| 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 | 39.4 | Very low | 43.4 | Very low | 248 Ų | 248 | 144.5 Ų | 144.5 | 100% | 1.222 | 81% | 0.812 | S | S | * | * | 0 | 150.2 | 0 | -78 | 158.7 | 166.9 | 0 | 0 | 108.3 | |||||
| 2 | A | 38.5 | Very low | 42.8 | Very low | 100 Ų | 100 | 146.8 Ų | 146.8 | 83% | 0.826 | 81% | 0.811 | S | S | * | * | trans | -73.8 | -179.9 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 3 | A | 38.3 | Very low | 42.6 | Very low | 79 Ų | 79 | 139.9 Ų | 139.9 | 65% | 0.653 | 79% | 0.794 | S | S | * | * | cis | -155.8 | 151.8 | 11.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 4 | Q | 37.6 | Very low | 42.8 | Very low | 190 Ų | 190 | 139.5 Ų | 139.5 | 89% | 0.888 | 80% | 0.8 | S | S | * | * | 84.3 | 144.7 | 105 | -165.1 | 161 | 47.6 | 0 | 0 | 116.2 | |||||
| 5 | M | 40.9 | Very low | 42.6 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 85% | 0.852 | 80% | 0.802 | S | S | * | * | trans | -105 | -156.2 | -167.6 | -54.6 | -147.5 | -51.8 | 0 | 0 | 114.3 | ||||
| 6 | P | 66.1 | Low | 43 | Very low | 104 Ų | 104 | 137.8 Ų | 137.8 | 68% | 0.675 | 80% | 0.801 | S | S | * | * | -120.4 | 177.8 | -116.9 | 37.7 | -17 | 0 | 0 | 0 | 115.7 | |||||
| 7 | P | 48.4 | Very low | 43.3 | Very low | 119 Ų | 119 | 144.4 Ų | 144.4 | 77% | 0.773 | 81% | 0.809 | S | S | * | * | trans | -140.1 | 170.4 | 132.6 | 36.1 | -21.1 | 0 | 0 | 0 | 112.5 | ||||
| 8 | Q | 44.7 | Very low | 43.4 | Very low | 163 Ų | 163 | 147.2 Ų | 147.2 | 76% | 0.762 | 81% | 0.812 | S | S | * | * | cis | 94.4 | 126.1 | 7.4 | -72.3 | -70.6 | 8 | 0 | 0 | 119.9 | ||||
| 9 | L | 39.9 | Very low | 43.7 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 78% | 0.78 | 82% | 0.816 | S | S | * | * | trans | 58.7 | 163.2 | 179 | -71 | 115.6 | 0 | 0 | 0 | 115.9 | ||||
| 10 | V | 38.1 | Very low | 43.9 | Very low | 120 Ų | 120 | 142 Ų | 142 | 73% | 0.727 | 81% | 0.807 | S | S | * | * | cis | -151.5 | 140.3 | 12.7 | -122.1 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 11 | D | 45.2 | Very low | 44 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | 93.7 | 167.5 | 95.7 | -162.3 | 27.9 | 0 | 0 | 0 | 115.9 | |||||
| 12 | E | 36.1 | Very low | 44.7 | Very low | 173 Ų | 173 | 135.4 Ų | 135.4 | 81% | 0.808 | 78% | 0.782 | S | S | * | * | trans | 91.3 | 113.6 | 168.7 | -75.9 | -77.5 | 76 | 0 | 0 | 121.7 | ||||
| 13 | G | 40.1 | Very low | 45.7 | Very low | 57 Ų | 57 | 138.4 Ų | 138.4 | 59% | 0.588 | 78% | 0.784 | S | S | * | * | trans | 108.5 | 128.1 | 132.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | A15 | G13-A15 PolarHBondContact O-N 3.23Š| ||
| 14 | P | 46.1 | Very low | 46.7 | Very low | 134 Ų | 134 | 141.7 Ų | 141.7 | 87% | 0.87 | 79% | 0.786 | S | S | * | * | trans | -81 | 103.6 | -179.3 | 32.2 | -33.8 | 0 | 0 | 0 | 112.6 | L16 | P14-L16 VanDerWaalsContact C-N 3.32Å; P14-L16 PolarHBondContact O-N 2.85Å | ||
| 15 | A | 39.2 | Very low | 48 | Very low | 101 Ų | 101 | 136.2 Ų | 136.2 | 84% | 0.835 | 77% | 0.767 | S | S | * | * | trans | -69.6 | 86.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | G13 | G13-A15 PolarHBondContact O-N 3.23Š| ||
| 16 | L | 49.6 | Very low | 49.4 | Very low | 151 Ų | 151 | 136.4 Ų | 136.4 | 79% | 0.791 | 76% | 0.764 | S | S | * | * | trans | 47 | 100.2 | 148.7 | -162.2 | 70.7 | 0 | 0 | 0 | 116.2 | P14 K18 | P14-L16 VanDerWaalsContact C-N 3.32Å; P14-L16 PolarHBondContact O-N 2.85Å; L16-K18 PolarHBondContact O-N 3.01Å | ||
| 17 | R | 47.8 | Very low | 49.6 | Very low | 249 Ų | 249 | 142.3 Ų | 142.3 | 94% | 0.94 | 77% | 0.774 | S | S | * | * | trans | -47.6 | 103 | 163.2 | -74.7 | -83.5 | -161.1 | 135.1 | 5.3 | 109.7 | S19 | R17-S19 PolarHBondContact O-N 2.85Š| ||
| 18 | K | 44.8 | Very low | 50.9 | Low | 195 Ų | 195 | 144.7 Ų | 144.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | trans | -58.9 | 110.3 | 172.3 | -95.3 | -177.5 | 173.6 | 178 | 0 | 109.2 | L16 G20 | L16-K18 PolarHBondContact O-N 3.01Å; K18-G20 PolarHBondContact O-N 2.89Å | ||
| 19 | S | 48.7 | Very low | 52.4 | Low | 129 Ų | 129 | 142.5 Ų | 142.5 | 90% | 0.902 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69 | 83.2 | 166.3 | 54.5 | 0 | 0 | 0 | 0 | 109 | R17 | R17-S19 PolarHBondContact O-N 2.85Š|
| 20 | G | 47.5 | Very low | 54.2 | Low | 61 Ų | 61 | 146 Ų | 146 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -167.1 | -18.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115.9 | K18 M22 | K18-G20 PolarHBondContact O-N 2.89Å; G20-M22 PolarHBondContact O-N 3.39Å |
| 21 | A | 47.7 | Very low | 56 | Low | 80 Ų | 80 | 149.3 Ų | 149.3 | 66% | 0.661 | 78% | 0.783 | S | S | * | * | trans | -79.3 | 46.6 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 22 | M | 53.7 | Low | 57.5 | Low | 173 Ų | 173 | 149.5 Ų | 149.5 | 85% | 0.852 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -110.7 | 21.4 | 176.5 | -59.8 | -64.3 | -80 | 0 | 0 | 112.2 | G20 | G20-M22 PolarHBondContact O-N 3.39Š|
| 23 | N | 59.2 | Low | 59.6 | Low | 162 Ų | 162 | 146.9 Ų | 146.9 | 87% | 0.866 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -163.5 | 36.5 | 171.1 | -107.4 | -51.3 | 0 | 0 | 0 | 112.8 | P25 | N23-P25 VanDerWaalsContact O-CD 3.31Å; N23-P25 WeakPolarHBondContact O-CD 3.31Å |
| 24 | E | 59.1 | Low | 61.5 | Low | 148 Ų | 148 | 151 Ų | 151 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | -82.1 | 112.5 | 166.8 | -163.9 | 89 | -152.5 | 0 | 0 | 107.4 | F26 | E24-F26 PolarHBondContact O-N 2.9Š| ||
| 25 | P | 65.9 | Low | 62.9 | Low | 76 Ų | 76 | 147.8 Ų | 147.8 | 49% | 0.494 | 79% | 0.786 | S | S | . | * | trans | -66 | 127.4 | 176.1 | 27 | -32.3 | 0 | 0 | 0 | 108.8 | N23 Y27 L29 | N23-P25 VanDerWaalsContact O-CD 3.31Å; N23-P25 WeakPolarHBondContact O-CD 3.31Å; P25-Y27 PolarHBondContact O-N 3.3Å; P25-L29 HydrophobicContact CB-CB 4.39Å; P25-L29 HydrophobicContact CB-CD2 4.39Å | ||
| 26 | F | 69.6 | Low | 64.9 | Low | 177 Ų | 177 | 149 Ų | 149 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -48.7 | 139.5 | 167.6 | -77.7 | -96.5 | 0 | 0 | 0 | 109.1 | E24 L28 L29 | E24-F26 PolarHBondContact O-N 2.9Å; F26-L28 PolarHBondContact O-N 2.8Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 2.69Å | ||
| 27 | Y | 70.8 | Confident | 66.3 | Low | 227 Ų | 227 | 151 Ų | 151 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.1 | 0.8 | -171.1 | -63.5 | -81.9 | 0 | 0 | 0 | 117.4 | P25 | P25-Y27 PolarHBondContact O-N 3.3Š|
| 28 | L | 74.6 | Confident | 68.2 | Low | 170 Ų | 170 | 141.6 Ų | 141.6 | 89% | 0.89 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.1 | -11 | 175.5 | -61.2 | 176.5 | 0 | 0 | 0 | 113.7 | F26 R30 | F26-L28 PolarHBondContact O-N 2.8Å; L28-R30 PolarHBondContact O-N 3.14Å; L28-R30 VanDerWaalsContact O-N 3.14Å |
| 29 | L | 77.2 | Confident | 70.3 | Confident | 116 Ų | 116 | 135.3 Ų | 135.3 | 61% | 0.607 | 73% | 0.73 | S | S | * | * | trans | -81.1 | 90.2 | 175.5 | -173.2 | 68.5 | 0 | 0 | 0 | 108.9 | P25 F26 | P25-L29 HydrophobicContact CB-CB 4.39Å; P25-L29 HydrophobicContact CB-CD2 4.39Å; F26-L29 WeakPolarHBondContact O-CB 3.49Å; F26-L29 PolarHBondContact O-N 2.69Å | ||
| 30 | R | 77.4 | Confident | 72.3 | Confident | 223 Ų | 223 | 133.5 Ų | 133.5 | 84% | 0.842 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -63 | 138.7 | 164 | -73.4 | -175.3 | -176.4 | 164.7 | 3.3 | 109.1 | L28 L32 | L28-R30 PolarHBondContact O-N 3.14Å; L28-R30 VanDerWaalsContact O-N 3.14Å; R30-L32 PolarHBondContact O-N 3.32Å |
| 31 | E | 75.6 | Confident | 74.5 | Confident | 189 Ų | 189 | 137.3 Ų | 137.3 | 88% | 0.883 | 74% | 0.738 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 129.4 | 166.9 | -169.1 | 166.3 | -168.5 | 0 | 0 | 109 | ||
| 32 | L | 77 | Confident | 76.6 | Confident | 148 Ų | 148 | 135.4 Ų | 135.4 | 78% | 0.775 | 72% | 0.718 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 136 | -176.4 | -75.4 | 161.3 | 0 | 0 | 0 | 108.9 | R30 V34 | R30-L32 PolarHBondContact O-N 3.32Å; L32-V34 PolarHBondContact O-N 3.34Å |
| 33 | P | 79.8 | Confident | 78.5 | Confident | 118 Ų | 118 | 131.5 Ų | 131.5 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 135.9 | 173.2 | -24.9 | 33.8 | 0 | 0 | 0 | 110.2 | G35 | P33-G35 PolarHBondContact O-N 3.21Š|
| 34 | V | 80.9 | Confident | 80.2 | Confident | 143 Ų | 143 | 127.9 Ų | 127.9 | 87% | 0.867 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 127.6 | 179.4 | -169.1 | 0 | 0 | 0 | 0 | 108.8 | L32 N36 | L32-V34 PolarHBondContact O-N 3.34Å; V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.16Å |
| 35 | G | 73.9 | Confident | 81.8 | Confident | 68 Ų | 68 | 123.3 Ų | 123.3 | 70% | 0.701 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -56 | 121.1 | -173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | P33 E37 | P33-G35 PolarHBondContact O-N 3.21Å; G35-E37 PolarHBondContact O-N 3.13Å |
