| 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 | 44.3 | Very low | 46 | Very low | 247 Ų | 247 | 160.8 Ų | 160.8 | 100% | 1.217 | 90% | 0.895 | S | S | * | * | 0 | 95.3 | 0 | -73.3 | -78.7 | -120.1 | 0 | 0 | 108.7 | |||||
| 2 | A | 48.1 | Very low | 45.9 | Very low | 106 Ų | 106 | 162 Ų | 162 | 88% | 0.876 | 90% | 0.896 | S | S | * | * | trans | -133.4 | 109.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | K | 58.1 | Low | 45.8 | Very low | 202 Ų | 202 | 163.8 Ų | 163.8 | 88% | 0.878 | 89% | 0.894 | S | S | * | * | trans | -111.6 | 116 | 174.1 | -71.4 | -177.6 | 178 | 178.3 | 0 | 108.2 | ||||
| 4 | K | 58.8 | Low | 45.7 | Very low | 196 Ų | 196 | 167.1 Ų | 167.1 | 85% | 0.852 | 90% | 0.895 | S | S | * | * | trans | -159.9 | 141.9 | 164.9 | -75.5 | -170 | 177.9 | -179.8 | 0 | 107.5 | ||||
| 5 | Q | 50.5 | Low | 45.4 | Very low | 181 Ų | 181 | 169.1 Ų | 169.1 | 85% | 0.846 | 89% | 0.893 | S | S | * | * | cis | -165.3 | 132.5 | -23.8 | -123 | 174.8 | -17.5 | 0 | 0 | 102.4 | G7 | Q5-G7 PolarHBondContact O-N 3.06Š| ||
| 6 | R | 38.3 | Very low | 45.1 | Very low | 249 Ų | 249 | 164.9 Ų | 164.9 | 94% | 0.94 | 89% | 0.889 | S | S | * | * | trans | -81.9 | 113.6 | -174.7 | -171 | 178 | 177.5 | -155.7 | 1.4 | 108.9 | ||||
| 7 | G | 47.8 | Very low | 44.8 | Very low | 78 Ų | 78 | 165.9 Ų | 165.9 | 80% | 0.804 | 89% | 0.887 | S | S | * | * | trans | -73.9 | 125.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q5 | Q5-G7 PolarHBondContact O-N 3.06Š| ||
| 8 | K | 42.9 | Very low | 44.7 | Very low | 207 Ų | 207 | 165.8 Ų | 165.8 | 90% | 0.9 | 89% | 0.887 | S | S | * | * | trans | -92.2 | 138.6 | 170.3 | -80.7 | 178.9 | 173.1 | -179 | 0 | 109.9 | ||||
| 9 | G | 36.5 | Very low | 44.7 | Very low | 82 Ų | 82 | 164.5 Ų | 164.5 | 85% | 0.845 | 88% | 0.875 | S | S | * | * | trans | 41.8 | 120 | 140.5 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 10 | A | 38.7 | Very low | 44.9 | Very low | 107 Ų | 107 | 165.2 Ų | 165.2 | 88% | 0.884 | 87% | 0.87 | S | S | * | * | trans | -132.2 | 101 | 143.1 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 11 | S | 42.3 | Very low | 44.7 | Very low | 114 Ų | 114 | 161 Ų | 161 | 80% | 0.797 | 87% | 0.867 | S | S | * | * | trans | -80.6 | 127.6 | 159.3 | 54.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 12 | L | 44.6 | Very low | 45 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 92% | 0.916 | 85% | 0.854 | S | S | * | * | trans | -148.4 | 118 | 155.8 | -103.7 | 164.6 | 0 | 0 | 0 | 108.8 | ||||
| 13 | Q | 44.8 | Very low | 45 | Very low | 185 Ų | 185 | 154.3 Ų | 154.3 | 86% | 0.864 | 84% | 0.839 | S | S | * | * | trans | -69.6 | 144.6 | 176 | -61 | 167.3 | -49.7 | 0 | 0 | 109.8 | ||||
| 14 | K | 43.3 | Very low | 44.7 | Very low | 210 Ų | 210 | 151.1 Ų | 151.1 | 91% | 0.913 | 83% | 0.832 | S | S | * | * | trans | -149.9 | 119.7 | 141.8 | -146.5 | 169.9 | -176.1 | 176.4 | 0 | 110.3 | ||||
| 15 | K | 42.1 | Very low | 44.2 | Very low | 198 Ų | 198 | 151 Ų | 151 | 86% | 0.861 | 83% | 0.832 | S | S | * | * | trans | -71.1 | 145.8 | 172.2 | -69.9 | -161.8 | 171.3 | -169.1 | 0 | 110.4 | ||||
| 16 | A | 39.9 | Very low | 44.3 | Very low | 101 Ų | 101 | 148.7 Ų | 148.7 | 84% | 0.835 | 83% | 0.825 | S | S | * | * | trans | -141.9 | 126.8 | 144.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 17 | E | 40.7 | Very low | 45.1 | Very low | 182 Ų | 182 | 142.4 Ų | 142.4 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | -62.8 | 143.1 | 177 | -67.8 | 156.8 | 153.5 | 0 | 0 | 110.4 | ||||
