 PolarHBondContact O-N 3.46Å |
| 255 | Y | 95.4 | Very high | 91.6 | Very high | 31 Ų | 31 | 52 Ų | 52 | 12% | 0.122 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 135.5 | 175 | 170.1 | -93.2 | 0 | 0 | 0 | 109.4 | K69 V73 F239 V240 K257 Q263 | K69-Y255 HydrophobicContact CB-CG 4.44Å; V73-Y255 HydrophobicContact CG2-CD2 3.7Å; V73-Y255 HydrophobicContact CG2-CE2 3.61Å; F239-Y255 CarbonylContact C-O 3.54Å; F239-Y255 WeakPolarHBondContact CA-O 3.33Å; F239-Y255 VanDerWaalsContact CB-O 3.3Å; F239-Y255 WeakPolarHBondContact CB-O 3.42Å; V240-Y255 HydrophobicContact CB-CD1 4.47Å; V240-Y255 HydrophobicContact CG2-CD1 4.36Å; V240-Y255 PolarHBondContact N-O 2.82Å; V240-Y255 PolarHBondContact O-N 2.97Å; Y255-K257 HydrophobicContact CE1-CB 4.3Å; Y255-Q263 HydrophobicContact CE2-CB 4.13Å; Y255-Q263 VanDerWaalsContact OH-CD 3.22Å; Y255-Q263 PolarHBondContact OH-OE1 2.8Å |
| 256 | H | 93.9 | Very high | 91.7 | Very high | 64 Ų | 64 | 50 Ų | 50 | 30% | 0.296 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 124.6 | 176.4 | -177.1 | -141.3 | 0 | 0 | 0 | 111 | N238 F239 Y254 A258 V264 | N238-H256 PolarHBondContact O-CD2 2.91Å; F239-H256 HydrophobicContact CB-CB 4.25Å; Y254-H256 HydrophobicContact CD1-CB 4.42Å; Y254-H256 HydrophobicContact CE1-CB 3.64Å; H256-A258 PolarHBondContact O-N 2.87Å; H256-V264 PolarHBondContact N-O 2.81Å; H256-V264 PolarHBondContact O-N 2.77Å |
| 257 | K | 93.3 | Very high | 92 | Very high | 74 Ų | 74 | 50.3 Ų | 50.3 | 32% | 0.322 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 95.6 | 172 | -169.5 | -173.4 | -170.3 | -158 | 0 | 108.6 | N238 Y255 D260 Q263 | N238-K257 PolarHBondContact O-N 2.84Å; Y255-K257 HydrophobicContact CE1-CB 4.3Å; K257-D260 IonicContact NZ-OD1 3.42Å; K257-D260 PolarHBondContact NZ-OD1 2.91Å; K257-Q263 HydrophobicContact CG-CG 4.33Å |
| 258 | A | 89 | Confident | 92.5 | Very high | 55 Ų | 55 | 51 Ų | 51 | 46% | 0.455 | 28% | 0.278 | S | S | . | . | trans | -72.1 | -38.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112 | H256 L262 | H256-A258 PolarHBondContact O-N 2.87Å; A258-L262 HydrophobicContact CB-CD2 4.34Å; A258-L262 HydrophobicContact CB-CG 4.45Å; A258-L262 PolarHBondContact N-O 2.91Å; A258-L262 VanDerWaalsContact N-O 3.13Å | ||
| 259 | N | 89.6 | Confident | 93.1 | Very high | 100 Ų | 100 | 53.8 Ų | 53.8 | 54% | 0.535 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -152.1 | 172.2 | 177.3 | -153.7 | 8.7 | 0 | 0 | 0 | 110.3 | Q261 L262 | N259-Q261 PolarHBondContact O-N 3.08Å; N259-Q261 VanDerWaalsContact O-N 3.15Å; N259-L262 HydrophobicContact CB-CB 4.43Å; N259-L262 PolarHBondContact N-O 2.88Å; N259-L262 PolarHBondContact O-N 2.99Å |
| 260 | D | 86 | Confident | 93.3 | Very high | 121 Ų | 121 | 53.9 Ų | 53.9 | 65% | 0.647 | 28% | 0.281 | S | S | * | . | S | Bend | trans | -62.5 | -23.8 | 177.5 | -73.2 | -32.4 | 0 | 0 | 0 | 113.5 | K257 | K257-D260 IonicContact NZ-OD1 3.42Å; K257-D260 PolarHBondContact NZ-OD1 2.91Å |
| 261 | Q | 90.1 | Very high | 93.2 | Very high | 87 Ų | 87 | 54.2 Ų | 54.2 | 41% | 0.407 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -95.8 | -24.8 | 177 | -64.6 | 179.7 | -21.8 | 0 | 0 | 113.3 | N259 L285 D286 | N259-Q261 PolarHBondContact O-N 3.08Å; N259-Q261 VanDerWaalsContact O-N 3.15Å; Q261-L285 HydrophobicContact CB-CD1 4.45Å; Q261-L285 CarbonylContact O-C 3.56Å; Q261-L285 VanDerWaalsContact O-CA 3.31Å; Q261-L285 WeakPolarHBondContact O-CA 3.32Å; Q261-D286 WeakPolarHBondContact CB-O 3.27Å; Q261-D286 WeakPolarHBondContact CG-O 3.38Å; Q261-D286 PolarHBondContact O-N 2.79Å |
| 262 | L | 92.9 | Very high | 92.8 | Very high | 60 Ų | 60 | 57.5 Ų | 57.5 | 31% | 0.314 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 122.1 | -169.3 | -179.6 | 65.7 | 0 | 0 | 0 | 111.3 | A258 N259 V264 Y283 Q284 L285 | A258-L262 HydrophobicContact CB-CD2 4.34Å; A258-L262 HydrophobicContact CB-CG 4.45Å; A258-L262 PolarHBondContact N-O 2.91Å; A258-L262 VanDerWaalsContact N-O 3.13Å; N259-L262 HydrophobicContact CB-CB 4.43Å; N259-L262 PolarHBondContact N-O 2.88Å; N259-L262 PolarHBondContact O-N 2.99Å; L262-V264 HydrophobicContact CG-CG2 4.4Å; L262-Y283 HydrophobicContact CD1-CD2 4.35Å; L262-Q284 WeakPolarHBondContact CA-O 3.4Å; L262-L285 HydrophobicContact CB-CD1 4.41Å; L262-L285 HydrophobicContact CD1-CD1 4.3Å |
| 263 | Q | 94.6 | Very high | 92.3 | Very high | 43 Ų | 43 | 66.1 Ų | 66.1 | 20% | 0.201 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 142.3 | 175.1 | -52.6 | -178.9 | 24.6 | 0 | 0 | 109.2 | V73 Y255 K257 Y283 Q284 | V73-Q263 HydrophobicContact CG2-CB 4.46Å; Y255-Q263 HydrophobicContact CE2-CB 4.13Å; Y255-Q263 VanDerWaalsContact OH-CD 3.22Å; Y255-Q263 PolarHBondContact OH-OE1 2.8Å; K257-Q263 HydrophobicContact CG-CG 4.33Å; Q263-Y283 CarbonylContact O-C 3.53Å; Q263-Y283 VanDerWaalsContact O-CA 3.3Å; Q263-Y283 WeakPolarHBondContact O-CA 3.38Å; Q263-Q284 HydrophobicContact CB-CB 4.41Å; Q263-Q284 PolarHBondContact N-O 2.94Å; Q263-Q284 PolarHBondContact O-N 2.81Å |
| 264 | V | 95.7 | Very high | 91.8 | Very high | 30 Ų | 30 | 72.2 Ų | 72.2 | 18% | 0.182 | 36% | 0.361 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 140.5 | -177.5 | -177.7 | 0 | 0 | 0 | 0 | 108.9 | H256 L262 F281 | H256-V264 PolarHBondContact N-O 2.81Å; H256-V264 PolarHBondContact O-N 2.77Å; L262-V264 HydrophobicContact CG-CG2 4.4Å; V264-F281 HydrophobicContact CG1-CD2 4.37Å; V264-F281 HydrophobicContact CG1-CE2 3.42Å; V264-F281 VanDerWaalsContact CG1-CE2 3.42Å; V264-F281 HydrophobicContact CG1-CZ 3.6Å |
| 265 | G | 95.6 | Very high | 91.5 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 138.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | Y254 G282 | Y254-G265 CarbonylContact O-C 3.59Å; Y254-G265 WeakPolarHBondContact O-CA 3.39Å; G265-G282 PolarHBondContact N-O 3.32Å; G265-G282 PolarHBondContact O-N 2.91Å; G265-G282 VanDerWaalsContact O-O 3.05Å |
