| 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 | 40.3 | Very low | 53 | Low | 248 Ų | 248 | 139.7 Ų | 139.7 | 100% | 1.222 | 82% | 0.816 | S | S | * | * | 0 | 113.4 | 0 | -80 | -165.9 | 150.9 | 0 | 0 | 107.6 | |||||
| 2 | A | 46.6 | Very low | 53.1 | Low | 107 Ų | 107 | 146.8 Ų | 146.8 | 88% | 0.884 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -90.7 | 138.7 | -177.3 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||
| 3 | L | 55.3 | Low | 53.1 | Low | 162 Ų | 162 | 143.3 Ų | 143.3 | 85% | 0.848 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 147.8 | 178.3 | -70 | 164.3 | 0 | 0 | 0 | 110.9 | ||
| 4 | P | 55.6 | Low | 53 | Low | 111 Ų | 111 | 144.6 Ų | 144.6 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 142.4 | 176.8 | 28.4 | -33.1 | 0 | 0 | 0 | 110.9 | ||
| 5 | P | 60.2 | Low | 53 | Low | 126 Ų | 126 | 145.8 Ų | 145.8 | 82% | 0.818 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -66 | 136.1 | 177.7 | 26.9 | -32.5 | 0 | 0 | 0 | 110.8 | ||
| 6 | S | 52.5 | Low | 52.9 | Low | 80 Ų | 80 | 146.9 Ų | 146.9 | 56% | 0.559 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 131.9 | 176.9 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | L8 | S6-L8 PolarHBondContact O-N 3.25Å; S6-L8 VanDerWaalsContact O-N 3.07Å |
| 7 | P | 56.5 | Low | 53.6 | Low | 136 Ų | 136 | 143.4 Ų | 143.4 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.8 | 10.3 | -178.3 | 31.3 | -34.9 | 0 | 0 | 0 | 114.2 | ||
| 8 | L | 50.8 | Low | 53.9 | Low | 157 Ų | 157 | 142.3 Ų | 142.3 | 82% | 0.822 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 6.6 | 178.8 | -87 | 161.9 | 0 | 0 | 0 | 113.9 | S6 M10 | S6-L8 PolarHBondContact O-N 3.25Å; S6-L8 VanDerWaalsContact O-N 3.07Å; L8-M10 PolarHBondContact O-N 3.26Å |
| 9 | A | 55.3 | Low | 54 | Low | 73 Ų | 73 | 143.8 Ų | 143.8 | 60% | 0.603 | 78% | 0.783 | S | S | * | * | trans | -70.5 | 101.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | E11 | A9-E11 VanDerWaalsContact C-N 3.33Å; A9-E11 PolarHBondContact O-N 3.49Å | ||
| 10 | M | 51.2 | Low | 54.2 | Low | 158 Ų | 158 | 145.1 Ų | 145.1 | 78% | 0.778 | 78% | 0.78 | S | S | * | * | trans | -63.4 | 91.7 | 168.6 | -108.5 | -153.8 | -65.2 | 0 | 0 | 109.2 | L8 Y12 V13 | L8-M10 PolarHBondContact O-N 3.26Å; M10-Y12 PolarHBondContact O-N 2.96Å; M10-V13 HydrophobicContact SD-CG2 4.25Å | ||
| 11 | E | 58.5 | Low | 53.8 | Low | 179 Ų | 179 | 145.4 Ų | 145.4 | 84% | 0.836 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 27 | 175.9 | -74.9 | -173.1 | 155.1 | 0 | 0 | 114 | A9 | A9-E11 VanDerWaalsContact C-N 3.33Å; A9-E11 PolarHBondContact O-N 3.49Å |
| 12 | Y | 54.7 | Low | 54.4 | Low | 225 Ų | 225 | 142.8 Ų | 142.8 | 88% | 0.882 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.8 | 27.3 | -173.1 | -102.4 | -82.3 | 0 | 0 | 0 | 115.2 | M10 | M10-Y12 PolarHBondContact O-N 2.96Š|
| 13 | V | 53.5 | Low | 54.5 | Low | 101 Ų | 101 | 143.6 Ų | 143.6 | 61% | 0.612 | 75% | 0.753 | S | S | * | * | S | Bend | trans | -133.1 | 3.3 | 177.9 | -153.9 | 0 | 0 | 0 | 0 | 114.4 | M10 | M10-V13 HydrophobicContact SD-CG2 4.25Š|
| 14 | N | 51.2 | Low | 54.1 | Low | 162 Ų | 162 | 144.5 Ų | 144.5 | 87% | 0.866 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -99.2 | -5.6 | -175.1 | -86.6 | -18.5 | 0 | 0 | 0 | 116.7 | ||
| 15 | D | 53.5 | Low | 53.8 | Low | 162 Ų | 162 | 150.3 Ų | 150.3 | 87% | 0.866 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -112.5 | 4.3 | -176.1 | -81.1 | -4.1 | 0 | 0 | 0 | 115.1 | D17 | D15-D17 VanDerWaalsContact C-N 3.28Å; D15-D17 PolarHBondContact O-N 3.47Å; D15-D17 VanDerWaalsContact O-N 3.08Å |
| 16 | F | 51.4 | Low | 52.9 | Low | 164 Ų | 164 | 151.4 Ų | 151.4 | 72% | 0.719 | 75% | 0.753 | S | S | * | * | trans | -86.3 | 76.2 | 170.7 | -141.1 | -89.7 | 0 | 0 | 0 | 109.3 | L18 | F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 HydrophobicContact CD1-CD1 3.69Å; F16-L18 HydrophobicContact CD1-CG 4.02Å; F16-L18 HydrophobicContact CE1-CD1 4.46Å; F16-L18 HydrophobicContact CE1-CG 4.38Å; F16-L18 WeakPolarHBondContact O-CD1 3.31Å; F16-L18 PolarHBondContact O-N 3.4Å | ||
| 17 | D | 64.1 | Low | 52.3 | Low | 87 Ų | 87 | 153 Ų | 153 | 47% | 0.465 | 76% | 0.761 | S | S | . | * | trans | -71.2 | 88.8 | 171.8 | -172.5 | 7.3 | 0 | 0 | 0 | 109.2 | D15 M19 K20 | D15-D17 VanDerWaalsContact C-N 3.28Å; D15-D17 PolarHBondContact O-N 3.47Å; D15-D17 VanDerWaalsContact O-N 3.08Å; D17-M19 PolarHBondContact O-N 3.08Å; D17-M19 VanDerWaalsContact OD1-CB 3.23Å; D17-M19 WeakPolarHBondContact OD1-CB 3.47Å; D17-M19 PolarHBondContact OD1-N 3.18Å; D17-M19 VanDerWaalsContact OD1-N 3.09Å; D17-K20 PolarHBondContact O-N 3.48Å; D17-K20 VanDerWaalsContact O-N 3.09Å | ||
| 18 | L | 58.8 | Low | 51.5 | Low | 124 Ų | 124 | 152.2 Ų | 152.2 | 65% | 0.649 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -58.6 | -12.6 | 173.9 | -82.3 | 95.6 | 0 | 0 | 0 | 112.4 | F16 K20 | F16-L18 VanDerWaalsContact C-N 3.32Å; F16-L18 HydrophobicContact CD1-CD1 3.69Å; F16-L18 HydrophobicContact CD1-CG 4.02Å; F16-L18 HydrophobicContact CE1-CD1 4.46Å; F16-L18 HydrophobicContact CE1-CG 4.38Å; F16-L18 WeakPolarHBondContact O-CD1 3.31Å; F16-L18 PolarHBondContact O-N 3.4Å; L18-K20 VanDerWaalsContact C-N 3.28Å; L18-K20 PolarHBondContact O-N 3.34Å |
| 19 | M | 56.4 | Low | 51.1 | Low | 170 Ų | 170 | 154.1 Ų | 154.1 | 84% | 0.837 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -84.3 | 0 | 177.8 | -56.5 | -71.9 | -75.6 | 0 | 0 | 113.1 | D17 | D17-M19 PolarHBondContact O-N 3.08Å; D17-M19 VanDerWaalsContact OD1-CB 3.23Å; D17-M19 WeakPolarHBondContact OD1-CB 3.47Å; D17-M19 PolarHBondContact OD1-N 3.18Å; D17-M19 VanDerWaalsContact OD1-N 3.09Å |
| 20 | K | 57.7 | Low | 50.2 | Low | 169 Ų | 169 | 154.1 Ų | 154.1 | 74% | 0.735 | 77% | 0.77 | S | S | * | * | G | 310 helix | trans | -98.3 | 21.7 | 178.9 | -102.7 | -173.8 | -176.1 | -130 | 0 | 115.6 | D17 L18 E22 | D17-K20 PolarHBondContact O-N 3.48Å; D17-K20 VanDerWaalsContact O-N 3.09Å; L18-K20 VanDerWaalsContact C-N 3.28Å; L18-K20 PolarHBondContact O-N 3.34Å; K20-E22 PolarHBondContact O-N 3.31Å |
| 21 | F | 45.2 | Very low | 49.5 | Very low | 152 Ų | 152 | 158.3 Ų | 158.3 | 67% | 0.667 | 78% | 0.777 | S | S | * | * | trans | -83.5 | 99.1 | 160.8 | -69.1 | -79.1 | 0 | 0 | 0 | 108.7 | V23 | F21-V23 PolarHBondContact O-N 3.25Š| ||
| 22 | E | 52.4 | Low | 48.7 | Very low | 193 Ų | 193 | 155.7 Ų | 155.7 | 90% | 0.902 | 78% | 0.776 | S | S | * | * | trans | -61.8 | 93.7 | 161 | -71.9 | -175 | 176.1 | 0 | 0 | 108 | K20 K24 | K20-E22 PolarHBondContact O-N 3.31Å; E22-K24 VanDerWaalsContact C-N 3.29Å; E22-K24 PolarHBondContact O-N 3.46Å | ||
| 23 | V | 50.6 | Low | 48 | Very low | 124 Ų | 124 | 148.3 Ų | 148.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -65.9 | 98.2 | 164.4 | 176.5 | 0 | 0 | 0 | 0 | 105.8 | F21 R25 | F21-V23 PolarHBondContact O-N 3.25Å; V23-R25 VanDerWaalsContact C-N 3.31Å; V23-R25 PolarHBondContact O-N 3.36Å | ||
| 24 | K | 45.1 | Very low | 47.6 | Very low | 182 Ų | 182 | 149.2 Ų | 149.2 | 79% | 0.791 | 78% | 0.776 | S | S | * | * | trans | -59.7 | 95.1 | 171.5 | -165 | 171.8 | -177.2 | 176.5 | 0 | 108.3 | E22 E26 | E22-K24 VanDerWaalsContact C-N 3.29Å; E22-K24 PolarHBondContact O-N 3.46Å; K24-E26 PolarHBondContact O-N 3.45Å | ||
| 25 | R | 51 | Low | 47.5 | Very low | 232 Ų | 232 | 147.8 Ų | 147.8 | 88% | 0.875 | 78% | 0.776 | S | S | * | * | trans | -77 | 115.7 | 169.7 | -101.9 | -164.9 | 171.8 | -164.4 | -0.9 | 108.2 | V23 | V23-R25 VanDerWaalsContact C-N 3.31Å; V23-R25 PolarHBondContact O-N 3.36Å | ||
| 26 | E | 41.6 | Very low | 46.9 | Very low | 150 Ų | 150 | 146.8 Ų | 146.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | trans | -62.9 | 145.3 | 163.2 | -70.2 | -69.7 | 141 | 0 | 0 | 109.9 | K24 S28 | K24-E26 PolarHBondContact O-N 3.45Å; E26-S28 PolarHBondContact O-N 3.47Å | ||
| 27 | P | 39.5 | Very low | 46.4 | Very low | 114 Ų | 114 | 143.2 Ų | 143.2 | 74% | 0.74 | 78% | 0.777 | S | S | * | * | trans | -80.1 | 116.1 | -177.8 | 31.4 | -30.1 | 0 | 0 | 0 | 110.3 | ||||
| 28 | S | 39.8 | Very low | 45.4 | Very low | 119 Ų | 119 | 144.2 Ų | 144.2 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | trans | -89.6 | 105.7 | 163.2 | 60.3 | 0 | 0 | 0 | 0 | 109 | E26 | E26-S28 PolarHBondContact O-N 3.47Š| ||
| 29 | E | 41.2 | Very low | 44.8 | Very low | 197 Ų | 197 | 146.9 Ų | 146.9 | 92% | 0.921 | 80% | 0.804 | S | S | * | * | trans | -66.6 | 136.9 | 162.2 | -66 | -160.8 | 149 | 0 | 0 | 110.1 | ||||
| 30 | G | 36 | Very low | 44 | Very low | 72 Ų | 72 | 142.3 Ų | 142.3 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | trans | 139.2 | 79.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 31 | R | 37.8 | Very low | 43 | Very low | 246 Ų | 246 | 139.9 Ų | 139.9 | 93% | 0.928 | 81% | 0.805 | S | S | * | * | trans | 72.6 | 142.7 | 137 | -150.3 | 163.7 | -165.8 | -155.2 | 1.5 | 121.1 | ||||
| 32 | P | 41.8 | Very low | 43 | Very low | 125 Ų | 125 | 139.4 Ų | 139.4 | 81% | 0.812 | 82% | 0.815 | S | S | * | * | trans | -96.4 | 145.8 | -171.6 | 36.9 | -30.7 | 0 | 0 | 0 | 114.1 | ||||
| 33 | G | 40.3 | Very low | 43 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 81% | 0.808 | S | S | * | * | trans | -165.2 | 145.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 34 | P | 45.3 | Very low | 42.5 | Very low | 121 Ų | 121 | 139.8 Ų | 139.8 | 79% | 0.786 | 81% | 0.811 | S | S | * | * | trans | -85.9 | 166.2 | -165.6 | 36.6 | -35.8 | 0 | 0 | 0 | 113.6 | ||||
| 35 | P | 48.8 | Very low | 42.4 | Very low | 132 Ų | 132 | 136.1 Ų | 136.1 | 86% | 0.857 | 81% | 0.808 | S | S | * | * | trans | -84.8 | 135.5 | -161.4 | 33.8 | -32 | 0 | 0 | 0 | 112.2 | ||||
| 36 | T | 40.8 | Very low | 42.2 | Very low | 140 Ų | 140 | 129 Ų | 129 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -111.5 | 135.9 | 166 | 55.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 37 | A | 39.5 | Very low | 42.9 | Very low | 90 Ų | 90 | 127 Ų | 127 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | trans | -72.1 | 155.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 38 | S | 43 | Very low | 43.6 | Very low | 108 Ų | 108 | 126.7 Ų | 126.7 | 76% | 0.755 | 79% | 0.79 | S | S | * | * | trans | 76.5 | 112.2 | 153.4 | -57.3 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 39 | L | 47.8 | Very low | 44 | Very low | 179 Ų | 179 | 127 Ų | 127 | 94% | 0.937 | 79% | 0.789 | S | S | * | * | 157.4 | 110.7 | 110 | -78.7 | 175.9 | 0 | 0 | 0 | 108.4 | |||||
| 40 | G | 38.2 | Very low | 44.4 | Very low | 74 Ų | 74 | 122.6 Ų | 122.6 | 76% | 0.763 | 78% | 0.78 | S | S | * | * | trans | -154 | 85.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 41 | S | 38.4 | Very low | 45 | Very low | 119 Ų | 119 | 125.1 Ų | 125.1 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | trans | -47 | 130.3 | 168.3 | -4.1 | 0 | 0 | 0 | 0 | 111.5 | P43 | S41-P43 VanDerWaalsContact O-CD 3.32Å; S41-P43 WeakPolarHBondContact O-CD 3.5Å | ||
| 42 | T | 45.1 | Very low | 45.4 | Very low | 142 Ų | 142 | 119.5 Ų | 119.5 | 87% | 0.871 | 78% | 0.776 | S | S | * | * | trans | -94.2 | 108.7 | 164.5 | 36.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 43 | P | 51.7 | Low | 45.2 | Very low | 117 Ų | 117 | 123.1 Ų | 123.1 | 76% | 0.76 | 78% | 0.78 | S | S | * | * | trans | -87.2 | 125.1 | 165.4 | 32.7 | -26.1 | 0 | 0 | 0 | 109.4 | S41 | S41-P43 VanDerWaalsContact O-CD 3.32Å; S41-P43 WeakPolarHBondContact O-CD 3.5Å | ||
| 44 | Y | 40.9 | Very low | 45.2 | Very low | 207 Ų | 207 | 124.6 Ų | 124.6 | 81% | 0.812 | 78% | 0.779 | S | S | * | * | trans | 65.1 | 79 | 146.4 | -146.7 | -112.6 | 0 | 0 | 0 | 118 | S46 | Y44-S46 VanDerWaalsContact CD1-OG 3.24Å; Y44-S46 WeakPolarHBondContact CD1-OG 3.36Å; Y44-S46 WeakPolarHBondContact CE1-OG 3.48Å; Y44-S46 PolarHBondContact O-N 2.96Å | ||
| 45 | S | 41.7 | Very low | 45 | Very low | 105 Ų | 105 | 127.3 Ų | 127.3 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | trans | -79.5 | 98.4 | 156.4 | -175.5 | 0 | 0 | 0 | 0 | 108.9 | V47 | S45-V47 PolarHBondContact O-N 2.87Å; S45-V47 VanDerWaalsContact O-N 3.12Å | ||
| 46 | S | 47.7 | Very low | 45.1 | Very low | 82 Ų | 82 | 127 Ų | 127 | 57% | 0.573 | 78% | 0.779 | S | S | * | * | trans | -81.1 | 70.7 | 166.8 | -74.7 | 0 | 0 | 0 | 0 | 110.5 | Y44 | Y44-S46 VanDerWaalsContact CD1-OG 3.24Å; Y44-S46 WeakPolarHBondContact CD1-OG 3.36Å; Y44-S46 WeakPolarHBondContact CE1-OG 3.48Å; Y44-S46 PolarHBondContact O-N 2.96Å | ||
| 47 | V | 54.9 | Low | 45 | Very low | 108 Ų | 108 | 123.6 Ų | 123.6 | 66% | 0.655 | 77% | 0.773 | S | S | * | * | trans | -124.5 | 114.7 | 162.7 | -162.1 | 0 | 0 | 0 | 0 | 105.8 | S45 | S45-V47 PolarHBondContact O-N 2.87Å; S45-V47 VanDerWaalsContact O-N 3.12Å | ||
