| 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 | 40 | Very low | 44.9 | Very low | 229 Ų | 229 | 157.5 Ų | 157.5 | 100% | 1.128 | 84% | 0.835 | S | S | * | * | 0 | 83.2 | 0 | -74.7 | 154.9 | 143.6 | 0 | 0 | 105.8 | |||||
| 2 | N | 38.3 | Very low | 45.6 | Very low | 167 Ų | 167 | 157.8 Ų | 157.8 | 89% | 0.893 | 83% | 0.828 | S | S | * | * | 64.3 | 117.5 | 98.3 | -62.4 | -9.2 | 0 | 0 | 0 | 109.6 | |||||
| 3 | G | 41.8 | Very low | 46.2 | Very low | 64 Ų | 64 | 159.3 Ų | 159.3 | 66% | 0.66 | 84% | 0.836 | S | S | * | * | cis | 152.9 | 114.8 | 10.8 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 4 | E | 48.3 | Very low | 46.3 | Very low | 177 Ų | 177 | 162.9 Ų | 162.9 | 83% | 0.827 | 84% | 0.835 | S | S | * | * | trans | 56.4 | 108.2 | 134.9 | -27.8 | -167.4 | 154 | 0 | 0 | 118 | Q6 | E4-Q6 PolarHBondContact O-N 2.73Š| ||
| 5 | E | 52.9 | Low | 46.4 | Very low | 203 Ų | 203 | 165.3 Ų | 165.3 | 95% | 0.949 | 84% | 0.837 | S | S | * | * | trans | -52.4 | 105 | 161.8 | -78.4 | 173.6 | 97.1 | 0 | 0 | 110.6 | Y7 | E5-Y7 VanDerWaalsContact C-N 3.29Å; E5-Y7 PolarHBondContact O-N 2.9Å | ||
| 6 | Q | 48 | Very low | 46.3 | Very low | 170 Ų | 170 | 162.9 Ų | 162.9 | 79% | 0.794 | 83% | 0.827 | S | S | * | * | trans | -74.2 | 83.3 | 171.4 | -78.3 | -89.8 | -28.2 | 0 | 0 | 110 | E4 Y8 | E4-Q6 PolarHBondContact O-N 2.73Å; Q6-Y8 PolarHBondContact O-N 3.41Å | ||
| 7 | Y | 48.9 | Very low | 46.4 | Very low | 201 Ų | 201 | 159.8 Ų | 159.8 | 79% | 0.788 | 82% | 0.82 | S | S | * | * | trans | -65 | 98.7 | 150.9 | -161.2 | -90.9 | 0 | 0 | 0 | 107.5 | E5 | E5-Y7 VanDerWaalsContact C-N 3.29Å; E5-Y7 PolarHBondContact O-N 2.9Å | ||
| 8 | Y | 39.6 | Very low | 46 | Very low | 202 Ų | 202 | 158 Ų | 158 | 79% | 0.792 | 82% | 0.823 | S | S | * | * | trans | 173.6 | 139.4 | 147.3 | -103.8 | -73 | 0 | 0 | 0 | 113.5 | Q6 | Q6-Y8 PolarHBondContact O-N 3.41Š| ||
| 9 | A | 39.7 | Very low | 46.2 | Very low | 92 Ų | 92 | 154.6 Ų | 154.6 | 76% | 0.76 | 82% | 0.82 | S | S | * | * | trans | 90.7 | 135.9 | 133.5 | 0 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 10 | A | 45.1 | Very low | 46 | Very low | 93 Ų | 93 | 156.5 Ų | 156.5 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | trans | 94.5 | 58.1 | 154.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | Q12 | A10-Q12 VanDerWaalsContact C-N 3.29Å; A10-Q12 PolarHBondContact O-N 3.19Å; A10-Q12 VanDerWaalsContact O-N 3.11Å | ||
| 11 | T | 51.3 | Low | 46.1 | Very low | 135 Ų | 135 | 158.3 Ų | 158.3 | 83% | 0.828 | 83% | 0.825 | S | S | * | * | trans | -63.3 | 87.5 | 137.4 | 40 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 12 | Q | 53.1 | Low | 46.4 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 75% | 0.748 | 82% | 0.816 | S | S | * | * | trans | 178.4 | 98.5 | 158.4 | -83.2 | -38.8 | -52.2 | 0 | 0 | 108.8 | A10 | A10-Q12 VanDerWaalsContact C-N 3.29Å; A10-Q12 PolarHBondContact O-N 3.19Å; A10-Q12 VanDerWaalsContact O-N 3.11Å | ||
| 13 | L | 53.3 | Low | 47.2 | Very low | 178 Ų | 178 | 154 Ų | 154 | 93% | 0.932 | 80% | 0.803 | S | S | * | * | trans | 178.3 | 55.5 | 152.8 | -101.3 | 153.6 | 0 | 0 | 0 | 114.6 | ||||
| 14 | Y | 48.6 | Very low | 47.6 | Very low | 209 Ų | 209 | 157.3 Ų | 157.3 | 82% | 0.82 | 81% | 0.812 | S | S | * | * | trans | -149.4 | 82.9 | 150.7 | -149.3 | -101.1 | 0 | 0 | 0 | 110.4 | ||||
| 15 | K | 46.5 | Very low | 47.8 | Very low | 200 Ų | 200 | 153.2 Ų | 153.2 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | -140.6 | 78.1 | 167.5 | -140.5 | 167.3 | -174.7 | -177.9 | 0 | 107.3 | P17 | K15-P17 WeakPolarHBondContact O-CD 3.44Š| ||
| 16 | D | 45.4 | Very low | 47.7 | Very low | 126 Ų | 126 | 149.5 Ų | 149.5 | 67% | 0.674 | 80% | 0.803 | S | S | * | * | trans | -64.8 | 119 | 161 | -112.9 | -62.2 | 0 | 0 | 0 | 107.8 | C18 | D16-C18 PolarHBondContact O-N 2.83Å; D16-C18 VanDerWaalsContact O-N 3.16Å | ||
| 17 | P | 48.8 | Very low | 47.5 | Very low | 110 Ų | 110 | 150.5 Ų | 150.5 | 71% | 0.714 | 81% | 0.807 | S | S | * | * | trans | -72.8 | 107.7 | 172.4 | 27.9 | -28.4 | 0 | 0 | 0 | 108.3 | K15 A19 | K15-P17 WeakPolarHBondContact O-CD 3.44Å; P17-A19 PolarHBondContact O-N 2.85Å | ||
| 18 | C | 39.3 | Very low | 47.4 | Very low | 128 Ų | 128 | 150.4 Ų | 150.4 | 87% | 0.865 | 81% | 0.811 | S | S | * | * | trans | -59.1 | 106.7 | 170.3 | -156 | 0 | 0 | 0 | 0 | 108.8 | D16 F20 | D16-C18 PolarHBondContact O-N 2.83Å; D16-C18 VanDerWaalsContact O-N 3.16Å; C18-F20 PolarHBondContact O-N 3.46Å | ||
| 19 | A | 48.7 | Very low | 48 | Very low | 93 Ų | 93 | 145.3 Ų | 145.3 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | -74.2 | 67.9 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | P17 | P17-A19 PolarHBondContact O-N 2.85Š| ||
| 20 | F | 41.9 | Very low | 48.8 | Very low | 192 Ų | 192 | 145.4 Ų | 145.4 | 84% | 0.842 | 81% | 0.806 | S | S | * | * | trans | -136.6 | 75.4 | 160.5 | -113.1 | -87.4 | 0 | 0 | 0 | 109.3 | C18 R22 | C18-F20 PolarHBondContact O-N 3.46Å; F20-R22 PolarHBondContact O-N 3.32Å; F20-R22 VanDerWaalsContact O-N 3.08Å | ||
| 21 | Q | 48.4 | Very low | 49.3 | Very low | 195 Ų | 195 | 145 Ų | 145 | 91% | 0.911 | 80% | 0.798 | S | S | * | * | trans | -58.7 | 105.7 | 169.5 | -143.4 | 151 | 66.9 | 0 | 0 | 107.8 | G23 | Q21-G23 PolarHBondContact O-N 3.48Š| ||
| 22 | R | 46.2 | Very low | 49.8 | Very low | 247 Ų | 247 | 144.2 Ų | 144.2 | 93% | 0.932 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 120 | 166.8 | -82.3 | -172.6 | 179.6 | 128.6 | -0.6 | 107.5 | F20 | F20-R22 PolarHBondContact O-N 3.32Å; F20-R22 VanDerWaalsContact O-N 3.08Å |
| 23 | G | 56.2 | Low | 50.1 | Low | 60 Ų | 60 | 142.3 Ų | 142.3 | 62% | 0.619 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 166.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q21 | Q21-G23 PolarHBondContact O-N 3.48Š|
| 24 | P | 50.4 | Low | 50.1 | Low | 132 Ų | 132 | 137.9 Ų | 137.9 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 138.9 | -179.4 | 26.6 | -32.6 | 0 | 0 | 0 | 110.8 | ||
| 25 | A | 50.4 | Low | 50.5 | Low | 92 Ų | 92 | 134 Ų | 134 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 26 | P | 51.2 | Low | 50.9 | Low | 125 Ų | 125 | 131.2 Ų | 131.2 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 139.8 | 161.8 | 30.5 | -30.1 | 0 | 0 | 0 | 108.6 | F28 | P26-F28 PolarHBondContact O-N 3.06Š|
| 27 | E | 44 | Very low | 51.2 | Low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -46.7 | 130.9 | -175.3 | -65.2 | 168.2 | 120.1 | 0 | 0 | 112.5 | S29 | E27-S29 PolarHBondContact O-N 2.64Š|
| 28 | F | 48 | Very low | 51.6 | Low | 198 Ų | 198 | 136.1 Ų | 136.1 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | -67.5 | 92.3 | 174.7 | -171 | -94.7 | 0 | 0 | 0 | 108.8 | P26 A30 | P26-F28 PolarHBondContact O-N 3.06Å; F28-A30 PolarHBondContact O-N 3.2Å; F28-A30 VanDerWaalsContact O-N 3.13Å | ||
| 29 | S | 51.6 | Low | 51.9 | Low | 96 Ų | 96 | 132.4 Ų | 132.4 | 67% | 0.671 | 77% | 0.769 | S | S | * | * | trans | -61.6 | 111.7 | 166.1 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | E27 S31 | E27-S29 PolarHBondContact O-N 2.64Å; S29-S31 PolarHBondContact O-N 3.46Å | ||
| 30 | A | 56.1 | Low | 51.9 | Low | 93 Ų | 93 | 138.9 Ų | 138.9 | 77% | 0.769 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -71.9 | 72.3 | 170.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F28 | F28-A30 PolarHBondContact O-N 3.2Å; F28-A30 VanDerWaalsContact O-N 3.13Å |
| 31 | S | 55.6 | Low | 52.5 | Low | 86 Ų | 86 | 138 Ų | 138 | 60% | 0.601 | 77% | 0.772 | S | S | * | * | trans | -155.1 | 107.4 | 165.7 | -156.5 | 0 | 0 | 0 | 0 | 108.8 | S29 | S29-S31 PolarHBondContact O-N 3.46Š| ||
| 32 | P | 62.5 | Low | 53.3 | Low | 118 Ų | 118 | 133.4 Ų | 133.4 | 77% | 0.766 | 76% | 0.759 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 133.2 | 175.8 | 25.9 | -31.1 | 0 | 0 | 0 | 108.2 | A34 | P32-A34 PolarHBondContact O-N 2.91Š|
| 33 | P | 58.1 | Low | 54.6 | Low | 119 Ų | 119 | 127.1 Ų | 127.1 | 77% | 0.773 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -58.7 | 128.3 | 175.4 | 24.4 | -31.9 | 0 | 0 | 0 | 108.2 | C35 | P33-C35 PolarHBondContact O-N 2.69Å; P33-C35 VanDerWaalsContact O-N 3.17Å |
| 34 | A | 55 | Low | 55.4 | Low | 85 Ų | 85 | 129.9 Ų | 129.9 | 70% | 0.702 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -47.2 | 126.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 107.6 | P32 L36 | P32-A34 PolarHBondContact O-N 2.91Å; A34-L36 VanDerWaalsContact C-N 3.29Å; A34-L36 PolarHBondContact O-N 3.16Å |
| 35 | C | 55.9 | Low | 56.7 | Low | 128 Ų | 128 | 129.2 Ų | 129.2 | 87% | 0.865 | 75% | 0.753 | S | S | * | * | trans | -57.1 | 97.8 | 177 | -61 | 0 | 0 | 0 | 0 | 108.1 | P33 Y37 | P33-C35 PolarHBondContact O-N 2.69Å; P33-C35 VanDerWaalsContact O-N 3.17Å; C35-Y37 PolarHBondContact O-N 3.48Å | ||
| 36 | L | 55.1 | Low | 57.8 | Low | 141 Ų | 141 | 130.4 Ų | 130.4 | 74% | 0.738 | 75% | 0.753 | S | S | * | * | trans | -66.9 | 88.7 | 165.9 | -70.3 | 178.6 | 0 | 0 | 0 | 105.7 | A34 M38 | A34-L36 VanDerWaalsContact C-N 3.29Å; A34-L36 PolarHBondContact O-N 3.16Å; L36-M38 HydrophobicContact CB-CE 4.17Å; L36-M38 HydrophobicContact CB-CG 4.46Å; L36-M38 HydrophobicContact CD1-CE 4.44Å; L36-M38 HydrophobicContact CD2-CE 4.4Å; L36-M38 PolarHBondContact O-N 3.4Å | ||
| 37 | Y | 50.8 | Low | 58.9 | Low | 193 Ų | 193 | 129.6 Ų | 129.6 | 76% | 0.757 | 75% | 0.748 | S | S | * | * | trans | -61.7 | 79 | 156.2 | -172.4 | -98.4 | 0 | 0 | 0 | 106.3 | C35 G39 | C35-Y37 PolarHBondContact O-N 3.48Å; Y37-G39 PolarHBondContact O-N 2.81Å | ||
| 38 | M | 57.7 | Low | 60.3 | Low | 146 Ų | 146 | 125.5 Ų | 125.5 | 72% | 0.719 | 74% | 0.738 | S | S | * | * | trans | -57.9 | 109.4 | 165.3 | -76.3 | -72.7 | 103.3 | 0 | 0 | 105.7 | L36 | L36-M38 HydrophobicContact CB-CE 4.17Å; L36-M38 HydrophobicContact CB-CG 4.46Å; L36-M38 HydrophobicContact CD1-CE 4.44Å; L36-M38 HydrophobicContact CD2-CE 4.4Å; L36-M38 PolarHBondContact O-N 3.4Å | ||
| 39 | G | 45.2 | Very low | 60.9 | Low | 50 Ų | 50 | 122.1 Ų | 122.1 | 52% | 0.515 | 74% | 0.735 | S | S | . | * | trans | -50.3 | 147.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111 | Y37 Q41 | Y37-G39 PolarHBondContact O-N 2.81Å; G39-Q41 PolarHBondContact O-N 3.38Å | ||
| 40 | R | 48.7 | Very low | 61.3 | Low | 229 Ų | 229 | 126.8 Ų | 126.8 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | trans | -49.7 | 103.8 | 163.8 | -83.9 | -172.9 | 161.3 | -103.2 | 1.4 | 109 | P42 | R40-P42 WeakPolarHBondContact O-CD 2.98Š| ||
| 41 | Q | 56.2 | Low | 61 | Low | 173 Ų | 173 | 128.2 Ų | 128.2 | 81% | 0.808 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -62.5 | 122.6 | 157 | -77.1 | -74.7 | -15.5 | 0 | 0 | 107 | G39 | G39-Q41 PolarHBondContact O-N 3.38Š|
| 42 | P | 65.4 | Low | 60.8 | Low | 100 Ų | 100 | 128 Ų | 128 | 65% | 0.649 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 147.7 | 169.1 | 26.3 | -30.7 | 0 | 0 | 0 | 109.4 | R40 | R40-P42 WeakPolarHBondContact O-CD 2.98Š|
| 43 | P | 72.6 | Confident | 59.6 | Low | 115 Ų | 115 | 126.7 Ų | 126.7 | 75% | 0.747 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -60.5 | 146.9 | 175.9 | 26.7 | -33.6 | 0 | 0 | 0 | 110.5 | ||
| 44 | P | 73.8 | Confident | 58.8 | Low | 118 Ų | 118 | 129.3 Ų | 129.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 146.9 | 177.6 | 26.5 | -33.8 | 0 | 0 | 0 | 111 | ||
| 45 | P | 76.4 | Confident | 57.8 | Low | 117 Ų | 117 | 128.8 Ų | 128.8 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -65.3 | 153.2 | 176.4 | 27.9 | -34 | 0 | 0 | 0 | 111.5 | ||
| 46 | P | 73.8 | Confident | 56.9 | Low | 118 Ų | 118 | 127.3 Ų | 127.3 | 77% | 0.766 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 147.8 | 174.7 | 27.6 | -33.8 | 0 | 0 | 0 | 111 | ||
| 47 | P | 73.9 | Confident | 56 | Low | 108 Ų | 108 | 128.4 Ų | 128.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 149.4 | 178.3 | 27.8 | -34.1 | 0 | 0 | 0 | 111.3 | ||
| 48 | P | 74.5 | Confident | 55.4 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 68% | 0.682 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 153.4 | 176.7 | 28.6 | -34 | 0 | 0 | 0 | 111.1 | F50 | P48-F50 PolarHBondContact O-N 2.8Š|
| 49 | P | 60.1 | Low | 54.5 | Low | 126 Ų | 126 | 127.3 Ų | 127.3 | 82% | 0.818 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.6 | 169.7 | 27.5 | -31.6 | 0 | 0 | 0 | 108.7 | ||
