| 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 | 33.3 | Very low | 35.9 | Very low | 227 Ų | 227 | 146.6 Ų | 146.6 | 100% | 1.118 | 83% | 0.828 | S | S | * | * | 0 | 131.4 | 0 | -73.6 | 167.2 | 88.9 | 0 | 0 | 107.2 | |||||
| 2 | T | 34.8 | Very low | 36.3 | Very low | 129 Ų | 129 | 148.8 Ų | 148.8 | 79% | 0.791 | 83% | 0.834 | S | S | * | * | trans | 59 | 139.8 | 163.6 | 57.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 3 | Q | 30.7 | Very low | 36.4 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 73% | 0.729 | 83% | 0.833 | S | S | * | * | cis | -177.1 | 146.6 | 2.3 | -108.3 | -168.9 | -20.6 | 0 | 0 | 104.2 | ||||
| 4 | F | 36.8 | Very low | 36.6 | Very low | 159 Ų | 159 | 149.4 Ų | 149.4 | 70% | 0.697 | 83% | 0.826 | S | S | * | * | trans | 48.1 | 129.6 | 141.7 | -71.1 | -100.1 | 0 | 0 | 0 | 122.3 | ||||
| 5 | K | 33.5 | Very low | 36.7 | Very low | 201 Ų | 201 | 151.2 Ų | 151.2 | 87% | 0.874 | 82% | 0.822 | S | S | * | * | -172.9 | 103.1 | 124 | -100.8 | 161.6 | -179.4 | -179 | 0 | 107.5 | |||||
| 6 | M | 35.6 | Very low | 36.9 | Very low | 167 Ų | 167 | 148.1 Ų | 148.1 | 82% | 0.823 | 82% | 0.815 | S | S | * | * | 37.9 | 105.9 | 87 | -68.7 | -63.2 | 159.6 | 0 | 0 | 113.3 | |||||
| 7 | A | 39.6 | Very low | 37.4 | Very low | 105 Ų | 105 | 153.8 Ų | 153.8 | 87% | 0.868 | 82% | 0.822 | S | S | * | * | trans | -123.7 | 141.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 8 | A | 39.8 | Very low | 37.5 | Very low | 101 Ų | 101 | 151 Ų | 151 | 84% | 0.835 | 82% | 0.824 | S | S | * | * | trans | -86.4 | 163.3 | -157.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 9 | L | 39.3 | Very low | 37.8 | Very low | 174 Ų | 174 | 146.7 Ų | 146.7 | 91% | 0.911 | 82% | 0.818 | S | S | * | * | trans | -54 | 148.4 | 159.8 | -83 | 116.1 | 0 | 0 | 0 | 113.4 | ||||
| 10 | A | 34.9 | Very low | 37.7 | Very low | 87 Ų | 87 | 147.4 Ų | 147.4 | 72% | 0.719 | 82% | 0.819 | S | S | * | * | trans | -176.3 | 104.6 | 138.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 11 | S | 36.7 | Very low | 38 | Very low | 107 Ų | 107 | 147.7 Ų | 147.7 | 75% | 0.748 | 82% | 0.819 | S | S | * | * | 74.9 | 119.7 | 99.5 | 73.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 12 | L | 40.4 | Very low | 38.6 | Very low | 172 Ų | 172 | 143.7 Ų | 143.7 | 90% | 0.901 | 81% | 0.806 | S | S | * | * | -171.9 | 126 | 110.4 | -149.9 | 72.7 | 0 | 0 | 0 | 110.4 | |||||
| 13 | M | 37.6 | Very low | 39.4 | Very low | 166 Ų | 166 | 142 Ų | 142 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -80.9 | 167.7 | 169.4 | -79 | -79 | 178.4 | 0 | 0 | 111.4 | ||||
| 14 | L | 39 | Very low | 40.6 | Very low | 140 Ų | 140 | 140 Ų | 140 | 73% | 0.733 | 80% | 0.803 | S | S | * | * | trans | 95.5 | 130.4 | 173.9 | -75.1 | 61.1 | 0 | 0 | 0 | 113.6 | ||||
| 15 | K | 38.2 | Very low | 41.2 | Very low | 177 Ų | 177 | 139.7 Ų | 139.7 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | cis | -167 | 138.2 | 13 | -119.2 | 161.8 | -172.8 | -172.7 | 0 | 109.4 | ||||
| 16 | S | 40.4 | Very low | 42.1 | Very low | 102 Ų | 102 | 134.8 Ų | 134.8 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | 31.4 | 125.6 | 137.6 | 124.7 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 17 | R | 45.9 | Very low | 42.9 | Very low | 245 Ų | 245 | 135.4 Ų | 135.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | -169.1 | 149 | 110.3 | -103.6 | 174.2 | 179.2 | -166.6 | -0.8 | 111.7 | |||||
| 18 | A | 38.1 | Very low | 43.6 | Very low | 103 Ų | 103 | 137.9 Ų | 137.9 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | trans | -72.6 | 142.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 19 | G | 43.2 | Very low | 44.4 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 26.6 | 137.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 20 | L | 36.8 | Very low | 45.4 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 84% | 0.838 | 78% | 0.776 | S | S | * | * | -167.6 | 125.9 | 119.3 | -120.1 | 107.5 | 0 | 0 | 0 | 112.2 | |||||
| 21 | L | 42.6 | Very low | 46.7 | Very low | 154 Ų | 154 | 138.7 Ų | 138.7 | 81% | 0.806 | 77% | 0.773 | S | S | * | * | trans | 41.1 | 110.4 | 145.1 | -53.3 | 178.8 | 0 | 0 | 0 | 120.9 | ||||
| 22 | V | 47.2 | Very low | 48.2 | Very low | 142 Ų | 142 | 138.1 Ų | 138.1 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -114.5 | 128.6 | 145.9 | 168 | 0 | 0 | 0 | 0 | 108.3 | S24 | V22-S24 PolarHBondContact O-N 3.4Š| ||
| 23 | S | 51.2 | Low | 49.3 | Very low | 94 Ų | 94 | 140.9 Ų | 140.9 | 66% | 0.657 | 76% | 0.763 | S | S | * | * | trans | -52.5 | 125.3 | 178.1 | 38.3 | 0 | 0 | 0 | 0 | 112.3 | E25 | S23-E25 VanDerWaalsContact C-N 3.26Å; S23-E25 PolarHBondContact O-N 3.04Å | ||
| 24 | S | 55.3 | Low | 50.8 | Low | 115 Ų | 115 | 141.4 Ų | 141.4 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | -72.2 | 83.5 | 164.6 | 58.4 | 0 | 0 | 0 | 0 | 109 | V22 S26 | V22-S24 PolarHBondContact O-N 3.4Å; S24-S26 VanDerWaalsContact C-N 3.26Å; S24-S26 PolarHBondContact O-N 3.21Å | ||
| 25 | E | 50.3 | Low | 52.3 | Low | 152 Ų | 152 | 139.5 Ų | 139.5 | 71% | 0.71 | 77% | 0.766 | S | S | * | * | trans | -73.3 | 90.7 | 159.3 | -74.2 | -173 | 172.3 | 0 | 0 | 107.4 | S23 Y27 | S23-E25 VanDerWaalsContact C-N 3.26Å; S23-E25 PolarHBondContact O-N 3.04Å; E25-Y27 WeakPolarHBondContact O-CD1 3.4Å; E25-Y27 VanDerWaalsContact O-CE1 3.25Å; E25-Y27 WeakPolarHBondContact O-CE1 3.33Å; E25-Y27 PolarHBondContact O-N 3.5Å | ||
| 26 | S | 51.3 | Low | 53.7 | Low | 98 Ų | 98 | 136.4 Ų | 136.4 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | -70.3 | 86.9 | 166 | 55.1 | 0 | 0 | 0 | 0 | 107.9 | S24 L28 | S24-S26 VanDerWaalsContact C-N 3.26Å; S24-S26 PolarHBondContact O-N 3.21Å; S26-L28 PolarHBondContact O-N 3.17Å | ||
| 27 | Y | 52.9 | Low | 55.1 | Low | 179 Ų | 179 | 140.5 Ų | 140.5 | 70% | 0.702 | 77% | 0.771 | S | S | * | * | trans | -60.4 | 98.7 | 155.1 | 30.9 | -89.3 | 0 | 0 | 0 | 106.1 | E25 L29 | E25-Y27 WeakPolarHBondContact O-CD1 3.4Å; E25-Y27 VanDerWaalsContact O-CE1 3.25Å; E25-Y27 WeakPolarHBondContact O-CE1 3.33Å; E25-Y27 PolarHBondContact O-N 3.5Å; Y27-L29 HydrophobicContact CD2-CD2 4.24Å; Y27-L29 HydrophobicContact CD2-CG 4.01Å; Y27-L29 PolarHBondContact O-N 3.07Å | ||
| 28 | L | 55.1 | Low | 56.2 | Low | 158 Ų | 158 | 139.4 Ų | 139.4 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | trans | -60.3 | 89.9 | 157.1 | -66 | 176.4 | 0 | 0 | 0 | 105.1 | S26 D30 | S26-L28 PolarHBondContact O-N 3.17Å; L28-D30 PolarHBondContact O-N 3.11Å | ||
| 29 | L | 55.8 | Low | 57.6 | Low | 142 Ų | 142 | 138.5 Ų | 138.5 | 74% | 0.743 | 77% | 0.766 | S | S | * | * | trans | -65.2 | 86.1 | 163.1 | -64.9 | -171.8 | 0 | 0 | 0 | 105.1 | Y27 S31 | Y27-L29 HydrophobicContact CD2-CD2 4.24Å; Y27-L29 HydrophobicContact CD2-CG 4.01Å; Y27-L29 PolarHBondContact O-N 3.07Å; L29-S31 PolarHBondContact O-N 2.91Å | ||
| 30 | D | 59.6 | Low | 59.1 | Low | 142 Ų | 142 | 138.8 Ų | 138.8 | 76% | 0.759 | 77% | 0.769 | S | S | * | * | trans | -63.2 | 95.6 | 172.2 | -155.5 | 13.4 | 0 | 0 | 0 | 105.4 | L28 V32 | L28-D30 PolarHBondContact O-N 3.11Å; D30-V32 PolarHBondContact O-N 2.77Å | ||
| 31 | S | 64.1 | Low | 61.1 | Low | 95 Ų | 95 | 134.8 Ų | 134.8 | 66% | 0.664 | 77% | 0.766 | S | S | * | * | trans | -73.1 | 83.3 | -177.7 | 71.3 | 0 | 0 | 0 | 0 | 107.3 | L29 R33 | L29-S31 PolarHBondContact O-N 2.91Å; S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 2.95Å | ||
| 32 | V | 66.7 | Low | 62.9 | Low | 94 Ų | 94 | 132.8 Ų | 132.8 | 57% | 0.57 | 77% | 0.765 | S | S | * | * | trans | -68.2 | 97.9 | 171.5 | -179 | 0 | 0 | 0 | 0 | 107 | D30 F34 | D30-V32 PolarHBondContact O-N 2.77Å; V32-F34 HydrophobicContact CB-CE2 4.46Å; V32-F34 HydrophobicContact CG1-CD1 4.47Å; V32-F34 HydrophobicContact CG1-CD2 4.29Å; V32-F34 HydrophobicContact CG1-CE1 4.13Å; V32-F34 HydrophobicContact CG1-CE2 3.93Å; V32-F34 HydrophobicContact CG1-CZ 3.85Å; V32-F34 PolarHBondContact O-N 2.97Å | ||
| 33 | R | 63.4 | Low | 64.4 | Low | 230 Ų | 230 | 129.9 Ų | 129.9 | 87% | 0.868 | 75% | 0.751 | S | S | * | * | trans | -78.1 | 101.6 | 168.9 | -67.8 | -167.4 | -178.6 | -162.4 | 1.5 | 108 | S31 A35 | S31-R33 VanDerWaalsContact C-N 3.34Å; S31-R33 PolarHBondContact O-N 2.95Å; R33-A35 PolarHBondContact O-N 2.97Å | ||
| 34 | F | 70.1 | Confident | 66 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | trans | -63.9 | 131.7 | 165.5 | -66.1 | -79.8 | 0 | 0 | 0 | 109.3 | V32 S36 | V32-F34 HydrophobicContact CB-CE2 4.46Å; V32-F34 HydrophobicContact CG1-CD1 4.47Å; V32-F34 HydrophobicContact CG1-CD2 4.29Å; V32-F34 HydrophobicContact CG1-CE1 4.13Å; V32-F34 HydrophobicContact CG1-CE2 3.93Å; V32-F34 HydrophobicContact CG1-CZ 3.85Å; V32-F34 PolarHBondContact O-N 2.97Å; F34-S36 PolarHBondContact O-N 3.27Å | ||
