| 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 | 36.2 | Very low | 33.8 | Very low | 247 Ų | 247 | 140.8 Ų | 140.8 | 100% | 1.217 | 81% | 0.807 | S | S | * | * | 0 | 167.7 | 0 | -77.5 | 94.2 | 80.4 | 0 | 0 | 110 | |||||
| 2 | G | 38.2 | Very low | 33.3 | Very low | 80 Ų | 80 | 144.5 Ų | 144.5 | 83% | 0.825 | 81% | 0.806 | S | S | * | * | trans | 102.5 | 79.3 | 164.9 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 3 | K | 40.2 | Very low | 32.9 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -81.4 | 150.9 | 150.6 | -85 | -175.7 | 172.2 | -176 | 0 | 108.7 | ||||
| 4 | G | 33.2 | Very low | 32.5 | Very low | 79 Ų | 79 | 145.2 Ų | 145.2 | 81% | 0.814 | 80% | 0.797 | S | S | * | * | trans | -131.5 | 114.5 | 163.2 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 5 | Q | 42.1 | Very low | 32.3 | Very low | 157 Ų | 157 | 140.8 Ų | 140.8 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | trans | -130.9 | 139 | 172.5 | -69.4 | 179.5 | -93 | 0 | 0 | 109.3 | ||||
| 6 | S | 32.9 | Very low | 32.4 | Very low | 111 Ų | 111 | 142.2 Ų | 142.2 | 78% | 0.776 | 78% | 0.779 | S | S | * | * | trans | -153.4 | 134.3 | 159.6 | 38.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 7 | H | 31.8 | Very low | 32.3 | Very low | 155 Ų | 155 | 141 Ų | 141 | 72% | 0.718 | 77% | 0.772 | S | S | * | * | 67.7 | 137.6 | 52 | -68.9 | -121.3 | 0 | 0 | 0 | 111.6 | |||||
| 8 | L | 32.2 | Very low | 32.2 | Very low | 140 Ų | 140 | 137.6 Ų | 137.6 | 73% | 0.733 | 77% | 0.765 | S | S | * | * | cis | -166.5 | 159.4 | 4.7 | -130.2 | 33 | 0 | 0 | 0 | 106.6 | ||||
| 9 | S | 30.1 | Very low | 32.1 | Very low | 94 Ų | 94 | 137.8 Ų | 137.8 | 66% | 0.657 | 76% | 0.764 | S | S | * | * | cis | 179.3 | -178.8 | -15.7 | 55.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 10 | K | 27.1 | Very low | 31.9 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 81% | 0.809 | 76% | 0.763 | S | S | * | * | trans | 86 | 89.1 | 139.6 | -161.5 | 177.2 | -176.3 | -177.6 | 0 | 120.7 | ||||
| 11 | S | 27.9 | Very low | 31.8 | Very low | 108 Ų | 108 | 135.1 Ų | 135.1 | 76% | 0.755 | 77% | 0.766 | S | S | * | * | 34.9 | 133.6 | 110.2 | -177.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 12 | K | 27.7 | Very low | 31.4 | Very low | 185 Ų | 185 | 128 Ų | 128 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | 142.2 | 143.1 | 125.2 | -163.3 | 170.1 | -172.6 | -179.5 | 0 | 111.7 | |||||
| 13 | D | 28.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 127.8 Ų | 127.8 | 62% | 0.62 | 74% | 0.744 | S | S | * | * | cis | 175.1 | 156.2 | -26 | 175.7 | 29.7 | 0 | 0 | 0 | 108.2 | ||||
| 14 | E | 27.8 | Very low | 30.6 | Very low | 183 Ų | 183 | 127.9 Ų | 127.9 | 86% | 0.855 | 75% | 0.747 | S | S | * | * | trans | 166.6 | 104.3 | 160.1 | -99.1 | 171.8 | 155 | 0 | 0 | 108.3 | ||||
| 15 | S | 29.5 | Very low | 30.5 | Very low | 79 Ų | 79 | 134.3 Ų | 134.3 | 55% | 0.552 | 75% | 0.753 | S | S | * | * | 67.5 | 108.2 | 85.7 | -85.9 | 0 | 0 | 0 | 0 | 115 | |||||
| 16 | Q | 33.2 | Very low | 30 | Very low | 163 Ų | 163 | 138.9 Ų | 138.9 | 76% | 0.762 | 76% | 0.764 | S | S | * | * | 83 | 147.4 | 100 | -73.3 | -179.2 | -83 | 0 | 0 | 113.2 | |||||
| 17 | D | 31.3 | Very low | 29.8 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 65% | 0.652 | 76% | 0.763 | S | S | * | * | cis | -159.2 | -178.3 | -4.3 | -122.1 | -47.8 | 0 | 0 | 0 | 106.9 | ||||
| 18 | A | 30.2 | Very low | 29.7 | Very low | 79 Ų | 79 | 136.5 Ų | 136.5 | 65% | 0.653 | 76% | 0.764 | S | S | * | * | cis | -160.1 | 174.9 | 5.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 19 | L | 30.1 | Very low | 29.7 | Very low | 143 Ų | 143 | 137.9 Ų | 137.9 | 75% | 0.749 | 77% | 0.767 | S | S | * | * | trans | -25 | 163.2 | 151.6 | -59.8 | 99.2 | 0 | 0 | 0 | 118.4 | ||||
| 20 | T | 28.3 | Very low | 29.7 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 73% | 0.73 | 77% | 0.773 | S | S | * | * | cis | -173.5 | 154.8 | -6.7 | 24.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 21 | A | 28.8 | Very low | 29.9 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 83% | 0.826 | 77% | 0.774 | S | S | * | * | trans | 59.1 | 176.1 | 148.5 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 22 | A | 28.6 | Very low | 30.4 | Very low | 96 Ų | 96 | 141.5 Ų | 141.5 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | cis | -135.4 | 172.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 23 | G | 33.8 | Very low | 30.6 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -104.9 | 133.1 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 24 | E | 28.2 | Very low | 31.5 | Very low | 194 Ų | 194 | 135.8 Ų | 135.8 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -130.8 | 143.1 | 168 | -75.1 | -164.8 | 106.4 | 0 | 0 | 111 | ||||
| 25 | F | 31.1 | Very low | 32 | Very low | 213 Ų | 213 | 134.9 Ų | 134.9 | 93% | 0.934 | 76% | 0.764 | S | S | * | * | trans | -90.4 | 134.4 | 169 | -94.1 | -105.7 | 0 | 0 | 0 | 109.6 | ||||
| 26 | R | 31.2 | Very low | 33 | Very low | 254 Ų | 254 | 140.4 Ų | 140.4 | 96% | 0.958 | 78% | 0.781 | S | S | * | * | trans | -157.5 | 165 | 130.6 | -123.3 | 174.9 | 162.7 | 154.5 | -4.5 | 115.1 | ||||
| 27 | D | 29.5 | Very low | 33.2 | Very low | 144 Ų | 144 | 135.8 Ų | 135.8 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -91.4 | 162 | -166.7 | -178.8 | 28.8 | 0 | 0 | 0 | 112.7 | ||||
| 28 | G | 30 | Very low | 34 | Very low | 71 Ų | 71 | 137.2 Ų | 137.2 | 73% | 0.732 | 79% | 0.785 | S | S | * | * | trans | -174.6 | 84.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 29 | Q | 32.2 | Very low | 35.1 | Very low | 170 Ų | 170 | 139 Ų | 139 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | trans | -74.5 | 128 | 171.1 | -56.5 | 177.3 | -60.2 | 0 | 0 | 111.3 | ||||
| 30 | T | 28.8 | Very low | 36.3 | Very low | 127 Ų | 127 | 136 Ų | 136 | 78% | 0.779 | 78% | 0.778 | S | S | * | * | -173.2 | 133.4 | 118.2 | 27.1 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 31 | E | 31.9 | Very low | 37.3 | Very low | 179 Ų | 179 | 138.6 Ų | 138.6 | 84% | 0.836 | 78% | 0.782 | S | S | * | * | trans | 33.6 | 119.2 | 135.6 | -58.8 | 179.2 | 159.9 | 0 | 0 | 122.4 | ||||
| 32 | D | 37.3 | Very low | 38.3 | Very low | 158 Ų | 158 | 141.8 Ų | 141.8 | 85% | 0.845 | 78% | 0.778 | S | S | * | * | trans | 43.4 | 110.2 | 131.7 | -159.4 | 34.9 | 0 | 0 | 0 | 122 | ||||
| 33 | D | 32.1 | Very low | 39.1 | Very low | 119 Ų | 119 | 142.4 Ų | 142.4 | 64% | 0.636 | 77% | 0.774 | S | S | * | * | -154.1 | 143.3 | 125.6 | -175.6 | 21.7 | 0 | 0 | 0 | 110.1 | K35 | D33-K35 IonicContact OD1-NZ 3.78Å; D33-K35 IonicContact OD2-NZ 2.59Å; D33-K35 PolarHBondContact OD2-NZ 3.24Å | |||
| 34 | G | 47.7 | Very low | 39.9 | Very low | 61 Ų | 61 | 145.6 Ų | 145.6 | 63% | 0.629 | 76% | 0.763 | S | S | * | * | trans | -91.2 | 108.2 | -178 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 35 | K | 38.8 | Very low | 41.3 | Very low | 164 Ų | 164 | 140.9 Ų | 140.9 | 71% | 0.713 | 75% | 0.747 | S | S | * | * | trans | -136.8 | 113.6 | 164.6 | -94.6 | 113.3 | -166.8 | 168.6 | 0 | 114.6 | D33 G37 | D33-K35 IonicContact OD1-NZ 3.78Å; D33-K35 IonicContact OD2-NZ 2.59Å; D33-K35 PolarHBondContact OD2-NZ 3.24Å; K35-G37 PolarHBondContact O-N 3.17Å | ||
| 36 | H | 49.9 | Very low | 42.6 | Very low | 195 Ų | 195 | 136.9 Ų | 136.9 | 90% | 0.903 | 73% | 0.731 | S | S | * | * | trans | 16 | 88.7 | 137.6 | -140.8 | 68.3 | 0 | 0 | 0 | 116.2 | D38 | H36-D38 PolarHBondContact O-N 2.83Š| ||
| 37 | G | 37 | Very low | 43.7 | Very low | 67 Ų | 67 | 133.5 Ų | 133.5 | 69% | 0.691 | 72% | 0.724 | S | S | * | * | trans | -68.8 | 115.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | K35 V39 | K35-G37 PolarHBondContact O-N 3.17Å; G37-V39 PolarHBondContact O-N 3.11Å | ||
| 38 | D | 49.5 | Very low | 45.1 | Very low | 152 Ų | 152 | 132 Ų | 132 | 81% | 0.813 | 72% | 0.72 | S | S | * | * | trans | -56.2 | 119.4 | -176.6 | -173.5 | 19.2 | 0 | 0 | 0 | 112.4 | H36 | H36-D38 PolarHBondContact O-N 2.83Š| ||
| 39 | V | 53.5 | Low | 46.2 | Very low | 116 Ų | 116 | 130.7 Ų | 130.7 | 70% | 0.703 | 71% | 0.707 | S | S | * | * | trans | -98.4 | 109.6 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 107.5 | G37 Q41 | G37-V39 PolarHBondContact O-N 3.11Å; V39-Q41 PolarHBondContact O-N 3.43Å | ||
| 40 | S | 54.4 | Low | 47.3 | Very low | 79 Ų | 79 | 134.6 Ų | 134.6 | 55% | 0.552 | 71% | 0.714 | S | S | * | * | trans | -58.7 | 100.5 | 177.5 | 41.4 | 0 | 0 | 0 | 0 | 111.1 | F42 | S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 WeakPolarHBondContact O-CD2 3.17Å; S40-F42 PolarHBondContact O-N 3.41Å | ||
| 41 | Q | 49.2 | Very low | 48.6 | Very low | 175 Ų | 175 | 136.1 Ų | 136.1 | 82% | 0.818 | 72% | 0.717 | S | S | * | * | trans | -73.2 | 75.6 | -176.1 | -175.2 | 76.9 | -7.2 | 0 | 0 | 110.6 | V39 | V39-Q41 PolarHBondContact O-N 3.43Š| ||
| 42 | F | 49.5 | Very low | 50 | Low | 167 Ų | 167 | 130.7 Ų | 130.7 | 73% | 0.732 | 70% | 0.699 | S | S | * | * | trans | -57.9 | 130 | 169.9 | -71.9 | -82.6 | 0 | 0 | 0 | 109.9 | S40 Y44 | S40-F42 VanDerWaalsContact C-N 3.26Å; S40-F42 WeakPolarHBondContact O-CD2 3.17Å; S40-F42 PolarHBondContact O-N 3.41Å; F42-Y44 PolarHBondContact O-N 2.94Å | ||
| 43 | P | 44.6 | Very low | 51.3 | Low | 109 Ų | 109 | 129.9 Ų | 129.9 | 71% | 0.708 | 70% | 0.699 | S | S | * | * | trans | -63.1 | 111.2 | 179.7 | -22.9 | 33.7 | 0 | 0 | 0 | 111.2 | V45 | P43-V45 PolarHBondContact O-N 2.98Š| ||
| 44 | Y | 52.4 | Low | 52.7 | Low | 143 Ų | 143 | 128.9 Ų | 128.9 | 56% | 0.561 | 70% | 0.698 | S | S | * | * | trans | -68.4 | 113.9 | 169.3 | 170.9 | -102.6 | 0 | 0 | 0 | 108.8 | F42 E46 G60 | F42-Y44 PolarHBondContact O-N 2.94Å; Y44-E46 HydrophobicContact CD1-CG 4.11Å; Y44-E46 HydrophobicContact CE1-CG 3.31Å; Y44-E46 WeakPolarHBondContact CE1-OE1 3.41Å; Y44-E46 PolarHBondContact OH-OE1 2.99Å; Y44-G60 PolarHBondContact OH-O 3.11Å; Y44-G60 VanDerWaalsContact OH-O 3.11Å | ||
| 45 | V | 57.8 | Low | 53.1 | Low | 95 Ų | 95 | 128.9 Ų | 128.9 | 58% | 0.576 | 69% | 0.688 | S | S | * | * | trans | -110 | 111 | -177.2 | -78 | 0 | 0 | 0 | 0 | 110.5 | P43 F47 | P43-V45 PolarHBondContact O-N 2.98Å; V45-F47 HydrophobicContact CB-CD2 4.48Å; V45-F47 HydrophobicContact CB-CE2 4.37Å; V45-F47 HydrophobicContact CG2-CD2 4.12Å; V45-F47 HydrophobicContact CG2-CE2 3.83Å; V45-F47 PolarHBondContact O-N 3.18Å | ||
| 46 | E | 57.9 | Low | 54.3 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | trans | -74.4 | 93.6 | 176.1 | -64.3 | -165.4 | 149.3 | 0 | 0 | 110.9 | Y44 T48 | Y44-E46 HydrophobicContact CD1-CG 4.11Å; Y44-E46 HydrophobicContact CE1-CG 3.31Å; Y44-E46 WeakPolarHBondContact CE1-OE1 3.41Å; Y44-E46 PolarHBondContact OH-OE1 2.99Å; E46-T48 HydrophobicContact CB-CG2 4.38Å; E46-T48 PolarHBondContact O-N 3.3Å; E46-T48 PolarHBondContact O-OG1 2.86Å | ||
| 47 | F | 54.5 | Low | 54.9 | Low | 182 Ų | 182 | 121.1 Ų | 121.1 | 80% | 0.798 | 67% | 0.67 | S | S | * | * | trans | -70.3 | 71 | 167.8 | -84.6 | -88.4 | 0 | 0 | 0 | 111.1 | V45 G49 | V45-F47 HydrophobicContact CB-CD2 4.48Å; V45-F47 HydrophobicContact CB-CE2 4.37Å; V45-F47 HydrophobicContact CG2-CD2 4.12Å; V45-F47 HydrophobicContact CG2-CE2 3.83Å; V45-F47 PolarHBondContact O-N 3.18Å; F47-G49 PolarHBondContact O-N 3.05Å | ||
| 48 | T | 58.4 | Low | 56.1 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 70% | 0.699 | 65% | 0.646 | S | S | * | * | trans | -74.1 | 54.5 | 169.9 | 43.5 | 0 | 0 | 0 | 0 | 111.4 | E46 | E46-T48 HydrophobicContact CB-CG2 4.38Å; E46-T48 PolarHBondContact O-N 3.3Å; E46-T48 PolarHBondContact O-OG1 2.86Å | ||
| 49 | G | 52.4 | Low | 56.9 | Low | 43 Ų | 43 | 119.5 Ų | 119.5 | 44% | 0.443 | 64% | 0.642 | S | S | . | * | trans | -62.5 | 147.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.2 | F47 D51 S52 | F47-G49 PolarHBondContact O-N 3.05Å; G49-D51 PolarHBondContact O-N 3.24Å; G49-S52 WeakPolarHBondContact O-CB 3.44Å; G49-S52 PolarHBondContact O-N 3.44Å; G49-S52 PolarHBondContact O-OG 3.46Å; G49-S52 VanDerWaalsContact O-OG 3.06Å | ||
| 50 | R | 56.5 | Low | 57.5 | Low | 252 Ų | 252 | 115.4 Ų | 115.4 | 95% | 0.951 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.5 | -19 | -169.8 | -97.8 | -179.2 | -177.9 | 162.5 | 3.2 | 116 | ||
| 51 | D | 55.5 | Low | 58.1 | Low | 158 Ų | 158 | 115.8 Ų | 115.8 | 85% | 0.845 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.7 | 14.5 | -178.2 | -51.3 | -73 | 0 | 0 | 0 | 113 | G49 V53 | G49-D51 PolarHBondContact O-N 3.24Å; D51-V53 PolarHBondContact O-N 3.15Å; D51-V53 VanDerWaalsContact O-N 3.12Å |
| 52 | S | 60.6 | Low | 58.7 | Low | 65 Ų | 65 | 110.3 Ų | 110.3 | 46% | 0.455 | 61% | 0.614 | S | S | . | * | trans | -74.2 | 101.7 | -178.5 | 67.8 | 0 | 0 | 0 | 0 | 112.1 | G49 T54 | G49-S52 WeakPolarHBondContact O-CB 3.44Å; G49-S52 PolarHBondContact O-N 3.44Å; G49-S52 PolarHBondContact O-OG 3.46Å; G49-S52 VanDerWaalsContact O-OG 3.06Å; S52-T54 PolarHBondContact O-N 3.35Å | ||
| 53 | V | 64.1 | Low | 59.4 | Low | 141 Ų | 141 | 112.2 Ų | 112.2 | 86% | 0.855 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 117.7 | 172.3 | -177.7 | 0 | 0 | 0 | 0 | 109.7 | D51 C55 | D51-V53 PolarHBondContact O-N 3.15Å; D51-V53 VanDerWaalsContact O-N 3.12Å; V53-C55 PolarHBondContact O-N 2.7Å |
| 54 | T | 63 | Low | 60.2 | Low | 99 Ų | 99 | 111.3 Ų | 111.3 | 61% | 0.607 | 60% | 0.604 | S | S | * | * | P | Polyproline II helix | trans | -65.9 | 130.5 | 176.2 | 37.8 | 0 | 0 | 0 | 0 | 111.2 | S52 | S52-T54 PolarHBondContact O-N 3.35Š|
| 55 | C | 56.1 | Low | 60.7 | Low | 61 Ų | 61 | 108.5 Ų | 108.5 | 41% | 0.412 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -63.2 | 121.3 | 177.4 | 176.3 | 0 | 0 | 0 | 0 | 109.9 | V53 T57 C58 Q59 | V53-C55 PolarHBondContact O-N 2.7Å; C55-T57 PolarHBondContact O-N 3.32Å; C55-T57 VanDerWaalsContact O-N 3.17Å; C55-C58 PolarHBondContact O-N 3.01Å; C55-Q59 VanDerWaalsContact O-CA 3.26Å; C55-Q59 WeakPolarHBondContact O-CA 3.31Å; C55-Q59 PolarHBondContact O-N 3.18Å |
| 56 | P | 63.9 | Low | 60.7 | Low | 112 Ų | 112 | 114.1 Ų | 114.1 | 73% | 0.727 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.8 | -24.9 | -173.5 | 25.4 | -34.7 | 0 | 0 | 0 | 113.1 | ||
| 57 | T | 63 | Low | 60.8 | Low | 83 Ų | 83 | 111.5 Ų | 111.5 | 51% | 0.509 | 62% | 0.622 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -76.9 | -28.1 | -175.5 | -42.4 | 0 | 0 | 0 | 0 | 113.9 | C55 L72 | C55-T57 PolarHBondContact O-N 3.32Å; C55-T57 VanDerWaalsContact O-N 3.17Å; T57-L72 HydrophobicContact CG2-CD2 3.63Å; T57-L72 HydrophobicContact CG2-CG 4.49Å |
| 58 | C | 62 | Low | 60.8 | Low | 29 Ų | 29 | 107.5 Ų | 107.5 | 20% | 0.196 | 61% | 0.606 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -126.4 | -0.7 | 178.7 | 64.7 | 0 | 0 | 0 | 0 | 113.7 | C55 G60 T61 | C55-C58 PolarHBondContact O-N 3.01Å; C58-G60 PolarHBondContact O-N 2.9Å; C58-G60 VanDerWaalsContact O-N 3.11Å; C58-T61 PolarHBondContact O-N 3.18Å; C58-T61 PolarHBondContact O-OG1 3.37Å |
| 59 | Q | 65 | Low | 60.5 | Low | 156 Ų | 156 | 106.2 Ų | 106.2 | 73% | 0.729 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 52.4 | 31.6 | -179.5 | -56.8 | -177.3 | 5.1 | 0 | 0 | 113.6 | C55 T61 | C55-Q59 VanDerWaalsContact O-CA 3.26Å; C55-Q59 WeakPolarHBondContact O-CA 3.31Å; C55-Q59 PolarHBondContact O-N 3.18Å; Q59-T61 VanDerWaalsContact C-N 3.26Å; Q59-T61 PolarHBondContact O-N 3.11Å |
| 60 | G | 67.3 | Low | 60.4 | Low | 31 Ų | 31 | 111.3 Ų | 111.3 | 32% | 0.32 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 86.5 | -32.6 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Y44 C58 G62 | Y44-G60 PolarHBondContact OH-O 3.11Å; Y44-G60 VanDerWaalsContact OH-O 3.11Å; C58-G60 PolarHBondContact O-N 2.9Å; C58-G60 VanDerWaalsContact O-N 3.11Å; G60-G62 PolarHBondContact O-N 2.7Å |
| 61 | T | 67.1 | Low | 60.1 | Low | 86 Ų | 86 | 106 Ų | 106 | 53% | 0.528 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -61.1 | -5.2 | -169.6 | 71.8 | 0 | 0 | 0 | 0 | 117.1 | C58 Q59 R63 | C58-T61 PolarHBondContact O-N 3.18Å; C58-T61 PolarHBondContact O-OG1 3.37Å; Q59-T61 VanDerWaalsContact C-N 3.26Å; Q59-T61 PolarHBondContact O-N 3.11Å; T61-R63 PolarHBondContact O-N 3Å; T61-R63 PolarHBondContact OG1-O 2.71Å |
| 62 | G | 62 | Low | 59.9 | Low | 61 Ų | 61 | 101.6 Ų | 101.6 | 63% | 0.629 | 57% | 0.571 | S | S | * | * | S | Bend | trans | 66.4 | -0.4 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | G60 | G60-G62 PolarHBondContact O-N 2.7Š|