| 266 | V | 95.8 | Very high | 91.2 | Very high | 47 Ų | 47 | 79.6 Ų | 79.6 | 29% | 0.285 | 40% | 0.403 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 130.1 | 172.2 | -172.1 | 0 | 0 | 0 | 0 | 107.9 | C70 T253 Y254 T279 S280 F281 | C70-V266 PolarHBondContact SG-O 3.08Å; T253-V266 CarbonylContact C-O 3.51Å; T253-V266 VanDerWaalsContact CA-O 3.28Å; T253-V266 WeakPolarHBondContact CA-O 3.4Å; Y254-V266 PolarHBondContact N-O 2.89Å; Y254-V266 PolarHBondContact O-N 3.46Å; V266-T279 HydrophobicContact CG1-CG2 4.5Å; V266-S280 WeakPolarHBondContact CA-O 3.35Å; V266-F281 HydrophobicContact CG2-CD2 3.82Å; V266-F281 HydrophobicContact CG2-CE2 4.3Å |
| 267 | E | 95.1 | Very high | 91.2 | Very high | 27 Ų | 27 | 80.9 Ų | 80.9 | 13% | 0.126 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 128.6 | 179.7 | 178.2 | 163.8 | -163.8 | 0 | 0 | 108.8 | F74 H251 T253 T279 S280 | F74-E267 HydrophobicContact CE2-CB 3.88Å; F74-E267 WeakPolarHBondContact CE2-OE2 3.32Å; F74-E267 HydrophobicContact CZ-CB 3.69Å; H251-E267 IonicContact CD2-OE1 3.57Å; H251-E267 IonicContact CE1-OE1 3.15Å; H251-E267 PolarHBondContact CE1-OE1 2.81Å; H251-E267 VanDerWaalsContact CE1-OE1 3.31Å; H251-E267 WeakPolarHBondContact NE2-CG 3.4Å; H251-E267 IonicContact NE2-OE1 3.36Å; H251-E267 PolarHBondContact NE2-OE1 2.78Å; T253-E267 HydrophobicContact CG2-CB 4.24Å; T253-E267 HydrophobicContact CG2-CG 4Å; E267-T279 CarbonylContact O-C 3.5Å; E267-T279 WeakPolarHBondContact O-CA 3.41Å; E267-S280 PolarHBondContact N-O 3.47Å; E267-S280 PolarHBondContact O-N 2.78Å |
| 268 | F | 94.8 | Very high | 91.2 | Very high | 81 Ų | 81 | 79.1 Ų | 79.1 | 36% | 0.355 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 119.1 | 176 | 175.5 | -97.4 | 0 | 0 | 0 | 108.3 | H251 A252 A270 T279 | H251-F268 CarbonylContact C-O 3.55Å; H251-F268 WeakPolarHBondContact CA-O 3.28Å; H251-F268 PolarHBondContact CD2-O 3.08Å; A252-F268 HydrophobicContact CB-CB 4.32Å; A252-F268 HydrophobicContact CB-CD1 4.45Å; A252-F268 PolarHBondContact N-O 2.81Å; A252-F268 PolarHBondContact O-N 2.85Å; F268-A270 HydrophobicContact CE1-CB 3.77Å; F268-A270 HydrophobicContact CZ-CB 3.98Å; F268-T279 WeakPolarHBondContact CD2-OG1 3.36Å |
| 269 | E | 93.8 | Very high | 91.5 | Very high | 107 Ų | 107 | 79.3 Ų | 79.3 | 50% | 0.5 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 123.2 | 178.7 | -169.2 | 178.7 | 169.7 | 0 | 0 | 109.2 | T277 T278 | E269-T277 CarbonylContact O-C 3.49Å; E269-T277 WeakPolarHBondContact O-CA 3.01Å; E269-T278 PolarHBondContact N-O 2.81Å; E269-T278 PolarHBondContact O-N 3.23Å |
| 270 | A | 93.3 | Very high | 91.7 | Very high | 20 Ų | 20 | 75.6 Ų | 75.6 | 17% | 0.165 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 115 | 175.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | G249 A250 F268 T277 | G249-A270 CarbonylContact C-O 3.54Å; G249-A270 WeakPolarHBondContact CA-O 3.36Å; A250-A270 HydrophobicContact CB-CB 4.37Å; A250-A270 PolarHBondContact N-O 2.91Å; A250-A270 PolarHBondContact O-N 2.8Å; F268-A270 HydrophobicContact CE1-CB 3.77Å; F268-A270 HydrophobicContact CZ-CB 3.98Å; A270-T277 HydrophobicContact CB-CG2 3.96Å |
| 271 | S | 90.1 | Very high | 92.2 | Very high | 35 Ų | 35 | 74.2 Ų | 74.2 | 25% | 0.245 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 118.8 | 177 | -174.8 | 0 | 0 | 0 | 0 | 110.3 | R273 M274 Q275 D276 | S271-R273 VanDerWaalsContact C-N 3.28Å; S271-R273 PolarHBondContact O-N 2.97Å; S271-M274 PolarHBondContact OG-N 3.31Å; S271-Q275 VanDerWaalsContact O-CA 3.3Å; S271-Q275 WeakPolarHBondContact O-CA 3.42Å; S271-Q275 PolarHBondContact O-N 3.4Å; S271-D276 PolarHBondContact N-O 2.96Å; S271-D276 PolarHBondContact O-N 2.8Å |
| 272 | T | 86.1 | Confident | 92.5 | Very high | 98 Ų | 98 | 70 Ų | 70 | 60% | 0.601 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.1 | -31.3 | 176.3 | -51.8 | 0 | 0 | 0 | 0 | 111.4 | A248 | A248-T272 PolarHBondContact O-N 2.79Š|
| 273 | R | 83.4 | Confident | 92.6 | Very high | 210 Ų | 210 | 71.2 Ų | 71.2 | 79% | 0.792 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -48.1 | -179.7 | -176.6 | -175.5 | -64.2 | -116.2 | 0.5 | 112.2 | S271 | S271-R273 VanDerWaalsContact C-N 3.28Å; S271-R273 PolarHBondContact O-N 2.97Å |
| 274 | M | 84.8 | Confident | 92.6 | Very high | 134 Ų | 134 | 70.4 Ų | 70.4 | 66% | 0.66 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -11.5 | -178.9 | -60.3 | -60.7 | -117.2 | 0 | 0 | 112.6 | S271 D276 | S271-M274 PolarHBondContact OG-N 3.31Å; M274-D276 HydrophobicContact CB-CB 4.21Å; M274-D276 PolarHBondContact O-N 3.02Å |
| 275 | Q | 87.9 | Confident | 92.5 | Very high | 175 Ų | 175 | 71.9 Ų | 71.9 | 82% | 0.818 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.8 | 29.8 | -171.4 | -59.7 | -175.5 | -31.6 | 0 | 0 | 113 | S271 | S271-Q275 VanDerWaalsContact O-CA 3.3Å; S271-Q275 WeakPolarHBondContact O-CA 3.42Å; S271-Q275 PolarHBondContact O-N 3.4Å |
| 276 | D | 89.6 | Confident | 92.4 | Very high | 103 Ų | 103 | 75 Ų | 75 | 55% | 0.551 | 38% | 0.378 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 137.9 | -179.4 | -78.8 | -23.4 | 0 | 0 | 0 | 110.2 | S271 M274 | S271-D276 PolarHBondContact N-O 2.96Å; S271-D276 PolarHBondContact O-N 2.8Å; M274-D276 HydrophobicContact CB-CB 4.21Å; M274-D276 PolarHBondContact O-N 3.02Å |
| 277 | T | 93.3 | Very high | 92.1 | Very high | 91 Ų | 91 | 74.8 Ų | 74.8 | 56% | 0.558 | 38% | 0.376 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 127.1 | 174.9 | 57.9 | 0 | 0 | 0 | 0 | 109.4 | E269 A270 | E269-T277 CarbonylContact O-C 3.49Å; E269-T277 WeakPolarHBondContact O-CA 3.01Å; A270-T277 HydrophobicContact CB-CG2 3.96Å |
| 278 | T | 93 | Very high | 91.6 | Very high | 38 Ų | 38 | 77 Ų | 77 | 23% | 0.233 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 132.2 | -177.6 | -59.8 | 0 | 0 | 0 | 0 | 109.2 | E269 D299 | E269-T278 PolarHBondContact N-O 2.81Å; E269-T278 PolarHBondContact O-N 3.23Å; T278-D299 WeakPolarHBondContact CG2-OD1 3.29Å; T278-D299 WeakPolarHBondContact CG2-OD2 3.41Å |