| 48 | P | 54.9 | Low | 45.2 | Very low | 109 Ų | 109 | 128 Ų | 128 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 142.1 | 174.7 | 26.9 | -32.4 | 0 | 0 | 0 | 108.5 | S50 | P48-S50 PolarHBondContact O-N 3.28Š|
| 49 | P | 48.4 | Very low | 44.9 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 81% | 0.805 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 131.4 | 176.2 | 25 | -31.6 | 0 | 0 | 0 | 109.2 | ||
| 50 | S | 48.8 | Very low | 44.3 | Very low | 105 Ų | 105 | 125 Ų | 125 | 73% | 0.734 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 140.9 | 173.1 | -56.9 | 0 | 0 | 0 | 0 | 110.3 | P48 T52 | P48-S50 PolarHBondContact O-N 3.28Å; S50-T52 PolarHBondContact O-N 3.32Å |
| 51 | P | 50.1 | Low | 44 | Very low | 125 Ų | 125 | 126.2 Ų | 126.2 | 81% | 0.812 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 124.4 | 179.7 | 26.6 | -32.4 | 0 | 0 | 0 | 109.5 | F53 | P51-F53 PolarHBondContact O-N 3.25Š|
| 52 | T | 45.5 | Very low | 44.2 | Very low | 128 Ų | 128 | 126.7 Ų | 126.7 | 79% | 0.785 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -66.6 | 120.9 | 170.6 | -48.3 | 0 | 0 | 0 | 0 | 108.4 | S50 S54 | S50-T52 PolarHBondContact O-N 3.32Å; T52-S54 PolarHBondContact O-N 3.34Å; T52-S54 VanDerWaalsContact O-N 3.12Å |
| 53 | F | 36.9 | Very low | 43.9 | Very low | 201 Ų | 201 | 128.7 Ų | 128.7 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | -75.6 | 94.8 | 173.6 | -141.5 | -93.7 | 0 | 0 | 0 | 107.8 | P51 | P51-F53 PolarHBondContact O-N 3.25Š| ||
| 54 | S | 40.9 | Very low | 43.9 | Very low | 100 Ų | 100 | 126.7 Ų | 126.7 | 70% | 0.699 | 78% | 0.781 | S | S | * | * | trans | -81.7 | 114.7 | 165.7 | -64.9 | 0 | 0 | 0 | 0 | 108.5 | T52 | T52-S54 PolarHBondContact O-N 3.34Å; T52-S54 VanDerWaalsContact O-N 3.12Å | ||
| 55 | E | 41.9 | Very low | 44 | Very low | 179 Ų | 179 | 123.9 Ų | 123.9 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -58.4 | 134.9 | 163 | -77.5 | -168.7 | 139 | 0 | 0 | 110.2 | ||||
| 56 | P | 50.7 | Low | 44.8 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 81% | 0.805 | 79% | 0.79 | S | S | * | * | trans | -95.5 | 115 | 153.8 | 28 | -15.2 | 0 | 0 | 0 | 108.9 | ||||
| 57 | G | 37.2 | Very low | 45.4 | Very low | 70 Ų | 70 | 128.6 Ų | 128.6 | 72% | 0.722 | 78% | 0.784 | S | S | * | * | trans | -59.9 | 132.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 58 | M | 44.5 | Very low | 46.6 | Very low | 183 Ų | 183 | 125.3 Ų | 125.3 | 90% | 0.901 | 77% | 0.772 | S | S | * | * | trans | 14 | 111.4 | 147.2 | -163.2 | 158.4 | 80.2 | 0 | 0 | 118.9 | ||||
| 59 | V | 36.1 | Very low | 47.8 | Very low | 142 Ų | 142 | 127.4 Ų | 127.4 | 86% | 0.861 | 78% | 0.777 | S | S | * | * | trans | -165.3 | 131.1 | 133 | -104.8 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 60 | G | 36 | Very low | 49.1 | Very low | 81 Ų | 81 | 129.4 Ų | 129.4 | 84% | 0.835 | 78% | 0.775 | S | S | * | * | trans | -75.3 | 150.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 61 | A | 31.6 | Very low | 50.7 | Low | 100 Ų | 100 | 129.7 Ų | 129.7 | 83% | 0.826 | 77% | 0.765 | S | S | * | * | trans | -174.4 | 146.9 | 137.9 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 62 | T | 42.2 | Very low | 52.4 | Low | 129 Ų | 129 | 128 Ų | 128 | 79% | 0.791 | 75% | 0.749 | S | S | * | * | trans | -54.8 | 133.8 | 176.4 | 50.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 63 | E | 39 | Very low | 54.2 | Low | 183 Ų | 183 | 130 Ų | 130 | 86% | 0.855 | 74% | 0.743 | S | S | * | * | 158 | 125.7 | 128.8 | -87.8 | -178.6 | 167.3 | 0 | 0 | 111.2 | |||||
| 64 | G | 52.5 | Low | 56.6 | Low | 75 Ų | 75 | 128.5 Ų | 128.5 | 77% | 0.773 | 73% | 0.732 | S | S | * | * | trans | 57.8 | 69.7 | 155.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | R66 | G64-R66 PolarHBondContact O-N 3.2Å; G64-R66 VanDerWaalsContact O-N 3.07Å | ||
| 65 | T | 43.6 | Very low | 58.8 | Low | 148 Ų | 148 | 128.2 Ų | 128.2 | 91% | 0.908 | 72% | 0.722 | S | S | * | * | trans | -81.6 | 100.1 | 173.8 | -42.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 66 | R | 57.2 | Low | 60.7 | Low | 217 Ų | 217 | 122.2 Ų | 122.2 | 82% | 0.819 | 70% | 0.703 | S | S | * | * | trans | -25.3 | 146.4 | 156.9 | -69.4 | 172 | 155.7 | 142.1 | -4.4 | 113.7 | G64 G68 | G64-R66 PolarHBondContact O-N 3.2Å; G64-R66 VanDerWaalsContact O-N 3.07Å; R66-G68 PolarHBondContact O-N 3.31Å | ||
| 67 | P | 60 | Low | 62 | Low | 69 Ų | 69 | 118.7 Ų | 118.7 | 45% | 0.448 | 68% | 0.679 | S | S | . | * | trans | -48.8 | 131.8 | 171.5 | -22.3 | 31.2 | 0 | 0 | 0 | 109.9 | E71 L72 | P67-E71 HydrophobicContact CB-CB 4.31Å; P67-E71 HydrophobicContact CB-CG 4.41Å; P67-L72 HydrophobicContact CB-CD2 4.18Å; P67-L72 HydrophobicContact CB-CG 4.23Å | ||
| 68 | G | 80.8 | Confident | 64 | Low | 40 Ų | 40 | 118.9 Ų | 118.9 | 41% | 0.412 | 66% | 0.663 | S | S | . | * | trans | -55.5 | 149.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | R66 E70 E71 L72 | R66-G68 PolarHBondContact O-N 3.31Å; G68-E70 PolarHBondContact O-N 3.3Å; G68-E71 WeakPolarHBondContact O-CA 3.49Å; G68-E71 WeakPolarHBondContact O-CB 3.29Å; G68-E71 PolarHBondContact O-N 2.89Å; G68-L72 PolarHBondContact O-N 2.88Å; G68-L72 VanDerWaalsContact O-N 3.07Å | ||
| 69 | L | 79.6 | Confident | 65.6 | Low | 153 Ų | 153 | 117.2 Ų | 117.2 | 80% | 0.801 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -51.5 | -34.1 | 180 | -177.5 | 65.5 | 0 | 0 | 0 | 112.6 | Y73 | L69-Y73 PolarHBondContact O-N 3.35Å |
| 70 | E | 75.3 | Confident | 67.4 | Low | 166 Ų | 166 | 118.8 Ų | 118.8 | 78% | 0.776 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.7 | -40 | 174.7 | -171 | -173.7 | -175.3 | 0 | 0 | 112.9 | G68 Y73 W74 | G68-E70 PolarHBondContact O-N 3.3Å; E70-Y73 WeakPolarHBondContact O-CB 3.44Å; E70-Y73 PolarHBondContact O-N 3.24Å; E70-W74 WeakPolarHBondContact O-CB 3.36Å; E70-W74 PolarHBondContact O-N 2.98Å |
| 71 | E | 83.3 | Confident | 68.8 | Low | 111 Ų | 111 | 122.6 Ų | 122.6 | 52% | 0.519 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.6 | -37.7 | 179.3 | -164.7 | 169.9 | -159.3 | 0 | 0 | 111 | P67 G68 W74 L75 | P67-E71 HydrophobicContact CB-CB 4.31Å; P67-E71 HydrophobicContact CB-CG 4.41Å; G68-E71 WeakPolarHBondContact O-CA 3.49Å; G68-E71 WeakPolarHBondContact O-CB 3.29Å; G68-E71 PolarHBondContact O-N 2.89Å; E71-W74 PolarHBondContact O-N 3.31Å; E71-L75 WeakPolarHBondContact O-CB 3.27Å; E71-L75 VanDerWaalsContact O-CG 3.31Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 3.26Å |
| 72 | L | 86.4 | Confident | 70.2 | Confident | 90 Ų | 90 | 124.4 Ų | 124.4 | 47% | 0.471 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -63.7 | -42.1 | 170.4 | -67.8 | 174.7 | 0 | 0 | 0 | 112 | P67 G68 W74 L75 A76 | P67-L72 HydrophobicContact CB-CD2 4.18Å; P67-L72 HydrophobicContact CB-CG 4.23Å; G68-L72 PolarHBondContact O-N 2.88Å; G68-L72 VanDerWaalsContact O-N 3.07Å; L72-W74 VanDerWaalsContact C-N 3.33Å; L72-W74 PolarHBondContact O-N 2.95Å; L72-L75 PolarHBondContact O-N 3.07Å; L72-A76 WeakPolarHBondContact O-CB 3.41Å; L72-A76 PolarHBondContact O-N 3.34Å |
| 73 | Y | 83.5 | Confident | 70.5 | Confident | 168 Ų | 168 | 121 Ų | 121 | 66% | 0.659 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.2 | -40.2 | 175.2 | 178.2 | -102.4 | 0 | 0 | 0 | 111.8 | L69 E70 A76 T77 | L69-Y73 PolarHBondContact O-N 3.35Å; E70-Y73 WeakPolarHBondContact O-CB 3.44Å; E70-Y73 PolarHBondContact O-N 3.24Å; Y73-A76 PolarHBondContact O-N 3.44Å; Y73-T77 WeakPolarHBondContact O-CB 3.43Å; Y73-T77 PolarHBondContact O-N 3.3Å; Y73-T77 PolarHBondContact O-OG1 3.34Å |
| 74 | W | 86.3 | Confident | 70.8 | Confident | 170 Ų | 170 | 116.7 Ų | 116.7 | 64% | 0.644 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -63.7 | -46.9 | 176.1 | -176.1 | -117.5 | 0 | 0 | 0 | 112.2 | E70 E71 L72 T77 L78 | E70-W74 WeakPolarHBondContact O-CB 3.36Å; E70-W74 PolarHBondContact O-N 2.98Å; E71-W74 PolarHBondContact O-N 3.31Å; L72-W74 VanDerWaalsContact C-N 3.33Å; L72-W74 PolarHBondContact O-N 2.95Å; W74-T77 PolarHBondContact O-N 2.91Å; W74-L78 WeakPolarHBondContact O-CB 3.34Å; W74-L78 PolarHBondContact O-N 3.43Å |
| 75 | L | 88.4 | Confident | 70.5 | Confident | 95 Ų | 95 | 116.3 Ų | 116.3 | 50% | 0.497 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -62.2 | -42.5 | 176.1 | -73.1 | 169.2 | 0 | 0 | 0 | 112.2 | E71 L72 L78 Q79 | E71-L75 WeakPolarHBondContact O-CB 3.27Å; E71-L75 VanDerWaalsContact O-CG 3.31Å; E71-L75 WeakPolarHBondContact O-CG 3.49Å; E71-L75 PolarHBondContact O-N 3.26Å; L72-L75 PolarHBondContact O-N 3.07Å; L75-L78 WeakPolarHBondContact O-CB 3.46Å; L75-L78 PolarHBondContact O-N 3.42Å; L75-Q79 PolarHBondContact O-N 3.06Å |
| 76 | A | 79.8 | Confident | 70.5 | Confident | 53 Ų | 53 | 117.6 Ų | 117.6 | 44% | 0.438 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.8 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L72 Y73 L78 Q79 Q80 | L72-A76 WeakPolarHBondContact O-CB 3.41Å; L72-A76 PolarHBondContact O-N 3.34Å; Y73-A76 PolarHBondContact O-N 3.44Å; A76-L78 VanDerWaalsContact C-N 3.31Å; A76-L78 PolarHBondContact O-N 3.32Å; A76-Q79 PolarHBondContact O-N 3.47Å; A76-Q80 PolarHBondContact O-N 2.82Å |
| 77 | T | 79.9 | Confident | 69.7 | Low | 49 Ų | 49 | 112.2 Ų | 112.2 | 30% | 0.301 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -65.6 | -37.8 | 177.1 | -54.1 | 0 | 0 | 0 | 0 | 111.1 | Y73 W74 Q80 Q81 | Y73-T77 WeakPolarHBondContact O-CB 3.43Å; Y73-T77 PolarHBondContact O-N 3.3Å; Y73-T77 PolarHBondContact O-OG1 3.34Å; W74-T77 PolarHBondContact O-N 2.91Å; T77-Q80 PolarHBondContact O-N 2.83Å; T77-Q81 PolarHBondContact O-N 3.36Å; T77-Q81 VanDerWaalsContact O-N 3.1Å |
| 78 | L | 77.6 | Confident | 68.9 | Low | 74 Ų | 74 | 116.3 Ų | 116.3 | 39% | 0.387 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -64.1 | -43.9 | 175.7 | -162.2 | 74.5 | 0 | 0 | 0 | 111.3 | W74 L75 A76 Q80 Q81 L82 | W74-L78 WeakPolarHBondContact O-CB 3.34Å; W74-L78 PolarHBondContact O-N 3.43Å; L75-L78 WeakPolarHBondContact O-CB 3.46Å; L75-L78 PolarHBondContact O-N 3.42Å; A76-L78 VanDerWaalsContact C-N 3.31Å; A76-L78 PolarHBondContact O-N 3.32Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.48Å; L78-Q81 PolarHBondContact O-N 2.88Å; L78-Q81 VanDerWaalsContact O-N 3.16Å; L78-L82 HydrophobicContact CD1-CD1 4.12Å; L78-L82 HydrophobicContact CG-CD1 3.81Å; L78-L82 WeakPolarHBondContact O-CD1 3.44Å; L78-L82 PolarHBondContact O-N 3.26Å; L78-L82 VanDerWaalsContact O-N 3.17Å |
| 79 | Q | 78.6 | Confident | 67.3 | Low | 148 Ų | 148 | 118.3 Ų | 118.3 | 69% | 0.692 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -60.7 | -39.3 | 175.5 | -174.3 | 171 | 26 | 0 | 0 | 112.2 | L75 A76 Q81 | L75-Q79 PolarHBondContact O-N 3.06Å; A76-Q79 PolarHBondContact O-N 3.47Å; Q79-Q81 VanDerWaalsContact C-N 3.3Å; Q79-Q81 PolarHBondContact O-N 3.17Å |
| 80 | Q | 74.7 | Confident | 65.6 | Low | 175 Ų | 175 | 116 Ų | 116 | 82% | 0.818 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -68.9 | -29.3 | 177.6 | -171.1 | 138.6 | 88.1 | 0 | 0 | 112.8 | A76 T77 L78 | A76-Q80 PolarHBondContact O-N 2.82Å; T77-Q80 PolarHBondContact O-N 2.83Å; L78-Q80 VanDerWaalsContact C-N 3.3Å; L78-Q80 PolarHBondContact O-N 3.48Å |
| 81 | Q | 65.1 | Low | 64.8 | Low | 162 Ų | 162 | 110.7 Ų | 110.7 | 76% | 0.757 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.9 | -22.1 | -178 | -163.4 | 165.3 | 88.1 | 0 | 0 | 113.7 | T77 L78 Q79 | T77-Q81 PolarHBondContact O-N 3.36Å; T77-Q81 VanDerWaalsContact O-N 3.1Å; L78-Q81 PolarHBondContact O-N 2.88Å; L78-Q81 VanDerWaalsContact O-N 3.16Å; Q79-Q81 VanDerWaalsContact C-N 3.3Å; Q79-Q81 PolarHBondContact O-N 3.17Å |
| 82 | L | 60.8 | Low | 63.4 | Low | 137 Ų | 137 | 110.6 Ų | 110.6 | 72% | 0.717 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -94.8 | 5.9 | -179.1 | -86.3 | 124.7 | 0 | 0 | 0 | 115.1 | L78 | L78-L82 HydrophobicContact CD1-CD1 4.12Å; L78-L82 HydrophobicContact CG-CD1 3.81Å; L78-L82 WeakPolarHBondContact O-CD1 3.44Å; L78-L82 PolarHBondContact O-N 3.26Å; L78-L82 VanDerWaalsContact O-N 3.17Å |
| 83 | G | 48.7 | Very low | 62.1 | Low | 58 Ų | 58 | 113.4 Ų | 113.4 | 60% | 0.598 | 65% | 0.649 | S | S | * | * | trans | 79.1 | 99.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112.1 | G85 | G83-G85 PolarHBondContact O-N 3.07Š| ||
| 84 | A | 45.8 | Very low | 60.9 | Low | 93 Ų | 93 | 110.1 Ų | 110.1 | 77% | 0.769 | 64% | 0.64 | S | S | * | * | trans | -64 | 85.1 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 85 | G | 45.4 | Very low | 59.5 | Low | 67 Ų | 67 | 104.5 Ų | 104.5 | 69% | 0.691 | 63% | 0.63 | S | S | * | * | trans | -66.6 | 128.6 | 148.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | G83 | G83-G85 PolarHBondContact O-N 3.07Š| ||
| 86 | E | 43.9 | Very low | 57.9 | Low | 175 Ų | 175 | 105.6 Ų | 105.6 | 82% | 0.818 | 63% | 0.634 | S | S | * | * | trans | 75.3 | 90 | 169.5 | -62.6 | -176.1 | 149 | 0 | 0 | 118.2 | ||||