| 18 | N | 42 | Very low | 45.4 | Very low | 165 Ų | 165 | 143.2 Ų | 143.2 | 88% | 0.882 | 81% | 0.809 | S | S | * | * | trans | -135.6 | 103.9 | 155 | -139.7 | -17.7 | 0 | 0 | 0 | 107.4 | ||||
| 19 | E | 45.4 | Very low | 45.8 | Very low | 141 Ų | 141 | 139.6 Ų | 139.6 | 66% | 0.659 | 80% | 0.799 | S | S | * | * | trans | -70.9 | 145.3 | 172.6 | -80.8 | -162.3 | 142.6 | 0 | 0 | 110.6 | ||||
| 20 | K | 48.6 | Very low | 46.7 | Very low | 177 Ų | 177 | 143.2 Ų | 143.2 | 77% | 0.77 | 80% | 0.799 | S | S | * | * | trans | 70.8 | 99.3 | 148.4 | -68 | 162.3 | -174.8 | 146.8 | 0 | 117.9 | ||||
| 21 | G | 40.6 | Very low | 47.4 | Very low | 79 Ų | 79 | 143.1 Ų | 143.1 | 81% | 0.814 | 79% | 0.791 | S | S | * | * | trans | -155.7 | 46.4 | 155.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | G23 | G21-G23 PolarHBondContact O-N 2.97Å; G21-G23 VanDerWaalsContact O-N 3.09Å | ||
| 22 | V | 50.9 | Low | 48 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 94% | 0.939 | 79% | 0.786 | S | S | * | * | trans | -79.6 | 81.9 | 164.9 | 177.4 | 0 | 0 | 0 | 0 | 106 | ||||
| 23 | G | 47.8 | Very low | 48.7 | Very low | 56 Ų | 56 | 140.1 Ų | 140.1 | 58% | 0.577 | 78% | 0.775 | S | S | * | * | trans | -101.3 | 105.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | G21 F25 | G21-G23 PolarHBondContact O-N 2.97Å; G21-G23 VanDerWaalsContact O-N 3.09Å; G23-F25 PolarHBondContact O-N 3.06Å | ||
| 24 | D | 51.3 | Low | 49.7 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 72% | 0.722 | 77% | 0.773 | S | S | * | * | trans | 39.8 | 67.2 | 151.3 | -67.5 | -12 | 0 | 0 | 0 | 117.4 | N26 | D24-N26 PolarHBondContact O-N 3.28Š| ||
| 25 | F | 49.3 | Very low | 51 | Low | 194 Ų | 194 | 135.6 Ų | 135.6 | 85% | 0.851 | 76% | 0.762 | S | S | * | * | trans | -74.1 | 71.2 | 137.4 | -69.1 | -82.3 | 0 | 0 | 0 | 107.7 | G23 L27 | G23-F25 PolarHBondContact O-N 3.06Å; F25-L27 PolarHBondContact O-N 2.89Å | ||
| 26 | N | 53.2 | Low | 52.6 | Low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -66.6 | 71.5 | 153 | -83.9 | -63.7 | 0 | 0 | 0 | 106.5 | D24 A28 | D24-N26 PolarHBondContact O-N 3.28Å; N26-A28 PolarHBondContact O-N 3.41Å | ||
| 27 | L | 53.8 | Low | 54.2 | Low | 118 Ų | 118 | 130.5 Ų | 130.5 | 62% | 0.618 | 75% | 0.747 | S | S | * | * | trans | -62.4 | 100.5 | 152.6 | -128.1 | 88.8 | 0 | 0 | 0 | 103.1 | F25 L29 | F25-L27 PolarHBondContact O-N 2.89Å; L27-L29 HydrophobicContact CB-CB 4.32Å; L27-L29 HydrophobicContact CB-CD1 4.44Å; L27-L29 HydrophobicContact CD2-CB 4.26Å; L27-L29 HydrophobicContact CD2-CD1 3.42Å; L27-L29 VanDerWaalsContact CD2-CD1 3.42Å; L27-L29 HydrophobicContact CD2-CG 3.81Å; L27-L29 PolarHBondContact O-N 3.44Å | ||
| 28 | A | 54.1 | Low | 55.7 | Low | 95 Ų | 95 | 130.1 Ų | 130.1 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -59.3 | 78 | 152.4 | 0 | 0 | 0 | 0 | 0 | 106.2 | N26 D30 | N26-A28 PolarHBondContact O-N 3.41Å; A28-D30 PolarHBondContact O-N 3.35Å | ||
| 29 | L | 52.4 | Low | 57.1 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 69% | 0.686 | 74% | 0.744 | S | S | * | * | trans | -84.1 | 30.9 | 170.7 | -139.9 | 157.6 | 0 | 0 | 0 | 108 | L27 | L27-L29 HydrophobicContact CB-CB 4.32Å; L27-L29 HydrophobicContact CB-CD1 4.44Å; L27-L29 HydrophobicContact CD2-CB 4.26Å; L27-L29 HydrophobicContact CD2-CD1 3.42Å; L27-L29 VanDerWaalsContact CD2-CD1 3.42Å; L27-L29 HydrophobicContact CD2-CG 3.81Å; L27-L29 PolarHBondContact O-N 3.44Å | ||