| 50 | F | 59.4 | Low | 54.1 | Low | 194 Ų | 194 | 129 Ų | 129 | 85% | 0.851 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -57 | 128.9 | 176.6 | -69.4 | -85.3 | 0 | 0 | 0 | 110.3 | P48 G52 | P48-F50 PolarHBondContact O-N 2.8Å; F50-G52 PolarHBondContact O-N 3.35Å |
| 51 | P | 50.3 | Low | 53.8 | Low | 124 Ų | 124 | 123.4 Ų | 123.4 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 118.4 | 163.8 | 27.6 | -27.2 | 0 | 0 | 0 | 108.1 | A53 | P51-A53 PolarHBondContact O-N 3.27Š|
| 52 | G | 51.1 | Low | 54.2 | Low | 80 Ų | 80 | 120.4 Ų | 120.4 | 83% | 0.825 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 127.8 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111 | F50 | F50-G52 PolarHBondContact O-N 3.35Š|
| 53 | A | 38.3 | Very low | 53.8 | Low | 92 Ų | 92 | 121.2 Ų | 121.2 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | trans | -172.3 | 144.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | P51 | P51-A53 PolarHBondContact O-N 3.27Š| ||
| 54 | L | 40.4 | Very low | 52.2 | Low | 174 Ų | 174 | 122.5 Ų | 122.5 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | cis | -168.7 | 146.8 | -24.6 | -120.8 | 172.6 | 0 | 0 | 0 | 103.9 | ||||
| 55 | G | 34.1 | Very low | 50.6 | Low | 73 Ų | 73 | 125 Ų | 125 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | trans | 93.9 | 136.9 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 56 | A | 36.7 | Very low | 49.2 | Very low | 98 Ų | 98 | 124.4 Ų | 124.4 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | cis | -168.5 | 136.5 | 5.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 57 | L | 37 | Very low | 48.1 | Very low | 163 Ų | 163 | 124.5 Ų | 124.5 | 85% | 0.853 | 79% | 0.787 | S | S | * | * | trans | 177.5 | 117.1 | 132.7 | -152.1 | 79.1 | 0 | 0 | 0 | 110.3 | ||||
| 58 | E | 38.1 | Very low | 46.7 | Very low | 146 Ų | 146 | 130 Ų | 130 | 68% | 0.682 | 80% | 0.795 | S | S | * | * | trans | 48.8 | 131.9 | 147.6 | -79.1 | -138.8 | 96.7 | 0 | 0 | 125.2 | ||||
| 59 | Q | 39 | Very low | 45.3 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 88.6 | 106.1 | 136.6 | -81 | 172.3 | 5 | 0 | 0 | 120.8 | ||||
| 60 | G | 36.6 | Very low | 45.1 | Very low | 85 Ų | 85 | 132.9 Ų | 132.9 | 88% | 0.876 | 80% | 0.797 | S | S | * | * | trans | 139.8 | 98.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 61 | S | 42.5 | Very low | 44.6 | Very low | 113 Ų | 113 | 128 Ų | 128 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -114.7 | 174.9 | 168.7 | -163.7 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 62 | P | 63.9 | Low | 44.6 | Very low | 109 Ų | 109 | 128.3 Ų | 128.3 | 71% | 0.708 | 79% | 0.787 | S | S | * | * | cis | -128.2 | -159.6 | -21.7 | 13.9 | 15.2 | 0 | 0 | 0 | 110.1 | ||||
| 63 | P | 57.4 | Low | 44 | Very low | 118 Ų | 118 | 132.9 Ų | 132.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | cis | -140.6 | 158.6 | 14.2 | 40.5 | -18.6 | 0 | 0 | 0 | 119.7 | ||||
| 64 | D | 38.8 | Very low | 44.3 | Very low | 142 Ų | 142 | 133.1 Ų | 133.1 | 76% | 0.759 | 79% | 0.794 | S | S | * | * | trans | 63.7 | 102.2 | 131.1 | -160.3 | 25.7 | 0 | 0 | 0 | 119.6 | ||||
| 65 | I | 39.6 | Very low | 44.4 | Very low | 171 Ų | 171 | 132 Ų | 132 | 88% | 0.877 | 79% | 0.788 | S | S | * | * | -160.6 | 130 | 119.1 | 31.2 | 167.5 | 0 | 0 | 0 | 110.9 | |||||
| 66 | S | 47.3 | Very low | 44.7 | Very low | 103 Ų | 103 | 134.7 Ų | 134.7 | 72% | 0.72 | 79% | 0.786 | S | S | * | * | trans | -55.6 | 154.2 | -178.3 | -173.5 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 67 | P | 51.3 | Low | 45.4 | Very low | 120 Ų | 120 | 134.9 Ų | 134.9 | 78% | 0.779 | 78% | 0.779 | S | S | * | * | trans | -79.7 | 134.7 | 174.7 | 33.2 | -33.4 | 0 | 0 | 0 | 111.1 | ||||
| 68 | Y | 43.3 | Very low | 45.2 | Very low | 225 Ų | 225 | 131.2 Ų | 131.2 | 88% | 0.882 | 77% | 0.772 | S | S | * | * | trans | -115.1 | 115.6 | 163.1 | -142.8 | -95.2 | 0 | 0 | 0 | 110.5 | ||||
| 69 | E | 46.1 | Very low | 45.2 | Very low | 161 Ų | 161 | 131.1 Ų | 131.1 | 75% | 0.752 | 78% | 0.781 | S | S | * | * | trans | -65.8 | 138.3 | 173.1 | -146 | -177.7 | 125.3 | 0 | 0 | 110.3 | ||||
| 70 | V | 56.4 | Low | 45.3 | Very low | 130 Ų | 130 | 126.7 Ų | 126.7 | 79% | 0.788 | 77% | 0.773 | S | S | * | * | trans | -133.2 | 110 | 162 | -177.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 71 | P | 49.2 | Very low | 45.6 | Very low | 90 Ų | 90 | 130.8 Ų | 130.8 | 58% | 0.584 | 77% | 0.769 | S | S | * | * | trans | -69.9 | 149.3 | 171.7 | -21.1 | 33.7 | 0 | 0 | 0 | 112.8 | ||||
| 72 | P | 50.2 | Low | 45.5 | Very low | 131 Ų | 131 | 132.6 Ų | 132.6 | 85% | 0.851 | 77% | 0.769 | S | S | * | * | trans | -81.2 | 135.3 | 175.5 | 33.6 | -30.3 | 0 | 0 | 0 | 110.1 | ||||
| 73 | L | 38.7 | Very low | 44.5 | Very low | 176 Ų | 176 | 134.5 Ų | 134.5 | 92% | 0.921 | 77% | 0.769 | S | S | * | * | trans | -106.5 | 132.3 | 173.4 | -90.4 | 165.2 | 0 | 0 | 0 | 111.3 | ||||
| 74 | A | 43.3 | Very low | 43.8 | Very low | 98 Ų | 98 | 137.1 Ų | 137.1 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 93 | 92.6 | 158.8 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 75 | D | 42.3 | Very low | 43.9 | Very low | 149 Ų | 149 | 137.5 Ų | 137.5 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | trans | -47 | 149.4 | 138.5 | -141.5 | -131.5 | 0 | 0 | 0 | 110.4 | ||||
| 76 | D | 40 | Very low | 44.3 | Very low | 130 Ų | 130 | 137 Ų | 137 | 70% | 0.695 | 77% | 0.765 | S | S | * | * | cis | -173.1 | -171 | 42.9 | -163.2 | -138.1 | 0 | 0 | 0 | 107.9 | ||||
| 77 | P | 52.3 | Low | 44.3 | Very low | 102 Ų | 102 | 138 Ų | 138 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | -125.7 | 164.7 | -95.1 | 41 | -23.3 | 0 | 0 | 0 | 114.6 | |||||
| 78 | A | 34 | Very low | 43.7 | Very low | 87 Ų | 87 | 136.9 Ų | 136.9 | 72% | 0.719 | 77% | 0.77 | S | S | * | * | trans | 155.1 | 110.7 | 131.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 79 | V | 38.1 | Very low | 43.7 | Very low | 144 Ų | 144 | 134.5 Ų | 134.5 | 87% | 0.873 | 77% | 0.767 | S | S | * | * | trans | 58.8 | 124.1 | 130.4 | -169.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 80 | A | 40.7 | Very low | 43.6 | Very low | 76 Ų | 76 | 135 Ų | 135 | 63% | 0.628 | 77% | 0.774 | S | S | * | * | cis | -164.7 | 141 | 13.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 81 | H | 42.9 | Very low | 42.8 | Very low | 172 Ų | 172 | 133 Ų | 133 | 80% | 0.796 | 77% | 0.772 | S | S | * | * | trans | 26.3 | 105.7 | 133.4 | -76.2 | 75.5 | 0 | 0 | 0 | 119.9 | ||||
| 82 | L | 39.9 | Very low | 42.6 | Very low | 150 Ų | 150 | 136.1 Ų | 136.1 | 79% | 0.785 | 78% | 0.783 | S | S | * | * | trans | -101.4 | 81.6 | 160.7 | -141.7 | 158.7 | 0 | 0 | 0 | 109.8 | H84 | L82-H84 VanDerWaalsContact CD2-CE1 3.46Å; L82-H84 WeakPolarHBondContact CD2-CE1 2.9Å; L82-H84 WeakPolarHBondContact CD2-ND1 3.43Å | ||
| 83 | H | 41.9 | Very low | 42.5 | Very low | 150 Ų | 150 | 135 Ų | 135 | 69% | 0.694 | 78% | 0.775 | S | S | * | * | trans | -93.6 | 96.6 | 177.6 | -139.5 | -109.7 | 0 | 0 | 0 | 109 | H85 | H83-H85 PolarHBondContact O-N 2.85Å; H83-H85 PolarHBondContact O-ND1 3Å | ||
| 84 | H | 43.3 | Very low | 43 | Very low | 172 Ų | 172 | 133.8 Ų | 133.8 | 80% | 0.796 | 77% | 0.765 | S | S | * | * | trans | -80.1 | 100.3 | 171.2 | -95.3 | 80.1 | 0 | 0 | 0 | 109.9 | L82 | L82-H84 VanDerWaalsContact CD2-CE1 3.46Å; L82-H84 WeakPolarHBondContact CD2-CE1 2.9Å; L82-H84 WeakPolarHBondContact CD2-ND1 3.43Å | ||
| 85 | H | 41.6 | Very low | 43.3 | Very low | 150 Ų | 150 | 135 Ų | 135 | 69% | 0.694 | 76% | 0.764 | S | S | * | * | trans | -84.1 | 138 | 174.2 | 46 | -77.7 | 0 | 0 | 0 | 110 | H83 | H83-H85 PolarHBondContact O-N 2.85Å; H83-H85 PolarHBondContact O-ND1 3Å | ||
| 86 | L | 47.6 | Very low | 43.7 | Very low | 161 Ų | 161 | 133.7 Ų | 133.7 | 84% | 0.843 | 76% | 0.764 | S | S | * | * | trans | -60.5 | 148.5 | 161.7 | -87.2 | 90.5 | 0 | 0 | 0 | 109.9 | ||||
| 87 | P | 46.8 | Very low | 44 | Very low | 124 Ų | 124 | 133.5 Ų | 133.5 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | trans | -96 | 114.7 | 154.2 | 31.4 | -22.2 | 0 | 0 | 0 | 109.9 | ||||
| 88 | A | 38.3 | Very low | 43.5 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | trans | -74.3 | 150.9 | 156 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 89 | Q | 45 | Very low | 44.4 | Very low | 175 Ų | 175 | 133.5 Ų | 133.5 | 82% | 0.818 | 78% | 0.779 | S | S | * | * | trans | -39.4 | 142.2 | 174.7 | -56.2 | -86.7 | 19 | 0 | 0 | 114.6 | ||||
| 90 | L | 43.5 | Very low | 44.3 | Very low | 171 Ų | 171 | 136.3 Ų | 136.3 | 90% | 0.895 | 78% | 0.78 | S | S | * | * | 170.3 | 146.9 | 116.9 | -89.9 | 167.4 | 0 | 0 | 0 | 112.4 | |||||
| 91 | A | 38.4 | Very low | 45 | Very low | 90 Ų | 90 | 138.5 Ų | 138.5 | 74% | 0.744 | 79% | 0.787 | S | S | * | * | trans | 84.6 | 111.2 | 159.1 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 92 | L | 45.3 | Very low | 44.9 | Very low | 155 Ų | 155 | 139.9 Ų | 139.9 | 81% | 0.812 | 79% | 0.794 | S | S | * | * | trans | -57.9 | 142.9 | 160.7 | -153.3 | 82.3 | 0 | 0 | 0 | 110.8 | ||||
| 93 | P | 49.1 | Very low | 44.8 | Very low | 108 Ų | 108 | 135.9 Ų | 135.9 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -131.6 | 143.3 | 136.8 | 33.3 | -19.3 | 0 | 0 | 0 | 113.2 | ||||
| 94 | H | 48.4 | Very low | 44.8 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 69% | 0.694 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -47.1 | 151.8 | 175.1 | -15.1 | 82.4 | 0 | 0 | 0 | 114.2 | ||
| 95 | P | 50.1 | Low | 45 | Very low | 124 Ų | 124 | 133.4 Ų | 133.4 | 81% | 0.805 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 135.9 | 171.7 | 34.1 | -29.4 | 0 | 0 | 0 | 110.9 | ||
| 96 | P | 50.8 | Low | 45.3 | Very low | 121 Ų | 121 | 131.6 Ų | 131.6 | 79% | 0.786 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92 | 126.3 | 151.3 | 31.2 | -26 | 0 | 0 | 0 | 109.7 | ||
| 97 | S | 46.8 | Very low | 45.3 | Very low | 126 Ų | 126 | 127.3 Ų | 127.3 | 88% | 0.881 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -49.5 | 127.9 | 161.1 | 10.9 | 0 | 0 | 0 | 0 | 111 | ||
| 98 | G | 40 | Very low | 44.9 | Very low | 74 Ų | 74 | 127.6 Ų | 127.6 | 76% | 0.763 | 79% | 0.79 | S | S | * | * | trans | -119.4 | 135.9 | 165.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 99 | P | 53.5 | Low | 45.4 | Very low | 115 Ų | 115 | 130.8 Ų | 130.8 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | trans | -104.1 | 144.9 | 167.3 | 36.7 | -26.8 | 0 | 0 | 0 | 112 | ||||
| 100 | F | 37 | Very low | 45.3 | Very low | 203 Ų | 203 | 130.4 Ų | 130.4 | 89% | 0.89 | 79% | 0.791 | S | S | * | * | trans | 79.9 | 127.7 | 164.2 | -85.9 | -89.3 | 0 | 0 | 0 | 121 | ||||
| 101 | P | 55.2 | Low | 45.3 | Very low | 121 Ų | 121 | 130 Ų | 130 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | trans | -103.9 | 144.2 | 163.9 | 37 | -26.1 | 0 | 0 | 0 | 112 | ||||
| 102 | E | 39.8 | Very low | 45.8 | Very low | 201 Ų | 201 | 130.9 Ų | 130.9 | 94% | 0.939 | 78% | 0.782 | S | S | * | * | trans | -140.7 | 133.7 | 167.6 | -166.2 | 159 | 134 | 0 | 0 | 110.6 | ||||
| 103 | G | 38.3 | Very low | 46 | Very low | 67 Ų | 67 | 129.6 Ų | 129.6 | 69% | 0.691 | 78% | 0.777 | S | S | * | * | trans | 101.7 | 99.6 | 170.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 104 | A | 42.9 | Very low | 46.4 | Very low | 92 Ų | 92 | 136.2 Ų | 136.2 | 76% | 0.76 | 79% | 0.787 | S | S | * | * | 69.1 | 111.9 | 84.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | |||||
| 105 | E | 46.8 | Very low | 47.1 | Very low | 177 Ų | 177 | 133.7 Ų | 133.7 | 83% | 0.827 | 78% | 0.782 | S | S | * | * | -179.7 | -177.5 | 52.3 | -104.9 | -45.1 | 88.9 | 0 | 0 | 109 | |||||
| 106 | P | 48.7 | Very low | 47.8 | Very low | 112 Ų | 112 | 136.8 Ų | 136.8 | 73% | 0.727 | 79% | 0.786 | S | S | * | * | -112.2 | 168.4 | -127.9 | 42.9 | -36.5 | 0 | 0 | 0 | 116.9 | |||||
| 107 | G | 46.5 | Very low | 49.2 | Very low | 72 Ų | 72 | 133.1 Ų | 133.1 | 74% | 0.742 | 76% | 0.76 | S | S | * | * | trans | 98.4 | 74.1 | 139.3 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 108 | V | 39.4 | Very low | 51 | Low | 129 Ų | 129 | 131.9 Ų | 131.9 | 78% | 0.782 | 75% | 0.749 | S | S | * | * | trans | -134.3 | 118 | 144.5 | -178.9 | 0 | 0 | 0 | 0 | 107.5 | E110 | V108-E110 VanDerWaalsContact C-N 3.27Å; V108-E110 HydrophobicContact CG1-CG 4.37Å; V108-E110 PolarHBondContact O-N 2.9Å | ||