| 35 | A | 70.9 | Confident | 67.4 | Low | 100 Ų | 100 | 135.9 Ų | 135.9 | 83% | 0.826 | 76% | 0.758 | S | S | * | * | trans | -59 | 113.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | R33 K37 | R33-A35 PolarHBondContact O-N 2.97Å; A35-K37 PolarHBondContact O-N 3.37Å | ||
| 36 | S | 67.8 | Low | 68.9 | Low | 113 Ų | 113 | 136.6 Ų | 136.6 | 79% | 0.79 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -80.4 | 119.2 | 175 | 64.8 | 0 | 0 | 0 | 0 | 108.9 | F34 | F34-S36 PolarHBondContact O-N 3.27Š|
| 37 | K | 68.8 | Low | 70.7 | Confident | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 76% | 0.761 | S | S | * | * | trans | 102.4 | 110.8 | 177.4 | -55 | -164 | -175.8 | -169.3 | 0 | 115.4 | A35 A39 | A35-K37 PolarHBondContact O-N 3.37Å; K37-A39 VanDerWaalsContact C-N 3.25Å; K37-A39 PolarHBondContact O-N 3.21Å | ||
| 38 | K | 68.3 | Low | 72.5 | Confident | 223 Ų | 223 | 130.1 Ų | 130.1 | 97% | 0.97 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -74.9 | -8.2 | 167 | -171.7 | 171.4 | 179.7 | 178.5 | 0 | 113.4 | ||
| 39 | A | 68.7 | Low | 74.2 | Confident | 84 Ų | 84 | 134 Ų | 134 | 69% | 0.694 | 77% | 0.772 | S | S | * | * | trans | -115.2 | 101.8 | -171 | 0 | 0 | 0 | 0 | 0 | 111.9 | K37 | K37-A39 VanDerWaalsContact C-N 3.25Å; K37-A39 PolarHBondContact O-N 3.21Å | ||
| 40 | G | 75.1 | Confident | 75.9 | Confident | 75 Ų | 75 | 132.2 Ų | 132.2 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 141.6 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||
| 41 | G | 78.8 | Confident | 77.6 | Confident | 77 Ų | 77 | 130.9 Ų | 130.9 | 79% | 0.794 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -61.1 | 146.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 42 | S | 79.1 | Confident | 79.1 | Confident | 111 Ų | 111 | 129.7 Ų | 129.7 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 160.4 | 171.5 | -173 | 0 | 0 | 0 | 0 | 111.4 | K44 | S42-K44 PolarHBondContact O-N 3.07Å; S42-K44 VanDerWaalsContact O-N 3.12Å |
| 43 | S | 78.8 | Confident | 80.4 | Confident | 82 Ų | 82 | 132.5 Ų | 132.5 | 57% | 0.573 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -55.2 | 119.9 | 176.5 | 179.5 | 0 | 0 | 0 | 0 | 110.5 | N45 | S43-N45 PolarHBondContact O-N 3.13Å; S43-N45 PolarHBondContact OG-N 3.44Å |
| 44 | K | 86.1 | Confident | 81.9 | Confident | 190 Ų | 190 | 132 Ų | 132 | 83% | 0.826 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -77.5 | -10.3 | 175.3 | -60.6 | -177.9 | -178.3 | 179.5 | 0 | 112.5 | S42 L46 | S42-K44 PolarHBondContact O-N 3.07Å; S42-K44 VanDerWaalsContact O-N 3.12Å; K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.3Å |
| 45 | N | 83.9 | Confident | 83.2 | Confident | 145 Ų | 145 | 127.7 Ų | 127.7 | 78% | 0.775 | 75% | 0.753 | S | S | * | * | trans | -86.4 | 70.4 | -178.8 | -63 | -26.1 | 0 | 0 | 0 | 110 | S43 G47 | S43-N45 PolarHBondContact O-N 3.13Å; S43-N45 PolarHBondContact OG-N 3.44Å; N45-G47 PolarHBondContact O-N 3.39Å | ||
| 46 | L | 81.2 | Confident | 84.4 | Confident | 167 Ų | 167 | 124.4 Ų | 124.4 | 87% | 0.874 | 73% | 0.729 | S | S | * | * | trans | -81.8 | 86.1 | 174.4 | -68.7 | 125.1 | 0 | 0 | 0 | 109 | K44 | K44-L46 VanDerWaalsContact C-N 3.29Å; K44-L46 PolarHBondContact O-N 3.3Å | ||
| 47 | G | 88.7 | Confident | 85.7 | Confident | 57 Ų | 57 | 123.1 Ų | 123.1 | 59% | 0.588 | 71% | 0.709 | S | S | * | * | trans | -176.9 | -171 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | N45 R49 | N45-G47 PolarHBondContact O-N 3.39Å; G47-R49 PolarHBondContact O-N 3.47Å | ||
| 48 | G | 90.8 | Very high | 87.1 | Confident | 83 Ų | 83 | 119.2 Ų | 119.2 | 86% | 0.856 | 69% | 0.692 | S | S | * | * | trans | 81.2 | 4.7 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | S50 | G48-S50 VanDerWaalsContact C-N 3.32Å; G48-S50 PolarHBondContact O-N 2.77Å | ||
| 49 | R | 91.2 | Very high | 88.4 | Confident | 241 Ų | 241 | 111.9 Ų | 111.9 | 91% | 0.909 | 66% | 0.66 | S | S | * | * | trans | -92.8 | 23 | -179.5 | -54.2 | -171.8 | -166.9 | -160.7 | 3.8 | 113.9 | G47 | G47-R49 PolarHBondContact O-N 3.47Š| ||
| 50 | S | 92.7 | Very high | 89.8 | Confident | 104 Ų | 104 | 112.8 Ų | 112.8 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 129.2 | 179.6 | 58 | 0 | 0 | 0 | 0 | 110.6 | G48 | G48-S50 VanDerWaalsContact C-N 3.32Å; G48-S50 PolarHBondContact O-N 2.77Å |
| 51 | P | 95.4 | Very high | 90.8 | Very high | 114 Ų | 114 | 112.6 Ų | 112.6 | 74% | 0.74 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 160 | 177.7 | 28.8 | -35.2 | 0 | 0 | 0 | 112.1 | ||
| 52 | G | 94.4 | Very high | 91.7 | Very high | 70 Ų | 70 | 110.4 Ų | 110.4 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 135.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R54 | G52-R54 VanDerWaalsContact C-N 3.35Å; G52-R54 PolarHBondContact O-N 2.95Å |
| 53 | R | 94.4 | Very high | 92.5 | Very high | 153 Ų | 153 | 107 Ų | 107 | 58% | 0.577 | 59% | 0.591 | S | S | * | * | trans | -85.4 | 1.3 | -176.5 | -62.8 | 177.5 | 68.6 | -176.5 | 3.1 | 114.9 | F55 | R53-F55 HydrophobicContact CB-CD2 3.75Å; R53-F55 HydrophobicContact CB-CE2 3.61Å; R53-F55 HydrophobicContact CB-CG 4.38Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; R53-F55 HydrophobicContact CG-CE2 4.24Å; R53-F55 VanDerWaalsContact CZ-CE2 3.48Å; R53-F55 PolarHBondContact O-N 3.09Å | ||
| 54 | R | 95.8 | Very high | 93.4 | Very high | 219 Ų | 219 | 107.2 Ų | 107.2 | 83% | 0.826 | 58% | 0.583 | S | S | * | * | trans | 54.8 | 32.8 | 177.6 | -54.5 | 175 | -179.4 | 178.3 | -1.8 | 114.5 | G52 K58 | G52-R54 VanDerWaalsContact C-N 3.35Å; G52-R54 PolarHBondContact O-N 2.95Å; R54-K58 PolarHBondContact O-NZ 3.37Å | ||
| 55 | F | 96.6 | Very high | 94 | Very high | 86 Ų | 86 | 98.2 Ų | 98.2 | 38% | 0.377 | 54% | 0.543 | S | S | . | . | trans | -67.5 | 151.3 | 170.3 | -67.9 | -48.3 | 0 | 0 | 0 | 111.4 | R53 T73 R75 | R53-F55 HydrophobicContact CB-CD2 3.75Å; R53-F55 HydrophobicContact CB-CE2 3.61Å; R53-F55 HydrophobicContact CB-CG 4.38Å; R53-F55 HydrophobicContact CB-CZ 4.12Å; R53-F55 HydrophobicContact CG-CE2 4.24Å; R53-F55 VanDerWaalsContact CZ-CE2 3.48Å; R53-F55 PolarHBondContact O-N 3.09Å; F55-T73 WeakPolarHBondContact CB-O 3.36Å; F55-R75 HydrophobicContact CD2-CB 4.44Å; F55-R75 HydrophobicContact CE2-CB 4.06Å | ||
| 56 | G | 96 | Very high | 94.6 | Very high | 31 Ų | 31 | 96 Ų | 96 | 32% | 0.32 | 53% | 0.528 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 143 | -170.4 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | A72 T73 | G56-A72 WeakPolarHBondContact O-CA 3.35Å; G56-T73 PolarHBondContact N-O 3.23Å; G56-T73 PolarHBondContact O-N 2.86Å |
| 57 | F | 95.5 | Very high | 95.4 | Very high | 87 Ų | 87 | 90.6 Ų | 90.6 | 38% | 0.382 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.7 | 144.7 | 175.3 | -66.4 | -61.3 | 0 | 0 | 0 | 111.9 | A72 Y79 F103 I135 | F57-A72 HydrophobicContact CD1-CB 3.84Å; F57-A72 HydrophobicContact CE1-CB 4.24Å; F57-Y79 HydrophobicContact CD1-CE2 4.34Å; F57-Y79 HydrophobicContact CE1-CD1 4.32Å; F57-Y79 AromaticContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CE1 4.13Å; F57-Y79 AromaticContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CG 4.13Å; F57-Y79 AromaticContact CE1-CZ 3.67Å; F57-Y79 HydrophobicContact CE2-CE1 4.38Å; F57-Y79 AromaticContact CE2-CE2 3.88Å; F57-Y79 HydrophobicContact CE2-CE2 3.88Å; F57-Y79 AromaticContact CE2-CZ 3.59Å; F57-Y79 WeakPolarHBondContact CE2-OH 3.31Å; F57-Y79 HydrophobicContact CZ-CD1 4.09Å; F57-Y79 AromaticContact CZ-CD2 3.89Å; F57-Y79 HydrophobicContact CZ-CD2 3.89Å; F57-Y79 AromaticContact CZ-CE1 3.47Å; F57-Y79 HydrophobicContact CZ-CE1 3.47Å; F57-Y79 VanDerWaalsContact CZ-CE1 3.47Å; F57-Y79 AromaticContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CG 4.29Å; F57-Y79 AromaticContact CZ-CZ 2.96Å; F57-Y79 WeakPolarHBondContact CZ-OH 3.25Å; F57-F103 HydrophobicContact CD1-CE1 4.3Å; F57-F103 AromaticContact CD1-CZ 3.99Å; F57-F103 HydrophobicContact CD1-CZ 3.99Å; F57-F103 AromaticContact CE1-CE1 3.38Å; F57-F103 HydrophobicContact CE1-CE1 3.38Å; F57-F103 AromaticContact CE1-CZ 3.5Å; F57-F103 HydrophobicContact CE1-CZ 3.5Å; F57-F103 VanDerWaalsContact CE1-CZ 3.5Å; F57-F103 AromaticContact CZ-CE1 3.65Å; F57-F103 HydrophobicContact CZ-CE1 3.65Å; F57-F103 AromaticContact CZ-CZ 3.93Å; F57-F103 HydrophobicContact CZ-CZ 3.93Å; F57-I135 HydrophobicContact CE1-CD1 4.09Å |
| 58 | K | 96.7 | Very high | 95.8 | Very high | 105 Ų | 105 | 90.3 Ų | 90.3 | 46% | 0.457 | 51% | 0.505 | S | S | . | . | S | Bend | trans | -113.7 | -26.4 | 170.8 | -54.5 | -57.2 | 170.4 | -167.3 | 0 | 111.1 | R54 I70 L71 | R54-K58 PolarHBondContact O-NZ 3.37Å; K58-I70 WeakPolarHBondContact CB-O 3.46Å; K58-I70 HydrophobicContact CG-CG2 3.98Å; K58-L71 PolarHBondContact N-O 3.11Å |