| 30 | D | 54.7 | Low | 58.6 | Low | 158 Ų | 158 | 127.9 Ų | 127.9 | 85% | 0.845 | 73% | 0.734 | S | S | * | * | trans | -111.5 | 70.8 | -176.3 | -157 | 25.7 | 0 | 0 | 0 | 107.9 | A28 | A28-D30 PolarHBondContact O-N 3.35Š| ||
| 31 | S | 54.2 | Low | 60.4 | Low | 104 Ų | 104 | 123 Ų | 123 | 73% | 0.727 | 72% | 0.72 | S | S | * | * | trans | 171.4 | 69.7 | 145.1 | -172 | 0 | 0 | 0 | 0 | 106 | D33 | S31-D33 PolarHBondContact O-N 2.82Š| ||
| 32 | S | 53.3 | Low | 62.5 | Low | 98 Ų | 98 | 127.2 Ų | 127.2 | 69% | 0.685 | 72% | 0.716 | S | S | * | * | trans | -60.7 | 94.9 | 156.8 | 170.3 | 0 | 0 | 0 | 0 | 105.9 | D34 | S32-D34 PolarHBondContact O-N 2.81Š| ||
| 33 | D | 60.9 | Low | 64.5 | Low | 128 Ų | 128 | 125 Ų | 125 | 68% | 0.684 | 70% | 0.695 | S | S | * | * | trans | -63.5 | 82.5 | 166.7 | -166.3 | 30.4 | 0 | 0 | 0 | 106.9 | S31 E35 | S31-D33 PolarHBondContact O-N 2.82Å; D33-E35 PolarHBondContact O-N 2.95Å | ||
| 34 | D | 65.4 | Low | 66.6 | Low | 152 Ų | 152 | 126.7 Ų | 126.7 | 81% | 0.813 | 69% | 0.691 | S | S | * | * | trans | -73.6 | 40.6 | 170.8 | -163.4 | 24.5 | 0 | 0 | 0 | 109.3 | S32 A36 | S32-D34 PolarHBondContact O-N 2.81Å; D34-A36 PolarHBondContact O-N 3.19Å | ||
| 35 | E | 70.5 | Confident | 68.4 | Low | 149 Ų | 149 | 122.8 Ų | 122.8 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | trans | -73.1 | 110.4 | 172.4 | -166.2 | 68.1 | -160.9 | 0 | 0 | 105.8 | D33 | D33-E35 PolarHBondContact O-N 2.95Š| ||
| 36 | A | 75.1 | Confident | 70.6 | Confident | 72 Ų | 72 | 118.3 Ų | 118.3 | 60% | 0.595 | 65% | 0.654 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 142.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | D34 E38 | D34-A36 PolarHBondContact O-N 3.19Å; A36-E38 PolarHBondContact O-N 3.36Å; A36-E38 VanDerWaalsContact O-N 3.08Å |
| 37 | P | 74.5 | Confident | 72.6 | Confident | 120 Ų | 120 | 114 Ų | 114 | 78% | 0.779 | 64% | 0.637 | S | S | * | * | P | Polyproline II helix | trans | -50.6 | 125.1 | 179.9 | -23.5 | 31.3 | 0 | 0 | 0 | 109.7 | E39 | P37-E39 PolarHBondContact O-N 3.47Å; P37-E39 VanDerWaalsContact O-N 3.09Å |
| 38 | E | 71.6 | Confident | 74.4 | Confident | 174 Ų | 174 | 117.1 Ų | 117.1 | 81% | 0.813 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 122.2 | 177.7 | -163.2 | 176.4 | -155 | 0 | 0 | 108.2 | A36 V40 | A36-E38 PolarHBondContact O-N 3.36Å; A36-E38 VanDerWaalsContact O-N 3.08Å; E38-V40 WeakPolarHBondContact O-CG2 3.43Å; E38-V40 PolarHBondContact O-N 3.29Å |
| 39 | E | 72.3 | Confident | 76.3 | Confident | 185 Ų | 185 | 115.1 Ų | 115.1 | 86% | 0.864 | 62% | 0.624 | S | S | * | * | trans | -70 | 80.1 | -178.4 | -67.3 | -177.1 | 177.3 | 0 | 0 | 108.5 | P37 T41 | P37-E39 PolarHBondContact O-N 3.47Å; P37-E39 VanDerWaalsContact O-N 3.09Å; E39-T41 PolarHBondContact O-N 2.95Å; E39-T41 VanDerWaalsContact O-N 3.12Å | ||
| 40 | V | 75.3 | Confident | 78.4 | Confident | 74 Ų | 74 | 112.2 Ų | 112.2 | 45% | 0.448 | 61% | 0.611 | S | S | . | * | trans | -68.9 | 113.4 | 178.2 | -175.6 | 0 | 0 | 0 | 0 | 107.3 | E38 D44 | E38-V40 WeakPolarHBondContact O-CG2 3.43Å; E38-V40 PolarHBondContact O-N 3.29Å; V40-D44 HydrophobicContact CG1-CB 3.78Å | ||
| 41 | T | 86.8 | Confident | 80.4 | Confident | 75 Ų | 75 | 110.4 Ų | 110.4 | 46% | 0.46 | 60% | 0.598 | S | S | . | * | trans | -64.4 | 154 | 177.1 | 72.3 | 0 | 0 | 0 | 0 | 110 | E39 E43 D44 S45 | E39-T41 PolarHBondContact O-N 2.95Å; E39-T41 VanDerWaalsContact O-N 3.12Å; T41-E43 PolarHBondContact O-N 2.88Å; T41-E43 VanDerWaalsContact O-N 3.17Å; T41-D44 PolarHBondContact O-N 3.47Å; T41-D44 VanDerWaalsContact O-N 3.1Å; T41-D44 PolarHBondContact OG1-N 3.47Å; T41-D44 PolarHBondContact OG1-OD2 3.48Å; T41-S45 PolarHBondContact O-N 3.27Å | ||