| 109 | L | 46.9 | Very low | 53 | Low | 164 Ų | 164 | 133.7 Ų | 133.7 | 86% | 0.859 | 74% | 0.736 | S | S | * | * | trans | -64.8 | 88.2 | 170.2 | -166.9 | -177.8 | 0 | 0 | 0 | 107.5 | ||||
| 110 | E | 43.9 | Very low | 54.2 | Low | 167 Ų | 167 | 132.8 Ų | 132.8 | 78% | 0.78 | 73% | 0.73 | S | S | * | * | trans | -95.2 | 116.1 | 169.6 | -101 | -93.9 | 103.6 | 0 | 0 | 108.5 | V108 | V108-E110 VanDerWaalsContact C-N 3.27Å; V108-E110 HydrophobicContact CG1-CG 4.37Å; V108-E110 PolarHBondContact O-N 2.9Å | ||
| 111 | E | 43.3 | Very low | 56.3 | Low | 162 Ų | 162 | 132 Ų | 132 | 76% | 0.757 | 72% | 0.721 | S | S | * | * | trans | -30.4 | 120.5 | 172.6 | -101.5 | -97.3 | 110.1 | 0 | 0 | 113.9 | N113 | E111-N113 PolarHBondContact O-N 3.46Š| ||
| 112 | P | 47.9 | Very low | 57.6 | Low | 108 Ų | 108 | 129.2 Ų | 129.2 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -75.7 | 125.4 | 175.5 | 29.7 | -28.4 | 0 | 0 | 0 | 109.4 | ||
| 113 | N | 49.7 | Very low | 59.2 | Low | 129 Ų | 129 | 126.3 Ų | 126.3 | 69% | 0.69 | 68% | 0.683 | S | S | * | * | trans | 100.4 | 58 | 140.5 | -146.8 | 11.4 | 0 | 0 | 0 | 118 | E111 V115 | E111-N113 PolarHBondContact O-N 3.46Å; N113-V115 PolarHBondContact O-N 3.28Å; N113-V115 WeakPolarHBondContact OD1-CG2 3.31Å | ||
| 114 | R | 58.7 | Low | 60.5 | Low | 246 Ų | 246 | 127 Ų | 127 | 93% | 0.928 | 68% | 0.677 | S | S | * | * | trans | -86.1 | 84.6 | 140.8 | -76.1 | -167.6 | 171.3 | 178.6 | 1.1 | 108.8 | Q116 | R114-Q116 PolarHBondContact O-N 2.71Š| ||
| 115 | V | 62.1 | Low | 61.2 | Low | 97 Ų | 97 | 127.7 Ų | 127.7 | 59% | 0.588 | 67% | 0.672 | S | S | * | * | trans | -51.1 | 111.7 | 164.6 | -169.9 | 0 | 0 | 0 | 0 | 106.8 | N113 L117 | N113-V115 PolarHBondContact O-N 3.28Å; N113-V115 WeakPolarHBondContact OD1-CG2 3.31Å; V115-L117 VanDerWaalsContact C-N 3.27Å; V115-L117 HydrophobicContact CG1-CD2 4.31Å; V115-L117 PolarHBondContact O-N 3.21Å | ||
| 116 | Q | 66 | Low | 61.6 | Low | 189 Ų | 189 | 125.4 Ų | 125.4 | 88% | 0.883 | 66% | 0.659 | S | S | * | * | trans | -66.4 | 95.9 | 171.1 | -67.6 | -172.1 | 42.9 | 0 | 0 | 106.5 | R114 | R114-Q116 PolarHBondContact O-N 2.71Š| ||
| 117 | L | 79.9 | Confident | 61.9 | Low | 45 Ų | 45 | 122.6 Ų | 122.6 | 24% | 0.236 | 65% | 0.645 | C | S | . | * | trans | -62.8 | 135.1 | -179 | -68.1 | 171.2 | 0 | 0 | 0 | 108.8 | V115 F119 M122 | V115-L117 VanDerWaalsContact C-N 3.27Å; V115-L117 HydrophobicContact CG1-CD2 4.31Å; V115-L117 PolarHBondContact O-N 3.21Å; L117-F119 PolarHBondContact O-N 3.36Å; L117-M122 HydrophobicContact CB-CB 4.06Å; L117-M122 HydrophobicContact CB-CG 4.37Å; L117-M122 HydrophobicContact CB-SD 4.33Å; L117-M122 HydrophobicContact CD1-CB 4.27Å; L117-M122 HydrophobicContact CD1-CG 4.12Å; L117-M122 WeakPolarHBondContact CD1-O 3.22Å; L117-M122 HydrophobicContact CD2-SD 4.23Å | ||
| 118 | P | 83.4 | Confident | 62.2 | Low | 99 Ų | 99 | 124.8 Ų | 124.8 | 64% | 0.643 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -58.6 | -18.7 | -169 | -27.4 | 33.9 | 0 | 0 | 0 | 115.6 | ||
| 119 | F | 83.6 | Confident | 62.8 | Low | 113 Ų | 113 | 120.9 Ų | 120.9 | 50% | 0.496 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -128.6 | 136.6 | -176.2 | -60 | -72.5 | 0 | 0 | 0 | 113.4 | L117 W121 M122 K123 | L117-F119 PolarHBondContact O-N 3.36Å; F119-W121 VanDerWaalsContact CB-CD1 3.49Å; F119-W121 HydrophobicContact CB-CG 4.29Å; F119-W121 AromaticContact CG-NE1 3.68Å; F119-W121 PolarHBondContact O-N 2.96Å; F119-M122 HydrophobicContact CB-CB 4.43Å; F119-M122 HydrophobicContact CD2-CE 3.87Å; F119-M122 WeakPolarHBondContact O-CA 3.11Å; F119-M122 VanDerWaalsContact O-CB 3.3Å; F119-M122 WeakPolarHBondContact O-CB 3.43Å; F119-M122 PolarHBondContact O-N 3.31Å; F119-K123 PolarHBondContact O-N 3.05Å |
| 120 | P | 78.8 | Confident | 63 | Low | 96 Ų | 96 | 121.5 Ų | 121.5 | 62% | 0.623 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -15.6 | 176.9 | -30.5 | 37.1 | 0 | 0 | 0 | 117.1 | K123 | P120-K123 VanDerWaalsContact CA-CE 3.46Å; P120-K123 HydrophobicContact CB-CD 4.44Å; P120-K123 WeakPolarHBondContact O-CE 3.37Å; P120-K123 WeakPolarHBondContact O-CG 3.2Å |
| 121 | W | 80.9 | Confident | 63.3 | Low | 185 Ų | 185 | 121.8 Ų | 121.8 | 70% | 0.701 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.1 | -22.8 | 172.5 | 62.1 | -95.5 | 0 | 0 | 0 | 112.2 | F119 | F119-W121 VanDerWaalsContact CB-CD1 3.49Å; F119-W121 HydrophobicContact CB-CG 4.29Å; F119-W121 AromaticContact CG-NE1 3.68Å; F119-W121 PolarHBondContact O-N 2.96Å |
| 122 | M | 82.6 | Confident | 63.7 | Low | 63 Ų | 63 | 116.7 Ų | 116.7 | 31% | 0.31 | 60% | 0.598 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -84.3 | -24.3 | -175.6 | -147.9 | -176.2 | -76 | 0 | 0 | 111.7 | L117 F119 S124 | L117-M122 HydrophobicContact CB-CB 4.06Å; L117-M122 HydrophobicContact CB-CG 4.37Å; L117-M122 HydrophobicContact CB-SD 4.33Å; L117-M122 HydrophobicContact CD1-CB 4.27Å; L117-M122 HydrophobicContact CD1-CG 4.12Å; L117-M122 WeakPolarHBondContact CD1-O 3.22Å; L117-M122 HydrophobicContact CD2-SD 4.23Å; F119-M122 HydrophobicContact CB-CB 4.43Å; F119-M122 HydrophobicContact CD2-CE 3.87Å; F119-M122 WeakPolarHBondContact O-CA 3.11Å; F119-M122 VanDerWaalsContact O-CB 3.3Å; F119-M122 WeakPolarHBondContact O-CB 3.43Å; F119-M122 PolarHBondContact O-N 3.31Å; M122-S124 PolarHBondContact O-N 3.44Å |
| 123 | K | 72.3 | Confident | 63.8 | Low | 141 Ų | 141 | 119 Ų | 119 | 61% | 0.613 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | 2.3 | 171.1 | 58.5 | 174.6 | 179.7 | -169.4 | 0 | 115.2 | F119 P120 T125 | F119-K123 PolarHBondContact O-N 3.05Å; P120-K123 VanDerWaalsContact CA-CE 3.46Å; P120-K123 HydrophobicContact CB-CD 4.44Å; P120-K123 WeakPolarHBondContact O-CE 3.37Å; P120-K123 WeakPolarHBondContact O-CG 3.2Å; K123-T125 PolarHBondContact O-N 3.27Å |
| 124 | S | 65.7 | Low | 63.8 | Low | 82 Ų | 82 | 124 Ų | 124 | 57% | 0.573 | 61% | 0.608 | S | S | * | * | trans | -73.3 | 83.5 | 163.7 | -167.5 | 0 | 0 | 0 | 0 | 108.1 | M122 K126 A127 | M122-S124 PolarHBondContact O-N 3.44Å; S124-K126 PolarHBondContact O-N 3.09Å; S124-A127 PolarHBondContact O-N 3.49Å | ||
| 125 | T | 57 | Low | 63.5 | Low | 106 Ų | 106 | 115.3 Ų | 115.3 | 65% | 0.65 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | 61.9 | 172.3 | -55.9 | 0 | 0 | 0 | 0 | 110.1 | K123 H128 | K123-T125 PolarHBondContact O-N 3.27Å; T125-H128 HydrophobicContact CG2-CB 4.36Å |
| 126 | K | 56.4 | Low | 62.9 | Low | 129 Ų | 129 | 115.3 Ų | 115.3 | 56% | 0.561 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.6 | -11.6 | 152 | -166.1 | 172.1 | 178.4 | 67.9 | 0 | 109.9 | S124 H128 | S124-K126 PolarHBondContact O-N 3.09Å; K126-H128 VanDerWaalsContact C-N 3.31Å; K126-H128 PolarHBondContact O-N 3.22Å |
| 127 | A | 54 | Low | 61.7 | Low | 52 Ų | 52 | 109 Ų | 109 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | S | Bend | trans | -77.1 | -10.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | S124 W130 | S124-A127 PolarHBondContact O-N 3.49Å; A127-W130 PolarHBondContact O-NE1 3.17Å |
| 128 | H | 52.7 | Low | 60.3 | Low | 118 Ų | 118 | 111.8 Ų | 111.8 | 55% | 0.546 | 62% | 0.624 | S | S | . | * | S | Bend | trans | -99.6 | -13.9 | 175.7 | -65.2 | -67.8 | 0 | 0 | 0 | 113.6 | T125 K126 | T125-H128 HydrophobicContact CG2-CB 4.36Å; K126-H128 VanDerWaalsContact C-N 3.31Å; K126-H128 PolarHBondContact O-N 3.22Å |
| 129 | A | 53.4 | Low | 58.5 | Low | 48 Ų | 48 | 117.2 Ų | 117.2 | 40% | 0.397 | 63% | 0.634 | S | S | . | * | S | Bend | trans | -79.3 | -18.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 130 | W | 51.1 | Low | 56.7 | Low | 177 Ų | 177 | 116.1 Ų | 116.1 | 67% | 0.67 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -89.2 | -15.6 | 179.7 | 51.9 | -71.7 | 0 | 0 | 0 | 113.2 | A127 G132 Q133 | A127-W130 PolarHBondContact O-NE1 3.17Å; W130-G132 VanDerWaalsContact C-N 3.3Å; W130-G132 PolarHBondContact O-N 3.08Å; W130-Q133 PolarHBondContact O-N 3.16Å |
| 131 | K | 49.3 | Very low | 55.3 | Low | 173 Ų | 173 | 116.5 Ų | 116.5 | 75% | 0.752 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.2 | -16.5 | 177.6 | -166.4 | 163.7 | 179.5 | -177.9 | 0 | 113.2 | ||
| 132 | G | 52.3 | Low | 54.1 | Low | 54 Ų | 54 | 115.1 Ų | 115.1 | 56% | 0.557 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | -12.5 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115 | W130 | W130-G132 VanDerWaalsContact C-N 3.3Å; W130-G132 PolarHBondContact O-N 3.08Å |
| 133 | Q | 48.9 | Very low | 52.6 | Low | 157 Ų | 157 | 116.3 Ų | 116.3 | 73% | 0.734 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -21.9 | -176.7 | -173.2 | 66.9 | 75.3 | 0 | 0 | 113.2 | W130 | W130-Q133 PolarHBondContact O-N 3.16Š|
| 134 | W | 50.4 | Low | 52 | Low | 233 Ų | 233 | 115.2 Ų | 115.2 | 88% | 0.883 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108.1 | -14.8 | -177.9 | -64.1 | 105.9 | 0 | 0 | 0 | 114.2 | ||
| 135 | A | 53 | Low | 51.5 | Low | 65 Ų | 65 | 118.9 Ų | 118.9 | 54% | 0.537 | 68% | 0.675 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.5 | 104.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | G137 | A135-G137 VanDerWaalsContact C-N 3.3Å; A135-G137 PolarHBondContact O-N 3.3Å |
| 136 | G | 48.1 | Very low | 51.3 | Low | 97 Ų | 97 | 121.4 Ų | 121.4 | 100% | 1 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | 82.4 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 137 | G | 40.8 | Very low | 51.7 | Low | 56 Ų | 56 | 119.3 Ų | 119.3 | 58% | 0.577 | 68% | 0.676 | S | S | * | * | trans | -121.3 | 98.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | A135 Y139 | A135-G137 VanDerWaalsContact C-N 3.3Å; A135-G137 PolarHBondContact O-N 3.3Å; G137-Y139 PolarHBondContact O-N 2.98Å | ||
| 138 | A | 52.2 | Low | 52.7 | Low | 104 Ų | 104 | 128.2 Ų | 128.2 | 86% | 0.86 | 70% | 0.698 | S | S | * | * | trans | -81 | 101.4 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 139 | Y | 45.2 | Very low | 54.1 | Low | 213 Ų | 213 | 128.5 Ų | 128.5 | 84% | 0.835 | 71% | 0.708 | S | S | * | * | trans | -165.1 | 139.3 | 147.2 | 56.1 | -85.3 | 0 | 0 | 0 | 110.2 | G137 | G137-Y139 PolarHBondContact O-N 2.98Š| ||
| 140 | A | 45.6 | Very low | 55.7 | Low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 73% | 0.732 | S | S | * | * | trans | 71.3 | 73.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | E142 | A140-E142 VanDerWaalsContact C-N 3.26Å; A140-E142 PolarHBondContact O-N 3.27Å | ||
| 141 | A | 49 | Very low | 57.6 | Low | 105 Ų | 105 | 134 Ų | 134 | 87% | 0.868 | 73% | 0.731 | S | S | * | * | trans | -77.9 | 80.5 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 142 | E | 57 | Low | 59.7 | Low | 156 Ų | 156 | 130 Ų | 130 | 73% | 0.729 | 73% | 0.73 | S | S | * | * | trans | -66.5 | 143.4 | 154.4 | -79.9 | -66.6 | 109.9 | 0 | 0 | 108 | A140 E144 | A140-E142 VanDerWaalsContact C-N 3.26Å; A140-E142 PolarHBondContact O-N 3.27Å; E142-E144 PolarHBondContact O-N 3.46Å | ||
| 143 | P | 51 | Low | 61.9 | Low | 87 Ų | 87 | 130.4 Ų | 130.4 | 57% | 0.565 | 72% | 0.715 | S | S | * | * | trans | -67.3 | 99.8 | -176.1 | 27.8 | -31 | 0 | 0 | 0 | 109 | E145 | P143-E145 HydrophobicContact CB-CG 4.02Å; P143-E145 WeakPolarHBondContact CB-OE1 3.18Å; P143-E145 PolarHBondContact O-N 2.97Å | ||
| 144 | E | 58.5 | Low | 64.2 | Low | 119 Ų | 119 | 126.7 Ų | 126.7 | 56% | 0.556 | 70% | 0.703 | S | S | * | * | trans | -79.7 | 65.2 | -176.8 | -155 | 168.4 | 166 | 0 | 0 | 110.4 | E142 N146 K147 | E142-E144 PolarHBondContact O-N 3.46Å; E144-N146 PolarHBondContact O-N 3.22Å; E144-K147 HydrophobicContact CB-CD 4.47Å; E144-K147 HydrophobicContact CG-CD 4.02Å; E144-K147 HydrophobicContact CG-CG 4.34Å; E144-K147 WeakPolarHBondContact OE1-CE 3.33Å; E144-K147 IonicContact OE1-NZ 2.99Å; E144-K147 PolarHBondContact OE1-NZ 3.05Å; E144-K147 WeakPolarHBondContact OE2-CE 3.42Å; E144-K147 IonicContact OE2-NZ 3.06Å; E144-K147 PolarHBondContact OE2-NZ 3.04Å | ||
| 145 | E | 55.6 | Low | 66.5 | Low | 158 Ų | 158 | 125.4 Ų | 125.4 | 74% | 0.738 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.6 | -7.5 | -170.1 | -65.7 | 169.3 | -168.7 | 0 | 0 | 113.6 | P143 | P143-E145 HydrophobicContact CB-CG 4.02Å; P143-E145 WeakPolarHBondContact CB-OE1 3.18Å; P143-E145 PolarHBondContact O-N 2.97Å |