| 279 | T | 95.3 | Very high | 91.1 | Very high | 58 Ų | 58 | 82.8 Ų | 82.8 | 36% | 0.356 | 42% | 0.418 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 115.1 | 177.6 | -50.4 | 0 | 0 | 0 | 0 | 109.5 | V266 E267 F268 D299 S300 | V266-T279 HydrophobicContact CG1-CG2 4.5Å; E267-T279 CarbonylContact O-C 3.5Å; E267-T279 WeakPolarHBondContact O-CA 3.41Å; F268-T279 WeakPolarHBondContact CD2-OG1 3.36Å; T279-D299 VanDerWaalsContact C-OD1 3.22Å; T279-S300 PolarHBondContact N-OG 3.15Å; T279-S300 PolarHBondContact O-N 2.79Å |
| 280 | S | 94.8 | Very high | 90.7 | Very high | 23 Ų | 23 | 79.8 Ų | 79.8 | 16% | 0.161 | 41% | 0.411 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 130.3 | -179.4 | -71 | 0 | 0 | 0 | 0 | 110.8 | V266 E267 D299 | V266-S280 WeakPolarHBondContact CA-O 3.35Å; E267-S280 PolarHBondContact N-O 3.47Å; E267-S280 PolarHBondContact O-N 2.78Å; S280-D299 PolarHBondContact OG-OD1 2.9Å |
| 281 | F | 96.4 | Very high | 90.4 | Very high | 91 Ų | 91 | 82.5 Ų | 82.5 | 40% | 0.399 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.4 | 123.8 | 173.7 | 176 | -89 | 0 | 0 | 0 | 109 | V264 V266 Y283 T297 V298 | V264-F281 HydrophobicContact CG1-CD2 4.37Å; V264-F281 HydrophobicContact CG1-CE2 3.42Å; V264-F281 VanDerWaalsContact CG1-CE2 3.42Å; V264-F281 HydrophobicContact CG1-CZ 3.6Å; V266-F281 HydrophobicContact CG2-CD2 3.82Å; V266-F281 HydrophobicContact CG2-CE2 4.3Å; F281-Y283 HydrophobicContact CE1-CD1 4.1Å; F281-T297 CarbonylContact O-C 3.59Å; F281-T297 VanDerWaalsContact O-CA 3.24Å; F281-T297 WeakPolarHBondContact O-CA 3.23Å; F281-T297 PolarHBondContact O-OG1 2.72Å; F281-V298 PolarHBondContact N-O 2.96Å; F281-V298 PolarHBondContact O-N 2.87Å |
| 282 | G | 95.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 149.7 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112 | G265 G296 | G265-G282 PolarHBondContact N-O 3.32Å; G265-G282 PolarHBondContact O-N 2.91Å; G265-G282 VanDerWaalsContact O-O 3.05Å; G282-G296 CarbonylContact C-O 3.59Å; G282-G296 VanDerWaalsContact CA-O 3.24Å; G282-G296 WeakPolarHBondContact CA-O 3.06Å |
| 283 | Y | 95.3 | Very high | 90.7 | Very high | 85 Ų | 85 | 79.6 Ų | 79.6 | 33% | 0.333 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.9 | 148.6 | 170.1 | 68.9 | -83.6 | 0 | 0 | 0 | 110.9 | L262 Q263 F281 F294 K295 G296 | L262-Y283 HydrophobicContact CD1-CD2 4.35Å; Q263-Y283 CarbonylContact O-C 3.53Å; Q263-Y283 VanDerWaalsContact O-CA 3.3Å; Q263-Y283 WeakPolarHBondContact O-CA 3.38Å; F281-Y283 HydrophobicContact CE1-CD1 4.1Å; Y283-F294 AromaticContact CE2-CD1 3.79Å; Y283-F294 HydrophobicContact CE2-CD1 3.79Å; Y283-F294 AromaticContact CE2-CE1 3.63Å; Y283-F294 HydrophobicContact CE2-CE1 3.63Å; Y283-F294 AromaticContact CZ-CE1 3.62Å; Y283-F294 VanDerWaalsContact OH-CE1 3.28Å; Y283-F294 WeakPolarHBondContact OH-CE1 3.39Å; Y283-K295 CarbonylContact O-C 3.56Å; Y283-K295 WeakPolarHBondContact O-CA 3.08Å; Y283-G296 PolarHBondContact N-O 2.8Å; Y283-G296 PolarHBondContact O-N 3.1Å |
| 284 | Q | 95.1 | Very high | 91.3 | Very high | 26 Ų | 26 | 72 Ų | 72 | 12% | 0.121 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 124.5 | 177.1 | 174.6 | 176.7 | -43.5 | 0 | 0 | 108.7 | E72 V73 L262 Q263 L293 F294 K295 | E72-Q284 PolarHBondContact O-OE1 2.95Å; V73-Q284 HydrophobicContact CG1-CB 3.91Å; L262-Q284 WeakPolarHBondContact CA-O 3.4Å; Q263-Q284 HydrophobicContact CB-CB 4.41Å; Q263-Q284 PolarHBondContact N-O 2.94Å; Q263-Q284 PolarHBondContact O-N 2.81Å; Q284-L293 HydrophobicContact CG-CD1 3.84Å; Q284-F294 CarbonylContact C-O 3.55Å; Q284-F294 WeakPolarHBondContact CA-O 3.48Å; Q284-K295 HydrophobicContact CB-CG 4.17Å; Q284-K295 HydrophobicContact CG-CG 4.02Å |
| 285 | L | 94 | Very high | 91.8 | Very high | 61 Ų | 61 | 67.4 Ų | 67.4 | 32% | 0.319 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 115.1 | 176.4 | -175.5 | 72.5 | 0 | 0 | 0 | 109.2 | Q261 L262 V287 F294 | Q261-L285 HydrophobicContact CB-CD1 4.45Å; Q261-L285 CarbonylContact O-C 3.56Å; Q261-L285 VanDerWaalsContact O-CA 3.31Å; Q261-L285 WeakPolarHBondContact O-CA 3.32Å; L262-L285 HydrophobicContact CB-CD1 4.41Å; L262-L285 HydrophobicContact CD1-CD1 4.3Å; L285-V287 HydrophobicContact CD2-CG2 4.05Å; L285-V287 HydrophobicContact CG-CG2 3.98Å; L285-F294 HydrophobicContact CB-CB 4.39Å; L285-F294 PolarHBondContact N-O 2.88Å; L285-F294 PolarHBondContact O-N 3.46Å |
| 286 | D | 92.6 | Very high | 92.2 | Very high | 65 Ų | 65 | 59.2 Ų | 59.2 | 35% | 0.348 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 118.4 | 173 | -170 | -7.3 | 0 | 0 | 0 | 109.8 | Q261 P288 L293 | Q261-D286 WeakPolarHBondContact CB-O 3.27Å; Q261-D286 WeakPolarHBondContact CG-O 3.38Å; Q261-D286 PolarHBondContact O-N 2.79Å; D286-P288 VanDerWaalsContact O-CD 3.26Å; D286-P288 WeakPolarHBondContact O-CD 3.48Å; D286-L293 HydrophobicContact CB-CD1 3.82Å |
| 287 | V | 90.4 | Very high | 92.5 | Very high | 42 Ų | 42 | 55.1 Ų | 55.1 | 26% | 0.255 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 86.1 | 177.6 | -171 | 0 | 0 | 0 | 0 | 108.6 | L285 K289 A290 N291 L292 | L285-V287 HydrophobicContact CD2-CG2 4.05Å; L285-V287 HydrophobicContact CG-CG2 3.98Å; V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.17Å; V287-A290 HydrophobicContact CB-CB 4.35Å; V287-A290 HydrophobicContact CG1-CB 3.87Å; V287-A290 PolarHBondContact O-N 3.07Å; V287-N291 PolarHBondContact O-N 3.13Å; V287-N291 VanDerWaalsContact O-N 3.14Å; V287-L292 HydrophobicContact CB-CB 4.44Å; V287-L292 PolarHBondContact N-O 2.83Å; V287-L292 PolarHBondContact O-N 3.25Å |