| 63 | R | 62.4 | Low | 59.4 | Low | 207 Ų | 207 | 103.1 Ų | 103.1 | 78% | 0.781 | 58% | 0.577 | S | S | * | * | trans | -124 | 146.8 | -178.5 | -63.7 | -178 | 178.5 | -175.8 | -0.9 | 110.4 | T61 | T61-R63 PolarHBondContact O-N 3Å; T61-R63 PolarHBondContact OG1-O 2.71Å | ||
| 64 | I | 61.2 | Low | 59 | Low | 89 Ų | 89 | 101 Ų | 101 | 46% | 0.456 | 58% | 0.575 | S | S | . | * | trans | -107.3 | 129.2 | -178.9 | -67.8 | 151.9 | 0 | 0 | 0 | 108.1 | R66 L72 | I64-R66 PolarHBondContact O-N 3.3Å; I64-L72 HydrophobicContact CD1-CD2 3.82Å; I64-L72 HydrophobicContact CG1-CD2 4.1Å; I64-L72 HydrophobicContact CG2-CD1 3.79Å; I64-L72 HydrophobicContact CG2-CD2 3.81Å; I64-L72 HydrophobicContact CG2-CG 4.42Å | ||
| 65 | P | 63.1 | Low | 58.6 | Low | 84 Ų | 84 | 102.6 Ų | 102.6 | 55% | 0.545 | 58% | 0.579 | S | S | . | * | trans | -61.3 | 119.9 | 179.5 | -25.6 | 35.6 | 0 | 0 | 0 | 112.9 | G67 Q68 | P65-G67 PolarHBondContact O-N 2.82Å; P65-G67 VanDerWaalsContact O-N 3.12Å; P65-Q68 PolarHBondContact O-N 2.78Å; P65-Q68 VanDerWaalsContact O-N 3.08Å | ||
| 66 | R | 58.6 | Low | 58.4 | Low | 213 Ų | 213 | 105.5 Ų | 105.5 | 80% | 0.804 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | 109.6 | 174 | -68.8 | -154 | 173.1 | -105.9 | 8.4 | 109.9 | I64 E69 | I64-R66 PolarHBondContact O-N 3.3Å; R66-E69 VanDerWaalsContact CA-OE1 3.31Å; R66-E69 WeakPolarHBondContact CA-OE1 3.15Å; R66-E69 WeakPolarHBondContact CB-OE1 3.42Å; R66-E69 WeakPolarHBondContact CD-OE1 3.47Å; R66-E69 WeakPolarHBondContact CG-OE1 3.44Å; R66-E69 IonicContact CZ-OE1 3.95Å; R66-E69 IonicContact NH1-OE1 3.14Å; R66-E69 PolarHBondContact NH1-OE1 2.91Å; R66-E69 VanDerWaalsContact NH1-OE1 3.14Å; R66-E69 IonicContact NH1-OE2 2.93Å; R66-E69 PolarHBondContact NH1-OE2 3.33Å |
| 67 | G | 59.1 | Low | 57.5 | Low | 75 Ų | 75 | 103.6 Ų | 103.6 | 77% | 0.773 | 58% | 0.577 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 139 | -28.8 | -164.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | P65 | P65-G67 PolarHBondContact O-N 2.82Å; P65-G67 VanDerWaalsContact O-N 3.12Å |
| 68 | Q | 54.9 | Low | 56.8 | Low | 99 Ų | 99 | 111.2 Ų | 111.2 | 46% | 0.463 | 60% | 0.598 | S | S | . | * | S | Bend | trans | -98.9 | 0.8 | 172.2 | -157.7 | 166.2 | 8.3 | 0 | 0 | 113.1 | P65 N70 Q71 L72 | P65-Q68 PolarHBondContact O-N 2.78Å; P65-Q68 VanDerWaalsContact O-N 3.08Å; Q68-N70 PolarHBondContact O-N 3.14Å; Q68-N70 VanDerWaalsContact O-N 3.09Å; Q68-Q71 HydrophobicContact CG-CB 4.07Å; Q68-Q71 WeakPolarHBondContact O-CA 3.43Å; Q68-Q71 WeakPolarHBondContact O-CB 3.49Å; Q68-Q71 PolarHBondContact O-N 2.93Å; Q68-L72 HydrophobicContact CB-CD1 4.11Å; Q68-L72 HydrophobicContact CG-CD1 4.04Å; Q68-L72 VanDerWaalsContact O-CD1 3.3Å; Q68-L72 WeakPolarHBondContact O-CD1 3.48Å |
| 69 | E | 53.1 | Low | 56.4 | Low | 86 Ų | 86 | 114.8 Ų | 114.8 | 40% | 0.402 | 62% | 0.623 | S | S | . | * | G | 310 helix | trans | -50 | -39.2 | -176 | -63.1 | 179.6 | -126 | 0 | 0 | 113.3 | R66 Q71 L72 | R66-E69 VanDerWaalsContact CA-OE1 3.31Å; R66-E69 WeakPolarHBondContact CA-OE1 3.15Å; R66-E69 WeakPolarHBondContact CB-OE1 3.42Å; R66-E69 WeakPolarHBondContact CD-OE1 3.47Å; R66-E69 WeakPolarHBondContact CG-OE1 3.44Å; R66-E69 IonicContact CZ-OE1 3.95Å; R66-E69 IonicContact NH1-OE1 3.14Å; R66-E69 PolarHBondContact NH1-OE1 2.91Å; R66-E69 VanDerWaalsContact NH1-OE1 3.14Å; R66-E69 IonicContact NH1-OE2 2.93Å; R66-E69 PolarHBondContact NH1-OE2 3.33Å; E69-Q71 PolarHBondContact O-N 2.86Å; E69-Q71 VanDerWaalsContact O-N 3.14Å; E69-L72 PolarHBondContact O-N 3.22Å |
| 70 | N | 49.6 | Very low | 56 | Low | 151 Ų | 151 | 109.7 Ų | 109.7 | 81% | 0.807 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -65.7 | -14.2 | 178.1 | -63.5 | -16.7 | 0 | 0 | 0 | 114.3 | Q68 | Q68-N70 PolarHBondContact O-N 3.14Å; Q68-N70 VanDerWaalsContact O-N 3.09Å |
| 71 | Q | 49.7 | Very low | 55.2 | Low | 139 Ų | 139 | 116.3 Ų | 116.3 | 65% | 0.65 | 62% | 0.624 | S | S | * | * | G | 310 helix | trans | -103.5 | -2.7 | 175.1 | -156.3 | -178.3 | 12.1 | 0 | 0 | 112.5 | Q68 E69 | Q68-Q71 HydrophobicContact CG-CB 4.07Å; Q68-Q71 WeakPolarHBondContact O-CA 3.43Å; Q68-Q71 WeakPolarHBondContact O-CB 3.49Å; Q68-Q71 PolarHBondContact O-N 2.93Å; E69-Q71 PolarHBondContact O-N 2.86Å; E69-Q71 VanDerWaalsContact O-N 3.14Å |
| 72 | L | 52.6 | Low | 54.6 | Low | 66 Ų | 66 | 123 Ų | 123 | 35% | 0.346 | 64% | 0.639 | S | S | . | * | trans | -103.8 | 5.3 | 178 | -83.7 | 104.2 | 0 | 0 | 0 | 114.4 | T57 I64 Q68 E69 | T57-L72 HydrophobicContact CG2-CD2 3.63Å; T57-L72 HydrophobicContact CG2-CG 4.49Å; I64-L72 HydrophobicContact CD1-CD2 3.82Å; I64-L72 HydrophobicContact CG1-CD2 4.1Å; I64-L72 HydrophobicContact CG2-CD1 3.79Å; I64-L72 HydrophobicContact CG2-CD2 3.81Å; I64-L72 HydrophobicContact CG2-CG 4.42Å; Q68-L72 HydrophobicContact CB-CD1 4.11Å; Q68-L72 HydrophobicContact CG-CD1 4.04Å; Q68-L72 VanDerWaalsContact O-CD1 3.3Å; Q68-L72 WeakPolarHBondContact O-CD1 3.48Å; E69-L72 PolarHBondContact O-N 3.22Å | ||
| 73 | V | 49.7 | Very low | 54.3 | Low | 97 Ų | 97 | 125 Ų | 125 | 59% | 0.588 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -60.8 | 142.5 | 151.8 | -179.5 | 0 | 0 | 0 | 0 | 107.9 | L75 | V73-L75 HydrophobicContact CG1-CG 4.34Å; V73-L75 PolarHBondContact O-N 3.18Å |
| 74 | A | 55.2 | Low | 54 | Low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 63% | 0.63 | S | S | * | * | trans | -71.9 | 52.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | I76 | A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 2.03Å | ||
| 75 | L | 54.5 | Low | 54.1 | Low | 132 Ų | 132 | 122.7 Ų | 122.7 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | trans | -68 | 90.8 | 165 | -70.7 | 169 | 0 | 0 | 0 | 108.1 | V73 P77 | V73-L75 HydrophobicContact CG1-CG 4.34Å; V73-L75 PolarHBondContact O-N 3.18Å; L75-P77 WeakPolarHBondContact O-CD 3.33Å | ||
| 76 | I | 52.6 | Low | 54.2 | Low | 121 Ų | 121 | 123 Ų | 123 | 62% | 0.621 | 63% | 0.634 | S | S | * | * | trans | -49.9 | 116.3 | 161.6 | -60.2 | 171.5 | 0 | 0 | 0 | 105.8 | A74 Y78 D80 | A74-I76 VanDerWaalsContact C-N 3.32Å; A74-I76 PolarHBondContact O-N 2.03Å; I76-Y78 PolarHBondContact O-N 2.97Å; I76-D80 HydrophobicContact CG2-CB 4.19Å | ||
| 77 | P | 45.8 | Very low | 55.1 | Low | 73 Ų | 73 | 119.6 Ų | 119.6 | 47% | 0.474 | 62% | 0.621 | S | S | . | * | trans | -63 | 139.5 | -169.3 | 20.8 | -29.2 | 0 | 0 | 0 | 109.3 | L75 S79 D80 | L75-P77 WeakPolarHBondContact O-CD 3.33Å; P77-S79 PolarHBondContact O-N 2.94Å; P77-D80 HydrophobicContact CG-CB 4.05Å; P77-D80 WeakPolarHBondContact O-CB 3.32Å; P77-D80 PolarHBondContact O-N 2.95Å | ||
| 78 | Y | 48.3 | Very low | 56.1 | Low | 243 Ų | 243 | 119.1 Ų | 119.1 | 95% | 0.953 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.1 | -10.2 | -179.4 | -148.9 | -88.7 | 0 | 0 | 0 | 112.9 | I76 | I76-Y78 PolarHBondContact O-N 2.97Š|
| 79 | S | 52.2 | Low | 57.3 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 72% | 0.72 | 61% | 0.611 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.1 | 17.7 | 175 | 52.6 | 0 | 0 | 0 | 0 | 114.3 | P77 Q81 | P77-S79 PolarHBondContact O-N 2.94Å; S79-Q81 PolarHBondContact O-N 3.09Å |
| 80 | D | 56.7 | Low | 58.9 | Low | 49 Ų | 49 | 121.3 Ų | 121.3 | 26% | 0.262 | 61% | 0.614 | S | S | . | * | trans | -58.2 | 110.5 | 175.3 | -174.4 | -12.6 | 0 | 0 | 0 | 110.7 | I76 P77 R82 L83 | I76-D80 HydrophobicContact CG2-CB 4.19Å; P77-D80 HydrophobicContact CG-CB 4.05Å; P77-D80 WeakPolarHBondContact O-CB 3.32Å; P77-D80 PolarHBondContact O-N 2.95Å; D80-R82 PolarHBondContact O-N 3.41Å; D80-R82 VanDerWaalsContact OD1-CB 3.3Å; D80-R82 WeakPolarHBondContact OD1-CB 3.42Å; D80-R82 PolarHBondContact OD1-N 3Å; D80-L83 HydrophobicContact CB-CB 4.48Å; D80-L83 WeakPolarHBondContact O-CB 3.37Å; D80-L83 PolarHBondContact O-N 2.85Å; D80-L83 VanDerWaalsContact O-N 3.09Å | ||
| 81 | Q | 51.1 | Low | 60.7 | Low | 170 Ų | 170 | 121.2 Ų | 121.2 | 79% | 0.794 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.7 | -9.7 | -174.2 | -150.3 | 159.2 | -1.4 | 0 | 0 | 113.1 | S79 | S79-Q81 PolarHBondContact O-N 3.09Š|
| 82 | R | 54.3 | Low | 62.7 | Low | 226 Ų | 226 | 118.4 Ų | 118.4 | 85% | 0.853 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.8 | -34 | 165.8 | -58.8 | -169.1 | 74.4 | -167.5 | 3.2 | 111.3 | D80 R84 | D80-R82 PolarHBondContact O-N 3.41Å; D80-R82 VanDerWaalsContact OD1-CB 3.3Å; D80-R82 WeakPolarHBondContact OD1-CB 3.42Å; D80-R82 PolarHBondContact OD1-N 3Å; R82-R84 PolarHBondContact O-N 3.39Å |
| 83 | L | 55.6 | Low | 64.6 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 55% | 0.55 | 60% | 0.604 | S | S | . | * | S | Bend | trans | -76.3 | 50.4 | 173.7 | -111 | 72.3 | 0 | 0 | 0 | 111.7 | D80 P85 | D80-L83 HydrophobicContact CB-CB 4.48Å; D80-L83 WeakPolarHBondContact O-CB 3.37Å; D80-L83 PolarHBondContact O-N 2.85Å; D80-L83 VanDerWaalsContact O-N 3.09Å; L83-P85 WeakPolarHBondContact O-CA 3.38Å; L83-P85 VanDerWaalsContact O-CD 3.3Å; L83-P85 WeakPolarHBondContact O-CD 3.21Å |
| 84 | R | 55.8 | Low | 66.7 | Low | 177 Ų | 177 | 119 Ų | 119 | 67% | 0.668 | 60% | 0.598 | S | S | * | * | trans | -19.5 | 87.2 | -174.5 | -77 | -174.9 | 165.9 | -175.3 | -3.5 | 113.8 | R82 S86 R87 T88 | R82-R84 PolarHBondContact O-N 3.39Å; R84-S86 VanDerWaalsContact C-N 3.35Å; R84-S86 PolarHBondContact O-N 3.1Å; R84-R87 HydrophobicContact CB-CB 4.19Å; R84-R87 HydrophobicContact CB-CG 4.4Å; R84-R87 PolarHBondContact O-N 3.26Å; R84-T88 PolarHBondContact O-N 2.87Å; R84-T88 PolarHBondContact O-OG1 3.11Å | ||
| 85 | P | 64.1 | Low | 68.6 | Low | 69 Ų | 69 | 117.5 Ų | 117.5 | 45% | 0.448 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -71.2 | -29.9 | -153.2 | 21.4 | -33 | 0 | 0 | 0 | 113.4 | L83 K89 | L83-P85 WeakPolarHBondContact O-CA 3.38Å; L83-P85 VanDerWaalsContact O-CD 3.3Å; L83-P85 WeakPolarHBondContact O-CD 3.21Å; P85-K89 WeakPolarHBondContact O-CB 3.18Å; P85-K89 WeakPolarHBondContact O-CG 3.37Å; P85-K89 PolarHBondContact O-N 3.01Å |
| 86 | S | 65.3 | Low | 70.6 | Confident | 92 Ų | 92 | 115.1 Ų | 115.1 | 64% | 0.643 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -68.5 | -35.6 | 173.1 | 52.3 | 0 | 0 | 0 | 0 | 113.2 | R84 L90 | R84-S86 VanDerWaalsContact C-N 3.35Å; R84-S86 PolarHBondContact O-N 3.1Å; S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 2.91Å; S86-L90 VanDerWaalsContact O-N 3.14Å |
| 87 | R | 76.4 | Confident | 72.7 | Confident | 141 Ų | 141 | 112.1 Ų | 112.1 | 53% | 0.532 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.3 | -47.4 | 177.9 | -66 | -69.6 | 179.3 | 156.3 | -2.9 | 110.6 | R84 K89 L90 Y91 | R84-R87 HydrophobicContact CB-CB 4.19Å; R84-R87 HydrophobicContact CB-CG 4.4Å; R84-R87 PolarHBondContact O-N 3.26Å; R87-K89 PolarHBondContact O-N 3.15Å; R87-L90 PolarHBondContact O-N 3.3Å; R87-Y91 HydrophobicContact CB-CE2 4.17Å; R87-Y91 WeakPolarHBondContact O-CD2 3.44Å; R87-Y91 PolarHBondContact O-N 2.95Å |
| 88 | T | 80.2 | Confident | 75.2 | Confident | 65 Ų | 65 | 113.3 Ų | 113.3 | 40% | 0.399 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62 | -44.4 | 177.8 | -48.9 | 0 | 0 | 0 | 0 | 111.5 | R84 L90 Y91 V92 | R84-T88 PolarHBondContact O-N 2.87Å; R84-T88 PolarHBondContact O-OG1 3.11Å; T88-L90 PolarHBondContact O-N 2.86Å; T88-Y91 PolarHBondContact O-N 2.8Å; T88-V92 WeakPolarHBondContact O-CG2 3.08Å; T88-V92 PolarHBondContact O-N 2.76Å |
| 89 | K | 80.9 | Confident | 77.5 | Confident | 144 Ų | 144 | 105.6 Ų | 105.6 | 63% | 0.626 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -59.3 | -44.4 | 174.5 | -74.9 | 174.8 | -178.9 | -174.5 | 0 | 112 | P85 R87 V92 T93 | P85-K89 WeakPolarHBondContact O-CB 3.18Å; P85-K89 WeakPolarHBondContact O-CG 3.37Å; P85-K89 PolarHBondContact O-N 3.01Å; R87-K89 PolarHBondContact O-N 3.15Å; K89-V92 PolarHBondContact O-N 3.09Å; K89-T93 WeakPolarHBondContact O-CG2 3.28Å; K89-T93 PolarHBondContact O-N 2.91Å; K89-T93 PolarHBondContact O-OG1 2.92Å |
| 90 | L | 86.2 | Confident | 79.6 | Confident | 87 Ų | 87 | 105.7 Ų | 105.7 | 46% | 0.455 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -43.8 | 177.3 | -179.2 | 63.6 | 0 | 0 | 0 | 112.5 | S86 R87 T88 V92 T93 I94 | S86-L90 WeakPolarHBondContact O-CB 3.41Å; S86-L90 PolarHBondContact O-N 2.91Å; S86-L90 VanDerWaalsContact O-N 3.14Å; R87-L90 PolarHBondContact O-N 3.3Å; T88-L90 PolarHBondContact O-N 2.86Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.82Å; L90-T93 PolarHBondContact O-N 3.27Å; L90-T93 PolarHBondContact O-OG1 2.86Å; L90-T93 VanDerWaalsContact O-OG1 3.11Å; L90-I94 HydrophobicContact CD1-CD1 3.84Å; L90-I94 HydrophobicContact CD1-CG1 4.23Å; L90-I94 HydrophobicContact CG-CD1 3.85Å; L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 2.91Å |
| 91 | Y | 88.7 | Confident | 81.6 | Confident | 148 Ų | 148 | 108.2 Ų | 108.2 | 58% | 0.58 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.6 | -38.5 | 177 | -67 | -53.4 | 0 | 0 | 0 | 112.2 | R87 T88 S95 | R87-Y91 HydrophobicContact CB-CE2 4.17Å; R87-Y91 WeakPolarHBondContact O-CD2 3.44Å; R87-Y91 PolarHBondContact O-N 2.95Å; T88-Y91 PolarHBondContact O-N 2.8Å; Y91-S95 WeakPolarHBondContact O-CB 3.02Å; Y91-S95 PolarHBondContact O-N 3.26Å; Y91-S95 PolarHBondContact O-OG 3.07Å |
| 92 | V | 90.7 | Very high | 83.7 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 49% | 0.485 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.6 | -40.4 | 176.4 | 173 | 0 | 0 | 0 | 0 | 111.9 | T88 K89 L90 S95 V96 | T88-V92 WeakPolarHBondContact O-CG2 3.08Å; T88-V92 PolarHBondContact O-N 2.76Å; K89-V92 PolarHBondContact O-N 3.09Å; L90-V92 VanDerWaalsContact C-N 3.34Å; L90-V92 PolarHBondContact O-N 2.82Å; V92-S95 PolarHBondContact O-N 2.92Å; V92-S95 PolarHBondContact O-OG 2.84Å; V92-S95 VanDerWaalsContact O-OG 3.12Å; V92-V96 HydrophobicContact CG1-CG2 4.47Å; V92-V96 WeakPolarHBondContact O-CB 3.36Å; V92-V96 VanDerWaalsContact O-CG2 3.29Å; V92-V96 WeakPolarHBondContact O-CG2 3.49Å; V92-V96 PolarHBondContact O-N 3Å |
| 93 | T | 91.6 | Very high | 85.8 | Confident | 85 Ų | 85 | 96.7 Ų | 96.7 | 52% | 0.521 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.4 | -36.3 | 175.6 | 55.3 | 0 | 0 | 0 | 0 | 111.9 | K89 L90 A97 | K89-T93 WeakPolarHBondContact O-CG2 3.28Å; K89-T93 PolarHBondContact O-N 2.91Å; K89-T93 PolarHBondContact O-OG1 2.92Å; L90-T93 PolarHBondContact O-N 3.27Å; L90-T93 PolarHBondContact O-OG1 2.86Å; L90-T93 VanDerWaalsContact O-OG1 3.11Å; T93-A97 WeakPolarHBondContact O-CB 3.47Å; T93-A97 PolarHBondContact O-N 2.82Å |
| 94 | I | 94.9 | Very high | 87.7 | Confident | 92 Ų | 92 | 95.8 Ų | 95.8 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.7 | -44 | 174.2 | -70 | 170 | 0 | 0 | 0 | 111.2 | L90 A97 L98 | L90-I94 HydrophobicContact CD1-CD1 3.84Å; L90-I94 HydrophobicContact CD1-CG1 4.23Å; L90-I94 HydrophobicContact CG-CD1 3.85Å; L90-I94 WeakPolarHBondContact O-CB 3.47Å; L90-I94 VanDerWaalsContact O-CG1 3.25Å; L90-I94 WeakPolarHBondContact O-CG1 3.46Å; L90-I94 PolarHBondContact O-N 2.91Å; I94-A97 PolarHBondContact O-N 2.87Å; I94-L98 VanDerWaalsContact O-CB 3.23Å; I94-L98 WeakPolarHBondContact O-CB 3.11Å; I94-L98 PolarHBondContact O-N 3Å |
| 95 | S | 95.3 | Very high | 89.6 | Confident | 66 Ų | 66 | 91 Ų | 91 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 180 | 66.6 | 0 | 0 | 0 | 0 | 112.5 | Y91 V92 C99 | Y91-S95 WeakPolarHBondContact O-CB 3.02Å; Y91-S95 PolarHBondContact O-N 3.26Å; Y91-S95 PolarHBondContact O-OG 3.07Å; V92-S95 PolarHBondContact O-N 2.92Å; V92-S95 PolarHBondContact O-OG 2.84Å; V92-S95 VanDerWaalsContact O-OG 3.12Å; S95-C99 VanDerWaalsContact O-CB 3.24Å; S95-C99 WeakPolarHBondContact O-CB 3.21Å; S95-C99 PolarHBondContact O-N 3.26Å |
| 96 | V | 96.8 | Very high | 91 | Very high | 81 Ų | 81 | 89.9 Ų | 89.9 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 172.1 | 170.7 | 0 | 0 | 0 | 0 | 111 | V92 L98 C99 L100 | V92-V96 HydrophobicContact CG1-CG2 4.47Å; V92-V96 WeakPolarHBondContact O-CB 3.36Å; V92-V96 VanDerWaalsContact O-CG2 3.29Å; V92-V96 WeakPolarHBondContact O-CG2 3.49Å; V92-V96 PolarHBondContact O-N 3Å; V96-L98 PolarHBondContact O-N 3.13Å; V96-C99 PolarHBondContact O-N 3.11Å; V96-L100 HydrophobicContact CG1-CD1 4.05Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 3.18Å |
| 97 | A | 96.7 | Very high | 92.4 | Very high | 58 Ų | 58 | 89.8 Ų | 89.8 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | T93 I94 L100 L101 | T93-A97 WeakPolarHBondContact O-CB 3.47Å; T93-A97 PolarHBondContact O-N 2.82Å; I94-A97 PolarHBondContact O-N 2.87Å; A97-L100 PolarHBondContact O-N 3.03Å; A97-L101 WeakPolarHBondContact O-CB 3.17Å; A97-L101 PolarHBondContact O-N 3.21Å |