| 146 | N | 52.5 | Low | 68.6 | Low | 159 Ų | 159 | 125.4 Ų | 125.4 | 85% | 0.85 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.5 | 2.3 | -176.5 | -54.2 | 108.2 | 0 | 0 | 0 | 114.5 | E144 R148 | E144-N146 PolarHBondContact O-N 3.22Å; N146-R148 PolarHBondContact O-N 2.87Å; N146-R148 VanDerWaalsContact O-N 3.16Å |
| 147 | K | 65.7 | Low | 71 | Confident | 85 Ų | 85 | 122.2 Ų | 122.2 | 37% | 0.37 | 66% | 0.657 | S | S | . | * | S | Bend | trans | -75.9 | 101.6 | 170.2 | -75.4 | 168.4 | 166.1 | 162.8 | 0 | 108.6 | E144 T149 | E144-K147 HydrophobicContact CB-CD 4.47Å; E144-K147 HydrophobicContact CG-CD 4.02Å; E144-K147 HydrophobicContact CG-CG 4.34Å; E144-K147 WeakPolarHBondContact OE1-CE 3.33Å; E144-K147 IonicContact OE1-NZ 2.99Å; E144-K147 PolarHBondContact OE1-NZ 3.05Å; E144-K147 WeakPolarHBondContact OE2-CE 3.42Å; E144-K147 IonicContact OE2-NZ 3.06Å; E144-K147 PolarHBondContact OE2-NZ 3.04Å; K147-T149 PolarHBondContact O-N 2.92Å |
| 148 | R | 73.9 | Confident | 73.8 | Confident | 239 Ų | 239 | 122.5 Ų | 122.5 | 90% | 0.902 | 65% | 0.645 | S | S | * | * | trans | -54.9 | 101.3 | 166.8 | -70.1 | -178.1 | -176.4 | 173.4 | 1.3 | 108.9 | N146 R150 | N146-R148 PolarHBondContact O-N 2.87Å; N146-R148 VanDerWaalsContact O-N 3.16Å; R148-R150 PolarHBondContact O-N 3.45Å | ||
| 149 | T | 82.7 | Confident | 76 | Confident | 124 Ų | 124 | 122.1 Ų | 122.1 | 76% | 0.761 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 129.6 | 178.3 | -59.6 | 0 | 0 | 0 | 0 | 109.4 | K147 T151 | K147-T149 PolarHBondContact O-N 2.92Å; T149-T151 PolarHBondContact O-N 2.87Å |
| 150 | R | 87.3 | Confident | 78.5 | Confident | 239 Ų | 239 | 114.8 Ų | 114.8 | 90% | 0.902 | 60% | 0.601 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 122.8 | 173.3 | -81.2 | 178.4 | 168.7 | -100.9 | 2.4 | 108.7 | R148 | R148-R150 PolarHBondContact O-N 3.45Š|
| 151 | T | 89.7 | Confident | 81.1 | Confident | 103 Ų | 103 | 110.6 Ų | 110.6 | 63% | 0.632 | 57% | 0.567 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 131.2 | 168.9 | -44.9 | 0 | 0 | 0 | 0 | 109.4 | T149 | T149-T151 PolarHBondContact O-N 2.87Š|
| 152 | A | 94.1 | Very high | 83.4 | Confident | 89 Ų | 89 | 109.9 Ų | 109.9 | 74% | 0.736 | 55% | 0.545 | S | S | * | . | P | Polyproline II helix | trans | -91.2 | 142.3 | 171 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||
| 153 | Y | 97.8 | Very high | 85.4 | Confident | 61 Ų | 61 | 107.9 Ų | 107.9 | 24% | 0.239 | 53% | 0.534 | C | S | . | . | P | Polyproline II helix | trans | -86.5 | 144.9 | 172.3 | -57 | -51.2 | 0 | 0 | 0 | 110.2 | L158 L185 H189 W193 | Y153-L158 HydrophobicContact CD2-CD2 4.08Å; Y153-L158 HydrophobicContact CG-CD2 4.44Å; Y153-L185 HydrophobicContact CD1-CD1 3.98Å; Y153-L185 HydrophobicContact CD1-CD2 3.86Å; Y153-L185 HydrophobicContact CE1-CD1 3.91Å; Y153-L185 HydrophobicContact CE1-CD2 3.75Å; Y153-H189 HydrophobicContact CE1-CB 4.47Å; Y153-W193 AromaticContact CD2-CD1 3.87Å; Y153-W193 AromaticContact CE2-CD1 3.61Å |
| 154 | T | 98.4 | Very high | 87.7 | Confident | 79 Ų | 79 | 104.5 Ų | 104.5 | 49% | 0.485 | 51% | 0.511 | S | S | . | . | P | Polyproline II helix | trans | -71.2 | 160.9 | 174.6 | 73.1 | 0 | 0 | 0 | 0 | 110.7 | A156 Q157 L158 | T154-A156 VanDerWaalsContact C-N 3.29Å; T154-A156 PolarHBondContact O-N 3.35Å; T154-Q157 PolarHBondContact O-N 2.88Å; T154-Q157 VanDerWaalsContact OG1-CG 3.31Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.49Å; T154-Q157 PolarHBondContact OG1-N 3.3Å; T154-L158 WeakPolarHBondContact O-CG 2.99Å; T154-L158 PolarHBondContact O-N 2.88Å; T154-L158 VanDerWaalsContact O-N 3.09Å |
| 155 | R | 98.3 | Very high | 89.6 | Confident | 207 Ų | 207 | 99 Ų | 99 | 78% | 0.781 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -57 | -43.2 | 176.4 | -173.2 | 176.7 | -178.3 | -174.2 | 0.4 | 111.9 | Q157 L158 L159 | R155-Q157 PolarHBondContact O-N 3.33Å; R155-L158 PolarHBondContact O-N 3.41Å; R155-L159 HydrophobicContact CG-CD1 4.36Å; R155-L159 WeakPolarHBondContact O-CG 3.28Å; R155-L159 PolarHBondContact O-N 3.12Å |
| 156 | A | 98.3 | Very high | 91.6 | Very high | 65 Ų | 65 | 97.4 Ų | 97.4 | 54% | 0.537 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T154 L158 L159 E160 | T154-A156 VanDerWaalsContact C-N 3.29Å; T154-A156 PolarHBondContact O-N 3.35Å; A156-L158 VanDerWaalsContact C-N 3.33Å; A156-L158 PolarHBondContact O-N 3.16Å; A156-L159 PolarHBondContact O-N 3.38Å; A156-E160 PolarHBondContact O-N 3.45Å |
| 157 | Q | 98.5 | Very high | 93.8 | Very high | 29 Ų | 29 | 98.1 Ų | 98.1 | 14% | 0.136 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 175.7 | -72.2 | 171.7 | -26.9 | 0 | 0 | 111.8 | T154 R155 L161 L183 | T154-Q157 PolarHBondContact O-N 2.88Å; T154-Q157 VanDerWaalsContact OG1-CG 3.31Å; T154-Q157 WeakPolarHBondContact OG1-CG 3.49Å; T154-Q157 PolarHBondContact OG1-N 3.3Å; R155-Q157 PolarHBondContact O-N 3.33Å; Q157-L161 WeakPolarHBondContact O-CB 3.3Å; Q157-L161 WeakPolarHBondContact O-CD1 3.3Å; Q157-L161 WeakPolarHBondContact O-CG 3.49Å; Q157-L161 PolarHBondContact O-N 2.92Å; Q157-L161 VanDerWaalsContact O-N 3.08Å; Q157-L183 HydrophobicContact CG-CB 4.29Å; Q157-L183 PolarHBondContact NE2-O 3.06Å |
| 158 | L | 98.4 | Very high | 95.3 | Very high | 63 Ų | 63 | 97.9 Ų | 97.9 | 33% | 0.33 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.9 | -42.8 | 178.2 | -66.6 | 175 | 0 | 0 | 0 | 111.9 | Y153 T154 R155 A156 L161 E162 | Y153-L158 HydrophobicContact CD2-CD2 4.08Å; Y153-L158 HydrophobicContact CG-CD2 4.44Å; T154-L158 WeakPolarHBondContact O-CG 2.99Å; T154-L158 PolarHBondContact O-N 2.88Å; T154-L158 VanDerWaalsContact O-N 3.09Å; R155-L158 PolarHBondContact O-N 3.41Å; A156-L158 VanDerWaalsContact C-N 3.33Å; A156-L158 PolarHBondContact O-N 3.16Å; L158-L161 PolarHBondContact O-N 3.11Å; L158-E162 WeakPolarHBondContact O-CB 3.34Å; L158-E162 WeakPolarHBondContact O-CG 3.47Å; L158-E162 PolarHBondContact O-N 3.03Å |
| 159 | L | 98.6 | Very high | 96.5 | Very high | 96 Ų | 96 | 89 Ų | 89 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -62.3 | -46.9 | -179.9 | -70.6 | 173.4 | 0 | 0 | 0 | 112.2 | R155 A156 L161 E162 K163 | R155-L159 HydrophobicContact CG-CD1 4.36Å; R155-L159 WeakPolarHBondContact O-CG 3.28Å; R155-L159 PolarHBondContact O-N 3.12Å; A156-L159 PolarHBondContact O-N 3.38Å; L159-L161 PolarHBondContact O-N 3.49Å; L159-E162 PolarHBondContact O-N 3.43Å; L159-K163 WeakPolarHBondContact O-CB 3.37Å; L159-K163 PolarHBondContact O-N 2.88Å |
| 160 | E | 98.6 | Very high | 97.2 | Very high | 59 Ų | 59 | 89.8 Ų | 89.8 | 28% | 0.276 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -65.5 | -38.9 | 177.4 | -72.1 | -59.7 | 138.6 | 0 | 0 | 111.8 | A156 E162 K163 E164 L183 | A156-E160 PolarHBondContact O-N 3.45Å; E160-E162 VanDerWaalsContact C-N 3.34Å; E160-E162 PolarHBondContact O-N 2.99Å; E160-K163 PolarHBondContact O-N 3.29Å; E160-K163 IonicContact OE1-NZ 3.43Å; E160-K163 IonicContact OE2-NZ 3.92Å; E160-K163 PolarHBondContact OE2-NZ 3.34Å; E160-E164 VanDerWaalsContact O-CG 3.3Å; E160-E164 WeakPolarHBondContact O-CG 3Å; E160-E164 PolarHBondContact O-N 3.46Å; E160-L183 HydrophobicContact CB-CD1 4.22Å; E160-L183 HydrophobicContact CB-CD2 3.69Å; E160-L183 HydrophobicContact CG-CD2 3.98Å |
| 161 | L | 98.7 | Very high | 97.8 | Very high | 1 Ų | 1 | 79.7 Ų | 79.7 | 1% | 0.005 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.1 | -39.6 | 174.6 | -72 | 167.4 | 0 | 0 | 0 | 112.3 | Q157 L158 L159 F165 L183 L185 I190 W193 F194 | Q157-L161 WeakPolarHBondContact O-CB 3.3Å; Q157-L161 WeakPolarHBondContact O-CD1 3.3Å; Q157-L161 WeakPolarHBondContact O-CG 3.49Å; Q157-L161 PolarHBondContact O-N 2.92Å; Q157-L161 VanDerWaalsContact O-N 3.08Å; L158-L161 PolarHBondContact O-N 3.11Å; L159-L161 PolarHBondContact O-N 3.49Å; L161-F165 WeakPolarHBondContact O-CB 3.3Å; L161-F165 PolarHBondContact O-N 3.14Å; L161-L183 HydrophobicContact CD1-CD1 4.44Å; L161-L183 HydrophobicContact CD2-CD1 3.87Å; L161-L183 HydrophobicContact CG-CD1 3.73Å; L161-L185 HydrophobicContact CD1-CD1 4.34Å; L161-I190 HydrophobicContact CD2-CD1 3.79Å; L161-W193 HydrophobicContact CB-CD2 3.95Å; L161-W193 HydrophobicContact CB-CE3 3.92Å; L161-W193 HydrophobicContact CB-CH2 3.62Å; L161-W193 HydrophobicContact CB-CZ2 3.62Å; L161-W193 HydrophobicContact CB-CZ3 3.77Å; L161-W193 HydrophobicContact CD1-CD2 3.87Å; L161-W193 HydrophobicContact CD1-CG 3.84Å; L161-W193 HydrophobicContact CD2-CD2 4.35Å; L161-W193 HydrophobicContact CD2-CE3 4.24Å; L161-W193 HydrophobicContact CG-CD2 4.28Å; L161-W193 HydrophobicContact CG-CE3 4.46Å; L161-W193 WeakPolarHBondContact O-CH2 3.46Å; L161-W193 WeakPolarHBondContact O-CZ3 3.07Å; L161-F194 HydrophobicContact CD2-CE2 4.22Å |
| 162 | E | 98.6 | Very high | 98.2 | Very high | 89 Ų | 89 | 77.8 Ų | 77.8 | 42% | 0.416 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -68.2 | -44.6 | 176.5 | -76.4 | -170.7 | 174.1 | 0 | 0 | 112.3 | L158 L159 E160 E164 F165 L166 W193 | L158-E162 WeakPolarHBondContact O-CB 3.34Å; L158-E162 WeakPolarHBondContact O-CG 3.47Å; L158-E162 PolarHBondContact O-N 3.03Å; L159-E162 PolarHBondContact O-N 3.43Å; E160-E162 VanDerWaalsContact C-N 3.34Å; E160-E162 PolarHBondContact O-N 2.99Å; E162-E164 VanDerWaalsContact C-N 3.3Å; E162-E164 PolarHBondContact O-N 3.45Å; E162-F165 WeakPolarHBondContact O-CB 3.36Å; E162-F165 PolarHBondContact O-N 3.35Å; E162-F165 VanDerWaalsContact O-N 3.14Å; E162-L166 WeakPolarHBondContact O-CG 3.44Å; E162-L166 PolarHBondContact O-N 2.89Å; E162-W193 HydrophobicContact CG-CH2 3.95Å; E162-W193 HydrophobicContact CG-CZ2 4.01Å |
| 163 | K | 98.6 | Very high | 98.4 | Very high | 115 Ų | 115 | 82.6 Ų | 82.6 | 50% | 0.5 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -54 | -48 | 174.3 | 171.2 | 179.2 | 155.1 | -154.6 | 0 | 111.3 | L159 E160 L166 F167 | L159-K163 WeakPolarHBondContact O-CB 3.37Å; L159-K163 PolarHBondContact O-N 2.88Å; E160-K163 PolarHBondContact O-N 3.29Å; E160-K163 IonicContact OE1-NZ 3.43Å; E160-K163 IonicContact OE2-NZ 3.92Å; E160-K163 PolarHBondContact OE2-NZ 3.34Å; K163-L166 PolarHBondContact O-N 2.89Å; K163-F167 PolarHBondContact O-N 3.27Å; K163-F167 VanDerWaalsContact O-N 3.1Å |
| 164 | E | 98.6 | Very high | 98.4 | Very high | 16 Ų | 16 | 83.8 Ų | 83.8 | 8% | 0.075 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -66.5 | -38 | 177.6 | -70 | -65.7 | 133.7 | 0 | 0 | 112.9 | E160 E162 L166 F167 N168 R175 L179 F194 | E160-E164 VanDerWaalsContact O-CG 3.3Å; E160-E164 WeakPolarHBondContact O-CG 3Å; E160-E164 PolarHBondContact O-N 3.46Å; E162-E164 VanDerWaalsContact C-N 3.3Å; E162-E164 PolarHBondContact O-N 3.45Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 3.08Å; E164-F167 WeakPolarHBondContact O-CB 3.39Å; E164-F167 PolarHBondContact O-N 3.46Å; E164-N168 PolarHBondContact O-N 3.04Å; E164-R175 IonicContact OE1-CZ 2.66Å; E164-R175 IonicContact OE1-NE 2.77Å; E164-R175 IonicContact OE1-NH2 3.11Å; E164-R175 PolarHBondContact OE1-NH2 3.47Å; E164-R175 IonicContact OE2-CZ 3.66Å; E164-R175 IonicContact OE2-NE 3.88Å; E164-R175 PolarHBondContact OE2-NE 3.33Å; E164-R175 IonicContact OE2-NH2 2.68Å; E164-R175 PolarHBondContact OE2-NH2 3.15Å; E164-L179 HydrophobicContact CB-CD1 3.93Å; E164-L179 HydrophobicContact CG-CD1 3.66Å; E164-L179 HydrophobicContact CG-CD2 3.73Å; E164-L179 HydrophobicContact CG-CG 4.29Å; E164-F194 HydrophobicContact CB-CZ 4.14Å |
| 165 | F | 98.7 | Very high | 98.4 | Very high | 2 Ų | 2 | 83.4 Ų | 83.4 | 1% | 0.009 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -64.9 | -34.1 | 175.5 | -176.4 | -101.3 | 0 | 0 | 0 | 112.6 | L161 E162 N168 K169 W193 F194 R197 R198 W201 | L161-F165 WeakPolarHBondContact O-CB 3.3Å; L161-F165 PolarHBondContact O-N 3.14Å; E162-F165 WeakPolarHBondContact O-CB 3.36Å; E162-F165 PolarHBondContact O-N 3.35Å; E162-F165 VanDerWaalsContact O-N 3.14Å; F165-N168 WeakPolarHBondContact CA-O 3.45Å; F165-N168 CarbonylContact O-C 3.31Å; F165-N168 VanDerWaalsContact O-C 3.31Å; F165-K169 HydrophobicContact CD1-CD 3.99Å; F165-K169 HydrophobicContact CD2-CD 4.38Å; F165-K169 HydrophobicContact CE1-CD 3.41Å; F165-K169 VanDerWaalsContact CE1-CD 3.41Å; F165-K169 HydrophobicContact CE2-CB 4.19Å; F165-K169 HydrophobicContact CE2-CD 3.85Å; F165-K169 WeakPolarHBondContact CE2-O 3.46Å; F165-K169 HydrophobicContact CG-CD 4.45Å; F165-K169 HydrophobicContact CZ-CB 4.39Å; F165-K169 HydrophobicContact CZ-CD 3.33Å; F165-K169 HydrophobicContact CZ-CG 4.45Å; F165-K169 WeakPolarHBondContact O-CD 3.3Å; F165-K169 PolarHBondContact O-NZ 3.37Å; F165-W193 HydrophobicContact CB-CH2 4.32Å; F165-W193 HydrophobicContact CB-CZ3 4.07Å; F165-F194 HydrophobicContact CB-CE1 4.34Å; F165-F194 HydrophobicContact CD2-CD1 4.03Å; F165-F194 HydrophobicContact CD2-CE1 4Å; F165-R197 HydrophobicContact CB-CG 4.44Å; F165-R197 HydrophobicContact CD1-CG 3.65Å; F165-R197 HydrophobicContact CD2-CB 4.26Å; F165-R197 HydrophobicContact CD2-CG 3.68Å; F165-R197 HydrophobicContact CE1-CG 3.69Å; F165-R197 HydrophobicContact CE2-CB 4.22Å; F165-R197 HydrophobicContact CE2-CG 3.73Å; F165-R197 HydrophobicContact CG-CG 3.63Å; F165-R197 HydrophobicContact CZ-CG 3.73Å; F165-R198 HydrophobicContact CE2-CG 3.71Å; F165-R198 HydrophobicContact CZ-CG 4.24Å; F165-W201 HydrophobicContact CE1-CB 4.07Å; F165-W201 HydrophobicContact CE1-CG 4.12Å; F165-W201 HydrophobicContact CZ-CB 3.87Å; F165-W201 HydrophobicContact CZ-CG 4.05Å |