| 36 | N | 82 | Confident | 83.1 | Confident | 125 Ų | 125 | 122.6 Ų | 122.6 | 67% | 0.668 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 124.5 | 179.2 | -154.3 | 57.4 | 0 | 0 | 0 | 108.9 | V34 L38 T39 | V34-N36 PolarHBondContact O-N 3.16Å; V34-N36 VanDerWaalsContact O-N 3.16Å; N36-L38 PolarHBondContact ND2-O 3.4Å; N36-L38 PolarHBondContact O-N 3.24Å; N36-L38 VanDerWaalsContact O-N 3.13Å; N36-T39 WeakPolarHBondContact O-CG2 3.22Å |
| 37 | E | 78.8 | Confident | 84.3 | Confident | 195 Ų | 195 | 118.6 Ų | 118.6 | 91% | 0.911 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -58.8 | -32.8 | -171.6 | -60.2 | -158 | 125.1 | 0 | 0 | 113.2 | G35 | G35-E37 PolarHBondContact O-N 3.13Š|
| 38 | L | 87.9 | Confident | 85.5 | Confident | 50 Ų | 50 | 114 Ų | 114 | 26% | 0.262 | 62% | 0.62 | S | S | . | * | S | Bend | trans | -98.5 | 115.1 | 173.9 | -165 | 66.1 | 0 | 0 | 0 | 110.1 | N36 T42 L44 Y48 | N36-L38 PolarHBondContact ND2-O 3.4Å; N36-L38 PolarHBondContact O-N 3.24Å; N36-L38 VanDerWaalsContact O-N 3.13Å; L38-T42 HydrophobicContact CD1-CG2 3.81Å; L38-L44 HydrophobicContact CD1-CD2 3.55Å; L38-L44 HydrophobicContact CD2-CD2 3.86Å; L38-L44 HydrophobicContact CG-CD2 3.89Å; L38-Y48 HydrophobicContact CD2-CE2 4.38Å; L38-Y48 WeakPolarHBondContact CD2-OH 3.43Å |
| 39 | T | 89.5 | Confident | 86.4 | Confident | 63 Ų | 63 | 112.3 Ų | 112.3 | 39% | 0.387 | 61% | 0.612 | S | S | . | * | trans | -122 | 167.3 | 177.2 | 85.5 | 0 | 0 | 0 | 0 | 111.7 | N36 N41 T42 | N36-T39 WeakPolarHBondContact O-CG2 3.22Å; T39-N41 PolarHBondContact O-N 2.83Å; T39-N41 VanDerWaalsContact O-N 3.08Å; T39-N41 PolarHBondContact OG1-N 3.28Å; T39-N41 PolarHBondContact OG1-OD1 2.98Å; T39-T42 VanDerWaalsContact O-CB 3.29Å; T39-T42 WeakPolarHBondContact O-CB 3.29Å; T39-T42 PolarHBondContact O-N 3.46Å; T39-T42 PolarHBondContact O-OG1 2.94Å | ||
| 40 | G | 90.3 | Very high | 87.3 | Confident | 92 Ų | 92 | 111 Ų | 111 | 95% | 0.948 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | -11.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T42 | G40-T42 VanDerWaalsContact C-N 3.32Š|
| 41 | N | 93.1 | Very high | 88.1 | Confident | 141 Ų | 141 | 104.4 Ų | 104.4 | 75% | 0.754 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | -12.9 | 172.5 | 73.3 | 12.7 | 0 | 0 | 0 | 113.2 | T39 | T39-N41 PolarHBondContact O-N 2.83Å; T39-N41 VanDerWaalsContact O-N 3.08Å; T39-N41 PolarHBondContact OG1-N 3.28Å; T39-N41 PolarHBondContact OG1-OD1 2.98Å |
| 42 | T | 92.7 | Very high | 88.9 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 25% | 0.245 | 58% | 0.579 | C | S | . | * | S | Bend | trans | -86.6 | 125.3 | -171.4 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | L38 T39 G40 L44 H47 | L38-T42 HydrophobicContact CD1-CG2 3.81Å; T39-T42 VanDerWaalsContact O-CB 3.29Å; T39-T42 WeakPolarHBondContact O-CB 3.29Å; T39-T42 PolarHBondContact O-N 3.46Å; T39-T42 PolarHBondContact O-OG1 2.94Å; G40-T42 VanDerWaalsContact C-N 3.32Å; T42-L44 PolarHBondContact O-N 3.08Å; T42-H47 HydrophobicContact CG2-CB 4.23Å |
| 43 | N | 93.3 | Very high | 89.5 | Confident | 90 Ų | 90 | 98.4 Ų | 98.4 | 48% | 0.481 | 56% | 0.559 | S | S | . | * | trans | -68.6 | 100.5 | 176.1 | -177 | -4 | 0 | 0 | 0 | 110.1 | I45 T46 H47 | N43-I45 PolarHBondContact O-N 3.04Å; N43-I45 WeakPolarHBondContact OD1-CB 3.27Å; N43-I45 PolarHBondContact OD1-N 3.19Å; N43-T46 PolarHBondContact ND2-OG1 2.66Å; N43-T46 PolarHBondContact O-N 3.13Å; N43-T46 VanDerWaalsContact O-N 3.13Å; N43-H47 WeakPolarHBondContact O-CB 3.44Å; N43-H47 PolarHBondContact O-N 3.3Å | ||
| 44 | L | 93.8 | Very high | 90 | Very high | 87 Ų | 87 | 98.6 Ų | 98.6 | 46% | 0.455 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.3 | -28.7 | -179.1 | -56.3 | -173 | 0 | 0 | 0 | 113 | L38 T42 Y48 | L38-L44 HydrophobicContact CD1-CD2 3.55Å; L38-L44 HydrophobicContact CD2-CD2 3.86Å; L38-L44 HydrophobicContact CG-CD2 3.89Å; T42-L44 PolarHBondContact O-N 3.08Å; L44-Y48 HydrophobicContact CB-CD2 4.34Å; L44-Y48 HydrophobicContact CD2-CE2 4.4Å; L44-Y48 VanDerWaalsContact O-CD2 3.27Å; L44-Y48 WeakPolarHBondContact O-CD2 3.39Å; L44-Y48 PolarHBondContact O-N 2.94Å; L44-Y48 VanDerWaalsContact O-N 3.08Å |
| 45 | I | 93.7 | Very high | 90.5 | Very high | 52 Ų | 52 | 96.6 Ų | 96.6 | 27% | 0.267 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 178.6 | -53.4 | 178.6 | 0 | 0 | 0 | 109.8 | N43 N49 L50 E51 Y54 | N43-I45 PolarHBondContact O-N 3.04Å; N43-I45 WeakPolarHBondContact OD1-CB 3.27Å; N43-I45 PolarHBondContact OD1-N 3.19Å; I45-N49 PolarHBondContact O-N 2.89Å; I45-L50 HydrophobicContact CG2-CB 4.06Å; I45-L50 PolarHBondContact O-N 3.08Å; I45-E51 HydrophobicContact CG2-CB 4.4Å; I45-E51 HydrophobicContact CG2-CG 3.88Å; I45-Y54 HydrophobicContact CD1-CD1 4.45Å; I45-Y54 HydrophobicContact CD1-CD2 3.88Å; I45-Y54 HydrophobicContact CD1-CE2 4.17Å; I45-Y54 HydrophobicContact CD1-CG 4.03Å; I45-Y54 HydrophobicContact CG2-CG 4.45Å |
| 46 | T | 94.2 | Very high | 91.2 | Very high | 60 Ų | 60 | 100 Ų | 100 | 37% | 0.368 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -70.3 | -46.8 | 175.3 | -50.1 | 0 | 0 | 0 | 0 | 111.1 | N43 Y48 N49 E51 | N43-T46 PolarHBondContact ND2-OG1 2.66Å; N43-T46 PolarHBondContact O-N 3.13Å; N43-T46 VanDerWaalsContact O-N 3.13Å; T46-Y48 VanDerWaalsContact C-N 3.3Å; T46-Y48 PolarHBondContact O-N 3.08Å; T46-N49 PolarHBondContact O-N 2.83Å; T46-E51 VanDerWaalsContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CG2-OE1 3.22Å; T46-E51 PolarHBondContact OG1-OE1 3Å |
| 47 | H | 94.4 | Very high | 91.3 | Very high | 93 Ų | 93 | 99.4 Ų | 99.4 | 43% | 0.431 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -55.6 | -41.5 | -178.7 | -178.3 | -88.1 | 0 | 0 | 0 | 113.1 | T42 N43 | T42-H47 HydrophobicContact CG2-CB 4.23Å; N43-H47 WeakPolarHBondContact O-CB 3.44Å; N43-H47 PolarHBondContact O-N 3.3Å |
| 48 | Y | 94.8 | Very high | 91.6 | Very high | 130 Ų | 130 | 94.1 Ų | 94.1 | 51% | 0.51 | 50% | 0.501 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 12 | 176.7 | -64.2 | -65.4 | 0 | 0 | 0 | 113.9 | L38 L44 T46 L50 | L38-Y48 HydrophobicContact CD2-CE2 4.38Å; L38-Y48 WeakPolarHBondContact CD2-OH 3.43Å; L44-Y48 HydrophobicContact CB-CD2 4.34Å; L44-Y48 HydrophobicContact CD2-CE2 4.4Å; L44-Y48 VanDerWaalsContact O-CD2 3.27Å; L44-Y48 WeakPolarHBondContact O-CD2 3.39Å; L44-Y48 PolarHBondContact O-N 2.94Å; L44-Y48 VanDerWaalsContact O-N 3.08Å; T46-Y48 VanDerWaalsContact C-N 3.3Å; T46-Y48 PolarHBondContact O-N 3.08Å; Y48-L50 PolarHBondContact O-N 3.27Å |
| 49 | N | 94.8 | Very high | 91.2 | Very high | 135 Ų | 135 | 94.6 Ų | 94.6 | 72% | 0.722 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 31 | -179.9 | -59.6 | -79.1 | 0 | 0 | 0 | 114.4 | I45 T46 E51 | I45-N49 PolarHBondContact O-N 2.89Å; T46-N49 PolarHBondContact O-N 2.83Å; N49-E51 VanDerWaalsContact C-N 3.32Å; N49-E51 PolarHBondContact O-N 2.78Å |
| 50 | L | 95.3 | Very high | 90.8 | Very high | 89 Ų | 89 | 98.9 Ų | 98.9 | 47% | 0.466 | 53% | 0.531 | S | S | . | . | trans | -86.2 | 2.8 | -176.5 | -60.3 | 178.3 | 0 | 0 | 0 | 113.7 | I45 Y48 H52 A53 Y54 | I45-L50 HydrophobicContact CG2-CB 4.06Å; I45-L50 PolarHBondContact O-N 3.08Å; Y48-L50 PolarHBondContact O-N 3.27Å; L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.59Å; L50-A53 WeakPolarHBondContact O-CA 3.36Å; L50-A53 WeakPolarHBondContact O-CB 3.44Å; L50-A53 PolarHBondContact O-N 3.02Å; L50-Y54 PolarHBondContact O-N 2.91Å | ||
| 51 | E | 93.4 | Very high | 90.3 | Very high | 85 Ų | 85 | 104.5 Ų | 104.5 | 40% | 0.397 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.9 | -40.1 | -174.5 | -62.5 | 178.8 | 151.4 | 0 | 0 | 112.7 | I45 T46 N49 N55 | I45-E51 HydrophobicContact CG2-CB 4.4Å; I45-E51 HydrophobicContact CG2-CG 3.88Å; T46-E51 VanDerWaalsContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CB-OE1 3.28Å; T46-E51 WeakPolarHBondContact CG2-OE1 3.22Å; T46-E51 PolarHBondContact OG1-OE1 3Å; N49-E51 VanDerWaalsContact C-N 3.32Å; N49-E51 PolarHBondContact O-N 2.78Å; E51-N55 VanDerWaalsContact O-CB 3.3Å; E51-N55 WeakPolarHBondContact O-CB 3.35Å; E51-N55 PolarHBondContact O-N 3.05Å; E51-N55 PolarHBondContact O-ND2 2.89Å |
| 52 | H | 92.5 | Very high | 89.7 | Confident | 166 Ų | 166 | 102.4 Ų | 102.4 | 77% | 0.769 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -65 | -37.6 | 174 | -71.3 | -50.4 | 0 | 0 | 0 | 112.6 | L50 K56 | L50-H52 VanDerWaalsContact C-N 3.31Å; L50-H52 PolarHBondContact O-N 2.59Å; H52-K56 WeakPolarHBondContact O-CB 3.47Å; H52-K56 PolarHBondContact O-N 2.89Å |