| 42 | F | 85.2 | Confident | 82.3 | Confident | 167 Ų | 167 | 108.9 Ų | 108.9 | 73% | 0.732 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -55.9 | -34.6 | 177.6 | -178.5 | -100.7 | 0 | 0 | 0 | 112.1 | S45 K46 | F42-S45 PolarHBondContact O-N 2.9Å; F42-S45 PolarHBondContact O-OG 2.84Å; F42-K46 WeakPolarHBondContact O-CB 3.09Å; F42-K46 PolarHBondContact O-N 3.21Å; F42-K46 VanDerWaalsContact O-N 3.12Å |
| 43 | E | 91.9 | Very high | 84.4 | Confident | 109 Ų | 109 | 109.4 Ų | 109.4 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -70.7 | -38.6 | 178.4 | -159.6 | 62.3 | -151.7 | 0 | 0 | 112.1 | T41 S45 K46 A47 | T41-E43 PolarHBondContact O-N 2.88Å; T41-E43 VanDerWaalsContact O-N 3.17Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.31Å; E43-K46 WeakPolarHBondContact O-CB 3.36Å; E43-K46 PolarHBondContact O-N 3.07Å; E43-K46 IonicContact OE1-NZ 2.9Å; E43-K46 PolarHBondContact OE1-NZ 2.91Å; E43-K46 IonicContact OE2-NZ 3.42Å; E43-K46 PolarHBondContact OE2-NZ 2.79Å; E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 2.93Å |
| 44 | D | 92.6 | Very high | 86.1 | Confident | 90 Ų | 90 | 109.4 Ų | 109.4 | 48% | 0.481 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65 | -39.9 | 174.7 | -64.1 | -36.9 | 0 | 0 | 0 | 111.5 | V40 T41 K46 A47 R48 | V40-D44 HydrophobicContact CG1-CB 3.78Å; T41-D44 PolarHBondContact O-N 3.47Å; T41-D44 VanDerWaalsContact O-N 3.1Å; T41-D44 PolarHBondContact OG1-N 3.47Å; T41-D44 PolarHBondContact OG1-OD2 3.48Å; D44-K46 VanDerWaalsContact C-N 3.25Å; D44-K46 PolarHBondContact O-N 3.45Å; D44-A47 PolarHBondContact O-N 2.92Å; D44-R48 VanDerWaalsContact O-CB 3.27Å; D44-R48 WeakPolarHBondContact O-CB 3.48Å; D44-R48 PolarHBondContact O-N 3.31Å |
| 45 | S | 89.8 | Confident | 87.6 | Confident | 53 Ų | 53 | 107.2 Ų | 107.2 | 37% | 0.371 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -60.7 | -39 | 176 | 81.1 | 0 | 0 | 0 | 0 | 111.6 | T41 F42 E43 A49 | T41-S45 PolarHBondContact O-N 3.27Å; F42-S45 PolarHBondContact O-N 2.9Å; F42-S45 PolarHBondContact O-OG 2.84Å; E43-S45 VanDerWaalsContact C-N 3.34Å; E43-S45 PolarHBondContact O-N 3.31Å; S45-A49 WeakPolarHBondContact O-CB 3.38Å; S45-A49 PolarHBondContact O-N 3.42Å |
| 46 | K | 94.7 | Very high | 88.8 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 44% | 0.439 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -72.7 | -42.6 | 178.6 | 180 | -177.1 | 161.2 | -146 | 0 | 111.5 | F42 E43 D44 A49 V50 | F42-K46 WeakPolarHBondContact O-CB 3.09Å; F42-K46 PolarHBondContact O-N 3.21Å; F42-K46 VanDerWaalsContact O-N 3.12Å; E43-K46 WeakPolarHBondContact O-CB 3.36Å; E43-K46 PolarHBondContact O-N 3.07Å; E43-K46 IonicContact OE1-NZ 2.9Å; E43-K46 PolarHBondContact OE1-NZ 2.91Å; E43-K46 IonicContact OE2-NZ 3.42Å; E43-K46 PolarHBondContact OE2-NZ 2.79Å; D44-K46 VanDerWaalsContact C-N 3.25Å; D44-K46 PolarHBondContact O-N 3.45Å; K46-A49 PolarHBondContact O-N 3.3Å; K46-V50 WeakPolarHBondContact O-CG2 3.26Å; K46-V50 PolarHBondContact O-N 3.27Å |