| 87 | A | 40.5 | Very low | 56.9 | Low | 103 Ų | 103 | 110.5 Ų | 110.5 | 85% | 0.851 | 65% | 0.647 | S | S | * | * | trans | -143.6 | 44.4 | 140.9 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 88 | L | 43.8 | Very low | 55.7 | Low | 155 Ų | 155 | 114.5 Ų | 114.5 | 81% | 0.812 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -105.1 | 106.2 | 148.5 | -70.8 | 175.1 | 0 | 0 | 0 | 104.4 | L90 | L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 2.96Å |
| 89 | G | 46.3 | Very low | 54.7 | Low | 83 Ų | 83 | 118.2 Ų | 118.2 | 86% | 0.856 | 69% | 0.686 | S | S | * | * | trans | -66.9 | 84.2 | -175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 90 | L | 43.5 | Very low | 53.3 | Low | 103 Ų | 103 | 118.7 Ų | 118.7 | 54% | 0.539 | 69% | 0.688 | S | S | . | * | trans | -123.6 | 127.5 | 166.9 | -63.7 | 176.7 | 0 | 0 | 0 | 107.5 | L88 E94 | L88-L90 VanDerWaalsContact C-N 3.28Å; L88-L90 PolarHBondContact O-N 2.96Å; L90-E94 WeakPolarHBondContact CA-OE2 3.42Å | ||
| 91 | S | 59.1 | Low | 52.2 | Low | 56 Ų | 56 | 113.4 Ų | 113.4 | 39% | 0.392 | 68% | 0.681 | S | S | . | * | trans | -63.7 | 145.7 | 177.3 | 177.3 | 0 | 0 | 0 | 0 | 109.9 | E93 E94 A95 | S91-E93 PolarHBondContact O-N 2.67Å; S91-E94 PolarHBondContact N-OE2 3.4Å; S91-E94 PolarHBondContact O-N 2.96Å; S91-A95 PolarHBondContact O-N 2.85Å | ||
| 92 | P | 53.8 | Low | 51.3 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 70% | 0.701 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -50.4 | -26.4 | 175.2 | -28.5 | 35.1 | 0 | 0 | 0 | 114.3 | ||
| 93 | E | 59.3 | Low | 50.5 | Low | 149 Ų | 149 | 110.4 Ų | 110.4 | 70% | 0.696 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -75.2 | -36 | 175.8 | -66.5 | -77.5 | 156.3 | 0 | 0 | 112.7 | S91 M96 E97 | S91-E93 PolarHBondContact O-N 2.67Å; E93-M96 WeakPolarHBondContact O-CB 3.32Å; E93-M96 PolarHBondContact O-N 3.11Å; E93-E97 PolarHBondContact O-N 3.37Å |
| 94 | E | 57.8 | Low | 50.2 | Low | 100 Ų | 100 | 113.8 Ų | 113.8 | 47% | 0.467 | 69% | 0.689 | S | S | . | * | H | α-helix | trans | -74.1 | -31.2 | -179 | -67.6 | 171 | 147.8 | 0 | 0 | 112.1 | L90 S91 M96 E97 | L90-E94 WeakPolarHBondContact CA-OE2 3.42Å; S91-E94 PolarHBondContact N-OE2 3.4Å; S91-E94 PolarHBondContact O-N 2.96Å; E94-M96 VanDerWaalsContact C-N 3.25Å; E94-M96 PolarHBondContact O-N 3.43Å; E94-E97 PolarHBondContact O-N 3.19Å |
| 95 | A | 55.9 | Low | 50 | Low | 52 Ų | 52 | 115.6 Ų | 115.6 | 43% | 0.43 | 69% | 0.69 | S | S | . | * | H | α-helix | trans | -69.2 | -25.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | S91 | S91-A95 PolarHBondContact O-N 2.85Å |
| 96 | M | 56.4 | Low | 50.4 | Low | 117 Ų | 117 | 117.9 Ų | 117.9 | 58% | 0.576 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -76.9 | -31.6 | 179.1 | -149.5 | 173.4 | -176.3 | 0 | 0 | 111.8 | E93 E94 L99 Q100 | E93-M96 WeakPolarHBondContact O-CB 3.32Å; E93-M96 PolarHBondContact O-N 3.11Å; E94-M96 VanDerWaalsContact C-N 3.25Å; E94-M96 PolarHBondContact O-N 3.43Å; M96-L99 PolarHBondContact O-N 3.38Å; M96-Q100 PolarHBondContact O-N 2.99Å |
| 97 | E | 58.3 | Low | 50.3 | Low | 156 Ų | 156 | 116 Ų | 116 | 73% | 0.729 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -72.5 | -32.3 | 178 | -154.7 | 174.8 | -179.7 | 0 | 0 | 112.4 | E93 E94 L99 | E93-E97 PolarHBondContact O-N 3.37Å; E94-E97 PolarHBondContact O-N 3.19Å; E97-L99 VanDerWaalsContact C-N 3.33Å |
| 98 | L | 55.1 | Low | 50.5 | Low | 134 Ų | 134 | 119.2 Ų | 119.2 | 70% | 0.702 | 70% | 0.696 | S | S | * | * | H | α-helix | trans | -70.8 | -25.6 | 172.6 | -95.8 | 156.3 | 0 | 0 | 0 | 113.5 | ||
| 99 | L | 55.5 | Low | 50.1 | Low | 151 Ų | 151 | 115 Ų | 115 | 79% | 0.791 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -82.5 | -22.4 | 178.7 | -124.4 | 83.9 | 0 | 0 | 0 | 113.2 | M96 E97 | M96-L99 PolarHBondContact O-N 3.38Å; E97-L99 VanDerWaalsContact C-N 3.33Å |
| 100 | Q | 49.6 | Very low | 50.2 | Low | 158 Ų | 158 | 117 Ų | 117 | 74% | 0.738 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -91.5 | -2.1 | -174.4 | -78.4 | -178.5 | -25.1 | 0 | 0 | 114.8 | M96 | M96-Q100 PolarHBondContact O-N 2.99Š|
| 101 | G | 52 | Low | 50.5 | Low | 65 Ų | 65 | 120.7 Ų | 120.7 | 67% | 0.67 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -95.9 | 1.1 | -176.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||
| 102 | Q | 45.3 | Very low | 49.6 | Very low | 181 Ų | 181 | 122 Ų | 122 | 85% | 0.846 | 73% | 0.725 | S | S | * | * | trans | -105.2 | 83.4 | -179.6 | -68.3 | -169.5 | -10.4 | 0 | 0 | 111.5 | ||||
| 103 | G | 44 | Very low | 49.1 | Very low | 55 Ų | 55 | 125.7 Ų | 125.7 | 57% | 0.567 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 154.8 | 161.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V105 | G103-V105 PolarHBondContact O-N 3.24Š|
| 104 | P | 43.6 | Very low | 48.5 | Very low | 128 Ų | 128 | 129.4 Ų | 129.4 | 83% | 0.831 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 122.2 | -179.9 | 27.2 | -32.4 | 0 | 0 | 0 | 109.6 | P106 | P104-P106 VanDerWaalsContact O-CD 3.31Å; P104-P106 WeakPolarHBondContact O-CD 3.48Å |
| 105 | V | 41.1 | Very low | 48.3 | Very low | 131 Ų | 131 | 128.6 Ų | 128.6 | 79% | 0.794 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -78.6 | 118.9 | 171.7 | -175.3 | 0 | 0 | 0 | 0 | 108.3 | G103 | G103-V105 PolarHBondContact O-N 3.24Š|
| 106 | P | 54.3 | Low | 47.8 | Very low | 116 Ų | 116 | 129.5 Ų | 129.5 | 75% | 0.753 | 75% | 0.753 | S | S | * | * | trans | -99.9 | 110.4 | 165.9 | 31.9 | -17 | 0 | 0 | 0 | 108.3 | P104 | P104-P106 VanDerWaalsContact O-CD 3.31Å; P104-P106 WeakPolarHBondContact O-CD 3.48Å | ||
| 107 | V | 39.9 | Very low | 47.1 | Very low | 134 Ų | 134 | 126.8 Ų | 126.8 | 81% | 0.812 | 75% | 0.746 | S | S | * | * | trans | -140.3 | 117.1 | 160.9 | 153 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 108 | D | 45.4 | Very low | 47 | Very low | 171 Ų | 171 | 124.6 Ų | 124.6 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | trans | -47.4 | 139.9 | 165.8 | -80.1 | -53.4 | 0 | 0 | 0 | 113.4 | ||||
| 109 | G | 35.7 | Very low | 46.7 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 75% | 0.748 | S | S | * | * | trans | -152.1 | 129.7 | 162.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 110 | P | 49 | Very low | 46.5 | Very low | 126 Ų | 126 | 125.3 Ų | 125.3 | 82% | 0.818 | 74% | 0.741 | S | S | * | * | trans | -81 | 137.1 | -162.2 | 1.7 | 15 | 0 | 0 | 0 | 113.3 | ||||
| 111 | H | 49.5 | Very low | 46.8 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 83% | 0.833 | 74% | 0.735 | S | S | * | * | trans | 38.3 | 101.9 | 150.1 | -85.7 | -65.5 | 0 | 0 | 0 | 119.5 | ||||
| 112 | G | 39.9 | Very low | 46.9 | Very low | 84 Ų | 84 | 121.3 Ų | 121.3 | 87% | 0.866 | 72% | 0.722 | S | S | * | * | trans | -138.2 | 62.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | Y114 | G112-Y114 PolarHBondContact O-N 3.31Š| ||
| 113 | Y | 43.4 | Very low | 47.4 | Very low | 185 Ų | 185 | 115.1 Ų | 115.1 | 73% | 0.725 | 70% | 0.701 | S | S | * | * | trans | -75.9 | 105.5 | -179.5 | -148 | -107.8 | 0 | 0 | 0 | 108.9 | P115 | Y113-P115 HydrophobicContact CD1-CB 4.18Å; Y113-P115 VanDerWaalsContact CD1-CD 3.44Å; Y113-P115 HydrophobicContact CD1-CG 3.62Å; Y113-P115 HydrophobicContact CE1-CB 3.74Å; Y113-P115 HydrophobicContact CE1-CG 3.48Å; Y113-P115 VanDerWaalsContact CE1-CG 3.48Å | ||
| 114 | Y | 46.9 | Very low | 47.9 | Very low | 226 Ų | 226 | 116 Ų | 116 | 89% | 0.886 | 69% | 0.691 | S | S | * | * | trans | -115.6 | 101.7 | 147.4 | -108 | -79.3 | 0 | 0 | 0 | 107.4 | G112 G116 | G112-Y114 PolarHBondContact O-N 3.31Å; Y114-G116 VanDerWaalsContact C-N 3.34Å; Y114-G116 PolarHBondContact O-N 2.97Å; Y114-G116 VanDerWaalsContact O-N 3.08Å | ||
| 115 | P | 53.6 | Low | 48.5 | Very low | 83 Ų | 83 | 115 Ų | 115 | 54% | 0.539 | 68% | 0.675 | S | S | . | * | trans | -76.4 | 94.5 | 167.7 | 33.1 | -28 | 0 | 0 | 0 | 106 | Y113 S117 | Y113-P115 HydrophobicContact CD1-CB 4.18Å; Y113-P115 VanDerWaalsContact CD1-CD 3.44Å; Y113-P115 HydrophobicContact CD1-CG 3.62Å; Y113-P115 HydrophobicContact CE1-CB 3.74Å; Y113-P115 HydrophobicContact CE1-CG 3.48Å; Y113-P115 VanDerWaalsContact CE1-CG 3.48Å; P115-S117 PolarHBondContact O-N 3.34Å | ||
| 116 | G | 44.7 | Very low | 49.4 | Very low | 71 Ų | 71 | 113.8 Ų | 113.8 | 73% | 0.732 | 66% | 0.663 | S | S | * | * | trans | -66.2 | 97.7 | 168 | 0 | 0 | 0 | 0 | 0 | 108.7 | Y114 | Y114-G116 VanDerWaalsContact C-N 3.34Å; Y114-G116 PolarHBondContact O-N 2.97Å; Y114-G116 VanDerWaalsContact O-N 3.08Å | ||
| 117 | S | 43.2 | Very low | 49.7 | Very low | 61 Ų | 61 | 114.7 Ų | 114.7 | 43% | 0.427 | 66% | 0.657 | S | S | . | * | trans | -57.7 | 124.5 | 171.5 | 179.3 | 0 | 0 | 0 | 0 | 109.5 | P115 E119 | P115-S117 PolarHBondContact O-N 3.34Å; S117-E119 PolarHBondContact O-N 3.48Å; S117-E119 PolarHBondContact OG-N 3.48Å | ||
| 118 | P | 54.6 | Low | 50.7 | Low | 110 Ų | 110 | 109.1 Ų | 109.1 | 71% | 0.714 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -65.6 | -15.1 | 177.9 | 23.3 | -30 | 0 | 0 | 0 | 113.2 | T121 | P118-T121 PolarHBondContact O-OG1 2.96Å |
| 119 | E | 49.7 | Very low | 51.5 | Low | 163 Ų | 163 | 102.7 Ų | 102.7 | 76% | 0.762 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -75.1 | -32 | -174.8 | -66.5 | -168 | 136.1 | 0 | 0 | 114.1 | S117 T121 G122 | S117-E119 PolarHBondContact O-N 3.48Å; S117-E119 PolarHBondContact OG-N 3.48Å; E119-T121 PolarHBondContact O-N 3.37Å; E119-G122 PolarHBondContact O-N 2.94Å |
| 120 | E | 51.9 | Low | 53 | Low | 137 Ų | 137 | 107.3 Ų | 107.3 | 64% | 0.64 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -72 | -31.4 | -179.7 | -71.7 | -157.8 | 150.8 | 0 | 0 | 113 | G122 A123 Q124 | E120-G122 VanDerWaalsContact C-N 3.27Å; E120-G122 PolarHBondContact O-N 3.25Å; E120-A123 PolarHBondContact O-N 2.92Å; E120-Q124 PolarHBondContact O-N 2.92Å |
| 121 | T | 54.1 | Low | 54.3 | Low | 101 Ų | 101 | 109.2 Ų | 109.2 | 62% | 0.62 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -63.3 | -34.3 | 178.5 | -9.8 | 0 | 0 | 0 | 0 | 112.3 | P118 E119 H125 | P118-T121 PolarHBondContact O-OG1 2.96Å; E119-T121 PolarHBondContact O-N 3.37Å; T121-H125 WeakPolarHBondContact O-CB 3.33Å; T121-H125 PolarHBondContact O-N 3.08Å |
| 122 | G | 54.3 | Low | 56 | Low | 38 Ų | 38 | 101.9 Ų | 101.9 | 39% | 0.392 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.8 | -42.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | E119 E120 H125 I126 | E119-G122 PolarHBondContact O-N 2.94Å; E120-G122 VanDerWaalsContact C-N 3.27Å; E120-G122 PolarHBondContact O-N 3.25Å; G122-H125 PolarHBondContact O-N 3.38Å; G122-I126 WeakPolarHBondContact O-CG1 3.33Å; G122-I126 PolarHBondContact O-N 3.4Å |
| 123 | A | 56.9 | Low | 58.5 | Low | 50 Ų | 50 | 101.2 Ų | 101.2 | 41% | 0.413 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.6 | -40.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | E120 H125 I126 Q127 | E120-A123 PolarHBondContact O-N 2.92Å; A123-H125 VanDerWaalsContact C-N 3.35Å; A123-I126 PolarHBondContact O-N 3.12Å; A123-Q127 PolarHBondContact O-N 2.9Å |
| 124 | Q | 54.2 | Low | 61 | Low | 74 Ų | 74 | 95.8 Ų | 95.8 | 35% | 0.346 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.8 | -29.4 | 177.4 | -63.1 | -178.3 | 12.9 | 0 | 0 | 112.7 | E120 I126 L128 | E120-Q124 PolarHBondContact O-N 2.92Å; Q124-I126 VanDerWaalsContact C-N 3.33Å; Q124-L128 PolarHBondContact O-N 3.49Å |
| 125 | H | 56.2 | Low | 63.3 | Low | 107 Ų | 107 | 88.5 Ų | 88.5 | 50% | 0.495 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.1 | -37.1 | 173.8 | -175.4 | -92.9 | 0 | 0 | 0 | 111.7 | T121 G122 A123 A129 | T121-H125 WeakPolarHBondContact O-CB 3.33Å; T121-H125 PolarHBondContact O-N 3.08Å; G122-H125 PolarHBondContact O-N 3.38Å; A123-H125 VanDerWaalsContact C-N 3.35Å; H125-A129 VanDerWaalsContact O-CB 3.29Å; H125-A129 WeakPolarHBondContact O-CB 3.27Å; H125-A129 PolarHBondContact O-N 3.28Å |
| 126 | I | 60 | Low | 65.3 | Low | 106 Ų | 106 | 86.2 Ų | 86.2 | 54% | 0.544 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.8 | -47.9 | 178 | -66.7 | 164.7 | 0 | 0 | 0 | 110.9 | G122 A123 Q124 L128 A129 E130 | G122-I126 WeakPolarHBondContact O-CG1 3.33Å; G122-I126 PolarHBondContact O-N 3.4Å; A123-I126 PolarHBondContact O-N 3.12Å; Q124-I126 VanDerWaalsContact C-N 3.33Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.08Å; I126-A129 WeakPolarHBondContact O-CB 3.45Å; I126-A129 PolarHBondContact O-N 3.42Å; I126-A129 VanDerWaalsContact O-N 3.07Å; I126-E130 PolarHBondContact O-N 3.27Å |
| 127 | Q | 61 | Low | 67.7 | Low | 134 Ų | 134 | 82.9 Ų | 82.9 | 63% | 0.626 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -63 | -35.9 | 179.1 | -68.3 | -176.9 | 29.7 | 0 | 0 | 113 | A123 R131 | A123-Q127 PolarHBondContact O-N 2.9Å; Q127-R131 PolarHBondContact O-N 2.9Å |