| 288 | P | 85.3 | Confident | 92.6 | Very high | 75 Ų | 75 | 54.3 Ų | 54.3 | 49% | 0.487 | 29% | 0.286 | S | S | . | . | G | 310 helix | trans | -62.4 | -33.2 | -174.2 | 20.7 | -32.3 | 0 | 0 | 0 | 112.5 | D286 A290 N291 | D286-P288 VanDerWaalsContact O-CD 3.26Å; D286-P288 WeakPolarHBondContact O-CD 3.48Å; P288-A290 PolarHBondContact O-N 3.21Å; P288-N291 PolarHBondContact O-N 3.21Å |
| 289 | K | 83.6 | Confident | 92.6 | Very high | 202 Ų | 202 | 53.7 Ų | 53.7 | 88% | 0.878 | 28% | 0.281 | S | S | * | . | G | 310 helix | trans | -60.8 | -27.9 | 176.3 | -66.9 | -174.4 | 179.9 | 179 | 0 | 113.4 | V287 | V287-K289 VanDerWaalsContact C-N 3.26Å; V287-K289 PolarHBondContact O-N 3.17Å |
| 290 | A | 84.4 | Confident | 92.5 | Very high | 43 Ų | 43 | 53.6 Ų | 53.6 | 36% | 0.355 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -106 | 1.4 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113 | V287 P288 L292 | V287-A290 HydrophobicContact CB-CB 4.35Å; V287-A290 HydrophobicContact CG1-CB 3.87Å; V287-A290 PolarHBondContact O-N 3.07Å; P288-A290 PolarHBondContact O-N 3.21Å; A290-L292 HydrophobicContact CB-CB 4.06Å; A290-L292 PolarHBondContact O-N 3.07Å |
| 291 | N | 87.8 | Confident | 92.3 | Very high | 77 Ų | 77 | 55.5 Ų | 55.5 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 49 | 42.7 | -172.2 | -66.1 | -58.8 | 0 | 0 | 0 | 112.5 | V287 P288 K310 K311 | V287-N291 PolarHBondContact O-N 3.13Å; V287-N291 VanDerWaalsContact O-N 3.14Å; P288-N291 PolarHBondContact O-N 3.21Å; N291-K310 WeakPolarHBondContact O-CA 3.43Å; N291-K311 HydrophobicContact CB-CB 4.19Å; N291-K311 PolarHBondContact O-N 2.87Å |
| 292 | L | 90.5 | Very high | 92.1 | Very high | 40 Ų | 40 | 59.9 Ų | 59.9 | 21% | 0.209 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.9 | 127.3 | -170.4 | -168.2 | 76.3 | 0 | 0 | 0 | 109.7 | V287 A290 L308 E309 K310 | V287-L292 HydrophobicContact CB-CB 4.44Å; V287-L292 PolarHBondContact N-O 2.83Å; V287-L292 PolarHBondContact O-N 3.25Å; A290-L292 HydrophobicContact CB-CB 4.06Å; A290-L292 PolarHBondContact O-N 3.07Å; L292-L308 HydrophobicContact CD1-CD1 3.54Å; L292-L308 HydrophobicContact CD1-CD2 4.13Å; L292-L308 HydrophobicContact CD1-CG 3.75Å; L292-L308 HydrophobicContact CD2-CD1 3.86Å; L292-L308 HydrophobicContact CG-CD1 3.77Å; L292-L308 HydrophobicContact CG-CG 4.48Å; L292-E309 CarbonylContact C-O 3.51Å; L292-E309 WeakPolarHBondContact CA-O 3.34Å; L292-K310 HydrophobicContact CD1-CB 3.78Å; L292-K310 HydrophobicContact CD1-CD 4.12Å; L292-K310 HydrophobicContact CD1-CG 4.04Å |
| 293 | L | 92.6 | Very high | 92 | Very high | 33 Ų | 33 | 61.3 Ų | 61.3 | 17% | 0.173 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115 | 119.7 | 170.8 | -174.6 | 73.8 | 0 | 0 | 0 | 108.1 | Q284 D286 E309 | Q284-L293 HydrophobicContact CG-CD1 3.84Å; D286-L293 HydrophobicContact CB-CD1 3.82Å; L293-E309 HydrophobicContact CB-CB 4.28Å; L293-E309 PolarHBondContact N-O 2.9Å; L293-E309 PolarHBondContact O-N 2.87Å |
| 294 | F | 94.6 | Very high | 92 | Very high | 49 Ų | 49 | 59.5 Ų | 59.5 | 22% | 0.215 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 133 | 177.5 | -179.4 | -91.7 | 0 | 0 | 0 | 109.8 | Y283 Q284 L285 A306 T307 L308 | Y283-F294 AromaticContact CE2-CD1 3.79Å; Y283-F294 HydrophobicContact CE2-CD1 3.79Å; Y283-F294 AromaticContact CE2-CE1 3.63Å; Y283-F294 HydrophobicContact CE2-CE1 3.63Å; Y283-F294 AromaticContact CZ-CE1 3.62Å; Y283-F294 VanDerWaalsContact OH-CE1 3.28Å; Y283-F294 WeakPolarHBondContact OH-CE1 3.39Å; Q284-F294 CarbonylContact C-O 3.55Å; Q284-F294 WeakPolarHBondContact CA-O 3.48Å; L285-F294 HydrophobicContact CB-CB 4.39Å; L285-F294 PolarHBondContact N-O 2.88Å; L285-F294 PolarHBondContact O-N 3.46Å; F294-A306 HydrophobicContact CE2-CB 3.86Å; F294-A306 HydrophobicContact CZ-CB 3.67Å; F294-T307 WeakPolarHBondContact CA-O 3.31Å; F294-L308 HydrophobicContact CB-CD1 4.19Å; F294-L308 HydrophobicContact CD2-CB 4.34Å; F294-L308 HydrophobicContact CD2-CD1 3.65Å; F294-L308 HydrophobicContact CG-CD1 4.4Å |
| 295 | K | 95.8 | Very high | 91.9 | Very high | 39 Ų | 39 | 58.7 Ų | 58.7 | 17% | 0.17 | 31% | 0.31 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 130.5 | 173.8 | -61.3 | -173.7 | -173.2 | -164.8 | 0 | 109 | E72 P75 Y283 Q284 A306 T307 | E72-K295 PolarHBondContact O-NZ 2.94Å; P75-K295 HydrophobicContact CB-CB 3.89Å; Y283-K295 CarbonylContact O-C 3.56Å; Y283-K295 WeakPolarHBondContact O-CA 3.08Å; Q284-K295 HydrophobicContact CB-CG 4.17Å; Q284-K295 HydrophobicContact CG-CG 4.02Å; K295-A306 CarbonylContact O-C 3.56Å; K295-A306 VanDerWaalsContact O-CA 3.22Å; K295-A306 WeakPolarHBondContact O-CA 3.22Å; K295-T307 PolarHBondContact N-O 2.8Å; K295-T307 PolarHBondContact O-N 2.91Å |
| 296 | G | 95.9 | Very high | 92 | Very high | 2 Ų | 2 | 57.2 Ų | 57.2 | 2% | 0.021 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | G282 Y283 G305 | G282-G296 CarbonylContact C-O 3.59Å; G282-G296 VanDerWaalsContact CA-O 3.24Å; G282-G296 WeakPolarHBondContact CA-O 3.06Å; Y283-G296 PolarHBondContact N-O 2.8Å; Y283-G296 PolarHBondContact O-N 3.1Å; G296-G305 CarbonylContact C-O 3.58Å; G296-G305 WeakPolarHBondContact CA-O 3.23Å |
| 297 | T | 96.1 | Very high | 92.1 | Very high | 17 Ų | 17 | 54.4 Ų | 54.4 | 10% | 0.104 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141 | 147.5 | 173.3 | -169.6 | 0 | 0 | 0 | 0 | 111.9 | F74 P75 F281 V304 G305 F324 | F74-T297 WeakPolarHBondContact CD1-OG1 3.37Å; P75-T297 HydrophobicContact CG-CG2 3.4Å; P75-T297 VanDerWaalsContact CG-CG2 3.4Å; F281-T297 CarbonylContact O-C 3.59Å; F281-T297 VanDerWaalsContact O-CA 3.24Å; F281-T297 WeakPolarHBondContact O-CA 3.23Å; F281-T297 PolarHBondContact O-OG1 2.72Å; T297-V304 WeakPolarHBondContact O-CA 3.35Å; T297-G305 PolarHBondContact N-O 3.26Å; T297-G305 PolarHBondContact O-N 2.91Å; T297-F324 HydrophobicContact CG2-CE1 3.94Å |