| 53 | A | 90.8 | Very high | 88.9 | Confident | 45 Ų | 45 | 106.4 Ų | 106.4 | 37% | 0.372 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.4 | -47 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | L50 N55 K56 F57 | L50-A53 WeakPolarHBondContact O-CA 3.36Å; L50-A53 WeakPolarHBondContact O-CB 3.44Å; L50-A53 PolarHBondContact O-N 3.02Å; A53-N55 PolarHBondContact O-N 2.95Å; A53-K56 PolarHBondContact O-N 3.28Å; A53-F57 VanDerWaalsContact O-CD2 3.27Å; A53-F57 WeakPolarHBondContact O-CD2 3.28Å; A53-F57 PolarHBondContact O-N 2.95Å |
| 54 | Y | 90.9 | Very high | 88.3 | Confident | 121 Ų | 121 | 111 Ų | 111 | 48% | 0.475 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -57.1 | -50.8 | 175.8 | 179.7 | -99.8 | 0 | 0 | 0 | 111.8 | I45 L50 K56 F57 C58 G59 | I45-Y54 HydrophobicContact CD1-CD1 4.45Å; I45-Y54 HydrophobicContact CD1-CD2 3.88Å; I45-Y54 HydrophobicContact CD1-CE2 4.17Å; I45-Y54 HydrophobicContact CD1-CG 4.03Å; I45-Y54 HydrophobicContact CG2-CG 4.45Å; L50-Y54 PolarHBondContact O-N 2.91Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 3.2Å; Y54-F57 PolarHBondContact O-N 3.47Å; Y54-C58 HydrophobicContact CD2-CB 3.64Å; Y54-C58 HydrophobicContact CE2-CB 3.62Å; Y54-C58 HydrophobicContact CG-CB 4.26Å; Y54-C58 WeakPolarHBondContact O-CA 3.32Å; Y54-C58 VanDerWaalsContact O-CB 3.28Å; Y54-C58 WeakPolarHBondContact O-CB 3.42Å; Y54-C58 PolarHBondContact O-N 3.2Å; Y54-G59 PolarHBondContact O-N 3.37Å |
| 55 | N | 91.2 | Very high | 87.9 | Confident | 101 Ų | 101 | 112.6 Ų | 112.6 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -64.2 | -33.6 | 178.4 | -75.6 | -46.1 | 0 | 0 | 0 | 113.1 | E51 A53 | E51-N55 VanDerWaalsContact O-CB 3.3Å; E51-N55 WeakPolarHBondContact O-CB 3.35Å; E51-N55 PolarHBondContact O-N 3.05Å; E51-N55 PolarHBondContact O-ND2 2.89Å; A53-N55 PolarHBondContact O-N 2.95Å |
| 56 | K | 87.8 | Confident | 87.5 | Confident | 140 Ų | 140 | 114.3 Ų | 114.3 | 61% | 0.609 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -72.5 | -40.3 | 179.2 | -178.3 | 175.3 | 176.9 | -177.7 | 0 | 113 | H52 A53 Y54 | H52-K56 WeakPolarHBondContact O-CB 3.47Å; H52-K56 PolarHBondContact O-N 2.89Å; A53-K56 PolarHBondContact O-N 3.28Å; Y54-K56 VanDerWaalsContact C-N 3.31Å; Y54-K56 PolarHBondContact O-N 3.2Å |
| 57 | F | 85 | Confident | 87.2 | Confident | 112 Ų | 112 | 113.2 Ų | 113.2 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -111.2 | -34.1 | -168.7 | -62.2 | -66.7 | 0 | 0 | 0 | 114.8 | A53 Y54 | A53-F57 VanDerWaalsContact O-CD2 3.27Å; A53-F57 WeakPolarHBondContact O-CD2 3.28Å; A53-F57 PolarHBondContact O-N 2.95Å; Y54-F57 PolarHBondContact O-N 3.47Å |
| 58 | C | 84.3 | Confident | 86.8 | Confident | 85 Ų | 85 | 111.7 Ų | 111.7 | 57% | 0.574 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.3 | -28.2 | -179.3 | -57.1 | 0 | 0 | 0 | 0 | 112.8 | Y54 K60 | Y54-C58 HydrophobicContact CD2-CB 3.64Å; Y54-C58 HydrophobicContact CE2-CB 3.62Å; Y54-C58 HydrophobicContact CG-CB 4.26Å; Y54-C58 WeakPolarHBondContact O-CA 3.32Å; Y54-C58 VanDerWaalsContact O-CB 3.28Å; Y54-C58 WeakPolarHBondContact O-CB 3.42Å; Y54-C58 PolarHBondContact O-N 3.2Å; C58-K60 PolarHBondContact O-N 3.49Å; C58-K60 VanDerWaalsContact O-N 3.16Å |
| 59 | G | 79.3 | Confident | 86.5 | Confident | 59 Ų | 59 | 111.2 Ų | 111.2 | 61% | 0.608 | 56% | 0.557 | S | S | * | * | S | Bend | trans | -71.7 | -1.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y54 | Y54-G59 PolarHBondContact O-N 3.37Š|
| 60 | K | 81.9 | Confident | 86.2 | Confident | 154 Ų | 154 | 108.1 Ų | 108.1 | 67% | 0.67 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -140.3 | 150.9 | -176.4 | -64.6 | 174.3 | -173.1 | 168.1 | 0 | 109.6 | C58 V62 | C58-K60 PolarHBondContact O-N 3.49Å; C58-K60 VanDerWaalsContact O-N 3.16Å; K60-V62 PolarHBondContact O-N 3.35Å; K60-V62 VanDerWaalsContact O-N 3.08Å |
| 61 | K | 78.5 | Confident | 85.6 | Confident | 209 Ų | 209 | 108.9 Ų | 108.9 | 91% | 0.909 | 55% | 0.551 | S | S | * | * | trans | -59.5 | 117.1 | 170.1 | -67.6 | -167.4 | 176.6 | -168.9 | 0 | 109.1 | ||||
| 62 | V | 80.5 | Confident | 85.2 | Confident | 97 Ų | 97 | 113.9 Ų | 113.9 | 59% | 0.588 | 57% | 0.574 | S | S | * | * | trans | -60.7 | 137.9 | 177.8 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | K60 E64 | K60-V62 PolarHBondContact O-N 3.35Å; K60-V62 VanDerWaalsContact O-N 3.08Å; V62-E64 PolarHBondContact O-N 3.35Å | ||
| 63 | K | 76.8 | Confident | 84.9 | Confident | 124 Ų | 124 | 110.4 Ų | 110.4 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | trans | -78.9 | 109.6 | 172.2 | -63.2 | -171.8 | -174 | 177.5 | 0 | 107.8 | N68 F69 | K63-N68 HydrophobicContact CB-CB 3.66Å; K63-N68 HydrophobicContact CD-CB 3.48Å; K63-N68 VanDerWaalsContact CD-CB 3.48Å; K63-N68 HydrophobicContact CG-CB 4.25Å; K63-F69 HydrophobicContact CB-CZ 4.46Å; K63-F69 WeakPolarHBondContact O-CE2 3.39Å; K63-F69 WeakPolarHBondContact O-CZ 3.27Å | ||
| 64 | E | 79.9 | Confident | 84.4 | Confident | 186 Ų | 186 | 112.4 Ų | 112.4 | 87% | 0.869 | 57% | 0.569 | S | S | * | * | trans | -73.4 | -30.4 | -169.8 | -66 | 165.8 | -177.9 | 0 | 0 | 114.3 | V62 | V62-E64 PolarHBondContact O-N 3.35Š| ||
| 65 | K | 86.1 | Confident | 83.8 | Confident | 122 Ų | 122 | 107.1 Ų | 107.1 | 53% | 0.53 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -84.1 | 137.8 | -174.9 | -61.3 | 179.7 | 155.8 | -124 | 0 | 112.6 | S67 N68 D78 | K65-S67 PolarHBondContact O-N 3.42Å; K65-N68 WeakPolarHBondContact CB-ND2 3.44Å; K65-N68 VanDerWaalsContact O-CB 3.26Å; K65-N68 WeakPolarHBondContact O-CB 3.42Å; K65-N68 PolarHBondContact O-N 2.82Å; K65-N68 PolarHBondContact O-ND2 2.95Å; K65-D78 WeakPolarHBondContact CB-OD1 3.21Å; K65-D78 WeakPolarHBondContact CD-OD2 3.3Å; K65-D78 IonicContact NZ-OD2 3.08Å |
| 66 | L | 85.4 | Confident | 83.2 | Confident | 87 Ų | 87 | 107.3 Ų | 107.3 | 46% | 0.455 | 55% | 0.551 | S | S | . | * | G | 310 helix | trans | -58.6 | -35.6 | 179.7 | -174.6 | 58.7 | 0 | 0 | 0 | 112.4 | N68 F69 L70 I77 D78 | L66-N68 PolarHBondContact O-N 3.16Å; L66-F69 PolarHBondContact O-N 2.75Å; L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD1-CG 4.27Å; L66-L70 HydrophobicContact CD2-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.92Å; L66-L70 HydrophobicContact CG-CG 4.44Å; L66-L70 PolarHBondContact O-N 3.23Å; L66-L70 VanDerWaalsContact O-N 3.08Å; L66-I77 HydrophobicContact CG-CD1 4.46Å; L66-D78 PolarHBondContact N-OD1 2.86Å; L66-D78 VanDerWaalsContact N-OD1 3.11Å |
| 67 | S | 86.9 | Confident | 83 | Confident | 37 Ų | 37 | 102.5 Ų | 102.5 | 26% | 0.259 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -55.7 | -17.8 | 173.3 | 59 | 0 | 0 | 0 | 0 | 115.3 | K65 D78 | K65-S67 PolarHBondContact O-N 3.42Å; S67-D78 VanDerWaalsContact CB-OD1 3.3Å; S67-D78 WeakPolarHBondContact CB-OD1 3.26Å; S67-D78 PolarHBondContact N-OD1 3.37Å; S67-D78 VanDerWaalsContact OG-CG 3.25Å; S67-D78 PolarHBondContact OG-OD1 2.96Å; S67-D78 PolarHBondContact OG-OD2 3.22Å |
| 68 | N | 87.3 | Confident | 82.9 | Confident | 62 Ų | 62 | 100.1 Ų | 100.1 | 33% | 0.332 | 52% | 0.524 | S | S | . | . | G | 310 helix | trans | -81.5 | -21.8 | 173.7 | -68.2 | -70.4 | 0 | 0 | 0 | 114.7 | K63 K65 L66 | K63-N68 HydrophobicContact CB-CB 3.66Å; K63-N68 HydrophobicContact CD-CB 3.48Å; K63-N68 VanDerWaalsContact CD-CB 3.48Å; K63-N68 HydrophobicContact CG-CB 4.25Å; K65-N68 WeakPolarHBondContact CB-ND2 3.44Å; K65-N68 VanDerWaalsContact O-CB 3.26Å; K65-N68 WeakPolarHBondContact O-CB 3.42Å; K65-N68 PolarHBondContact O-N 2.82Å; K65-N68 PolarHBondContact O-ND2 2.95Å; L66-N68 PolarHBondContact O-N 3.16Å |
| 69 | F | 87.6 | Confident | 82.8 | Confident | 119 Ų | 119 | 99.3 Ų | 99.3 | 52% | 0.522 | 52% | 0.518 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -25 | 178.9 | -58.5 | -78 | 0 | 0 | 0 | 111.7 | K63 L66 P71 | K63-F69 HydrophobicContact CB-CZ 4.46Å; K63-F69 WeakPolarHBondContact O-CE2 3.39Å; K63-F69 WeakPolarHBondContact O-CZ 3.27Å; L66-F69 PolarHBondContact O-N 2.75Å; F69-P71 WeakPolarHBondContact O-CD 3.37Å |
| 70 | L | 89.1 | Confident | 82.6 | Confident | 71 Ų | 71 | 99.7 Ų | 99.7 | 37% | 0.372 | 51% | 0.51 | S | S | . | . | trans | -114.5 | 60.1 | 175.7 | -56.3 | 178.6 | 0 | 0 | 0 | 111.2 | L66 E72 L73 I77 | L66-L70 HydrophobicContact CD1-CD1 3.98Å; L66-L70 HydrophobicContact CD1-CG 4.27Å; L66-L70 HydrophobicContact CD2-CD1 4.2Å; L66-L70 HydrophobicContact CG-CD1 3.92Å; L66-L70 HydrophobicContact CG-CG 4.44Å; L66-L70 PolarHBondContact O-N 3.23Å; L66-L70 VanDerWaalsContact O-N 3.08Å; L70-E72 PolarHBondContact O-N 3.4Å; L70-L73 HydrophobicContact CB-CB 4.02Å; L70-L73 HydrophobicContact CD1-CD1 4.47Å; L70-L73 PolarHBondContact O-N 3.32Å; L70-I77 HydrophobicContact CB-CD1 3.61Å; L70-I77 HydrophobicContact CD1-CD1 4.11Å; L70-I77 HydrophobicContact CG-CD1 4.41Å | ||