| 128 | L | 61.1 | Low | 70.3 | Confident | 17 Ų | 17 | 82.3 Ų | 82.3 | 9% | 0.089 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -74 | -30.3 | 174.1 | -76.2 | 171.5 | 0 | 0 | 0 | 112.8 | Q124 I126 R131 F132 R159 L160 | Q124-L128 PolarHBondContact O-N 3.49Å; I126-L128 VanDerWaalsContact C-N 3.32Å; I126-L128 PolarHBondContact O-N 3.08Å; L128-R131 PolarHBondContact O-N 3.13Å; L128-F132 PolarHBondContact O-N 3.42Å; L128-R159 HydrophobicContact CD1-CB 3.77Å; L128-L160 HydrophobicContact CD2-CD1 3.91Å; L128-L160 HydrophobicContact CD2-CD2 4.28Å; L128-L160 HydrophobicContact CD2-CG 3.91Å |
| 129 | A | 62.1 | Low | 72.3 | Confident | 36 Ų | 36 | 81.6 Ų | 81.6 | 30% | 0.298 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -70.5 | -32.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H125 I126 F132 R163 | H125-A129 VanDerWaalsContact O-CB 3.29Å; H125-A129 WeakPolarHBondContact O-CB 3.27Å; H125-A129 PolarHBondContact O-N 3.28Å; I126-A129 WeakPolarHBondContact O-CB 3.45Å; I126-A129 PolarHBondContact O-N 3.42Å; I126-A129 VanDerWaalsContact O-N 3.07Å; A129-F132 CarbonylContact O-C 3.51Å; A129-R163 VanDerWaalsContact CB-NH2 3.35Å; A129-R163 VanDerWaalsContact N-NH1 3.11Å |
| 130 | E | 66.3 | Low | 74.5 | Confident | 164 Ų | 164 | 74.8 Ų | 74.8 | 77% | 0.766 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -65.6 | -38.1 | 171.3 | -92.4 | -178.6 | 146.4 | 0 | 0 | 112.3 | I126 | I126-E130 PolarHBondContact O-N 3.27Å |
| 131 | R | 76 | Confident | 76.6 | Confident | 167 Ų | 167 | 70.6 Ų | 70.6 | 63% | 0.63 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -74.2 | -35.1 | 179.4 | -101.8 | -168.4 | 162.6 | -168.6 | -3.3 | 114.2 | Q127 L128 | Q127-R131 PolarHBondContact O-N 2.9Å; L128-R131 PolarHBondContact O-N 3.13Å |
| 132 | F | 85.5 | Confident | 78.7 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 11% | 0.11 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -139 | 120.5 | -179.6 | -58.9 | -75.8 | 0 | 0 | 0 | 111 | L128 A129 L137 M140 Q148 L160 | L128-F132 PolarHBondContact O-N 3.42Å; A129-F132 CarbonylContact O-C 3.51Å; F132-L137 HydrophobicContact CB-CB 4.45Å; F132-M140 HydrophobicContact CD1-CE 4.07Å; F132-M140 HydrophobicContact CE1-CE 4.36Å; F132-Q148 HydrophobicContact CE1-CB 4.29Å; F132-Q148 HydrophobicContact CE1-CG 4.44Å; F132-Q148 HydrophobicContact CZ-CB 4.1Å; F132-L160 HydrophobicContact CD2-CD1 3.96Å; F132-L160 HydrophobicContact CD2-CD2 3.56Å; F132-L160 HydrophobicContact CD2-CG 4.43Å; F132-L160 HydrophobicContact CE2-CD1 3.66Å; F132-L160 HydrophobicContact CE2-CD2 4.14Å; F132-L160 HydrophobicContact CG-CD2 4.36Å |
| 133 | S | 93.5 | Very high | 80.7 | Confident | 70 Ų | 70 | 78.6 Ų | 78.6 | 49% | 0.49 | 42% | 0.422 | S | S | . | . | trans | -65.6 | 146.8 | 168 | 72.8 | 0 | 0 | 0 | 0 | 110.5 | A135 A136 L137 | S133-A135 PolarHBondContact O-N 3.19Å; S133-A136 PolarHBondContact O-N 3.45Å; S133-A136 VanDerWaalsContact O-N 3.16Å; S133-A136 VanDerWaalsContact OG-CB 3.23Å; S133-A136 WeakPolarHBondContact OG-CB 3.36Å; S133-A136 PolarHBondContact OG-N 2.99Å; S133-L137 WeakPolarHBondContact O-CB 3.44Å; S133-L137 PolarHBondContact O-N 3.26Å | ||
| 134 | D | 95.3 | Very high | 82.5 | Confident | 71 Ų | 71 | 80 Ų | 80 | 38% | 0.38 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 179.7 | -76.6 | -13.4 | 0 | 0 | 0 | 112.1 | L137 V138 R163 L167 | D134-L137 PolarHBondContact O-N 3.49Å; D134-V138 WeakPolarHBondContact O-CG2 3.23Å; D134-V138 PolarHBondContact O-N 3.16Å; D134-V138 VanDerWaalsContact O-N 3.08Å; D134-R163 IonicContact OD1-CZ 3.21Å; D134-R163 IonicContact OD1-NE 2.96Å; D134-R163 PolarHBondContact OD1-NE 3.01Å; D134-R163 IonicContact OD1-NH2 2.67Å; D134-R163 PolarHBondContact OD1-NH2 3.03Å; D134-L167 HydrophobicContact CB-CD1 3.77Å; D134-L167 HydrophobicContact CB-CD2 4.08Å; D134-L167 WeakPolarHBondContact OD1-CD1 3.34Å |
| 135 | A | 94.8 | Very high | 84.5 | Confident | 74 Ų | 74 | 76.8 Ų | 76.8 | 61% | 0.612 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -62.7 | -47.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | S133 V138 S139 | S133-A135 PolarHBondContact O-N 3.19Å; A135-V138 PolarHBondContact O-N 3.26Å; A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.45Å; A135-S139 VanDerWaalsContact O-N 3.12Å; A135-S139 PolarHBondContact O-OG 3.42Å |
| 136 | A | 95.3 | Very high | 86.3 | Confident | 35 Ų | 35 | 75.3 Ų | 75.3 | 29% | 0.289 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -64 | -42.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S133 V138 S139 M140 | S133-A136 PolarHBondContact O-N 3.45Å; S133-A136 VanDerWaalsContact O-N 3.16Å; S133-A136 VanDerWaalsContact OG-CB 3.23Å; S133-A136 WeakPolarHBondContact OG-CB 3.36Å; S133-A136 PolarHBondContact OG-N 2.99Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 PolarHBondContact O-N 3.42Å; A136-S139 WeakPolarHBondContact CA-OG 3.41Å; A136-S139 PolarHBondContact O-N 3.17Å; A136-S139 PolarHBondContact O-OG 3.44Å; A136-S139 VanDerWaalsContact O-OG 3.08Å; A136-M140 HydrophobicContact CB-CE 4.48Å; A136-M140 WeakPolarHBondContact O-CB 3.38Å; A136-M140 WeakPolarHBondContact O-CG 3.3Å; A136-M140 PolarHBondContact O-N 3.46Å |
| 137 | L | 95.7 | Very high | 88 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -63.7 | -37.1 | -178.4 | -175.8 | 60.5 | 0 | 0 | 0 | 112.8 | F132 S133 D134 M140 L145 L160 R163 R164 L167 | F132-L137 HydrophobicContact CB-CB 4.45Å; S133-L137 WeakPolarHBondContact O-CB 3.44Å; S133-L137 PolarHBondContact O-N 3.26Å; D134-L137 PolarHBondContact O-N 3.49Å; L137-M140 HydrophobicContact CD1-SD 4.08Å; L137-M140 WeakPolarHBondContact O-CG 3.46Å; L137-L145 HydrophobicContact CD1-CD1 3.89Å; L137-L160 HydrophobicContact CD1-CD2 4.21Å; L137-L160 HydrophobicContact CD2-CD2 4.18Å; L137-R163 HydrophobicContact CD2-CB 4.22Å; L137-R163 HydrophobicContact CD2-CG 3.93Å; L137-R164 HydrophobicContact CD1-CB 4.25Å; L137-R164 HydrophobicContact CD2-CB 4.18Å; L137-R164 HydrophobicContact CG-CB 3.93Å; L137-R164 HydrophobicContact CG-CG 4.29Å; L137-R164 VanDerWaalsContact O-CD 3.26Å; L137-R164 WeakPolarHBondContact O-CD 3.42Å; L137-R164 PolarHBondContact O-NE 3.4Å; L137-R164 VanDerWaalsContact O-NE 3.14Å; L137-L167 HydrophobicContact CD2-CD1 4.13Å |
| 138 | V | 96.9 | Very high | 89.4 | Confident | 50 Ų | 50 | 74.4 Ų | 74.4 | 30% | 0.303 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -72.6 | -43.2 | 176.3 | 174 | 0 | 0 | 0 | 0 | 111.1 | D134 A135 A136 R164 L167 K168 | D134-V138 WeakPolarHBondContact O-CG2 3.23Å; D134-V138 PolarHBondContact O-N 3.16Å; D134-V138 VanDerWaalsContact O-N 3.08Å; A135-V138 PolarHBondContact O-N 3.26Å; A136-V138 VanDerWaalsContact C-N 3.34Å; A136-V138 PolarHBondContact O-N 3.42Å; V138-R164 PolarHBondContact O-NH2 2.9Å; V138-L167 HydrophobicContact CG2-CB 3.41Å; V138-L167 VanDerWaalsContact CG2-CB 3.41Å; V138-L167 HydrophobicContact CG2-CD1 3.97Å; V138-L167 HydrophobicContact CG2-CG 4.31Å; V138-K168 HydrophobicContact CG1-CG 4.11Å |
| 139 | S | 96.6 | Very high | 90.8 | Very high | 94 Ų | 94 | 74.4 Ų | 74.4 | 66% | 0.657 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -76.9 | -35.5 | -171.1 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | A135 A136 | A135-S139 WeakPolarHBondContact O-CB 3.46Å; A135-S139 PolarHBondContact O-N 3.45Å; A135-S139 VanDerWaalsContact O-N 3.12Å; A135-S139 PolarHBondContact O-OG 3.42Å; A136-S139 WeakPolarHBondContact CA-OG 3.41Å; A136-S139 PolarHBondContact O-N 3.17Å; A136-S139 PolarHBondContact O-OG 3.44Å; A136-S139 VanDerWaalsContact O-OG 3.08Å |
| 140 | M | 96.3 | Very high | 92.2 | Very high | 21 Ų | 21 | 82.9 Ų | 82.9 | 10% | 0.103 | 41% | 0.413 | C | S | . | . | S | Bend | trans | -57.9 | 141.4 | -179.5 | 56.9 | -177.1 | 41.1 | 0 | 0 | 111.9 | F132 A136 L137 E144 L145 Q148 R164 | F132-M140 HydrophobicContact CD1-CE 4.07Å; F132-M140 HydrophobicContact CE1-CE 4.36Å; A136-M140 HydrophobicContact CB-CE 4.48Å; A136-M140 WeakPolarHBondContact O-CB 3.38Å; A136-M140 WeakPolarHBondContact O-CG 3.3Å; A136-M140 PolarHBondContact O-N 3.46Å; L137-M140 HydrophobicContact CD1-SD 4.08Å; L137-M140 WeakPolarHBondContact O-CG 3.46Å; M140-E144 HydrophobicContact CB-CB 4.41Å; M140-L145 HydrophobicContact CG-CB 4.32Å; M140-L145 HydrophobicContact SD-CB 4.04Å; M140-L145 HydrophobicContact SD-CD1 3.83Å; M140-Q148 PolarHBondContact SD-OE1 3.18Å; M140-R164 PolarHBondContact O-NH1 3.4Å; M140-R164 VanDerWaalsContact O-NH1 3.14Å; M140-R164 PolarHBondContact O-NH2 2.94Å |
| 141 | S | 96.9 | Very high | 93.1 | Very high | 49 Ų | 49 | 79.4 Ų | 79.4 | 34% | 0.343 | 42% | 0.42 | S | S | . | . | trans | -64.4 | 167.1 | 178.4 | 67.3 | 0 | 0 | 0 | 0 | 111.9 | R143 E144 L145 R164 | S141-R143 VanDerWaalsContact C-N 3.25Å; S141-R143 PolarHBondContact O-N 2.92Å; S141-E144 WeakPolarHBondContact CB-OE2 3.5Å; S141-E144 PolarHBondContact N-OE2 3.02Å; S141-E144 PolarHBondContact O-N 3.19Å; S141-E144 WeakPolarHBondContact OG-CB 3.25Å; S141-E144 WeakPolarHBondContact OG-CG 3.49Å; S141-E144 PolarHBondContact OG-N 3.42Å; S141-E144 VanDerWaalsContact OG-N 3.16Å; S141-E144 PolarHBondContact OG-OE2 3.34Å; S141-L145 WeakPolarHBondContact O-CB 3.32Å; S141-L145 PolarHBondContact O-N 3.39Å; S141-R164 PolarHBondContact O-NH1 3.08Å | ||
| 142 | V | 96.8 | Very high | 93.6 | Very high | 93 Ų | 93 | 72.6 Ų | 72.6 | 56% | 0.564 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -62.5 | -37.4 | 173.9 | 177.3 | 0 | 0 | 0 | 0 | 110.8 | N146 | V142-N146 VanDerWaalsContact O-CB 3.32Å; V142-N146 WeakPolarHBondContact O-CB 3.42Å; V142-N146 VanDerWaalsContact O-CG 3.23Å; V142-N146 PolarHBondContact O-N 2.87Å; V142-N146 PolarHBondContact O-ND2 2.89Å |
| 143 | R | 97.5 | Very high | 93.9 | Very high | 214 Ų | 214 | 73.2 Ų | 73.2 | 81% | 0.808 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -65.2 | -44.6 | 179.1 | -66.6 | -178.1 | -178.3 | 172.5 | 0.3 | 111.7 | S141 N146 R147 | S141-R143 VanDerWaalsContact C-N 3.25Å; S141-R143 PolarHBondContact O-N 2.92Å; R143-N146 PolarHBondContact O-N 2.85Å; R143-R147 PolarHBondContact O-N 3.5Å |
| 144 | E | 95.6 | Very high | 93.8 | Very high | 79 Ų | 79 | 80.4 Ų | 80.4 | 37% | 0.369 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.8 | -44.2 | 179 | -68.7 | 162.7 | 145.9 | 0 | 0 | 112 | M140 S141 N146 R147 Q148 | M140-E144 HydrophobicContact CB-CB 4.41Å; S141-E144 WeakPolarHBondContact CB-OE2 3.5Å; S141-E144 PolarHBondContact N-OE2 3.02Å; S141-E144 PolarHBondContact O-N 3.19Å; S141-E144 WeakPolarHBondContact OG-CB 3.25Å; S141-E144 WeakPolarHBondContact OG-CG 3.49Å; S141-E144 PolarHBondContact OG-N 3.42Å; S141-E144 VanDerWaalsContact OG-N 3.16Å; S141-E144 PolarHBondContact OG-OE2 3.34Å; E144-N146 VanDerWaalsContact C-N 3.34Å; E144-N146 PolarHBondContact O-N 3.28Å; E144-R147 WeakPolarHBondContact O-CB 3.13Å; E144-R147 PolarHBondContact O-N 3.08Å; E144-R147 VanDerWaalsContact O-N 3.17Å; E144-Q148 WeakPolarHBondContact O-CG 3.26Å; E144-Q148 PolarHBondContact O-N 3.19Å |
| 145 | L | 94.6 | Very high | 93.7 | Very high | 7 Ų | 7 | 82 Ų | 82 | 4% | 0.037 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -57.5 | -49.8 | 173.5 | 176.2 | 63.2 | 0 | 0 | 0 | 110.4 | L137 M140 S141 R147 Q148 L149 R164 | L137-L145 HydrophobicContact CD1-CD1 3.89Å; M140-L145 HydrophobicContact CG-CB 4.32Å; M140-L145 HydrophobicContact SD-CB 4.04Å; M140-L145 HydrophobicContact SD-CD1 3.83Å; S141-L145 WeakPolarHBondContact O-CB 3.32Å; S141-L145 PolarHBondContact O-N 3.39Å; L145-R147 PolarHBondContact O-N 2.91Å; L145-Q148 PolarHBondContact O-N 3.29Å; L145-Q148 VanDerWaalsContact O-N 3.13Å; L145-L149 HydrophobicContact CD1-CD1 4.09Å; L145-L149 HydrophobicContact CD1-CD2 4.45Å; L145-L149 HydrophobicContact CD1-CG 4.05Å; L145-L149 HydrophobicContact CG-CD1 3.92Å; L145-L149 HydrophobicContact CG-CG 4.27Å; L145-L149 VanDerWaalsContact O-CG 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.47Å; L145-R164 VanDerWaalsContact CD2-NH1 3.32Å |
| 146 | N | 95.2 | Very high | 93.4 | Very high | 75 Ų | 75 | 81.8 Ų | 81.8 | 40% | 0.401 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.3 | -31.6 | 179.4 | -75.9 | -23.2 | 0 | 0 | 0 | 112.9 | V142 R143 E144 R150 | V142-N146 VanDerWaalsContact O-CB 3.32Å; V142-N146 WeakPolarHBondContact O-CB 3.42Å; V142-N146 VanDerWaalsContact O-CG 3.23Å; V142-N146 PolarHBondContact O-N 2.87Å; V142-N146 PolarHBondContact O-ND2 2.89Å; R143-N146 PolarHBondContact O-N 2.85Å; E144-N146 VanDerWaalsContact C-N 3.34Å; E144-N146 PolarHBondContact O-N 3.28Å; N146-R150 WeakPolarHBondContact O-CG 3.34Å; N146-R150 PolarHBondContact O-N 2.59Å |