| 298 | V | 95.5 | Very high | 92.3 | Very high | 74 Ų | 74 | 55 Ų | 55 | 45% | 0.448 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.5 | 127.5 | 172.5 | -178.7 | 0 | 0 | 0 | 0 | 107.7 | F281 V304 | F281-V298 PolarHBondContact N-O 2.96Å; F281-V298 PolarHBondContact O-N 2.87Å; V298-V304 HydrophobicContact CG1-CG1 4.2Å; V298-V304 HydrophobicContact CG2-CG1 4.13Å |
| 299 | D | 93.4 | Very high | 92.6 | Very high | 26 Ų | 26 | 54.9 Ų | 54.9 | 14% | 0.139 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 153.3 | -179.6 | -175 | 34.7 | 0 | 0 | 0 | 111.9 | T278 T279 S280 N301 W302 V303 | T278-D299 WeakPolarHBondContact CG2-OD1 3.29Å; T278-D299 WeakPolarHBondContact CG2-OD2 3.41Å; T279-D299 VanDerWaalsContact C-OD1 3.22Å; S280-D299 PolarHBondContact OG-OD1 2.9Å; D299-N301 PolarHBondContact O-N 3.38Å; D299-N301 VanDerWaalsContact O-N 3.08Å; D299-N301 WeakPolarHBondContact OD2-CB 3.34Å; D299-N301 PolarHBondContact OD2-ND2 3.04Å; D299-W302 PolarHBondContact O-N 2.98Å; D299-V303 HydrophobicContact CB-CB 4.41Å; D299-V303 PolarHBondContact N-O 2.86Å |
| 300 | S | 93 | Very high | 93.1 | Very high | 56 Ų | 56 | 49.7 Ų | 49.7 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19 | 177.6 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | T279 W302 | T279-S300 PolarHBondContact N-OG 3.15Å; T279-S300 PolarHBondContact O-N 2.79Å; S300-W302 PolarHBondContact O-N 3.18Å |
| 301 | N | 90.8 | Very high | 93.3 | Very high | 63 Ų | 63 | 53.8 Ų | 53.8 | 34% | 0.337 | 27% | 0.273 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.6 | 11.5 | 173.1 | -67 | -57.1 | 0 | 0 | 0 | 114.2 | D299 V303 | D299-N301 PolarHBondContact O-N 3.38Å; D299-N301 VanDerWaalsContact O-N 3.08Å; D299-N301 WeakPolarHBondContact OD2-CB 3.34Å; D299-N301 PolarHBondContact OD2-ND2 3.04Å; N301-V303 HydrophobicContact CB-CG2 4.26Å; N301-V303 PolarHBondContact O-N 3.14Å |
| 302 | W | 91.9 | Very high | 93.3 | Very high | 182 Ų | 182 | 53.7 Ų | 53.7 | 69% | 0.689 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.9 | 33.8 | -175.6 | -61.9 | 83.7 | 0 | 0 | 0 | 113.1 | D299 S300 H327 | D299-W302 PolarHBondContact O-N 2.98Å; S300-W302 PolarHBondContact O-N 3.18Å; W302-H327 HydrophobicContact CB-CB 4.17Å; W302-H327 PolarHBondContact O-N 3.09Å |
| 303 | V | 93.1 | Very high | 92.9 | Very high | 31 Ų | 31 | 57 Ų | 57 | 19% | 0.188 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 123 | 171.3 | -175.8 | 0 | 0 | 0 | 0 | 107.7 | D299 N301 L325 N326 | D299-V303 HydrophobicContact CB-CB 4.41Å; D299-V303 PolarHBondContact N-O 2.86Å; N301-V303 HydrophobicContact CB-CG2 4.26Å; N301-V303 PolarHBondContact O-N 3.14Å; V303-L325 WeakPolarHBondContact CA-O 3.5Å; V303-N326 HydrophobicContact CG2-CB 4.06Å; V303-N326 WeakPolarHBondContact CG2-ND2 3.3Å |
| 304 | V | 94.9 | Very high | 92.4 | Very high | 47 Ų | 47 | 61.5 Ų | 61.5 | 29% | 0.285 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 139.9 | 172.7 | -60.7 | 0 | 0 | 0 | 0 | 108.7 | T297 V298 F324 L325 | T297-V304 WeakPolarHBondContact O-CA 3.35Å; V298-V304 HydrophobicContact CG1-CG1 4.2Å; V298-V304 HydrophobicContact CG2-CG1 4.13Å; V304-F324 CarbonylContact O-C 3.55Å; V304-F324 WeakPolarHBondContact O-CA 3.28Å; V304-L325 HydrophobicContact CG2-CB 3.88Å; V304-L325 HydrophobicContact CG2-CD2 4.49Å; V304-L325 PolarHBondContact N-O 2.85Å; V304-L325 PolarHBondContact O-N 3.44Å |
| 305 | G | 94.6 | Very high | 91.8 | Very high | 8 Ų | 8 | 64.6 Ų | 64.6 | 8% | 0.082 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.2 | 148 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | G296 T297 A323 | G296-G305 CarbonylContact C-O 3.58Å; G296-G305 WeakPolarHBondContact CA-O 3.23Å; T297-G305 PolarHBondContact N-O 3.26Å; T297-G305 PolarHBondContact O-N 2.91Å; G305-A323 CarbonylContact C-O 3.55Å; G305-A323 VanDerWaalsContact CA-O 3.28Å; G305-A323 WeakPolarHBondContact CA-O 3.47Å |
| 306 | A | 95.1 | Very high | 91.3 | Very high | 30 Ų | 30 | 66.3 Ų | 66.3 | 25% | 0.248 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 143.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111 | F294 K295 G322 A323 | F294-A306 HydrophobicContact CE2-CB 3.86Å; F294-A306 HydrophobicContact CZ-CB 3.67Å; K295-A306 CarbonylContact O-C 3.56Å; K295-A306 VanDerWaalsContact O-CA 3.22Å; K295-A306 WeakPolarHBondContact O-CA 3.22Å; A306-G322 CarbonylContact O-C 3.57Å; A306-G322 WeakPolarHBondContact O-CA 3.34Å; A306-A323 PolarHBondContact N-O 3.19Å; A306-A323 PolarHBondContact O-N 3.46Å |
| 307 | T | 94.6 | Very high | 91 | Very high | 6 Ų | 6 | 68.5 Ų | 68.5 | 4% | 0.037 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 131.1 | 170.9 | -55.7 | 0 | 0 | 0 | 0 | 109.5 | P75 M76 M78 F294 K295 E309 L321 | P75-T307 VanDerWaalsContact CB-OG1 3.26Å; P75-T307 WeakPolarHBondContact CB-OG1 3.26Å; M76-T307 PolarHBondContact O-OG1 3.11Å; M78-T307 HydrophobicContact SD-CG2 4.3Å; F294-T307 WeakPolarHBondContact CA-O 3.31Å; K295-T307 PolarHBondContact N-O 2.8Å; K295-T307 PolarHBondContact O-N 2.91Å; T307-E309 HydrophobicContact CG2-CG 4.35Å; T307-L321 CarbonylContact C-O 3.58Å; T307-L321 WeakPolarHBondContact CA-O 3.5Å |
| 308 | L | 94.1 | Very high | 90.8 | Very high | 54 Ų | 54 | 69.3 Ų | 69.3 | 28% | 0.283 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 115.1 | 177.4 | -174.9 | 84.9 | 0 | 0 | 0 | 108.5 | L292 F294 A320 L321 | L292-L308 HydrophobicContact CD1-CD1 3.54Å; L292-L308 HydrophobicContact CD1-CD2 4.13Å; L292-L308 HydrophobicContact CD1-CG 3.75Å; L292-L308 HydrophobicContact CD2-CD1 3.86Å; L292-L308 HydrophobicContact CG-CD1 3.77Å; L292-L308 HydrophobicContact CG-CG 4.48Å; F294-L308 HydrophobicContact CB-CD1 4.19Å; F294-L308 HydrophobicContact CD2-CB 4.34Å; F294-L308 HydrophobicContact CD2-CD1 3.65Å; F294-L308 HydrophobicContact CG-CD1 4.4Å; L308-A320 CarbonylContact O-C 3.52Å; L308-A320 WeakPolarHBondContact O-CA 3.41Å; L308-L321 HydrophobicContact CB-CB 4.4Å; L308-L321 HydrophobicContact CD2-CD1 4.3Å; L308-L321 PolarHBondContact N-O 2.97Å; L308-L321 PolarHBondContact O-N 3.33Å |