| 98 | L | 97.1 | Very high | 93.2 | Very high | 99 Ų | 99 | 88.1 Ų | 88.1 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 175.6 | -177.2 | 149.5 | 0 | 0 | 0 | 111.7 | I94 V96 L101 L102 | I94-L98 VanDerWaalsContact O-CB 3.23Å; I94-L98 WeakPolarHBondContact O-CB 3.11Å; I94-L98 PolarHBondContact O-N 3Å; V96-L98 PolarHBondContact O-N 3.13Å; L98-L101 PolarHBondContact O-N 2.72Å; L98-L102 HydrophobicContact CD2-CD1 3.65Å; L98-L102 HydrophobicContact CD2-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.87Å |
| 99 | C | 97.1 | Very high | 93.8 | Very high | 81 Ų | 81 | 89.5 Ų | 89.5 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.7 | -45.3 | 174.4 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | S95 V96 L102 S103 | S95-C99 VanDerWaalsContact O-CB 3.24Å; S95-C99 WeakPolarHBondContact O-CB 3.21Å; S95-C99 PolarHBondContact O-N 3.26Å; V96-C99 PolarHBondContact O-N 3.11Å; C99-L102 PolarHBondContact O-N 2.83Å; C99-S103 PolarHBondContact O-N 2.99Å; C99-S103 PolarHBondContact O-OG 3.06Å |
| 100 | L | 97.2 | Very high | 94.2 | Very high | 104 Ų | 104 | 87.3 Ų | 87.3 | 55% | 0.545 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.2 | -40.4 | 174.6 | -67.9 | 173.8 | 0 | 0 | 0 | 112.1 | V96 A97 S103 C104 | V96-L100 HydrophobicContact CG1-CD1 4.05Å; V96-L100 HydrophobicContact CG1-CG 4.46Å; V96-L100 WeakPolarHBondContact O-CG 3.39Å; V96-L100 PolarHBondContact O-N 3.18Å; A97-L100 PolarHBondContact O-N 3.03Å; L100-S103 PolarHBondContact O-N 3.16Å; L100-S103 PolarHBondContact O-OG 2.97Å; L100-S103 VanDerWaalsContact O-OG 3.11Å; L100-C104 VanDerWaalsContact O-CB 3.3Å; L100-C104 WeakPolarHBondContact O-CB 3.41Å; L100-C104 PolarHBondContact O-N 2.79Å; L100-C104 PolarHBondContact O-SG 2.83Å |
| 101 | L | 97.1 | Very high | 94.4 | Very high | 102 Ų | 102 | 89.9 Ų | 89.9 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.6 | -44.7 | 176 | -178.6 | 147.3 | 0 | 0 | 0 | 111.4 | A97 L98 L105 | A97-L101 WeakPolarHBondContact O-CB 3.17Å; A97-L101 PolarHBondContact O-N 3.21Å; L98-L101 PolarHBondContact O-N 2.72Å; L101-L105 HydrophobicContact CD2-CD1 3.65Å; L101-L105 HydrophobicContact CD2-CG 4.41Å; L101-L105 HydrophobicContact CG-CD1 4.45Å; L101-L105 WeakPolarHBondContact O-CB 3.5Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 2.85Å |
| 102 | L | 96.8 | Very high | 94.5 | Very high | 100 Ų | 100 | 85.8 Ų | 85.8 | 52% | 0.524 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -66.1 | -38.5 | 177.1 | -70.8 | 179.3 | 0 | 0 | 0 | 112.5 | L98 C99 L105 A106 | L98-L102 HydrophobicContact CD2-CD1 3.65Å; L98-L102 HydrophobicContact CD2-CG 4.25Å; L98-L102 WeakPolarHBondContact O-CG 3.41Å; L98-L102 PolarHBondContact O-N 2.87Å; C99-L102 PolarHBondContact O-N 2.83Å; L102-L105 PolarHBondContact O-N 3.02Å; L102-A106 WeakPolarHBondContact O-CB 3.2Å; L102-A106 PolarHBondContact O-N 2.83Å |
| 103 | S | 96.9 | Very high | 94.5 | Very high | 55 Ų | 55 | 86.1 Ų | 86.1 | 39% | 0.385 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.7 | -39.3 | 177.1 | 67.4 | 0 | 0 | 0 | 0 | 112.3 | C99 L100 L105 A106 V107 | C99-S103 PolarHBondContact O-N 2.99Å; C99-S103 PolarHBondContact O-OG 3.06Å; L100-S103 PolarHBondContact O-N 3.16Å; L100-S103 PolarHBondContact O-OG 2.97Å; L100-S103 VanDerWaalsContact O-OG 3.11Å; S103-L105 PolarHBondContact O-N 2.97Å; S103-A106 PolarHBondContact O-N 2.88Å; S103-V107 WeakPolarHBondContact O-CG2 3.48Å; S103-V107 PolarHBondContact O-N 2.86Å |
| 104 | C | 96 | Very high | 94.4 | Very high | 86 Ų | 86 | 85.1 Ų | 85.1 | 58% | 0.581 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.8 | -40.5 | 171.7 | -74.2 | 0 | 0 | 0 | 0 | 112.4 | L100 F108 | L100-C104 VanDerWaalsContact O-CB 3.3Å; L100-C104 WeakPolarHBondContact O-CB 3.41Å; L100-C104 PolarHBondContact O-N 2.79Å; L100-C104 PolarHBondContact O-SG 2.83Å; C104-F108 WeakPolarHBondContact O-CB 3.46Å; C104-F108 PolarHBondContact O-N 2.81Å |
| 105 | L | 95.6 | Very high | 94.4 | Very high | 75 Ų | 75 | 81 Ų | 81 | 39% | 0.393 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -65.4 | -45 | 173.5 | -73.2 | 175.7 | 0 | 0 | 0 | 111.8 | L101 L102 S103 V107 F108 F109 | L101-L105 HydrophobicContact CD2-CD1 3.65Å; L101-L105 HydrophobicContact CD2-CG 4.41Å; L101-L105 HydrophobicContact CG-CD1 4.45Å; L101-L105 WeakPolarHBondContact O-CB 3.5Å; L101-L105 VanDerWaalsContact O-CG 3.29Å; L101-L105 WeakPolarHBondContact O-CG 3.33Å; L101-L105 PolarHBondContact O-N 2.85Å; L102-L105 PolarHBondContact O-N 3.02Å; S103-L105 PolarHBondContact O-N 2.97Å; L105-V107 VanDerWaalsContact C-N 3.32Å; L105-V107 PolarHBondContact O-N 2.83Å; L105-F108 PolarHBondContact O-N 2.82Å; L105-F108 VanDerWaalsContact O-N 3.17Å; L105-F109 HydrophobicContact CB-CD2 4.39Å; L105-F109 HydrophobicContact CB-CE2 4.34Å; L105-F109 HydrophobicContact CD2-CE2 4.08Å; L105-F109 WeakPolarHBondContact O-CD2 3.04Å; L105-F109 PolarHBondContact O-N 3.32Å |
| 106 | A | 94.2 | Very high | 94.3 | Very high | 47 Ų | 47 | 80.9 Ų | 80.9 | 39% | 0.388 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59 | -43.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L102 S103 L110 | L102-A106 WeakPolarHBondContact O-CB 3.2Å; L102-A106 PolarHBondContact O-N 2.83Å; S103-A106 PolarHBondContact O-N 2.88Å; A106-L110 VanDerWaalsContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CB 3.47Å; A106-L110 VanDerWaalsContact O-CG 3.29Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.89Å |
| 107 | V | 93.3 | Very high | 94.2 | Very high | 90 Ų | 90 | 77.6 Ų | 77.6 | 55% | 0.545 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 172.6 | 173.3 | 0 | 0 | 0 | 0 | 110.9 | S103 L105 F109 L110 F111 | S103-V107 WeakPolarHBondContact O-CG2 3.48Å; S103-V107 PolarHBondContact O-N 2.86Å; L105-V107 VanDerWaalsContact C-N 3.32Å; L105-V107 PolarHBondContact O-N 2.83Å; V107-F109 VanDerWaalsContact C-N 3.29Å; V107-F109 PolarHBondContact O-N 2.94Å; V107-L110 PolarHBondContact O-N 2.84Å; V107-F111 HydrophobicContact CG1-CB 4.45Å; V107-F111 WeakPolarHBondContact O-CB 3.43Å; V107-F111 PolarHBondContact O-N 2.74Å |
| 108 | F | 93.3 | Very high | 94 | Very high | 105 Ų | 105 | 77.7 Ų | 77.7 | 46% | 0.461 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -59.4 | -35.5 | -178.9 | 178.1 | -93.9 | 0 | 0 | 0 | 114 | C104 L105 Y151 | C104-F108 WeakPolarHBondContact O-CB 3.46Å; C104-F108 PolarHBondContact O-N 2.81Å; L105-F108 PolarHBondContact O-N 2.82Å; L105-F108 VanDerWaalsContact O-N 3.17Å; F108-Y151 HydrophobicContact CD1-CE2 4.18Å; F108-Y151 HydrophobicContact CE1-CD2 4.46Å; F108-Y151 AromaticContact CE1-CE2 3.55Å; F108-Y151 HydrophobicContact CE1-CE2 3.55Å; F108-Y151 AromaticContact CE1-CZ 3.84Å; F108-Y151 AromaticContact CZ-CE2 3.97Å; F108-Y151 HydrophobicContact CZ-CE2 3.97Å |
| 109 | F | 92.6 | Very high | 93.7 | Very high | 95 Ų | 95 | 75.1 Ų | 75.1 | 42% | 0.417 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -86 | -26.8 | 179.4 | -70.3 | -60.4 | 0 | 0 | 0 | 114.4 | L105 V107 Y151 | L105-F109 HydrophobicContact CB-CD2 4.39Å; L105-F109 HydrophobicContact CB-CE2 4.34Å; L105-F109 HydrophobicContact CD2-CE2 4.08Å; L105-F109 WeakPolarHBondContact O-CD2 3.04Å; L105-F109 PolarHBondContact O-N 3.32Å; V107-F109 VanDerWaalsContact C-N 3.29Å; V107-F109 PolarHBondContact O-N 2.94Å; F109-Y151 HydrophobicContact CD1-CD1 4.2Å; F109-Y151 AromaticContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CE2 4.23Å; F109-Y151 AromaticContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CE1-CD1 4.35Å; F109-Y151 HydrophobicContact CE1-CD2 4.41Å; F109-Y151 HydrophobicContact CE1-CG 4.29Å |
| 110 | L | 90.6 | Very high | 93.3 | Very high | 98 Ų | 98 | 73.2 Ų | 73.2 | 51% | 0.513 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -103.4 | -13.2 | -176.5 | -61 | 174.4 | 0 | 0 | 0 | 114.2 | A106 V107 F231 | A106-L110 VanDerWaalsContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CB 3.47Å; A106-L110 VanDerWaalsContact O-CG 3.29Å; A106-L110 WeakPolarHBondContact O-CG 3.39Å; A106-L110 PolarHBondContact O-N 2.89Å; V107-L110 PolarHBondContact O-N 2.84Å; L110-F231 HydrophobicContact CD2-CE2 3.95Å; L110-F231 HydrophobicContact CD2-CZ 3.72Å |
| 111 | F | 90.9 | Very high | 92.8 | Very high | 141 Ų | 141 | 68.6 Ų | 68.6 | 62% | 0.618 | 37% | 0.373 | S | S | * | . | S | Bend | trans | -68.5 | 127.9 | 175.5 | -169.8 | -86.1 | 0 | 0 | 0 | 109.9 | V107 R113 | V107-F111 HydrophobicContact CG1-CB 4.45Å; V107-F111 WeakPolarHBondContact O-CB 3.43Å; V107-F111 PolarHBondContact O-N 2.74Å; F111-R113 PolarHBondContact O-N 2.65Å |
| 112 | P | 89.9 | Confident | 92.3 | Very high | 61 Ų | 61 | 64.8 Ų | 64.8 | 40% | 0.396 | 35% | 0.354 | S | S | . | . | trans | -65.4 | 135.3 | -173 | 26.1 | -34.5 | 0 | 0 | 0 | 111.8 | ||||
| 113 | R | 91.6 | Very high | 91.9 | Very high | 88 Ų | 88 | 64.7 Ų | 64.7 | 33% | 0.332 | 35% | 0.35 | S | S | . | . | trans | -108.6 | 162.1 | 169 | -68.3 | 178.7 | 167 | -169.1 | 0.6 | 109.6 | F111 N149 N150 Y151 | F111-R113 PolarHBondContact O-N 2.65Å; R113-N149 HydrophobicContact CB-CB 4.24Å; R113-N149 WeakPolarHBondContact CD-O 3.32Å; R113-N150 PolarHBondContact N-OD1 2.79Å; R113-N150 PolarHBondContact O-ND2 3.35Å; R113-N150 VanDerWaalsContact O-ND2 3.07Å; R113-N150 PolarHBondContact O-OD1 2.62Å; R113-Y151 PolarHBondContact NH1-OH 3.07Å; R113-Y151 VanDerWaalsContact NH2-CE2 3.28Å; R113-Y151 PolarHBondContact NH2-OH 3.32Å | ||
| 114 | S | 88.9 | Confident | 91.7 | Very high | 63 Ų | 63 | 62.6 Ų | 62.6 | 44% | 0.441 | 34% | 0.335 | S | S | . | . | trans | -56.6 | 144.7 | -178.7 | 67.7 | 0 | 0 | 0 | 0 | 112.5 | D116 N149 | S114-D116 WeakPolarHBondContact CB-OD1 3.22Å; S114-D116 PolarHBondContact OG-OD1 2.75Å; S114-N149 WeakPolarHBondContact O-CB 3.4Å; S114-N149 PolarHBondContact O-ND2 3.46Å; S114-N149 PolarHBondContact OG-ND2 3.05Å | ||
| 115 | I | 93.4 | Very high | 91.5 | Very high | 5 Ų | 5 | 58.5 Ų | 58.5 | 3% | 0.026 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 103.9 | 167.2 | -58.5 | 170.5 | 0 | 0 | 0 | 105.4 | V117 I146 I154 T228 Y230 | I115-V117 PolarHBondContact O-N 3.01Å; I115-I146 HydrophobicContact CG2-CG2 3.85Å; I115-I154 HydrophobicContact CD1-CD1 3.79Å; I115-I154 HydrophobicContact CD1-CG2 4.15Å; I115-I154 HydrophobicContact CG1-CD1 4.02Å; I115-I154 HydrophobicContact CG2-CD1 3.71Å; I115-T228 HydrophobicContact CD1-CG2 4.12Å; I115-T228 WeakPolarHBondContact CD1-OG1 3.47Å; I115-T228 HydrophobicContact CG2-CG2 4.3Å; I115-Y230 HydrophobicContact CD1-CD1 4.5Å; I115-Y230 HydrophobicContact CD1-CE1 4.28Å |
| 116 | D | 93.9 | Very high | 91.5 | Very high | 65 Ų | 65 | 60.5 Ų | 60.5 | 35% | 0.348 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 115.3 | -169.9 | -56 | -24.7 | 0 | 0 | 0 | 109.2 | S114 T147 N149 | S114-D116 WeakPolarHBondContact CB-OD1 3.22Å; S114-D116 PolarHBondContact OG-OD1 2.75Å; D116-T147 PolarHBondContact N-O 3.28Å; D116-T147 PolarHBondContact O-N 2.87Å; D116-N149 VanDerWaalsContact CG-ND2 3.35Å; D116-N149 PolarHBondContact OD2-ND2 2.83Å |
| 117 | V | 94.2 | Very high | 91.5 | Very high | 12 Ų | 12 | 59.1 Ų | 59.1 | 7% | 0.073 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 127 | 174.1 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | I115 I146 V226 V237 Q239 | I115-V117 PolarHBondContact O-N 3.01Å; V117-I146 HydrophobicContact CG2-CG1 4.48Å; V117-V226 HydrophobicContact CG1-CG2 3.88Å; V117-V226 HydrophobicContact CG2-CB 4.08Å; V117-V226 HydrophobicContact CG2-CG2 3.85Å; V117-V237 HydrophobicContact CB-CG1 4.15Å; V117-V237 HydrophobicContact CG2-CB 3.98Å; V117-V237 HydrophobicContact CG2-CG1 3.74Å; V117-Q239 PolarHBondContact O-NE2 2.99Å; V117-Q239 PolarHBondContact O-OE1 2.87Å |
| 118 | T | 93 | Very high | 91.5 | Very high | 59 Ų | 59 | 58.1 Ų | 58.1 | 36% | 0.362 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 144.3 | -179.8 | 57.5 | 0 | 0 | 0 | 0 | 111.2 | L144 N145 | T118-L144 CarbonylContact O-C 3.53Å; T118-L144 WeakPolarHBondContact O-CA 3.39Å; T118-N145 PolarHBondContact N-O 2.8Å; T118-N145 PolarHBondContact O-N 2.88Å; T118-N145 PolarHBondContact OG1-O 3.28Å |
| 119 | Y | 91.5 | Very high | 91.6 | Very high | 45 Ų | 45 | 56.6 Ų | 56.6 | 18% | 0.176 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 125.3 | 176.3 | 176.8 | -92.7 | 0 | 0 | 0 | 110.2 | G121 V122 N142 M241 Q243 | Y119-G121 VanDerWaalsContact CE1-CA 3.49Å; Y119-V122 WeakPolarHBondContact OH-CG2 3.32Å; Y119-V122 PolarHBondContact OH-N 2.92Å; Y119-N142 HydrophobicContact CE2-CB 4.07Å; Y119-M241 HydrophobicContact CD1-CG 4.2Å; Y119-M241 HydrophobicContact CE1-CG 4.46Å; Y119-M241 HydrophobicContact CG-CG 4.31Å; Y119-Q243 PolarHBondContact OH-OE1 3.31Å |
| 120 | V | 88.9 | Confident | 91.6 | Very high | 41 Ų | 41 | 53.9 Ų | 53.9 | 25% | 0.248 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | -45.4 | -178 | -176.8 | 0 | 0 | 0 | 0 | 111.4 | T143 N145 | V120-T143 HydrophobicContact CB-CG2 4.32Å; V120-T143 WeakPolarHBondContact CB-O 3.46Å; V120-T143 HydrophobicContact CG2-CG2 4.36Å; V120-T143 PolarHBondContact N-O 2.83Å; V120-N145 HydrophobicContact CG2-CB 3.64Å |
| 121 | G | 85.1 | Confident | 91.7 | Very high | 8 Ų | 8 | 56.8 Ų | 56.8 | 8% | 0.082 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 165.3 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y119 T143 | Y119-G121 VanDerWaalsContact CE1-CA 3.49Å; G121-T143 PolarHBondContact O-N 2.93Å |
| 122 | V | 86.6 | Confident | 91.7 | Very high | 21 Ų | 21 | 58.9 Ų | 58.9 | 13% | 0.127 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.5 | 130.2 | 165.5 | -171.2 | 0 | 0 | 0 | 0 | 108.2 | Y119 N142 S253 | Y119-V122 WeakPolarHBondContact OH-CG2 3.32Å; Y119-V122 PolarHBondContact OH-N 2.92Å; V122-N142 WeakPolarHBondContact CA-OD1 3.43Å; V122-S253 PolarHBondContact O-OG 3.04Å; V122-S253 VanDerWaalsContact O-OG 3.09Å |
| 123 | K | 89.4 | Confident | 91.7 | Very high | 99 Ų | 99 | 62 Ų | 62 | 43% | 0.43 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -39.7 | 175.9 | -176.7 | 168.3 | -173.7 | 161 | 0 | 111.4 | T141 D190 S253 | K123-T141 HydrophobicContact CB-CG2 4.31Å; K123-T141 WeakPolarHBondContact CB-O 3.33Å; K123-T141 HydrophobicContact CD-CG2 4.38Å; K123-T141 PolarHBondContact N-O 2.94Å; K123-D190 WeakPolarHBondContact CD-OD1 3.27Å; K123-D190 VanDerWaalsContact NZ-CG 3.32Å; K123-D190 IonicContact NZ-OD1 2.62Å; K123-D190 PolarHBondContact NZ-OD1 2.9Å; K123-D190 IonicContact NZ-OD2 3.35Å; K123-D190 PolarHBondContact NZ-OD2 2.84Å; K123-S253 WeakPolarHBondContact CA-O 3.21Å; K123-S253 PolarHBondContact O-N 2.81Å; K123-S253 VanDerWaalsContact O-N 3.11Å |
| 124 | S | 92.3 | Very high | 91.8 | Very high | 11 Ų | 11 | 63.1 Ų | 63.1 | 8% | 0.077 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -161.3 | 154 | 169.7 | 56.8 | 0 | 0 | 0 | 0 | 112.3 | Y126 T141 T251 | S124-Y126 WeakPolarHBondContact OG-CE2 3.47Å; S124-T141 PolarHBondContact N-O 2.65Å; S124-T141 VanDerWaalsContact N-O 3.16Å; S124-T141 PolarHBondContact O-N 3.07Å; S124-T251 CarbonylContact C-O 3.5Å; S124-T251 VanDerWaalsContact CA-O 3.22Å; S124-T251 WeakPolarHBondContact CA-O 3.44Å; S124-T251 WeakPolarHBondContact CB-O 3.39Å |
| 125 | A | 92.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 119.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | T139 I140 V245 T251 | A125-T139 WeakPolarHBondContact CA-O 3.38Å; A125-I140 HydrophobicContact CB-CG1 4.41Å; A125-V245 HydrophobicContact CB-CG1 3.67Å; A125-T251 PolarHBondContact N-O 3.46Å; A125-T251 PolarHBondContact O-N 3.24Å |
| 126 | Y | 94.6 | Very high | 92.1 | Very high | 116 Ų | 116 | 60.9 Ų | 60.9 | 46% | 0.455 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 137.9 | 174.5 | -66.3 | -77 | 0 | 0 | 0 | 110.5 | S124 L138 T139 N250 | S124-Y126 WeakPolarHBondContact OG-CE2 3.47Å; Y126-L138 CarbonylContact O-C 3.54Å; Y126-L138 WeakPolarHBondContact O-CA 3.39Å; Y126-T139 PolarHBondContact N-O 3Å; Y126-T139 PolarHBondContact O-N 3.44Å; Y126-N250 VanDerWaalsContact CA-OD1 3.32Å; Y126-N250 WeakPolarHBondContact CA-OD1 3.26Å; Y126-N250 HydrophobicContact CD1-CB 4.2Å |