| 59 | K | 97.4 | Very high | 96.1 | Very high | 69 Ų | 69 | 88.9 Ų | 88.9 | 30% | 0.3 | 48% | 0.477 | S | S | . | . | S | Bend | trans | -128.6 | 137.6 | 174.9 | -60.3 | -68.5 | -179.1 | 175.6 | 0 | 109.4 | V65 L71 V101 | K59-V65 HydrophobicContact CB-CG1 4Å; K59-V65 HydrophobicContact CD-CG1 3.82Å; K59-V65 HydrophobicContact CG-CG1 3.58Å; K59-L71 HydrophobicContact CB-CD2 4.14Å; K59-L71 HydrophobicContact CG-CD2 4.22Å; K59-L71 PolarHBondContact N-O 2.89Å; K59-V101 HydrophobicContact CB-CG2 4.19Å |
| 60 | V | 96.8 | Very high | 96.5 | Very high | 102 Ų | 102 | 81.4 Ų | 81.4 | 62% | 0.618 | 46% | 0.455 | S | S | * | . | trans | -99.3 | 164.3 | -176.4 | -165.9 | 0 | 0 | 0 | 0 | 108.9 | G62 S63 | V60-G62 PolarHBondContact O-N 2.92Å; V60-S63 PolarHBondContact N-OG 2.79Å; V60-S63 WeakPolarHBondContact O-CB 3.46Å; V60-S63 PolarHBondContact O-N 2.82Å; V60-S63 PolarHBondContact O-OG 2.78Å | ||
| 61 | D | 97 | Very high | 96.7 | Very high | 71 Ų | 71 | 76.5 Ų | 76.5 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | 136.7 | 175.1 | -163.1 | 68.9 | 0 | 0 | 0 | 111.4 | S63 R102 F103 | D61-S63 PolarHBondContact O-N 3Å; D61-R102 VanDerWaalsContact OD1-CA 3.23Å; D61-R102 WeakPolarHBondContact OD1-CA 3.16Å; D61-R102 IonicContact OD2-CZ 3.97Å; D61-R102 IonicContact OD2-NH1 2.85Å; D61-R102 PolarHBondContact OD2-NH1 3.09Å; D61-F103 HydrophobicContact CB-CD2 3.75Å; D61-F103 HydrophobicContact CB-CE2 4.15Å; D61-F103 WeakPolarHBondContact OD1-CD2 3.24Å; D61-F103 PolarHBondContact OD1-N 2.75Å |
| 62 | G | 96.5 | Very high | 96.8 | Very high | 31 Ų | 31 | 71.1 Ų | 71.1 | 32% | 0.32 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | -9.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | V60 F64 H100 V101 | V60-G62 PolarHBondContact O-N 2.92Å; G62-F64 PolarHBondContact O-N 3.48Å; G62-H100 PolarHBondContact O-ND1 3.03Å; G62-V101 PolarHBondContact N-O 3.42Å |
| 63 | S | 97.5 | Very high | 97 | Very high | 39 Ų | 39 | 68.9 Ų | 68.9 | 27% | 0.273 | 36% | 0.358 | S | S | . | . | trans | -64.6 | 134.3 | 177.8 | -60.7 | 0 | 0 | 0 | 0 | 111.1 | V60 D61 H100 V101 | V60-S63 PolarHBondContact N-OG 2.79Å; V60-S63 WeakPolarHBondContact O-CB 3.46Å; V60-S63 PolarHBondContact O-N 2.82Å; V60-S63 PolarHBondContact O-OG 2.78Å; D61-S63 PolarHBondContact O-N 3Å; S63-H100 WeakPolarHBondContact O-CA 3.07Å; S63-V101 PolarHBondContact O-N 2.8Å | ||
| 64 | F | 97.6 | Very high | 97.1 | Very high | 88 Ų | 88 | 62.3 Ų | 62.3 | 39% | 0.386 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 135.3 | 168.5 | -174.1 | -101.6 | 0 | 0 | 0 | 110.2 | G62 H66 D98 G99 H100 V140 | G62-F64 PolarHBondContact O-N 3.48Å; F64-H66 AromaticContact CE1-CE1 3.54Å; F64-H66 AromaticContact CE1-ND1 3.89Å; F64-H66 AromaticContact CE1-NE2 3.96Å; F64-D98 HydrophobicContact CZ-CB 4.35Å; F64-G99 CarbonylContact C-O 3.58Å; F64-G99 WeakPolarHBondContact CA-O 3.23Å; F64-G99 WeakPolarHBondContact CD2-O 3.31Å; F64-H100 AromaticContact CD2-NE2 3.94Å; F64-V140 HydrophobicContact CD2-CG2 4.38Å; F64-V140 HydrophobicContact CE2-CB 4.41Å; F64-V140 HydrophobicContact CE2-CG2 4.05Å |
| 65 | V | 97.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 147 | -179.3 | -64.9 | 0 | 0 | 0 | 0 | 110 | K59 N69 L71 A95 D98 G99 V101 V137 | K59-V65 HydrophobicContact CB-CG1 4Å; K59-V65 HydrophobicContact CD-CG1 3.82Å; K59-V65 HydrophobicContact CG-CG1 3.58Å; V65-N69 HydrophobicContact CB-CB 4.33Å; V65-L71 HydrophobicContact CB-CD2 4.42Å; V65-L71 HydrophobicContact CG1-CD2 3.91Å; V65-L71 HydrophobicContact CG2-CD2 4.29Å; V65-A95 HydrophobicContact CB-CB 4.47Å; V65-A95 HydrophobicContact CG2-CB 3.91Å; V65-D98 CarbonylContact O-C 3.54Å; V65-D98 VanDerWaalsContact O-CA 3.31Å; V65-D98 WeakPolarHBondContact O-CA 3.46Å; V65-G99 WeakPolarHBondContact CG2-O 3.39Å; V65-G99 PolarHBondContact N-O 2.9Å; V65-G99 PolarHBondContact O-N 3.5Å; V65-V101 HydrophobicContact CB-CG2 4.43Å; V65-V101 HydrophobicContact CG1-CG2 3.61Å; V65-V101 HydrophobicContact CG2-CG2 3.89Å; V65-V137 HydrophobicContact CG2-CG1 3.96Å; V65-V137 HydrophobicContact CG2-CG2 4.1Å |
| 66 | H | 97.4 | Very high | 97 | Very high | 99 Ų | 99 | 64.6 Ų | 64.6 | 46% | 0.458 | 34% | 0.344 | S | S | . | . | trans | -91.1 | 158.3 | 168 | -63 | -70.6 | 0 | 0 | 0 | 110.7 | F64 G68 N69 D98 | F64-H66 AromaticContact CE1-CE1 3.54Å; F64-H66 AromaticContact CE1-ND1 3.89Å; F64-H66 AromaticContact CE1-NE2 3.96Å; H66-G68 PolarHBondContact O-N 3.4Å; H66-N69 PolarHBondContact N-ND2 2.78Å; H66-N69 VanDerWaalsContact N-ND2 3.17Å; H66-N69 VanDerWaalsContact O-CB 3.29Å; H66-N69 WeakPolarHBondContact O-CB 3.48Å; H66-N69 PolarHBondContact O-N 3.2Å; H66-N69 VanDerWaalsContact O-N 3.13Å; H66-D98 WeakPolarHBondContact CA-OD1 3.39Å; H66-D98 IonicContact CG-OD1 3.99Å; H66-D98 IonicContact ND1-OD1 3.62Å; H66-D98 IonicContact ND1-OD2 3.87Å | ||
| 67 | A | 97.1 | Very high | 96.9 | Very high | 53 Ų | 53 | 66.6 Ų | 66.6 | 44% | 0.438 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.3 | 135.5 | 167.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | N69 L96 D98 | A67-N69 VanDerWaalsContact C-N 3.33Å; A67-N69 PolarHBondContact O-N 3.12Å; A67-L96 VanDerWaalsContact CB-O 3.26Å; A67-L96 WeakPolarHBondContact CB-O 3.37Å; A67-D98 PolarHBondContact N-OD1 2.88Å |
| 68 | G | 97.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 71.1 Ų | 71.1 | 54% | 0.536 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 86.1 | -12.2 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | H66 I70 A95 | H66-G68 PolarHBondContact O-N 3.4Å; G68-I70 PolarHBondContact O-N 3.2Å; G68-A95 WeakPolarHBondContact CA-O 3.2Å; G68-A95 PolarHBondContact N-O 2.85Å |
| 69 | N | 98.1 | Very high | 96.9 | Very high | 52 Ų | 52 | 67.3 Ų | 67.3 | 28% | 0.278 | 35% | 0.345 | S | S | . | . | trans | -65.7 | 138 | 178.5 | -80.5 | -10.9 | 0 | 0 | 0 | 111.9 | V65 H66 A67 L71 F94 A95 | V65-N69 HydrophobicContact CB-CB 4.33Å; H66-N69 PolarHBondContact N-ND2 2.78Å; H66-N69 VanDerWaalsContact N-ND2 3.17Å; H66-N69 VanDerWaalsContact O-CB 3.29Å; H66-N69 WeakPolarHBondContact O-CB 3.48Å; H66-N69 PolarHBondContact O-N 3.2Å; H66-N69 VanDerWaalsContact O-N 3.13Å; A67-N69 VanDerWaalsContact C-N 3.33Å; A67-N69 PolarHBondContact O-N 3.12Å; N69-L71 PolarHBondContact O-N 2.6Å; N69-F94 CarbonylContact O-C 3.55Å; N69-F94 VanDerWaalsContact O-CA 3.25Å; N69-F94 WeakPolarHBondContact O-CA 3.18Å; N69-A95 PolarHBondContact O-N 2.9Å | ||
| 70 | I | 98 | Very high | 96.9 | Very high | 84 Ų | 84 | 64.9 Ų | 64.9 | 43% | 0.431 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.8 | 128.1 | 174.1 | -60.5 | 174.1 | 0 | 0 | 0 | 109.6 | K58 G68 T73 T92 | K58-I70 WeakPolarHBondContact CB-O 3.46Å; K58-I70 HydrophobicContact CG-CG2 3.98Å; G68-I70 PolarHBondContact O-N 3.2Å; I70-T73 HydrophobicContact CG2-CG2 3.81Å; I70-T92 HydrophobicContact CG1-CG2 4.43Å; I70-T92 HydrophobicContact CG2-CG2 3.69Å |
| 71 | L | 97.7 | Very high | 96.9 | Very high | 2 Ų | 2 | 62 Ų | 62 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.7 | -48.6 | 178.8 | -58.2 | -178.6 | 0 | 0 | 0 | 111.5 | K58 K59 V65 N69 V85 L93 A95 V101 I135 V137 | K58-L71 PolarHBondContact N-O 3.11Å; K59-L71 HydrophobicContact CB-CD2 4.14Å; K59-L71 HydrophobicContact CG-CD2 4.22Å; K59-L71 PolarHBondContact N-O 2.89Å; V65-L71 HydrophobicContact CB-CD2 4.42Å; V65-L71 HydrophobicContact CG1-CD2 3.91Å; V65-L71 HydrophobicContact CG2-CD2 4.29Å; N69-L71 PolarHBondContact O-N 2.6Å; L71-V85 HydrophobicContact CD1-CB 4.46Å; L71-V85 HydrophobicContact CD1-CG1 3.99Å; L71-V85 HydrophobicContact CD1-CG2 3.6Å; L71-L93 HydrophobicContact CB-CB 4.3Å; L71-L93 PolarHBondContact N-O 2.94Å; L71-A95 HydrophobicContact CD1-CB 4.47Å; L71-A95 HydrophobicContact CD2-CB 4.27Å; L71-A95 HydrophobicContact CG-CB 4.48Å; L71-V101 HydrophobicContact CD2-CG2 3.69Å; L71-I135 HydrophobicContact CD1-CG2 3.89Å; L71-V137 HydrophobicContact CD1-CG2 3.9Å |
| 72 | A | 97.8 | Very high | 96.9 | Very high | 1 Ų | 1 | 59.7 Ų | 59.7 | 1% | 0.008 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.4 | 140.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | G56 F57 L93 I135 | G56-A72 WeakPolarHBondContact O-CA 3.35Å; F57-A72 HydrophobicContact CD1-CB 3.84Å; F57-A72 HydrophobicContact CE1-CB 4.24Å; A72-L93 PolarHBondContact N-O 3.08Å; A72-L93 PolarHBondContact O-N 2.91Å; A72-I135 HydrophobicContact CB-CD1 4.24Å |