| 147 | R | 94.3 | Very high | 93.3 | Very high | 143 Ų | 143 | 80.9 Ų | 80.9 | 54% | 0.54 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -66.6 | -45.2 | 173.3 | -177.1 | 177.9 | 65.2 | -110.5 | 1.9 | 111.3 | R143 E144 L145 L149 R150 | R143-R147 PolarHBondContact O-N 3.5Å; E144-R147 WeakPolarHBondContact O-CB 3.13Å; E144-R147 PolarHBondContact O-N 3.08Å; E144-R147 VanDerWaalsContact O-N 3.17Å; L145-R147 PolarHBondContact O-N 2.91Å; R147-L149 VanDerWaalsContact C-N 3.28Å; R147-L149 PolarHBondContact O-N 3.49Å; R147-R150 WeakPolarHBondContact O-CB 3.43Å; R147-R150 PolarHBondContact O-N 3.14Å |
| 148 | Q | 90.4 | Very high | 93.2 | Very high | 79 Ų | 79 | 86.6 Ų | 86.6 | 37% | 0.369 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -68.7 | -27 | 178 | -70.5 | 174.6 | -22.1 | 0 | 0 | 112.9 | F132 M140 E144 L145 R150 C152 | F132-Q148 HydrophobicContact CE1-CB 4.29Å; F132-Q148 HydrophobicContact CE1-CG 4.44Å; F132-Q148 HydrophobicContact CZ-CB 4.1Å; M140-Q148 PolarHBondContact SD-OE1 3.18Å; E144-Q148 WeakPolarHBondContact O-CG 3.26Å; E144-Q148 PolarHBondContact O-N 3.19Å; L145-Q148 PolarHBondContact O-N 3.29Å; L145-Q148 VanDerWaalsContact O-N 3.13Å; Q148-R150 VanDerWaalsContact C-N 3.28Å; Q148-R150 PolarHBondContact O-N 3.35Å; Q148-C152 PolarHBondContact O-SG 3.14Å |
| 149 | L | 92.3 | Very high | 93 | Very high | 17 Ų | 17 | 88.5 Ų | 88.5 | 9% | 0.089 | 45% | 0.447 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.2 | -9.4 | 174.1 | -67.5 | 179.7 | 0 | 0 | 0 | 113.6 | L145 R147 G151 C152 A157 L160 K161 | L145-L149 HydrophobicContact CD1-CD1 4.09Å; L145-L149 HydrophobicContact CD1-CD2 4.45Å; L145-L149 HydrophobicContact CD1-CG 4.05Å; L145-L149 HydrophobicContact CG-CD1 3.92Å; L145-L149 HydrophobicContact CG-CG 4.27Å; L145-L149 VanDerWaalsContact O-CG 3.27Å; L145-L149 WeakPolarHBondContact O-CG 3.49Å; L145-L149 PolarHBondContact O-N 3.47Å; R147-L149 VanDerWaalsContact C-N 3.28Å; R147-L149 PolarHBondContact O-N 3.49Å; L149-G151 PolarHBondContact O-N 3.28Å; L149-C152 HydrophobicContact CD2-CB 4.45Å; L149-C152 WeakPolarHBondContact O-CB 3.45Å; L149-C152 PolarHBondContact O-N 3.21Å; L149-C152 VanDerWaalsContact O-N 3.12Å; L149-A157 HydrophobicContact CD1-CB 4.39Å; L149-A157 HydrophobicContact CD2-CB 4.13Å; L149-L160 HydrophobicContact CD2-CB 4.2Å; L149-L160 HydrophobicContact CD2-CD1 3.58Å; L149-K161 HydrophobicContact CD1-CG 4.29Å |
| 150 | R | 91.4 | Very high | 92.8 | Very high | 214 Ų | 214 | 84.1 Ų | 84.1 | 81% | 0.808 | 42% | 0.417 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.5 | 122.4 | 173.9 | -65.9 | -176.1 | -180 | -131.1 | 0.8 | 108.9 | N146 R147 Q148 C152 | N146-R150 WeakPolarHBondContact O-CG 3.34Å; N146-R150 PolarHBondContact O-N 2.59Å; R147-R150 WeakPolarHBondContact O-CB 3.43Å; R147-R150 PolarHBondContact O-N 3.14Å; Q148-R150 VanDerWaalsContact C-N 3.28Å; Q148-R150 PolarHBondContact O-N 3.35Å; R150-C152 VanDerWaalsContact C-N 3.34Å |
| 151 | G | 84.1 | Confident | 92.8 | Very high | 90 Ų | 90 | 88.4 Ų | 88.4 | 93% | 0.928 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.5 | 1.4 | -176 | 0 | 0 | 0 | 0 | 0 | 114.8 | L149 | L149-G151 PolarHBondContact O-N 3.28Š|
| 152 | C | 86.8 | Confident | 92.7 | Very high | 25 Ų | 25 | 91.9 Ų | 91.9 | 17% | 0.169 | 45% | 0.445 | C | S | . | . | S | Bend | trans | -79.2 | 152.1 | 166.5 | -65.8 | 0 | 0 | 0 | 0 | 110.6 | Q148 L149 R150 | Q148-C152 PolarHBondContact O-SG 3.14Å; L149-C152 HydrophobicContact CD2-CB 4.45Å; L149-C152 WeakPolarHBondContact O-CB 3.45Å; L149-C152 PolarHBondContact O-N 3.21Å; L149-C152 VanDerWaalsContact O-N 3.12Å; R150-C152 VanDerWaalsContact C-N 3.34Å |
| 153 | G | 91.4 | Very high | 92.6 | Very high | 38 Ų | 38 | 89.1 Ų | 89.1 | 39% | 0.392 | 43% | 0.425 | S | S | . | . | trans | -63.1 | 153.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D155 E156 A157 | G153-D155 VanDerWaalsContact C-N 3.3Å; G153-D155 PolarHBondContact O-N 3.44Å; G153-E156 PolarHBondContact N-OE2 2.94Å; G153-E156 PolarHBondContact O-N 3.47Å; G153-A157 WeakPolarHBondContact O-CB 3.4Å; G153-A157 PolarHBondContact O-N 3.16Å | ||
| 154 | R | 92.5 | Very high | 92.6 | Very high | 220 Ų | 220 | 79.9 Ų | 79.9 | 83% | 0.83 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -55.2 | -44.9 | -179.5 | -178.7 | 176.4 | 176.3 | 154.9 | -1.9 | 112.1 | A157 L158 | R154-A157 PolarHBondContact O-N 3.45Å; R154-L158 PolarHBondContact O-N 3.17Å |
| 155 | D | 91.6 | Very high | 92.7 | Very high | 106 Ų | 106 | 82.5 Ų | 82.5 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -71.7 | -37 | -177.4 | -60.4 | -30.5 | 0 | 0 | 0 | 112.1 | G153 L158 R159 | G153-D155 VanDerWaalsContact C-N 3.3Å; G153-D155 PolarHBondContact O-N 3.44Å; D155-L158 PolarHBondContact O-N 2.96Å; D155-R159 WeakPolarHBondContact O-CB 3.28Å; D155-R159 WeakPolarHBondContact O-CG 3.42Å; D155-R159 PolarHBondContact O-N 3.04Å |
| 156 | E | 90.4 | Very high | 92.9 | Very high | 69 Ų | 69 | 86 Ų | 86 | 32% | 0.322 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.4 | -44.1 | 174.4 | -65.5 | -178.4 | 157.8 | 0 | 0 | 111.9 | G153 L158 R159 L160 | G153-E156 PolarHBondContact N-OE2 2.94Å; G153-E156 PolarHBondContact O-N 3.47Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.12Å; E156-R159 PolarHBondContact O-N 3.08Å; E156-L160 PolarHBondContact O-N 3.32Å |
| 157 | A | 91.8 | Very high | 93 | Very high | 16 Ų | 16 | 84 Ų | 84 | 13% | 0.132 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -62.1 | -38.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L149 G153 R154 K161 | L149-A157 HydrophobicContact CD1-CB 4.39Å; L149-A157 HydrophobicContact CD2-CB 4.13Å; G153-A157 WeakPolarHBondContact O-CB 3.4Å; G153-A157 PolarHBondContact O-N 3.16Å; R154-A157 PolarHBondContact O-N 3.45Å; A157-K161 WeakPolarHBondContact O-CB 3.47Å; A157-K161 VanDerWaalsContact O-CG 3.27Å; A157-K161 WeakPolarHBondContact O-CG 3.38Å; A157-K161 PolarHBondContact O-N 3.44Å |
| 158 | L | 93.4 | Very high | 93.2 | Very high | 119 Ų | 119 | 80.2 Ų | 80.2 | 62% | 0.623 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -65.1 | -47.4 | 174.5 | -171.4 | 122.3 | 0 | 0 | 0 | 111.2 | R154 D155 E156 L160 K161 Q162 | R154-L158 PolarHBondContact O-N 3.17Å; D155-L158 PolarHBondContact O-N 2.96Å; E156-L158 VanDerWaalsContact C-N 3.28Å; E156-L158 PolarHBondContact O-N 3.12Å; L158-L160 PolarHBondContact O-N 3.31Å; L158-K161 PolarHBondContact O-N 3.01Å; L158-Q162 WeakPolarHBondContact O-CB 3.35Å; L158-Q162 PolarHBondContact O-N 2.95Å |
| 159 | R | 92.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 79.7 Ų | 79.7 | 34% | 0.343 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -58 | -44.6 | 176.2 | -75.5 | -171.6 | -71.5 | -105.5 | 5.4 | 112.2 | L128 D155 E156 Q162 R163 | L128-R159 HydrophobicContact CD1-CB 3.77Å; D155-R159 WeakPolarHBondContact O-CB 3.28Å; D155-R159 WeakPolarHBondContact O-CG 3.42Å; D155-R159 PolarHBondContact O-N 3.04Å; E156-R159 PolarHBondContact O-N 3.08Å; R159-Q162 PolarHBondContact O-N 3.03Å; R159-R163 WeakPolarHBondContact O-CB 3.47Å; R159-R163 PolarHBondContact O-N 3.47Å |
| 160 | L | 93.6 | Very high | 93.9 | Very high | 2 Ų | 2 | 88.1 Ų | 88.1 | 1% | 0.01 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -65.6 | -41.6 | 178.4 | -82.9 | 164.9 | 0 | 0 | 0 | 112.8 | L128 F132 L137 L149 E156 L158 R163 R164 | L128-L160 HydrophobicContact CD2-CD1 3.91Å; L128-L160 HydrophobicContact CD2-CD2 4.28Å; L128-L160 HydrophobicContact CD2-CG 3.91Å; F132-L160 HydrophobicContact CD2-CD1 3.96Å; F132-L160 HydrophobicContact CD2-CD2 3.56Å; F132-L160 HydrophobicContact CD2-CG 4.43Å; F132-L160 HydrophobicContact CE2-CD1 3.66Å; F132-L160 HydrophobicContact CE2-CD2 4.14Å; F132-L160 HydrophobicContact CG-CD2 4.36Å; L137-L160 HydrophobicContact CD1-CD2 4.21Å; L137-L160 HydrophobicContact CD2-CD2 4.18Å; L149-L160 HydrophobicContact CD2-CB 4.2Å; L149-L160 HydrophobicContact CD2-CD1 3.58Å; E156-L160 PolarHBondContact O-N 3.32Å; L158-L160 PolarHBondContact O-N 3.31Å; L160-R163 PolarHBondContact O-N 3.32Å; L160-R164 WeakPolarHBondContact O-CB 3.34Å; L160-R164 PolarHBondContact O-N 3.1Å |
| 161 | K | 94.9 | Very high | 94.2 | Very high | 111 Ų | 111 | 79.6 Ų | 79.6 | 48% | 0.483 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63 | -44 | 175 | -75 | 174.1 | -178.3 | 177.6 | 0 | 111.3 | L149 A157 L158 R164 R165 | L149-K161 HydrophobicContact CD1-CG 4.29Å; A157-K161 WeakPolarHBondContact O-CB 3.47Å; A157-K161 VanDerWaalsContact O-CG 3.27Å; A157-K161 WeakPolarHBondContact O-CG 3.38Å; A157-K161 PolarHBondContact O-N 3.44Å; L158-K161 PolarHBondContact O-N 3.01Å; K161-R164 PolarHBondContact O-N 3.16Å; K161-R165 PolarHBondContact O-N 3.35Å |
| 162 | Q | 96 | Very high | 94.9 | Very high | 122 Ų | 122 | 81.6 Ų | 81.6 | 57% | 0.57 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -63.9 | -47.9 | 177.5 | -175.2 | 61.6 | 14.4 | 0 | 0 | 111.3 | L158 R159 R164 R165 T166 | L158-Q162 WeakPolarHBondContact O-CB 3.35Å; L158-Q162 PolarHBondContact O-N 2.95Å; R159-Q162 PolarHBondContact O-N 3.03Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 3.32Å; Q162-R165 WeakPolarHBondContact O-CB 3.37Å; Q162-R165 PolarHBondContact O-N 2.88Å; Q162-R165 VanDerWaalsContact O-N 3.08Å; Q162-T166 PolarHBondContact O-N 2.93Å; Q162-T166 PolarHBondContact O-OG1 3.48Å |
| 163 | R | 95.1 | Very high | 95.5 | Very high | 34 Ų | 34 | 82.4 Ų | 82.4 | 13% | 0.128 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -56.1 | -47.1 | 175.3 | -176.3 | 177.7 | 175.5 | 168.2 | -0.9 | 111.2 | A129 D134 L137 R159 L160 R165 T166 L167 | A129-R163 VanDerWaalsContact CB-NH2 3.35Å; A129-R163 VanDerWaalsContact N-NH1 3.11Å; D134-R163 IonicContact OD1-CZ 3.21Å; D134-R163 IonicContact OD1-NE 2.96Å; D134-R163 PolarHBondContact OD1-NE 3.01Å; D134-R163 IonicContact OD1-NH2 2.67Å; D134-R163 PolarHBondContact OD1-NH2 3.03Å; L137-R163 HydrophobicContact CD2-CB 4.22Å; L137-R163 HydrophobicContact CD2-CG 3.93Å; R159-R163 WeakPolarHBondContact O-CB 3.47Å; R159-R163 PolarHBondContact O-N 3.47Å; L160-R163 PolarHBondContact O-N 3.32Å; R163-R165 VanDerWaalsContact C-N 3.32Å; R163-R165 PolarHBondContact O-N 3.4Å; R163-T166 PolarHBondContact O-N 3.41Å; R163-L167 HydrophobicContact CG-CD1 4.07Å; R163-L167 HydrophobicContact CG-CG 4.49Å; R163-L167 WeakPolarHBondContact O-CG 3.5Å; R163-L167 PolarHBondContact O-N 3.39Å |
| 164 | R | 97.3 | Very high | 95.8 | Very high | 21 Ų | 21 | 87 Ų | 87 | 8% | 0.079 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -58.6 | -42.1 | 176 | -176 | 172.7 | -179.5 | 178.1 | 4.8 | 112.3 | L137 V138 M140 S141 L145 L160 K161 Q162 L167 K168 | L137-R164 HydrophobicContact CD1-CB 4.25Å; L137-R164 HydrophobicContact CD2-CB 4.18Å; L137-R164 HydrophobicContact CG-CB 3.93Å; L137-R164 HydrophobicContact CG-CG 4.29Å; L137-R164 VanDerWaalsContact O-CD 3.26Å; L137-R164 WeakPolarHBondContact O-CD 3.42Å; L137-R164 PolarHBondContact O-NE 3.4Å; L137-R164 VanDerWaalsContact O-NE 3.14Å; V138-R164 PolarHBondContact O-NH2 2.9Å; M140-R164 PolarHBondContact O-NH1 3.4Å; M140-R164 VanDerWaalsContact O-NH1 3.14Å; M140-R164 PolarHBondContact O-NH2 2.94Å; S141-R164 PolarHBondContact O-NH1 3.08Å; L145-R164 VanDerWaalsContact CD2-NH1 3.32Å; L160-R164 WeakPolarHBondContact O-CB 3.34Å; L160-R164 PolarHBondContact O-N 3.1Å; K161-R164 PolarHBondContact O-N 3.16Å; Q162-R164 VanDerWaalsContact C-N 3.32Å; Q162-R164 PolarHBondContact O-N 3.32Å; R164-L167 PolarHBondContact O-N 2.98Å; R164-K168 WeakPolarHBondContact O-CB 3.41Å; R164-K168 PolarHBondContact O-N 2.89Å |
| 165 | R | 98 | Very high | 96.1 | Very high | 134 Ų | 134 | 79.3 Ų | 79.3 | 51% | 0.506 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.7 | -46.9 | 177.2 | 179.4 | 56.9 | 173.4 | 172.9 | 1.9 | 111.2 | K161 Q162 R163 L167 K168 N169 | K161-R165 PolarHBondContact O-N 3.35Å; Q162-R165 WeakPolarHBondContact O-CB 3.37Å; Q162-R165 PolarHBondContact O-N 2.88Å; Q162-R165 VanDerWaalsContact O-N 3.08Å; R163-R165 VanDerWaalsContact C-N 3.32Å; R163-R165 PolarHBondContact O-N 3.4Å; R165-L167 PolarHBondContact O-N 3.37Å; R165-K168 PolarHBondContact O-N 3.5Å; R165-N169 VanDerWaalsContact CZ-OD1 3.31Å; R165-N169 PolarHBondContact NE-OD1 2.74Å; R165-N169 PolarHBondContact NH1-OD1 2.92Å; R165-N169 WeakPolarHBondContact O-CB 3.46Å; R165-N169 VanDerWaalsContact O-CG 3.29Å; R165-N169 PolarHBondContact O-N 3.3Å |
| 166 | T | 98 | Very high | 96.4 | Very high | 81 Ų | 81 | 77 Ų | 77 | 50% | 0.497 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -59.1 | -46.3 | 177.3 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | Q162 R163 N169 R170 | Q162-T166 PolarHBondContact O-N 2.93Å; Q162-T166 PolarHBondContact O-OG1 3.48Å; R163-T166 PolarHBondContact O-N 3.41Å; T166-N169 PolarHBondContact O-N 2.93Å; T166-R170 PolarHBondContact O-N 3.35Å |