| 127 | V | 94.5 | Very high | 92.2 | Very high | 19 Ų | 19 | 61.6 Ų | 61.6 | 12% | 0.115 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 136.4 | -173.7 | -175.6 | 0 | 0 | 0 | 0 | 109.7 | Y129 V136 Y137 L138 C247 G249 N250 | V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE1 3.89Å; V127-Y129 HydrophobicContact CG1-CE2 3.79Å; V127-Y129 VanDerWaalsContact CG1-CZ 3.48Å; V127-V136 HydrophobicContact CG1-CG1 4.42Å; V127-Y137 WeakPolarHBondContact CA-O 3.35Å; V127-L138 HydrophobicContact CB-CD2 4.22Å; V127-L138 HydrophobicContact CG1-CD2 3.96Å; V127-L138 HydrophobicContact CG2-CD2 3.78Å; V127-C247 WeakPolarHBondContact CG1-O 3.3Å; V127-G249 WeakPolarHBondContact CG2-O 3.37Å; V127-N250 PolarHBondContact N-OD1 3.3Å |
| 128 | S | 94.4 | Very high | 92.2 | Very high | 68 Ų | 68 | 61 Ų | 61 | 48% | 0.476 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 157.2 | 168.3 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | Y137 | S128-Y137 PolarHBondContact N-O 2.89Å; S128-Y137 PolarHBondContact O-N 3.19Å |
| 129 | Y | 94.1 | Very high | 92.3 | Very high | 74 Ų | 74 | 60.6 Ų | 60.6 | 29% | 0.29 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 139.6 | -170.3 | -58.1 | -74.5 | 0 | 0 | 0 | 111.5 | V127 V136 F205 C208 T209 C247 G248 | V127-Y129 HydrophobicContact CG1-CD2 4.48Å; V127-Y129 HydrophobicContact CG1-CE1 3.89Å; V127-Y129 HydrophobicContact CG1-CE2 3.79Å; V127-Y129 VanDerWaalsContact CG1-CZ 3.48Å; Y129-V136 HydrophobicContact CD1-CG1 4.13Å; Y129-V136 HydrophobicContact CD1-CG2 4.15Å; Y129-V136 HydrophobicContact CE1-CG1 3.96Å; Y129-V136 HydrophobicContact CE1-CG2 4.26Å; Y129-F205 HydrophobicContact CD1-CD2 4.46Å; Y129-F205 HydrophobicContact CD1-CE2 4.43Å; Y129-C208 HydrophobicContact CE1-CB 4Å; Y129-C208 PolarHBondContact OH-O 3.3Å; Y129-T209 HydrophobicContact CD1-CG2 3.82Å; Y129-T209 HydrophobicContact CE1-CG2 3.7Å; Y129-T209 HydrophobicContact CG-CG2 4.31Å; Y129-C247 PolarHBondContact OH-O 2.87Å; Y129-G248 VanDerWaalsContact OH-C 3.25Å; Y129-G248 WeakPolarHBondContact OH-CA 3.31Å; Y129-G248 PolarHBondContact OH-O 3.31Å |
| 130 | N | 93.9 | Very high | 92.4 | Very high | 38 Ų | 38 | 58.5 Ų | 58.5 | 20% | 0.203 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 110.6 | 161.4 | -177.2 | -17.4 | 0 | 0 | 0 | 108.9 | E132 Q133 R134 I135 Y137 F205 | N130-E132 PolarHBondContact OD1-N 2.87Å; N130-Q133 PolarHBondContact ND2-OE1 2.98Å; N130-Q133 VanDerWaalsContact ND2-OE1 3.13Å; N130-Q133 PolarHBondContact OD1-N 2.8Å; N130-R134 WeakPolarHBondContact O-CA 3.49Å; N130-R134 PolarHBondContact O-N 3Å; N130-I135 HydrophobicContact CB-CB 4.24Å; N130-I135 PolarHBondContact N-O 3Å; N130-I135 PolarHBondContact O-N 2.84Å; N130-I135 VanDerWaalsContact O-N 3.09Å; N130-Y137 HydrophobicContact CB-CE2 4.12Å; N130-F205 WeakPolarHBondContact O-CE2 3.15Å |
| 131 | Q | 91.3 | Very high | 92.6 | Very high | 159 Ų | 159 | 57.3 Ų | 57.3 | 74% | 0.743 | 27% | 0.272 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -32.2 | -178.3 | -59 | -170.2 | -23 | 0 | 0 | 113.1 | F205 | Q131-F205 HydrophobicContact CB-CZ 4.24Å; Q131-F205 HydrophobicContact CG-CE2 4.49Å; Q131-F205 HydrophobicContact CG-CZ 4.09Å |
| 132 | E | 91.4 | Very high | 93 | Very high | 185 Ų | 185 | 56.9 Ų | 56.9 | 86% | 0.864 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -39 | -178.9 | -59.3 | -178.7 | 171.1 | 0 | 0 | 111.4 | N130 | N130-E132 PolarHBondContact OD1-N 2.87Š|
| 133 | Q | 90.9 | Very high | 93.3 | Very high | 125 Ų | 125 | 56.7 Ų | 56.7 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -2.3 | -177.7 | -62.2 | -172.4 | -42.2 | 0 | 0 | 113.9 | N130 I135 | N130-Q133 PolarHBondContact ND2-OE1 2.98Å; N130-Q133 VanDerWaalsContact ND2-OE1 3.13Å; N130-Q133 PolarHBondContact OD1-N 2.8Å; Q133-I135 VanDerWaalsContact C-N 3.31Å; Q133-I135 HydrophobicContact CB-CD1 3.73Å; Q133-I135 HydrophobicContact CB-CG1 3.82Å; Q133-I135 PolarHBondContact O-N 2.89Å |
| 134 | R | 92.6 | Very high | 93.4 | Very high | 112 Ų | 112 | 52 Ų | 52 | 42% | 0.423 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.5 | 44.7 | -175.1 | -65 | 170.1 | 153.9 | -108.5 | -19.3 | 113 | N130 F205 D206 | N130-R134 WeakPolarHBondContact O-CA 3.49Å; N130-R134 PolarHBondContact O-N 3Å; R134-F205 HydrophobicContact CB-CB 4.09Å; R134-F205 HydrophobicContact CB-CD1 4.15Å; R134-F205 HydrophobicContact CB-CD2 4.43Å; R134-F205 HydrophobicContact CB-CG 3.97Å; R134-F205 HydrophobicContact CG-CD1 4.05Å; R134-F205 HydrophobicContact CG-CE1 4.38Å; R134-F205 HydrophobicContact CG-CG 4.37Å; R134-F205 WeakPolarHBondContact O-CB 3.46Å; R134-D206 IonicContact CZ-OD1 3.01Å; R134-D206 IonicContact CZ-OD2 3.57Å; R134-D206 VanDerWaalsContact NH1-CG 3.29Å; R134-D206 IonicContact NH1-OD1 3.57Å; R134-D206 PolarHBondContact NH1-OD1 3.39Å; R134-D206 IonicContact NH1-OD2 3.35Å; R134-D206 PolarHBondContact NH1-OD2 3.32Å; R134-D206 IonicContact NH2-OD1 3.18Å; R134-D206 PolarHBondContact NH2-OD1 3.14Å; R134-D206 IonicContact NH2-OD2 2.7Å |
| 135 | I | 94.7 | Very high | 93.5 | Very high | 21 Ų | 21 | 52.3 Ų | 52.3 | 11% | 0.108 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 137.6 | -179.3 | -59.7 | 177.4 | 0 | 0 | 0 | 109.9 | N130 Q133 Y137 T196 A198 | N130-I135 HydrophobicContact CB-CB 4.24Å; N130-I135 PolarHBondContact N-O 3Å; N130-I135 PolarHBondContact O-N 2.84Å; N130-I135 VanDerWaalsContact O-N 3.09Å; Q133-I135 VanDerWaalsContact C-N 3.31Å; Q133-I135 HydrophobicContact CB-CD1 3.73Å; Q133-I135 HydrophobicContact CB-CG1 3.82Å; Q133-I135 PolarHBondContact O-N 2.89Å; I135-Y137 HydrophobicContact CB-CE2 4.47Å; I135-Y137 HydrophobicContact CG2-CD1 4.07Å; I135-Y137 HydrophobicContact CG2-CD2 4.38Å; I135-Y137 HydrophobicContact CG2-CE1 3.63Å; I135-Y137 HydrophobicContact CG2-CE2 3.99Å; I135-Y137 HydrophobicContact CG2-CG 4.42Å; I135-T196 HydrophobicContact CG2-CG2 3.55Å; I135-A198 HydrophobicContact CD1-CB 4.23Å; I135-A198 HydrophobicContact CG1-CB 3.96Å; I135-A198 HydrophobicContact CG2-CB 4.34Å |
| 136 | V | 94.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108 | 126.1 | 168.6 | -170 | 0 | 0 | 0 | 0 | 108.9 | V127 Y129 L138 I197 F205 C208 | V127-V136 HydrophobicContact CG1-CG1 4.42Å; Y129-V136 HydrophobicContact CD1-CG1 4.13Å; Y129-V136 HydrophobicContact CD1-CG2 4.15Å; Y129-V136 HydrophobicContact CE1-CG1 3.96Å; Y129-V136 HydrophobicContact CE1-CG2 4.26Å; V136-L138 HydrophobicContact CG1-CD2 3.76Å; V136-L138 HydrophobicContact CG1-CG 4.13Å; V136-I197 HydrophobicContact CB-CB 4.33Å; V136-I197 PolarHBondContact N-O 2.87Å; V136-I197 VanDerWaalsContact N-O 3.07Å; V136-I197 PolarHBondContact O-N 3.43Å; V136-F205 HydrophobicContact CG2-CB 4.09Å; V136-F205 HydrophobicContact CG2-CD2 4.28Å; V136-C208 HydrophobicContact CG2-CB 4.33Å |
| 137 | Y | 95.3 | Very high | 93.7 | Very high | 80 Ų | 80 | 48.3 Ų | 48.3 | 31% | 0.314 | 24% | 0.235 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 122 | 172.7 | -56.4 | -74.8 | 0 | 0 | 0 | 109.3 | V127 S128 N130 I135 T195 T196 | V127-Y137 WeakPolarHBondContact CA-O 3.35Å; S128-Y137 PolarHBondContact N-O 2.89Å; S128-Y137 PolarHBondContact O-N 3.19Å; N130-Y137 HydrophobicContact CB-CE2 4.12Å; I135-Y137 HydrophobicContact CB-CE2 4.47Å; I135-Y137 HydrophobicContact CG2-CD1 4.07Å; I135-Y137 HydrophobicContact CG2-CD2 4.38Å; I135-Y137 HydrophobicContact CG2-CE1 3.63Å; I135-Y137 HydrophobicContact CG2-CE2 3.99Å; I135-Y137 HydrophobicContact CG2-CG 4.42Å; Y137-T195 WeakPolarHBondContact CA-O 3.48Å; Y137-T196 HydrophobicContact CD1-CG2 3.97Å; Y137-T196 HydrophobicContact CE1-CG2 3.75Å |
| 138 | L | 94.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 47.4 Ų | 47.4 | 0% | 0 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 122.2 | 175.1 | -49.2 | 172.6 | 0 | 0 | 0 | 109.2 | Y126 V127 V136 I140 T195 I197 I218 C247 | Y126-L138 CarbonylContact O-C 3.54Å; Y126-L138 WeakPolarHBondContact O-CA 3.39Å; V127-L138 HydrophobicContact CB-CD2 4.22Å; V127-L138 HydrophobicContact CG1-CD2 3.96Å; V127-L138 HydrophobicContact CG2-CD2 3.78Å; V136-L138 HydrophobicContact CG1-CD2 3.76Å; V136-L138 HydrophobicContact CG1-CG 4.13Å; L138-I140 HydrophobicContact CB-CG1 4.41Å; L138-T195 WeakPolarHBondContact CB-OG1 3.33Å; L138-T195 PolarHBondContact N-O 2.9Å; L138-T195 WeakPolarHBondContact O-CB 3.47Å; L138-T195 PolarHBondContact O-N 3.06Å; L138-T195 PolarHBondContact O-OG1 3.44Å; L138-I197 HydrophobicContact CD1-CD1 3.81Å; L138-I218 HydrophobicContact CD1-CD1 3.66Å; L138-C247 HydrophobicContact CD1-CB 4.07Å; L138-C247 HydrophobicContact CD2-CB 3.98Å |
| 139 | T | 95.5 | Very high | 93.8 | Very high | 51 Ų | 51 | 46.5 Ų | 46.5 | 31% | 0.313 | 22% | 0.219 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 99.2 | 175.3 | -61.5 | 0 | 0 | 0 | 0 | 108.5 | A125 Y126 T192 | A125-T139 WeakPolarHBondContact CA-O 3.38Å; Y126-T139 PolarHBondContact N-O 3Å; Y126-T139 PolarHBondContact O-N 3.44Å; T139-T192 HydrophobicContact CG2-CG2 3.41Å; T139-T192 VanDerWaalsContact CG2-CG2 3.41Å |
| 140 | I | 93.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 123.4 | -172.6 | -61.2 | 165.4 | 0 | 0 | 0 | 108.6 | A125 L138 V163 T192 V193 T195 V220 V245 | A125-I140 HydrophobicContact CB-CG1 4.41Å; L138-I140 HydrophobicContact CB-CG1 4.41Å; I140-V163 HydrophobicContact CD1-CG1 4.27Å; I140-T192 CarbonylContact O-C 3.52Å; I140-T192 WeakPolarHBondContact O-CA 3.42Å; I140-V193 PolarHBondContact N-O 2.98Å; I140-V193 PolarHBondContact O-N 3.35Å; I140-T195 HydrophobicContact CD1-CG2 4.4Å; I140-V220 HydrophobicContact CD1-CG2 4.29Å; I140-V245 HydrophobicContact CD1-CG1 4.4Å; I140-V245 HydrophobicContact CD1-CG2 4.06Å; I140-V245 HydrophobicContact CG1-CG1 4.34Å; I140-V245 HydrophobicContact CG1-CG2 4.44Å |
| 141 | T | 93.5 | Very high | 93.8 | Very high | 16 Ų | 16 | 45.1 Ų | 45.1 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 123.2 | 173.1 | -54.3 | 0 | 0 | 0 | 0 | 109.7 | K123 S124 D190 Y191 T192 | K123-T141 HydrophobicContact CB-CG2 4.31Å; K123-T141 WeakPolarHBondContact CB-O 3.33Å; K123-T141 HydrophobicContact CD-CG2 4.38Å; K123-T141 PolarHBondContact N-O 2.94Å; S124-T141 PolarHBondContact N-O 2.65Å; S124-T141 VanDerWaalsContact N-O 3.16Å; S124-T141 PolarHBondContact O-N 3.07Å; T141-D190 HydrophobicContact CG2-CB 4.43Å; T141-Y191 WeakPolarHBondContact CA-O 3.27Å; T141-T192 WeakPolarHBondContact CG2-OG1 3.42Å; T141-T192 WeakPolarHBondContact OG1-CG2 3.11Å; T141-T192 PolarHBondContact OG1-OG1 2.96Å |
| 142 | N | 92.5 | Very high | 93.9 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 152.6 | -176.5 | -77.4 | -19.1 | 0 | 0 | 0 | 110.2 | Y119 V122 D190 Y191 M222 Q243 | Y119-N142 HydrophobicContact CE2-CB 4.07Å; V122-N142 WeakPolarHBondContact CA-OD1 3.43Å; N142-D190 WeakPolarHBondContact O-CA 3.24Å; N142-Y191 HydrophobicContact CB-CD1 4.14Å; N142-Y191 HydrophobicContact CB-CE1 3.4Å; N142-Y191 VanDerWaalsContact CB-CE1 3.4Å; N142-Y191 HydrophobicContact CB-CE2 4.18Å; N142-Y191 VanDerWaalsContact CB-CZ 3.43Å; N142-Y191 WeakPolarHBondContact CB-OH 3.42Å; N142-Y191 PolarHBondContact N-O 3.46Å; N142-Y191 PolarHBondContact ND2-OH 3.42Å; N142-Y191 VanDerWaalsContact O-CD1 3.32Å; N142-Y191 WeakPolarHBondContact O-CD1 3.37Å; N142-Y191 PolarHBondContact O-N 2.87Å; N142-M222 WeakPolarHBondContact ND2-CE 3.47Å; N142-Q243 PolarHBondContact ND2-OE1 3.47Å; N142-Q243 PolarHBondContact OD1-OE1 3.33Å |
| 143 | T | 92.4 | Very high | 94.1 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 128.4 | 176.1 | -52.9 | 0 | 0 | 0 | 0 | 110.4 | V120 G121 Q188 D190 | V120-T143 HydrophobicContact CB-CG2 4.32Å; V120-T143 WeakPolarHBondContact CB-O 3.46Å; V120-T143 HydrophobicContact CG2-CG2 4.36Å; V120-T143 PolarHBondContact N-O 2.83Å; G121-T143 PolarHBondContact O-N 2.93Å; T143-Q188 HydrophobicContact CG2-CB 4.08Å; T143-Q188 HydrophobicContact CG2-CG 4.5Å; T143-D190 PolarHBondContact OG1-OD1 2.93Å |
| 144 | L | 92.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 25.9 Ų | 25.9 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 152.4 | 168.5 | -55.6 | 171.3 | 0 | 0 | 0 | 109.1 | T118 I159 Q188 L189 Y191 V224 V226 | T118-L144 CarbonylContact O-C 3.53Å; T118-L144 WeakPolarHBondContact O-CA 3.39Å; L144-I159 HydrophobicContact CD1-CD1 4.28Å; L144-I159 HydrophobicContact CD1-CG2 4.19Å; L144-Q188 CarbonylContact O-C 3.55Å; L144-Q188 WeakPolarHBondContact O-CA 3.33Å; L144-L189 PolarHBondContact N-O 2.98Å; L144-L189 PolarHBondContact O-N 2.85Å; L144-Y191 HydrophobicContact CD1-CD1 3.88Å; L144-Y191 HydrophobicContact CD1-CE1 3.96Å; L144-Y191 HydrophobicContact CD2-CD1 4.31Å; L144-Y191 HydrophobicContact CD2-CE1 3.58Å; L144-Y191 HydrophobicContact CG-CD1 3.73Å; L144-Y191 HydrophobicContact CG-CE1 3.52Å; L144-V224 HydrophobicContact CD1-CG1 3.84Å; L144-V224 HydrophobicContact CD2-CG1 4.43Å; L144-V226 HydrophobicContact CD1-CG2 4.21Å |
| 145 | N | 94.6 | Very high | 94.4 | Very high | 17 Ų | 17 | 22.2 Ų | 22.2 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 126.9 | 159.9 | -173.1 | 38.6 | 0 | 0 | 0 | 109 | T118 V120 E186 Q188 | T118-N145 PolarHBondContact N-O 2.8Å; T118-N145 PolarHBondContact O-N 2.88Å; T118-N145 PolarHBondContact OG1-O 3.28Å; V120-N145 HydrophobicContact CG2-CB 3.64Å; N145-E186 PolarHBondContact ND2-OE2 3.11Å; N145-Q188 HydrophobicContact CB-CG 3.99Å |
| 146 | I | 95.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 118 | -177.8 | -55.8 | 171.2 | 0 | 0 | 0 | 107.7 | I115 V117 V156 I181 E186 R187 L189 V226 | I115-I146 HydrophobicContact CG2-CG2 3.85Å; V117-I146 HydrophobicContact CG2-CG1 4.48Å; I146-V156 HydrophobicContact CD1-CG1 4.43Å; I146-V156 HydrophobicContact CD1-CG2 3.96Å; I146-I181 HydrophobicContact CB-CD1 3.77Å; I146-I181 HydrophobicContact CG2-CD1 3.59Å; I146-E186 WeakPolarHBondContact O-CA 3.47Å; I146-R187 PolarHBondContact N-O 3.48Å; I146-R187 PolarHBondContact O-N 3.3Å; I146-L189 HydrophobicContact CD1-CD1 3.79Å; I146-V226 HydrophobicContact CD1-CG1 3.92Å; I146-V226 HydrophobicContact CD1-CG2 4.28Å |
| 147 | T | 95.6 | Very high | 94.4 | Very high | 33 Ų | 33 | 22.7 Ų | 22.7 | 20% | 0.202 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 127.8 | -177.2 | -50.6 | 0 | 0 | 0 | 0 | 110.3 | D116 E186 | D116-T147 PolarHBondContact N-O 3.28Å; D116-T147 PolarHBondContact O-N 2.87Å; T147-E186 HydrophobicContact CG2-CB 4.33Å |
| 148 | N | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.3 | 95.3 | -179.2 | 180 | 29 | 0 | 0 | 0 | 112 | N150 Y152 I154 I181 M182 L184 D185 | N148-N150 PolarHBondContact O-N 3.27Å; N148-N150 VanDerWaalsContact O-N 3.15Å; N148-N150 VanDerWaalsContact OD1-CB 3.27Å; N148-N150 WeakPolarHBondContact OD1-CB 3.36Å; N148-N150 PolarHBondContact OD1-N 2.9Å; N148-N150 PolarHBondContact OD1-ND2 3.21Å; N148-Y152 PolarHBondContact ND2-O 3.27Å; N148-I154 HydrophobicContact CB-CD1 3.78Å; N148-I154 HydrophobicContact CB-CG1 4.05Å; N148-I181 HydrophobicContact CB-CB 4.41Å; N148-I181 HydrophobicContact CB-CG2 3.79Å; N148-M182 PolarHBondContact ND2-O 3.49Å; N148-L184 WeakPolarHBondContact O-CA 3.39Å; N148-L184 PolarHBondContact O-N 3.05Å; N148-D185 PolarHBondContact N-O 3.3Å |
| 149 | N | 94.6 | Very high | 94.4 | Very high | 49 Ų | 49 | 20.7 Ų | 20.7 | 26% | 0.262 | 12% | 0.119 | S | C | . | . | trans | -75.1 | 1.2 | 179.3 | -59.3 | -43.7 | 0 | 0 | 0 | 114.3 | R113 S114 D116 | R113-N149 HydrophobicContact CB-CB 4.24Å; R113-N149 WeakPolarHBondContact CD-O 3.32Å; S114-N149 WeakPolarHBondContact O-CB 3.4Å; S114-N149 PolarHBondContact O-ND2 3.46Å; S114-N149 PolarHBondContact OG-ND2 3.05Å; D116-N149 VanDerWaalsContact CG-ND2 3.35Å; D116-N149 PolarHBondContact OD2-ND2 2.83Å | ||
| 150 | N | 94.6 | Very high | 94.4 | Very high | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -81.1 | 151.5 | -179.2 | -64.7 | -80.4 | 0 | 0 | 0 | 112.5 | R113 N148 Y152 P183 L184 | R113-N150 PolarHBondContact N-OD1 2.79Å; R113-N150 PolarHBondContact O-ND2 3.35Å; R113-N150 VanDerWaalsContact O-ND2 3.07Å; R113-N150 PolarHBondContact O-OD1 2.62Å; N148-N150 PolarHBondContact O-N 3.27Å; N148-N150 VanDerWaalsContact O-N 3.15Å; N148-N150 VanDerWaalsContact OD1-CB 3.27Å; N148-N150 WeakPolarHBondContact OD1-CB 3.36Å; N148-N150 PolarHBondContact OD1-N 2.9Å; N148-N150 PolarHBondContact OD1-ND2 3.21Å; N150-Y152 HydrophobicContact CB-CD1 4.07Å; N150-Y152 HydrophobicContact CB-CD2 4.05Å; N150-Y152 HydrophobicContact CB-CE1 3.92Å; N150-Y152 HydrophobicContact CB-CE2 3.88Å; N150-Y152 HydrophobicContact CB-CG 4.15Å; N150-Y152 PolarHBondContact O-N 3.15Å; N150-Y152 PolarHBondContact OD1-OH 3.26Å; N150-P183 WeakPolarHBondContact O-CA 3.41Å; N150-L184 WeakPolarHBondContact O-CD1 3.4Å; N150-L184 PolarHBondContact O-N 2.96Å |