| 71 | P | 83.4 | Confident | 82 | Confident | 105 Ų | 105 | 93.7 Ų | 93.7 | 68% | 0.682 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.4 | -17.3 | -173 | 30.4 | -37.6 | 0 | 0 | 0 | 114.2 | F69 | F69-P71 WeakPolarHBondContact O-CD 3.37Š|
| 72 | E | 84.9 | Confident | 81.6 | Confident | 189 Ų | 189 | 89.2 Ų | 89.2 | 88% | 0.883 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -12.5 | 179.8 | -65 | -179.7 | 178.7 | 0 | 0 | 112.8 | L70 P74 | L70-E72 PolarHBondContact O-N 3.4Å; E72-P74 WeakPolarHBondContact O-CD 3.11Å |
| 73 | L | 85.2 | Confident | 81.2 | Confident | 94 Ų | 94 | 92.1 Ų | 92.1 | 49% | 0.492 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -84.8 | 118.6 | -176.5 | -151.3 | 139.9 | 0 | 0 | 0 | 109.9 | L70 I77 | L70-L73 HydrophobicContact CB-CB 4.02Å; L70-L73 HydrophobicContact CD1-CD1 4.47Å; L70-L73 PolarHBondContact O-N 3.32Å; L73-I77 HydrophobicContact CD2-CG2 3.58Å |
| 74 | P | 80.7 | Confident | 81 | Confident | 86 Ų | 86 | 91.4 Ų | 91.4 | 56% | 0.558 | 49% | 0.492 | S | S | * | . | trans | -73.9 | 156.1 | -177.5 | 30.8 | -35.4 | 0 | 0 | 0 | 112.1 | E72 Q130 | E72-P74 WeakPolarHBondContact O-CD 3.11Å; P74-Q130 HydrophobicContact CB-CG 4.29Å | ||
| 75 | G | 77.7 | Confident | 80.6 | Confident | 10 Ų | 10 | 85 Ų | 85 | 10% | 0.103 | 48% | 0.476 | C | S | . | . | S | Bend | trans | 100.2 | -173.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | I77 M127 | G75-I77 PolarHBondContact O-N 3Å; G75-M127 WeakPolarHBondContact CA-O 3.45Å |
| 76 | M | 79 | Confident | 80.1 | Confident | 105 Ų | 105 | 83 Ų | 83 | 52% | 0.517 | 48% | 0.477 | S | S | . | . | trans | -91.5 | 67.7 | -175.9 | -74.7 | -177.4 | 45.1 | 0 | 0 | 112.6 | D78 C79 | M76-D78 VanDerWaalsContact C-N 3.26Å; M76-D78 PolarHBondContact O-N 3.08Å; M76-C79 PolarHBondContact O-SG 3.38Å; M76-C79 VanDerWaalsContact O-SG 3.33Å | ||
| 77 | I | 83.4 | Confident | 80.1 | Confident | 39 Ų | 39 | 80.7 Ų | 80.7 | 20% | 0.2 | 47% | 0.468 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77 | -3.4 | -174.4 | 59.4 | 164.9 | 0 | 0 | 0 | 115.5 | L66 L70 L73 G75 C79 | L66-I77 HydrophobicContact CG-CD1 4.46Å; L70-I77 HydrophobicContact CB-CD1 3.61Å; L70-I77 HydrophobicContact CD1-CD1 4.11Å; L70-I77 HydrophobicContact CG-CD1 4.41Å; L73-I77 HydrophobicContact CD2-CG2 3.58Å; G75-I77 PolarHBondContact O-N 3Å; I77-C79 VanDerWaalsContact C-N 3.3Å |
| 78 | D | 84.1 | Confident | 80.1 | Confident | 62 Ų | 62 | 85.1 Ų | 85.1 | 33% | 0.332 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 3.5 | 176.1 | -68.3 | -25.5 | 0 | 0 | 0 | 113.1 | K65 L66 S67 M76 | K65-D78 WeakPolarHBondContact CB-OD1 3.21Å; K65-D78 WeakPolarHBondContact CD-OD2 3.3Å; K65-D78 IonicContact NZ-OD2 3.08Å; L66-D78 PolarHBondContact N-OD1 2.86Å; L66-D78 VanDerWaalsContact N-OD1 3.11Å; S67-D78 VanDerWaalsContact CB-OD1 3.3Å; S67-D78 WeakPolarHBondContact CB-OD1 3.26Å; S67-D78 PolarHBondContact N-OD1 3.37Å; S67-D78 VanDerWaalsContact OG-CG 3.25Å; S67-D78 PolarHBondContact OG-OD1 2.96Å; S67-D78 PolarHBondContact OG-OD2 3.22Å; M76-D78 VanDerWaalsContact C-N 3.26Å; M76-D78 PolarHBondContact O-N 3.08Å |
| 79 | C | 80.4 | Confident | 80.1 | Confident | 68 Ų | 68 | 89.6 Ų | 89.6 | 46% | 0.459 | 50% | 0.5 | S | S | . | . | S | Bend | trans | -77.7 | 132.3 | 179.1 | -61.3 | 0 | 0 | 0 | 0 | 111 | M76 I77 G81 | M76-C79 PolarHBondContact O-SG 3.38Å; M76-C79 VanDerWaalsContact O-SG 3.33Å; I77-C79 VanDerWaalsContact C-N 3.3Å; C79-G81 PolarHBondContact O-N 3.03Å |
| 80 | P | 75.6 | Confident | 80 | Confident | 67 Ų | 67 | 86.8 Ų | 86.8 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | trans | -75.6 | 120.8 | -179.5 | 28.9 | -32.2 | 0 | 0 | 0 | 111.4 | T82 Q83 | P80-T82 PolarHBondContact O-N 3.08Å; P80-Q83 HydrophobicContact CG-CG 4.11Å; P80-Q83 PolarHBondContact O-N 3.34Å; P80-Q83 VanDerWaalsContact O-N 3.09Å | ||
| 81 | G | 69.4 | Low | 79.9 | Confident | 29 Ų | 29 | 88 Ų | 88 | 30% | 0.299 | 50% | 0.502 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 15.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | C79 D84 S86 S87 | C79-G81 PolarHBondContact O-N 3.03Å; G81-D84 VanDerWaalsContact C-OD1 3.22Å; G81-D84 VanDerWaalsContact CA-OD1 3.26Å; G81-D84 WeakPolarHBondContact CA-OD1 3.3Å; G81-S86 PolarHBondContact O-N 3.09Å; G81-S87 WeakPolarHBondContact O-CB 3.02Å; G81-S87 PolarHBondContact O-N 2.87Å |
| 82 | T | 70.6 | Confident | 80.1 | Confident | 115 Ų | 115 | 88.4 Ų | 88.4 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -17.2 | 164.8 | 27 | 0 | 0 | 0 | 0 | 112.5 | P80 | P80-T82 PolarHBondContact O-N 3.08Š|
| 83 | Q | 71.8 | Confident | 80.3 | Confident | 157 Ų | 157 | 83.7 Ų | 83.7 | 73% | 0.734 | 48% | 0.478 | S | S | * | . | S | Bend | trans | -78.7 | -25.1 | -176.8 | -68.7 | -179.4 | -13 | 0 | 0 | 113.6 | P80 | P80-Q83 HydrophobicContact CG-CG 4.11Å; P80-Q83 PolarHBondContact O-N 3.34Å; P80-Q83 VanDerWaalsContact O-N 3.09Å |
| 84 | D | 72.5 | Confident | 80.4 | Confident | 110 Ų | 110 | 87.1 Ų | 87.1 | 59% | 0.588 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -116 | 0.4 | -175.7 | 63.7 | -25.6 | 0 | 0 | 0 | 112.8 | G81 S86 | G81-D84 VanDerWaalsContact C-OD1 3.22Å; G81-D84 VanDerWaalsContact CA-OD1 3.26Å; G81-D84 WeakPolarHBondContact CA-OD1 3.3Å; D84-S86 PolarHBondContact O-N 3.33Å; D84-S86 PolarHBondContact OD1-N 3.41Å; D84-S86 PolarHBondContact OD1-OG 3.32Å; D84-S86 WeakPolarHBondContact OD2-CB 3.47Å; D84-S86 PolarHBondContact OD2-OG 3Å |
| 85 | G | 72.3 | Confident | 80.5 | Confident | 52 Ų | 52 | 87.5 Ų | 87.5 | 54% | 0.536 | 49% | 0.492 | S | S | . | . | S | Bend | trans | 74 | 5.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | S87 | G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.27Å |
| 86 | S | 75.3 | Confident | 80.6 | Confident | 80 Ų | 80 | 90.7 Ų | 90.7 | 56% | 0.559 | 51% | 0.51 | S | S | * | . | trans | -80.6 | 0.4 | -174.1 | 69 | 0 | 0 | 0 | 0 | 114.9 | G81 D84 L88 | G81-S86 PolarHBondContact O-N 3.09Å; D84-S86 PolarHBondContact O-N 3.33Å; D84-S86 PolarHBondContact OD1-N 3.41Å; D84-S86 PolarHBondContact OD1-OG 3.32Å; D84-S86 WeakPolarHBondContact OD2-CB 3.47Å; D84-S86 PolarHBondContact OD2-OG 3Å; S86-L88 PolarHBondContact O-N 3.34Å | ||
| 87 | S | 83.8 | Confident | 80.6 | Confident | 37 Ų | 37 | 93 Ų | 93 | 26% | 0.259 | 53% | 0.53 | S | S | . | . | trans | -56.3 | 131.7 | -176 | 72.4 | 0 | 0 | 0 | 0 | 113.7 | G81 G85 R89 S90 | G81-S87 WeakPolarHBondContact O-CB 3.02Å; G81-S87 PolarHBondContact O-N 2.87Å; G85-S87 VanDerWaalsContact C-N 3.27Å; G85-S87 PolarHBondContact O-N 3.27Å; S87-R89 PolarHBondContact O-N 2.66Å; S87-R89 VanDerWaalsContact O-N 3.08Å; S87-S90 WeakPolarHBondContact O-CB 3.26Å; S87-S90 PolarHBondContact O-N 2.97Å; S87-S90 PolarHBondContact OG-N 3.36Å | ||
| 88 | L | 87.3 | Confident | 79.7 | Confident | 131 Ų | 131 | 94.2 Ų | 94.2 | 69% | 0.686 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -53.4 | -28.2 | 169 | -83.5 | 169.1 | 0 | 0 | 0 | 112.8 | S86 L91 I92 | S86-L88 PolarHBondContact O-N 3.34Å; L88-L91 HydrophobicContact CD2-CD2 4.32Å; L88-L91 WeakPolarHBondContact O-CB 3.22Å; L88-L91 PolarHBondContact O-N 3.4Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.02Å |
| 89 | R | 87.5 | Confident | 79.1 | Confident | 155 Ų | 155 | 94 Ų | 94 | 59% | 0.585 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -63.1 | -41.5 | 178 | -172 | 67.9 | -155 | -169.9 | 7 | 111.8 | S87 L91 I92 D93 | S87-R89 PolarHBondContact O-N 2.66Å; S87-R89 VanDerWaalsContact O-N 3.08Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-L91 PolarHBondContact O-N 2.83Å; R89-I92 PolarHBondContact O-N 3.11Å; R89-D93 WeakPolarHBondContact CG-OD2 3.49Å; R89-D93 IonicContact CZ-OD1 2.66Å; R89-D93 IonicContact CZ-OD2 3.67Å; R89-D93 VanDerWaalsContact NE-CG 3.29Å; R89-D93 IonicContact NE-OD1 3.19Å; R89-D93 PolarHBondContact NE-OD1 3.27Å; R89-D93 VanDerWaalsContact NE-OD1 3.08Å; R89-D93 IonicContact NE-OD2 3.68Å; R89-D93 PolarHBondContact NE-OD2 3.15Å; R89-D93 IonicContact NH2-OD1 2.83Å; R89-D93 PolarHBondContact NH2-OD1 3.04Å; R89-D93 IonicContact NH2-OD2 3.57Å; R89-D93 WeakPolarHBondContact O-CB 3.47Å; R89-D93 PolarHBondContact O-N 3Å |
| 90 | S | 86.6 | Confident | 78.6 | Confident | 61 Ų | 61 | 99.3 Ų | 99.3 | 43% | 0.427 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -58.2 | -42.6 | 173.9 | -169.3 | 0 | 0 | 0 | 0 | 111.7 | S87 K94 | S87-S90 WeakPolarHBondContact O-CB 3.26Å; S87-S90 PolarHBondContact O-N 2.97Å; S87-S90 PolarHBondContact OG-N 3.36Å; S90-K94 PolarHBondContact O-N 3.05Å |