| 47 | A | 95 | Very high | 89.9 | Confident | 42 Ų | 42 | 103.8 Ų | 103.8 | 35% | 0.347 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -59.6 | -49.6 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | E43 D44 A49 V50 E51 | E43-A47 WeakPolarHBondContact O-CB 3.29Å; E43-A47 PolarHBondContact O-N 2.93Å; D44-A47 PolarHBondContact O-N 2.92Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.39Å; A47-V50 PolarHBondContact O-N 3.05Å; A47-V50 VanDerWaalsContact O-N 3.15Å; A47-E51 WeakPolarHBondContact O-CG 3.34Å; A47-E51 PolarHBondContact O-N 3.04Å |
| 48 | R | 92.8 | Very high | 90.9 | Very high | 183 Ų | 183 | 101.5 Ų | 101.5 | 69% | 0.691 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.7 | -40.9 | 177 | -172.3 | 174.4 | -177.5 | 166.9 | 1.6 | 112.5 | D44 E51 S52 | D44-R48 VanDerWaalsContact O-CB 3.27Å; D44-R48 WeakPolarHBondContact O-CB 3.48Å; D44-R48 PolarHBondContact O-N 3.31Å; R48-E51 PolarHBondContact O-N 3.02Å; R48-S52 WeakPolarHBondContact O-CB 3.28Å; R48-S52 PolarHBondContact O-N 3.39Å |
| 49 | A | 94.4 | Very high | 92.1 | Very high | 53 Ų | 53 | 96.3 Ų | 96.3 | 44% | 0.438 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.8 | -44.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S45 K46 A47 S52 L53 | S45-A49 WeakPolarHBondContact O-CB 3.38Å; S45-A49 PolarHBondContact O-N 3.42Å; K46-A49 PolarHBondContact O-N 3.3Å; A47-A49 VanDerWaalsContact C-N 3.33Å; A47-A49 PolarHBondContact O-N 3.39Å; A49-S52 PolarHBondContact O-N 3.25Å; A49-S52 PolarHBondContact O-OG 2.96Å; A49-L53 PolarHBondContact O-N 2.91Å |
| 50 | V | 95.8 | Very high | 93.2 | Very high | 69 Ų | 69 | 90.1 Ų | 90.1 | 42% | 0.418 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -42.3 | 178.3 | 171.6 | 0 | 0 | 0 | 0 | 111.5 | K46 A47 L53 K54 | K46-V50 WeakPolarHBondContact O-CG2 3.26Å; K46-V50 PolarHBondContact O-N 3.27Å; A47-V50 PolarHBondContact O-N 3.05Å; A47-V50 VanDerWaalsContact O-N 3.15Å; V50-L53 PolarHBondContact O-N 3.49Å; V50-K54 HydrophobicContact CG1-CD 4.44Å; V50-K54 WeakPolarHBondContact O-CG 3.42Å; V50-K54 PolarHBondContact O-N 2.98Å |
| 51 | E | 95.8 | Very high | 94.2 | Very high | 121 Ų | 121 | 94.3 Ų | 94.3 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -43.3 | 175.8 | -72.5 | -173.3 | -104.8 | 0 | 0 | 111.8 | A47 R48 L53 K54 L55 | A47-E51 WeakPolarHBondContact O-CG 3.34Å; A47-E51 PolarHBondContact O-N 3.04Å; R48-E51 PolarHBondContact O-N 3.02Å; E51-L53 VanDerWaalsContact C-N 3.27Å; E51-L53 PolarHBondContact O-N 3.48Å; E51-K54 PolarHBondContact O-N 3.23Å; E51-L55 WeakPolarHBondContact O-CG 3.29Å; E51-L55 PolarHBondContact O-N 2.81Å |
| 52 | S | 95.2 | Very high | 94.6 | Very high | 71 Ų | 71 | 97.3 Ų | 97.3 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -59.5 | -39.6 | 176.8 | 80.1 | 0 | 0 | 0 | 0 | 112.1 | R48 A49 L55 A56 | R48-S52 WeakPolarHBondContact O-CB 3.28Å; R48-S52 PolarHBondContact O-N 3.39Å; A49-S52 PolarHBondContact O-N 3.25Å; A49-S52 PolarHBondContact O-OG 2.96Å; S52-L55 PolarHBondContact O-N 2.99Å; S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.38Å |
| 53 | L | 96.1 | Very high | 95.1 | Very high | 109 Ų | 109 | 95.3 Ų | 95.3 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.8 | -44.6 | 177.2 | -179.8 | 65.5 | 0 | 0 | 0 | 111.3 | A49 V50 E51 A56 L57 | A49-L53 PolarHBondContact O-N 2.91Å; V50-L53 PolarHBondContact O-N 3.49Å; E51-L53 VanDerWaalsContact C-N 3.27Å; E51-L53 PolarHBondContact O-N 3.48Å; L53-A56 PolarHBondContact O-N 3.22Å; L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 2.96Å |