| 166 | L | 98.1 | Very high | 98.4 | Very high | 125 Ų | 125 | 76.2 Ų | 76.2 | 65% | 0.654 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 173.8 | -70.3 | 175.5 | 0 | 0 | 0 | 110.8 | E162 K163 E164 K169 | E162-L166 WeakPolarHBondContact O-CG 3.44Å; E162-L166 PolarHBondContact O-N 2.89Å; K163-L166 PolarHBondContact O-N 2.89Å; E164-L166 VanDerWaalsContact C-N 3.28Å; E164-L166 PolarHBondContact O-N 3.08Å; L166-K169 PolarHBondContact O-NZ 3.17Å; L166-K169 VanDerWaalsContact O-NZ 3.1Å |
| 167 | F | 98.3 | Very high | 98.5 | Very high | 175 Ų | 175 | 76.1 Ų | 76.1 | 77% | 0.768 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -61.8 | -48.1 | 175 | -177.4 | -103.4 | 0 | 0 | 0 | 112.6 | K163 E164 | K163-F167 PolarHBondContact O-N 3.27Å; K163-F167 VanDerWaalsContact O-N 3.1Å; E164-F167 WeakPolarHBondContact O-CB 3.39Å; E164-F167 PolarHBondContact O-N 3.46Å |
| 168 | N | 97.9 | Very high | 98.5 | Very high | 80 Ų | 80 | 79.2 Ų | 79.2 | 43% | 0.428 | 38% | 0.376 | S | S | . | . | trans | -145 | 124.5 | 175.6 | -168.5 | -15.8 | 0 | 0 | 0 | 111.3 | E164 F165 Y170 | E164-N168 PolarHBondContact O-N 3.04Å; F165-N168 WeakPolarHBondContact CA-O 3.45Å; F165-N168 CarbonylContact O-C 3.31Å; F165-N168 VanDerWaalsContact O-C 3.31Å; N168-Y170 PolarHBondContact ND2-O 3.49Å; N168-Y170 VanDerWaalsContact ND2-O 3.07Å; N168-Y170 PolarHBondContact O-N 3.09Å; N168-Y170 VanDerWaalsContact O-N 3.12Å; N168-Y170 PolarHBondContact OD1-N 3.27Å; N168-Y170 PolarHBondContact OD1-O 2.8Å | ||
| 169 | K | 98 | Very high | 98.5 | Very high | 52 Ų | 52 | 76.2 Ų | 76.2 | 23% | 0.226 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -66 | -15.6 | 179.8 | -58 | -68.9 | 168.3 | -77.3 | 0 | 112.7 | F165 L166 R198 | F165-K169 HydrophobicContact CD1-CD 3.99Å; F165-K169 HydrophobicContact CD2-CD 4.38Å; F165-K169 HydrophobicContact CE1-CD 3.41Å; F165-K169 VanDerWaalsContact CE1-CD 3.41Å; F165-K169 HydrophobicContact CE2-CB 4.19Å; F165-K169 HydrophobicContact CE2-CD 3.85Å; F165-K169 WeakPolarHBondContact CE2-O 3.46Å; F165-K169 HydrophobicContact CG-CD 4.45Å; F165-K169 HydrophobicContact CZ-CB 4.39Å; F165-K169 HydrophobicContact CZ-CD 3.33Å; F165-K169 HydrophobicContact CZ-CG 4.45Å; F165-K169 WeakPolarHBondContact O-CD 3.3Å; F165-K169 PolarHBondContact O-NZ 3.37Å; L166-K169 PolarHBondContact O-NZ 3.17Å; L166-K169 VanDerWaalsContact O-NZ 3.1Å; K169-R198 WeakPolarHBondContact O-CD 3.45Å; K169-R198 WeakPolarHBondContact O-CG 3.32Å |
| 170 | Y | 98.5 | Very high | 98.5 | Very high | 140 Ų | 140 | 72.2 Ų | 72.2 | 55% | 0.549 | 34% | 0.341 | S | S | . | . | S | Bend | trans | -128.8 | 131 | 178.3 | -65.5 | -102.7 | 0 | 0 | 0 | 109.9 | N168 | N168-Y170 PolarHBondContact ND2-O 3.49Å; N168-Y170 VanDerWaalsContact ND2-O 3.07Å; N168-Y170 PolarHBondContact O-N 3.09Å; N168-Y170 VanDerWaalsContact O-N 3.12Å; N168-Y170 PolarHBondContact OD1-N 3.27Å; N168-Y170 PolarHBondContact OD1-O 2.8Å |
| 171 | I | 98.3 | Very high | 98.5 | Very high | 27 Ų | 27 | 74.5 Ų | 74.5 | 14% | 0.138 | 36% | 0.359 | C | S | . | . | trans | -93.5 | 130.4 | 179.5 | -162.7 | 166.5 | 0 | 0 | 0 | 111.7 | R175 R176 L179 I190 F194 | I171-R175 HydrophobicContact CD1-CB 4.42Å; I171-R175 HydrophobicContact CD1-CG 4.14Å; I171-R175 HydrophobicContact CG1-CB 3.95Å; I171-R175 HydrophobicContact CG1-CG 4.02Å; I171-R176 HydrophobicContact CD1-CB 4.12Å; I171-R176 HydrophobicContact CG1-CB 4.24Å; I171-R176 HydrophobicContact CG2-CB 4.41Å; I171-L179 HydrophobicContact CD1-CD1 3.36Å; I171-L179 HydrophobicContact CD1-CG 4.2Å; I171-I190 HydrophobicContact CD1-CG2 3.89Å; I171-F194 HydrophobicContact CB-CD1 3.97Å; I171-F194 HydrophobicContact CB-CD2 4.36Å; I171-F194 HydrophobicContact CB-CE1 3.81Å; I171-F194 HydrophobicContact CB-CE2 4.22Å; I171-F194 HydrophobicContact CB-CG 4.25Å; I171-F194 HydrophobicContact CB-CZ 3.95Å; I171-F194 HydrophobicContact CD1-CD2 4.45Å; I171-F194 HydrophobicContact CD1-CE2 3.83Å; I171-F194 HydrophobicContact CD1-CZ 3.95Å; I171-F194 HydrophobicContact CG1-CZ 4.4Å; I171-F194 HydrophobicContact CG2-CB 4.44Å; I171-F194 HydrophobicContact CG2-CD1 4.12Å; I171-F194 HydrophobicContact CG2-CD2 4.1Å; I171-F194 HydrophobicContact CG2-CE1 4.43Å; I171-F194 HydrophobicContact CG2-CE2 4.42Å; I171-F194 HydrophobicContact CG2-CG 3.95Å | ||
| 172 | S | 98.6 | Very high | 98.4 | Very high | 64 Ų | 64 | 79.8 Ų | 79.8 | 45% | 0.448 | 39% | 0.385 | S | S | . | . | trans | -71.8 | 164.3 | 172.3 | 69.3 | 0 | 0 | 0 | 0 | 111.1 | R175 R176 | S172-R175 WeakPolarHBondContact OG-CB 3.48Å; S172-R176 WeakPolarHBondContact O-CB 3.3Å; S172-R176 PolarHBondContact O-N 3.45Å | ||
| 173 | R | 98.4 | Very high | 98.4 | Very high | 190 Ų | 190 | 76.3 Ų | 76.3 | 72% | 0.717 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -62.6 | -48.7 | 178.9 | -176.8 | 174.2 | -175.5 | 166.2 | -1.3 | 112.7 | R175 R176 V177 | R173-R175 PolarHBondContact O-N 3.22Å; R173-R176 WeakPolarHBondContact O-CB 3.36Å; R173-R176 PolarHBondContact O-N 2.91Å; R173-V177 PolarHBondContact O-N 3.34Å |
| 174 | P | 98.4 | Very high | 98.4 | Very high | 85 Ų | 85 | 77.7 Ų | 77.7 | 55% | 0.552 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -59.7 | -47.3 | 179.1 | -23.2 | 34.4 | 0 | 0 | 0 | 112.1 | R176 V177 E178 | P174-R176 VanDerWaalsContact C-N 3.27Å; P174-R176 PolarHBondContact O-N 3.45Å; P174-V177 WeakPolarHBondContact O-CB 3.45Å; P174-V177 PolarHBondContact O-N 2.93Å; P174-E178 PolarHBondContact O-N 2.99Å; P174-E178 VanDerWaalsContact O-N 3.14Å |
| 175 | R | 98.6 | Very high | 98.4 | Very high | 71 Ų | 71 | 78 Ų | 78 | 27% | 0.268 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.1 | -34.2 | -179.9 | -170.8 | 56.5 | 176.7 | 163.6 | 0.7 | 112.7 | E164 I171 S172 R173 V177 E178 L179 | E164-R175 IonicContact OE1-CZ 2.66Å; E164-R175 IonicContact OE1-NE 2.77Å; E164-R175 IonicContact OE1-NH2 3.11Å; E164-R175 PolarHBondContact OE1-NH2 3.47Å; E164-R175 IonicContact OE2-CZ 3.66Å; E164-R175 IonicContact OE2-NE 3.88Å; E164-R175 PolarHBondContact OE2-NE 3.33Å; E164-R175 IonicContact OE2-NH2 2.68Å; E164-R175 PolarHBondContact OE2-NH2 3.15Å; I171-R175 HydrophobicContact CD1-CB 4.42Å; I171-R175 HydrophobicContact CD1-CG 4.14Å; I171-R175 HydrophobicContact CG1-CB 3.95Å; I171-R175 HydrophobicContact CG1-CG 4.02Å; S172-R175 WeakPolarHBondContact OG-CB 3.48Å; R173-R175 PolarHBondContact O-N 3.22Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-V177 PolarHBondContact O-N 3.21Å; R175-E178 VanDerWaalsContact CD-OE2 3.23Å; R175-E178 WeakPolarHBondContact CD-OE2 3.49Å; R175-E178 IonicContact CZ-OE2 2.64Å; R175-E178 IonicContact NE-OE2 3.54Å; R175-E178 IonicContact NH1-OE2 2.89Å; R175-E178 PolarHBondContact NH1-OE2 3.05Å; R175-E178 PolarHBondContact O-N 2.89Å; R175-L179 WeakPolarHBondContact O-CG 2.97Å; R175-L179 PolarHBondContact O-N 2.97Å |
| 176 | R | 98.7 | Very high | 98.4 | Very high | 56 Ų | 56 | 81.4 Ų | 81.4 | 21% | 0.211 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.4 | -41.6 | 174.5 | -173.5 | -166.7 | -59 | 161.1 | 5.9 | 112 | I171 S172 R173 P174 A180 E187 I190 | I171-R176 HydrophobicContact CD1-CB 4.12Å; I171-R176 HydrophobicContact CG1-CB 4.24Å; I171-R176 HydrophobicContact CG2-CB 4.41Å; S172-R176 WeakPolarHBondContact O-CB 3.3Å; S172-R176 PolarHBondContact O-N 3.45Å; R173-R176 WeakPolarHBondContact O-CB 3.36Å; R173-R176 PolarHBondContact O-N 2.91Å; P174-R176 VanDerWaalsContact C-N 3.27Å; P174-R176 PolarHBondContact O-N 3.45Å; R176-A180 VanDerWaalsContact O-CB 3.3Å; R176-A180 WeakPolarHBondContact O-CB 3.3Å; R176-A180 PolarHBondContact O-N 3.25Å; R176-E187 HydrophobicContact CG-CB 4.21Å; R176-E187 HydrophobicContact CG-CG 4.26Å; R176-I190 HydrophobicContact CG-CB 3.96Å; R176-I190 HydrophobicContact CG-CG2 3.85Å |
| 177 | V | 98.8 | Very high | 98.4 | Very high | 64 Ų | 64 | 79.2 Ų | 79.2 | 39% | 0.388 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 177.9 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | R173 P174 R175 L179 A180 V181 E187 | R173-V177 PolarHBondContact O-N 3.34Å; P174-V177 WeakPolarHBondContact O-CB 3.45Å; P174-V177 PolarHBondContact O-N 2.93Å; R175-V177 VanDerWaalsContact C-N 3.33Å; R175-V177 PolarHBondContact O-N 3.21Å; V177-L179 PolarHBondContact O-N 3.26Å; V177-A180 WeakPolarHBondContact O-CB 3.39Å; V177-A180 PolarHBondContact O-N 2.89Å; V177-V181 WeakPolarHBondContact O-CG2 3.44Å; V177-V181 PolarHBondContact O-N 3.43Å; V177-V181 VanDerWaalsContact O-N 3.15Å; V177-E187 HydrophobicContact CG2-CG 4.39Å |
| 178 | E | 98.6 | Very high | 98.4 | Very high | 93 Ų | 93 | 78.4 Ų | 78.4 | 44% | 0.435 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -58.1 | -49.4 | 177.1 | -67.3 | 165.8 | -156.2 | 0 | 0 | 112.1 | P174 R175 A180 V181 M182 | P174-E178 PolarHBondContact O-N 2.99Å; P174-E178 VanDerWaalsContact O-N 3.14Å; R175-E178 VanDerWaalsContact CD-OE2 3.23Å; R175-E178 WeakPolarHBondContact CD-OE2 3.49Å; R175-E178 IonicContact CZ-OE2 2.64Å; R175-E178 IonicContact NE-OE2 3.54Å; R175-E178 IonicContact NH1-OE2 2.89Å; R175-E178 PolarHBondContact NH1-OE2 3.05Å; R175-E178 PolarHBondContact O-N 2.89Å; E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 3.27Å; E178-V181 PolarHBondContact O-N 3.14Å; E178-M182 VanDerWaalsContact O-CG 3.3Å; E178-M182 WeakPolarHBondContact O-CG 3.36Å; E178-M182 PolarHBondContact O-N 2.98Å |
| 179 | L | 98.6 | Very high | 98.4 | Very high | 1 Ų | 1 | 77.1 Ų | 77.1 | 1% | 0.005 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -66.6 | -35 | 178.4 | -65 | -175.1 | 0 | 0 | 0 | 113.3 | E164 I171 R175 V177 V181 M182 L183 I190 F194 | E164-L179 HydrophobicContact CB-CD1 3.93Å; E164-L179 HydrophobicContact CG-CD1 3.66Å; E164-L179 HydrophobicContact CG-CD2 3.73Å; E164-L179 HydrophobicContact CG-CG 4.29Å; I171-L179 HydrophobicContact CD1-CD1 3.36Å; I171-L179 HydrophobicContact CD1-CG 4.2Å; R175-L179 WeakPolarHBondContact O-CG 2.97Å; R175-L179 PolarHBondContact O-N 2.97Å; V177-L179 PolarHBondContact O-N 3.26Å; L179-V181 VanDerWaalsContact C-N 3.3Å; L179-V181 PolarHBondContact O-N 3.46Å; L179-M182 PolarHBondContact O-N 3.39Å; L179-L183 VanDerWaalsContact O-CB 3.28Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 WeakPolarHBondContact O-CG 3.45Å; L179-L183 PolarHBondContact O-N 3.27Å; L179-I190 HydrophobicContact CB-CD1 4.27Å; L179-F194 HydrophobicContact CD1-CE2 4.38Å |
| 180 | A | 98.6 | Very high | 98.4 | Very high | 11 Ų | 11 | 74.6 Ų | 74.6 | 9% | 0.091 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -58.5 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R176 V177 E178 N184 L185 E187 I190 | R176-A180 VanDerWaalsContact O-CB 3.3Å; R176-A180 WeakPolarHBondContact O-CB 3.3Å; R176-A180 PolarHBondContact O-N 3.25Å; V177-A180 WeakPolarHBondContact O-CB 3.39Å; V177-A180 PolarHBondContact O-N 2.89Å; E178-A180 VanDerWaalsContact C-N 3.35Å; E178-A180 PolarHBondContact O-N 3.27Å; A180-N184 WeakPolarHBondContact O-CA 3.35Å; A180-N184 PolarHBondContact O-N 3.05Å; A180-N184 VanDerWaalsContact O-N 3.16Å; A180-L185 CarbonylContact C-O 3.36Å; A180-L185 WeakPolarHBondContact CA-O 3.42Å; A180-L185 WeakPolarHBondContact CB-O 3.48Å; A180-L185 PolarHBondContact O-N 3.26Å; A180-E187 HydrophobicContact CB-CG 4.09Å; A180-I190 HydrophobicContact CB-CG1 4.24Å |