| 91 | L | 85.9 | Confident | 78.8 | Confident | 97 Ų | 97 | 100.5 Ų | 100.5 | 51% | 0.508 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -66.7 | -35.1 | 177.7 | -166.8 | 77.1 | 0 | 0 | 0 | 112.9 | L88 R89 K94 P95 P96 | L88-L91 HydrophobicContact CD2-CD2 4.32Å; L88-L91 WeakPolarHBondContact O-CB 3.22Å; L88-L91 PolarHBondContact O-N 3.4Å; R89-L91 VanDerWaalsContact C-N 3.29Å; R89-L91 PolarHBondContact O-N 2.83Å; L91-K94 CarbonylContact O-C 3.37Å; L91-P95 WeakPolarHBondContact O-CA 3.19Å; L91-P96 HydrophobicContact CD1-CG 3.87Å |
| 92 | I | 88.5 | Confident | 79.4 | Confident | 113 Ų | 113 | 107.6 Ų | 107.6 | 58% | 0.579 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -75.2 | -43.5 | 177.7 | -67.6 | 163.2 | 0 | 0 | 0 | 111.2 | L88 R89 K94 | L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.02Å; R89-I92 PolarHBondContact O-N 3.11Å; I92-K94 VanDerWaalsContact C-N 3.34Å |
| 93 | D | 88.7 | Confident | 80 | Confident | 90 Ų | 90 | 107.4 Ų | 107.4 | 48% | 0.481 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.5 | -27 | -178.7 | -70 | -30 | 0 | 0 | 0 | 112.4 | R89 | R89-D93 WeakPolarHBondContact CG-OD2 3.49Å; R89-D93 IonicContact CZ-OD1 2.66Å; R89-D93 IonicContact CZ-OD2 3.67Å; R89-D93 VanDerWaalsContact NE-CG 3.29Å; R89-D93 IonicContact NE-OD1 3.19Å; R89-D93 PolarHBondContact NE-OD1 3.27Å; R89-D93 VanDerWaalsContact NE-OD1 3.08Å; R89-D93 IonicContact NE-OD2 3.68Å; R89-D93 PolarHBondContact NE-OD2 3.15Å; R89-D93 IonicContact NH2-OD1 2.83Å; R89-D93 PolarHBondContact NH2-OD1 3.04Å; R89-D93 IonicContact NH2-OD2 3.57Å; R89-D93 WeakPolarHBondContact O-CB 3.47Å; R89-D93 PolarHBondContact O-N 3Å |
| 94 | K | 86.3 | Confident | 80.7 | Confident | 166 Ų | 166 | 105.5 Ų | 105.5 | 72% | 0.722 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -134.4 | 76.7 | 176.1 | -64.9 | -176.9 | -178.7 | 179.2 | 0 | 109.3 | S90 L91 I92 | S90-K94 PolarHBondContact O-N 3.05Å; L91-K94 CarbonylContact O-C 3.37Å; I92-K94 VanDerWaalsContact C-N 3.34Å |
| 95 | P | 82.9 | Confident | 81.4 | Confident | 94 Ų | 94 | 105.4 Ų | 105.4 | 61% | 0.61 | 61% | 0.614 | S | S | * | * | trans | -58.6 | 127 | 175.8 | 24.8 | -33.2 | 0 | 0 | 0 | 108.8 | L91 | L91-P95 WeakPolarHBondContact O-CA 3.19Š| ||
| 96 | P | 80.7 | Confident | 82.3 | Confident | 76 Ų | 76 | 107.3 Ų | 107.3 | 49% | 0.494 | 62% | 0.615 | S | S | . | * | trans | -60.6 | 143.9 | 175 | 25.6 | -33.4 | 0 | 0 | 0 | 108.6 | L91 C98 | L91-P96 HydrophobicContact CD1-CG 3.87Å; P96-C98 PolarHBondContact O-N 3.39Å | ||
| 97 | V | 79.4 | Confident | 83 | Confident | 153 Ų | 153 | 106.3 Ų | 106.3 | 93% | 0.927 | 62% | 0.618 | S | S | * | * | trans | -75.8 | 65.9 | 177.1 | -169 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 98 | C | 64.2 | Low | 83.2 | Confident | 65 Ų | 65 | 108.1 Ų | 108.1 | 44% | 0.439 | 64% | 0.635 | S | S | . | * | trans | -75.4 | 131.8 | 164.3 | -63.4 | 0 | 0 | 0 | 0 | 107.7 | P96 | P96-C98 PolarHBondContact O-N 3.39Š| ||
| 99 | G | 70.4 | Confident | 83.2 | Confident | 57 Ų | 57 | 104.2 Ų | 104.2 | 59% | 0.588 | 62% | 0.618 | S | S | * | * | trans | -68.2 | -166.9 | 163.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | S101 | G99-S101 PolarHBondContact O-N 3.4Š| ||
| 100 | N | 70.9 | Confident | 83.4 | Confident | 181 Ų | 181 | 101.1 Ų | 101.1 | 97% | 0.968 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -64.5 | -1.6 | -172.9 | -60.5 | 30.4 | 0 | 0 | 0 | 115.3 | ||
| 101 | S | 79.4 | Confident | 83.4 | Confident | 91 Ų | 91 | 102 Ų | 102 | 64% | 0.636 | 62% | 0.616 | S | S | * | * | S | Bend | trans | -153.6 | 156.9 | 176.2 | 60.6 | 0 | 0 | 0 | 0 | 112.9 | G99 | G99-S101 PolarHBondContact O-N 3.4Š|
| 102 | F | 82.7 | Confident | 83.4 | Confident | 179 Ų | 179 | 100.7 Ų | 100.7 | 79% | 0.785 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 125.3 | 166.8 | -63.8 | -80.7 | 0 | 0 | 0 | 109.8 | ||
| 103 | S | 83.4 | Confident | 83.5 | Confident | 111 Ų | 111 | 102.2 Ų | 102.2 | 78% | 0.776 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 126.6 | 170.1 | -63 | 0 | 0 | 0 | 0 | 110.1 | ||
| 104 | P | 86.2 | Confident | 83.5 | Confident | 116 Ų | 116 | 107 Ų | 107 | 75% | 0.753 | 64% | 0.64 | S | S | * | * | P | Polyproline II helix | trans | -65.4 | 146.5 | 175.3 | 27.7 | -34.1 | 0 | 0 | 0 | 111.1 | T106 | P104-T106 PolarHBondContact O-N 3.34Š|
| 105 | L | 87.5 | Confident | 83.5 | Confident | 108 Ų | 108 | 107.2 Ų | 107.2 | 57% | 0.565 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 124.8 | 176 | -69.5 | 178.9 | 0 | 0 | 0 | 110.5 | S109 L110 F113 | L105-S109 WeakPolarHBondContact CB-OG 3.4Å; L105-L110 HydrophobicContact CB-CD2 3.97Å; L105-L110 HydrophobicContact CB-CG 4.27Å; L105-L110 HydrophobicContact CD1-CD2 4.07Å; L105-F113 HydrophobicContact CD1-CE2 4Å; L105-F113 HydrophobicContact CD1-CZ 4.08Å |
| 106 | T | 90.4 | Very high | 83.5 | Confident | 93 Ų | 93 | 111.6 Ų | 111.6 | 57% | 0.571 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 155.7 | 177 | 65 | 0 | 0 | 0 | 0 | 111 | P104 A108 S109 L110 | P104-T106 PolarHBondContact O-N 3.34Å; T106-A108 PolarHBondContact O-N 3.08Å; T106-A108 VanDerWaalsContact O-N 3.08Å; T106-S109 PolarHBondContact N-OG 3.16Å; T106-S109 WeakPolarHBondContact O-CA 3.49Å; T106-S109 PolarHBondContact O-N 2.9Å; T106-S109 PolarHBondContact O-OG 3.41Å; T106-S109 PolarHBondContact OG1-N 3.21Å; T106-L110 PolarHBondContact O-N 3.07Å |
| 107 | G | 90 | Very high | 83.8 | Confident | 59 Ų | 59 | 115.1 Ų | 115.1 | 61% | 0.608 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -31.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L110 | G107-L110 PolarHBondContact O-N 3.33Š|
| 108 | A | 88.9 | Confident | 84.3 | Confident | 75 Ų | 75 | 110.9 Ų | 110.9 | 62% | 0.62 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.8 | -47.2 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | T106 L110 T111 | T106-A108 PolarHBondContact O-N 3.08Å; T106-A108 VanDerWaalsContact O-N 3.08Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 3.25Å; A108-T111 WeakPolarHBondContact O-CB 3.34Å; A108-T111 WeakPolarHBondContact O-CG2 3.47Å; A108-T111 PolarHBondContact O-N 3.33Å; A108-T111 VanDerWaalsContact O-N 3.13Å; A108-T111 PolarHBondContact O-OG1 3.27Å |
| 109 | S | 87.6 | Confident | 85.3 | Confident | 49 Ų | 49 | 114 Ų | 114 | 34% | 0.343 | 69% | 0.687 | S | S | . | * | G | 310 helix | trans | -64.1 | -29 | 176 | 68.8 | 0 | 0 | 0 | 0 | 113.3 | L105 T106 T111 G112 | L105-S109 WeakPolarHBondContact CB-OG 3.4Å; T106-S109 PolarHBondContact N-OG 3.16Å; T106-S109 WeakPolarHBondContact O-CA 3.49Å; T106-S109 PolarHBondContact O-N 2.9Å; T106-S109 PolarHBondContact O-OG 3.41Å; T106-S109 PolarHBondContact OG1-N 3.21Å; S109-T111 PolarHBondContact O-N 3.01Å; S109-G112 PolarHBondContact O-N 2.74Å |
| 110 | L | 90.8 | Very high | 86 | Confident | 89 Ų | 89 | 115.5 Ų | 115.5 | 47% | 0.466 | 68% | 0.681 | S | S | . | * | G | 310 helix | trans | -68.7 | -17.2 | 175 | -68 | 177.2 | 0 | 0 | 0 | 113.9 | L105 T106 G107 A108 G112 F113 | L105-L110 HydrophobicContact CB-CD2 3.97Å; L105-L110 HydrophobicContact CB-CG 4.27Å; L105-L110 HydrophobicContact CD1-CD2 4.07Å; T106-L110 PolarHBondContact O-N 3.07Å; G107-L110 PolarHBondContact O-N 3.33Å; A108-L110 VanDerWaalsContact C-N 3.25Å; A108-L110 PolarHBondContact O-N 3.25Å; L110-G112 PolarHBondContact O-N 3.48Å; L110-F113 HydrophobicContact CD2-CD2 4.3Å; L110-F113 PolarHBondContact O-N 3.18Å; L110-F113 VanDerWaalsContact O-N 3.14Å |
| 111 | T | 87.3 | Confident | 86.7 | Confident | 80 Ų | 80 | 110.3 Ų | 110.3 | 49% | 0.491 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -62.7 | -29.6 | 177.7 | 63 | 0 | 0 | 0 | 0 | 113.2 | A108 S109 F113 R114 | A108-T111 WeakPolarHBondContact O-CB 3.34Å; A108-T111 WeakPolarHBondContact O-CG2 3.47Å; A108-T111 PolarHBondContact O-N 3.33Å; A108-T111 VanDerWaalsContact O-N 3.13Å; A108-T111 PolarHBondContact O-OG1 3.27Å; S109-T111 PolarHBondContact O-N 3.01Å; T111-F113 PolarHBondContact O-N 3.27Å; T111-R114 WeakPolarHBondContact O-CB 3.48Å; T111-R114 WeakPolarHBondContact O-CG 3.4Å; T111-R114 PolarHBondContact O-N 3.25Å |
| 112 | G | 86.3 | Confident | 86.7 | Confident | 70 Ų | 70 | 112.6 Ų | 112.6 | 72% | 0.722 | 66% | 0.658 | S | S | * | * | G | 310 helix | trans | -70.1 | -12.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | S109 L110 | S109-G112 PolarHBondContact O-N 2.74Å; L110-G112 PolarHBondContact O-N 3.48Å |
| 113 | F | 89.3 | Confident | 86.5 | Confident | 145 Ų | 145 | 111.3 Ų | 111.3 | 64% | 0.636 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -91.8 | 2.9 | 176.6 | -63.7 | -96.2 | 0 | 0 | 0 | 112.9 | L105 L110 T111 L115 | L105-F113 HydrophobicContact CD1-CE2 4Å; L105-F113 HydrophobicContact CD1-CZ 4.08Å; L110-F113 HydrophobicContact CD2-CD2 4.3Å; L110-F113 PolarHBondContact O-N 3.18Å; L110-F113 VanDerWaalsContact O-N 3.14Å; T111-F113 PolarHBondContact O-N 3.27Å; F113-L115 PolarHBondContact O-N 3.28Å |