| 54 | K | 97.2 | Very high | 95.3 | Very high | 128 Ų | 128 | 96.3 Ų | 96.3 | 56% | 0.557 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60 | -48.5 | 176.8 | -72.5 | 173.6 | -179.5 | 175.3 | 0 | 110.9 | V50 E51 A56 L57 D58 | V50-K54 HydrophobicContact CG1-CD 4.44Å; V50-K54 WeakPolarHBondContact O-CG 3.42Å; V50-K54 PolarHBondContact O-N 2.98Å; E51-K54 PolarHBondContact O-N 3.23Å; K54-A56 VanDerWaalsContact C-N 3.31Å; K54-A56 PolarHBondContact O-N 3.09Å; K54-L57 PolarHBondContact O-N 2.76Å; K54-D58 PolarHBondContact O-N 3.48Å |
| 55 | L | 97.3 | Very high | 95.4 | Very high | 106 Ų | 106 | 98 Ų | 98 | 56% | 0.555 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -58.9 | -43 | 177.5 | -70.3 | 174.3 | 0 | 0 | 0 | 111.5 | E51 S52 L57 D58 T59 | E51-L55 WeakPolarHBondContact O-CG 3.29Å; E51-L55 PolarHBondContact O-N 2.81Å; S52-L55 PolarHBondContact O-N 2.99Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.02Å; L55-D58 PolarHBondContact O-N 3.43Å; L55-T59 VanDerWaalsContact O-CG2 3.28Å; L55-T59 WeakPolarHBondContact O-CG2 3.26Å; L55-T59 PolarHBondContact O-N 2.94Å; L55-T59 PolarHBondContact O-OG1 3.42Å; L55-T59 VanDerWaalsContact O-OG1 3.11Å |
| 56 | A | 96.4 | Very high | 95.6 | Very high | 53 Ų | 53 | 100.1 Ų | 100.1 | 44% | 0.438 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.8 | -38.7 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | S52 L53 K54 T59 A60 | S52-A56 WeakPolarHBondContact O-CB 3.29Å; S52-A56 PolarHBondContact O-N 3.38Å; L53-A56 PolarHBondContact O-N 3.22Å; K54-A56 VanDerWaalsContact C-N 3.31Å; K54-A56 PolarHBondContact O-N 3.09Å; A56-T59 WeakPolarHBondContact CA-OG1 3.35Å; A56-T59 PolarHBondContact O-OG1 3.17Å; A56-A60 WeakPolarHBondContact O-CB 3.45Å; A56-A60 PolarHBondContact O-N 2.86Å; A56-A60 VanDerWaalsContact O-N 3.14Å |
| 57 | L | 97 | Very high | 95.6 | Very high | 97 Ų | 97 | 100.2 Ų | 100.2 | 51% | 0.508 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.8 | -41.2 | 175.6 | -69.9 | 176.8 | 0 | 0 | 0 | 111.8 | L53 K54 L55 A60 R61 | L53-L57 WeakPolarHBondContact O-CG 3.41Å; L53-L57 PolarHBondContact O-N 2.96Å; K54-L57 PolarHBondContact O-N 2.76Å; L55-L57 VanDerWaalsContact C-N 3.35Å; L55-L57 PolarHBondContact O-N 3.02Å; L57-A60 PolarHBondContact O-N 3.03Å; L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 2.99Å |
| 58 | D | 96.4 | Very high | 95.7 | Very high | 71 Ų | 71 | 104 Ų | 104 | 38% | 0.38 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -72.6 | -34.3 | -179.4 | -72.1 | -24.9 | 0 | 0 | 0 | 112.7 | K54 L55 R61 R62 | K54-D58 PolarHBondContact O-N 3.48Å; L55-D58 PolarHBondContact O-N 3.43Å; D58-R61 PolarHBondContact O-N 3.03Å; D58-R61 IonicContact OD1-NH1 3.86Å; D58-R62 WeakPolarHBondContact O-CG 3.42Å; D58-R62 PolarHBondContact O-N 3.38Å; D58-R62 PolarHBondContact O-NE 3.38Å |
| 59 | T | 96.3 | Very high | 95.8 | Very high | 66 Ų | 66 | 99.6 Ų | 99.6 | 41% | 0.405 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.9 | -44 | 171.7 | 53.6 | 0 | 0 | 0 | 0 | 110.9 | L55 A56 R61 R62 E63 | L55-T59 VanDerWaalsContact O-CG2 3.28Å; L55-T59 WeakPolarHBondContact O-CG2 3.26Å; L55-T59 PolarHBondContact O-N 2.94Å; L55-T59 PolarHBondContact O-OG1 3.42Å; L55-T59 VanDerWaalsContact O-OG1 3.11Å; A56-T59 WeakPolarHBondContact CA-OG1 3.35Å; A56-T59 PolarHBondContact O-OG1 3.17Å; T59-R61 VanDerWaalsContact C-N 3.32Å; T59-R61 PolarHBondContact O-N 3.32Å; T59-R62 PolarHBondContact O-N 2.87Å; T59-E63 WeakPolarHBondContact O-CB 3.25Å; T59-E63 PolarHBondContact O-N 3.36Å |