| 167 | L | 97.8 | Very high | 96.8 | Very high | 31 Ų | 31 | 82.8 Ų | 82.8 | 16% | 0.162 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 178.1 | -68.3 | 169.7 | 0 | 0 | 0 | 112.5 | D134 L137 V138 R163 R164 R165 N169 R170 G171 | D134-L167 HydrophobicContact CB-CD1 3.77Å; D134-L167 HydrophobicContact CB-CD2 4.08Å; D134-L167 WeakPolarHBondContact OD1-CD1 3.34Å; L137-L167 HydrophobicContact CD2-CD1 4.13Å; V138-L167 HydrophobicContact CG2-CB 3.41Å; V138-L167 VanDerWaalsContact CG2-CB 3.41Å; V138-L167 HydrophobicContact CG2-CD1 3.97Å; V138-L167 HydrophobicContact CG2-CG 4.31Å; R163-L167 HydrophobicContact CG-CD1 4.07Å; R163-L167 HydrophobicContact CG-CG 4.49Å; R163-L167 WeakPolarHBondContact O-CG 3.5Å; R163-L167 PolarHBondContact O-N 3.39Å; R164-L167 PolarHBondContact O-N 2.98Å; R165-L167 PolarHBondContact O-N 3.37Å; L167-N169 PolarHBondContact O-N 3.43Å; L167-R170 WeakPolarHBondContact O-CB 3.34Å; L167-R170 PolarHBondContact O-N 3.35Å; L167-G171 PolarHBondContact O-N 3.43Å |
| 168 | K | 98.1 | Very high | 97.2 | Very high | 65 Ų | 65 | 85.1 Ų | 85.1 | 28% | 0.283 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 174.5 | -83.8 | -171.7 | 150.6 | -174 | 0 | 112.1 | V138 R164 R165 R170 G171 Y172 | V138-K168 HydrophobicContact CG1-CG 4.11Å; R164-K168 WeakPolarHBondContact O-CB 3.41Å; R164-K168 PolarHBondContact O-N 2.89Å; R165-K168 PolarHBondContact O-N 3.5Å; K168-R170 VanDerWaalsContact C-N 3.26Å; K168-R170 PolarHBondContact O-N 2.95Å; K168-G171 WeakPolarHBondContact O-CA 3.19Å; K168-G171 PolarHBondContact O-N 3.5Å; K168-G171 VanDerWaalsContact O-N 3.08Å; K168-Y172 HydrophobicContact CB-CE2 3.95Å; K168-Y172 VanDerWaalsContact O-CD2 3.25Å; K168-Y172 WeakPolarHBondContact O-CD2 3.31Å; K168-Y172 PolarHBondContact O-N 2.87Å |
| 169 | N | 98.4 | Very high | 97.4 | Very high | 68 Ų | 68 | 87.1 Ų | 87.1 | 36% | 0.364 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -61.7 | -35.5 | 177 | -74.4 | -6.5 | 0 | 0 | 0 | 112.1 | R165 T166 L167 G171 Y172 A173 | R165-N169 VanDerWaalsContact CZ-OD1 3.31Å; R165-N169 PolarHBondContact NE-OD1 2.74Å; R165-N169 PolarHBondContact NH1-OD1 2.92Å; R165-N169 WeakPolarHBondContact O-CB 3.46Å; R165-N169 VanDerWaalsContact O-CG 3.29Å; R165-N169 PolarHBondContact O-N 3.3Å; T166-N169 PolarHBondContact O-N 2.93Å; L167-N169 PolarHBondContact O-N 3.43Å; N169-G171 VanDerWaalsContact C-N 3.35Å; N169-G171 PolarHBondContact O-N 2.81Å; N169-Y172 PolarHBondContact O-N 2.74Å; N169-A173 WeakPolarHBondContact O-CB 3.47Å; N169-A173 PolarHBondContact O-N 2.98Å |
| 170 | R | 98.3 | Very high | 97.7 | Very high | 193 Ų | 193 | 91 Ų | 91 | 73% | 0.728 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59 | -46.1 | 171.7 | -169.4 | 177.6 | -173.7 | 157.5 | 2.6 | 111.5 | T166 L167 K168 A173 Q174 | T166-R170 PolarHBondContact O-N 3.35Å; L167-R170 WeakPolarHBondContact O-CB 3.34Å; L167-R170 PolarHBondContact O-N 3.35Å; K168-R170 VanDerWaalsContact C-N 3.26Å; K168-R170 PolarHBondContact O-N 2.95Å; R170-A173 PolarHBondContact O-N 3.46Å; R170-Q174 PolarHBondContact O-N 2.93Å; R170-Q174 VanDerWaalsContact O-N 3.11Å |
| 171 | G | 98.2 | Very high | 98 | Very high | 35 Ų | 35 | 93.7 Ų | 93.7 | 36% | 0.361 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.7 | -42 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | L167 K168 N169 A173 Q174 A175 | L167-G171 PolarHBondContact O-N 3.43Å; K168-G171 WeakPolarHBondContact O-CA 3.19Å; K168-G171 PolarHBondContact O-N 3.5Å; K168-G171 VanDerWaalsContact O-N 3.08Å; N169-G171 VanDerWaalsContact C-N 3.35Å; N169-G171 PolarHBondContact O-N 2.81Å; G171-A173 PolarHBondContact O-N 3.46Å; G171-Q174 PolarHBondContact O-N 2.87Å; G171-A175 WeakPolarHBondContact O-CB 3.33Å; G171-A175 PolarHBondContact O-N 3.46Å |
| 172 | Y | 98.6 | Very high | 98.2 | Very high | 132 Ų | 132 | 95.3 Ų | 95.3 | 52% | 0.518 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.1 | -38.9 | 176.3 | -62.5 | -41.1 | 0 | 0 | 0 | 112.7 | K168 N169 A175 C176 | K168-Y172 HydrophobicContact CB-CE2 3.95Å; K168-Y172 VanDerWaalsContact O-CD2 3.25Å; K168-Y172 WeakPolarHBondContact O-CD2 3.31Å; K168-Y172 PolarHBondContact O-N 2.87Å; N169-Y172 PolarHBondContact O-N 2.74Å; Y172-A175 PolarHBondContact O-N 3.37Å; Y172-C176 VanDerWaalsContact O-CB 3.28Å; Y172-C176 WeakPolarHBondContact O-CB 3.41Å; Y172-C176 PolarHBondContact O-N 3.47Å |
| 173 | A | 98.7 | Very high | 98.3 | Very high | 43 Ų | 43 | 95.5 Ų | 95.5 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.1 | -43.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | N169 R170 G171 C176 R177 | N169-A173 WeakPolarHBondContact O-CB 3.47Å; N169-A173 PolarHBondContact O-N 2.98Å; R170-A173 PolarHBondContact O-N 3.46Å; G171-A173 PolarHBondContact O-N 3.46Å; A173-C176 PolarHBondContact O-N 3.43Å; A173-R177 VanDerWaalsContact O-CG 3.3Å; A173-R177 WeakPolarHBondContact O-CG 3.3Å; A173-R177 PolarHBondContact O-N 3.27Å |
| 174 | Q | 98.6 | Very high | 98.5 | Very high | 134 Ų | 134 | 100.7 Ų | 100.7 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -60.6 | -50.8 | 174.1 | -175.7 | -175.9 | -0.8 | 0 | 0 | 111.2 | R170 G171 C176 R177 S178 | R170-Q174 PolarHBondContact O-N 2.93Å; R170-Q174 VanDerWaalsContact O-N 3.11Å; G171-Q174 PolarHBondContact O-N 2.87Å; Q174-C176 VanDerWaalsContact C-N 3.29Å; Q174-C176 PolarHBondContact O-N 3.41Å; Q174-R177 PolarHBondContact O-N 2.98Å; Q174-S178 PolarHBondContact O-N 3.2Å; Q174-S178 PolarHBondContact O-OG 2.9Å |
| 175 | A | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 107 Ų | 107 | 48% | 0.479 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G171 Y172 S178 K179 | G171-A175 WeakPolarHBondContact O-CB 3.33Å; G171-A175 PolarHBondContact O-N 3.46Å; Y172-A175 PolarHBondContact O-N 3.37Å; A175-S178 PolarHBondContact O-N 2.92Å; A175-K179 WeakPolarHBondContact O-CB 3.49Å; A175-K179 PolarHBondContact O-N 3.03Å |
| 176 | C | 98.8 | Very high | 98.6 | Very high | 58 Ų | 58 | 102.3 Ų | 102.3 | 39% | 0.392 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -48.5 | 175.1 | -176 | 0 | 0 | 0 | 0 | 111.6 | Y172 A173 Q174 S178 K179 R180 | Y172-C176 VanDerWaalsContact O-CB 3.28Å; Y172-C176 WeakPolarHBondContact O-CB 3.41Å; Y172-C176 PolarHBondContact O-N 3.47Å; A173-C176 PolarHBondContact O-N 3.43Å; Q174-C176 VanDerWaalsContact C-N 3.29Å; Q174-C176 PolarHBondContact O-N 3.41Å; C176-S178 PolarHBondContact O-N 3.27Å; C176-K179 PolarHBondContact O-N 3.07Å; C176-R180 WeakPolarHBondContact O-CG 3.46Å; C176-R180 PolarHBondContact O-N 2.84Å; C176-R180 PolarHBondContact SG-NE 3.24Å; C176-R180 VanDerWaalsContact SG-NE 3.4Å |
| 177 | R | 98.8 | Very high | 98.6 | Very high | 191 Ų | 191 | 103.2 Ų | 103.2 | 72% | 0.721 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.5 | -45.9 | 177 | -68.9 | 172.1 | -169.8 | -176.1 | 2.4 | 111.2 | A173 Q174 R180 L181 | A173-R177 VanDerWaalsContact O-CG 3.3Å; A173-R177 WeakPolarHBondContact O-CG 3.3Å; A173-R177 PolarHBondContact O-N 3.27Å; Q174-R177 PolarHBondContact O-N 2.98Å; R177-R180 PolarHBondContact O-N 3.04Å; R177-L181 WeakPolarHBondContact O-CB 3.42Å; R177-L181 PolarHBondContact O-N 3.43Å |
| 178 | S | 98.8 | Very high | 98.7 | Very high | 64 Ų | 64 | 105.9 Ų | 105.9 | 45% | 0.448 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.4 | -46.5 | 177.5 | -62.7 | 0 | 0 | 0 | 0 | 112 | Q174 A175 C176 R180 L181 Q182 | Q174-S178 PolarHBondContact O-N 3.2Å; Q174-S178 PolarHBondContact O-OG 2.9Å; A175-S178 PolarHBondContact O-N 2.92Å; C176-S178 PolarHBondContact O-N 3.27Å; S178-R180 PolarHBondContact O-N 3.26Å; S178-L181 PolarHBondContact O-N 3.02Å; S178-Q182 WeakPolarHBondContact O-CB 3.45Å; S178-Q182 PolarHBondContact O-N 2.92Å |
| 179 | K | 98.8 | Very high | 98.7 | Very high | 161 Ų | 161 | 105.7 Ų | 105.7 | 70% | 0.7 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -63.2 | -42.7 | 179.3 | -169.6 | 175.1 | -177.9 | 179.3 | 0 | 111.8 | A175 C176 Q182 Q183 | A175-K179 WeakPolarHBondContact O-CB 3.49Å; A175-K179 PolarHBondContact O-N 3.03Å; C176-K179 PolarHBondContact O-N 3.07Å; K179-Q182 PolarHBondContact O-N 3.42Å; K179-Q183 WeakPolarHBondContact O-CB 3.45Å; K179-Q183 PolarHBondContact O-N 2.89Å |
| 180 | R | 98.9 | Very high | 98.7 | Very high | 173 Ų | 173 | 107.4 Ų | 107.4 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.2 | -43.4 | 175.5 | -72.6 | -179.4 | -168.8 | -91.1 | 3.3 | 111.9 | C176 R177 S178 Q183 R184 | C176-R180 WeakPolarHBondContact O-CG 3.46Å; C176-R180 PolarHBondContact O-N 2.84Å; C176-R180 PolarHBondContact SG-NE 3.24Å; C176-R180 VanDerWaalsContact SG-NE 3.4Å; R177-R180 PolarHBondContact O-N 3.04Å; S178-R180 PolarHBondContact O-N 3.26Å; R180-Q183 PolarHBondContact O-N 3.29Å; R180-R184 WeakPolarHBondContact O-CB 3.48Å; R180-R184 PolarHBondContact O-N 2.91Å |
| 181 | L | 98.8 | Very high | 98.7 | Very high | 59 Ų | 59 | 107.2 Ų | 107.2 | 31% | 0.309 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -43.3 | 177.1 | 178.6 | 60.9 | 0 | 0 | 0 | 111.6 | R177 S178 R184 R185 | R177-L181 WeakPolarHBondContact O-CB 3.42Å; R177-L181 PolarHBondContact O-N 3.43Å; S178-L181 PolarHBondContact O-N 3.02Å; L181-R184 PolarHBondContact O-N 3.32Å; L181-R185 HydrophobicContact CD1-CG 4.4Å; L181-R185 WeakPolarHBondContact O-CB 3.4Å; L181-R185 WeakPolarHBondContact O-CG 3.33Å; L181-R185 PolarHBondContact O-N 3.43Å |
| 182 | Q | 98.8 | Very high | 98.8 | Very high | 144 Ų | 144 | 108.3 Ų | 108.3 | 67% | 0.673 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 177.2 | -175.8 | 172.2 | -2 | 0 | 0 | 111.6 | S178 K179 R185 G186 | S178-Q182 WeakPolarHBondContact O-CB 3.45Å; S178-Q182 PolarHBondContact O-N 2.92Å; K179-Q182 PolarHBondContact O-N 3.42Å; Q182-R185 PolarHBondContact O-N 2.95Å; Q182-G186 PolarHBondContact O-N 2.94Å |
| 183 | Q | 98.8 | Very high | 98.8 | Very high | 126 Ų | 126 | 109.2 Ų | 109.2 | 59% | 0.589 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60 | -46.7 | 174.5 | -175.8 | 179.4 | 8.7 | 0 | 0 | 111.3 | K179 R180 R185 G186 L187 | K179-Q183 WeakPolarHBondContact O-CB 3.45Å; K179-Q183 PolarHBondContact O-N 2.89Å; R180-Q183 PolarHBondContact O-N 3.29Å; Q183-R185 PolarHBondContact O-N 3.49Å; Q183-G186 PolarHBondContact O-N 3.2Å; Q183-L187 HydrophobicContact CG-CD1 4.36Å; Q183-L187 WeakPolarHBondContact O-CG 3.35Å; Q183-L187 PolarHBondContact O-N 2.91Å |
| 184 | R | 98.8 | Very high | 98.8 | Very high | 144 Ų | 144 | 111.4 Ų | 111.4 | 54% | 0.543 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -58.9 | -47.6 | 177.4 | -166.6 | -174.8 | 74.7 | -163.8 | -1.9 | 111.6 | R180 L181 G186 L187 E188 | R180-R184 WeakPolarHBondContact O-CB 3.48Å; R180-R184 PolarHBondContact O-N 2.91Å; L181-R184 PolarHBondContact O-N 3.32Å; R184-G186 VanDerWaalsContact C-N 3.31Å; R184-G186 PolarHBondContact O-N 3.07Å; R184-L187 PolarHBondContact O-N 3.37Å; R184-E188 WeakPolarHBondContact CD-OE1 2.75Å; R184-E188 HydrophobicContact CG-CG 4.48Å; R184-E188 WeakPolarHBondContact CG-OE1 3.48Å; R184-E188 IonicContact CZ-OE1 2.92Å; R184-E188 IonicContact NE-OE1 3.07Å; R184-E188 PolarHBondContact NE-OE1 2.97Å; R184-E188 VanDerWaalsContact NE-OE1 3.08Å; R184-E188 WeakPolarHBondContact O-CB 3.4Å; R184-E188 VanDerWaalsContact O-CG 3.3Å; R184-E188 WeakPolarHBondContact O-CG 3.48Å; R184-E188 PolarHBondContact O-N 3.41Å |
| 185 | R | 98.8 | Very high | 98.8 | Very high | 154 Ų | 154 | 107 Ų | 107 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.3 | -39.7 | 176.3 | -74.3 | 174.3 | 175 | 174.7 | -2.1 | 112.3 | L181 Q182 Q183 E188 A189 | L181-R185 HydrophobicContact CD1-CG 4.4Å; L181-R185 WeakPolarHBondContact O-CB 3.4Å; L181-R185 WeakPolarHBondContact O-CG 3.33Å; L181-R185 PolarHBondContact O-N 3.43Å; Q182-R185 PolarHBondContact O-N 2.95Å; Q183-R185 PolarHBondContact O-N 3.49Å; R185-E188 PolarHBondContact O-N 2.99Å; R185-A189 WeakPolarHBondContact O-CB 3.46Å; R185-A189 PolarHBondContact O-N 2.88Å |
| 186 | G | 98.8 | Very high | 98.8 | Very high | 35 Ų | 35 | 107.2 Ų | 107.2 | 36% | 0.361 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -59.7 | -50.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q182 Q183 R184 E188 A189 E190 | Q182-G186 PolarHBondContact O-N 2.94Å; Q183-G186 PolarHBondContact O-N 3.2Å; R184-G186 VanDerWaalsContact C-N 3.31Å; R184-G186 PolarHBondContact O-N 3.07Å; G186-E188 PolarHBondContact O-N 3.41Å; G186-A189 WeakPolarHBondContact O-CB 3.44Å; G186-A189 PolarHBondContact O-N 3.37Å; G186-E190 PolarHBondContact O-N 2.94Å |
| 187 | L | 98.8 | Very high | 98.8 | Very high | 99 Ų | 99 | 109 Ų | 109 | 52% | 0.518 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.2 | -66.8 | 172.8 | 0 | 0 | 0 | 112.6 | Q183 R184 A189 E190 R191 | Q183-L187 HydrophobicContact CG-CD1 4.36Å; Q183-L187 WeakPolarHBondContact O-CG 3.35Å; Q183-L187 PolarHBondContact O-N 2.91Å; R184-L187 PolarHBondContact O-N 3.37Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 3.23Å; L187-E190 PolarHBondContact O-N 3.39Å; L187-R191 WeakPolarHBondContact O-CB 3.46Å; L187-R191 PolarHBondContact O-N 3.06Å |