| 151 | Y | 94.6 | Very high | 94.5 | Very high | 81 Ų | 81 | 20 Ų | 20 | 32% | 0.318 | 12% | 0.115 | S | C | . | . | S | Bend | trans | -78.5 | 6.6 | 172.4 | -63.1 | -70.1 | 0 | 0 | 0 | 113.8 | F108 F109 R113 L184 | F108-Y151 HydrophobicContact CD1-CE2 4.18Å; F108-Y151 HydrophobicContact CE1-CD2 4.46Å; F108-Y151 AromaticContact CE1-CE2 3.55Å; F108-Y151 HydrophobicContact CE1-CE2 3.55Å; F108-Y151 AromaticContact CE1-CZ 3.84Å; F108-Y151 AromaticContact CZ-CE2 3.97Å; F108-Y151 HydrophobicContact CZ-CE2 3.97Å; F109-Y151 HydrophobicContact CD1-CD1 4.2Å; F109-Y151 AromaticContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CD2 3.72Å; F109-Y151 HydrophobicContact CD1-CE2 4.23Å; F109-Y151 AromaticContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CD1-CG 3.7Å; F109-Y151 HydrophobicContact CE1-CD1 4.35Å; F109-Y151 HydrophobicContact CE1-CD2 4.41Å; F109-Y151 HydrophobicContact CE1-CG 4.29Å; R113-Y151 PolarHBondContact NH1-OH 3.07Å; R113-Y151 VanDerWaalsContact NH2-CE2 3.28Å; R113-Y151 PolarHBondContact NH2-OH 3.32Å; Y151-L184 HydrophobicContact CD1-CD1 3.48Å; Y151-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y151-L184 HydrophobicContact CE1-CD1 3.84Å; Y151-L184 HydrophobicContact CE1-CD2 4.34Å; Y151-L184 HydrophobicContact CG-CD1 4.31Å |
| 152 | Y | 93.8 | Very high | 94.6 | Very high | 20 Ų | 20 | 20.6 Ų | 20.6 | 8% | 0.078 | 12% | 0.116 | C | C | . | . | S | Bend | trans | -129 | 153.4 | 177.7 | 53.6 | -100 | 0 | 0 | 0 | 110.7 | N148 N150 I154 Y230 F231 | N148-Y152 PolarHBondContact ND2-O 3.27Å; N150-Y152 HydrophobicContact CB-CD1 4.07Å; N150-Y152 HydrophobicContact CB-CD2 4.05Å; N150-Y152 HydrophobicContact CB-CE1 3.92Å; N150-Y152 HydrophobicContact CB-CE2 3.88Å; N150-Y152 HydrophobicContact CB-CG 4.15Å; N150-Y152 PolarHBondContact O-N 3.15Å; N150-Y152 PolarHBondContact OD1-OH 3.26Å; Y152-I154 HydrophobicContact CD2-CG2 4.17Å; Y152-I154 HydrophobicContact CE2-CG2 4Å; Y152-Y230 HydrophobicContact CE2-CD1 4.26Å; Y152-Y230 AromaticContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CE2 4.44Å; Y152-Y230 AromaticContact CE2-CG 3.62Å; Y152-Y230 HydrophobicContact CE2-CG 3.62Å; Y152-Y230 AromaticContact CZ-CD2 3.93Å; Y152-Y230 WeakPolarHBondContact OH-CE2 3.37Å; Y152-F231 AromaticContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CZ 4.14Å; Y152-F231 AromaticContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CZ 4.33Å; Y152-F231 AromaticContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE2-CD2 4.45Å; Y152-F231 HydrophobicContact CE2-CE2 4.06Å; Y152-F231 AromaticContact CG-CE2 3.58Å; Y152-F231 HydrophobicContact CG-CE2 3.58Å; Y152-F231 AromaticContact CG-CZ 3.87Å; Y152-F231 HydrophobicContact CG-CZ 3.87Å |
| 153 | A | 94.8 | Very high | 94.8 | Very high | 46 Ų | 46 | 20.6 Ų | 20.6 | 38% | 0.38 | 12% | 0.116 | S | C | . | . | trans | -72.3 | 141.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | V180 I181 | A153-V180 HydrophobicContact CB-CG1 4.15Å; A153-I181 WeakPolarHBondContact CA-O 3.37Å | ||
| 154 | I | 95.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 151.2 | 177.9 | 61.6 | 170 | 0 | 0 | 0 | 110.4 | I115 N148 Y152 V180 I181 T228 Y230 | I115-I154 HydrophobicContact CD1-CD1 3.79Å; I115-I154 HydrophobicContact CD1-CG2 4.15Å; I115-I154 HydrophobicContact CG1-CD1 4.02Å; I115-I154 HydrophobicContact CG2-CD1 3.71Å; N148-I154 HydrophobicContact CB-CD1 3.78Å; N148-I154 HydrophobicContact CB-CG1 4.05Å; Y152-I154 HydrophobicContact CD2-CG2 4.17Å; Y152-I154 HydrophobicContact CE2-CG2 4Å; I154-V180 WeakPolarHBondContact O-CA 3.36Å; I154-I181 HydrophobicContact CD1-CB 4.44Å; I154-I181 HydrophobicContact CD1-CD1 4.43Å; I154-I181 HydrophobicContact CG1-CB 3.94Å; I154-I181 PolarHBondContact N-O 3.49Å; I154-I181 PolarHBondContact O-N 2.97Å; I154-T228 HydrophobicContact CD1-CG2 4.17Å; I154-Y230 HydrophobicContact CG2-CD1 4.2Å |
| 155 | S | 94.8 | Very high | 94.9 | Very high | 35 Ų | 35 | 22.6 Ų | 22.6 | 25% | 0.245 | 12% | 0.124 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 112.5 | 173.4 | -63.3 | 0 | 0 | 0 | 0 | 110.2 | T157 T228 S229 | S155-T157 PolarHBondContact O-N 2.82Å; S155-T228 CarbonylContact O-C 3.47Å; S155-T228 WeakPolarHBondContact O-CA 3.22Å; S155-S229 PolarHBondContact N-O 3Å; S155-S229 PolarHBondContact O-N 2.85Å |
| 156 | V | 95.3 | Very high | 94.7 | Very high | 1 Ų | 1 | 26.2 Ų | 26.2 | 1% | 0.006 | 15% | 0.15 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.7 | 111.5 | 165.6 | -179.9 | 0 | 0 | 0 | 0 | 106.6 | I146 I159 T178 T179 I181 L189 V226 T228 | I146-V156 HydrophobicContact CD1-CG1 4.43Å; I146-V156 HydrophobicContact CD1-CG2 3.96Å; V156-I159 HydrophobicContact CG1-CD1 4.4Å; V156-I159 HydrophobicContact CG1-CG1 4.06Å; V156-T178 VanDerWaalsContact O-CA 3.27Å; V156-T178 WeakPolarHBondContact O-CA 3.16Å; V156-T179 PolarHBondContact N-O 3.41Å; V156-T179 PolarHBondContact O-N 3.32Å; V156-I181 HydrophobicContact CG2-CD1 3.79Å; V156-I181 HydrophobicContact CG2-CG1 4.33Å; V156-L189 HydrophobicContact CG1-CD1 4.2Å; V156-V226 HydrophobicContact CG1-CG1 3.89Å; V156-V226 HydrophobicContact CG2-CG1 4.49Å; V156-T228 HydrophobicContact CG2-CG2 4.11Å |
| 157 | T | 93.3 | Very high | 94.4 | Very high | 30 Ų | 30 | 35.1 Ų | 35.1 | 18% | 0.184 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.7 | -39.4 | -174.5 | 62.8 | 0 | 0 | 0 | 0 | 112.4 | S155 T227 S229 | S155-T157 PolarHBondContact O-N 2.82Å; T157-T227 PolarHBondContact N-O 2.84Å; T157-T227 PolarHBondContact OG1-O 2.98Å; T157-S229 WeakPolarHBondContact CG2-OG 3.22Å |
| 158 | N | 94.9 | Very high | 94.3 | Very high | 35 Ų | 35 | 36.5 Ų | 36.5 | 19% | 0.187 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.8 | 145.7 | -172.9 | -56.6 | -94.3 | 0 | 0 | 0 | 109.4 | K174 F175 N176 T227 | N158-K174 VanDerWaalsContact OD1-CE 3.28Å; N158-K174 WeakPolarHBondContact OD1-CE 3.43Å; N158-K174 PolarHBondContact OD1-NZ 3.01Å; N158-F175 CarbonylContact C-O 3.53Å; N158-F175 WeakPolarHBondContact CA-O 3.44Å; N158-N176 PolarHBondContact OD1-OD1 3.14Å; N158-T227 PolarHBondContact N-O 2.73Å; N158-T227 PolarHBondContact O-N 3.09Å |
| 159 | I | 94.8 | Very high | 94.3 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 2% | 0.015 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 115.4 | 166.5 | -56.3 | 173.9 | 0 | 0 | 0 | 107.1 | L144 V156 F175 L189 V224 | L144-I159 HydrophobicContact CD1-CD1 4.28Å; L144-I159 HydrophobicContact CD1-CG2 4.19Å; V156-I159 HydrophobicContact CG1-CD1 4.4Å; V156-I159 HydrophobicContact CG1-CG1 4.06Å; I159-F175 HydrophobicContact CB-CB 4.37Å; I159-F175 HydrophobicContact CD1-CD1 4.37Å; I159-F175 PolarHBondContact N-O 3.04Å; I159-F175 PolarHBondContact O-N 3.44Å; I159-L189 HydrophobicContact CD1-CB 4.3Å; I159-L189 HydrophobicContact CD1-CD1 3.89Å; I159-V224 HydrophobicContact CG2-CG1 3.79Å |
| 160 | T | 95.5 | Very high | 94.3 | Very high | 36 Ų | 36 | 38 Ų | 38 | 22% | 0.221 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.4 | 129.7 | 170.6 | -52.3 | 0 | 0 | 0 | 0 | 107.7 | V224 T225 | T160-V224 CarbonylContact O-C 3.59Å; T160-V224 WeakPolarHBondContact O-CA 3.25Å; T160-T225 PolarHBondContact N-O 2.99Å; T160-T225 PolarHBondContact O-N 3.32Å |
| 161 | A | 95.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 38.4 Ų | 38.4 | 1% | 0.008 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 141.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | K172 T173 Y191 V193 Q223 V224 | A161-K172 CarbonylContact O-C 3.58Å; A161-K172 WeakPolarHBondContact O-CA 3.39Å; A161-T173 HydrophobicContact CB-CG2 3.89Å; A161-T173 PolarHBondContact N-O 2.83Å; A161-T173 PolarHBondContact O-N 2.83Å; A161-Y191 HydrophobicContact CB-CD2 3.46Å; A161-Y191 VanDerWaalsContact CB-CD2 3.46Å; A161-Y191 HydrophobicContact CB-CE2 3.53Å; A161-V193 HydrophobicContact CB-CG2 3.82Å; A161-Q223 WeakPolarHBondContact CA-O 3.32Å; A161-V224 HydrophobicContact CB-CG2 4.3Å |
| 162 | Q | 96 | Very high | 94.4 | Very high | 28 Ų | 28 | 41.4 Ų | 41.4 | 13% | 0.131 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 143.2 | -178.8 | -172.3 | -177.3 | 71.2 | 0 | 0 | 109.2 | Q164 V169 G171 Q223 | Q162-Q164 HydrophobicContact CG-CG 4.38Å; Q162-V169 HydrophobicContact CG-CG1 3.68Å; Q162-V169 HydrophobicContact CG-CG2 4.35Å; Q162-V169 VanDerWaalsContact NE2-CG2 3.33Å; Q162-G171 WeakPolarHBondContact CA-O 3.16Å; Q162-G171 WeakPolarHBondContact CG-O 3.09Å; Q162-Q223 HydrophobicContact CB-CB 4.45Å; Q162-Q223 PolarHBondContact N-O 2.83Å; Q162-Q223 PolarHBondContact O-N 2.88Å |
| 163 | V | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 42.1 Ų | 42.1 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 129.3 | 170.5 | -166.9 | 0 | 0 | 0 | 0 | 108.4 | I140 I170 G171 V193 T195 V220 M222 | I140-V163 HydrophobicContact CD1-CG1 4.27Å; V163-I170 HydrophobicContact CB-CD1 4.49Å; V163-I170 HydrophobicContact CB-CG1 4.03Å; V163-I170 HydrophobicContact CG1-CD1 3.91Å; V163-I170 HydrophobicContact CG1-CG1 3.91Å; V163-I170 WeakPolarHBondContact O-CG1 3.39Å; V163-I170 PolarHBondContact O-N 2.81Å; V163-G171 PolarHBondContact N-O 2.89Å; V163-G171 PolarHBondContact O-N 2.9Å; V163-V193 HydrophobicContact CG2-CB 3.81Å; V163-V193 HydrophobicContact CG2-CG1 3.79Å; V163-V193 HydrophobicContact CG2-CG2 4.11Å; V163-T195 HydrophobicContact CB-CG2 3.64Å; V163-T195 HydrophobicContact CG1-CG2 4.14Å; V163-T195 HydrophobicContact CG2-CG2 3.45Å; V163-T195 VanDerWaalsContact CG2-CG2 3.45Å; V163-V220 HydrophobicContact CG1-CB 3.68Å; V163-V220 HydrophobicContact CG1-CG1 4.08Å; V163-V220 HydrophobicContact CG1-CG2 3.96Å; V163-M222 HydrophobicContact CB-SD 4.3Å; V163-M222 HydrophobicContact CG1-SD 3.98Å; V163-M222 HydrophobicContact CG2-CE 3.63Å; V163-M222 HydrophobicContact CG2-SD 3.66Å |
| 164 | Q | 95.3 | Very high | 94.5 | Very high | 31 Ų | 31 | 45.2 Ų | 45.2 | 15% | 0.145 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 138 | 173.8 | -51.5 | -179.7 | 13 | 0 | 0 | 110.2 | Q162 T168 V169 V220 M221 | Q162-Q164 HydrophobicContact CG-CG 4.38Å; Q164-T168 CarbonylContact C-O 3.59Å; Q164-T168 WeakPolarHBondContact CA-O 3.4Å; Q164-V169 HydrophobicContact CG-CG2 4.25Å; Q164-V220 WeakPolarHBondContact O-CA 3.36Å; Q164-M221 HydrophobicContact CB-CB 4.31Å; Q164-M221 PolarHBondContact N-O 3.39Å; Q164-M221 PolarHBondContact O-N 2.89Å |
| 165 | F | 93.9 | Very high | 94.3 | Very high | 27 Ų | 27 | 48.9 Ų | 48.9 | 12% | 0.118 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 127.1 | 167.4 | 179.8 | -94.9 | 0 | 0 | 0 | 108.5 | K167 T168 I170 M201 M204 I218 V219 V220 | F165-K167 PolarHBondContact O-N 3.44Å; F165-K167 VanDerWaalsContact O-N 3.11Å; F165-T168 PolarHBondContact N-O 3.21Å; F165-T168 PolarHBondContact O-N 2.78Å; F165-I170 HydrophobicContact CB-CD1 3.99Å; F165-I170 HydrophobicContact CB-CG1 4.3Å; F165-I170 HydrophobicContact CB-CG2 3.89Å; F165-M201 HydrophobicContact CB-SD 4.44Å; F165-M201 HydrophobicContact CD1-CG 4.39Å; F165-M201 HydrophobicContact CD1-SD 3.8Å; F165-M204 HydrophobicContact CE1-CE 3.67Å; F165-M204 HydrophobicContact CE2-CE 4.12Å; F165-M204 HydrophobicContact CZ-CE 3.34Å; F165-I218 HydrophobicContact CD2-CD1 4.38Å; F165-I218 HydrophobicContact CE2-CB 4.1Å; F165-V219 VanDerWaalsContact CD2-O 3.28Å; F165-V219 WeakPolarHBondContact CD2-O 3.24Å; F165-V220 HydrophobicContact CD2-CG1 4.29Å |
| 166 | S | 89.6 | Confident | 94 | Very high | 93 Ų | 93 | 52.2 Ų | 52.2 | 65% | 0.65 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 37.1 | -177 | -168.4 | 0 | 0 | 0 | 0 | 114.7 | T168 | S166-T168 VanDerWaalsContact C-N 3.26Å; S166-T168 PolarHBondContact O-N 2.84Å |
| 167 | K | 88.6 | Confident | 93.5 | Very high | 188 Ų | 188 | 55.9 Ų | 55.9 | 82% | 0.817 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.3 | -4.2 | -173.3 | -48.8 | 176.5 | -177.8 | 177.2 | 0 | 116.4 | F165 | F165-K167 PolarHBondContact O-N 3.44Å; F165-K167 VanDerWaalsContact O-N 3.11Å |
| 168 | T | 93.5 | Very high | 93.1 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 38% | 0.38 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 134.9 | 173.2 | -56.2 | 0 | 0 | 0 | 0 | 110.2 | Q164 F165 S166 I170 M201 | Q164-T168 CarbonylContact C-O 3.59Å; Q164-T168 WeakPolarHBondContact CA-O 3.4Å; F165-T168 PolarHBondContact N-O 3.21Å; F165-T168 PolarHBondContact O-N 2.78Å; S166-T168 VanDerWaalsContact C-N 3.26Å; S166-T168 PolarHBondContact O-N 2.84Å; T168-I170 PolarHBondContact O-N 2.67Å; T168-M201 HydrophobicContact CG2-CE 3.57Å; T168-M201 HydrophobicContact CG2-SD 4.44Å |
| 169 | V | 95.3 | Very high | 93 | Very high | 70 Ų | 70 | 58.5 Ų | 58.5 | 42% | 0.424 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 110.5 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 109.9 | Q162 Q164 | Q162-V169 HydrophobicContact CG-CG1 3.68Å; Q162-V169 HydrophobicContact CG-CG2 4.35Å; Q162-V169 VanDerWaalsContact NE2-CG2 3.33Å; Q164-V169 HydrophobicContact CG-CG2 4.25Å |
| 170 | I | 94.9 | Very high | 92.9 | Very high | 9 Ų | 9 | 61.4 Ų | 61.4 | 5% | 0.046 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.1 | -12.2 | 177.7 | 59.3 | 162.3 | 0 | 0 | 0 | 113.3 | V163 F165 T168 T195 T196 I197 M201 V220 | V163-I170 HydrophobicContact CB-CD1 4.49Å; V163-I170 HydrophobicContact CB-CG1 4.03Å; V163-I170 HydrophobicContact CG1-CD1 3.91Å; V163-I170 HydrophobicContact CG1-CG1 3.91Å; V163-I170 WeakPolarHBondContact O-CG1 3.39Å; V163-I170 PolarHBondContact O-N 2.81Å; F165-I170 HydrophobicContact CB-CD1 3.99Å; F165-I170 HydrophobicContact CB-CG1 4.3Å; F165-I170 HydrophobicContact CB-CG2 3.89Å; T168-I170 PolarHBondContact O-N 2.67Å; I170-T195 HydrophobicContact CD1-CG2 4.43Å; I170-T195 HydrophobicContact CG1-CG2 4.39Å; I170-T195 CarbonylContact O-C 3.57Å; I170-T195 VanDerWaalsContact O-CA 3.24Å; I170-T195 WeakPolarHBondContact O-CA 3.22Å; I170-T195 WeakPolarHBondContact O-CB 3.25Å; I170-T196 PolarHBondContact O-N 2.96Å; I170-I197 HydrophobicContact CD1-CD1 4.23Å; I170-I197 HydrophobicContact CD1-CG1 4.01Å; I170-I197 HydrophobicContact CG2-CG1 4.35Å; I170-M201 HydrophobicContact CG2-CE 3.85Å; I170-M201 HydrophobicContact CG2-SD 3.87Å; I170-V220 HydrophobicContact CD1-CG1 4.17Å |
| 171 | G | 95.3 | Very high | 92.9 | Very high | 11 Ų | 11 | 59.7 Ų | 59.7 | 11% | 0.113 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -166.8 | 153.5 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q162 V163 | Q162-G171 WeakPolarHBondContact CA-O 3.16Å; Q162-G171 WeakPolarHBondContact CG-O 3.09Å; V163-G171 PolarHBondContact N-O 2.89Å; V163-G171 PolarHBondContact O-N 2.9Å |
| 172 | K | 95.9 | Very high | 92.9 | Very high | 144 Ų | 144 | 64.8 Ų | 64.8 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -147.8 | 132.5 | 176 | -172.5 | 174.9 | -177.3 | 172.9 | 0 | 109.7 | A161 | A161-K172 CarbonylContact O-C 3.58Å; A161-K172 WeakPolarHBondContact O-CA 3.39Å |
| 173 | T | 95.8 | Very high | 92.9 | Very high | 35 Ų | 35 | 66 Ų | 66 | 22% | 0.215 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 160.1 | 176.7 | -168 | 0 | 0 | 0 | 0 | 110.5 | A161 V193 | A161-T173 HydrophobicContact CB-CG2 3.89Å; A161-T173 PolarHBondContact N-O 2.83Å; A161-T173 PolarHBondContact O-N 2.83Å; T173-V193 HydrophobicContact CG2-CB 4.13Å; T173-V193 HydrophobicContact CG2-CG1 3.87Å; T173-V193 HydrophobicContact CG2-CG2 3.8Å |
| 174 | K | 94.6 | Very high | 92.8 | Very high | 110 Ų | 110 | 71.1 Ų | 71.1 | 48% | 0.478 | 38% | 0.376 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 112.8 | 169.9 | -165.8 | -168.2 | 176.2 | -127.7 | 0 | 109.3 | N158 N176 | N158-K174 VanDerWaalsContact OD1-CE 3.28Å; N158-K174 WeakPolarHBondContact OD1-CE 3.43Å; N158-K174 PolarHBondContact OD1-NZ 3.01Å; K174-N176 WeakPolarHBondContact CD-OD1 3.46Å; K174-N176 VanDerWaalsContact CE-OD1 3.25Å; K174-N176 WeakPolarHBondContact CE-OD1 3.49Å; K174-N176 WeakPolarHBondContact CG-OD1 3.38Å; K174-N176 PolarHBondContact NZ-OD1 2.96Å |
| 175 | F | 91.5 | Very high | 92.8 | Very high | 78 Ų | 78 | 72.6 Ų | 72.6 | 34% | 0.342 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 106.4 | -179 | -173.8 | -114.6 | 0 | 0 | 0 | 109.4 | N158 I159 N177 | N158-F175 CarbonylContact C-O 3.53Å; N158-F175 WeakPolarHBondContact CA-O 3.44Å; I159-F175 HydrophobicContact CB-CB 4.37Å; I159-F175 HydrophobicContact CD1-CD1 4.37Å; I159-F175 PolarHBondContact N-O 3.04Å; I159-F175 PolarHBondContact O-N 3.44Å; F175-N177 HydrophobicContact CD1-CB 3.92Å; F175-N177 HydrophobicContact CE1-CB 3.42Å; F175-N177 VanDerWaalsContact CE1-CB 3.42Å; F175-N177 HydrophobicContact CE2-CB 4.34Å; F175-N177 HydrophobicContact CZ-CB 3.67Å; F175-N177 PolarHBondContact O-N 2.91Å |