| 73 | T | 97.8 | Very high | 97 | Very high | 23 Ų | 23 | 60.6 Ų | 60.6 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 131.1 | 171.4 | 57.4 | 0 | 0 | 0 | 0 | 109.8 | F55 G56 I70 T92 | F55-T73 WeakPolarHBondContact CB-O 3.36Å; G56-T73 PolarHBondContact N-O 3.23Å; G56-T73 PolarHBondContact O-N 2.86Å; I70-T73 HydrophobicContact CG2-CG2 3.81Å; T73-T92 HydrophobicContact CG2-CG2 3.83Å |
| 74 | Q | 97 | Very high | 97 | Very high | 14 Ų | 14 | 62.1 Ų | 62.1 | 7% | 0.065 | 32% | 0.318 | C | S | . | . | trans | -147.2 | 154.6 | -172.4 | 57.9 | -174.3 | -1 | 0 | 0 | 111.1 | K76 Y79 N91 | Q74-K76 WeakPolarHBondContact CB-O 3.45Å; Q74-K76 VanDerWaalsContact CD-O 3.28Å; Q74-K76 VanDerWaalsContact CG-O 3.31Å; Q74-K76 WeakPolarHBondContact CG-O 3.38Å; Q74-K76 PolarHBondContact OE1-O 3.45Å; Q74-Y79 PolarHBondContact NE2-O 3.44Å; Q74-N91 HydrophobicContact CG-CB 4.17Å; Q74-N91 WeakPolarHBondContact CG-O 3.31Å; Q74-N91 PolarHBondContact NE2-O 3.43Å; Q74-N91 VanDerWaalsContact NE2-O 3.09Å | ||
| 75 | R | 95.8 | Very high | 97 | Very high | 183 Ų | 183 | 58.4 Ų | 58.4 | 69% | 0.691 | 30% | 0.303 | S | S | * | . | S | Bend | trans | -83.7 | -43.1 | 176.3 | -174.9 | 172.4 | -178.6 | 146.1 | 3 | 112.2 | F55 N91 | F55-R75 HydrophobicContact CD2-CB 4.44Å; F55-R75 HydrophobicContact CE2-CB 4.06Å; R75-N91 PolarHBondContact O-ND2 3.32Å |
| 76 | K | 95.2 | Very high | 97 | Very high | 171 Ų | 171 | 58.9 Ų | 58.9 | 74% | 0.743 | 31% | 0.307 | S | S | * | . | S | Bend | trans | -118.4 | 158 | 173.2 | -63.7 | -174.3 | 177.1 | -173.3 | 0 | 107.8 | Q74 R78 | Q74-K76 WeakPolarHBondContact CB-O 3.45Å; Q74-K76 VanDerWaalsContact CD-O 3.28Å; Q74-K76 VanDerWaalsContact CG-O 3.31Å; Q74-K76 WeakPolarHBondContact CG-O 3.38Å; Q74-K76 PolarHBondContact OE1-O 3.45Å; K76-R78 PolarHBondContact O-N 2.98Å |
| 77 | L | 94 | Very high | 97 | Very high | 72 Ų | 72 | 57.7 Ų | 57.7 | 38% | 0.377 | 30% | 0.304 | S | S | . | . | trans | -64.6 | 92.1 | 174.8 | -81.4 | 155.3 | 0 | 0 | 0 | 110.4 | Y79 L87 N91 | L77-Y79 WeakPolarHBondContact CD2-O 3.15Å; L77-L87 HydrophobicContact CD2-CD1 3.81Å; L77-L87 HydrophobicContact CD2-CD2 4.2Å; L77-N91 HydrophobicContact CG-CB 4.37Å | ||
| 78 | R | 95.1 | Very high | 97 | Very high | 182 Ų | 182 | 56.2 Ų | 56.2 | 69% | 0.687 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -87.3 | -39.3 | 168.8 | 179.9 | 176.7 | 176.1 | 175.9 | -1.4 | 110.1 | K76 | K76-R78 PolarHBondContact O-N 2.98Š|
| 79 | Y | 96.4 | Very high | 97 | Very high | 26 Ų | 26 | 61.2 Ų | 61.2 | 10% | 0.102 | 31% | 0.314 | C | S | . | . | S | Bend | trans | -114.6 | 137.3 | 173.8 | -50.7 | -71.9 | 0 | 0 | 0 | 109.2 | F57 Q74 L77 T133 I135 | F57-Y79 HydrophobicContact CD1-CE2 4.34Å; F57-Y79 HydrophobicContact CE1-CD1 4.32Å; F57-Y79 AromaticContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CD2 3.67Å; F57-Y79 HydrophobicContact CE1-CE1 4.13Å; F57-Y79 AromaticContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CE2 3.39Å; F57-Y79 HydrophobicContact CE1-CG 4.13Å; F57-Y79 AromaticContact CE1-CZ 3.67Å; F57-Y79 HydrophobicContact CE2-CE1 4.38Å; F57-Y79 AromaticContact CE2-CE2 3.88Å; F57-Y79 HydrophobicContact CE2-CE2 3.88Å; F57-Y79 AromaticContact CE2-CZ 3.59Å; F57-Y79 WeakPolarHBondContact CE2-OH 3.31Å; F57-Y79 HydrophobicContact CZ-CD1 4.09Å; F57-Y79 AromaticContact CZ-CD2 3.89Å; F57-Y79 HydrophobicContact CZ-CD2 3.89Å; F57-Y79 AromaticContact CZ-CE1 3.47Å; F57-Y79 HydrophobicContact CZ-CE1 3.47Å; F57-Y79 VanDerWaalsContact CZ-CE1 3.47Å; F57-Y79 AromaticContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CE2 3.19Å; F57-Y79 HydrophobicContact CZ-CG 4.29Å; F57-Y79 AromaticContact CZ-CZ 2.96Å; F57-Y79 WeakPolarHBondContact CZ-OH 3.25Å; Q74-Y79 PolarHBondContact NE2-O 3.44Å; L77-Y79 WeakPolarHBondContact CD2-O 3.15Å; Y79-T133 HydrophobicContact CD1-CG2 3.86Å; Y79-T133 HydrophobicContact CE1-CG2 4.2Å; Y79-I135 HydrophobicContact CG-CD1 4.15Å; Y79-I135 HydrophobicContact CG-CG1 4.46Å |
| 80 | H | 96.8 | Very high | 96.8 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 8% | 0.079 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.4 | 146.6 | 179.7 | -70.7 | -100.3 | 0 | 0 | 0 | 110.2 | G82 Y108 T133 F134 I135 | H80-G82 PolarHBondContact O-N 2.82Å; H80-Y108 AromaticContact CE1-CD2 3.97Å; H80-Y108 AromaticContact CE1-CE2 3.5Å; H80-Y108 VanDerWaalsContact CE1-CE2 3.5Å; H80-Y108 WeakPolarHBondContact CE1-CE2 3.46Å; H80-Y108 AromaticContact ND1-CE2 3.64Å; H80-T133 PolarHBondContact N-O 3.28Å; H80-F134 HydrophobicContact CB-CD1 3.6Å; H80-F134 HydrophobicContact CB-CD2 4.47Å; H80-F134 HydrophobicContact CB-CE1 3.53Å; H80-F134 HydrophobicContact CB-CE2 4.43Å; H80-F134 HydrophobicContact CB-CG 4.1Å; H80-F134 HydrophobicContact CB-CZ 3.98Å; H80-F134 WeakPolarHBondContact O-CA 3.47Å; H80-I135 PolarHBondContact O-N 3.17Å |
| 81 | P | 97.8 | Very high | 96.8 | Very high | 42 Ų | 42 | 61.8 Ų | 61.8 | 27% | 0.273 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.3 | 127.6 | 171.7 | 30 | -33.7 | 0 | 0 | 0 | 108.8 | V85 L87 L93 F134 | P81-V85 HydrophobicContact CB-CB 4.43Å; P81-V85 HydrophobicContact CB-CG1 4.11Å; P81-L87 HydrophobicContact CG-CB 4.21Å; P81-L93 HydrophobicContact CB-CD2 3.87Å; P81-L93 HydrophobicContact CG-CD2 4.42Å; P81-F134 VanDerWaalsContact O-CD1 3.31Å; P81-F134 WeakPolarHBondContact O-CD1 3.49Å |
| 82 | G | 97.3 | Very high | 96.8 | Very high | 22 Ų | 22 | 62.4 Ų | 62.4 | 23% | 0.227 | 32% | 0.322 | C | S | . | . | trans | -109.9 | -141.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111 | H80 H84 I135 N136 | H80-G82 PolarHBondContact O-N 2.82Å; G82-H84 PolarHBondContact O-N 2.81Å; G82-I135 WeakPolarHBondContact CA-O 3.41Å; G82-I135 PolarHBondContact N-O 2.92Å; G82-N136 WeakPolarHBondContact CA-OD1 3.5Å | ||
| 83 | A | 97.4 | Very high | 96.8 | Very high | 50 Ų | 50 | 62.4 Ų | 62.4 | 41% | 0.413 | 32% | 0.322 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65 | 132.6 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V85 N136 V137 | A83-V85 PolarHBondContact O-N 2.88Å; A83-N136 HydrophobicContact CB-CB 4.47Å; A83-N136 PolarHBondContact N-OD1 3.43Å; A83-N136 WeakPolarHBondContact O-CA 3.48Å; A83-V137 PolarHBondContact O-N 2.8Å |
| 84 | H | 97.6 | Very high | 96.8 | Very high | 71 Ų | 71 | 64.6 Ų | 64.6 | 33% | 0.329 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.8 | 29.9 | 178.4 | -46.5 | -81.2 | 0 | 0 | 0 | 114.4 | G82 L96 E97 V137 | G82-H84 PolarHBondContact O-N 2.81Å; H84-L96 WeakPolarHBondContact O-CB 3.47Å; H84-L96 PolarHBondContact O-N 3.02Å; H84-E97 HydrophobicContact CB-CB 4.36Å; H84-E97 IonicContact CE1-OE1 3.32Å; H84-E97 PolarHBondContact CE1-OE1 2.98Å; H84-E97 VanDerWaalsContact CE1-OE1 3.32Å; H84-E97 IonicContact CE1-OE2 3.43Å; H84-E97 PolarHBondContact CE1-OE2 3.31Å; H84-E97 IonicContact CG-OE1 3.78Å; H84-E97 IonicContact CG-OE2 3.68Å; H84-E97 IonicContact ND1-OE1 2.71Å; H84-E97 PolarHBondContact ND1-OE1 2.85Å; H84-E97 IonicContact ND1-OE2 3.13Å; H84-E97 PolarHBondContact ND1-OE2 2.8Å; H84-E97 VanDerWaalsContact ND1-OE2 3.13Å; H84-V137 HydrophobicContact CB-CB 4.2Å; H84-V137 PolarHBondContact CD2-O 3.02Å; H84-V137 VanDerWaalsContact CD2-O 3.26Å |
| 85 | V | 98.3 | Very high | 96.9 | Very high | 11 Ų | 11 | 64 Ų | 64 | 7% | 0.067 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 126.7 | 176.8 | 176.1 | 0 | 0 | 0 | 0 | 110.8 | L71 P81 A83 L93 F94 I135 V137 | L71-V85 HydrophobicContact CD1-CB 4.46Å; L71-V85 HydrophobicContact CD1-CG1 3.99Å; L71-V85 HydrophobicContact CD1-CG2 3.6Å; P81-V85 HydrophobicContact CB-CB 4.43Å; P81-V85 HydrophobicContact CB-CG1 4.11Å; A83-V85 PolarHBondContact O-N 2.88Å; V85-L93 HydrophobicContact CG1-CB 4.03Å; V85-L93 HydrophobicContact CG1-CD2 3.99Å; V85-L93 HydrophobicContact CG1-CG 4.48Å; V85-F94 CarbonylContact C-O 3.54Å; V85-F94 WeakPolarHBondContact CA-O 3.4Å; V85-I135 WeakPolarHBondContact CG2-O 3.25Å; V85-V137 HydrophobicContact CG2-CB 4.46Å; V85-V137 HydrophobicContact CG2-CG2 3.76Å |
| 86 | G | 98 | Very high | 97 | Very high | 10 Ų | 10 | 59.6 Ų | 59.6 | 10% | 0.103 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 155.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L93 F94 | G86-L93 WeakPolarHBondContact O-CA 3.34Å; G86-F94 VanDerWaalsContact C-CE1 3.48Å; G86-F94 PolarHBondContact N-O 3.44Å; G86-F94 WeakPolarHBondContact O-CD1 3.43Å; G86-F94 PolarHBondContact O-N 3.22Å; G86-F94 VanDerWaalsContact O-N 3.13Å |
| 87 | L | 97.8 | Very high | 97 | Very high | 74 Ų | 74 | 54 Ų | 54 | 39% | 0.387 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 121 | 174 | -175.6 | 70.5 | 0 | 0 | 0 | 110 | L77 P81 N91 L93 | L77-L87 HydrophobicContact CD2-CD1 3.81Å; L77-L87 HydrophobicContact CD2-CD2 4.2Å; P81-L87 HydrophobicContact CG-CB 4.21Å; L87-N91 HydrophobicContact CD1-CB 4.34Å; L87-L93 HydrophobicContact CB-CD2 4.49Å; L87-L93 HydrophobicContact CD1-CD2 3.59Å; L87-L93 HydrophobicContact CD1-CG 4.5Å |