| 181 | V | 98.6 | Very high | 98.4 | Very high | 107 Ų | 107 | 73.7 Ų | 73.7 | 65% | 0.648 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -67.7 | -50.9 | 177.2 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | V177 E178 L179 L183 N184 | V177-V181 WeakPolarHBondContact O-CG2 3.44Å; V177-V181 PolarHBondContact O-N 3.43Å; V177-V181 VanDerWaalsContact O-N 3.15Å; E178-V181 PolarHBondContact O-N 3.14Å; L179-V181 VanDerWaalsContact C-N 3.3Å; L179-V181 PolarHBondContact O-N 3.46Å; V181-L183 VanDerWaalsContact C-N 3.27Å; V181-L183 PolarHBondContact O-N 3.48Å; V181-N184 PolarHBondContact O-N 3.1Å |
| 182 | M | 98.2 | Very high | 98.4 | Very high | 113 Ų | 113 | 74.7 Ų | 74.7 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.3 | -33.7 | -176.3 | -71.5 | 175.8 | 63.5 | 0 | 0 | 113.6 | E178 L179 | E178-M182 VanDerWaalsContact O-CG 3.3Å; E178-M182 WeakPolarHBondContact O-CG 3.36Å; E178-M182 PolarHBondContact O-N 2.98Å; L179-M182 PolarHBondContact O-N 3.39Å |
| 183 | L | 98.2 | Very high | 98.4 | Very high | 15 Ų | 15 | 72.9 Ų | 72.9 | 8% | 0.079 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.2 | 0.9 | -175.3 | -57.1 | -177.3 | 0 | 0 | 0 | 113.3 | Q157 E160 L161 L179 V181 L185 I190 | Q157-L183 HydrophobicContact CG-CB 4.29Å; Q157-L183 PolarHBondContact NE2-O 3.06Å; E160-L183 HydrophobicContact CB-CD1 4.22Å; E160-L183 HydrophobicContact CB-CD2 3.69Å; E160-L183 HydrophobicContact CG-CD2 3.98Å; L161-L183 HydrophobicContact CD1-CD1 4.44Å; L161-L183 HydrophobicContact CD2-CD1 3.87Å; L161-L183 HydrophobicContact CG-CD1 3.73Å; L179-L183 VanDerWaalsContact O-CB 3.28Å; L179-L183 WeakPolarHBondContact O-CB 3.47Å; L179-L183 WeakPolarHBondContact O-CG 3.45Å; L179-L183 PolarHBondContact O-N 3.27Å; V181-L183 VanDerWaalsContact C-N 3.27Å; V181-L183 PolarHBondContact O-N 3.48Å; L183-L185 VanDerWaalsContact C-N 3.26Å; L183-L185 HydrophobicContact CB-CD1 4.23Å; L183-L185 HydrophobicContact CB-CG 4.17Å; L183-L185 PolarHBondContact O-N 2.78Å; L183-I190 HydrophobicContact CD1-CD1 4.41Å |
| 184 | N | 98.3 | Very high | 98.4 | Very high | 145 Ų | 145 | 64.1 Ų | 64.1 | 78% | 0.775 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 44.1 | -172.2 | -59.3 | 96.2 | 0 | 0 | 0 | 112.6 | A180 V181 | A180-N184 WeakPolarHBondContact O-CA 3.35Å; A180-N184 PolarHBondContact O-N 3.05Å; A180-N184 VanDerWaalsContact O-N 3.16Å; V181-N184 PolarHBondContact O-N 3.1Å |
| 185 | L | 97.7 | Very high | 98.4 | Very high | 22 Ų | 22 | 64.5 Ų | 64.5 | 12% | 0.115 | 31% | 0.312 | C | S | . | . | trans | -118.4 | 155.5 | 176.5 | -65.7 | -179.8 | 0 | 0 | 0 | 110 | Y153 L161 A180 L183 H189 I190 | Y153-L185 HydrophobicContact CD1-CD1 3.98Å; Y153-L185 HydrophobicContact CD1-CD2 3.86Å; Y153-L185 HydrophobicContact CE1-CD1 3.91Å; Y153-L185 HydrophobicContact CE1-CD2 3.75Å; L161-L185 HydrophobicContact CD1-CD1 4.34Å; A180-L185 CarbonylContact C-O 3.36Å; A180-L185 WeakPolarHBondContact CA-O 3.42Å; A180-L185 WeakPolarHBondContact CB-O 3.48Å; A180-L185 PolarHBondContact O-N 3.26Å; L183-L185 VanDerWaalsContact C-N 3.26Å; L183-L185 HydrophobicContact CB-CD1 4.23Å; L183-L185 HydrophobicContact CB-CG 4.17Å; L183-L185 PolarHBondContact O-N 2.78Å; L185-H189 HydrophobicContact CB-CB 4.32Å; L185-I190 HydrophobicContact CB-CD1 3.94Å; L185-I190 HydrophobicContact CB-CG1 4.45Å; L185-I190 HydrophobicContact CD1-CD1 3.92Å | ||
| 186 | T | 98.3 | Very high | 98.4 | Very high | 74 Ų | 74 | 65.9 Ų | 65.9 | 45% | 0.454 | 33% | 0.325 | S | S | . | . | trans | -74.7 | 150.2 | 172.4 | 66.8 | 0 | 0 | 0 | 0 | 110.6 | R188 H189 I190 | T186-R188 PolarHBondContact O-N 3.44Å; T186-H189 WeakPolarHBondContact O-CA 3.45Å; T186-H189 WeakPolarHBondContact O-CB 3.37Å; T186-H189 PolarHBondContact O-N 3.2Å; T186-H189 PolarHBondContact OG1-N 2.66Å; T186-H189 PolarHBondContact OG1-ND1 3.43Å; T186-I190 PolarHBondContact O-N 2.94Å; T186-I190 VanDerWaalsContact O-N 3.11Å | ||
| 187 | E | 98.5 | Very high | 98.4 | Very high | 79 Ų | 79 | 65.4 Ų | 65.4 | 37% | 0.369 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -51.3 | -34.2 | 172.2 | -73.5 | -172.6 | -101.5 | 0 | 0 | 112.3 | R176 V177 A180 I190 K191 | R176-E187 HydrophobicContact CG-CB 4.21Å; R176-E187 HydrophobicContact CG-CG 4.26Å; V177-E187 HydrophobicContact CG2-CG 4.39Å; A180-E187 HydrophobicContact CB-CG 4.09Å; E187-I190 PolarHBondContact O-N 2.68Å; E187-K191 WeakPolarHBondContact O-CB 3.37Å; E187-K191 PolarHBondContact O-N 2.91Å |
| 188 | R | 97.9 | Very high | 98.4 | Very high | 158 Ų | 158 | 65.7 Ų | 65.7 | 60% | 0.596 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -62.1 | -44.7 | 175.1 | -177.5 | 179.4 | -178.7 | -80.6 | -3.8 | 111.6 | T186 K191 I192 | T186-R188 PolarHBondContact O-N 3.44Å; R188-K191 PolarHBondContact O-N 3.19Å; R188-I192 HydrophobicContact CG-CD1 3.91Å; R188-I192 VanDerWaalsContact NH1-CD1 3.3Å; R188-I192 VanDerWaalsContact O-CG1 3.3Å; R188-I192 WeakPolarHBondContact O-CG1 3.44Å; R188-I192 PolarHBondContact O-N 3.22Å |
| 189 | H | 98.1 | Very high | 98.3 | Very high | 52 Ų | 52 | 66.5 Ų | 66.5 | 24% | 0.241 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.7 | -42.8 | 176.5 | -71.1 | 152.4 | 0 | 0 | 0 | 111.7 | Y153 L185 T186 K191 I192 W193 | Y153-H189 HydrophobicContact CE1-CB 4.47Å; L185-H189 HydrophobicContact CB-CB 4.32Å; T186-H189 WeakPolarHBondContact O-CA 3.45Å; T186-H189 WeakPolarHBondContact O-CB 3.37Å; T186-H189 PolarHBondContact O-N 3.2Å; T186-H189 PolarHBondContact OG1-N 2.66Å; T186-H189 PolarHBondContact OG1-ND1 3.43Å; H189-K191 VanDerWaalsContact C-N 3.35Å; H189-K191 PolarHBondContact O-N 3.41Å; H189-I192 PolarHBondContact O-N 3.27Å; H189-W193 WeakPolarHBondContact O-CB 3.42Å; H189-W193 PolarHBondContact O-N 3.31Å |
| 190 | I | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59.3 | -47 | 173.9 | -53.5 | -61.8 | 0 | 0 | 0 | 110.5 | L161 I171 R176 L179 A180 L183 L185 T186 E187 I192 W193 F194 | L161-I190 HydrophobicContact CD2-CD1 3.79Å; I171-I190 HydrophobicContact CD1-CG2 3.89Å; R176-I190 HydrophobicContact CG-CB 3.96Å; R176-I190 HydrophobicContact CG-CG2 3.85Å; L179-I190 HydrophobicContact CB-CD1 4.27Å; A180-I190 HydrophobicContact CB-CG1 4.24Å; L183-I190 HydrophobicContact CD1-CD1 4.41Å; L185-I190 HydrophobicContact CB-CD1 3.94Å; L185-I190 HydrophobicContact CB-CG1 4.45Å; L185-I190 HydrophobicContact CD1-CD1 3.92Å; T186-I190 PolarHBondContact O-N 2.94Å; T186-I190 VanDerWaalsContact O-N 3.11Å; E187-I190 PolarHBondContact O-N 2.68Å; I190-I192 PolarHBondContact O-N 3.5Å; I190-W193 PolarHBondContact O-N 3.37Å; I190-F194 HydrophobicContact CG2-CD2 3.98Å; I190-F194 HydrophobicContact CG2-CE2 4.13Å; I190-F194 WeakPolarHBondContact O-CD2 3.34Å; I190-F194 PolarHBondContact O-N 3.4Å |
| 191 | K | 98.3 | Very high | 98.2 | Very high | 120 Ų | 120 | 75.7 Ų | 75.7 | 52% | 0.522 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -58.9 | -47.4 | 178.3 | -177.9 | -178.3 | 177.8 | -177.3 | 0 | 112.1 | E187 R188 H189 Q195 | E187-K191 WeakPolarHBondContact O-CB 3.37Å; E187-K191 PolarHBondContact O-N 2.91Å; R188-K191 PolarHBondContact O-N 3.19Å; H189-K191 VanDerWaalsContact C-N 3.35Å; H189-K191 PolarHBondContact O-N 3.41Å; K191-Q195 PolarHBondContact O-N 3.4Å |
| 192 | I | 98.3 | Very high | 98.1 | Very high | 48 Ų | 48 | 76.1 Ų | 76.1 | 25% | 0.246 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -65 | -42.7 | 179.3 | -70 | 168.7 | 0 | 0 | 0 | 110.4 | R188 H189 I190 Q195 N196 | R188-I192 HydrophobicContact CG-CD1 3.91Å; R188-I192 VanDerWaalsContact NH1-CD1 3.3Å; R188-I192 VanDerWaalsContact O-CG1 3.3Å; R188-I192 WeakPolarHBondContact O-CG1 3.44Å; R188-I192 PolarHBondContact O-N 3.22Å; H189-I192 PolarHBondContact O-N 3.27Å; I190-I192 PolarHBondContact O-N 3.5Å; I192-Q195 PolarHBondContact O-N 2.86Å; I192-N196 VanDerWaalsContact O-CG 3.3Å; I192-N196 PolarHBondContact O-N 3.16Å |
| 193 | W | 98.4 | Very high | 98 | Very high | 26 Ų | 26 | 78.5 Ų | 78.5 | 10% | 0.098 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -60.8 | -47.8 | 178.6 | -169.8 | 101.1 | 0 | 0 | 0 | 111.4 | Y153 L161 E162 F165 H189 I190 Q195 N196 R197 | Y153-W193 AromaticContact CD2-CD1 3.87Å; Y153-W193 AromaticContact CE2-CD1 3.61Å; L161-W193 HydrophobicContact CB-CD2 3.95Å; L161-W193 HydrophobicContact CB-CE3 3.92Å; L161-W193 HydrophobicContact CB-CH2 3.62Å; L161-W193 HydrophobicContact CB-CZ2 3.62Å; L161-W193 HydrophobicContact CB-CZ3 3.77Å; L161-W193 HydrophobicContact CD1-CD2 3.87Å; L161-W193 HydrophobicContact CD1-CG 3.84Å; L161-W193 HydrophobicContact CD2-CD2 4.35Å; L161-W193 HydrophobicContact CD2-CE3 4.24Å; L161-W193 HydrophobicContact CG-CD2 4.28Å; L161-W193 HydrophobicContact CG-CE3 4.46Å; L161-W193 WeakPolarHBondContact O-CH2 3.46Å; L161-W193 WeakPolarHBondContact O-CZ3 3.07Å; E162-W193 HydrophobicContact CG-CH2 3.95Å; E162-W193 HydrophobicContact CG-CZ2 4.01Å; F165-W193 HydrophobicContact CB-CH2 4.32Å; F165-W193 HydrophobicContact CB-CZ3 4.07Å; H189-W193 WeakPolarHBondContact O-CB 3.42Å; H189-W193 PolarHBondContact O-N 3.31Å; I190-W193 PolarHBondContact O-N 3.37Å; W193-Q195 VanDerWaalsContact C-N 3.28Å; W193-Q195 PolarHBondContact O-N 3.21Å; W193-N196 PolarHBondContact O-N 3.01Å; W193-R197 HydrophobicContact CD2-CB 4.48Å; W193-R197 HydrophobicContact CE3-CB 3.97Å; W193-R197 HydrophobicContact CH2-CB 4.01Å; W193-R197 HydrophobicContact CH2-CG 3.75Å; W193-R197 HydrophobicContact CZ2-CG 4.48Å; W193-R197 HydrophobicContact CZ3-CB 3.7Å; W193-R197 HydrophobicContact CZ3-CG 3.78Å; W193-R197 WeakPolarHBondContact O-CB 3.23Å; W193-R197 PolarHBondContact O-N 3.1Å |
| 194 | F | 98.8 | Very high | 97.8 | Very high | 6 Ų | 6 | 81.4 Ų | 81.4 | 3% | 0.026 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.1 | -33 | 176.5 | -93.2 | -100.3 | 0 | 0 | 0 | 112.9 | L161 E164 F165 I171 L179 I190 R198 | L161-F194 HydrophobicContact CD2-CE2 4.22Å; E164-F194 HydrophobicContact CB-CZ 4.14Å; F165-F194 HydrophobicContact CB-CE1 4.34Å; F165-F194 HydrophobicContact CD2-CD1 4.03Å; F165-F194 HydrophobicContact CD2-CE1 4Å; I171-F194 HydrophobicContact CB-CD1 3.97Å; I171-F194 HydrophobicContact CB-CD2 4.36Å; I171-F194 HydrophobicContact CB-CE1 3.81Å; I171-F194 HydrophobicContact CB-CE2 4.22Å; I171-F194 HydrophobicContact CB-CG 4.25Å; I171-F194 HydrophobicContact CB-CZ 3.95Å; I171-F194 HydrophobicContact CD1-CD2 4.45Å; I171-F194 HydrophobicContact CD1-CE2 3.83Å; I171-F194 HydrophobicContact CD1-CZ 3.95Å; I171-F194 HydrophobicContact CG1-CZ 4.4Å; I171-F194 HydrophobicContact CG2-CB 4.44Å; I171-F194 HydrophobicContact CG2-CD1 4.12Å; I171-F194 HydrophobicContact CG2-CD2 4.1Å; I171-F194 HydrophobicContact CG2-CE1 4.43Å; I171-F194 HydrophobicContact CG2-CE2 4.42Å; I171-F194 HydrophobicContact CG2-CG 3.95Å; L179-F194 HydrophobicContact CD1-CE2 4.38Å; I190-F194 HydrophobicContact CG2-CD2 3.98Å; I190-F194 HydrophobicContact CG2-CE2 4.13Å; I190-F194 WeakPolarHBondContact O-CD2 3.34Å; I190-F194 PolarHBondContact O-N 3.4Å; F194-R198 WeakPolarHBondContact O-CG 3.42Å; F194-R198 PolarHBondContact O-N 2.84Å; F194-R198 VanDerWaalsContact O-N 3.14Å; F194-R198 PolarHBondContact O-NE 3.14Å |
| 195 | Q | 98.7 | Very high | 97.5 | Very high | 93 Ų | 93 | 76.8 Ų | 76.8 | 44% | 0.435 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.9 | -49 | 173.8 | -171 | 169 | 34.1 | 0 | 0 | 111.1 | K191 I192 W193 R197 R198 M199 | K191-Q195 PolarHBondContact O-N 3.4Å; I192-Q195 PolarHBondContact O-N 2.86Å; W193-Q195 VanDerWaalsContact C-N 3.28Å; W193-Q195 PolarHBondContact O-N 3.21Å; Q195-R197 VanDerWaalsContact C-N 3.33Å; Q195-R197 PolarHBondContact O-N 2.96Å; Q195-R198 PolarHBondContact O-N 3.25Å; Q195-M199 WeakPolarHBondContact O-CG 3.45Å; Q195-M199 PolarHBondContact O-N 3.21Å |
| 196 | N | 98.3 | Very high | 97 | Very high | 101 Ų | 101 | 80 Ų | 80 | 54% | 0.54 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -61.3 | -42.7 | 177.3 | -68.9 | -15.5 | 0 | 0 | 0 | 111.5 | I192 W193 R198 M199 K200 | I192-N196 VanDerWaalsContact O-CG 3.3Å; I192-N196 PolarHBondContact O-N 3.16Å; W193-N196 PolarHBondContact O-N 3.01Å; N196-R198 PolarHBondContact O-N 3.12Å; N196-M199 PolarHBondContact O-N 3.03Å; N196-K200 PolarHBondContact O-N 2.79Å; N196-K200 VanDerWaalsContact O-N 3.09Å |