| 309 | E | 93.3 | Very high | 90.6 | Very high | 73 Ų | 73 | 68.5 Ų | 68.5 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 127.2 | 172.5 | -62.9 | -177.8 | 178.7 | 0 | 0 | 109.6 | L292 L293 T307 T318 L319 A320 | L292-E309 CarbonylContact C-O 3.51Å; L292-E309 WeakPolarHBondContact CA-O 3.34Å; L293-E309 HydrophobicContact CB-CB 4.28Å; L293-E309 PolarHBondContact N-O 2.9Å; L293-E309 PolarHBondContact O-N 2.87Å; T307-E309 HydrophobicContact CG2-CG 4.35Å; E309-T318 HydrophobicContact CB-CG2 4.48Å; E309-L319 CarbonylContact C-O 3.56Å; E309-L319 WeakPolarHBondContact CA-O 3.09Å; E309-A320 HydrophobicContact CG-CB 4Å |
| 310 | K | 92.6 | Very high | 90.6 | Very high | 93 Ų | 93 | 67.7 Ų | 67.7 | 40% | 0.404 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 122.6 | 179.1 | -173.5 | 167.1 | -175.1 | 164.5 | 0 | 110.3 | N291 L292 L312 T318 L319 | N291-K310 WeakPolarHBondContact O-CA 3.43Å; L292-K310 HydrophobicContact CD1-CB 3.78Å; L292-K310 HydrophobicContact CD1-CD 4.12Å; L292-K310 HydrophobicContact CD1-CG 4.04Å; K310-L312 HydrophobicContact CD-CD2 4.31Å; K310-L312 HydrophobicContact CG-CD2 4.3Å; K310-T318 WeakPolarHBondContact O-CA 3.39Å; K310-L319 PolarHBondContact N-O 2.96Å; K310-L319 PolarHBondContact O-N 2.99Å |
| 311 | K | 89.7 | Confident | 90.7 | Very high | 129 Ų | 129 | 68.6 Ų | 68.6 | 56% | 0.561 | 36% | 0.364 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 125.5 | 172.6 | -57.8 | -179.7 | 177.6 | 177.3 | 0 | 109.5 | N291 T318 | N291-K311 HydrophobicContact CB-CB 4.19Å; N291-K311 PolarHBondContact O-N 2.87Å; K311-T318 HydrophobicContact CG-CG2 4.08Å |
| 312 | L | 86.6 | Confident | 90.8 | Very high | 76 Ų | 76 | 65.8 Ų | 65.8 | 40% | 0.398 | 35% | 0.35 | S | S | . | . | trans | -101.8 | 76.2 | -172 | -67.1 | 169.6 | 0 | 0 | 0 | 111.5 | K310 L315 L317 L319 | K310-L312 HydrophobicContact CD-CD2 4.31Å; K310-L312 HydrophobicContact CG-CD2 4.3Å; L312-L315 CarbonylContact C-O 3.55Å; L312-L315 CarbonylContact O-C 3.58Å; L312-L315 PolarHBondContact O-N 3.09Å; L312-L317 HydrophobicContact CB-CB 4.43Å; L312-L317 PolarHBondContact N-O 3.02Å; L312-L319 HydrophobicContact CD1-CB 4.38Å | ||
| 313 | V | 83.1 | Confident | 90.9 | Very high | 110 Ų | 110 | 59 Ų | 59 | 67% | 0.667 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | 135.7 | 172.4 | -172.9 | 0 | 0 | 0 | 0 | 109.8 | ||
| 314 | P | 81.1 | Confident | 90.9 | Very high | 127 Ų | 127 | 58 Ų | 58 | 83% | 0.825 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -91.8 | -2.8 | 14.4 | 35.9 | -36 | 0 | 0 | 0 | 116.2 | ||
| 315 | L | 83.6 | Confident | 90.8 | Very high | 113 Ų | 113 | 58.5 Ų | 58.5 | 59% | 0.592 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -84.4 | 145.3 | 179.9 | -61 | 166.5 | 0 | 0 | 0 | 109.9 | L312 L317 | L312-L315 CarbonylContact C-O 3.55Å; L312-L315 CarbonylContact O-C 3.58Å; L312-L315 PolarHBondContact O-N 3.09Å; L315-L317 HydrophobicContact CB-CD1 3.38Å; L315-L317 HydrophobicContact CD1-CD1 4.2Å; L315-L317 HydrophobicContact CG-CD1 4.31Å; L315-L317 PolarHBondContact O-N 3.1Å |
| 316 | P | 84.8 | Confident | 90.7 | Very high | 76 Ų | 76 | 59.6 Ų | 59.6 | 49% | 0.494 | 33% | 0.331 | S | S | . | . | S | Bend | trans | -76.7 | 56.2 | 175.6 | 33.6 | -36.4 | 0 | 0 | 0 | 110.8 | G341 | P316-G341 WeakPolarHBondContact CB-O 3.26Å; P316-G341 PolarHBondContact O-N 2.94Å; P316-G341 VanDerWaalsContact O-N 3.13Å |
| 317 | L | 89.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 62.3 Ų | 62.3 | 25% | 0.251 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 130.8 | 178.7 | -81.7 | 90.6 | 0 | 0 | 0 | 110.2 | L312 L315 V338 T339 I340 | L312-L317 HydrophobicContact CB-CB 4.43Å; L312-L317 PolarHBondContact N-O 3.02Å; L315-L317 HydrophobicContact CB-CD1 3.38Å; L315-L317 HydrophobicContact CD1-CD1 4.2Å; L315-L317 HydrophobicContact CG-CD1 4.31Å; L315-L317 PolarHBondContact O-N 3.1Å; L317-V338 HydrophobicContact CD2-CG1 4.18Å; L317-T339 WeakPolarHBondContact CA-O 3.37Å; L317-I340 HydrophobicContact CD2-CG1 4.4Å; L317-I340 HydrophobicContact CG-CG1 4.21Å |
| 318 | T | 91.3 | Very high | 90.2 | Very high | 33 Ų | 33 | 71.3 Ų | 71.3 | 20% | 0.202 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 119.1 | 169.7 | -53.6 | 0 | 0 | 0 | 0 | 108.9 | E309 K310 K311 T339 | E309-T318 HydrophobicContact CB-CG2 4.48Å; K310-T318 WeakPolarHBondContact O-CA 3.39Å; K311-T318 HydrophobicContact CG-CG2 4.08Å; T318-T339 PolarHBondContact N-O 2.98Å; T318-T339 PolarHBondContact O-N 3.25Å |
| 319 | L | 92.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 75.7 Ų | 75.7 | 30% | 0.298 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.8 | 123.6 | 173 | -179.1 | 70.4 | 0 | 0 | 0 | 108.8 | E309 K310 L312 L321 V338 | E309-L319 CarbonylContact C-O 3.56Å; E309-L319 WeakPolarHBondContact CA-O 3.09Å; K310-L319 PolarHBondContact N-O 2.96Å; K310-L319 PolarHBondContact O-N 2.99Å; L312-L319 HydrophobicContact CD1-CB 4.38Å; L319-L321 HydrophobicContact CD1-CD2 4.48Å; L319-L321 HydrophobicContact CD2-CD1 4.47Å; L319-L321 HydrophobicContact CD2-CG 4.42Å; L319-L321 HydrophobicContact CG-CD2 4.42Å; L319-L321 HydrophobicContact CG-CG 4.38Å; L319-V338 HydrophobicContact CD1-CG2 3.96Å |
| 320 | A | 93.4 | Very high | 89.9 | Confident | 9 Ų | 9 | 78.9 Ų | 78.9 | 7% | 0.074 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 132.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.3 | M78 L308 E309 F336 G337 | M78-A320 HydrophobicContact CE-CB 4.07Å; M78-A320 HydrophobicContact SD-CB 4.01Å; L308-A320 CarbonylContact O-C 3.52Å; L308-A320 WeakPolarHBondContact O-CA 3.41Å; E309-A320 HydrophobicContact CG-CB 4Å; A320-F336 CarbonylContact O-C 3.52Å; A320-F336 VanDerWaalsContact O-CA 3.25Å; A320-F336 WeakPolarHBondContact O-CA 3.36Å; A320-G337 PolarHBondContact N-O 3.23Å; A320-G337 PolarHBondContact O-N 2.9Å |