| 114 | R | 88.9 | Confident | 86.2 | Confident | 191 Ų | 191 | 111.7 Ų | 111.7 | 72% | 0.721 | 64% | 0.64 | S | S | * | * | trans | -70.8 | 114 | 176 | -69.5 | 174.6 | 175.6 | -92.4 | -0.4 | 109.7 | T111 | T111-R114 WeakPolarHBondContact O-CB 3.48Å; T111-R114 WeakPolarHBondContact O-CG 3.4Å; T111-R114 PolarHBondContact O-N 3.25Å | ||
| 115 | L | 85.7 | Confident | 85.8 | Confident | 170 Ų | 170 | 112.7 Ų | 112.7 | 89% | 0.89 | 63% | 0.628 | S | S | * | * | P | Polyproline II helix | trans | -71 | 131.3 | 176.6 | -59.5 | 179.2 | 0 | 0 | 0 | 110.7 | F113 | F113-L115 PolarHBondContact O-N 3.28Š|
| 116 | H | 84.4 | Confident | 85 | Confident | 185 Ų | 185 | 112.3 Ų | 112.3 | 86% | 0.856 | 63% | 0.626 | S | S | * | * | P | Polyproline II helix | trans | -77.3 | 143.8 | 166.8 | -65.3 | -75.7 | 0 | 0 | 0 | 110.4 | ||
| 117 | T | 87.1 | Confident | 83.8 | Confident | 150 Ų | 150 | 113.8 Ų | 113.8 | 92% | 0.92 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -68 | 130.9 | 173.9 | 50 | 0 | 0 | 0 | 0 | 110.8 | ||
| 118 | G | 88.3 | Confident | 82.6 | Confident | 64 Ų | 64 | 118 Ų | 118 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | S | Bend | trans | 162.3 | 176.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 119 | P | 86.6 | Confident | 81.5 | Confident | 131 Ų | 131 | 118.6 Ų | 118.6 | 85% | 0.851 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 133.6 | 172 | 28.7 | -33.5 | 0 | 0 | 0 | 110.4 | ||
| 120 | L | 83.6 | Confident | 80.2 | Confident | 89 Ų | 89 | 121.6 Ų | 121.6 | 47% | 0.466 | 63% | 0.632 | S | S | . | * | P | Polyproline II helix | trans | -60.3 | 131.7 | 175.4 | -174.3 | 71.9 | 0 | 0 | 0 | 110.1 | ||
| 121 | P | 85.9 | Confident | 78.7 | Confident | 72 Ų | 72 | 121 Ų | 121 | 47% | 0.468 | 63% | 0.634 | S | S | . | * | P | Polyproline II helix | trans | -54.4 | 144.5 | 179.3 | -25.7 | 33.2 | 0 | 0 | 0 | 112.3 | Q123 Y124 R125 | P121-Q123 PolarHBondContact O-N 2.9Å; P121-Q123 VanDerWaalsContact O-N 3.09Å; P121-Y124 HydrophobicContact CB-CD2 3.88Å; P121-Y124 HydrophobicContact CB-CE2 4.18Å; P121-Y124 HydrophobicContact CG-CD2 4.1Å; P121-Y124 HydrophobicContact CG-CE2 4.31Å; P121-Y124 PolarHBondContact O-N 3.19Å; P121-R125 PolarHBondContact O-N 3.32Å |
| 122 | E | 80.1 | Confident | 77.3 | Confident | 138 Ų | 138 | 122.8 Ų | 122.8 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -51.9 | -41.7 | -168.7 | 173.1 | 154.3 | -126.8 | 0 | 0 | 113.8 | Y124 R125 | E122-Y124 PolarHBondContact O-N 3.32Å; E122-R125 VanDerWaalsContact CD-NH2 3.32Å; E122-R125 WeakPolarHBondContact O-CB 3.47Å; E122-R125 PolarHBondContact O-N 3.15Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-R125 IonicContact OE1-CZ 3.82Å; E122-R125 IonicContact OE1-NH2 2.66Å; E122-R125 PolarHBondContact OE1-NH2 3.5Å |
| 123 | Q | 78.5 | Confident | 76 | Confident | 152 Ų | 152 | 127.8 Ų | 127.8 | 71% | 0.71 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -52.4 | -39.7 | 178.9 | -61.8 | 167.6 | -37.7 | 0 | 0 | 112.8 | P121 | P121-Q123 PolarHBondContact O-N 2.9Å; P121-Q123 VanDerWaalsContact O-N 3.09Å |
| 124 | Y | 77.9 | Confident | 74.6 | Confident | 120 Ų | 120 | 130.7 Ų | 130.7 | 47% | 0.471 | 66% | 0.661 | S | S | . | * | H | α-helix | trans | -91.6 | -10.5 | -175.4 | -51.5 | -63.8 | 0 | 0 | 0 | 113.4 | P121 E122 L126 M127 | P121-Y124 HydrophobicContact CB-CD2 3.88Å; P121-Y124 HydrophobicContact CB-CE2 4.18Å; P121-Y124 HydrophobicContact CG-CD2 4.1Å; P121-Y124 HydrophobicContact CG-CE2 4.31Å; P121-Y124 PolarHBondContact O-N 3.19Å; E122-Y124 PolarHBondContact O-N 3.32Å; Y124-L126 PolarHBondContact O-N 2.99Å; Y124-M127 HydrophobicContact CD1-SD 4.35Å; Y124-M127 PolarHBondContact O-N 3.48Å |
| 125 | R | 77.2 | Confident | 72.9 | Confident | 136 Ų | 136 | 130.9 Ų | 130.9 | 51% | 0.513 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -60.5 | -34.6 | 178.5 | -62.5 | -166.4 | -63.9 | -167.2 | -1.3 | 112.3 | P121 E122 | P121-R125 PolarHBondContact O-N 3.32Å; E122-R125 VanDerWaalsContact CD-NH2 3.32Å; E122-R125 WeakPolarHBondContact O-CB 3.47Å; E122-R125 PolarHBondContact O-N 3.15Å; E122-R125 VanDerWaalsContact O-N 3.14Å; E122-R125 IonicContact OE1-CZ 3.82Å; E122-R125 IonicContact OE1-NH2 2.66Å; E122-R125 PolarHBondContact OE1-NH2 3.5Å |
| 126 | L | 70 | Confident | 71.3 | Confident | 101 Ų | 101 | 127.7 Ų | 127.7 | 53% | 0.529 | 66% | 0.659 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.9 | -25 | -173.5 | -58 | -178.9 | 0 | 0 | 0 | 113.7 | Y124 H128 I129 | Y124-L126 PolarHBondContact O-N 2.99Å; L126-H128 VanDerWaalsContact C-N 3.26Å; L126-H128 PolarHBondContact O-N 2.71Å; L126-I129 HydrophobicContact CD2-CD1 3.62Å; L126-I129 PolarHBondContact O-N 3.02Å; L126-I129 VanDerWaalsContact O-N 3.09Å |
| 127 | M | 65.1 | Low | 69.8 | Low | 123 Ų | 123 | 128 Ų | 128 | 61% | 0.606 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -32.8 | -174.8 | -63.3 | -164.9 | 78.2 | 0 | 0 | 113.3 | G75 Y124 | G75-M127 WeakPolarHBondContact CA-O 3.45Å; Y124-M127 HydrophobicContact CD1-SD 4.35Å; Y124-M127 PolarHBondContact O-N 3.48Å |
| 128 | H | 64.5 | Low | 68.2 | Low | 148 Ų | 148 | 129.1 Ų | 129.1 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | -6.3 | -179.8 | -60.3 | 99.6 | 0 | 0 | 0 | 113.9 | L126 Q130 | L126-H128 VanDerWaalsContact C-N 3.26Å; L126-H128 PolarHBondContact O-N 2.71Å; H128-Q130 PolarHBondContact O-N 3.49Å; H128-Q130 VanDerWaalsContact O-N 3.09Å |
| 129 | I | 66.9 | Low | 66.3 | Low | 88 Ų | 88 | 135.7 Ų | 135.7 | 45% | 0.451 | 66% | 0.662 | S | S | . | * | trans | -75.2 | 107.2 | -176.7 | -59.9 | -176.4 | 0 | 0 | 0 | 108.9 | L126 | L126-I129 HydrophobicContact CD2-CD1 3.62Å; L126-I129 PolarHBondContact O-N 3.02Å; L126-I129 VanDerWaalsContact O-N 3.09Å | ||
| 130 | Q | 59.4 | Low | 64.5 | Low | 112 Ų | 112 | 138.2 Ų | 138.2 | 52% | 0.523 | 66% | 0.663 | S | S | . | * | trans | -56.2 | 132.5 | 169.5 | -68.3 | -174.1 | 7.5 | 0 | 0 | 109.4 | P74 H128 | P74-Q130 HydrophobicContact CB-CG 4.29Å; H128-Q130 PolarHBondContact O-N 3.49Å; H128-Q130 VanDerWaalsContact O-N 3.09Å | ||
| 131 | P | 59.4 | Low | 62.5 | Low | 76 Ų | 76 | 143.5 Ų | 143.5 | 49% | 0.494 | 68% | 0.682 | S | S | . | * | trans | -51.6 | 129.3 | 172.9 | -26.8 | 34.4 | 0 | 0 | 0 | 110 | K133 | P131-K133 PolarHBondContact O-N 3.31Š| ||
| 132 | P | 57.9 | Low | 60.6 | Low | 118 Ų | 118 | 149 Ų | 149 | 77% | 0.766 | 70% | 0.701 | S | S | * | * | trans | -60 | 112.9 | -173 | 21.6 | -32.6 | 0 | 0 | 0 | 109.6 | K134 | P132-K134 PolarHBondContact O-N 3.23Š| ||
| 133 | K | 59.3 | Low | 58.9 | Low | 174 Ų | 174 | 151.1 Ų | 151.1 | 76% | 0.757 | 71% | 0.71 | S | S | * | * | trans | -53.7 | 107.6 | -179.7 | -68.8 | -174.3 | -179.2 | -178.7 | 0 | 108.3 | P131 K135 | P131-K133 PolarHBondContact O-N 3.31Å; K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 3.21Å | ||
| 134 | K | 59.1 | Low | 57.2 | Low | 206 Ų | 206 | 154.8 Ų | 154.8 | 90% | 0.896 | 72% | 0.718 | S | S | * | * | trans | -63.6 | 92.5 | 178.2 | -72.7 | -178.3 | 179.8 | 175.1 | 0 | 108 | P132 S136 | P132-K134 PolarHBondContact O-N 3.23Å; K134-S136 PolarHBondContact O-N 3.45Å | ||
| 135 | K | 55 | Low | 55.6 | Low | 196 Ų | 196 | 154.8 Ų | 154.8 | 85% | 0.852 | 73% | 0.732 | S | S | * | * | trans | -55.2 | 105.1 | 172.3 | -67.5 | -174.7 | 179.2 | -177.7 | 0 | 107 | K133 K137 | K133-K135 VanDerWaalsContact C-N 3.29Å; K133-K135 PolarHBondContact O-N 3.21Å; K135-K137 PolarHBondContact O-N 3.3Å | ||
| 136 | S | 51.3 | Low | 53.8 | Low | 102 Ų | 102 | 157.2 Ų | 157.2 | 71% | 0.713 | 75% | 0.75 | S | S | * | * | trans | -61.7 | 104.4 | 179.8 | -173.9 | 0 | 0 | 0 | 0 | 107.3 | K134 H138 | K134-S136 PolarHBondContact O-N 3.45Å; S136-H138 PolarHBondContact O-N 2.97Å | ||
| 137 | K | 53.6 | Low | 52.3 | Low | 192 Ų | 192 | 160 Ų | 160 | 84% | 0.835 | 77% | 0.765 | S | S | * | * | trans | -61.8 | 107.5 | 171.7 | -72.7 | -175.3 | 176.8 | -177.2 | 0 | 106 | K135 K139 | K135-K137 PolarHBondContact O-N 3.3Å; K137-K139 PolarHBondContact O-N 3.23Å | ||
| 138 | H | 52.4 | Low | 51.4 | Low | 174 Ų | 174 | 159.4 Ų | 159.4 | 81% | 0.806 | 77% | 0.77 | S | S | * | * | trans | -50.8 | 111.1 | 173.4 | -74.9 | -57.6 | 0 | 0 | 0 | 108 | S136 H140 | S136-H138 PolarHBondContact O-N 2.97Å; H138-H140 PolarHBondContact O-N 3.09Å; H138-H140 VanDerWaalsContact O-N 3.1Å | ||
| 139 | K | 48.3 | Very low | 50 | Low | 201 Ų | 201 | 160.7 Ų | 160.7 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -62.5 | 115.2 | 164 | -72.3 | -176.2 | 176.5 | -178.4 | 0 | 105.2 | K137 K141 | K137-K139 PolarHBondContact O-N 3.23Å; K139-K141 PolarHBondContact O-N 3.14Å | ||