| 88 | G | 96.8 | Very high | 97.2 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | trans | -82.8 | 167.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | N90 N91 T92 | G88-N90 PolarHBondContact O-N 3.28Å; G88-N90 VanDerWaalsContact O-N 3.13Å; G88-N91 WeakPolarHBondContact O-CA 3.24Å; G88-N91 PolarHBondContact O-N 3.06Å; G88-T92 PolarHBondContact N-O 3.26Å | ||
| 89 | T | 96.3 | Very high | 97.3 | Very high | 156 Ų | 156 | 43.5 Ų | 43.5 | 96% | 0.957 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -32.3 | -179 | -44.4 | 0 | 0 | 0 | 0 | 113.9 | N91 | T89-N91 VanDerWaalsContact C-N 3.29Å; T89-N91 PolarHBondContact O-N 3.43Å |
| 90 | N | 95.1 | Very high | 97.4 | Very high | 104 Ų | 104 | 45.5 Ų | 45.5 | 56% | 0.556 | 26% | 0.261 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 20.5 | 177.6 | 65.9 | -5.5 | 0 | 0 | 0 | 113.1 | G88 T92 | G88-N90 PolarHBondContact O-N 3.28Å; G88-N90 VanDerWaalsContact O-N 3.13Å; N90-T92 PolarHBondContact ND2-OG1 3.21Å; N90-T92 PolarHBondContact O-N 3.13Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 PolarHBondContact OD1-N 2.71Å; N90-T92 PolarHBondContact OD1-OG1 3.48Å |
| 91 | N | 96.4 | Very high | 97.4 | Very high | 45 Ų | 45 | 44.8 Ų | 44.8 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | S | Bend | trans | 62.2 | 19.8 | -175.9 | -56.4 | -43.3 | 0 | 0 | 0 | 115.2 | Q74 R75 L77 L87 G88 T89 | Q74-N91 HydrophobicContact CG-CB 4.17Å; Q74-N91 WeakPolarHBondContact CG-O 3.31Å; Q74-N91 PolarHBondContact NE2-O 3.43Å; Q74-N91 VanDerWaalsContact NE2-O 3.09Å; R75-N91 PolarHBondContact O-ND2 3.32Å; L77-N91 HydrophobicContact CG-CB 4.37Å; L87-N91 HydrophobicContact CD1-CB 4.34Å; G88-N91 WeakPolarHBondContact O-CA 3.24Å; G88-N91 PolarHBondContact O-N 3.06Å; T89-N91 VanDerWaalsContact C-N 3.29Å; T89-N91 PolarHBondContact O-N 3.43Å |
| 92 | T | 97.9 | Very high | 97.4 | Very high | 15 Ų | 15 | 48.4 Ų | 48.4 | 9% | 0.092 | 27% | 0.266 | C | S | . | . | trans | -72.7 | 135.9 | 172.9 | -60.5 | 0 | 0 | 0 | 0 | 110.1 | I70 T73 G88 N90 | I70-T92 HydrophobicContact CG1-CG2 4.43Å; I70-T92 HydrophobicContact CG2-CG2 3.69Å; T73-T92 HydrophobicContact CG2-CG2 3.83Å; G88-T92 PolarHBondContact N-O 3.26Å; N90-T92 PolarHBondContact ND2-OG1 3.21Å; N90-T92 PolarHBondContact O-N 3.13Å; N90-T92 WeakPolarHBondContact OD1-CB 3.4Å; N90-T92 PolarHBondContact OD1-N 2.71Å; N90-T92 PolarHBondContact OD1-OG1 3.48Å | ||
| 93 | L | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 134.3 | 175.3 | -63 | 175.8 | 0 | 0 | 0 | 110.1 | L71 A72 P81 V85 G86 L87 I135 | L71-L93 HydrophobicContact CB-CB 4.3Å; L71-L93 PolarHBondContact N-O 2.94Å; A72-L93 PolarHBondContact N-O 3.08Å; A72-L93 PolarHBondContact O-N 2.91Å; P81-L93 HydrophobicContact CB-CD2 3.87Å; P81-L93 HydrophobicContact CG-CD2 4.42Å; V85-L93 HydrophobicContact CG1-CB 4.03Å; V85-L93 HydrophobicContact CG1-CD2 3.99Å; V85-L93 HydrophobicContact CG1-CG 4.48Å; G86-L93 WeakPolarHBondContact O-CA 3.34Å; L87-L93 HydrophobicContact CB-CD2 4.49Å; L87-L93 HydrophobicContact CD1-CD2 3.59Å; L87-L93 HydrophobicContact CD1-CG 4.5Å; L93-I135 HydrophobicContact CD1-CB 4.48Å; L93-I135 HydrophobicContact CD1-CD1 3.55Å; L93-I135 HydrophobicContact CD1-CG1 3.99Å |
| 94 | F | 98.1 | Very high | 97.5 | Very high | 70 Ų | 70 | 49.9 Ų | 49.9 | 31% | 0.307 | 26% | 0.261 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 150.9 | 178.6 | 61.9 | -86.8 | 0 | 0 | 0 | 111.3 | N69 V85 G86 L96 | N69-F94 CarbonylContact O-C 3.55Å; N69-F94 VanDerWaalsContact O-CA 3.25Å; N69-F94 WeakPolarHBondContact O-CA 3.18Å; V85-F94 CarbonylContact C-O 3.54Å; V85-F94 WeakPolarHBondContact CA-O 3.4Å; G86-F94 VanDerWaalsContact C-CE1 3.48Å; G86-F94 PolarHBondContact N-O 3.44Å; G86-F94 WeakPolarHBondContact O-CD1 3.43Å; G86-F94 PolarHBondContact O-N 3.22Å; G86-F94 VanDerWaalsContact O-N 3.13Å; F94-L96 HydrophobicContact CD2-CD2 4.16Å; F94-L96 HydrophobicContact CE2-CD2 3.52Å; F94-L96 HydrophobicContact CZ-CD2 4.33Å |
| 95 | A | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 53.4 Ų | 53.4 | 1% | 0.008 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 137.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | V65 G68 N69 L71 V137 | V65-A95 HydrophobicContact CB-CB 4.47Å; V65-A95 HydrophobicContact CG2-CB 3.91Å; G68-A95 WeakPolarHBondContact CA-O 3.2Å; G68-A95 PolarHBondContact N-O 2.85Å; N69-A95 PolarHBondContact O-N 2.9Å; L71-A95 HydrophobicContact CD1-CB 4.47Å; L71-A95 HydrophobicContact CD2-CB 4.27Å; L71-A95 HydrophobicContact CG-CB 4.48Å; A95-V137 HydrophobicContact CB-CG2 4.02Å |
| 96 | L | 97.5 | Very high | 97.4 | Very high | 91 Ų | 91 | 56.4 Ų | 56.4 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | S | Bend | trans | -90.5 | -27.8 | 172.4 | -63.1 | 174.5 | 0 | 0 | 0 | 111.9 | A67 H84 F94 | A67-L96 VanDerWaalsContact CB-O 3.26Å; A67-L96 WeakPolarHBondContact CB-O 3.37Å; H84-L96 WeakPolarHBondContact O-CB 3.47Å; H84-L96 PolarHBondContact O-N 3.02Å; F94-L96 HydrophobicContact CD2-CD2 4.16Å; F94-L96 HydrophobicContact CE2-CD2 3.52Å; F94-L96 HydrophobicContact CZ-CD2 4.33Å |
| 97 | E | 96.9 | Very high | 97.3 | Very high | 52 Ų | 52 | 59.1 Ų | 59.1 | 24% | 0.243 | 30% | 0.303 | C | S | . | . | S | Bend | trans | -130.1 | 164.3 | -176.3 | -74.4 | 171.9 | -146.3 | 0 | 0 | 112.1 | H84 P139 | H84-E97 HydrophobicContact CB-CB 4.36Å; H84-E97 IonicContact CE1-OE1 3.32Å; H84-E97 PolarHBondContact CE1-OE1 2.98Å; H84-E97 VanDerWaalsContact CE1-OE1 3.32Å; H84-E97 IonicContact CE1-OE2 3.43Å; H84-E97 PolarHBondContact CE1-OE2 3.31Å; H84-E97 IonicContact CG-OE1 3.78Å; H84-E97 IonicContact CG-OE2 3.68Å; H84-E97 IonicContact ND1-OE1 2.71Å; H84-E97 PolarHBondContact ND1-OE1 2.85Å; H84-E97 IonicContact ND1-OE2 3.13Å; H84-E97 PolarHBondContact ND1-OE2 2.8Å; H84-E97 VanDerWaalsContact ND1-OE2 3.13Å; E97-P139 WeakPolarHBondContact OE2-CB 3.26Å |
| 98 | D | 96.9 | Very high | 97.2 | Very high | 34 Ų | 34 | 58.1 Ų | 58.1 | 18% | 0.182 | 29% | 0.294 | C | S | . | . | S | Bend | trans | -77.5 | 119.9 | 173.8 | -71.6 | -5.8 | 0 | 0 | 0 | 110.4 | F64 V65 H66 A67 P139 V140 K141 | F64-D98 HydrophobicContact CZ-CB 4.35Å; V65-D98 CarbonylContact O-C 3.54Å; V65-D98 VanDerWaalsContact O-CA 3.31Å; V65-D98 WeakPolarHBondContact O-CA 3.46Å; H66-D98 WeakPolarHBondContact CA-OD1 3.39Å; H66-D98 IonicContact CG-OD1 3.99Å; H66-D98 IonicContact ND1-OD1 3.62Å; H66-D98 IonicContact ND1-OD2 3.87Å; A67-D98 PolarHBondContact N-OD1 2.88Å; D98-P139 WeakPolarHBondContact O-CA 3.46Å; D98-V140 PolarHBondContact O-N 2.81Å; D98-K141 IonicContact OD2-NZ 2.76Å; D98-K141 PolarHBondContact OD2-NZ 3.44Å |
| 99 | G | 97.5 | Very high | 97 | Very high | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -175.1 | -171.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | F64 V65 M138 | F64-G99 CarbonylContact C-O 3.58Å; F64-G99 WeakPolarHBondContact CA-O 3.23Å; F64-G99 WeakPolarHBondContact CD2-O 3.31Å; V65-G99 WeakPolarHBondContact CG2-O 3.39Å; V65-G99 PolarHBondContact N-O 2.9Å; V65-G99 PolarHBondContact O-N 3.5Å; G99-M138 CarbonylContact C-O 3.57Å; G99-M138 WeakPolarHBondContact CA-O 3.18Å |
| 100 | H | 98 | Very high | 96.7 | Very high | 69 Ų | 69 | 58 Ų | 58 | 32% | 0.319 | 28% | 0.283 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.9 | 173 | -71.3 | -83.3 | 0 | 0 | 0 | 111.4 | G62 S63 F64 V137 M138 | G62-H100 PolarHBondContact O-ND1 3.03Å; S63-H100 WeakPolarHBondContact O-CA 3.07Å; F64-H100 AromaticContact CD2-NE2 3.94Å; H100-V137 WeakPolarHBondContact O-CA 3.43Å; H100-M138 PolarHBondContact N-O 2.76Å; H100-M138 PolarHBondContact O-N 3.24Å |
| 101 | V | 98.3 | Very high | 96.4 | Very high | 1 Ų | 1 | 56.2 Ų | 56.2 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 133 | 177.7 | -178.8 | 0 | 0 | 0 | 0 | 110.5 | K59 G62 S63 V65 L71 F103 I135 N136 | K59-V101 HydrophobicContact CB-CG2 4.19Å; G62-V101 PolarHBondContact N-O 3.42Å; S63-V101 PolarHBondContact O-N 2.8Å; V65-V101 HydrophobicContact CB-CG2 4.43Å; V65-V101 HydrophobicContact CG1-CG2 3.61Å; V65-V101 HydrophobicContact CG2-CG2 3.89Å; L71-V101 HydrophobicContact CD2-CG2 3.69Å; V101-F103 HydrophobicContact CG1-CD2 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.77Å; V101-F103 HydrophobicContact CG1-CZ 4.27Å; V101-I135 HydrophobicContact CG1-CG2 3.69Å; V101-N136 CarbonylContact C-O 3.6Å; V101-N136 WeakPolarHBondContact CA-O 3.4Å |