| 188 | E | 98.8 | Very high | 98.8 | Very high | 87 Ų | 87 | 104.5 Ų | 104.5 | 41% | 0.407 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -40.9 | 174.6 | -74.9 | 165.7 | -175.2 | 0 | 0 | 111.5 | R184 R185 G186 R191 A192 | R184-E188 WeakPolarHBondContact CD-OE1 2.75Å; R184-E188 HydrophobicContact CG-CG 4.48Å; R184-E188 WeakPolarHBondContact CG-OE1 3.48Å; R184-E188 IonicContact CZ-OE1 2.92Å; R184-E188 IonicContact NE-OE1 3.07Å; R184-E188 PolarHBondContact NE-OE1 2.97Å; R184-E188 VanDerWaalsContact NE-OE1 3.08Å; R184-E188 WeakPolarHBondContact O-CB 3.4Å; R184-E188 VanDerWaalsContact O-CG 3.3Å; R184-E188 WeakPolarHBondContact O-CG 3.48Å; R184-E188 PolarHBondContact O-N 3.41Å; R185-E188 PolarHBondContact O-N 2.99Å; G186-E188 PolarHBondContact O-N 3.41Å; E188-R191 PolarHBondContact O-N 2.98Å; E188-A192 WeakPolarHBondContact O-CB 3.38Å; E188-A192 PolarHBondContact O-N 3.46Å |
| 189 | A | 98.8 | Very high | 98.8 | Very high | 61 Ų | 61 | 105.9 Ų | 105.9 | 50% | 0.504 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.1 | -42 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | R185 G186 L187 A192 R193 | R185-A189 WeakPolarHBondContact O-CB 3.46Å; R185-A189 PolarHBondContact O-N 2.88Å; G186-A189 WeakPolarHBondContact O-CB 3.44Å; G186-A189 PolarHBondContact O-N 3.37Å; L187-A189 VanDerWaalsContact C-N 3.33Å; L187-A189 PolarHBondContact O-N 3.23Å; A189-A192 PolarHBondContact O-N 3.12Å; A189-R193 WeakPolarHBondContact O-CB 3.24Å; A189-R193 PolarHBondContact O-N 3.44Å |
| 190 | E | 98.8 | Very high | 98.8 | Very high | 104 Ų | 104 | 101.2 Ų | 101.2 | 49% | 0.486 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 174.6 | -72.7 | -173.3 | 133.7 | 0 | 0 | 111.8 | G186 L187 A192 R193 L194 | G186-E190 PolarHBondContact O-N 2.94Å; L187-E190 PolarHBondContact O-N 3.39Å; E190-A192 VanDerWaalsContact C-N 3.33Å; E190-A192 PolarHBondContact O-N 3.29Å; E190-R193 PolarHBondContact O-N 3.13Å; E190-L194 WeakPolarHBondContact O-CG 3.23Å; E190-L194 PolarHBondContact O-N 3.25Å |
| 191 | R | 98.8 | Very high | 98.8 | Very high | 190 Ų | 190 | 98.3 Ų | 98.3 | 72% | 0.717 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -57.5 | -46.8 | 174.2 | -168.2 | -165.1 | 91.5 | -170.9 | 7.2 | 111.2 | L187 E188 L194 A195 | L187-R191 WeakPolarHBondContact O-CB 3.46Å; L187-R191 PolarHBondContact O-N 3.06Å; E188-R191 PolarHBondContact O-N 2.98Å; R191-L194 PolarHBondContact O-N 3.48Å; R191-A195 WeakPolarHBondContact O-CB 3.48Å; R191-A195 PolarHBondContact O-N 3.35Å |
| 192 | A | 98.8 | Very high | 98.8 | Very high | 58 Ų | 58 | 103.2 Ų | 103.2 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.1 | -42 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E188 A189 E190 A195 A196 | E188-A192 WeakPolarHBondContact O-CB 3.38Å; E188-A192 PolarHBondContact O-N 3.46Å; A189-A192 PolarHBondContact O-N 3.12Å; E190-A192 VanDerWaalsContact C-N 3.33Å; E190-A192 PolarHBondContact O-N 3.29Å; A192-A195 PolarHBondContact O-N 3.34Å; A192-A196 PolarHBondContact O-N 3.18Å |
| 193 | R | 98.8 | Very high | 98.8 | Very high | 150 Ų | 150 | 99.3 Ų | 99.3 | 57% | 0.566 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.2 | -48.6 | 175.7 | -174.4 | -177.8 | 77.5 | 157.1 | 0.6 | 111.7 | A189 E190 A196 Q197 | A189-R193 WeakPolarHBondContact O-CB 3.24Å; A189-R193 PolarHBondContact O-N 3.44Å; E190-R193 PolarHBondContact O-N 3.13Å; R193-A196 PolarHBondContact O-N 2.92Å; R193-Q197 WeakPolarHBondContact O-CG 3.4Å; R193-Q197 PolarHBondContact O-N 3.38Å |
| 194 | L | 98.8 | Very high | 98.8 | Very high | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.9 | -39.5 | -179.9 | -70.3 | 172.9 | 0 | 0 | 0 | 111.8 | E190 R191 A196 Q197 L198 | E190-L194 WeakPolarHBondContact O-CG 3.23Å; E190-L194 PolarHBondContact O-N 3.25Å; R191-L194 PolarHBondContact O-N 3.48Å; L194-A196 PolarHBondContact O-N 3.21Å; L194-Q197 PolarHBondContact O-N 2.97Å; L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.47Å |
| 195 | A | 98.8 | Very high | 98.8 | Very high | 43 Ų | 43 | 94.9 Ų | 94.9 | 36% | 0.355 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -46 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | R191 A192 Q197 L198 D199 | R191-A195 WeakPolarHBondContact O-CB 3.48Å; R191-A195 PolarHBondContact O-N 3.35Å; A192-A195 PolarHBondContact O-N 3.34Å; A195-Q197 VanDerWaalsContact C-N 3.32Å; A195-Q197 PolarHBondContact O-N 3.4Å; A195-L198 PolarHBondContact O-N 2.88Å; A195-D199 PolarHBondContact O-N 3.01Å |
| 196 | A | 98.8 | Very high | 98.8 | Very high | 62 Ų | 62 | 89.5 Ų | 89.5 | 51% | 0.512 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.6 | -38.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | A192 R193 L194 D199 A200 | A192-A196 PolarHBondContact O-N 3.18Å; R193-A196 PolarHBondContact O-N 2.92Å; L194-A196 PolarHBondContact O-N 3.21Å; A196-D199 PolarHBondContact O-N 3.46Å; A196-A200 WeakPolarHBondContact O-CB 3.44Å; A196-A200 PolarHBondContact O-N 3.12Å |
| 197 | Q | 98.8 | Very high | 98.8 | Very high | 96 Ų | 96 | 92 Ų | 92 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 175.1 | -72.3 | 177.1 | -2.1 | 0 | 0 | 112.2 | R193 L194 A195 D199 A200 L201 | R193-Q197 WeakPolarHBondContact O-CG 3.4Å; R193-Q197 PolarHBondContact O-N 3.38Å; L194-Q197 PolarHBondContact O-N 2.97Å; A195-Q197 VanDerWaalsContact C-N 3.32Å; A195-Q197 PolarHBondContact O-N 3.4Å; Q197-D199 VanDerWaalsContact C-N 3.34Å; Q197-A200 PolarHBondContact O-N 3.36Å; Q197-L201 WeakPolarHBondContact O-CB 3.4Å; Q197-L201 WeakPolarHBondContact O-CG 3.46Å; Q197-L201 PolarHBondContact O-N 3.21Å |
| 198 | L | 98.9 | Very high | 98.8 | Very high | 95 Ų | 95 | 91.2 Ų | 91.2 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.9 | -75.6 | 173.2 | 0 | 0 | 0 | 111.6 | L194 A195 L201 R202 | L194-L198 WeakPolarHBondContact O-CG 3.41Å; L194-L198 PolarHBondContact O-N 3.47Å; A195-L198 PolarHBondContact O-N 2.88Å; L198-L201 PolarHBondContact O-N 3.48Å; L198-R202 WeakPolarHBondContact O-CB 3.47Å; L198-R202 VanDerWaalsContact O-CG 3.23Å; L198-R202 WeakPolarHBondContact O-CG 3.5Å; L198-R202 PolarHBondContact O-N 3.22Å |
| 199 | D | 98.8 | Very high | 98.7 | Very high | 93 Ų | 93 | 88.5 Ų | 88.5 | 50% | 0.497 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67 | -39.6 | 179.8 | -69.5 | -21.8 | 0 | 0 | 0 | 111.8 | A195 A196 Q197 R202 A203 | A195-D199 PolarHBondContact O-N 3.01Å; A196-D199 PolarHBondContact O-N 3.46Å; Q197-D199 VanDerWaalsContact C-N 3.34Å; D199-R202 PolarHBondContact O-N 3.29Å; D199-R202 IonicContact OD1-NH1 4Å; D199-R202 PolarHBondContact OD1-NH1 3.49Å; D199-A203 WeakPolarHBondContact O-CB 3.32Å; D199-A203 PolarHBondContact O-N 2.95Å |
| 200 | A | 98.8 | Very high | 98.7 | Very high | 63 Ų | 63 | 93.1 Ų | 93.1 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.4 | -46.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | A196 Q197 A203 E204 | A196-A200 WeakPolarHBondContact O-CB 3.44Å; A196-A200 PolarHBondContact O-N 3.12Å; Q197-A200 PolarHBondContact O-N 3.36Å; A200-A203 WeakPolarHBondContact O-CB 3.42Å; A200-A203 PolarHBondContact O-N 2.93Å; A200-E204 PolarHBondContact O-N 3.41Å |
| 201 | L | 98.8 | Very high | 98.7 | Very high | 113 Ų | 113 | 91.8 Ų | 91.8 | 59% | 0.592 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | 177.7 | -75.4 | 170.4 | 0 | 0 | 0 | 112.1 | Q197 L198 A203 E204 V205 | Q197-L201 WeakPolarHBondContact O-CB 3.4Å; Q197-L201 WeakPolarHBondContact O-CG 3.46Å; Q197-L201 PolarHBondContact O-N 3.21Å; L198-L201 PolarHBondContact O-N 3.48Å; L201-A203 VanDerWaalsContact C-N 3.32Å; L201-A203 PolarHBondContact O-N 3.04Å; L201-E204 PolarHBondContact O-N 3.28Å; L201-V205 WeakPolarHBondContact O-CG2 3.36Å; L201-V205 PolarHBondContact O-N 3.48Å |
| 202 | R | 98.6 | Very high | 98.7 | Very high | 162 Ų | 162 | 90 Ų | 90 | 61% | 0.611 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.1 | -43.2 | 174.3 | -76.5 | 167.8 | 173.1 | 169 | -4.7 | 111.6 | L198 D199 E204 V205 A206 | L198-R202 WeakPolarHBondContact O-CB 3.47Å; L198-R202 VanDerWaalsContact O-CG 3.23Å; L198-R202 WeakPolarHBondContact O-CG 3.5Å; L198-R202 PolarHBondContact O-N 3.22Å; D199-R202 PolarHBondContact O-N 3.29Å; D199-R202 IonicContact OD1-NH1 4Å; D199-R202 PolarHBondContact OD1-NH1 3.49Å; R202-E204 VanDerWaalsContact C-N 3.31Å; R202-E204 PolarHBondContact O-N 3.06Å; R202-V205 PolarHBondContact O-N 3.19Å; R202-A206 WeakPolarHBondContact O-CB 3.42Å; R202-A206 PolarHBondContact O-N 3.41Å |
| 203 | A | 98.7 | Very high | 98.7 | Very high | 61 Ų | 61 | 90.9 Ų | 90.9 | 50% | 0.504 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | D199 A200 L201 A206 R207 | D199-A203 WeakPolarHBondContact O-CB 3.32Å; D199-A203 PolarHBondContact O-N 2.95Å; A200-A203 WeakPolarHBondContact O-CB 3.42Å; A200-A203 PolarHBondContact O-N 2.93Å; L201-A203 VanDerWaalsContact C-N 3.32Å; L201-A203 PolarHBondContact O-N 3.04Å; A203-A206 PolarHBondContact O-N 2.98Å; A203-R207 WeakPolarHBondContact O-CB 3.38Å; A203-R207 PolarHBondContact O-N 2.84Å |
| 204 | E | 98.7 | Very high | 98.7 | Very high | 79 Ų | 79 | 87.8 Ų | 87.8 | 37% | 0.369 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -68 | -43.6 | 178.4 | -173.6 | 55.7 | -157.2 | 0 | 0 | 112.4 | A200 L201 R202 A206 R207 L208 | A200-E204 PolarHBondContact O-N 3.41Å; L201-E204 PolarHBondContact O-N 3.28Å; R202-E204 VanDerWaalsContact C-N 3.31Å; R202-E204 PolarHBondContact O-N 3.06Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 3.42Å; E204-R207 VanDerWaalsContact CD-NE 3.35Å; E204-R207 WeakPolarHBondContact O-CB 3.32Å; E204-R207 PolarHBondContact O-N 3.41Å; E204-R207 VanDerWaalsContact O-N 3.13Å; E204-R207 IonicContact OE1-CZ 3.29Å; E204-R207 VanDerWaalsContact OE1-CZ 3.27Å; E204-R207 IonicContact OE1-NE 2.69Å; E204-R207 PolarHBondContact OE1-NE 2.67Å; E204-R207 IonicContact OE1-NH2 3.9Å; E204-R207 PolarHBondContact OE1-NH2 3.07Å; E204-R207 IonicContact OE2-CZ 3.08Å; E204-R207 IonicContact OE2-NE 2.9Å; E204-R207 PolarHBondContact OE2-NE 2.9Å; E204-R207 IonicContact OE2-NH2 3.54Å; E204-L208 HydrophobicContact CG-CD1 4.29Å; E204-L208 WeakPolarHBondContact O-CG 3.43Å; E204-L208 PolarHBondContact O-N 3.5Å |
| 205 | V | 98.8 | Very high | 98.6 | Very high | 98 Ų | 98 | 90 Ų | 90 | 59% | 0.594 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -59.2 | -43.8 | 173.1 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | L201 R202 R207 L208 A209 | L201-V205 WeakPolarHBondContact O-CG2 3.36Å; L201-V205 PolarHBondContact O-N 3.48Å; R202-V205 PolarHBondContact O-N 3.19Å; V205-R207 VanDerWaalsContact C-N 3.31Å; V205-R207 PolarHBondContact O-N 2.89Å; V205-L208 PolarHBondContact O-N 2.83Å; V205-A209 WeakPolarHBondContact O-CB 3.37Å; V205-A209 PolarHBondContact O-N 3.44Å |
| 206 | A | 98.7 | Very high | 98.5 | Very high | 42 Ų | 42 | 94 Ų | 94 | 35% | 0.347 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.2 | -36.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R202 A203 E204 R210 | R202-A206 WeakPolarHBondContact O-CB 3.42Å; R202-A206 PolarHBondContact O-N 3.41Å; A203-A206 PolarHBondContact O-N 2.98Å; E204-A206 VanDerWaalsContact C-N 3.31Å; E204-A206 PolarHBondContact O-N 3.42Å; A206-R210 WeakPolarHBondContact O-CG 3.34Å; A206-R210 PolarHBondContact O-N 2.87Å; A206-R210 PolarHBondContact O-NH1 2.83Å |
| 207 | R | 98.8 | Very high | 98.4 | Very high | 87 Ų | 87 | 93 Ų | 93 | 33% | 0.328 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.6 | -51.5 | 175 | -168.8 | -168.9 | 73.1 | 70.4 | 9.5 | 111 | A203 E204 V205 A209 R210 E211 | A203-R207 WeakPolarHBondContact O-CB 3.38Å; A203-R207 PolarHBondContact O-N 2.84Å; E204-R207 VanDerWaalsContact CD-NE 3.35Å; E204-R207 WeakPolarHBondContact O-CB 3.32Å; E204-R207 PolarHBondContact O-N 3.41Å; E204-R207 VanDerWaalsContact O-N 3.13Å; E204-R207 IonicContact OE1-CZ 3.29Å; E204-R207 VanDerWaalsContact OE1-CZ 3.27Å; E204-R207 IonicContact OE1-NE 2.69Å; E204-R207 PolarHBondContact OE1-NE 2.67Å; E204-R207 IonicContact OE1-NH2 3.9Å; E204-R207 PolarHBondContact OE1-NH2 3.07Å; E204-R207 IonicContact OE2-CZ 3.08Å; E204-R207 IonicContact OE2-NE 2.9Å; E204-R207 PolarHBondContact OE2-NE 2.9Å; E204-R207 IonicContact OE2-NH2 3.54Å; V205-R207 VanDerWaalsContact C-N 3.31Å; V205-R207 PolarHBondContact O-N 2.89Å; R207-A209 VanDerWaalsContact C-N 3.32Å; R207-A209 PolarHBondContact O-N 2.95Å; R207-R210 PolarHBondContact O-N 3.09Å; R207-E211 IonicContact CZ-OE1 3.27Å; R207-E211 IonicContact CZ-OE2 3.88Å; R207-E211 IonicContact NH1-OE1 3.52Å; R207-E211 PolarHBondContact NH1-OE1 2.69Å; R207-E211 IonicContact NH1-OE2 2.67Å; R207-E211 PolarHBondContact NH1-OE2 2.92Å; R207-E211 IonicContact NH2-OE2 4Å; R207-E211 PolarHBondContact O-N 3.47Å |