| 140 | H | 48.1 | Very low | 48.9 | Very low | 185 Ų | 185 | 161.6 Ų | 161.6 | 86% | 0.856 | 79% | 0.793 | S | S | * | * | trans | -49 | 120.7 | 170.6 | -81.9 | -92.5 | 0 | 0 | 0 | 108.1 | H138 H142 | H138-H140 PolarHBondContact O-N 3.09Å; H138-H140 VanDerWaalsContact O-N 3.1Å; H140-H142 PolarHBondContact O-N 3.09Å | ||
| 141 | K | 43.1 | Very low | 47.7 | Very low | 200 Ų | 200 | 165.1 Ų | 165.1 | 87% | 0.87 | 81% | 0.809 | S | S | * | * | trans | -55.5 | 115.6 | 164.6 | -90.6 | -178 | 170.8 | -178.6 | 0 | 106 | K139 H143 | K139-K141 PolarHBondContact O-N 3.14Å; K141-H143 PolarHBondContact O-N 2.66Å; K141-H143 VanDerWaalsContact O-N 3.15Å | ||
| 142 | H | 46.3 | Very low | 46.4 | Very low | 187 Ų | 187 | 169 Ų | 169 | 87% | 0.866 | 82% | 0.821 | S | S | * | * | trans | -64.1 | 115.5 | 166.4 | -125.2 | -80.8 | 0 | 0 | 0 | 106.3 | H140 R144 | H140-H142 PolarHBondContact O-N 3.09Å; H142-R144 PolarHBondContact O-N 2.88Å; H142-R144 VanDerWaalsContact O-N 3.17Å | ||
| 143 | H | 44.2 | Very low | 45.3 | Very low | 182 Ų | 182 | 169.5 Ų | 169.5 | 84% | 0.843 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 121.7 | 163.3 | -90.9 | -90.6 | 0 | 0 | 0 | 107.4 | K141 | K141-H143 PolarHBondContact O-N 2.66Å; K141-H143 VanDerWaalsContact O-N 3.15Å |
| 144 | R | 42.4 | Very low | 44.5 | Very low | 230 Ų | 230 | 167.2 Ų | 167.2 | 87% | 0.868 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 136 | 161.7 | -170.1 | 171.4 | -177.4 | 167.2 | -0.1 | 106.4 | H142 | H142-R144 PolarHBondContact O-N 2.88Å; H142-R144 VanDerWaalsContact O-N 3.17Å |
| 145 | P | 44.9 | Very low | 43.3 | Very low | 119 Ų | 119 | 163 Ų | 163 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 144.7 | -172.8 | -19.1 | 32.5 | 0 | 0 | 0 | 111.8 | ||
| 146 | Q | 39.2 | Very low | 42.2 | Very low | 188 Ų | 188 | 160.8 Ų | 160.8 | 88% | 0.879 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 138.3 | 160.5 | -131.1 | 177.3 | -12.5 | 0 | 0 | 107.2 | ||
| 147 | D | 37.1 | Very low | 41.5 | Very low | 159 Ų | 159 | 160.8 Ų | 160.8 | 85% | 0.85 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 152.6 | 169.1 | -82.1 | -54.4 | 0 | 0 | 0 | 110.8 | ||
| 148 | P | 48 | Very low | 41 | Very low | 111 Ų | 111 | 159.2 Ų | 159.2 | 72% | 0.721 | 82% | 0.819 | S | S | * | * | trans | -105 | 142.4 | -164.5 | 23.3 | -5.6 | 0 | 0 | 0 | 113.5 | ||||
| 149 | L | 33.8 | Very low | 40.9 | Very low | 175 Ų | 175 | 155.1 Ų | 155.1 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | trans | -133.7 | 151.6 | 152.3 | -77.4 | 179.3 | 0 | 0 | 0 | 110.1 | ||||
| 150 | P | 44.7 | Very low | 40.5 | Very low | 107 Ų | 107 | 154.8 Ų | 154.8 | 70% | 0.695 | 81% | 0.807 | S | S | * | * | trans | -109 | 158.7 | -152.6 | 39.7 | -33.5 | 0 | 0 | 0 | 114.6 | ||||
| 151 | Q | 34.1 | Very low | 40.4 | Very low | 185 Ų | 185 | 155.7 Ų | 155.7 | 86% | 0.864 | 81% | 0.808 | S | S | * | * | trans | 162.9 | 145.6 | 137.4 | -89.4 | 171.8 | -17.9 | 0 | 0 | 107.3 | ||||
| 152 | E | 31.8 | Very low | 40.8 | Very low | 158 Ų | 158 | 156.1 Ų | 156.1 | 74% | 0.738 | 81% | 0.81 | S | S | * | * | cis | -176.4 | 164.2 | -10.4 | -105.4 | -70.4 | 77.7 | 0 | 0 | 105.3 | ||||
| 153 | T | 35.8 | Very low | 40.8 | Very low | 129 Ų | 129 | 157 Ų | 157 | 79% | 0.791 | 81% | 0.811 | S | S | * | * | trans | 86.6 | 145.9 | 167.8 | 73.8 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 154 | P | 41 | Very low | 40.9 | Very low | 126 Ų | 126 | 157.8 Ų | 157.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -131 | 160 | -149.6 | 40.3 | -22.3 | 0 | 0 | 0 | 117 | ||||
| 155 | S | 34.4 | Very low | 40.9 | Very low | 116 Ų | 116 | 157.1 Ų | 157.1 | 81% | 0.811 | 82% | 0.816 | S | S | * | * | trans | -168.7 | 96.1 | 157 | -164.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 156 | D | 32.2 | Very low | 41.2 | Very low | 151 Ų | 151 | 162.8 Ų | 162.8 | 81% | 0.807 | 82% | 0.822 | S | S | * | * | 84.7 | 150.1 | 76.1 | -168.1 | 37.2 | 0 | 0 | 0 | 114 | |||||
| 157 | S | 36.9 | Very low | 41.6 | Very low | 101 Ų | 101 | 160.9 Ų | 160.9 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | 82.6 | 63.5 | 179.5 | -60.1 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 158 | D | 42.5 | Very low | 42.4 | Very low | 159 Ų | 159 | 159.8 Ų | 159.8 | 85% | 0.85 | 81% | 0.812 | S | S | * | * | 34 | 178.3 | 118.9 | -126.3 | 2.3 | 0 | 0 | 0 | 122.7 | |||||
| 159 | P | 51.2 | Low | 42.9 | Very low | 89 Ų | 89 | 158.1 Ų | 158.1 | 58% | 0.578 | 80% | 0.797 | S | S | * | * | -129.5 | 172.5 | -122.5 | 42 | -22.6 | 0 | 0 | 0 | 115.6 | |||||
| 160 | K | 38.6 | Very low | 44.2 | Very low | 193 Ų | 193 | 154.2 Ų | 154.2 | 84% | 0.839 | 78% | 0.782 | S | S | * | * | trans | 168.8 | 116.4 | 134.9 | -94.5 | 150.8 | -175.3 | 162.3 | 0 | 115.4 | ||||
| 161 | K | 46.3 | Very low | 44.9 | Very low | 205 Ų | 205 | 153.9 Ų | 153.9 | 89% | 0.891 | 77% | 0.774 | S | S | * | * | trans | 138.1 | 102.8 | 132.3 | -82.1 | 173.4 | 179.1 | 171.7 | 0 | 114.2 | ||||
| 162 | K | 51.6 | Low | 46.2 | Very low | 208 Ų | 208 | 155.1 Ų | 155.1 | 90% | 0.904 | 77% | 0.771 | S | S | * | * | trans | -57.1 | 137.3 | 161.3 | -67.6 | 175.1 | 175.8 | 174 | 0 | 110.8 | ||||
| 163 | K | 46.5 | Very low | 47.7 | Very low | 205 Ų | 205 | 154.9 Ų | 154.9 | 89% | 0.891 | 77% | 0.768 | S | S | * | * | trans | -158.1 | 110.9 | 136.4 | -115.3 | 168.5 | -174.4 | 177.5 | 0 | 112.9 | ||||
| 164 | K | 45.4 | Very low | 49.3 | Very low | 200 Ų | 200 | 155.6 Ų | 155.6 | 87% | 0.87 | 76% | 0.76 | S | S | * | * | trans | 45.7 | 94.8 | 160.9 | -71.7 | -179.9 | 170.8 | 177 | 0 | 117.8 | R166 | K164-R166 PolarHBondContact O-N 3.28Š| ||
| 165 | K | 43.3 | Very low | 50.7 | Low | 215 Ų | 215 | 157.8 Ų | 157.8 | 94% | 0.935 | 76% | 0.757 | S | S | * | * | trans | -55.3 | 131.1 | 137.6 | -80.3 | -174.9 | 175.8 | 179.7 | 0 | 107.2 | ||||
| 166 | R | 49.8 | Very low | 52.4 | Low | 238 Ų | 238 | 160.5 Ų | 160.5 | 90% | 0.898 | 75% | 0.754 | S | S | * | * | trans | -97.8 | 119.3 | 174.7 | -161.6 | -174.6 | -159.6 | -154.3 | 10.3 | 106.9 | K164 D168 | K164-R166 PolarHBondContact O-N 3.28Å; R166-D168 PolarHBondContact O-N 2.9Å; R166-D168 VanDerWaalsContact O-N 3.15Å | ||
| 167 | D | 48.4 | Very low | 54.4 | Low | 149 Ų | 149 | 160.6 Ų | 160.6 | 80% | 0.797 | 75% | 0.747 | S | S | * | * | trans | -57.1 | 113.9 | 173.5 | -100.3 | -82 | 0 | 0 | 0 | 110.8 | D169 | D167-D169 PolarHBondContact O-N 3.35Š| ||
| 168 | D | 53.3 | Low | 55.9 | Low | 135 Ų | 135 | 160 Ų | 160 | 72% | 0.722 | 74% | 0.736 | S | S | * | * | trans | -89.1 | 63.6 | 165 | -150.9 | -102.3 | 0 | 0 | 0 | 108.3 | R166 P170 | R166-D168 PolarHBondContact O-N 2.9Å; R166-D168 VanDerWaalsContact O-N 3.15Å; D168-P170 WeakPolarHBondContact O-CD 3.33Å | ||
| 169 | D | 59.8 | Low | 57.4 | Low | 76 Ų | 76 | 160.1 Ų | 160.1 | 41% | 0.406 | 73% | 0.729 | S | S | . | * | trans | -57.5 | 117.7 | 176.9 | 175 | -12.6 | 0 | 0 | 0 | 109.8 | D167 D171 R172 | D167-D169 PolarHBondContact O-N 3.35Å; D169-D171 PolarHBondContact O-N 3.08Å; D169-D171 PolarHBondContact OD1-N 3.47Å; D169-R172 PolarHBondContact O-N 2.66Å | ||
| 170 | P | 60.6 | Low | 58.4 | Low | 94 Ų | 94 | 163.3 Ų | 163.3 | 61% | 0.61 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -63.7 | -22.7 | -175 | 25.9 | -34.2 | 0 | 0 | 0 | 113.6 | D168 R172 K173 K174 | D168-P170 WeakPolarHBondContact O-CD 3.33Å; P170-R172 PolarHBondContact O-N 3.13Å; P170-K173 WeakPolarHBondContact O-CB 3.41Å; P170-K173 PolarHBondContact O-N 3.33Å; P170-K173 VanDerWaalsContact O-N 3.15Å; P170-K174 PolarHBondContact O-N 3.27Å |
| 171 | D | 60.1 | Low | 59.9 | Low | 100 Ų | 100 | 160.5 Ų | 160.5 | 54% | 0.535 | 72% | 0.721 | S | S | . | * | H | α-helix | trans | -71.8 | -30.9 | -178 | -92.3 | -54.6 | 0 | 0 | 0 | 113 | D169 K173 K174 K175 | D169-D171 PolarHBondContact O-N 3.08Å; D169-D171 PolarHBondContact OD1-N 3.47Å; D171-K173 PolarHBondContact O-N 3.03Å; D171-K174 PolarHBondContact O-N 3.29Å; D171-K175 WeakPolarHBondContact O-CB 3.39Å; D171-K175 PolarHBondContact O-N 3.25Å |
| 172 | R | 60.5 | Low | 61 | Low | 211 Ų | 211 | 157.9 Ų | 157.9 | 80% | 0.796 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -60.3 | -33.6 | 170.4 | -83.2 | -174.7 | 167.7 | -168.2 | -3 | 112 | D169 P170 K176 | D169-R172 PolarHBondContact O-N 2.66Å; P170-R172 PolarHBondContact O-N 3.13Å; R172-K176 PolarHBondContact O-N 3.23Å |
| 173 | K | 63.8 | Low | 61.7 | Low | 152 Ų | 152 | 156 Ų | 156 | 66% | 0.661 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -73.9 | -40 | 179.2 | -157.2 | 169.5 | -172.5 | 167.4 | 0 | 111.5 | P170 D171 K176 K177 | P170-K173 WeakPolarHBondContact O-CB 3.41Å; P170-K173 PolarHBondContact O-N 3.33Å; P170-K173 VanDerWaalsContact O-N 3.15Å; D171-K173 PolarHBondContact O-N 3.03Å; K173-K176 PolarHBondContact O-N 3.29Å; K173-K177 PolarHBondContact O-N 3.47Å |