| 102 | R | 97.9 | Very high | 96 | Very high | 118 Ų | 118 | 59.9 Ų | 59.9 | 45% | 0.445 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 136.7 | 174.1 | -68.7 | -61.4 | -176.2 | -175.8 | 2.5 | 112.5 | D61 N136 | D61-R102 VanDerWaalsContact OD1-CA 3.23Å; D61-R102 WeakPolarHBondContact OD1-CA 3.16Å; D61-R102 IonicContact OD2-CZ 3.97Å; D61-R102 IonicContact OD2-NH1 2.85Å; D61-R102 PolarHBondContact OD2-NH1 3.09Å; R102-N136 HydrophobicContact CB-CB 4.46Å; R102-N136 PolarHBondContact N-O 3.42Å; R102-N136 PolarHBondContact O-N 3.46Å |
| 103 | F | 97.3 | Very high | 95.7 | Very high | 58 Ų | 58 | 70.3 Ų | 70.3 | 25% | 0.254 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 130.3 | 175 | -68.7 | -93.4 | 0 | 0 | 0 | 111.6 | F57 D61 V101 T133 F134 I135 | F57-F103 HydrophobicContact CD1-CE1 4.3Å; F57-F103 AromaticContact CD1-CZ 3.99Å; F57-F103 HydrophobicContact CD1-CZ 3.99Å; F57-F103 AromaticContact CE1-CE1 3.38Å; F57-F103 HydrophobicContact CE1-CE1 3.38Å; F57-F103 AromaticContact CE1-CZ 3.5Å; F57-F103 HydrophobicContact CE1-CZ 3.5Å; F57-F103 VanDerWaalsContact CE1-CZ 3.5Å; F57-F103 AromaticContact CZ-CE1 3.65Å; F57-F103 HydrophobicContact CZ-CE1 3.65Å; F57-F103 AromaticContact CZ-CZ 3.93Å; F57-F103 HydrophobicContact CZ-CZ 3.93Å; D61-F103 HydrophobicContact CB-CD2 3.75Å; D61-F103 HydrophobicContact CB-CE2 4.15Å; D61-F103 WeakPolarHBondContact OD1-CD2 3.24Å; D61-F103 PolarHBondContact OD1-N 2.75Å; V101-F103 HydrophobicContact CG1-CD2 4.36Å; V101-F103 HydrophobicContact CG1-CE2 3.77Å; V101-F103 HydrophobicContact CG1-CZ 4.27Å; F103-T133 HydrophobicContact CD1-CG2 4.39Å; F103-F134 WeakPolarHBondContact CA-O 3.31Å; F103-I135 HydrophobicContact CD1-CD1 4.33Å; F103-I135 HydrophobicContact CD1-CG1 3.87Å; F103-I135 HydrophobicContact CE1-CB 4.43Å; F103-I135 HydrophobicContact CE1-CD1 3.44Å; F103-I135 VanDerWaalsContact CE1-CD1 3.44Å; F103-I135 HydrophobicContact CE1-CG1 3.48Å; F103-I135 VanDerWaalsContact CE1-CG1 3.48Å; F103-I135 HydrophobicContact CE1-CG2 4.34Å; F103-I135 HydrophobicContact CZ-CD1 3.94Å; F103-I135 HydrophobicContact CZ-CG1 4.26Å; F103-I135 HydrophobicContact CZ-CG2 4.39Å |
| 104 | T | 97.7 | Very high | 95.2 | Very high | 45 Ų | 45 | 73.6 Ų | 73.6 | 28% | 0.276 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.4 | 179.9 | 55.9 | 0 | 0 | 0 | 0 | 111.2 | E106 T133 F134 N136 | T104-E106 WeakPolarHBondContact CB-OE1 3.39Å; T104-E106 PolarHBondContact OG1-OE1 3.26Å; T104-T133 CarbonylContact O-C 3.43Å; T104-T133 WeakPolarHBondContact O-CA 3.47Å; T104-F134 PolarHBondContact N-O 2.93Å; T104-F134 VanDerWaalsContact N-O 3.08Å; T104-F134 PolarHBondContact O-N 2.96Å; T104-N136 PolarHBondContact OG1-ND2 3.45Å; T104-N136 VanDerWaalsContact OG1-ND2 3.11Å |
| 105 | K | 97.7 | Very high | 94.8 | Very high | 146 Ų | 146 | 74 Ų | 74 | 64% | 0.635 | 37% | 0.374 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 102.6 | 172 | -63.4 | -68.5 | -176.6 | 170.9 | 0 | 107.7 | K132 T133 | K105-K132 WeakPolarHBondContact CA-O 3.15Å; K105-T133 HydrophobicContact CD-CG2 4.23Å; K105-T133 PolarHBondContact NZ-OG1 2.88Å |
| 106 | E | 97.1 | Very high | 94.4 | Very high | 74 Ų | 74 | 80.9 Ų | 80.9 | 35% | 0.346 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 160.8 | -173.6 | -59.1 | 170.8 | -162.6 | 0 | 0 | 110.6 | T104 Y108 Y131 K132 F134 N136 | T104-E106 WeakPolarHBondContact CB-OE1 3.39Å; T104-E106 PolarHBondContact OG1-OE1 3.26Å; E106-Y108 PolarHBondContact O-N 2.82Å; E106-Y131 WeakPolarHBondContact O-CA 3.33Å; E106-K132 PolarHBondContact N-O 3.26Å; E106-K132 PolarHBondContact O-N 3.07Å; E106-F134 HydrophobicContact CB-CD2 3.6Å; E106-F134 HydrophobicContact CB-CE2 3.77Å; E106-F134 HydrophobicContact CB-CG 4.39Å; E106-F134 HydrophobicContact CG-CD2 4.18Å; E106-N136 PolarHBondContact OE1-ND2 2.84Å |
| 107 | V | 96.3 | Very high | 94 | Very high | 67 Ų | 67 | 77.9 Ų | 77.9 | 41% | 0.406 | 39% | 0.391 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 128.6 | 176.5 | 177.1 | 0 | 0 | 0 | 0 | 109.3 | I109 V129 L130 Y131 | V107-I109 HydrophobicContact CG1-CD1 4.46Å; V107-I109 HydrophobicContact CG1-CG1 4.03Å; V107-I109 PolarHBondContact O-N 2.94Å; V107-V129 HydrophobicContact CB-CG1 4.05Å; V107-V129 HydrophobicContact CG1-CG1 3.33Å; V107-V129 HydrophobicContact CG2-CG1 3.64Å; V107-L130 CarbonylContact C-O 3.58Å; V107-L130 WeakPolarHBondContact CA-O 3.39Å; V107-Y131 HydrophobicContact CG2-CD1 4.15Å; V107-Y131 HydrophobicContact CG2-CE1 3.58Å |
| 108 | Y | 95 | Very high | 93.6 | Very high | 52 Ų | 52 | 78.1 Ų | 78.1 | 20% | 0.204 | 40% | 0.396 | C | S | . | . | trans | -89.2 | 108.6 | -179.6 | 179.7 | -110.7 | 0 | 0 | 0 | 111.1 | H80 E106 P110 V117 L130 K132 F134 | H80-Y108 AromaticContact CE1-CD2 3.97Å; H80-Y108 AromaticContact CE1-CE2 3.5Å; H80-Y108 VanDerWaalsContact CE1-CE2 3.5Å; H80-Y108 WeakPolarHBondContact CE1-CE2 3.46Å; H80-Y108 AromaticContact ND1-CE2 3.64Å; E106-Y108 PolarHBondContact O-N 2.82Å; Y108-P110 HydrophobicContact CE1-CB 4.01Å; Y108-P110 HydrophobicContact CE1-CG 4.29Å; Y108-V117 HydrophobicContact CE1-CG1 3.88Å; Y108-L130 HydrophobicContact CD1-CD1 4.42Å; Y108-L130 PolarHBondContact N-O 3.21Å; Y108-K132 HydrophobicContact CD1-CG 4.39Å; Y108-K132 HydrophobicContact CD2-CB 4.44Å; Y108-K132 HydrophobicContact CD2-CG 3.9Å; Y108-K132 HydrophobicContact CG-CG 3.68Å; Y108-F134 HydrophobicContact CD2-CZ 4.29Å | ||
| 109 | I | 92.2 | Very high | 93.4 | Very high | 146 Ų | 146 | 84.5 Ų | 84.5 | 75% | 0.749 | 42% | 0.418 | S | S | * | . | trans | -114.4 | 103.2 | 175.3 | -54.2 | 177.2 | 0 | 0 | 0 | 107.4 | V107 | V107-I109 HydrophobicContact CG1-CD1 4.46Å; V107-I109 HydrophobicContact CG1-CG1 4.03Å; V107-I109 PolarHBondContact O-N 2.94Å | ||
| 110 | P | 90.3 | Very high | 93.1 | Very high | 29 Ų | 29 | 88.5 Ų | 88.5 | 19% | 0.188 | 44% | 0.442 | C | S | . | . | trans | -76.1 | 160.4 | 178.6 | 35.1 | -40.1 | 0 | 0 | 0 | 111.7 | Y108 V117 I121 | Y108-P110 HydrophobicContact CE1-CB 4.01Å; Y108-P110 HydrophobicContact CE1-CG 4.29Å; P110-V117 HydrophobicContact CB-CB 4.28Å; P110-V117 HydrophobicContact CB-CG1 3.75Å; P110-V117 HydrophobicContact CG-CB 4.33Å; P110-V117 HydrophobicContact CG-CG1 3.54Å; P110-I121 HydrophobicContact CG-CD1 3.41Å; P110-I121 VanDerWaalsContact CG-CD1 3.41Å | ||
| 111 | A | 89.6 | Confident | 92.8 | Very high | 68 Ų | 68 | 88.3 Ų | 88.3 | 56% | 0.562 | 44% | 0.442 | S | S | * | . | trans | -65.2 | 143.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | R113 D114 | A111-R113 PolarHBondContact O-N 3.18Å; A111-D114 PolarHBondContact O-N 3.43Å | ||
| 112 | P | 87.9 | Confident | 92.5 | Very high | 121 Ų | 121 | 93.2 Ų | 93.2 | 79% | 0.786 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | -6.3 | -175.7 | 27.3 | -35.9 | 0 | 0 | 0 | 114.3 | ||
| 113 | R | 91 | Very high | 92.3 | Very high | 235 Ų | 235 | 95.9 Ų | 95.9 | 89% | 0.887 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | -18.3 | -177.2 | -66 | -177.4 | -175.9 | 163.3 | 1.5 | 113.8 | A111 P115 | A111-R113 PolarHBondContact O-N 3.18Å; R113-P115 VanDerWaalsContact O-CD 3.24Å; R113-P115 WeakPolarHBondContact O-CD 2.99Å |
| 114 | D | 88.7 | Confident | 92.2 | Very high | 69 Ų | 69 | 95.8 Ų | 95.8 | 37% | 0.369 | 49% | 0.489 | S | S | . | . | trans | -85.8 | 108.1 | -175.4 | -164.6 | -26.3 | 0 | 0 | 0 | 110.8 | A111 E116 V117 T118 | A111-D114 PolarHBondContact O-N 3.43Å; D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.37Å; D114-E116 PolarHBondContact OD1-N 3.46Å; D114-V117 HydrophobicContact CB-CB 4.34Å; D114-V117 HydrophobicContact CB-CG2 4.12Å; D114-V117 WeakPolarHBondContact OD2-CG2 3.5Å; D114-T118 WeakPolarHBondContact O-CB 3.4Å; D114-T118 PolarHBondContact O-N 3.12Å; D114-T118 VanDerWaalsContact O-N 3.12Å; D114-T118 PolarHBondContact O-OG1 2.9Å | ||
| 115 | P | 88.9 | Confident | 92.1 | Very high | 78 Ų | 78 | 97.8 Ų | 97.8 | 51% | 0.506 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.5 | -29 | -174.6 | 29.3 | -35 | 0 | 0 | 0 | 112 | R113 R119 | R113-P115 VanDerWaalsContact O-CD 3.24Å; R113-P115 WeakPolarHBondContact O-CD 2.99Å; P115-R119 WeakPolarHBondContact O-CB 3.43Å; P115-R119 WeakPolarHBondContact O-CD 3.37Å; P115-R119 WeakPolarHBondContact O-CG 3.46Å; P115-R119 PolarHBondContact O-N 2.77Å; P115-R119 VanDerWaalsContact O-N 3.13Å |
| 116 | E | 88.9 | Confident | 92 | Very high | 146 Ų | 146 | 101.1 Ų | 101.1 | 68% | 0.682 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.3 | -45.8 | -179 | -65.7 | -168.5 | 168.6 | 0 | 0 | 110.7 | D114 R119 V120 | D114-E116 VanDerWaalsContact C-N 3.3Å; D114-E116 PolarHBondContact O-N 3.37Å; D114-E116 PolarHBondContact OD1-N 3.46Å; E116-R119 PolarHBondContact O-N 2.89Å; E116-V120 PolarHBondContact O-N 2.83Å |