| 60 | A | 94.8 | Very high | 95.9 | Very high | 54 Ų | 54 | 103.1 Ų | 103.1 | 45% | 0.446 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | A56 L57 K64 | A56-A60 WeakPolarHBondContact O-CB 3.45Å; A56-A60 PolarHBondContact O-N 2.86Å; A56-A60 VanDerWaalsContact O-N 3.14Å; L57-A60 PolarHBondContact O-N 3.03Å; A60-K64 WeakPolarHBondContact O-CB 3.44Å; A60-K64 PolarHBondContact O-N 2.95Å; A60-K64 VanDerWaalsContact O-N 3.07Å |
| 61 | R | 96 | Very high | 95.8 | Very high | 163 Ų | 163 | 108.6 Ų | 108.6 | 62% | 0.615 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.3 | -49.8 | 174.4 | -75 | 173.8 | 177.3 | 179.2 | -2.3 | 111.7 | L57 D58 T59 E63 K64 E65 | L57-R61 WeakPolarHBondContact O-CG 3.41Å; L57-R61 PolarHBondContact O-N 2.99Å; D58-R61 PolarHBondContact O-N 3.03Å; D58-R61 IonicContact OD1-NH1 3.86Å; T59-R61 VanDerWaalsContact C-N 3.32Å; T59-R61 PolarHBondContact O-N 3.32Å; R61-E63 VanDerWaalsContact C-N 3.34Å; R61-E63 PolarHBondContact O-N 3.16Å; R61-K64 WeakPolarHBondContact O-CB 3.23Å; R61-K64 PolarHBondContact O-N 3.21Å; R61-E65 PolarHBondContact O-N 2.68Å; R61-E65 VanDerWaalsContact O-N 3.1Å |
| 62 | R | 95.9 | Very high | 95.8 | Very high | 137 Ų | 137 | 110.7 Ų | 110.7 | 52% | 0.517 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -42.8 | 177.4 | -76.4 | -178.3 | -80.1 | 142.4 | -11.5 | 112.2 | D58 T59 K64 E65 L66 | D58-R62 WeakPolarHBondContact O-CG 3.42Å; D58-R62 PolarHBondContact O-N 3.38Å; D58-R62 PolarHBondContact O-NE 3.38Å; T59-R62 PolarHBondContact O-N 2.87Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 2.9Å; R62-E65 WeakPolarHBondContact O-CB 3.44Å; R62-E65 PolarHBondContact O-N 3.49Å; R62-L66 WeakPolarHBondContact O-CG 3.2Å; R62-L66 PolarHBondContact O-N 3.35Å |
| 63 | E | 95.1 | Very high | 95.8 | Very high | 125 Ų | 125 | 112.9 Ų | 112.9 | 58% | 0.584 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63 | -41.3 | 178.2 | -171.5 | 179 | -176.3 | 0 | 0 | 112 | T59 R61 E65 L66 L67 | T59-E63 WeakPolarHBondContact O-CB 3.25Å; T59-E63 PolarHBondContact O-N 3.36Å; R61-E63 VanDerWaalsContact C-N 3.34Å; R61-E63 PolarHBondContact O-N 3.16Å; E63-E65 VanDerWaalsContact C-N 3.29Å; E63-E65 PolarHBondContact O-N 3.12Å; E63-L66 PolarHBondContact O-N 3.23Å; E63-L67 HydrophobicContact CG-CD1 4.45Å; E63-L67 PolarHBondContact O-N 3.39Å |
| 64 | K | 96.9 | Very high | 95.7 | Very high | 131 Ų | 131 | 116.7 Ų | 116.7 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -60.6 | -39 | 174.5 | -176.1 | -178.8 | -178.7 | 178.6 | 0 | 112 | A60 R61 R62 L67 K68 | A60-K64 WeakPolarHBondContact O-CB 3.44Å; A60-K64 PolarHBondContact O-N 2.95Å; A60-K64 VanDerWaalsContact O-N 3.07Å; R61-K64 WeakPolarHBondContact O-CB 3.23Å; R61-K64 PolarHBondContact O-N 3.21Å; R62-K64 VanDerWaalsContact C-N 3.34Å; R62-K64 PolarHBondContact O-N 2.9Å; K64-L67 PolarHBondContact O-N 3.1Å; K64-K68 WeakPolarHBondContact O-CG 2.8Å; K64-K68 PolarHBondContact O-N 3.44Å; K64-K68 VanDerWaalsContact O-N 3.11Å |
| 65 | E | 95.1 | Very high | 95.6 | Very high | 125 Ų | 125 | 116.1 Ų | 116.1 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -67 | -45.2 | 176.1 | -72.6 | 172.6 | -176.4 | 0 | 0 | 111.9 | R61 R62 E63 L67 K68 E69 | R61-E65 PolarHBondContact O-N 2.68Å; R61-E65 VanDerWaalsContact O-N 3.1Å; R62-E65 WeakPolarHBondContact O-CB 3.44Å; R62-E65 PolarHBondContact O-N 3.49Å; E63-E65 VanDerWaalsContact C-N 3.29Å; E63-E65 PolarHBondContact O-N 3.12Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.09Å; E65-K68 WeakPolarHBondContact O-CB 2.84Å; E65-K68 PolarHBondContact O-N 3.37Å; E65-E69 PolarHBondContact O-N 3.21Å |