| 208 | L | 98.6 | Very high | 98.2 | Very high | 83 Ų | 83 | 94.5 Ų | 94.5 | 44% | 0.435 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.6 | -37.6 | 178.5 | -71.1 | 171.6 | 0 | 0 | 0 | 112.3 | E204 V205 R210 E211 R212 | E204-L208 HydrophobicContact CG-CD1 4.29Å; E204-L208 WeakPolarHBondContact O-CG 3.43Å; E204-L208 PolarHBondContact O-N 3.5Å; V205-L208 PolarHBondContact O-N 2.83Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 3.04Å; L208-E211 PolarHBondContact O-N 3.14Å; L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 PolarHBondContact O-N 3.4Å |
| 209 | A | 98.6 | Very high | 98.1 | Very high | 29 Ų | 29 | 93.5 Ų | 93.5 | 24% | 0.24 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | V205 R207 R212 D213 | V205-A209 WeakPolarHBondContact O-CB 3.37Å; V205-A209 PolarHBondContact O-N 3.44Å; R207-A209 VanDerWaalsContact C-N 3.32Å; R207-A209 PolarHBondContact O-N 2.95Å; A209-R212 PolarHBondContact O-N 2.94Å; A209-D213 PolarHBondContact O-N 3.08Å |
| 210 | R | 98.6 | Very high | 97.8 | Very high | 159 Ų | 159 | 93 Ų | 93 | 60% | 0.6 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -63 | -41.9 | 175.1 | -69.8 | -172.3 | -60.3 | -87.6 | 5.5 | 112.2 | A206 R207 L208 D213 L214 | A206-R210 WeakPolarHBondContact O-CG 3.34Å; A206-R210 PolarHBondContact O-N 2.87Å; A206-R210 PolarHBondContact O-NH1 2.83Å; R207-R210 PolarHBondContact O-N 3.09Å; L208-R210 VanDerWaalsContact C-N 3.35Å; L208-R210 PolarHBondContact O-N 3.04Å; R210-D213 PolarHBondContact O-N 3.09Å; R210-L214 WeakPolarHBondContact O-CB 3.47Å; R210-L214 PolarHBondContact O-N 3.33Å |
| 211 | E | 98.6 | Very high | 97.6 | Very high | 76 Ų | 76 | 97 Ų | 97 | 36% | 0.355 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.5 | -47 | 176.7 | -70.8 | -175.4 | 151.9 | 0 | 0 | 111.7 | R207 L208 D213 L214 Y215 | R207-E211 IonicContact CZ-OE1 3.27Å; R207-E211 IonicContact CZ-OE2 3.88Å; R207-E211 IonicContact NH1-OE1 3.52Å; R207-E211 PolarHBondContact NH1-OE1 2.69Å; R207-E211 IonicContact NH1-OE2 2.67Å; R207-E211 PolarHBondContact NH1-OE2 2.92Å; R207-E211 IonicContact NH2-OE2 4Å; R207-E211 PolarHBondContact O-N 3.47Å; L208-E211 PolarHBondContact O-N 3.14Å; E211-D213 VanDerWaalsContact C-N 3.32Å; E211-D213 PolarHBondContact O-N 3.09Å; E211-L214 PolarHBondContact O-N 2.83Å; E211-Y215 HydrophobicContact CB-CD2 4.49Å; E211-Y215 HydrophobicContact CB-CE2 4.31Å; E211-Y215 WeakPolarHBondContact O-CD2 3.37Å; E211-Y215 PolarHBondContact O-N 2.95Å |
| 212 | R | 98.6 | Very high | 97.2 | Very high | 151 Ų | 151 | 98.1 Ų | 98.1 | 57% | 0.57 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -53.7 | -49.4 | 174.4 | 177.2 | -155.3 | 65.5 | -159.1 | -6 | 111 | L208 A209 L214 Y215 K216 | L208-R212 WeakPolarHBondContact O-CB 3.35Å; L208-R212 PolarHBondContact O-N 3.4Å; A209-R212 PolarHBondContact O-N 2.94Å; R212-L214 VanDerWaalsContact C-N 3.32Å; R212-L214 PolarHBondContact O-N 3.28Å; R212-Y215 PolarHBondContact O-N 3.44Å; R212-K216 WeakPolarHBondContact O-CB 3.42Å; R212-K216 PolarHBondContact O-N 3.25Å |
| 213 | D | 98.3 | Very high | 96.6 | Very high | 77 Ų | 77 | 95.6 Ų | 95.6 | 41% | 0.412 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -65.7 | -37.2 | -176.9 | -66.3 | -16.5 | 0 | 0 | 0 | 111.7 | A209 R210 E211 K216 A217 | A209-D213 PolarHBondContact O-N 3.08Å; R210-D213 PolarHBondContact O-N 3.09Å; E211-D213 VanDerWaalsContact C-N 3.32Å; E211-D213 PolarHBondContact O-N 3.09Å; D213-K216 PolarHBondContact O-N 3.5Å; D213-A217 WeakPolarHBondContact O-CB 3.04Å; D213-A217 PolarHBondContact O-N 2.91Å |
| 214 | L | 98.2 | Very high | 95.4 | Very high | 85 Ų | 85 | 97.3 Ų | 97.3 | 45% | 0.445 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -43.8 | 174.4 | -178.7 | 149.6 | 0 | 0 | 0 | 112.2 | R210 E211 R212 R218 | R210-L214 WeakPolarHBondContact O-CB 3.47Å; R210-L214 PolarHBondContact O-N 3.33Å; E211-L214 PolarHBondContact O-N 2.83Å; R212-L214 VanDerWaalsContact C-N 3.32Å; R212-L214 PolarHBondContact O-N 3.28Å; L214-R218 WeakPolarHBondContact O-CG 3.41Å; L214-R218 PolarHBondContact O-N 3.04Å; L214-R218 VanDerWaalsContact O-N 3.14Å |
| 215 | Y | 97.8 | Very high | 93.7 | Very high | 136 Ų | 136 | 98.2 Ų | 98.2 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.8 | -42.4 | 176.4 | -72.5 | -59.8 | 0 | 0 | 0 | 112 | E211 R212 A217 R218 C219 | E211-Y215 HydrophobicContact CB-CD2 4.49Å; E211-Y215 HydrophobicContact CB-CE2 4.31Å; E211-Y215 WeakPolarHBondContact O-CD2 3.37Å; E211-Y215 PolarHBondContact O-N 2.95Å; R212-Y215 PolarHBondContact O-N 3.44Å; Y215-A217 VanDerWaalsContact C-N 3.35Å; Y215-A217 PolarHBondContact O-N 2.99Å; Y215-R218 WeakPolarHBondContact O-CB 3.25Å; Y215-R218 PolarHBondContact O-N 2.99Å; Y215-R218 VanDerWaalsContact O-N 3.09Å; Y215-C219 PolarHBondContact O-N 2.88Å; Y215-C219 PolarHBondContact O-SG 3.33Å |
| 216 | K | 97.3 | Very high | 91.6 | Very high | 127 Ų | 127 | 95.6 Ų | 95.6 | 55% | 0.552 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -56.3 | -49.2 | 174.5 | -175 | 179.2 | 176.7 | -176.5 | 0 | 111.1 | R212 D213 R218 C219 D220 | R212-K216 WeakPolarHBondContact O-CB 3.42Å; R212-K216 PolarHBondContact O-N 3.25Å; D213-K216 PolarHBondContact O-N 3.5Å; K216-R218 VanDerWaalsContact C-N 3.26Å; K216-R218 PolarHBondContact O-N 3.4Å; K216-C219 PolarHBondContact O-N 3.03Å; K216-C219 VanDerWaalsContact O-N 3.12Å; K216-D220 VanDerWaalsContact O-CG 3.24Å; K216-D220 PolarHBondContact O-N 3.47Å |
| 217 | A | 95.9 | Very high | 89.3 | Confident | 40 Ų | 40 | 99.8 Ų | 99.8 | 33% | 0.331 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -30.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | D213 Y215 R221 | D213-A217 WeakPolarHBondContact O-CB 3.04Å; D213-A217 PolarHBondContact O-N 2.91Å; Y215-A217 VanDerWaalsContact C-N 3.35Å; Y215-A217 PolarHBondContact O-N 2.99Å; A217-R221 WeakPolarHBondContact O-CG 3.4Å; A217-R221 PolarHBondContact O-N 3.5Å; A217-R221 PolarHBondContact O-NH1 3.02Å |
| 218 | R | 95.4 | Very high | 87 | Confident | 128 Ų | 128 | 98.7 Ų | 98.7 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -69.1 | -45.3 | 173.1 | -75.3 | 172.9 | 178.8 | -171.4 | 1.1 | 111.5 | L214 Y215 K216 R221 L222 | L214-R218 WeakPolarHBondContact O-CG 3.41Å; L214-R218 PolarHBondContact O-N 3.04Å; L214-R218 VanDerWaalsContact O-N 3.14Å; Y215-R218 WeakPolarHBondContact O-CB 3.25Å; Y215-R218 PolarHBondContact O-N 2.99Å; Y215-R218 VanDerWaalsContact O-N 3.09Å; K216-R218 VanDerWaalsContact C-N 3.26Å; K216-R218 PolarHBondContact O-N 3.4Å; R218-R221 VanDerWaalsContact CG-NH2 3.27Å; R218-R221 PolarHBondContact O-N 2.86Å; R218-L222 PolarHBondContact O-N 3.12Å |
| 219 | C | 94.9 | Very high | 84.8 | Confident | 75 Ų | 75 | 101.4 Ų | 101.4 | 51% | 0.507 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -46.2 | 176.8 | -67.6 | 0 | 0 | 0 | 0 | 111.5 | Y215 K216 R221 L222 T223 | Y215-C219 PolarHBondContact O-N 2.88Å; Y215-C219 PolarHBondContact O-SG 3.33Å; K216-C219 PolarHBondContact O-N 3.03Å; K216-C219 VanDerWaalsContact O-N 3.12Å; C219-R221 VanDerWaalsContact C-N 3.26Å; C219-R221 PolarHBondContact O-N 2.97Å; C219-L222 PolarHBondContact O-N 3.02Å; C219-T223 PolarHBondContact O-N 3.29Å; C219-T223 PolarHBondContact O-OG1 3.26Å |
| 220 | D | 93.9 | Very high | 82.6 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 43% | 0.433 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -59.1 | -37 | -179.4 | -68.2 | -15.9 | 0 | 0 | 0 | 111.9 | K216 L222 T223 S224 | K216-D220 VanDerWaalsContact O-CG 3.24Å; K216-D220 PolarHBondContact O-N 3.47Å; D220-L222 PolarHBondContact O-N 3.28Å; D220-T223 WeakPolarHBondContact CA-OG1 3.23Å; D220-T223 PolarHBondContact O-N 3.48Å; D220-T223 PolarHBondContact O-OG1 3.42Å; D220-S224 VanDerWaalsContact O-CB 3.25Å; D220-S224 WeakPolarHBondContact O-CB 3.3Å; D220-S224 PolarHBondContact O-N 3.45Å; D220-S224 PolarHBondContact O-OG 2.98Å |
| 221 | R | 93 | Very high | 80.1 | Confident | 149 Ų | 149 | 103.8 Ų | 103.8 | 56% | 0.562 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -64.8 | -37.8 | 174.7 | -76.3 | -170.7 | -62.2 | -97.8 | 5.6 | 113.2 | A217 R218 C219 S224 S225 | A217-R221 WeakPolarHBondContact O-CG 3.4Å; A217-R221 PolarHBondContact O-N 3.5Å; A217-R221 PolarHBondContact O-NH1 3.02Å; R218-R221 VanDerWaalsContact CG-NH2 3.27Å; R218-R221 PolarHBondContact O-N 2.86Å; C219-R221 VanDerWaalsContact C-N 3.26Å; C219-R221 PolarHBondContact O-N 2.97Å; R221-S224 WeakPolarHBondContact CA-OG 3.41Å; R221-S224 PolarHBondContact O-OG 3.07Å; R221-S225 VanDerWaalsContact O-CB 3.3Å; R221-S225 WeakPolarHBondContact O-CB 3.37Å; R221-S225 PolarHBondContact O-N 3.26Å |
| 222 | L | 91.4 | Very high | 77.8 | Confident | 136 Ų | 136 | 108.7 Ų | 108.7 | 71% | 0.712 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -72.9 | -39.3 | 179.3 | -65.8 | 173 | 0 | 0 | 0 | 111.1 | R218 C219 D220 S225 | R218-L222 PolarHBondContact O-N 3.12Å; C219-L222 PolarHBondContact O-N 3.02Å; D220-L222 PolarHBondContact O-N 3.28Å; L222-S225 PolarHBondContact O-N 3.43Å |
| 223 | T | 87 | Confident | 75.6 | Confident | 108 Ų | 108 | 106.7 Ų | 106.7 | 66% | 0.663 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -72.7 | -33.5 | 177 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | C219 D220 S225 | C219-T223 PolarHBondContact O-N 3.29Å; C219-T223 PolarHBondContact O-OG1 3.26Å; D220-T223 WeakPolarHBondContact CA-OG1 3.23Å; D220-T223 PolarHBondContact O-N 3.48Å; D220-T223 PolarHBondContact O-OG1 3.42Å; T223-S225 VanDerWaalsContact C-N 3.27Å; T223-S225 PolarHBondContact O-N 3.4Å |
| 224 | S | 72 | Confident | 73.3 | Confident | 97 Ų | 97 | 111 Ų | 111 | 68% | 0.678 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -73 | -16.2 | 174 | 66 | 0 | 0 | 0 | 0 | 114.2 | D220 R221 | D220-S224 VanDerWaalsContact O-CB 3.25Å; D220-S224 WeakPolarHBondContact O-CB 3.3Å; D220-S224 PolarHBondContact O-N 3.45Å; D220-S224 PolarHBondContact O-OG 2.98Å; R221-S224 WeakPolarHBondContact CA-OG 3.41Å; R221-S224 PolarHBondContact O-OG 3.07Å |
| 225 | S | 63.7 | Low | 71 | Confident | 98 Ų | 98 | 114.9 Ų | 114.9 | 69% | 0.685 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.4 | 5.3 | -178.9 | -167.8 | 0 | 0 | 0 | 0 | 113.4 | R221 L222 T223 | R221-S225 VanDerWaalsContact O-CB 3.3Å; R221-S225 WeakPolarHBondContact O-CB 3.37Å; R221-S225 PolarHBondContact O-N 3.26Å; L222-S225 PolarHBondContact O-N 3.43Å; T223-S225 VanDerWaalsContact C-N 3.27Å; T223-S225 PolarHBondContact O-N 3.4Å |
| 226 | G | 53.5 | Low | 68.6 | Low | 44 Ų | 44 | 118.1 Ų | 118.1 | 45% | 0.454 | 68% | 0.678 | S | S | . | * | S | Bend | trans | -70.9 | 141.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||
| 227 | P | 52.3 | Low | 66.3 | Low | 129 Ų | 129 | 124.3 Ų | 124.3 | 84% | 0.838 | 72% | 0.715 | S | S | * | * | trans | -60.7 | 143.4 | -179.6 | 28.5 | -33 | 0 | 0 | 0 | 109.5 | ||||
| 228 | G | 50.3 | Low | 64.9 | Low | 64 Ų | 64 | 128.5 Ų | 128.5 | 66% | 0.66 | 74% | 0.735 | S | S | * | * | trans | -45.5 | 146.9 | -166.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | G230 | G228-G230 PolarHBondContact O-N 2.81Š| ||
| 229 | S | 52.3 | Low | 63.3 | Low | 140 Ų | 140 | 128.5 Ų | 128.5 | 98% | 0.979 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -51.3 | 90.2 | 153.7 | 42.2 | 0 | 0 | 0 | 0 | 110.2 | ||
| 230 | G | 51 | Low | 61.5 | Low | 61 Ų | 61 | 131.5 Ų | 131.5 | 63% | 0.629 | 76% | 0.761 | S | S | * | * | trans | -170.6 | 132.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | G228 | G228-G230 PolarHBondContact O-N 2.81Š| ||
| 231 | E | 46.9 | Very low | 59.6 | Low | 177 Ų | 177 | 134.5 Ų | 134.5 | 83% | 0.827 | 78% | 0.781 | S | S | * | * | trans | 78.9 | 61.4 | -179.5 | -58.2 | -123.3 | 137.7 | 0 | 0 | 117.6 | ||||
| 232 | L | 49.8 | Very low | 57.5 | Low | 180 Ų | 180 | 133.6 Ų | 133.6 | 94% | 0.942 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -124.9 | 46.3 | 146.5 | -91.8 | 167.9 | 0 | 0 | 0 | 109.5 | ||
| 233 | S | 52.1 | Low | 55.3 | Low | 108 Ų | 108 | 133.4 Ų | 133.4 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | S | Bend | trans | -127 | 8.6 | 179.6 | -52.4 | 0 | 0 | 0 | 0 | 114.4 | ||
| 234 | H | 51.4 | Low | 53 | Low | 167 Ų | 167 | 135.2 Ų | 135.2 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -142.1 | 32 | -171.9 | -112.2 | -73.3 | 0 | 0 | 0 | 116.7 | ||
| 235 | L | 50 | Low | 51.5 | Low | 167 Ų | 167 | 138.2 Ų | 138.2 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -127.4 | 45.1 | 174.9 | -115.2 | 95 | 0 | 0 | 0 | 114.2 | ||||
| 236 | F | 47.5 | Very low | 50.5 | Low | 205 Ų | 205 | 141.5 Ų | 141.5 | 90% | 0.899 | 83% | 0.831 | S | S | * | * | trans | -145.9 | 94.6 | 156.3 | -86.9 | -79.3 | 0 | 0 | 0 | 108.5 | ||||
| 237 | L | 49.1 | Very low | 50.2 | Low | 256 Ų | 256 | 150.4 Ų | 150.4 | 100% | 1.34 | 87% | 0.865 | S | S | * | * | trans | -154.1 | 0 | 147.9 | -121.3 | 100.6 | 0 | 0 | 0 | 108.4 |
Retrieved 237 of 237 residues in 509.5 ms
(Link to these results)