| 117 | V | 89.7 | Confident | 91.7 | Very high | 28 Ų | 28 | 101.4 Ų | 101.4 | 17% | 0.17 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -69.8 | -40.6 | -179.2 | -169.8 | 0 | 0 | 0 | 0 | 110.7 | Y108 P110 D114 R119 V120 I121 | Y108-V117 HydrophobicContact CE1-CG1 3.88Å; P110-V117 HydrophobicContact CB-CB 4.28Å; P110-V117 HydrophobicContact CB-CG1 3.75Å; P110-V117 HydrophobicContact CG-CB 4.33Å; P110-V117 HydrophobicContact CG-CG1 3.54Å; D114-V117 HydrophobicContact CB-CB 4.34Å; D114-V117 HydrophobicContact CB-CG2 4.12Å; D114-V117 WeakPolarHBondContact OD2-CG2 3.5Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.13Å; V117-V120 PolarHBondContact O-N 3.05Å; V117-V120 VanDerWaalsContact O-N 3.09Å; V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 HydrophobicContact CG1-CG1 4.21Å; V117-I121 WeakPolarHBondContact O-CG1 3.49Å; V117-I121 PolarHBondContact O-N 3.48Å |
| 118 | T | 88.8 | Confident | 91.7 | Very high | 56 Ų | 56 | 101.9 Ų | 101.9 | 34% | 0.344 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.5 | -46.1 | 176.6 | -56.1 | 0 | 0 | 0 | 0 | 110.9 | D114 V120 I121 T122 | D114-T118 WeakPolarHBondContact O-CB 3.4Å; D114-T118 PolarHBondContact O-N 3.12Å; D114-T118 VanDerWaalsContact O-N 3.12Å; D114-T118 PolarHBondContact O-OG1 2.9Å; T118-V120 PolarHBondContact O-N 3.47Å; T118-I121 PolarHBondContact O-N 2.85Å; T118-T122 HydrophobicContact CG2-CG2 4.13Å; T118-T122 VanDerWaalsContact O-CG2 3.24Å; T118-T122 WeakPolarHBondContact O-CG2 3.48Å; T118-T122 PolarHBondContact O-N 3.17Å; T118-T122 PolarHBondContact O-OG1 2.84Å; T118-T122 VanDerWaalsContact O-OG1 3.07Å |
| 119 | R | 91.8 | Very high | 91.7 | Very high | 169 Ų | 169 | 102.7 Ų | 102.7 | 64% | 0.638 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.7 | -29.7 | 177.4 | -74.8 | 168.1 | -175.2 | -170.5 | 2.7 | 114 | P115 E116 V117 T122 K123 | P115-R119 WeakPolarHBondContact O-CB 3.43Å; P115-R119 WeakPolarHBondContact O-CD 3.37Å; P115-R119 WeakPolarHBondContact O-CG 3.46Å; P115-R119 PolarHBondContact O-N 2.77Å; P115-R119 VanDerWaalsContact O-N 3.13Å; E116-R119 PolarHBondContact O-N 2.89Å; V117-R119 VanDerWaalsContact C-N 3.32Å; V117-R119 PolarHBondContact O-N 3.13Å; R119-T122 PolarHBondContact O-OG1 3.48Å; R119-K123 WeakPolarHBondContact O-CD 3.18Å; R119-K123 VanDerWaalsContact O-CG 3.31Å; R119-K123 WeakPolarHBondContact O-CG 3.16Å |
| 120 | V | 91.4 | Very high | 91.7 | Very high | 84 Ų | 84 | 98.2 Ų | 98.2 | 51% | 0.509 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -79.8 | -49.6 | 177.5 | 174.7 | 0 | 0 | 0 | 0 | 110 | E116 V117 T118 T122 K123 | E116-V120 PolarHBondContact O-N 2.83Å; V117-V120 PolarHBondContact O-N 3.05Å; V117-V120 VanDerWaalsContact O-N 3.09Å; T118-V120 PolarHBondContact O-N 3.47Å; V120-T122 VanDerWaalsContact C-N 3.32Å; V120-T122 PolarHBondContact O-N 2.81Å; V120-K123 PolarHBondContact O-N 3.49Å; V120-K123 VanDerWaalsContact O-N 3.11Å |
| 121 | I | 91.9 | Very high | 92 | Very high | 64 Ų | 64 | 104 Ų | 104 | 33% | 0.328 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -61.6 | -40.8 | -176.9 | -68.5 | 176.5 | 0 | 0 | 0 | 111.3 | P110 V117 T118 K123 L124 L130 | P110-I121 HydrophobicContact CG-CD1 3.41Å; P110-I121 VanDerWaalsContact CG-CD1 3.41Å; V117-I121 HydrophobicContact CG1-CD1 3.74Å; V117-I121 HydrophobicContact CG1-CG1 4.21Å; V117-I121 WeakPolarHBondContact O-CG1 3.49Å; V117-I121 PolarHBondContact O-N 3.48Å; T118-I121 PolarHBondContact O-N 2.85Å; I121-K123 PolarHBondContact O-N 2.88Å; I121-L124 WeakPolarHBondContact O-CB 3.37Å; I121-L124 PolarHBondContact O-N 3.13Å; I121-L130 HydrophobicContact CG1-CD1 4.03Å |
| 122 | T | 91.6 | Very high | 92.4 | Very high | 105 Ų | 105 | 104.8 Ų | 104.8 | 64% | 0.644 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -21.8 | 179.4 | 55.7 | 0 | 0 | 0 | 0 | 113.7 | T118 R119 V120 | T118-T122 HydrophobicContact CG2-CG2 4.13Å; T118-T122 VanDerWaalsContact O-CG2 3.24Å; T118-T122 WeakPolarHBondContact O-CG2 3.48Å; T118-T122 PolarHBondContact O-N 3.17Å; T118-T122 PolarHBondContact O-OG1 2.84Å; T118-T122 VanDerWaalsContact O-OG1 3.07Å; R119-T122 PolarHBondContact O-OG1 3.48Å; V120-T122 VanDerWaalsContact C-N 3.32Å; V120-T122 PolarHBondContact O-N 2.81Å |
| 123 | K | 94.4 | Very high | 92.8 | Very high | 174 Ų | 174 | 100.1 Ų | 100.1 | 76% | 0.757 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.2 | -7.5 | 178.6 | -67.2 | 177.1 | -175.7 | -176.4 | 0 | 112.7 | R119 V120 I121 | R119-K123 WeakPolarHBondContact O-CD 3.18Å; R119-K123 VanDerWaalsContact O-CG 3.31Å; R119-K123 WeakPolarHBondContact O-CG 3.16Å; V120-K123 PolarHBondContact O-N 3.49Å; V120-K123 VanDerWaalsContact O-N 3.11Å; I121-K123 PolarHBondContact O-N 2.88Å |
| 124 | L | 94.4 | Very high | 93.2 | Very high | 56 Ų | 56 | 90.1 Ų | 90.1 | 29% | 0.293 | 47% | 0.473 | S | S | . | . | S | Bend | trans | -74.3 | 146.5 | -180 | -65.5 | 174.8 | 0 | 0 | 0 | 111 | I121 L130 | I121-L124 WeakPolarHBondContact O-CB 3.37Å; I121-L124 PolarHBondContact O-N 3.13Å; L124-L130 HydrophobicContact CD1-CD1 4.01Å; L124-L130 HydrophobicContact CD1-CD2 3.86Å; L124-L130 HydrophobicContact CD1-CG 3.84Å |
| 125 | P | 96.9 | Very high | 93.6 | Very high | 86 Ų | 86 | 86.8 Ų | 86.8 | 56% | 0.558 | 46% | 0.455 | S | S | * | . | P | Polyproline II helix | trans | -61.9 | 151 | 171.7 | -6.8 | 17.7 | 0 | 0 | 0 | 110.9 | G127 V128 | P125-G127 PolarHBondContact O-N 2.67Å; P125-V128 HydrophobicContact CB-CG2 4.01Å; P125-V128 HydrophobicContact CG-CG2 3.78Å; P125-V128 PolarHBondContact O-N 3.26Å |
| 126 | K | 94.4 | Very high | 94 | Very high | 217 Ų | 217 | 84.2 Ų | 84.2 | 94% | 0.943 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.9 | 134 | 174.1 | -64.5 | -176.5 | -179.5 | -179.3 | 0 | 110 | ||
| 127 | G | 92.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 77.3 Ų | 77.3 | 81% | 0.814 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 90.8 | -7.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | P125 | P125-G127 PolarHBondContact O-N 2.67Š|
| 128 | V | 95.1 | Very high | 94.8 | Very high | 77 Ų | 77 | 81.9 Ų | 81.9 | 47% | 0.467 | 43% | 0.426 | S | S | . | . | trans | -81.6 | 129.8 | 174.4 | 177.5 | 0 | 0 | 0 | 0 | 110.6 | P125 | P125-V128 HydrophobicContact CB-CG2 4.01Å; P125-V128 HydrophobicContact CG-CG2 3.78Å; P125-V128 PolarHBondContact O-N 3.26Å | ||
| 129 | V | 94.6 | Very high | 95.2 | Very high | 69 Ų | 69 | 81.6 Ų | 81.6 | 42% | 0.418 | 43% | 0.425 | S | S | . | . | trans | -115.5 | 136.6 | 179.4 | -176.5 | 0 | 0 | 0 | 0 | 109.8 | V107 Y131 | V107-V129 HydrophobicContact CB-CG1 4.05Å; V107-V129 HydrophobicContact CG1-CG1 3.33Å; V107-V129 HydrophobicContact CG2-CG1 3.64Å; V129-Y131 HydrophobicContact CB-CE2 4.09Å; V129-Y131 HydrophobicContact CG1-CE2 4.05Å | ||
| 130 | L | 94.1 | Very high | 95.2 | Very high | 53 Ų | 53 | 77.7 Ų | 77.7 | 28% | 0.277 | 42% | 0.42 | S | S | . | . | trans | -88.8 | 124.5 | 175 | -63.7 | -179.6 | 0 | 0 | 0 | 109.6 | V107 Y108 I121 L124 | V107-L130 CarbonylContact C-O 3.58Å; V107-L130 WeakPolarHBondContact CA-O 3.39Å; Y108-L130 HydrophobicContact CD1-CD1 4.42Å; Y108-L130 PolarHBondContact N-O 3.21Å; I121-L130 HydrophobicContact CG1-CD1 4.03Å; L124-L130 HydrophobicContact CD1-CD1 4.01Å; L124-L130 HydrophobicContact CD1-CD2 3.86Å; L124-L130 HydrophobicContact CD1-CG 3.84Å | ||
| 131 | Y | 96.3 | Very high | 95 | Very high | 149 Ų | 149 | 80.5 Ų | 80.5 | 58% | 0.584 | 43% | 0.425 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 139.9 | 171.3 | -69.4 | -88.8 | 0 | 0 | 0 | 110.8 | E106 V107 V129 | E106-Y131 WeakPolarHBondContact O-CA 3.33Å; V107-Y131 HydrophobicContact CG2-CD1 4.15Å; V107-Y131 HydrophobicContact CG2-CE1 3.58Å; V129-Y131 HydrophobicContact CB-CE2 4.09Å; V129-Y131 HydrophobicContact CG1-CE2 4.05Å |
| 132 | K | 96.9 | Very high | 94.5 | Very high | 85 Ų | 85 | 85.9 Ų | 85.9 | 37% | 0.37 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 161 | 174 | -68.4 | -65.9 | -177.1 | -179 | 0 | 110.8 | K105 E106 Y108 F134 | K105-K132 WeakPolarHBondContact CA-O 3.15Å; E106-K132 PolarHBondContact N-O 3.26Å; E106-K132 PolarHBondContact O-N 3.07Å; Y108-K132 HydrophobicContact CD1-CG 4.39Å; Y108-K132 HydrophobicContact CD2-CB 4.44Å; Y108-K132 HydrophobicContact CD2-CG 3.9Å; Y108-K132 HydrophobicContact CG-CG 3.68Å; K132-F134 HydrophobicContact CB-CD2 4.33Å; K132-F134 HydrophobicContact CB-CE2 3.75Å; K132-F134 HydrophobicContact CB-CZ 4.4Å; K132-F134 WeakPolarHBondContact O-CD2 3.49Å |
| 133 | T | 97.6 | Very high | 93.9 | Very high | 23 Ų | 23 | 89.2 Ų | 89.2 | 14% | 0.141 | 46% | 0.457 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.5 | 123 | 176.4 | -38.6 | 0 | 0 | 0 | 0 | 108.3 | Y79 H80 F103 T104 K105 | Y79-T133 HydrophobicContact CD1-CG2 3.86Å; Y79-T133 HydrophobicContact CE1-CG2 4.2Å; H80-T133 PolarHBondContact N-O 3.28Å; F103-T133 HydrophobicContact CD1-CG2 4.39Å; T104-T133 CarbonylContact O-C 3.43Å; T104-T133 WeakPolarHBondContact O-CA 3.47Å; K105-T133 HydrophobicContact CD-CG2 4.23Å; K105-T133 PolarHBondContact NZ-OG1 2.88Å |