| 197 | R | 98.5 | Very high | 96.6 | Very high | 45 Ų | 45 | 84.8 Ų | 84.8 | 17% | 0.17 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -63.9 | -42 | -179.2 | -175 | 62.3 | -173.5 | 115.7 | -11.2 | 112 | F165 W193 Q195 K200 W201 E204 | F165-R197 HydrophobicContact CB-CG 4.44Å; F165-R197 HydrophobicContact CD1-CG 3.65Å; F165-R197 HydrophobicContact CD2-CB 4.26Å; F165-R197 HydrophobicContact CD2-CG 3.68Å; F165-R197 HydrophobicContact CE1-CG 3.69Å; F165-R197 HydrophobicContact CE2-CB 4.22Å; F165-R197 HydrophobicContact CE2-CG 3.73Å; F165-R197 HydrophobicContact CG-CG 3.63Å; F165-R197 HydrophobicContact CZ-CG 3.73Å; W193-R197 HydrophobicContact CD2-CB 4.48Å; W193-R197 HydrophobicContact CE3-CB 3.97Å; W193-R197 HydrophobicContact CH2-CB 4.01Å; W193-R197 HydrophobicContact CH2-CG 3.75Å; W193-R197 HydrophobicContact CZ2-CG 4.48Å; W193-R197 HydrophobicContact CZ3-CB 3.7Å; W193-R197 HydrophobicContact CZ3-CG 3.78Å; W193-R197 WeakPolarHBondContact O-CB 3.23Å; W193-R197 PolarHBondContact O-N 3.1Å; Q195-R197 VanDerWaalsContact C-N 3.33Å; Q195-R197 PolarHBondContact O-N 2.96Å; R197-K200 PolarHBondContact O-N 3.41Å; R197-W201 WeakPolarHBondContact O-CB 3.35Å; R197-W201 PolarHBondContact O-N 3.07Å; R197-E204 IonicContact CZ-OE2 3.26Å; R197-E204 IonicContact NH1-OE1 3.76Å; R197-E204 IonicContact NH1-OE2 3.61Å; R197-E204 PolarHBondContact NH1-OE2 2.76Å; R197-E204 IonicContact NH2-OE2 2.78Å |
| 198 | R | 98.4 | Very high | 96 | Very high | 71 Ų | 71 | 89.6 Ų | 89.6 | 27% | 0.268 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.7 | -76.7 | -174.4 | -68.7 | 146.9 | -4.2 | 112.7 | F165 K169 F194 Q195 N196 K200 W201 K202 | F165-R198 HydrophobicContact CE2-CG 3.71Å; F165-R198 HydrophobicContact CZ-CG 4.24Å; K169-R198 WeakPolarHBondContact O-CD 3.45Å; K169-R198 WeakPolarHBondContact O-CG 3.32Å; F194-R198 WeakPolarHBondContact O-CG 3.42Å; F194-R198 PolarHBondContact O-N 2.84Å; F194-R198 VanDerWaalsContact O-N 3.14Å; F194-R198 PolarHBondContact O-NE 3.14Å; Q195-R198 PolarHBondContact O-N 3.25Å; N196-R198 PolarHBondContact O-N 3.12Å; R198-K200 VanDerWaalsContact C-N 3.34Å; R198-K200 PolarHBondContact O-N 3.48Å; R198-W201 PolarHBondContact O-N 2.94Å; R198-K202 PolarHBondContact O-N 2.93Å |
| 199 | M | 98.3 | Very high | 95.1 | Very high | 109 Ų | 109 | 89.5 Ų | 89.5 | 54% | 0.537 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 176.5 | -65.4 | -57.8 | 170.2 | 0 | 0 | 111.5 | Q195 N196 K203 | Q195-M199 WeakPolarHBondContact O-CG 3.45Å; Q195-M199 PolarHBondContact O-N 3.21Å; N196-M199 PolarHBondContact O-N 3.03Å; M199-K203 PolarHBondContact O-N 2.85Å |
| 200 | K | 97.2 | Very high | 93.3 | Very high | 124 Ų | 124 | 89.1 Ų | 89.1 | 54% | 0.539 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -63 | -47.1 | 176 | -162.7 | -166.4 | -176 | -145.4 | 0 | 111.5 | N196 R197 R198 K202 K203 E204 | N196-K200 PolarHBondContact O-N 2.79Å; N196-K200 VanDerWaalsContact O-N 3.09Å; R197-K200 PolarHBondContact O-N 3.41Å; R198-K200 VanDerWaalsContact C-N 3.34Å; R198-K200 PolarHBondContact O-N 3.48Å; K200-K202 PolarHBondContact O-N 2.88Å; K200-K203 PolarHBondContact O-N 3.08Å; K200-E204 VanDerWaalsContact CD-OE1 3.3Å; K200-E204 WeakPolarHBondContact CD-OE1 2.96Å; K200-E204 WeakPolarHBondContact CE-OE1 3.28Å; K200-E204 HydrophobicContact CG-CG 4.48Å; K200-E204 WeakPolarHBondContact CG-OE1 3.48Å; K200-E204 IonicContact NZ-OE1 2.66Å; K200-E204 PolarHBondContact NZ-OE1 2.72Å; K200-E204 WeakPolarHBondContact O-CG 3.48Å; K200-E204 PolarHBondContact O-N 3.08Å |
| 201 | W | 97 | Very high | 91.4 | Very high | 82 Ų | 82 | 92.6 Ų | 92.6 | 31% | 0.311 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -59.2 | -44.2 | 179.5 | 173 | 74.4 | 0 | 0 | 0 | 112.3 | F165 R197 R198 K203 E204 E205 | F165-W201 HydrophobicContact CE1-CB 4.07Å; F165-W201 HydrophobicContact CE1-CG 4.12Å; F165-W201 HydrophobicContact CZ-CB 3.87Å; F165-W201 HydrophobicContact CZ-CG 4.05Å; R197-W201 WeakPolarHBondContact O-CB 3.35Å; R197-W201 PolarHBondContact O-N 3.07Å; R198-W201 PolarHBondContact O-N 2.94Å; W201-K203 VanDerWaalsContact C-N 3.34Å; W201-K203 PolarHBondContact O-N 2.66Å; W201-E204 PolarHBondContact O-N 3.08Å; W201-E205 HydrophobicContact CD2-CG 4.27Å; W201-E205 VanDerWaalsContact CH2-OE2 3.28Å; W201-E205 WeakPolarHBondContact CH2-OE2 3.46Å; W201-E205 HydrophobicContact CZ2-CG 3.95Å; W201-E205 WeakPolarHBondContact CZ2-OE2 3.32Å; W201-E205 PolarHBondContact O-N 2.86Å |
| 202 | K | 96.5 | Very high | 89.4 | Confident | 116 Ų | 116 | 90 Ų | 90 | 50% | 0.504 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -57.2 | -47.9 | 175.8 | -170.5 | -174.5 | 68.6 | 165.5 | 0 | 111.3 | R198 K200 E204 E205 D206 | R198-K202 PolarHBondContact O-N 2.93Å; K200-K202 PolarHBondContact O-N 2.88Å; K202-E204 VanDerWaalsContact C-N 3.34Å; K202-E204 PolarHBondContact O-N 2.79Å; K202-E205 PolarHBondContact O-N 3.28Å; K202-D206 PolarHBondContact O-N 3.27Å |
| 203 | K | 95.3 | Very high | 87.2 | Confident | 163 Ų | 163 | 94.5 Ų | 94.5 | 71% | 0.709 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.2 | -39.9 | 177.3 | -174.4 | 178.1 | 179.8 | 179.5 | 0 | 112.5 | M199 K200 W201 K207 | M199-K203 PolarHBondContact O-N 2.85Å; K200-K203 PolarHBondContact O-N 3.08Å; W201-K203 VanDerWaalsContact C-N 3.34Å; W201-K203 PolarHBondContact O-N 2.66Å; K203-K207 PolarHBondContact O-N 2.77Å |
| 204 | E | 94.4 | Very high | 84.9 | Confident | 75 Ų | 75 | 97.9 Ų | 97.9 | 35% | 0.35 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.6 | -41.9 | 176.4 | -72.7 | 166.6 | 172.8 | 0 | 0 | 111.3 | R197 K200 W201 K202 K207 K208 | R197-E204 IonicContact CZ-OE2 3.26Å; R197-E204 IonicContact NH1-OE1 3.76Å; R197-E204 IonicContact NH1-OE2 3.61Å; R197-E204 PolarHBondContact NH1-OE2 2.76Å; R197-E204 IonicContact NH2-OE2 2.78Å; K200-E204 VanDerWaalsContact CD-OE1 3.3Å; K200-E204 WeakPolarHBondContact CD-OE1 2.96Å; K200-E204 WeakPolarHBondContact CE-OE1 3.28Å; K200-E204 HydrophobicContact CG-CG 4.48Å; K200-E204 WeakPolarHBondContact CG-OE1 3.48Å; K200-E204 IonicContact NZ-OE1 2.66Å; K200-E204 PolarHBondContact NZ-OE1 2.72Å; K200-E204 WeakPolarHBondContact O-CG 3.48Å; K200-E204 PolarHBondContact O-N 3.08Å; W201-E204 PolarHBondContact O-N 3.08Å; K202-E204 VanDerWaalsContact C-N 3.34Å; K202-E204 PolarHBondContact O-N 2.79Å; E204-K207 PolarHBondContact O-N 2.87Å; E204-K208 PolarHBondContact O-N 3Å; E204-K208 VanDerWaalsContact O-N 3.16Å |
| 205 | E | 91.9 | Very high | 82.7 | Confident | 48 Ų | 48 | 104.9 Ų | 104.9 | 22% | 0.224 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -71.7 | -36.5 | 177.4 | -71.4 | -136.8 | 106.7 | 0 | 0 | 113.6 | W201 K202 K207 K208 R209 | W201-E205 HydrophobicContact CD2-CG 4.27Å; W201-E205 VanDerWaalsContact CH2-OE2 3.28Å; W201-E205 WeakPolarHBondContact CH2-OE2 3.46Å; W201-E205 HydrophobicContact CZ2-CG 3.95Å; W201-E205 WeakPolarHBondContact CZ2-OE2 3.32Å; W201-E205 PolarHBondContact O-N 2.86Å; K202-E205 PolarHBondContact O-N 3.28Å; E205-K207 VanDerWaalsContact C-N 3.26Å; E205-K207 PolarHBondContact O-N 3.17Å; E205-K208 PolarHBondContact O-N 3.48Å; E205-K208 VanDerWaalsContact O-N 3.08Å; E205-R209 VanDerWaalsContact CD-CZ 3.5Å; E205-R209 VanDerWaalsContact CD-NH2 3.3Å; E205-R209 PolarHBondContact O-N 3.13Å; E205-R209 IonicContact OE1-CZ 3.68Å; E205-R209 IonicContact OE1-NH1 2.93Å; E205-R209 PolarHBondContact OE1-NH1 2.91Å; E205-R209 VanDerWaalsContact OE1-NH1 3.08Å; E205-R209 IonicContact OE2-CZ 3.82Å; E205-R209 IonicContact OE2-NH1 3.08Å; E205-R209 PolarHBondContact OE2-NH1 3.17Å; E205-R209 IonicContact OE2-NH2 3.8Å; E205-R209 PolarHBondContact OE2-NH2 3.46Å |
| 206 | D | 88.4 | Confident | 80.1 | Confident | 89 Ų | 89 | 104.2 Ų | 104.2 | 48% | 0.476 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -61.8 | -38.1 | 175.8 | -66.4 | -20.4 | 0 | 0 | 0 | 110.5 | K202 G210 | K202-D206 PolarHBondContact O-N 3.27Å; D206-G210 PolarHBondContact O-N 3.34Å |
| 207 | K | 88.7 | Confident | 77.3 | Confident | 176 Ų | 176 | 103.4 Ų | 103.4 | 77% | 0.765 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -64.6 | -37.9 | 172.3 | 177.8 | 175.8 | 164.8 | 169.2 | 0 | 112.2 | K203 E204 E205 | K203-K207 PolarHBondContact O-N 2.77Å; E204-K207 PolarHBondContact O-N 2.87Å; E205-K207 VanDerWaalsContact C-N 3.26Å; E205-K207 PolarHBondContact O-N 3.17Å |
| 208 | K | 86.1 | Confident | 74.4 | Confident | 180 Ų | 180 | 104.7 Ų | 104.7 | 78% | 0.783 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -72.9 | -37.4 | 179.3 | -176.5 | 174 | 174.7 | 169.7 | 0 | 112.5 | E204 E205 | E204-K208 PolarHBondContact O-N 3Å; E204-K208 VanDerWaalsContact O-N 3.16Å; E205-K208 PolarHBondContact O-N 3.48Å; E205-K208 VanDerWaalsContact O-N 3.08Å |
| 209 | R | 78.2 | Confident | 71.6 | Confident | 155 Ų | 155 | 105.3 Ų | 105.3 | 59% | 0.585 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -83.8 | -29.2 | -179.5 | -72.9 | -174 | -81.4 | -111.6 | 7.3 | 113.4 | E205 | E205-R209 VanDerWaalsContact CD-CZ 3.5Å; E205-R209 VanDerWaalsContact CD-NH2 3.3Å; E205-R209 PolarHBondContact O-N 3.13Å; E205-R209 IonicContact OE1-CZ 3.68Å; E205-R209 IonicContact OE1-NH1 2.93Å; E205-R209 PolarHBondContact OE1-NH1 2.91Å; E205-R209 VanDerWaalsContact OE1-NH1 3.08Å; E205-R209 IonicContact OE2-CZ 3.82Å; E205-R209 IonicContact OE2-NH1 3.08Å; E205-R209 PolarHBondContact OE2-NH1 3.17Å; E205-R209 IonicContact OE2-NH2 3.8Å; E205-R209 PolarHBondContact OE2-NH2 3.46Å |
| 210 | G | 61.8 | Low | 69.2 | Low | 45 Ų | 45 | 106.5 Ų | 106.5 | 46% | 0.464 | 66% | 0.659 | S | S | . | * | S | Bend | trans | -85.3 | -1.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | D206 G212 | D206-G210 PolarHBondContact O-N 3.34Å; G210-G212 PolarHBondContact O-N 2.96Å; G210-G212 VanDerWaalsContact O-N 3.08Å |
| 211 | G | 57.6 | Low | 67 | Low | 72 Ų | 72 | 105.2 Ų | 105.2 | 74% | 0.742 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 2.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 212 | G | 56.2 | Low | 64.7 | Low | 65 Ų | 65 | 109.2 Ų | 109.2 | 67% | 0.67 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.3 | -10.1 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116 | G210 | G210-G212 PolarHBondContact O-N 2.96Å; G210-G212 VanDerWaalsContact O-N 3.08Å |
| 213 | T | 52.3 | Low | 62.4 | Low | 143 Ų | 143 | 107.7 Ų | 107.7 | 88% | 0.877 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -158.4 | 60.9 | -176 | -29.8 | 0 | 0 | 0 | 0 | 113.2 | ||
| 214 | A | 50.4 | Low | 60 | Low | 97 Ų | 97 | 109.5 Ų | 109.5 | 80% | 0.802 | 71% | 0.706 | S | S | * | * | trans | -155.5 | 124.2 | 155.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 215 | V | 52.8 | Low | 57.6 | Low | 154 Ų | 154 | 113.6 Ų | 113.6 | 93% | 0.933 | 73% | 0.725 | S | S | * | * | trans | -62 | 143.5 | -172.7 | 124.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 216 | G | 44.4 | Very low | 55 | Low | 79 Ų | 79 | 117.9 Ų | 117.9 | 81% | 0.814 | 75% | 0.749 | S | S | * | * | trans | 89.3 | 113.7 | 147.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 217 | G | 38.9 | Very low | 52.4 | Low | 83 Ų | 83 | 120 Ų | 120 | 86% | 0.856 | 77% | 0.77 | S | S | * | * | trans | 131.8 | 88.4 | 148.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 218 | G | 38.4 | Very low | 50.2 | Low | 73 Ų | 73 | 116.2 Ų | 116.2 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | trans | 73.3 | 69.6 | 142.6 | 0 | 0 | 0 | 0 | 0 | 116.8 | V220 | G218-V220 PolarHBondContact O-N 3.29Å; G218-V220 VanDerWaalsContact O-N 3.17Å | ||
| 219 | G | 39.1 | Very low | 48 | Very low | 83 Ų | 83 | 114.4 Ų | 114.4 | 86% | 0.856 | 78% | 0.775 | S | S | * | * | trans | -66 | 106.1 | 155.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 220 | V | 48 | Very low | 46.1 | Very low | 135 Ų | 135 | 112.9 Ų | 112.9 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | trans | -92.4 | 92.1 | 149.3 | -163.9 | 0 | 0 | 0 | 0 | 104.5 | G218 E222 | G218-V220 PolarHBondContact O-N 3.29Å; G218-V220 VanDerWaalsContact O-N 3.17Å; V220-E222 PolarHBondContact O-N 3.02Å; V220-E222 VanDerWaalsContact O-N 3.16Å | ||
| 221 | A | 49.8 | Very low | 45.4 | Very low | 96 Ų | 96 | 116.3 Ų | 116.3 | 79% | 0.793 | 80% | 0.8 | S | S | * | * | trans | -68.9 | 101.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 222 | E | 49.2 | Very low | 44.7 | Very low | 166 Ų | 166 | 116.1 Ų | 116.1 | 78% | 0.776 | 80% | 0.798 | S | S | * | * | trans | -68.1 | 129.8 | 166.5 | -108.1 | -88.1 | 113.3 | 0 | 0 | 108.2 | V220 E224 | V220-E222 PolarHBondContact O-N 3.02Å; V220-E222 VanDerWaalsContact O-N 3.16Å; E222-E224 PolarHBondContact O-N 3.3Å | ||