| 321 | L | 93.6 | Very high | 89.8 | Confident | 76 Ų | 76 | 81 Ų | 81 | 40% | 0.398 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 124.8 | 174.1 | -60.8 | 174.3 | 0 | 0 | 0 | 107.9 | T307 L308 L319 F336 | T307-L321 CarbonylContact C-O 3.58Å; T307-L321 WeakPolarHBondContact CA-O 3.5Å; L308-L321 HydrophobicContact CB-CB 4.4Å; L308-L321 HydrophobicContact CD2-CD1 4.3Å; L308-L321 PolarHBondContact N-O 2.97Å; L308-L321 PolarHBondContact O-N 3.33Å; L319-L321 HydrophobicContact CD1-CD2 4.48Å; L319-L321 HydrophobicContact CD2-CD1 4.47Å; L319-L321 HydrophobicContact CD2-CG 4.42Å; L319-L321 HydrophobicContact CG-CD2 4.42Å; L319-L321 HydrophobicContact CG-CG 4.38Å; L321-F336 HydrophobicContact CD2-CB 3.56Å |
| 322 | G | 94 | Very high | 89.8 | Confident | 4 Ų | 4 | 80.7 Ų | 80.7 | 4% | 0.041 | 42% | 0.416 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 137.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | A306 C334 G335 | A306-G322 CarbonylContact O-C 3.57Å; A306-G322 WeakPolarHBondContact O-CA 3.34Å; G322-C334 VanDerWaalsContact O-CA 3.28Å; G322-C334 WeakPolarHBondContact O-CA 3.26Å; G322-G335 PolarHBondContact N-O 3.29Å; G322-G335 PolarHBondContact O-N 3.45Å |
| 323 | A | 93.5 | Very high | 89.9 | Confident | 39 Ų | 39 | 80.4 Ų | 80.4 | 32% | 0.322 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.8 | 131.8 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | G305 A306 F332 Q333 | G305-A323 CarbonylContact C-O 3.55Å; G305-A323 VanDerWaalsContact CA-O 3.28Å; G305-A323 WeakPolarHBondContact CA-O 3.47Å; A306-A323 PolarHBondContact N-O 3.19Å; A306-A323 PolarHBondContact O-N 3.46Å; A323-F332 HydrophobicContact CB-CE2 4.06Å; A323-F332 HydrophobicContact CB-CZ 4.16Å; A323-Q333 CarbonylContact C-O 3.6Å; A323-Q333 WeakPolarHBondContact CA-O 3.12Å |
| 324 | F | 92.9 | Very high | 90.3 | Very high | 11 Ų | 11 | 78.5 Ų | 78.5 | 5% | 0.048 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 131.9 | 178.3 | -74.3 | -99.7 | 0 | 0 | 0 | 109.4 | P75 Q77 T297 V304 F332 Q333 | P75-F324 HydrophobicContact CB-CZ 4.05Å; P75-F324 HydrophobicContact CG-CE1 4.4Å; P75-F324 HydrophobicContact CG-CZ 3.96Å; Q77-F324 VanDerWaalsContact CA-CE2 3.45Å; Q77-F324 HydrophobicContact CB-CD2 4.35Å; Q77-F324 HydrophobicContact CB-CE2 4.1Å; Q77-F324 HydrophobicContact CB-CZ 4.24Å; Q77-F324 HydrophobicContact CG-CD1 3.7Å; Q77-F324 HydrophobicContact CG-CD2 3.85Å; Q77-F324 HydrophobicContact CG-CE1 3.44Å; Q77-F324 VanDerWaalsContact CG-CE1 3.44Å; Q77-F324 HydrophobicContact CG-CE2 3.65Å; Q77-F324 HydrophobicContact CG-CG 3.89Å; Q77-F324 HydrophobicContact CG-CZ 3.42Å; Q77-F324 VanDerWaalsContact CG-CZ 3.42Å; T297-F324 HydrophobicContact CG2-CE1 3.94Å; V304-F324 CarbonylContact O-C 3.55Å; V304-F324 WeakPolarHBondContact O-CA 3.28Å; F324-F332 WeakPolarHBondContact O-CA 3.26Å; F324-F332 WeakPolarHBondContact O-CD2 3.26Å; F324-Q333 PolarHBondContact N-O 2.88Å; F324-Q333 PolarHBondContact O-N 3.24Å |
| 325 | L | 92.8 | Very high | 90.8 | Very high | 56 Ų | 56 | 72.8 Ų | 72.8 | 29% | 0.293 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 120.9 | -179.2 | -178.6 | 66.5 | 0 | 0 | 0 | 108.9 | V303 V304 H327 F332 | V303-L325 WeakPolarHBondContact CA-O 3.5Å; V304-L325 HydrophobicContact CG2-CB 3.88Å; V304-L325 HydrophobicContact CG2-CD2 4.49Å; V304-L325 PolarHBondContact N-O 2.85Å; V304-L325 PolarHBondContact O-N 3.44Å; L325-H327 WeakPolarHBondContact CD2-CE1 3.42Å; L325-F332 HydrophobicContact CB-CD2 4.22Å; L325-F332 HydrophobicContact CD1-CB 3.96Å; L325-F332 HydrophobicContact CD1-CD2 3.99Å; L325-F332 HydrophobicContact CD1-CG 4.47Å |
| 326 | N | 92.4 | Very high | 91.2 | Very high | 31 Ų | 31 | 72.1 Ų | 72.1 | 17% | 0.166 | 36% | 0.36 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.3 | 106.9 | 170 | -174 | -45.4 | 0 | 0 | 0 | 108.8 | V303 R328 K329 N330 K331 | V303-N326 HydrophobicContact CG2-CB 4.06Å; V303-N326 WeakPolarHBondContact CG2-ND2 3.3Å; N326-R328 PolarHBondContact OD1-N 2.68Å; N326-K329 PolarHBondContact OD1-N 3.26Å; N326-N330 VanDerWaalsContact O-CA 3.26Å; N326-N330 WeakPolarHBondContact O-CA 3.45Å; N326-N330 PolarHBondContact O-N 2.94Å; N326-K331 HydrophobicContact CB-CB 4.5Å; N326-K331 PolarHBondContact N-O 3.23Å; N326-K331 PolarHBondContact O-N 3.36Å |
| 327 | H | 90.6 | Very high | 91.6 | Very high | 88 Ų | 88 | 68.6 Ų | 68.6 | 41% | 0.407 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70 | -31.3 | -178.9 | -71.4 | -79 | 0 | 0 | 0 | 113 | W302 L325 N330 | W302-H327 HydrophobicContact CB-CB 4.17Å; W302-H327 PolarHBondContact O-N 3.09Å; L325-H327 WeakPolarHBondContact CD2-CE1 3.42Å; H327-N330 PolarHBondContact O-OD1 3.03Å |
| 328 | R | 89.3 | Confident | 91.8 | Very high | 194 Ų | 194 | 68 Ų | 68 | 73% | 0.732 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | -37.8 | -179.1 | -171.9 | 175.6 | 179.9 | -176.5 | 1 | 112.3 | N326 | N326-R328 PolarHBondContact OD1-N 2.68Š|
| 329 | K | 90.8 | Very high | 91.8 | Very high | 146 Ų | 146 | 68.7 Ų | 68.7 | 64% | 0.635 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -3.4 | -178.6 | -64 | -178.9 | 180 | 174.8 | 0 | 113.2 | N326 K331 | N326-K329 PolarHBondContact OD1-N 3.26Å; K329-K331 HydrophobicContact CB-CD 4.5Å; K329-K331 HydrophobicContact CB-CG 4.17Å; K329-K331 PolarHBondContact O-N 3.44Å |
| 330 | N | 90.4 | Very high | 91.7 | Very high | 140 Ų | 140 | 68.8 Ų | 68.8 | 75% | 0.749 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.3 | 42.7 | -172 | -66.5 | -43.6 | 0 | 0 | 0 | 112.8 | N326 H327 | N326-N330 VanDerWaalsContact O-CA 3.26Å; N326-N330 WeakPolarHBondContact O-CA 3.45Å; N326-N330 PolarHBondContact O-N 2.94Å; H327-N330 PolarHBondContact O-OD1 3.03Å |