| 134 | F | 98 | Very high | 93.3 | Very high | 25 Ų | 25 | 83.4 Ų | 83.4 | 11% | 0.11 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.5 | 147.3 | 176.8 | -71 | -100.3 | 0 | 0 | 0 | 109.9 | H80 P81 F103 T104 E106 Y108 K132 | H80-F134 HydrophobicContact CB-CD1 3.6Å; H80-F134 HydrophobicContact CB-CD2 4.47Å; H80-F134 HydrophobicContact CB-CE1 3.53Å; H80-F134 HydrophobicContact CB-CE2 4.43Å; H80-F134 HydrophobicContact CB-CG 4.1Å; H80-F134 HydrophobicContact CB-CZ 3.98Å; H80-F134 WeakPolarHBondContact O-CA 3.47Å; P81-F134 VanDerWaalsContact O-CD1 3.31Å; P81-F134 WeakPolarHBondContact O-CD1 3.49Å; F103-F134 WeakPolarHBondContact CA-O 3.31Å; T104-F134 PolarHBondContact N-O 2.93Å; T104-F134 VanDerWaalsContact N-O 3.08Å; T104-F134 PolarHBondContact O-N 2.96Å; E106-F134 HydrophobicContact CB-CD2 3.6Å; E106-F134 HydrophobicContact CB-CE2 3.77Å; E106-F134 HydrophobicContact CB-CG 4.39Å; E106-F134 HydrophobicContact CG-CD2 4.18Å; Y108-F134 HydrophobicContact CD2-CZ 4.29Å; K132-F134 HydrophobicContact CB-CD2 4.33Å; K132-F134 HydrophobicContact CB-CE2 3.75Å; K132-F134 HydrophobicContact CB-CZ 4.4Å; K132-F134 WeakPolarHBondContact O-CD2 3.49Å |
| 135 | I | 97.9 | Very high | 92.9 | Very high | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 47% | 0.47 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 123.8 | 169.3 | -48.5 | -169.7 | 0 | 0 | 0 | 107 | F57 L71 A72 Y79 H80 G82 V85 L93 V101 F103 | F57-I135 HydrophobicContact CE1-CD1 4.09Å; L71-I135 HydrophobicContact CD1-CG2 3.89Å; A72-I135 HydrophobicContact CB-CD1 4.24Å; Y79-I135 HydrophobicContact CG-CD1 4.15Å; Y79-I135 HydrophobicContact CG-CG1 4.46Å; H80-I135 PolarHBondContact O-N 3.17Å; G82-I135 WeakPolarHBondContact CA-O 3.41Å; G82-I135 PolarHBondContact N-O 2.92Å; V85-I135 WeakPolarHBondContact CG2-O 3.25Å; L93-I135 HydrophobicContact CD1-CB 4.48Å; L93-I135 HydrophobicContact CD1-CD1 3.55Å; L93-I135 HydrophobicContact CD1-CG1 3.99Å; V101-I135 HydrophobicContact CG1-CG2 3.69Å; F103-I135 HydrophobicContact CD1-CD1 4.33Å; F103-I135 HydrophobicContact CD1-CG1 3.87Å; F103-I135 HydrophobicContact CE1-CB 4.43Å; F103-I135 HydrophobicContact CE1-CD1 3.44Å; F103-I135 VanDerWaalsContact CE1-CD1 3.44Å; F103-I135 HydrophobicContact CE1-CG1 3.48Å; F103-I135 VanDerWaalsContact CE1-CG1 3.48Å; F103-I135 HydrophobicContact CE1-CG2 4.34Å; F103-I135 HydrophobicContact CZ-CD1 3.94Å; F103-I135 HydrophobicContact CZ-CG1 4.26Å; F103-I135 HydrophobicContact CZ-CG2 4.39Å |
| 136 | N | 98 | Very high | 92.5 | Very high | 23 Ų | 23 | 95.3 Ų | 95.3 | 12% | 0.123 | 49% | 0.487 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 150.6 | 178.2 | -63 | -32.8 | 0 | 0 | 0 | 109 | G82 A83 V101 R102 T104 E106 | G82-N136 WeakPolarHBondContact CA-OD1 3.5Å; A83-N136 HydrophobicContact CB-CB 4.47Å; A83-N136 PolarHBondContact N-OD1 3.43Å; A83-N136 WeakPolarHBondContact O-CA 3.48Å; V101-N136 CarbonylContact C-O 3.6Å; V101-N136 WeakPolarHBondContact CA-O 3.4Å; R102-N136 HydrophobicContact CB-CB 4.46Å; R102-N136 PolarHBondContact N-O 3.42Å; R102-N136 PolarHBondContact O-N 3.46Å; T104-N136 PolarHBondContact OG1-ND2 3.45Å; T104-N136 VanDerWaalsContact OG1-ND2 3.11Å; E106-N136 PolarHBondContact OE1-ND2 2.84Å |
| 137 | V | 98 | Very high | 92.3 | Very high | 1 Ų | 1 | 92.8 Ų | 92.8 | 1% | 0.006 | 48% | 0.476 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 120.6 | 166.3 | 175.7 | 0 | 0 | 0 | 0 | 107.5 | V65 L71 A83 H84 V85 A95 H100 P139 | V65-V137 HydrophobicContact CG2-CG1 3.96Å; V65-V137 HydrophobicContact CG2-CG2 4.1Å; L71-V137 HydrophobicContact CD1-CG2 3.9Å; A83-V137 PolarHBondContact O-N 2.8Å; H84-V137 HydrophobicContact CB-CB 4.2Å; H84-V137 PolarHBondContact CD2-O 3.02Å; H84-V137 VanDerWaalsContact CD2-O 3.26Å; V85-V137 HydrophobicContact CG2-CB 4.46Å; V85-V137 HydrophobicContact CG2-CG2 3.76Å; A95-V137 HydrophobicContact CB-CG2 4.02Å; H100-V137 WeakPolarHBondContact O-CA 3.43Å; V137-P139 WeakPolarHBondContact O-CD 3.11Å |
| 138 | M | 96.9 | Very high | 92.3 | Very high | 124 Ų | 124 | 95.3 Ų | 95.3 | 61% | 0.611 | 47% | 0.47 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.7 | 111.4 | 175.9 | 179.8 | -171.2 | 178 | 0 | 0 | 108.9 | G99 H100 | G99-M138 CarbonylContact C-O 3.57Å; G99-M138 WeakPolarHBondContact CA-O 3.18Å; H100-M138 PolarHBondContact N-O 2.76Å; H100-M138 PolarHBondContact O-N 3.24Å |
| 139 | P | 96 | Very high | 92.2 | Very high | 50 Ų | 50 | 97.5 Ų | 97.5 | 33% | 0.325 | 48% | 0.484 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.9 | 140.6 | -178.1 | 25.5 | -32.7 | 0 | 0 | 0 | 111.8 | E97 D98 V137 | E97-P139 WeakPolarHBondContact OE2-CB 3.26Å; D98-P139 WeakPolarHBondContact O-CA 3.46Å; V137-P139 WeakPolarHBondContact O-CD 3.11Å |
| 140 | V | 92.4 | Very high | 92.1 | Very high | 88 Ų | 88 | 100.3 Ų | 100.3 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | trans | -96.7 | -33.4 | 177.8 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | F64 D98 | F64-V140 HydrophobicContact CD2-CG2 4.38Å; F64-V140 HydrophobicContact CE2-CB 4.41Å; F64-V140 HydrophobicContact CE2-CG2 4.05Å; D98-V140 PolarHBondContact O-N 2.81Å | ||
| 141 | K | 86.6 | Confident | 91.7 | Very high | 142 Ų | 142 | 105 Ų | 105 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -86.8 | 130.9 | -178.6 | -66.6 | 173.9 | -177.9 | 163.9 | 0 | 109.3 | D98 | D98-K141 IonicContact OD2-NZ 2.76Å; D98-K141 PolarHBondContact OD2-NZ 3.44Å |
| 142 | Q | 81.9 | Confident | 91 | Very high | 178 Ų | 178 | 108 Ų | 108 | 83% | 0.832 | 55% | 0.554 | S | S | * | * | trans | -79.8 | 129.6 | 168.5 | -170.1 | 172.2 | 1.9 | 0 | 0 | 109.1 | G144 | Q142-G144 VanDerWaalsContact C-N 3.26Å; Q142-G144 PolarHBondContact O-N 3.47Å | ||
| 143 | E | 78.4 | Confident | 90.8 | Very high | 175 Ų | 175 | 109.2 Ų | 109.2 | 82% | 0.818 | 56% | 0.564 | S | S | * | * | S | Bend | trans | -73.7 | 77.2 | -179.2 | -60.3 | -170.5 | 158.5 | 0 | 0 | 110.9 | ||
| 144 | G | 81.9 | Confident | 90.4 | Very high | 51 Ų | 51 | 113.7 Ų | 113.7 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | trans | 117.8 | 122.5 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q142 | Q142-G144 VanDerWaalsContact C-N 3.26Å; Q142-G144 PolarHBondContact O-N 3.47Å | ||
| 145 | K | 86.9 | Confident | 90 | Very high | 181 Ų | 181 | 118.7 Ų | 118.7 | 79% | 0.787 | 61% | 0.612 | S | S | * | * | trans | -108.1 | 114.5 | 164 | -178.6 | 173.2 | -179.2 | 175.5 | 0 | 107.2 | K147 | K145-K147 PolarHBondContact O-N 3.13Š| ||
| 146 | F | 88.5 | Confident | 89.5 | Confident | 211 Ų | 211 | 125.6 Ų | 125.6 | 93% | 0.925 | 65% | 0.648 | S | S | * | * | trans | -62.8 | 123.6 | 169.8 | -62.3 | -78.1 | 0 | 0 | 0 | 108.3 | ||||
| 147 | K | 90 | Very high | 89 | Confident | 165 Ų | 165 | 132.1 Ų | 132.1 | 72% | 0.717 | 68% | 0.681 | S | S | * | * | trans | -110.6 | 132.8 | 171.6 | -64.2 | -177.1 | -176.6 | 178.4 | 0 | 106.6 | K145 V149 | K145-K147 PolarHBondContact O-N 3.13Å; K147-V149 PolarHBondContact O-N 3.25Å | ||
| 148 | L | 93 | Very high | 88.4 | Confident | 132 Ų | 132 | 140.8 Ų | 140.8 | 69% | 0.691 | 73% | 0.726 | S | S | * | * | trans | -60.7 | 121.9 | 167 | -179.4 | 66.8 | 0 | 0 | 0 | 107.4 | D150 L151 | L148-D150 WeakPolarHBondContact CD1-O 3.29Å; L148-L151 HydrophobicContact CD1-CD2 4.17Å; L148-L151 HydrophobicContact CD2-CD2 3.66Å; L148-L151 HydrophobicContact CD2-CG 3.91Å; L148-L151 HydrophobicContact CG-CD2 4.43Å | ||
| 149 | V | 93.2 | Very high | 87.8 | Confident | 123 Ų | 123 | 142 Ų | 142 | 75% | 0.745 | 73% | 0.734 | S | S | * | * | trans | -88.7 | -53.8 | 179 | -178.6 | 0 | 0 | 0 | 0 | 108.8 | K147 | K147-V149 PolarHBondContact O-N 3.25Š| ||
| 150 | D | 90.9 | Very high | 87.1 | Confident | 127 Ų | 127 | 149.1 Ų | 149.1 | 68% | 0.679 | 77% | 0.766 | S | S | * | * | trans | -141 | 149.6 | 178.8 | -66.6 | -50.6 | 0 | 0 | 0 | 111.6 | L148 | L148-D150 WeakPolarHBondContact CD1-O 3.29Š| ||
| 151 | L | 85.7 | Confident | 86.7 | Confident | 153 Ų | 153 | 154.2 Ų | 154.2 | 80% | 0.801 | 79% | 0.785 | S | S | * | * | trans | -94.4 | 115 | 163.6 | -68.7 | 172.7 | 0 | 0 | 0 | 107.2 | L148 | L148-L151 HydrophobicContact CD1-CD2 4.17Å; L148-L151 HydrophobicContact CD2-CD2 3.66Å; L148-L151 HydrophobicContact CD2-CG 3.91Å; L148-L151 HydrophobicContact CG-CD2 4.43Å | ||
| 152 | V | 83.3 | Confident | 86.7 | Confident | 212 Ų | 212 | 155.3 Ų | 155.3 | 100% | 1.285 | 80% | 0.801 | S | S | * | * | trans | -81.1 | 0 | 170.6 | -178.7 | 0 | 0 | 0 | 0 | 109.3 |
Retrieved 152 of 152 residues in 362.5 ms
(Link to these results)