| 176 | N | 88.4 | Confident | 92.9 | Very high | 105 Ų | 105 | 76.8 Ų | 76.8 | 56% | 0.561 | 41% | 0.405 | S | S | * | . | trans | -97.2 | 74.7 | -178.5 | -53.7 | -22.9 | 0 | 0 | 0 | 109.6 | N158 K174 | N158-N176 PolarHBondContact OD1-OD1 3.14Å; K174-N176 WeakPolarHBondContact CD-OD1 3.46Å; K174-N176 VanDerWaalsContact CE-OD1 3.25Å; K174-N176 WeakPolarHBondContact CE-OD1 3.49Å; K174-N176 WeakPolarHBondContact CG-OD1 3.38Å; K174-N176 PolarHBondContact NZ-OD1 2.96Å | ||
| 177 | N | 83.8 | Confident | 93.1 | Very high | 78 Ų | 78 | 77.9 Ų | 77.9 | 42% | 0.417 | 40% | 0.395 | S | S | . | . | trans | -124.4 | 106.5 | 178 | -172.1 | 4.9 | 0 | 0 | 0 | 110.5 | F175 T179 | F175-N177 HydrophobicContact CD1-CB 3.92Å; F175-N177 HydrophobicContact CE1-CB 3.42Å; F175-N177 VanDerWaalsContact CE1-CB 3.42Å; F175-N177 HydrophobicContact CE2-CB 4.34Å; F175-N177 HydrophobicContact CZ-CB 3.67Å; F175-N177 PolarHBondContact O-N 2.91Å; N177-T179 PolarHBondContact O-N 3.17Å; N177-T179 VanDerWaalsContact O-N 3.14Å | ||
| 178 | T | 85.1 | Confident | 93.3 | Very high | 99 Ų | 99 | 74.6 Ų | 74.6 | 61% | 0.607 | 38% | 0.382 | S | S | * | . | trans | -70.6 | 107.9 | -177.3 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | V156 | V156-T178 VanDerWaalsContact O-CA 3.27Å; V156-T178 WeakPolarHBondContact O-CA 3.16Å | ||
| 179 | T | 92.6 | Very high | 93.2 | Very high | 20 Ų | 20 | 72.5 Ų | 72.5 | 12% | 0.123 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 132.3 | 177.2 | 51.7 | 0 | 0 | 0 | 0 | 110.7 | V156 N177 L189 | V156-T179 PolarHBondContact N-O 3.41Å; V156-T179 PolarHBondContact O-N 3.32Å; N177-T179 PolarHBondContact O-N 3.17Å; N177-T179 VanDerWaalsContact O-N 3.14Å; T179-L189 HydrophobicContact CG2-CD2 4.07Å; T179-L189 WeakPolarHBondContact OG1-CD1 3.35Å |
| 180 | V | 94.2 | Very high | 93.1 | Very high | 65 Ų | 65 | 72.2 Ų | 72.2 | 39% | 0.394 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 135.7 | 178.3 | -177 | 0 | 0 | 0 | 0 | 109.2 | A153 I154 R187 | A153-V180 HydrophobicContact CB-CG1 4.15Å; I154-V180 WeakPolarHBondContact O-CA 3.36Å; V180-R187 PolarHBondContact O-NH1 3.44Å |
| 181 | I | 95.5 | Very high | 93 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 36% | 0.363 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 132.5 | 172.3 | -51.4 | 179.7 | 0 | 0 | 0 | 107.1 | I146 N148 A153 I154 V156 D185 R187 | I146-I181 HydrophobicContact CB-CD1 3.77Å; I146-I181 HydrophobicContact CG2-CD1 3.59Å; N148-I181 HydrophobicContact CB-CB 4.41Å; N148-I181 HydrophobicContact CB-CG2 3.79Å; A153-I181 WeakPolarHBondContact CA-O 3.37Å; I154-I181 HydrophobicContact CD1-CB 4.44Å; I154-I181 HydrophobicContact CD1-CD1 4.43Å; I154-I181 HydrophobicContact CG1-CB 3.94Å; I154-I181 PolarHBondContact N-O 3.49Å; I154-I181 PolarHBondContact O-N 2.97Å; V156-I181 HydrophobicContact CG2-CD1 3.79Å; V156-I181 HydrophobicContact CG2-CG1 4.33Å; I181-D185 HydrophobicContact CG2-CB 4.09Å; I181-D185 WeakPolarHBondContact CG2-O 3.37Å; I181-R187 HydrophobicContact CD1-CB 3.86Å; I181-R187 HydrophobicContact CG1-CB 3.82Å; I181-R187 HydrophobicContact CG2-CB 4.37Å |
| 182 | M | 96 | Very high | 93 | Very high | 107 Ų | 107 | 74.2 Ų | 74.2 | 53% | 0.527 | 38% | 0.375 | S | S | . | . | trans | -75.5 | 170.7 | -174.8 | -63.7 | -60.9 | -68.9 | 0 | 0 | 111.4 | N148 L184 D185 | N148-M182 PolarHBondContact ND2-O 3.49Å; M182-L184 PolarHBondContact O-N 3.32Å; M182-D185 HydrophobicContact CB-CB 3.7Å; M182-D185 WeakPolarHBondContact CB-OD2 3.47Å; M182-D185 PolarHBondContact N-OD2 2.89Å; M182-D185 WeakPolarHBondContact O-CB 3.18Å; M182-D185 PolarHBondContact O-N 3.27Å | ||
| 183 | P | 95 | Very high | 93 | Very high | 53 Ų | 53 | 67.4 Ų | 67.4 | 34% | 0.344 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 132.2 | 172.2 | -21.9 | 33.7 | 0 | 0 | 0 | 111.5 | N150 D185 | N150-P183 WeakPolarHBondContact O-CA 3.41Å; P183-D185 PolarHBondContact O-N 2.96Å |
| 184 | L | 93.9 | Very high | 93 | Very high | 108 Ų | 108 | 69.2 Ų | 69.2 | 57% | 0.565 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 34.1 | 179.9 | -65.1 | 86.1 | 0 | 0 | 0 | 113.7 | N148 N150 Y151 M182 | N148-L184 WeakPolarHBondContact O-CA 3.39Å; N148-L184 PolarHBondContact O-N 3.05Å; N150-L184 WeakPolarHBondContact O-CD1 3.4Å; N150-L184 PolarHBondContact O-N 2.96Å; Y151-L184 HydrophobicContact CD1-CD1 3.48Å; Y151-L184 VanDerWaalsContact CD1-CD1 3.48Å; Y151-L184 HydrophobicContact CE1-CD1 3.84Å; Y151-L184 HydrophobicContact CE1-CD2 4.34Å; Y151-L184 HydrophobicContact CG-CD1 4.31Å; M182-L184 PolarHBondContact O-N 3.32Å |
| 185 | D | 95.8 | Very high | 93.1 | Very high | 62 Ų | 62 | 64.1 Ų | 64.1 | 33% | 0.332 | 34% | 0.336 | S | S | . | . | trans | -117.7 | 155.7 | -176.4 | -174.5 | 34.7 | 0 | 0 | 0 | 110.6 | N148 I181 M182 P183 | N148-D185 PolarHBondContact N-O 3.3Å; I181-D185 HydrophobicContact CG2-CB 4.09Å; I181-D185 WeakPolarHBondContact CG2-O 3.37Å; M182-D185 HydrophobicContact CB-CB 3.7Å; M182-D185 WeakPolarHBondContact CB-OD2 3.47Å; M182-D185 PolarHBondContact N-OD2 2.89Å; M182-D185 WeakPolarHBondContact O-CB 3.18Å; M182-D185 PolarHBondContact O-N 3.27Å; P183-D185 PolarHBondContact O-N 2.96Å | ||
| 186 | E | 94.6 | Very high | 93.2 | Very high | 115 Ų | 115 | 63.4 Ų | 63.4 | 54% | 0.537 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 146.7 | 177.2 | 66.3 | 170.6 | 179.9 | 0 | 0 | 111.3 | N145 I146 T147 | N145-E186 PolarHBondContact ND2-OE2 3.11Å; I146-E186 WeakPolarHBondContact O-CA 3.47Å; T147-E186 HydrophobicContact CG2-CB 4.33Å |
| 187 | R | 93.8 | Very high | 93.5 | Very high | 116 Ų | 116 | 58.4 Ų | 58.4 | 44% | 0.438 | 31% | 0.311 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 124.1 | -178.3 | -159.4 | 167.9 | -169.4 | 140.8 | 12.6 | 112.6 | I146 V180 I181 | I146-R187 PolarHBondContact N-O 3.48Å; I146-R187 PolarHBondContact O-N 3.3Å; V180-R187 PolarHBondContact O-NH1 3.44Å; I181-R187 HydrophobicContact CD1-CB 3.86Å; I181-R187 HydrophobicContact CG1-CB 3.82Å; I181-R187 HydrophobicContact CG2-CB 4.37Å |
| 188 | Q | 93.7 | Very high | 93.9 | Very high | 119 Ų | 119 | 55.3 Ų | 55.3 | 56% | 0.556 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 135.8 | 171.8 | -65.6 | -176.2 | 12.4 | 0 | 0 | 111.5 | T143 L144 N145 | T143-Q188 HydrophobicContact CG2-CB 4.08Å; T143-Q188 HydrophobicContact CG2-CG 4.5Å; L144-Q188 CarbonylContact O-C 3.55Å; L144-Q188 WeakPolarHBondContact O-CA 3.33Å; N145-Q188 HydrophobicContact CB-CG 3.99Å |
| 189 | L | 92.3 | Very high | 94 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 10% | 0.099 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 129.5 | 177 | -64.7 | 178.7 | 0 | 0 | 0 | 110.2 | L144 I146 V156 I159 T179 | L144-L189 PolarHBondContact N-O 2.98Å; L144-L189 PolarHBondContact O-N 2.85Å; I146-L189 HydrophobicContact CD1-CD1 3.79Å; V156-L189 HydrophobicContact CG1-CD1 4.2Å; I159-L189 HydrophobicContact CD1-CB 4.3Å; I159-L189 HydrophobicContact CD1-CD1 3.89Å; T179-L189 HydrophobicContact CG2-CD2 4.07Å; T179-L189 WeakPolarHBondContact OG1-CD1 3.35Å |
| 190 | D | 92.9 | Very high | 93.8 | Very high | 63 Ų | 63 | 64.3 Ų | 64.3 | 34% | 0.337 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 142.5 | 171.6 | -61 | -42.4 | 0 | 0 | 0 | 110.8 | K123 T141 N142 T143 | K123-D190 WeakPolarHBondContact CD-OD1 3.27Å; K123-D190 VanDerWaalsContact NZ-CG 3.32Å; K123-D190 IonicContact NZ-OD1 2.62Å; K123-D190 PolarHBondContact NZ-OD1 2.9Å; K123-D190 IonicContact NZ-OD2 3.35Å; K123-D190 PolarHBondContact NZ-OD2 2.84Å; T141-D190 HydrophobicContact CG2-CB 4.43Å; N142-D190 WeakPolarHBondContact O-CA 3.24Å; T143-D190 PolarHBondContact OG1-OD1 2.93Å |
| 191 | Y | 92.8 | Very high | 93.6 | Very high | 3 Ų | 3 | 62.3 Ų | 62.3 | 1% | 0.012 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 139.3 | 168.3 | 70.1 | -77.2 | 0 | 0 | 0 | 110.3 | T141 N142 L144 A161 V193 M222 V224 | T141-Y191 WeakPolarHBondContact CA-O 3.27Å; N142-Y191 HydrophobicContact CB-CD1 4.14Å; N142-Y191 HydrophobicContact CB-CE1 3.4Å; N142-Y191 VanDerWaalsContact CB-CE1 3.4Å; N142-Y191 HydrophobicContact CB-CE2 4.18Å; N142-Y191 VanDerWaalsContact CB-CZ 3.43Å; N142-Y191 WeakPolarHBondContact CB-OH 3.42Å; N142-Y191 PolarHBondContact N-O 3.46Å; N142-Y191 PolarHBondContact ND2-OH 3.42Å; N142-Y191 VanDerWaalsContact O-CD1 3.32Å; N142-Y191 WeakPolarHBondContact O-CD1 3.37Å; N142-Y191 PolarHBondContact O-N 2.87Å; L144-Y191 HydrophobicContact CD1-CD1 3.88Å; L144-Y191 HydrophobicContact CD1-CE1 3.96Å; L144-Y191 HydrophobicContact CD2-CD1 4.31Å; L144-Y191 HydrophobicContact CD2-CE1 3.58Å; L144-Y191 HydrophobicContact CG-CD1 3.73Å; L144-Y191 HydrophobicContact CG-CE1 3.52Å; A161-Y191 HydrophobicContact CB-CD2 3.46Å; A161-Y191 VanDerWaalsContact CB-CD2 3.46Å; A161-Y191 HydrophobicContact CB-CE2 3.53Å; Y191-V193 HydrophobicContact CD2-CG2 3.8Å; Y191-V193 HydrophobicContact CE2-CG2 3.81Å; Y191-M222 HydrophobicContact CE2-CE 3.75Å; Y191-V224 HydrophobicContact CE1-CG2 4.33Å; Y191-V224 HydrophobicContact CE2-CG2 3.94Å; Y191-V224 WeakPolarHBondContact OH-CG2 3.23Å |
| 192 | T | 94.2 | Very high | 93.2 | Very high | 60 Ų | 60 | 64.4 Ų | 64.4 | 37% | 0.368 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 123.9 | 180 | -57 | 0 | 0 | 0 | 0 | 109.9 | T139 I140 T141 | T139-T192 HydrophobicContact CG2-CG2 3.41Å; T139-T192 VanDerWaalsContact CG2-CG2 3.41Å; I140-T192 CarbonylContact O-C 3.52Å; I140-T192 WeakPolarHBondContact O-CA 3.42Å; T141-T192 WeakPolarHBondContact CG2-OG1 3.42Å; T141-T192 WeakPolarHBondContact OG1-CG2 3.11Å; T141-T192 PolarHBondContact OG1-OG1 2.96Å |
| 193 | V | 96.3 | Very high | 93 | Very high | 0 Ų | 0 | 65.5 Ų | 65.5 | 0% | 0 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 114.1 | 174.5 | -156.3 | 0 | 0 | 0 | 0 | 109.2 | I140 A161 V163 T173 Y191 T195 M222 | I140-V193 PolarHBondContact N-O 2.98Å; I140-V193 PolarHBondContact O-N 3.35Å; A161-V193 HydrophobicContact CB-CG2 3.82Å; V163-V193 HydrophobicContact CG2-CB 3.81Å; V163-V193 HydrophobicContact CG2-CG1 3.79Å; V163-V193 HydrophobicContact CG2-CG2 4.11Å; T173-V193 HydrophobicContact CG2-CB 4.13Å; T173-V193 HydrophobicContact CG2-CG1 3.87Å; T173-V193 HydrophobicContact CG2-CG2 3.8Å; Y191-V193 HydrophobicContact CD2-CG2 3.8Å; Y191-V193 HydrophobicContact CE2-CG2 3.81Å; V193-T195 HydrophobicContact CB-CG2 4.49Å; V193-T195 HydrophobicContact CG1-CG2 4.31Å; V193-M222 HydrophobicContact CG2-CE 3.95Å |
| 194 | P | 96.1 | Very high | 92.9 | Very high | 74 Ų | 74 | 63.5 Ų | 63.5 | 48% | 0.481 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 136.2 | 163.5 | 31.2 | -32.3 | 0 | 0 | 0 | 108.9 | ||
| 195 | T | 95.6 | Very high | 92.9 | Very high | 3 Ų | 3 | 59.2 Ų | 59.2 | 2% | 0.018 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 151.6 | 179.8 | 73.4 | 0 | 0 | 0 | 0 | 110.4 | Y137 L138 I140 V163 I170 V193 | Y137-T195 WeakPolarHBondContact CA-O 3.48Å; L138-T195 WeakPolarHBondContact CB-OG1 3.33Å; L138-T195 PolarHBondContact N-O 2.9Å; L138-T195 WeakPolarHBondContact O-CB 3.47Å; L138-T195 PolarHBondContact O-N 3.06Å; L138-T195 PolarHBondContact O-OG1 3.44Å; I140-T195 HydrophobicContact CD1-CG2 4.4Å; V163-T195 HydrophobicContact CB-CG2 3.64Å; V163-T195 HydrophobicContact CG1-CG2 4.14Å; V163-T195 HydrophobicContact CG2-CG2 3.45Å; V163-T195 VanDerWaalsContact CG2-CG2 3.45Å; I170-T195 HydrophobicContact CD1-CG2 4.43Å; I170-T195 HydrophobicContact CG1-CG2 4.39Å; I170-T195 CarbonylContact O-C 3.57Å; I170-T195 VanDerWaalsContact O-CA 3.24Å; I170-T195 WeakPolarHBondContact O-CA 3.22Å; I170-T195 WeakPolarHBondContact O-CB 3.25Å; V193-T195 HydrophobicContact CB-CG2 4.49Å; V193-T195 HydrophobicContact CG1-CG2 4.31Å |
| 196 | T | 95 | Very high | 92.7 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 38% | 0.38 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 120.7 | -176.5 | -56.3 | 0 | 0 | 0 | 0 | 108.6 | I135 Y137 I170 A198 | I135-T196 HydrophobicContact CG2-CG2 3.55Å; Y137-T196 HydrophobicContact CD1-CG2 3.97Å; Y137-T196 HydrophobicContact CE1-CG2 3.75Å; I170-T196 PolarHBondContact O-N 2.96Å; T196-A198 HydrophobicContact CG2-CB 4.17Å |
| 197 | I | 94 | Very high | 92.6 | Very high | 1 Ų | 1 | 58.1 Ų | 58.1 | 1% | 0.005 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 111.1 | 173.4 | -51.4 | -179.6 | 0 | 0 | 0 | 107.2 | V136 L138 I170 M201 M204 I218 | V136-I197 HydrophobicContact CB-CB 4.33Å; V136-I197 PolarHBondContact N-O 2.87Å; V136-I197 VanDerWaalsContact N-O 3.07Å; V136-I197 PolarHBondContact O-N 3.43Å; L138-I197 HydrophobicContact CD1-CD1 3.81Å; I170-I197 HydrophobicContact CD1-CD1 4.23Å; I170-I197 HydrophobicContact CD1-CG1 4.01Å; I170-I197 HydrophobicContact CG2-CG1 4.35Å; I197-M201 HydrophobicContact CG2-CB 3.48Å; I197-M201 VanDerWaalsContact CG2-CB 3.48Å; I197-M204 HydrophobicContact CD1-CG 4.25Å; I197-M204 HydrophobicContact CG2-CB 3.79Å; I197-M204 HydrophobicContact CG2-CG 4.13Å; I197-I218 HydrophobicContact CD1-CD1 3.8Å |
| 198 | A | 91.5 | Very high | 92.6 | Very high | 12 Ų | 12 | 52.7 Ų | 52.7 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | trans | -147 | -174.3 | -171.7 | 0 | 0 | 0 | 0 | 0 | 111 | I135 T196 E200 M201 | I135-A198 HydrophobicContact CD1-CB 4.23Å; I135-A198 HydrophobicContact CG1-CB 3.96Å; I135-A198 HydrophobicContact CG2-CB 4.34Å; T196-A198 HydrophobicContact CG2-CB 4.17Å; A198-E200 PolarHBondContact O-N 2.92Å; A198-M201 WeakPolarHBondContact O-CA 3.28Å; A198-M201 PolarHBondContact O-N 3.37Å | ||
| 199 | D | 88.9 | Confident | 92.5 | Very high | 142 Ų | 142 | 49.7 Ų | 49.7 | 76% | 0.759 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | 52.4 | -117.8 | 170.9 | -52.1 | -41.9 | 0 | 0 | 0 | 113.2 | M201 S202 | D199-M201 PolarHBondContact O-N 3.36Å; D199-M201 VanDerWaalsContact O-N 3.1Å; D199-S202 WeakPolarHBondContact O-CB 3.21Å; D199-S202 PolarHBondContact O-N 3.11Å; D199-S202 PolarHBondContact O-OG 3.23Å |
| 200 | E | 87.7 | Confident | 92.5 | Very high | 166 Ų | 166 | 52 Ų | 52 | 78% | 0.776 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -59 | -20.9 | 178 | -60.6 | -176.6 | 165.9 | 0 | 0 | 113.4 | A198 Y203 | A198-E200 PolarHBondContact O-N 2.92Å; E200-Y203 WeakPolarHBondContact O-CD1 3.25Å; E200-Y203 VanDerWaalsContact O-CE1 3.32Å; E200-Y203 WeakPolarHBondContact O-CE1 3.34Å |
| 201 | M | 90.3 | Very high | 92.3 | Very high | 23 Ų | 23 | 54.8 Ų | 54.8 | 11% | 0.113 | 29% | 0.294 | C | S | . | . | G | 310 helix | trans | -102.6 | 9.2 | 178.8 | -63.5 | 166.8 | -78.7 | 0 | 0 | 113.1 | F165 T168 I170 I197 A198 D199 Y203 M204 | F165-M201 HydrophobicContact CB-SD 4.44Å; F165-M201 HydrophobicContact CD1-CG 4.39Å; F165-M201 HydrophobicContact CD1-SD 3.8Å; T168-M201 HydrophobicContact CG2-CE 3.57Å; T168-M201 HydrophobicContact CG2-SD 4.44Å; I170-M201 HydrophobicContact CG2-CE 3.85Å; I170-M201 HydrophobicContact CG2-SD 3.87Å; I197-M201 HydrophobicContact CG2-CB 3.48Å; I197-M201 VanDerWaalsContact CG2-CB 3.48Å; A198-M201 WeakPolarHBondContact O-CA 3.28Å; A198-M201 PolarHBondContact O-N 3.37Å; D199-M201 PolarHBondContact O-N 3.36Å; D199-M201 VanDerWaalsContact O-N 3.1Å; M201-Y203 PolarHBondContact O-N 2.94Å; M201-Y203 VanDerWaalsContact O-N 3.11Å; M201-M204 WeakPolarHBondContact O-CB 3.39Å; M201-M204 PolarHBondContact O-N 2.92Å |
| 202 | S | 87.9 | Confident | 92.1 | Very high | 44 Ų | 44 | 60.3 Ų | 60.3 | 31% | 0.308 | 33% | 0.328 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -21.6 | 178 | 54 | 0 | 0 | 0 | 0 | 114.6 | D199 M204 F205 | D199-S202 WeakPolarHBondContact O-CB 3.21Å; D199-S202 PolarHBondContact O-N 3.11Å; D199-S202 PolarHBondContact O-OG 3.23Å; S202-M204 PolarHBondContact O-N 3.25Å; S202-F205 WeakPolarHBondContact O-CB 3.33Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-F205 VanDerWaalsContact O-N 3.11Å |
| 203 | Y | 90.4 | Very high | 91.7 | Very high | 130 Ų | 130 | 60.3 Ų | 60.3 | 51% | 0.51 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.9 | -22.8 | 170.2 | 68.3 | -95.2 | 0 | 0 | 0 | 113 | E200 M201 F205 D206 Y207 | E200-Y203 WeakPolarHBondContact O-CD1 3.25Å; E200-Y203 VanDerWaalsContact O-CE1 3.32Å; E200-Y203 WeakPolarHBondContact O-CE1 3.34Å; M201-Y203 PolarHBondContact O-N 2.94Å; M201-Y203 VanDerWaalsContact O-N 3.11Å; Y203-F205 PolarHBondContact O-N 3.49Å; Y203-D206 PolarHBondContact O-N 2.93Å; Y203-Y207 PolarHBondContact O-N 2.97Å |