| 223 | P | 47.8 | Very low | 44.1 | Very low | 85 Ų | 85 | 121.4 Ų | 121.4 | 55% | 0.552 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 126.7 | -175.6 | 27.8 | -31.8 | 0 | 0 | 0 | 110.5 | Q225 | P223-Q225 PolarHBondContact O-N 3.08Å; P223-Q225 VanDerWaalsContact O-N 3.12Å | ||
| 224 | E | 45.2 | Very low | 43.6 | Very low | 200 Ų | 200 | 122.8 Ų | 122.8 | 94% | 0.935 | 80% | 0.802 | S | S | * | * | trans | -50.9 | 115 | 161.9 | -83.1 | -175.3 | 102.7 | 0 | 0 | 109.3 | E222 | E222-E224 PolarHBondContact O-N 3.3Š| ||
| 225 | Q | 43.3 | Very low | 43.1 | Very low | 162 Ų | 162 | 124.6 Ų | 124.6 | 76% | 0.757 | 80% | 0.797 | S | S | * | * | trans | -112.1 | 110.5 | 160.4 | -77.7 | 177.8 | 65.3 | 0 | 0 | 107.8 | P223 | P223-Q225 PolarHBondContact O-N 3.08Å; P223-Q225 VanDerWaalsContact O-N 3.12Å | ||
| 226 | D | 38.2 | Very low | 42.8 | Very low | 137 Ų | 137 | 124.9 Ų | 124.9 | 73% | 0.733 | 79% | 0.793 | S | S | * | * | trans | 50.5 | 101.4 | 144.6 | -62.3 | -63.7 | 0 | 0 | 0 | 119 | ||||
| 227 | C | 34.2 | Very low | 42.6 | Very low | 135 Ų | 135 | 126 Ų | 126 | 91% | 0.912 | 80% | 0.795 | S | S | * | * | trans | -143.3 | 54.8 | 139.6 | -73.1 | 0 | 0 | 0 | 0 | 109.8 | V229 | C227-V229 VanDerWaalsContact C-N 3.28Å; C227-V229 PolarHBondContact O-N 2.88Å; C227-V229 VanDerWaalsContact O-N 3.08Å | ||
| 228 | A | 41.8 | Very low | 43.4 | Very low | 96 Ų | 96 | 130 Ų | 130 | 79% | 0.793 | 80% | 0.796 | S | S | * | * | trans | -74.6 | 85.7 | 160.3 | 0 | 0 | 0 | 0 | 0 | 108.1 | T230 | A228-T230 PolarHBondContact O-N 2.95Š| ||
| 229 | V | 39.4 | Very low | 44.4 | Very low | 142 Ų | 142 | 132 Ų | 132 | 86% | 0.861 | 80% | 0.795 | S | S | * | * | trans | -82.8 | 94.4 | 164 | 85 | 0 | 0 | 0 | 0 | 107 | C227 S231 | C227-V229 VanDerWaalsContact C-N 3.28Å; C227-V229 PolarHBondContact O-N 2.88Å; C227-V229 VanDerWaalsContact O-N 3.08Å; V229-S231 PolarHBondContact O-N 3.16Å | ||
| 230 | T | 39.4 | Very low | 45.2 | Very low | 123 Ų | 123 | 133.9 Ų | 133.9 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | trans | -58.9 | 125.4 | 162.1 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | A228 G232 | A228-T230 PolarHBondContact O-N 2.95Å; T230-G232 PolarHBondContact O-N 3.11Å | ||
| 231 | S | 46.1 | Very low | 45.8 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | -69.6 | 99.4 | 170.6 | -156.7 | 0 | 0 | 0 | 0 | 106.6 | V229 | V229-S231 PolarHBondContact O-N 3.16Š| ||
| 232 | G | 43.4 | Very low | 45.7 | Very low | 69 Ų | 69 | 134.7 Ų | 134.7 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -117 | 98.8 | 175 | 0 | 0 | 0 | 0 | 0 | 109 | T230 | T230-G232 PolarHBondContact O-N 3.11Š| ||
| 233 | E | 44 | Very low | 45.1 | Very low | 175 Ų | 175 | 130.7 Ų | 130.7 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -64.2 | 145.2 | 164.9 | 59 | -154.6 | 80.9 | 0 | 0 | 111.9 | ||||
| 234 | E | 41.7 | Very low | 44.6 | Very low | 173 Ų | 173 | 129.8 Ų | 129.8 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | trans | 88.9 | 130.6 | 156.8 | -134.5 | -178.9 | 89.8 | 0 | 0 | 121.3 | ||||
| 235 | L | 40.8 | Very low | 44.3 | Very low | 134 Ų | 134 | 127.1 Ų | 127.1 | 70% | 0.702 | 80% | 0.799 | S | S | * | * | trans | 92.5 | 94.9 | 150.9 | -115 | 119.7 | 0 | 0 | 0 | 121 | ||||
| 236 | L | 45.9 | Very low | 44.4 | Very low | 160 Ų | 160 | 125.8 Ų | 125.8 | 84% | 0.838 | 80% | 0.802 | S | S | * | * | trans | 24.1 | 112.4 | 130.4 | -55.6 | 173.4 | 0 | 0 | 0 | 118.7 | ||||
| 237 | A | 40.2 | Very low | 45.2 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 86% | 0.86 | 80% | 0.803 | S | S | * | * | trans | -176.5 | 126.9 | 137.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 238 | L | 56.3 | Low | 46.3 | Very low | 167 Ų | 167 | 124.1 Ų | 124.1 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 152.9 | 166.4 | -76.2 | 157 | 0 | 0 | 0 | 111 | ||
| 239 | P | 58.3 | Low | 46.1 | Very low | 113 Ų | 113 | 124.3 Ų | 124.3 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.9 | 178.9 | 31.8 | -34.4 | 0 | 0 | 0 | 113.1 | ||
| 240 | P | 55.8 | Low | 46.2 | Very low | 123 Ų | 123 | 122.4 Ų | 122.4 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -86 | 146.6 | 179.5 | 33.5 | -34 | 0 | 0 | 0 | 113.4 | ||
| 241 | P | 60 | Low | 47 | Very low | 120 Ų | 120 | 122.1 Ų | 122.1 | 78% | 0.779 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -87 | 151.5 | 160.9 | 33.7 | -31.8 | 0 | 0 | 0 | 111.8 | ||
| 242 | P | 49.5 | Very low | 46.8 | Very low | 129 Ų | 129 | 123.1 Ų | 123.1 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -86.2 | 133.5 | 178.5 | 33 | -30.9 | 0 | 0 | 0 | 112.5 | ||
| 243 | G | 35.6 | Very low | 46.8 | Very low | 82 Ų | 82 | 123.8 Ų | 123.8 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 81.2 | 119.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 244 | G | 37.5 | Very low | 46.5 | Very low | 66 Ų | 66 | 119.8 Ų | 119.8 | 68% | 0.68 | 79% | 0.794 | S | S | * | * | trans | 149.9 | 80 | 154.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 245 | T | 38.7 | Very low | 46.7 | Very low | 143 Ų | 143 | 122.8 Ų | 122.8 | 88% | 0.877 | 80% | 0.798 | S | S | * | * | trans | 52.9 | 106.6 | 142.5 | 51 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 246 | V | 46.3 | Very low | 46.7 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 81% | 0.812 | 81% | 0.807 | S | S | * | * | trans | -92.1 | 158.7 | 142.8 | -70.7 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 247 | P | 53.8 | Low | 46.3 | Very low | 118 Ų | 118 | 121.1 Ų | 121.1 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | -155.9 | -156.7 | 60.4 | 46.1 | -21 | 0 | 0 | 0 | 114.5 | |||||
| 248 | P | 57 | Low | 46.3 | Very low | 120 Ų | 120 | 128 Ų | 128 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | -133.9 | 165.3 | -96 | 39.2 | -19.7 | 0 | 0 | 0 | 114.4 | |||||
| 249 | A | 37.5 | Very low | 45.7 | Very low | 100 Ų | 100 | 127.4 Ų | 127.4 | 83% | 0.826 | 80% | 0.803 | S | S | * | * | trans | -160.4 | 99.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 250 | A | 42.7 | Very low | 45.8 | Very low | 101 Ų | 101 | 127.2 Ų | 127.2 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | 40 | 151.8 | 131.5 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 251 | P | 56.4 | Low | 45.9 | Very low | 117 Ų | 117 | 126.7 Ų | 126.7 | 76% | 0.76 | 80% | 0.798 | S | S | * | * | trans | -102.1 | 179.7 | -152 | 41 | -32.2 | 0 | 0 | 0 | 112.9 | ||||
| 252 | V | 41.6 | Very low | 44.9 | Very low | 137 Ų | 137 | 124.1 Ų | 124.1 | 83% | 0.83 | 79% | 0.794 | S | S | * | * | trans | 170 | 142.7 | 134.8 | 152.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 253 | A | 42.4 | Very low | 44.8 | Very low | 84 Ų | 84 | 126.2 Ų | 126.2 | 69% | 0.694 | 80% | 0.797 | S | S | * | * | trans | 74.8 | 107.1 | 157.9 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 254 | A | 39.4 | Very low | 45.4 | Very low | 90 Ų | 90 | 128 Ų | 128 | 74% | 0.744 | 80% | 0.796 | S | S | * | * | 59 | 103.6 | 72.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 255 | R | 45.6 | Very low | 45.8 | Very low | 236 Ų | 236 | 129.2 Ų | 129.2 | 89% | 0.891 | 80% | 0.8 | S | S | * | * | -161.6 | 134.6 | 124.2 | -150.4 | 123.8 | 76.3 | -137 | 4.1 | 112.3 | |||||
| 256 | E | 39.2 | Very low | 46.2 | Very low | 188 Ų | 188 | 127.8 Ų | 127.8 | 88% | 0.879 | 80% | 0.796 | S | S | * | * | trans | -49.4 | 155.1 | 166.5 | -65.1 | 153.4 | 91.8 | 0 | 0 | 113.6 | ||||
| 257 | G | 38.8 | Very low | 46.8 | Very low | 72 Ų | 72 | 127.3 Ų | 127.3 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | 167.7 | 89.1 | 159.9 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 258 | R | 40.3 | Very low | 46.5 | Very low | 247 Ų | 247 | 130.2 Ų | 130.2 | 93% | 0.932 | 80% | 0.799 | S | S | * | * | trans | 91.5 | 106 | 134.8 | -144.3 | 157 | -173.8 | -93.4 | -0.7 | 118.8 | ||||
| 259 | L | 44.1 | Very low | 46.5 | Very low | 156 Ų | 156 | 129.9 Ų | 129.9 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -90.1 | -179.6 | 151.4 | -75.4 | 176.1 | 0 | 0 | 0 | 109.3 | ||||
| 260 | P | 59.8 | Low | 47 | Very low | 108 Ų | 108 | 130.4 Ų | 130.4 | 70% | 0.701 | 79% | 0.794 | S | S | * | * | cis | -137.6 | -136.5 | -43.4 | 39.6 | -19.3 | 0 | 0 | 0 | 109.2 | ||||
| 261 | P | 57.3 | Low | 47.3 | Very low | 112 Ų | 112 | 130.9 Ų | 130.9 | 73% | 0.727 | 79% | 0.792 | S | S | * | * | cis | -128.4 | 177.7 | -45.3 | 33 | -15.3 | 0 | 0 | 0 | 114.3 | ||||
| 262 | G | 38.9 | Very low | 47.4 | Very low | 67 Ų | 67 | 132.1 Ų | 132.1 | 69% | 0.691 | 80% | 0.796 | S | S | * | * | trans | 87 | 148 | 149.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 263 | L | 47.1 | Very low | 48.3 | Very low | 173 Ų | 173 | 129.6 Ų | 129.6 | 91% | 0.906 | 79% | 0.79 | S | S | * | * | cis | -156.4 | 140 | 49.7 | -21.4 | 167.5 | 0 | 0 | 0 | 110.3 | ||||
| 264 | S | 49.7 | Very low | 49.4 | Very low | 119 Ų | 119 | 131.8 Ų | 131.8 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -74.1 | 150.2 | 161.8 | 173.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 265 | A | 45.4 | Very low | 50.3 | Low | 92 Ų | 92 | 139.2 Ų | 139.2 | 76% | 0.76 | 81% | 0.806 | S | S | * | * | trans | -178.2 | 119 | 139.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 266 | S | 46.8 | Very low | 51 | Low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -60.9 | 163 | 145.6 | -68.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 267 | P | 58.8 | Low | 52.2 | Low | 124 Ų | 124 | 136.1 Ų | 136.1 | 81% | 0.805 | 80% | 0.802 | S | S | * | * | -149.1 | 154.9 | 102.9 | 33.7 | -15.2 | 0 | 0 | 0 | 115.7 | |||||
| 268 | Q | 47.5 | Very low | 53.1 | Low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -77 | 164.2 | 154.6 | -69.8 | -136.4 | 22.7 | 0 | 0 | 110.4 | ||||
| 269 | P | 57.7 | Low | 53.9 | Low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 81% | 0.806 | S | S | * | * | -156.9 | 155.5 | 100.8 | 36.3 | -15.5 | 0 | 0 | 0 | 118.8 | |||||
| 270 | S | 48.2 | Very low | 55.1 | Low | 111 Ų | 111 | 137 Ų | 137 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 80.5 | 118.4 | 130.8 | -63.8 | 0 | 0 | 0 | 0 | 125 | ||||
| 271 | S | 47.5 | Very low | 54.9 | Low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 83% | 0.828 | S | S | * | * | trans | -35 | 134.6 | 151.4 | -175.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 272 | V | 59.6 | Low | 54.8 | Low | 142 Ų | 142 | 149.2 Ų | 149.2 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -142.1 | 122.8 | 153.5 | 166.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 273 | A | 61.1 | Low | 55.6 | Low | 84 Ų | 84 | 153.5 Ų | 153.5 | 69% | 0.694 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 145.6 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||
| 274 | P | 65.5 | Low | 56.1 | Low | 130 Ų | 130 | 152.4 Ų | 152.4 | 84% | 0.844 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -93.2 | 137 | 170.7 | 32.7 | -29.2 | 0 | 0 | 0 | 112.7 | ||
| 275 | R | 58.5 | Low | 56.4 | Low | 246 Ų | 246 | 154.4 Ų | 154.4 | 93% | 0.928 | 84% | 0.837 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 150.1 | 174.8 | -78 | 176.2 | 169.4 | -100.9 | 0.9 | 112.1 | ||
| 276 | R | 58.9 | Low | 57.1 | Low | 239 Ų | 239 | 158.3 Ų | 158.3 | 90% | 0.902 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -54.1 | 142.5 | 174 | -152.2 | -174.1 | -147.2 | -145.6 | 5 | 114.2 | ||
| 277 | P | 65.2 | Low | 57.8 | Low | 120 Ų | 120 | 161.3 Ų | 161.3 | 78% | 0.779 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -87.4 | 141.7 | 160.1 | -8.9 | 27.5 | 0 | 0 | 0 | 112 | ||
| 278 | Q | 57.2 | Low | 57.7 | Low | 196 Ų | 196 | 164 Ų | 164 | 92% | 0.916 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 147.5 | 168.8 | -70.4 | -166 | 28.6 | 0 | 0 | 110.9 | ||
| 279 | E | 57.7 | Low | 58.5 | Low | 184 Ų | 184 | 162.8 Ų | 162.8 | 86% | 0.86 | 85% | 0.85 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 143.2 | 167.8 | -160.3 | -178.5 | 120.8 | 0 | 0 | 109.2 | ||
| 280 | P | 69.3 | Low | 58.6 | Low | 115 Ų | 115 | 167 Ų | 167 | 75% | 0.747 | 86% | 0.86 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 135 | 178.5 | 34.4 | -28 | 0 | 0 | 0 | 113.8 | ||
| 281 | R | 54.4 | Low | 59.5 | Low | 325 Ų | 325 | 172.1 Ų | 172.1 | 100% | 1.226 | 87% | 0.867 | S | S | * | * | trans | 67.9 | 0 | 158 | -95.2 | -170.7 | 178.9 | -132.3 | 0.9 | 120.7 |
Retrieved 281 of 281 residues in 82.6 ms
(Link to these results)