| 174 | K | 69.8 | Low | 62.5 | Low | 144 Ų | 144 | 152.7 Ų | 152.7 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -62.8 | -49.4 | 175.3 | -160.9 | 175.6 | -178.2 | -177 | 0 | 111.2 | P170 D171 K176 K177 D178 | P170-K174 PolarHBondContact O-N 3.27Å; D171-K174 PolarHBondContact O-N 3.29Å; K174-K176 VanDerWaalsContact C-N 3.29Å; K174-K176 PolarHBondContact O-N 3.14Å; K174-K177 WeakPolarHBondContact O-CB 3.44Å; K174-K177 PolarHBondContact O-N 2.93Å; K174-D178 PolarHBondContact O-N 2.87Å; K174-D178 VanDerWaalsContact O-N 3.16Å |
| 175 | K | 69.4 | Low | 63.2 | Low | 173 Ų | 173 | 153.2 Ų | 153.2 | 75% | 0.752 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -60.2 | -33.6 | 179.6 | -148.9 | 166.6 | -169.6 | 169.5 | 0 | 113.2 | D171 K179 | D171-K175 WeakPolarHBondContact O-CB 3.39Å; D171-K175 PolarHBondContact O-N 3.25Å; K175-K179 PolarHBondContact O-N 2.91Å |
| 176 | K | 71.4 | Confident | 63.9 | Low | 173 Ų | 173 | 151.3 Ų | 151.3 | 75% | 0.752 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -72 | -35.8 | 174.9 | -167.7 | 173 | -177 | 176.8 | 0 | 113.1 | R172 K173 K174 K180 | R172-K176 PolarHBondContact O-N 3.23Å; K173-K176 PolarHBondContact O-N 3.29Å; K174-K176 VanDerWaalsContact C-N 3.29Å; K174-K176 PolarHBondContact O-N 3.14Å; K176-K180 PolarHBondContact O-N 3.09Å |
| 177 | K | 73.1 | Confident | 63.9 | Low | 153 Ų | 153 | 145.4 Ų | 145.4 | 67% | 0.665 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -67.3 | -41.1 | 177.2 | -168.3 | 176.6 | -177.9 | -179.8 | 0 | 111.5 | K173 K174 K180 K181 | K173-K177 PolarHBondContact O-N 3.47Å; K174-K177 WeakPolarHBondContact O-CB 3.44Å; K174-K177 PolarHBondContact O-N 2.93Å; K177-K180 PolarHBondContact O-N 2.77Å; K177-K181 PolarHBondContact O-N 3.06Å; K177-K181 VanDerWaalsContact O-N 3.15Å |
| 178 | D | 68.9 | Low | 64.4 | Low | 89 Ų | 89 | 143.1 Ų | 143.1 | 48% | 0.476 | 67% | 0.673 | S | S | . | * | H | α-helix | trans | -66.4 | -44.1 | 178.9 | -115.7 | -77.7 | 0 | 0 | 0 | 113.1 | K174 K180 K181 K182 | K174-D178 PolarHBondContact O-N 2.87Å; K174-D178 VanDerWaalsContact O-N 3.16Å; D178-K180 PolarHBondContact O-N 3.1Å; D178-K181 PolarHBondContact O-N 3.04Å; D178-K182 PolarHBondContact O-N 3.15Å |
| 179 | K | 72.6 | Confident | 63.9 | Low | 161 Ų | 161 | 143.5 Ų | 143.5 | 70% | 0.7 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -61.6 | -28.9 | 176.8 | -162.4 | 167.6 | -174.9 | 173.7 | 0 | 112.6 | K175 | K175-K179 PolarHBondContact O-N 2.91Å |
| 180 | K | 72.7 | Confident | 63.3 | Low | 155 Ų | 155 | 147.6 Ų | 147.6 | 67% | 0.674 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.9 | -40.4 | 172.3 | -166.8 | 174.3 | -178.4 | -179.8 | 0 | 112.2 | K176 K177 D178 K183 N184 | K176-K180 PolarHBondContact O-N 3.09Å; K177-K180 PolarHBondContact O-N 2.77Å; D178-K180 PolarHBondContact O-N 3.1Å; K180-K183 PolarHBondContact O-N 2.94Å; K180-N184 PolarHBondContact O-N 2.9Å |
| 181 | K | 71.1 | Confident | 62.7 | Low | 134 Ų | 134 | 148.4 Ų | 148.4 | 58% | 0.583 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -62.5 | -40.3 | 175.3 | -82.6 | -169.5 | 169.5 | -169.6 | 0 | 113 | K177 D178 N184 | K177-K181 PolarHBondContact O-N 3.06Å; K177-K181 VanDerWaalsContact O-N 3.15Å; D178-K181 PolarHBondContact O-N 3.04Å; K181-N184 PolarHBondContact O-N 3.17Å |
| 182 | K | 69.3 | Low | 61.3 | Low | 151 Ų | 151 | 147 Ų | 147 | 66% | 0.657 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -63.8 | -38.3 | 177.4 | -74 | -168.7 | 173.7 | -170.2 | 0 | 112.9 | D178 N184 R185 | D178-K182 PolarHBondContact O-N 3.15Å; K182-N184 VanDerWaalsContact C-N 3.32Å; K182-N184 PolarHBondContact O-N 3.24Å; K182-R185 PolarHBondContact O-N 3.15Å |
| 183 | K | 66.9 | Low | 60.5 | Low | 168 Ų | 168 | 145.7 Ų | 145.7 | 73% | 0.73 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -63.6 | -33.9 | 175.6 | -75.1 | -162.4 | 170.7 | -156.6 | 0 | 113.6 | K180 R185 | K180-K183 PolarHBondContact O-N 2.94Å; K183-R185 VanDerWaalsContact C-N 3.25Å; K183-R185 PolarHBondContact O-N 3.43Å |
| 184 | N | 61.9 | Low | 59.4 | Low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 0.4 | 178.5 | -92.9 | 68 | 0 | 0 | 0 | 114.7 | K180 K181 K182 | K180-N184 PolarHBondContact O-N 2.9Å; K181-N184 PolarHBondContact O-N 3.17Å; K182-N184 VanDerWaalsContact C-N 3.32Å; K182-N184 PolarHBondContact O-N 3.24Å |
| 185 | R | 61.3 | Low | 57.8 | Low | 211 Ų | 211 | 139.9 Ų | 139.9 | 80% | 0.796 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -108 | 0 | -178.4 | -77.9 | -171.8 | 171.8 | -170.6 | -4.6 | 115.1 | K182 K183 | K182-R185 PolarHBondContact O-N 3.15Å; K183-R185 VanDerWaalsContact C-N 3.25Å; K183-R185 PolarHBondContact O-N 3.43Å |
| 186 | H | 58.3 | Low | 56.5 | Low | 174 Ų | 174 | 137.3 Ų | 137.3 | 81% | 0.806 | 73% | 0.731 | S | S | * | * | trans | -129.5 | 47.4 | -177.1 | -73.6 | -41 | 0 | 0 | 0 | 112.7 | ||||
| 187 | S | 48.3 | Very low | 55 | Low | 115 Ų | 115 | 137.5 Ų | 137.5 | 80% | 0.804 | 74% | 0.735 | S | S | * | * | trans | -118 | 104.7 | 158.8 | -150.9 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 188 | P | 58.7 | Low | 53.9 | Low | 101 Ų | 101 | 135.4 Ų | 135.4 | 66% | 0.656 | 74% | 0.737 | S | S | * | * | trans | -83.7 | 147 | 176.6 | 33.5 | -32.2 | 0 | 0 | 0 | 111.1 | ||||
| 189 | D | 43.7 | Very low | 52.6 | Low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 76% | 0.755 | S | S | * | * | trans | 62.8 | 146.6 | 145.3 | -61.5 | -28.3 | 0 | 0 | 0 | 121.1 | ||||
| 190 | H | 47.3 | Very low | 51.3 | Low | 163 Ų | 163 | 134.6 Ų | 134.6 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -150.5 | -126.1 | -25.3 | -148.5 | -48.4 | 0 | 0 | 0 | 110.5 | ||||
| 191 | P | 48.2 | Very low | 50.1 | Low | 111 Ų | 111 | 135.3 Ų | 135.3 | 72% | 0.721 | 77% | 0.77 | S | S | * | * | -112.4 | 170.7 | -127.3 | 23.6 | -0.4 | 0 | 0 | 0 | 117.3 | |||||
| 192 | G | 29.9 | Very low | 49 | Very low | 69 Ų | 69 | 133.4 Ų | 133.4 | 71% | 0.711 | 77% | 0.773 | S | S | * | * | trans | 103.3 | 119.7 | 134.6 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 193 | L | 44.4 | Very low | 47.9 | Very low | 185 Ų | 185 | 133.8 Ų | 133.8 | 97% | 0.969 | 78% | 0.782 | S | S | * | * | -176.3 | 148.3 | 102.8 | -95.2 | 161.7 | 0 | 0 | 0 | 110.7 | |||||
| 194 | A | 40.4 | Very low | 46.8 | Very low | 97 Ų | 97 | 141.2 Ų | 141.2 | 80% | 0.802 | 81% | 0.805 | S | S | * | * | trans | -117.5 | 159.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 195 | G | 36.2 | Very low | 46 | Very low | 77 Ų | 77 | 141.5 Ų | 141.5 | 79% | 0.794 | 81% | 0.809 | S | S | * | * | trans | 89.1 | 153.9 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 196 | S | 40.9 | Very low | 45.2 | Very low | 118 Ų | 118 | 137.8 Ų | 137.8 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | cis | -157.7 | 156.3 | 5.8 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 197 | Q | 40.8 | Very low | 44.5 | Very low | 178 Ų | 178 | 135.8 Ų | 135.8 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | trans | 23.6 | 150.9 | 154.9 | -74.1 | -78.3 | -78.6 | 0 | 0 | 123.7 | ||||
| 198 | P | 50.2 | Low | 44.3 | Very low | 109 Ų | 109 | 137 Ų | 137 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | trans | -82.8 | 147.4 | 172.6 | 36 | -33.5 | 0 | 0 | 0 | 112.4 | ||||
| 199 | S | 41.4 | Very low | 43.4 | Very low | 121 Ų | 121 | 139.3 Ų | 139.3 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | -101.8 | 107.8 | 170.9 | 45.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 200 | S | 44.6 | Very low | 43.4 | Very low | 111 Ų | 111 | 139.1 Ų | 139.1 | 78% | 0.776 | 82% | 0.824 | S | S | * | * | trans | -67.5 | 147.6 | 150.2 | 48.4 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 201 | N | 48.3 | Very low | 43.1 | Very low | 170 Ų | 170 | 137.4 Ų | 137.4 | 91% | 0.909 | 83% | 0.829 | S | S | * | * | trans | -148.3 | 138 | 151.6 | -127.6 | -2.6 | 0 | 0 | 0 | 111.6 | ||||
| 202 | S | 47.7 | Very low | 42.7 | Very low | 94 Ų | 94 | 139.4 Ų | 139.4 | 66% | 0.657 | 84% | 0.837 | S | S | * | * | trans | -117.7 | 165.6 | 178.2 | -172.9 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 203 | L | 46.6 | Very low | 43.7 | Very low | 159 Ų | 159 | 145.3 Ų | 145.3 | 83% | 0.832 | 85% | 0.848 | S | S | * | * | trans | 61.7 | 102.7 | 166.8 | -64.4 | 143.5 | 0 | 0 | 0 | 116.9 | ||||
| 204 | R | 43.3 | Very low | 43.7 | Very low | 324 Ų | 324 | 141.6 Ų | 141.6 | 100% | 1.223 | 84% | 0.837 | S | S | * | * | -162.1 | 0 | 101.1 | -102.7 | -179.5 | -175.4 | -163.3 | 1.2 | 111.4 |
Retrieved 204 of 204 residues in 130.1 ms
(Link to these results)