| 204 | M | 92.6 | Very high | 91 | Very high | 11 Ų | 11 | 69.9 Ų | 69.9 | 5% | 0.054 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.8 | -27 | 176.9 | -163.3 | 57 | 62.3 | 0 | 0 | 112.2 | F165 I197 M201 S202 Y207 C208 I218 | F165-M204 HydrophobicContact CE1-CE 3.67Å; F165-M204 HydrophobicContact CE2-CE 4.12Å; F165-M204 HydrophobicContact CZ-CE 3.34Å; I197-M204 HydrophobicContact CD1-CG 4.25Å; I197-M204 HydrophobicContact CG2-CB 3.79Å; I197-M204 HydrophobicContact CG2-CG 4.13Å; M201-M204 WeakPolarHBondContact O-CB 3.39Å; M201-M204 PolarHBondContact O-N 2.92Å; S202-M204 PolarHBondContact O-N 3.25Å; M204-Y207 PolarHBondContact O-N 2.96Å; M204-Y207 HydrophobicContact SD-CD1 3.66Å; M204-Y207 HydrophobicContact SD-CE1 4.48Å; M204-Y207 HydrophobicContact SD-CG 4.3Å; M204-C208 WeakPolarHBondContact O-CB 3.29Å; M204-C208 PolarHBondContact O-N 3.24Å; M204-C208 PolarHBondContact O-SG 2.94Å; M204-I218 HydrophobicContact CE-CG2 4.41Å; M204-I218 HydrophobicContact SD-CG2 3.66Å |
| 205 | F | 93.8 | Very high | 90.6 | Very high | 18 Ų | 18 | 70 Ų | 70 | 8% | 0.079 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.4 | -45.7 | 174.4 | 175.6 | -84.6 | 0 | 0 | 0 | 111.8 | Y129 N130 Q131 R134 V136 S202 Y203 Y207 C208 T209 | Y129-F205 HydrophobicContact CD1-CD2 4.46Å; Y129-F205 HydrophobicContact CD1-CE2 4.43Å; N130-F205 WeakPolarHBondContact O-CE2 3.15Å; Q131-F205 HydrophobicContact CB-CZ 4.24Å; Q131-F205 HydrophobicContact CG-CE2 4.49Å; Q131-F205 HydrophobicContact CG-CZ 4.09Å; R134-F205 HydrophobicContact CB-CB 4.09Å; R134-F205 HydrophobicContact CB-CD1 4.15Å; R134-F205 HydrophobicContact CB-CD2 4.43Å; R134-F205 HydrophobicContact CB-CG 3.97Å; R134-F205 HydrophobicContact CG-CD1 4.05Å; R134-F205 HydrophobicContact CG-CE1 4.38Å; R134-F205 HydrophobicContact CG-CG 4.37Å; R134-F205 WeakPolarHBondContact O-CB 3.46Å; V136-F205 HydrophobicContact CG2-CB 4.09Å; V136-F205 HydrophobicContact CG2-CD2 4.28Å; S202-F205 WeakPolarHBondContact O-CB 3.33Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-F205 VanDerWaalsContact O-N 3.11Å; Y203-F205 PolarHBondContact O-N 3.49Å; F205-Y207 PolarHBondContact O-N 3.44Å; F205-C208 PolarHBondContact O-N 2.88Å; F205-T209 HydrophobicContact CD2-CG2 4.35Å; F205-T209 HydrophobicContact CE1-CG2 4.27Å; F205-T209 HydrophobicContact CE2-CG2 4.07Å; F205-T209 HydrophobicContact CZ-CG2 4Å; F205-T209 WeakPolarHBondContact O-CB 3.3Å; F205-T209 WeakPolarHBondContact O-CG2 3.39Å; F205-T209 PolarHBondContact O-N 3.12Å; F205-T209 PolarHBondContact O-OG1 3.27Å |
| 206 | D | 92.4 | Very high | 90.4 | Very high | 72 Ų | 72 | 70.4 Ų | 70.4 | 39% | 0.385 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -67.8 | -24.8 | 178.7 | -67.9 | -30.9 | 0 | 0 | 0 | 111.7 | R134 Y203 L210 | R134-D206 IonicContact CZ-OD1 3.01Å; R134-D206 IonicContact CZ-OD2 3.57Å; R134-D206 VanDerWaalsContact NH1-CG 3.29Å; R134-D206 IonicContact NH1-OD1 3.57Å; R134-D206 PolarHBondContact NH1-OD1 3.39Å; R134-D206 IonicContact NH1-OD2 3.35Å; R134-D206 PolarHBondContact NH1-OD2 3.32Å; R134-D206 IonicContact NH2-OD1 3.18Å; R134-D206 PolarHBondContact NH2-OD1 3.14Å; R134-D206 IonicContact NH2-OD2 2.7Å; Y203-D206 PolarHBondContact O-N 2.93Å; D206-L210 WeakPolarHBondContact O-CB 3.29Å |
| 207 | Y | 92.9 | Very high | 90.2 | Very high | 83 Ų | 83 | 71.4 Ų | 71.4 | 33% | 0.325 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -74.7 | -59.1 | 170.1 | 174.9 | -104.5 | 0 | 0 | 0 | 111.7 | Y203 M204 F205 T209 L210 I213 H216 I218 | Y203-Y207 PolarHBondContact O-N 2.97Å; M204-Y207 PolarHBondContact O-N 2.96Å; M204-Y207 HydrophobicContact SD-CD1 3.66Å; M204-Y207 HydrophobicContact SD-CE1 4.48Å; M204-Y207 HydrophobicContact SD-CG 4.3Å; F205-Y207 PolarHBondContact O-N 3.44Å; Y207-T209 PolarHBondContact O-N 3.49Å; Y207-L210 WeakPolarHBondContact O-CB 3.24Å; Y207-L210 PolarHBondContact O-N 3.45Å; Y207-I213 HydrophobicContact CE2-CD1 4.13Å; Y207-H216 HydrophobicContact CD1-CB 4.33Å; Y207-H216 HydrophobicContact CE1-CB 3.79Å; Y207-H216 PolarHBondContact O-CD2 3.19Å; Y207-H216 PolarHBondContact O-NE2 3.34Å; Y207-I218 HydrophobicContact CD1-CG2 4.41Å; Y207-I218 HydrophobicContact CE1-CG2 4.07Å |
| 208 | C | 92.6 | Very high | 90.1 | Very high | 2 Ų | 2 | 71.7 Ų | 71.7 | 1% | 0.014 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61.6 | -28.3 | -174.2 | -59.2 | 0 | 0 | 0 | 0 | 113.5 | Y129 V136 M204 F205 C247 | Y129-C208 HydrophobicContact CE1-CB 4Å; Y129-C208 PolarHBondContact OH-O 3.3Å; V136-C208 HydrophobicContact CG2-CB 4.33Å; M204-C208 WeakPolarHBondContact O-CB 3.29Å; M204-C208 PolarHBondContact O-N 3.24Å; M204-C208 PolarHBondContact O-SG 2.94Å; F205-C208 PolarHBondContact O-N 2.88Å; C208-C247 HydrophobicContact CB-CB 4Å; C208-C247 WeakPolarHBondContact CB-O 3.12Å; C208-C247 WeakPolarHBondContact CB-SG 3.2Å; C208-C247 WeakPolarHBondContact SG-CB 3.49Å; C208-C247 CovalentContact SG-SG 2.03Å; C208-C247 PolarHBondContact SG-SG 3.29Å |
| 209 | T | 92.7 | Very high | 90.1 | Very high | 56 Ų | 56 | 74 Ų | 74 | 34% | 0.344 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 0.5 | 177.4 | 61.4 | 0 | 0 | 0 | 0 | 114 | Y129 F205 Y207 P211 | Y129-T209 HydrophobicContact CD1-CG2 3.82Å; Y129-T209 HydrophobicContact CE1-CG2 3.7Å; Y129-T209 HydrophobicContact CG-CG2 4.31Å; F205-T209 HydrophobicContact CD2-CG2 4.35Å; F205-T209 HydrophobicContact CE1-CG2 4.27Å; F205-T209 HydrophobicContact CE2-CG2 4.07Å; F205-T209 HydrophobicContact CZ-CG2 4Å; F205-T209 WeakPolarHBondContact O-CB 3.3Å; F205-T209 WeakPolarHBondContact O-CG2 3.39Å; F205-T209 PolarHBondContact O-N 3.12Å; F205-T209 PolarHBondContact O-OG1 3.27Å; Y207-T209 PolarHBondContact O-N 3.49Å; T209-P211 VanDerWaalsContact O-CD 3.31Å; T209-P211 WeakPolarHBondContact O-CD 3.27Å |
| 210 | L | 92.6 | Very high | 90.4 | Very high | 67 Ų | 67 | 67.3 Ų | 67.3 | 35% | 0.351 | 35% | 0.349 | S | S | . | . | trans | -69.4 | 113.2 | -171.6 | -167.5 | 71.2 | 0 | 0 | 0 | 112.1 | D206 Y207 T212 I213 H216 | D206-L210 WeakPolarHBondContact O-CB 3.29Å; Y207-L210 WeakPolarHBondContact O-CB 3.24Å; Y207-L210 PolarHBondContact O-N 3.45Å; L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 WeakPolarHBondContact CD2-OG1 3.36Å; L210-T212 WeakPolarHBondContact CG-OG1 3.33Å; L210-T212 PolarHBondContact O-N 3.45Å; L210-T212 VanDerWaalsContact O-N 3.17Å; L210-I213 HydrophobicContact CD2-CD1 3.97Å; L210-I213 HydrophobicContact CD2-CG1 4.27Å; L210-I213 PolarHBondContact O-N 2.92Å; L210-H216 PolarHBondContact O-NE2 3.04Å | ||
| 211 | P | 88.3 | Confident | 90.7 | Very high | 121 Ų | 121 | 60.7 Ų | 60.7 | 79% | 0.786 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.7 | -169.5 | 31.3 | -37.4 | 0 | 0 | 0 | 114.7 | T209 I213 | T209-P211 VanDerWaalsContact O-CD 3.31Å; T209-P211 WeakPolarHBondContact O-CD 3.27Å; P211-I213 VanDerWaalsContact C-N 3.33Å |
| 212 | T | 88.3 | Confident | 90.9 | Very high | 119 Ų | 119 | 59.7 Ų | 59.7 | 73% | 0.73 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17 | 174.9 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | L210 | L210-T212 VanDerWaalsContact C-N 3.25Å; L210-T212 WeakPolarHBondContact CD2-OG1 3.36Å; L210-T212 WeakPolarHBondContact CG-OG1 3.33Å; L210-T212 PolarHBondContact O-N 3.45Å; L210-T212 VanDerWaalsContact O-N 3.17Å |
| 213 | I | 86.1 | Confident | 91.2 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 31% | 0.313 | 31% | 0.312 | S | S | . | . | trans | -109.6 | 142.4 | 177.7 | -63.4 | 177.5 | 0 | 0 | 0 | 108 | Y207 L210 P211 V215 H216 | Y207-I213 HydrophobicContact CE2-CD1 4.13Å; L210-I213 HydrophobicContact CD2-CD1 3.97Å; L210-I213 HydrophobicContact CD2-CG1 4.27Å; L210-I213 PolarHBondContact O-N 2.92Å; P211-I213 VanDerWaalsContact C-N 3.33Å; I213-V215 WeakPolarHBondContact CG2-O 3.48Å; I213-H216 PolarHBondContact O-CE1 3.01Å; I213-H216 PolarHBondContact O-NE2 3Å | ||
| 214 | K | 82.3 | Confident | 91.4 | Very high | 201 Ų | 201 | 54.4 Ų | 54.4 | 87% | 0.874 | 29% | 0.289 | S | S | * | . | S | Bend | trans | -103 | -12.3 | -177.9 | -70.2 | -170.4 | 176.5 | -175.5 | 0 | 115 | ||
| 215 | V | 86.6 | Confident | 91.6 | Very high | 76 Ų | 76 | 55.3 Ų | 55.3 | 46% | 0.461 | 30% | 0.295 | S | S | . | . | trans | -148.1 | 117 | -175.8 | -179.8 | 0 | 0 | 0 | 0 | 106.6 | I213 N217 | I213-V215 WeakPolarHBondContact CG2-O 3.48Å; V215-N217 WeakPolarHBondContact CG1-ND2 3.34Å | ||
| 216 | H | 90.9 | Very high | 91.6 | Very high | 12 Ų | 12 | 54.5 Ų | 54.5 | 6% | 0.056 | 29% | 0.291 | C | S | . | . | trans | -111.1 | 61.8 | -169.5 | -55.4 | 82.7 | 0 | 0 | 0 | 109.6 | Y207 L210 I213 I218 D246 C247 G248 | Y207-H216 HydrophobicContact CD1-CB 4.33Å; Y207-H216 HydrophobicContact CE1-CB 3.79Å; Y207-H216 PolarHBondContact O-CD2 3.19Å; Y207-H216 PolarHBondContact O-NE2 3.34Å; L210-H216 PolarHBondContact O-NE2 3.04Å; I213-H216 PolarHBondContact O-CE1 3.01Å; I213-H216 PolarHBondContact O-NE2 3Å; H216-I218 PolarHBondContact O-N 3.49Å; H216-D246 PolarHBondContact N-OD1 3Å; H216-C247 PolarHBondContact O-N 2.91Å; H216-C247 PolarHBondContact O-SG 2.96Å; H216-G248 WeakPolarHBondContact ND1-CA 3.2Å | ||
| 217 | N | 90.7 | Very high | 91.8 | Very high | 82 Ų | 82 | 52 Ų | 52 | 44% | 0.439 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.1 | 115.1 | -176.4 | -76.9 | -34.1 | 0 | 0 | 0 | 112.1 | V215 Y244 V245 | V215-N217 WeakPolarHBondContact CG1-ND2 3.34Å; N217-Y244 HydrophobicContact CB-CD1 4.46Å; N217-V245 WeakPolarHBondContact CA-O 3.42Å |
| 218 | I | 92.3 | Very high | 91.8 | Very high | 8 Ų | 8 | 48 Ų | 48 | 4% | 0.041 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 150.9 | 167.3 | 62.5 | 167 | 0 | 0 | 0 | 110.6 | L138 F165 I197 M204 Y207 H216 V220 Y244 V245 C247 | L138-I218 HydrophobicContact CD1-CD1 3.66Å; F165-I218 HydrophobicContact CD2-CD1 4.38Å; F165-I218 HydrophobicContact CE2-CB 4.1Å; I197-I218 HydrophobicContact CD1-CD1 3.8Å; M204-I218 HydrophobicContact CE-CG2 4.41Å; M204-I218 HydrophobicContact SD-CG2 3.66Å; Y207-I218 HydrophobicContact CD1-CG2 4.41Å; Y207-I218 HydrophobicContact CE1-CG2 4.07Å; H216-I218 PolarHBondContact O-N 3.49Å; I218-V220 HydrophobicContact CD1-CG1 3.94Å; I218-V220 HydrophobicContact CG1-CG1 4.32Å; I218-Y244 WeakPolarHBondContact O-CA 3.47Å; I218-V245 HydrophobicContact CG1-CB 4.44Å; I218-V245 WeakPolarHBondContact CG1-O 3.38Å; I218-V245 PolarHBondContact N-O 2.85Å; I218-V245 PolarHBondContact O-N 3.11Å; I218-C247 HydrophobicContact CD1-CB 4.19Å; I218-C247 HydrophobicContact CG1-CB 4.26Å; I218-C247 HydrophobicContact CG2-CB 4.37Å |
| 219 | V | 92.8 | Very high | 91.9 | Very high | 61 Ų | 61 | 49.6 Ų | 49.6 | 37% | 0.37 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.4 | 171 | 179 | 0 | 0 | 0 | 0 | 109 | F165 Y242 Y244 | F165-V219 VanDerWaalsContact CD2-O 3.28Å; F165-V219 WeakPolarHBondContact CD2-O 3.24Å; V219-Y242 HydrophobicContact CG1-CD1 4.17Å; V219-Y244 HydrophobicContact CG2-CD1 3.67Å; V219-Y244 HydrophobicContact CG2-CE1 3.33Å; V219-Y244 HydrophobicContact CG2-CG 4.46Å |
| 220 | V | 93.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 48.7 Ų | 48.7 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 145.9 | 170.9 | -62.6 | 0 | 0 | 0 | 0 | 110.7 | I140 V163 Q164 F165 I170 I218 M222 Q243 V245 | I140-V220 HydrophobicContact CD1-CG2 4.29Å; V163-V220 HydrophobicContact CG1-CB 3.68Å; V163-V220 HydrophobicContact CG1-CG1 4.08Å; V163-V220 HydrophobicContact CG1-CG2 3.96Å; Q164-V220 WeakPolarHBondContact O-CA 3.36Å; F165-V220 HydrophobicContact CD2-CG1 4.29Å; I170-V220 HydrophobicContact CD1-CG1 4.17Å; I218-V220 HydrophobicContact CD1-CG1 3.94Å; I218-V220 HydrophobicContact CG1-CG1 4.32Å; V220-M222 HydrophobicContact CG2-SD 4.4Å; V220-Q243 HydrophobicContact CG2-CG 3.63Å; V220-Q243 PolarHBondContact N-O 3.12Å; V220-Q243 PolarHBondContact O-N 3Å; V220-V245 HydrophobicContact CG2-CG2 3.81Å |
| 221 | M | 94.6 | Very high | 91.8 | Very high | 27 Ų | 27 | 51.9 Ų | 51.9 | 13% | 0.133 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 117.1 | 172.5 | -176 | -179.9 | 175.9 | 0 | 0 | 108.5 | Q164 E240 Y242 | Q164-M221 HydrophobicContact CB-CB 4.31Å; Q164-M221 PolarHBondContact N-O 3.39Å; Q164-M221 PolarHBondContact O-N 2.89Å; M221-E240 HydrophobicContact CE-CB 3.94Å; M221-E240 VanDerWaalsContact CE-CD 3.49Å; M221-E240 HydrophobicContact CE-CG 3.86Å; M221-E240 WeakPolarHBondContact CE-OE2 3.45Å; M221-Y242 HydrophobicContact CB-CD1 3.88Å; M221-Y242 HydrophobicContact CB-CE1 3.67Å; M221-Y242 HydrophobicContact CG-CD1 4.19Å; M221-Y242 HydrophobicContact CG-CE1 3.76Å; M221-Y242 HydrophobicContact SD-CE1 3.91Å |
| 222 | M | 93.5 | Very high | 91.8 | Very high | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.015 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.1 | 126.8 | 169.4 | -58.7 | -58.6 | -54.5 | 0 | 0 | 108.7 | N142 V163 Y191 V193 V220 E240 M241 Q243 | N142-M222 WeakPolarHBondContact ND2-CE 3.47Å; V163-M222 HydrophobicContact CB-SD 4.3Å; V163-M222 HydrophobicContact CG1-SD 3.98Å; V163-M222 HydrophobicContact CG2-CE 3.63Å; V163-M222 HydrophobicContact CG2-SD 3.66Å; Y191-M222 HydrophobicContact CE2-CE 3.75Å; V193-M222 HydrophobicContact CG2-CE 3.95Å; V220-M222 HydrophobicContact CG2-SD 4.4Å; M222-E240 WeakPolarHBondContact O-CA 3.3Å; M222-M241 PolarHBondContact N-O 3.32Å; M222-M241 PolarHBondContact O-N 2.74Å; M222-Q243 HydrophobicContact CG-CG 3.89Å; M222-Q243 HydrophobicContact SD-CG 4.48Å |
| 223 | Q | 95.5 | Very high | 91.8 | Very high | 57 Ų | 57 | 50.7 Ų | 50.7 | 27% | 0.266 | 28% | 0.275 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 124.3 | 165.8 | -177.4 | -175.5 | 65.5 | 0 | 0 | 108 | A161 Q162 E240 | A161-Q223 WeakPolarHBondContact CA-O 3.32Å; Q162-Q223 HydrophobicContact CB-CB 4.45Å; Q162-Q223 PolarHBondContact N-O 2.83Å; Q162-Q223 PolarHBondContact O-N 2.88Å; Q223-E240 HydrophobicContact CB-CG 4.09Å; Q223-E240 HydrophobicContact CG-CG 3.82Å; Q223-E240 PolarHBondContact NE2-OE1 3.11Å |
| 224 | V | 95.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 51.5 Ų | 51.5 | 3% | 0.03 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.5 | 135.9 | -177.7 | -178.4 | 0 | 0 | 0 | 0 | 109.1 | L144 I159 T160 A161 Y191 V226 S238 Q239 | L144-V224 HydrophobicContact CD1-CG1 3.84Å; L144-V224 HydrophobicContact CD2-CG1 4.43Å; I159-V224 HydrophobicContact CG2-CG1 3.79Å; T160-V224 CarbonylContact O-C 3.59Å; T160-V224 WeakPolarHBondContact O-CA 3.25Å; A161-V224 HydrophobicContact CB-CG2 4.3Å; Y191-V224 HydrophobicContact CE1-CG2 4.33Å; Y191-V224 HydrophobicContact CE2-CG2 3.94Å; Y191-V224 WeakPolarHBondContact OH-CG2 3.23Å; V224-V226 HydrophobicContact CG1-CG2 4.3Å; V224-S238 CarbonylContact O-C 3.59Å; V224-S238 VanDerWaalsContact O-CA 3.22Å; V224-S238 WeakPolarHBondContact O-CA 3.35Å; V224-Q239 PolarHBondContact N-O 2.8Å; V224-Q239 PolarHBondContact O-N 3.39Å |
| 225 | T | 95.4 | Very high | 92.6 | Very high | 30 Ų | 30 | 45 Ų | 45 | 18% | 0.184 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.4 | 111.3 | 171.7 | -47.5 | 0 | 0 | 0 | 0 | 109.2 | T160 Q236 V237 | T160-T225 PolarHBondContact N-O 2.99Å; T160-T225 PolarHBondContact O-N 3.32Å; T225-Q236 HydrophobicContact CG2-CB 4.03Å; T225-Q236 HydrophobicContact CG2-CG 4.49Å; T225-V237 WeakPolarHBondContact CA-O 3.18Å |
| 226 | V | 95.3 | Very high | 93 | Very high | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88 | 128.1 | 173.4 | -178.1 | 0 | 0 | 0 | 0 | 108.2 | V117 L144 I146 V156 V224 T228 Q236 V237 | V117-V226 HydrophobicContact CG1-CG2 3.88Å; V117-V226 HydrophobicContact CG2-CB 4.08Å; V117-V226 HydrophobicContact CG2-CG2 3.85Å; L144-V226 HydrophobicContact CD1-CG2 4.21Å; I146-V226 HydrophobicContact CD1-CG1 3.92Å; I146-V226 HydrophobicContact CD1-CG2 4.28Å; V156-V226 HydrophobicContact CG1-CG1 3.89Å; V156-V226 HydrophobicContact CG2-CG1 4.49Å; V224-V226 HydrophobicContact CG1-CG2 4.3Å; V226-T228 HydrophobicContact CG1-CG2 4.14Å; V226-Q236 WeakPolarHBondContact O-CA 3.4Å; V226-V237 PolarHBondContact N-O 3.24Å; V226-V237 PolarHBondContact O-N 3.17Å |
| 227 | T | 95.2 | Very high | 93.1 | Very high | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.1 | 106.6 | 175.7 | -48.9 | 0 | 0 | 0 | 0 | 110 | T157 N158 E235 Q236 | T157-T227 PolarHBondContact N-O 2.84Å; T157-T227 PolarHBondContact OG1-O 2.98Å; N158-T227 PolarHBondContact N-O 2.73Å; N158-T227 PolarHBondContact O-N 3.09Å; T227-E235 CarbonylContact C-O 3.52Å; T227-E235 WeakPolarHBondContact CA-O 3.3Å; T227-Q236 HydrophobicContact CG2-CG 3.94Å |