| 331 | K | 89.6 | Confident | 90.8 | Very high | 137 Ų | 137 | 72.6 Ų | 72.6 | 60% | 0.596 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 124.9 | 177.3 | -70.8 | -169.4 | 176 | -170 | 0 | 109.5 | N326 K329 | N326-K331 HydrophobicContact CB-CB 4.5Å; N326-K331 PolarHBondContact N-O 3.23Å; N326-K331 PolarHBondContact O-N 3.36Å; K329-K331 HydrophobicContact CB-CD 4.5Å; K329-K331 HydrophobicContact CB-CG 4.17Å; K329-K331 PolarHBondContact O-N 3.44Å |
| 332 | F | 89.4 | Confident | 90.7 | Very high | 123 Ų | 123 | 72.4 Ų | 72.4 | 54% | 0.539 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110 | 135.1 | 174.4 | 179 | -105 | 0 | 0 | 0 | 109.5 | A323 F324 L325 C334 | A323-F332 HydrophobicContact CB-CE2 4.06Å; A323-F332 HydrophobicContact CB-CZ 4.16Å; F324-F332 WeakPolarHBondContact O-CA 3.26Å; F324-F332 WeakPolarHBondContact O-CD2 3.26Å; L325-F332 HydrophobicContact CB-CD2 4.22Å; L325-F332 HydrophobicContact CD1-CB 3.96Å; L325-F332 HydrophobicContact CD1-CD2 3.99Å; L325-F332 HydrophobicContact CD1-CG 4.47Å; F332-C334 HydrophobicContact CE1-CB 3.6Å; F332-C334 HydrophobicContact CZ-CB 3.7Å |
| 333 | Q | 89.4 | Confident | 90.5 | Very high | 71 Ų | 71 | 76 Ų | 76 | 33% | 0.332 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 130.6 | 175.3 | -69.5 | 176.7 | -13.6 | 0 | 0 | 107.8 | A323 F324 | A323-Q333 CarbonylContact C-O 3.6Å; A323-Q333 WeakPolarHBondContact CA-O 3.12Å; F324-Q333 PolarHBondContact N-O 2.88Å; F324-Q333 PolarHBondContact O-N 3.24Å |
| 334 | C | 92.1 | Very high | 90.3 | Very high | 70 Ų | 70 | 78.1 Ų | 78.1 | 47% | 0.473 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 156.4 | 172.9 | 65.3 | 0 | 0 | 0 | 0 | 110.6 | M78 G80 G322 F332 | M78-C334 CarbonylContact O-C 3.55Å; G80-C334 PolarHBondContact N-O 3.48Å; G322-C334 VanDerWaalsContact O-CA 3.28Å; G322-C334 WeakPolarHBondContact O-CA 3.26Å; F332-C334 HydrophobicContact CE1-CB 3.6Å; F332-C334 HydrophobicContact CZ-CB 3.7Å |
| 335 | G | 91.2 | Very high | 90.2 | Very high | 7 Ų | 7 | 82 Ų | 82 | 7% | 0.072 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 157.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | M78 G80 G322 | M78-G335 PolarHBondContact O-N 3.31Å; G80-G335 CarbonylContact O-C 3.58Å; G80-G335 WeakPolarHBondContact O-CA 3.45Å; G322-G335 PolarHBondContact N-O 3.29Å; G322-G335 PolarHBondContact O-N 3.45Å |
| 336 | F | 93 | Very high | 90 | Very high | 98 Ų | 98 | 83.6 Ų | 83.6 | 43% | 0.43 | 43% | 0.43 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 142 | 169.7 | 63.3 | -87.7 | 0 | 0 | 0 | 109.8 | G80 V81 R82 A320 L321 | G80-F336 PolarHBondContact O-N 3.47Å; V81-F336 WeakPolarHBondContact CA-O 3.14Å; V81-F336 HydrophobicContact CB-CE2 4.23Å; V81-F336 HydrophobicContact CB-CZ 4.11Å; V81-F336 HydrophobicContact CG1-CD2 4.03Å; V81-F336 HydrophobicContact CG1-CE2 3.46Å; V81-F336 VanDerWaalsContact CG1-CE2 3.46Å; V81-F336 HydrophobicContact CG1-CZ 3.78Å; V81-F336 HydrophobicContact CG2-CD1 4.2Å; V81-F336 HydrophobicContact CG2-CE1 3.46Å; V81-F336 VanDerWaalsContact CG2-CE1 3.46Å; V81-F336 HydrophobicContact CG2-CE2 3.87Å; V81-F336 HydrophobicContact CG2-CZ 3.26Å; R82-F336 PolarHBondContact N-O 2.83Å; A320-F336 CarbonylContact O-C 3.52Å; A320-F336 VanDerWaalsContact O-CA 3.25Å; A320-F336 WeakPolarHBondContact O-CA 3.36Å; L321-F336 HydrophobicContact CD2-CB 3.56Å |
| 337 | G | 92.2 | Very high | 89.8 | Confident | 2 Ų | 2 | 87.1 Ų | 87.1 | 2% | 0.021 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 141.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | R82 A320 | R82-G337 CarbonylContact O-C 3.54Å; R82-G337 WeakPolarHBondContact O-CA 3.43Å; A320-G337 PolarHBondContact N-O 3.23Å; A320-G337 PolarHBondContact O-N 2.9Å |
| 338 | V | 93.1 | Very high | 89.8 | Confident | 35 Ų | 35 | 87.1 Ų | 87.1 | 21% | 0.212 | 45% | 0.45 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 122.6 | 168.5 | -178.1 | 0 | 0 | 0 | 0 | 106.9 | R82 L83 V84 L317 L319 I340 | R82-V338 PolarHBondContact O-N 3.17Å; L83-V338 CarbonylContact C-O 3.59Å; L83-V338 WeakPolarHBondContact CA-O 3.18Å; L83-V338 HydrophobicContact CD1-CB 3.91Å; L83-V338 HydrophobicContact CD1-CG1 4.13Å; V84-V338 PolarHBondContact N-O 2.7Å; L317-V338 HydrophobicContact CD2-CG1 4.18Å; L319-V338 HydrophobicContact CD1-CG2 3.96Å; V338-I340 HydrophobicContact CG1-CG1 4.12Å |
| 339 | T | 91.5 | Very high | 89.8 | Confident | 48 Ų | 48 | 78.8 Ų | 78.8 | 29% | 0.294 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 124.6 | 172.7 | -56.1 | 0 | 0 | 0 | 0 | 108.7 | V84 L317 T318 | V84-T339 HydrophobicContact CB-CG2 4.16Å; V84-T339 HydrophobicContact CG1-CG2 4.31Å; V84-T339 CarbonylContact O-C 3.58Å; V84-T339 VanDerWaalsContact O-CA 3.31Å; V84-T339 WeakPolarHBondContact O-CA 3.08Å; L317-T339 WeakPolarHBondContact CA-O 3.37Å; T318-T339 PolarHBondContact N-O 2.98Å; T318-T339 PolarHBondContact O-N 3.25Å |
| 340 | I | 90.9 | Very high | 89.8 | Confident | 59 Ų | 59 | 73.3 Ų | 73.3 | 30% | 0.303 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 125.4 | 177.6 | -53 | 177.6 | 0 | 0 | 0 | 106.8 | L83 V84 V85 N86 L317 V338 | L83-I340 HydrophobicContact CD1-CD1 4.06Å; L83-I340 HydrophobicContact CD1-CG1 4.38Å; V84-I340 PolarHBondContact O-N 2.89Å; V85-I340 CarbonylContact C-O 3.58Å; V85-I340 WeakPolarHBondContact CA-O 3.31Å; V85-I340 HydrophobicContact CG1-CB 4.45Å; V85-I340 HydrophobicContact CG2-CB 4.44Å; V85-I340 HydrophobicContact CG2-CD1 4.25Å; N86-I340 PolarHBondContact N-O 2.89Å; L317-I340 HydrophobicContact CD2-CG1 4.4Å; L317-I340 HydrophobicContact CG-CG1 4.21Å; V338-I340 HydrophobicContact CG1-CG1 4.12Å |
| 341 | G | 74.3 | Confident | 89.7 | Confident | 89 Ų | 89 | 67.2 Ų | 67.2 | 92% | 0.918 | 38% | 0.381 | S | S | * | . | trans | 169.6 | 0 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.1 | N86 P316 | N86-G341 WeakPolarHBondContact O-CA 3.46Å; P316-G341 WeakPolarHBondContact CB-O 3.26Å; P316-G341 PolarHBondContact O-N 2.94Å; P316-G341 VanDerWaalsContact O-N 3.13Å |
Retrieved 341 of 341 residues in 293.2 ms
(Link to these results)