| 228 | T | 94.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 49.1 Ų | 49.1 | 1% | 0.006 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 157.1 | 177 | 48.1 | 0 | 0 | 0 | 0 | 111.1 | I115 I154 S155 V156 V226 A234 E235 | I115-T228 HydrophobicContact CD1-CG2 4.12Å; I115-T228 WeakPolarHBondContact CD1-OG1 3.47Å; I115-T228 HydrophobicContact CG2-CG2 4.3Å; I154-T228 HydrophobicContact CD1-CG2 4.17Å; S155-T228 CarbonylContact O-C 3.47Å; S155-T228 WeakPolarHBondContact O-CA 3.22Å; V156-T228 HydrophobicContact CG2-CG2 4.11Å; V226-T228 HydrophobicContact CG1-CG2 4.14Å; T228-A234 CarbonylContact O-C 3.56Å; T228-A234 VanDerWaalsContact O-CA 3.25Å; T228-A234 WeakPolarHBondContact O-CA 3.29Å; T228-E235 PolarHBondContact N-O 2.93Å; T228-E235 PolarHBondContact O-N 3.14Å |
| 229 | S | 94.3 | Very high | 93.3 | Very high | 35 Ų | 35 | 51.5 Ų | 51.5 | 25% | 0.245 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138 | 146.7 | 170.2 | 67.6 | 0 | 0 | 0 | 0 | 112.5 | S155 T157 H233 | S155-S229 PolarHBondContact N-O 3Å; S155-S229 PolarHBondContact O-N 2.85Å; T157-S229 WeakPolarHBondContact CG2-OG 3.22Å; S229-H233 VanDerWaalsContact CA-O 3.22Å; S229-H233 WeakPolarHBondContact CA-O 3.46Å; S229-H233 VanDerWaalsContact CB-O 3.27Å; S229-H233 WeakPolarHBondContact CB-O 3.06Å |
| 230 | Y | 92.6 | Very high | 93.3 | Very high | 36 Ų | 36 | 53.8 Ų | 53.8 | 14% | 0.141 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -158.5 | 141.1 | 179.4 | 54 | -94.3 | 0 | 0 | 0 | 109.1 | I115 Y152 I154 G232 H233 E235 | I115-Y230 HydrophobicContact CD1-CD1 4.5Å; I115-Y230 HydrophobicContact CD1-CE1 4.28Å; Y152-Y230 HydrophobicContact CE2-CD1 4.26Å; Y152-Y230 AromaticContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CD2 3.72Å; Y152-Y230 HydrophobicContact CE2-CE2 4.44Å; Y152-Y230 AromaticContact CE2-CG 3.62Å; Y152-Y230 HydrophobicContact CE2-CG 3.62Å; Y152-Y230 AromaticContact CZ-CD2 3.93Å; Y152-Y230 WeakPolarHBondContact OH-CE2 3.37Å; I154-Y230 HydrophobicContact CG2-CD1 4.2Å; Y230-G232 PolarHBondContact O-N 3.09Å; Y230-H233 HydrophobicContact CE2-CB 4.37Å; Y230-H233 PolarHBondContact N-O 3Å; Y230-H233 PolarHBondContact O-N 3.08Å; Y230-E235 HydrophobicContact CE1-CB 4.08Å; Y230-E235 WeakPolarHBondContact CE1-OE2 3.15Å; Y230-E235 PolarHBondContact OH-OE2 3.14Å |
| 231 | F | 90.4 | Very high | 93.2 | Very high | 135 Ų | 135 | 56.1 Ų | 56.1 | 59% | 0.592 | 32% | 0.315 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.1 | 28 | -179.7 | -55.5 | -58.1 | 0 | 0 | 0 | 116.3 | L110 Y152 H233 | L110-F231 HydrophobicContact CD2-CE2 3.95Å; L110-F231 HydrophobicContact CD2-CZ 3.72Å; Y152-F231 AromaticContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CE2 3.62Å; Y152-F231 HydrophobicContact CD1-CZ 4.14Å; Y152-F231 AromaticContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CE2 3.82Å; Y152-F231 HydrophobicContact CD2-CZ 4.33Å; Y152-F231 AromaticContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE1-CE2 3.85Å; Y152-F231 HydrophobicContact CE2-CD2 4.45Å; Y152-F231 HydrophobicContact CE2-CE2 4.06Å; Y152-F231 AromaticContact CG-CE2 3.58Å; Y152-F231 HydrophobicContact CG-CE2 3.58Å; Y152-F231 AromaticContact CG-CZ 3.87Å; Y152-F231 HydrophobicContact CG-CZ 3.87Å; F231-H233 VanDerWaalsContact C-N 3.27Å; F231-H233 PolarHBondContact O-N 3.12Å |
| 232 | G | 87.3 | Confident | 93.1 | Very high | 85 Ų | 85 | 62 Ų | 62 | 88% | 0.876 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | -7.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 115 | Y230 | Y230-G232 PolarHBondContact O-N 3.09Š|
| 233 | H | 89.7 | Confident | 92.9 | Very high | 130 Ų | 130 | 62.3 Ų | 62.3 | 60% | 0.602 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.7 | 156.1 | 167.3 | -66 | -87.1 | 0 | 0 | 0 | 110.8 | S229 Y230 F231 | S229-H233 VanDerWaalsContact CA-O 3.22Å; S229-H233 WeakPolarHBondContact CA-O 3.46Å; S229-H233 VanDerWaalsContact CB-O 3.27Å; S229-H233 WeakPolarHBondContact CB-O 3.06Å; Y230-H233 HydrophobicContact CE2-CB 4.37Å; Y230-H233 PolarHBondContact N-O 3Å; Y230-H233 PolarHBondContact O-N 3.08Å; F231-H233 VanDerWaalsContact C-N 3.27Å; F231-H233 PolarHBondContact O-N 3.12Å |
| 234 | A | 92.4 | Very high | 92.7 | Very high | 77 Ų | 77 | 67.6 Ų | 67.6 | 64% | 0.636 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 134.9 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.7 | T228 | T228-A234 CarbonylContact O-C 3.56Å; T228-A234 VanDerWaalsContact O-CA 3.25Å; T228-A234 WeakPolarHBondContact O-CA 3.29Å |
| 235 | E | 92.1 | Very high | 92.5 | Very high | 64 Ų | 64 | 67.6 Ų | 67.6 | 30% | 0.299 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 153.3 | -179.3 | -176.2 | 175.2 | -160.7 | 0 | 0 | 109.3 | T227 T228 Y230 | T227-E235 CarbonylContact C-O 3.52Å; T227-E235 WeakPolarHBondContact CA-O 3.3Å; T228-E235 PolarHBondContact N-O 2.93Å; T228-E235 PolarHBondContact O-N 3.14Å; Y230-E235 HydrophobicContact CE1-CB 4.08Å; Y230-E235 WeakPolarHBondContact CE1-OE2 3.15Å; Y230-E235 PolarHBondContact OH-OE2 3.14Å |
| 236 | Q | 94.4 | Very high | 92.4 | Very high | 139 Ų | 139 | 67 Ų | 67 | 65% | 0.65 | 35% | 0.353 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 118 | 178.7 | -68.2 | -175.9 | 48.8 | 0 | 0 | 109.9 | T225 V226 T227 | T225-Q236 HydrophobicContact CG2-CB 4.03Å; T225-Q236 HydrophobicContact CG2-CG 4.49Å; V226-Q236 WeakPolarHBondContact O-CA 3.4Å; T227-Q236 HydrophobicContact CG2-CG 3.94Å |
| 237 | V | 93.9 | Very high | 92.2 | Very high | 35 Ų | 35 | 67 Ų | 67 | 21% | 0.212 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 122.1 | 176.5 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | V117 T225 V226 | V117-V237 HydrophobicContact CB-CG1 4.15Å; V117-V237 HydrophobicContact CG2-CB 3.98Å; V117-V237 HydrophobicContact CG2-CG1 3.74Å; T225-V237 WeakPolarHBondContact CA-O 3.18Å; V226-V237 PolarHBondContact N-O 3.24Å; V226-V237 PolarHBondContact O-N 3.17Å |
| 238 | S | 93.7 | Very high | 92 | Very high | 84 Ų | 84 | 67 Ų | 67 | 59% | 0.587 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 133.9 | -179.7 | 55.8 | 0 | 0 | 0 | 0 | 112.1 | V224 | V224-S238 CarbonylContact O-C 3.59Å; V224-S238 VanDerWaalsContact O-CA 3.22Å; V224-S238 WeakPolarHBondContact O-CA 3.35Å |
| 239 | Q | 93.6 | Very high | 91.7 | Very high | 58 Ų | 58 | 68.3 Ų | 68.3 | 27% | 0.271 | 37% | 0.371 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.7 | 140.9 | 176.8 | -179.9 | 164.6 | 68.1 | 0 | 0 | 110.4 | V117 V224 | V117-Q239 PolarHBondContact O-NE2 2.99Å; V117-Q239 PolarHBondContact O-OE1 2.87Å; V224-Q239 PolarHBondContact N-O 2.8Å; V224-Q239 PolarHBondContact O-N 3.39Å |
| 240 | E | 93.6 | Very high | 91.6 | Very high | 108 Ų | 108 | 71.7 Ų | 71.7 | 51% | 0.505 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 138.2 | 178.1 | -72 | 174 | -171.1 | 0 | 0 | 109.6 | M221 M222 Q223 | M221-E240 HydrophobicContact CE-CB 3.94Å; M221-E240 VanDerWaalsContact CE-CD 3.49Å; M221-E240 HydrophobicContact CE-CG 3.86Å; M221-E240 WeakPolarHBondContact CE-OE2 3.45Å; M222-E240 WeakPolarHBondContact O-CA 3.3Å; Q223-E240 HydrophobicContact CB-CG 4.09Å; Q223-E240 HydrophobicContact CG-CG 3.82Å; Q223-E240 PolarHBondContact NE2-OE1 3.11Å |
| 241 | M | 91.5 | Very high | 91.3 | Very high | 50 Ų | 50 | 72 Ų | 72 | 25% | 0.246 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 141.9 | -178.1 | -178.1 | 55.9 | 175.5 | 0 | 0 | 110.8 | Y119 M222 | Y119-M241 HydrophobicContact CD1-CG 4.2Å; Y119-M241 HydrophobicContact CE1-CG 4.46Å; Y119-M241 HydrophobicContact CG-CG 4.31Å; M222-M241 PolarHBondContact N-O 3.32Å; M222-M241 PolarHBondContact O-N 2.74Å |
| 242 | Y | 91.9 | Very high | 90.9 | Very high | 151 Ų | 151 | 70.8 Ų | 70.8 | 59% | 0.592 | 40% | 0.395 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 131.5 | 170.8 | -64.8 | -83.3 | 0 | 0 | 0 | 109.8 | V219 M221 | V219-Y242 HydrophobicContact CG1-CD1 4.17Å; M221-Y242 HydrophobicContact CB-CD1 3.88Å; M221-Y242 HydrophobicContact CB-CE1 3.67Å; M221-Y242 HydrophobicContact CG-CD1 4.19Å; M221-Y242 HydrophobicContact CG-CE1 3.76Å; M221-Y242 HydrophobicContact SD-CE1 3.91Å |
| 243 | Q | 89.6 | Confident | 89.9 | Confident | 9 Ų | 9 | 68.2 Ų | 68.2 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.2 | 148.3 | 176.3 | 63.2 | 175.6 | 64.3 | 0 | 0 | 111.5 | Y119 N142 V220 M222 V245 | Y119-Q243 PolarHBondContact OH-OE1 3.31Å; N142-Q243 PolarHBondContact ND2-OE1 3.47Å; N142-Q243 PolarHBondContact OD1-OE1 3.33Å; V220-Q243 HydrophobicContact CG2-CG 3.63Å; V220-Q243 PolarHBondContact N-O 3.12Å; V220-Q243 PolarHBondContact O-N 3Å; M222-Q243 HydrophobicContact CG-CG 3.89Å; M222-Q243 HydrophobicContact SD-CG 4.48Å; Q243-V245 HydrophobicContact CG-CG2 4.17Å; Q243-V245 VanDerWaalsContact NE2-CG2 3.28Å |
| 244 | Y | 90.8 | Very high | 88.1 | Confident | 168 Ų | 168 | 71.2 Ų | 71.2 | 66% | 0.659 | 38% | 0.381 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 135.4 | 168.3 | -65.8 | -91.9 | 0 | 0 | 0 | 109.3 | N217 I218 V219 | N217-Y244 HydrophobicContact CB-CD1 4.46Å; I218-Y244 WeakPolarHBondContact O-CA 3.47Å; V219-Y244 HydrophobicContact CG2-CD1 3.67Å; V219-Y244 HydrophobicContact CG2-CE1 3.33Å; V219-Y244 HydrophobicContact CG2-CG 4.46Å |
| 245 | V | 91.7 | Very high | 86 | Confident | 4 Ų | 4 | 74.4 Ų | 74.4 | 2% | 0.024 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.9 | 128.1 | 176.2 | 176.3 | 0 | 0 | 0 | 0 | 107.9 | A125 I140 N217 I218 V220 Q243 C247 | A125-V245 HydrophobicContact CB-CG1 3.67Å; I140-V245 HydrophobicContact CD1-CG1 4.4Å; I140-V245 HydrophobicContact CD1-CG2 4.06Å; I140-V245 HydrophobicContact CG1-CG1 4.34Å; I140-V245 HydrophobicContact CG1-CG2 4.44Å; N217-V245 WeakPolarHBondContact CA-O 3.42Å; I218-V245 HydrophobicContact CG1-CB 4.44Å; I218-V245 WeakPolarHBondContact CG1-O 3.38Å; I218-V245 PolarHBondContact N-O 2.85Å; I218-V245 PolarHBondContact O-N 3.11Å; V220-V245 HydrophobicContact CG2-CG2 3.81Å; Q243-V245 HydrophobicContact CG-CG2 4.17Å; Q243-V245 VanDerWaalsContact NE2-CG2 3.28Å; V245-C247 PolarHBondContact O-N 3.06Å |
| 246 | D | 92.1 | Very high | 83.6 | Confident | 18 Ų | 18 | 73.7 Ų | 73.7 | 10% | 0.096 | 39% | 0.391 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 116.7 | 170.3 | -168.5 | -10.4 | 0 | 0 | 0 | 108.8 | H216 G248 T251 | H216-D246 PolarHBondContact N-OD1 3Å; D246-G248 VanDerWaalsContact C-N 3.34Å; D246-G248 WeakPolarHBondContact OD1-CA 3.45Å; D246-G248 PolarHBondContact OD1-N 2.98Å; D246-T251 HydrophobicContact CB-CG2 3.92Å |
| 247 | C | 92.4 | Very high | 81 | Confident | 0 Ų | 0 | 73.3 Ų | 73.3 | 0% | 0 | 39% | 0.39 | C | S | . | . | S | Bend | trans | -89.4 | -1.6 | 174.9 | 73.3 | 0 | 0 | 0 | 0 | 113.3 | V127 Y129 L138 C208 H216 I218 V245 | V127-C247 WeakPolarHBondContact CG1-O 3.3Å; Y129-C247 PolarHBondContact OH-O 2.87Å; L138-C247 HydrophobicContact CD1-CB 4.07Å; L138-C247 HydrophobicContact CD2-CB 3.98Å; C208-C247 HydrophobicContact CB-CB 4Å; C208-C247 WeakPolarHBondContact CB-O 3.12Å; C208-C247 WeakPolarHBondContact CB-SG 3.2Å; C208-C247 WeakPolarHBondContact SG-CB 3.49Å; C208-C247 CovalentContact SG-SG 2.03Å; C208-C247 PolarHBondContact SG-SG 3.29Å; H216-C247 PolarHBondContact O-N 2.91Å; H216-C247 PolarHBondContact O-SG 2.96Å; I218-C247 HydrophobicContact CD1-CB 4.19Å; I218-C247 HydrophobicContact CG1-CB 4.26Å; I218-C247 HydrophobicContact CG2-CB 4.37Å; V245-C247 PolarHBondContact O-N 3.06Å |
| 248 | G | 90.6 | Very high | 78.4 | Confident | 21 Ų | 21 | 76.4 Ų | 76.4 | 22% | 0.216 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -89.3 | -38.5 | -176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | Y129 H216 D246 | Y129-G248 VanDerWaalsContact OH-C 3.25Å; Y129-G248 WeakPolarHBondContact OH-CA 3.31Å; Y129-G248 PolarHBondContact OH-O 3.31Å; H216-G248 WeakPolarHBondContact ND1-CA 3.2Å; D246-G248 VanDerWaalsContact C-N 3.34Å; D246-G248 WeakPolarHBondContact OD1-CA 3.45Å; D246-G248 PolarHBondContact OD1-N 2.98Å |
| 249 | G | 87.4 | Confident | 75.6 | Confident | 28 Ų | 28 | 78.1 Ų | 78.1 | 29% | 0.289 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -146.8 | 158 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | V127 T251 | V127-G249 WeakPolarHBondContact CG2-O 3.37Å; G249-T251 PolarHBondContact O-N 2.59Å |
| 250 | N | 91.1 | Very high | 72.7 | Confident | 105 Ų | 105 | 81 Ų | 81 | 56% | 0.561 | 43% | 0.429 | S | S | * | . | trans | -62.8 | 123.1 | 176.7 | -70 | -32.7 | 0 | 0 | 0 | 110.8 | Y126 V127 | Y126-N250 VanDerWaalsContact CA-OD1 3.32Å; Y126-N250 WeakPolarHBondContact CA-OD1 3.26Å; Y126-N250 HydrophobicContact CD1-CB 4.2Å; V127-N250 PolarHBondContact N-OD1 3.3Å | ||
| 251 | T | 87 | Confident | 70.1 | Confident | 43 Ų | 43 | 85 Ų | 85 | 26% | 0.264 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 133.7 | 177.1 | 49.9 | 0 | 0 | 0 | 0 | 110.9 | S124 A125 D246 G249 | S124-T251 CarbonylContact C-O 3.5Å; S124-T251 VanDerWaalsContact CA-O 3.22Å; S124-T251 WeakPolarHBondContact CA-O 3.44Å; S124-T251 WeakPolarHBondContact CB-O 3.39Å; A125-T251 PolarHBondContact N-O 3.46Å; A125-T251 PolarHBondContact O-N 3.24Å; D246-T251 HydrophobicContact CB-CG2 3.92Å; G249-T251 PolarHBondContact O-N 2.59Å |
| 252 | T | 82.4 | Confident | 67.2 | Low | 109 Ų | 109 | 94.8 Ų | 94.8 | 67% | 0.669 | 49% | 0.485 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 120.4 | 167.4 | 45.2 | 0 | 0 | 0 | 0 | 107.5 | ||
| 253 | S | 66.5 | Low | 66 | Low | 32 Ų | 32 | 92 Ų | 92 | 22% | 0.224 | 48% | 0.48 | C | S | . | . | trans | -130.5 | 141.9 | -168.1 | 37.9 | 0 | 0 | 0 | 0 | 110.7 | V122 K123 | V122-S253 PolarHBondContact O-OG 3.04Å; V122-S253 VanDerWaalsContact O-OG 3.09Å; K123-S253 WeakPolarHBondContact CA-O 3.21Å; K123-S253 PolarHBondContact O-N 2.81Å; K123-S253 VanDerWaalsContact O-N 3.11Å | ||
| 254 | M | 51.4 | Low | 64.7 | Low | 193 Ų | 193 | 96.4 Ų | 96.4 | 95% | 0.951 | 50% | 0.503 | S | S | * | . | trans | -115.9 | 51.3 | 159.6 | -66.3 | -158.7 | 74.5 | 0 | 0 | 108.4 | G256 | M254-G256 PolarHBondContact O-N 3.22Å; M254-G256 VanDerWaalsContact O-N 3.15Å | ||
| 255 | H | 47.8 | Very low | 63.3 | Low | 144 Ų | 144 | 92.4 Ų | 92.4 | 67% | 0.667 | 50% | 0.495 | S | S | * | . | trans | -84.8 | 85.2 | 179.2 | -123.4 | 60.6 | 0 | 0 | 0 | 109 | ||||
| 256 | G | 42.5 | Very low | 61.6 | Low | 48 Ų | 48 | 97.6 Ų | 97.6 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | trans | -71.7 | 145.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | M254 | M254-G256 PolarHBondContact O-N 3.22Å; M254-G256 VanDerWaalsContact O-N 3.15Å | ||
| 257 | H | 40 | Very low | 59.7 | Low | 132 Ų | 132 | 102.6 Ų | 102.6 | 61% | 0.611 | 55% | 0.549 | S | S | * | . | trans | 50.1 | 79.9 | 168.2 | -81.7 | -81.9 | 0 | 0 | 0 | 117.3 | Q259 | H257-Q259 VanDerWaalsContact C-N 3.26Å; H257-Q259 PolarHBondContact O-N 3.04Å | ||
| 258 | V | 39.2 | Very low | 57.5 | Low | 100 Ų | 100 | 109.4 Ų | 109.4 | 61% | 0.606 | 59% | 0.585 | S | S | * | * | trans | -83.2 | 82.2 | 140.8 | -176.4 | 0 | 0 | 0 | 0 | 107.5 | V260 | V258-V260 HydrophobicContact CG1-CG2 4.1Å; V258-V260 PolarHBondContact O-N 2.87Å; V258-V260 VanDerWaalsContact O-N 3.14Å | ||
| 259 | Q | 35.5 | Very low | 55.1 | Low | 119 Ų | 119 | 115.7 Ų | 115.7 | 56% | 0.556 | 61% | 0.612 | S | S | * | * | trans | -77.8 | 94.9 | 174.5 | -137 | 173.4 | 14.1 | 0 | 0 | 108.4 | H257 Y261 | H257-Q259 VanDerWaalsContact C-N 3.26Å; H257-Q259 PolarHBondContact O-N 3.04Å; Q259-Y261 VanDerWaalsContact C-N 3.34Å; Q259-Y261 HydrophobicContact CB-CD2 4.46Å; Q259-Y261 HydrophobicContact CB-CE2 4.44Å; Q259-Y261 HydrophobicContact CG-CE2 4.28Å; Q259-Y261 PolarHBondContact O-N 2.83Å | ||
| 260 | V | 31.3 | Very low | 52.7 | Low | 120 Ų | 120 | 122.5 Ų | 122.5 | 73% | 0.727 | 64% | 0.637 | S | S | * | * | trans | -73 | 92.8 | 171.1 | -176.2 | 0 | 0 | 0 | 0 | 107.8 | V258 | V258-V260 HydrophobicContact CG1-CG2 4.1Å; V258-V260 PolarHBondContact O-N 2.87Å; V258-V260 VanDerWaalsContact O-N 3.14Å | ||
| 261 | Y | 38.9 | Very low | 49.5 | Very low | 190 Ų | 190 | 123.9 Ų | 123.9 | 75% | 0.745 | 64% | 0.643 | S | S | * | * | trans | -65.7 | 139.6 | 165 | -88.4 | -90.5 | 0 | 0 | 0 | 109.8 | Q259 | Q259-Y261 VanDerWaalsContact C-N 3.34Å; Q259-Y261 HydrophobicContact CB-CD2 4.46Å; Q259-Y261 HydrophobicContact CB-CE2 4.44Å; Q259-Y261 HydrophobicContact CG-CE2 4.28Å; Q259-Y261 PolarHBondContact O-N 2.83Å | ||
| 262 | Q | 31 | Very low | 46 | Very low | 257 Ų | 257 | 131.3 Ų | 131.3 | 100% | 1.201 | 68% | 0.677 | S | S | * | * | trans | -117.7 | 0 | 173.4 | -175.2 | 176.6 | 3.6 | 0 | 0 | 109.3 |
Retrieved 262 of 262 residues in 456.9 ms
(Link to these results)