| 66 | L | 94.4 | Very high | 95.5 | Very high | 97 Ų | 97 | 114.7 Ų | 114.7 | 51% | 0.508 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.6 | -38.3 | 174.8 | -69.2 | 174.3 | 0 | 0 | 0 | 112.2 | R62 E63 E69 K70 | R62-L66 WeakPolarHBondContact O-CG 3.2Å; R62-L66 PolarHBondContact O-N 3.35Å; E63-L66 PolarHBondContact O-N 3.23Å; L66-E69 PolarHBondContact O-N 2.68Å; L66-K70 WeakPolarHBondContact O-CB 3.43Å; L66-K70 WeakPolarHBondContact O-CG 3.43Å; L66-K70 PolarHBondContact O-N 2.82Å |
| 67 | L | 94.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 118 Ų | 118 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 174.7 | -82.6 | 161.7 | 0 | 0 | 0 | 112.4 | E63 K64 E65 K70 R71 | E63-L67 HydrophobicContact CG-CD1 4.45Å; E63-L67 PolarHBondContact O-N 3.39Å; K64-L67 PolarHBondContact O-N 3.1Å; E65-L67 VanDerWaalsContact C-N 3.26Å; E65-L67 PolarHBondContact O-N 3.09Å; L67-K70 PolarHBondContact O-N 2.86Å; L67-R71 PolarHBondContact O-N 3.48Å |
| 68 | K | 97.1 | Very high | 95.2 | Very high | 122 Ų | 122 | 119.6 Ų | 119.6 | 53% | 0.53 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -42.8 | 174.7 | -72.2 | 174.8 | 178 | -177.7 | 0 | 111.4 | K64 E65 R71 R72 | K64-K68 WeakPolarHBondContact O-CG 2.8Å; K64-K68 PolarHBondContact O-N 3.44Å; K64-K68 VanDerWaalsContact O-N 3.11Å; E65-K68 WeakPolarHBondContact O-CB 2.84Å; E65-K68 PolarHBondContact O-N 3.37Å; K68-R71 WeakPolarHBondContact O-CB 3.25Å; K68-R71 PolarHBondContact O-N 3.47Å; K68-R71 VanDerWaalsContact O-N 3.15Å; K68-R72 PolarHBondContact O-N 2.73Å |
| 69 | E | 94.6 | Very high | 94.9 | Very high | 90 Ų | 90 | 120.9 Ų | 120.9 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 177.7 | -162.9 | -163.6 | 152.3 | 0 | 0 | 111.4 | E65 L66 R71 R72 K73 | E65-E69 PolarHBondContact O-N 3.21Å; L66-E69 PolarHBondContact O-N 2.68Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.28Å; E69-R72 PolarHBondContact O-N 3.17Å; E69-K73 PolarHBondContact O-N 3.31Å; E69-K73 VanDerWaalsContact OE1-CE 3.24Å; E69-K73 WeakPolarHBondContact OE1-CE 3.38Å; E69-K73 IonicContact OE1-NZ 3.82Å; E69-K73 PolarHBondContact OE1-NZ 3.26Å |
| 70 | K | 96.6 | Very high | 94.6 | Very high | 128 Ų | 128 | 122.6 Ų | 122.6 | 56% | 0.557 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -58.4 | -41.2 | 172.7 | -76.7 | 175.3 | -179.7 | 175.5 | 0 | 112 | L66 L67 R74 | L66-K70 WeakPolarHBondContact O-CB 3.43Å; L66-K70 WeakPolarHBondContact O-CG 3.43Å; L66-K70 PolarHBondContact O-N 2.82Å; L67-K70 PolarHBondContact O-N 2.86Å; K70-R74 WeakPolarHBondContact O-CG 3.25Å; K70-R74 PolarHBondContact O-N 3.24Å; K70-R74 VanDerWaalsContact O-N 3.1Å |
| 71 | R | 93.8 | Very high | 94.3 | Very high | 183 Ų | 183 | 123.1 Ų | 123.1 | 69% | 0.691 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.8 | -44.7 | 176 | -179.9 | 175.9 | -79 | 138.3 | -4.4 | 111.2 | L67 K68 E69 R74 Q75 | L67-R71 PolarHBondContact O-N 3.48Å; K68-R71 WeakPolarHBondContact O-CB 3.25Å; K68-R71 PolarHBondContact O-N 3.47Å; K68-R71 VanDerWaalsContact O-N 3.15Å; E69-R71 VanDerWaalsContact C-N 3.3Å; E69-R71 PolarHBondContact O-N 3.28Å; R71-R74 PolarHBondContact O-N 3.36Å; R71-Q75 PolarHBondContact O-N 2.87Å |
| 72 | R | 95.3 | Very high | 93.6 | Very high | 165 Ų | 165 | 121.2 Ų | 121.2 | 62% | 0.623 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -48.7 | 177.2 | -175.4 | 178.7 | 172.8 | 170.1 | 4.4 | 111.8 | K68 E69 R74 Q75 E76 | K68-R72 PolarHBondContact O-N 2.73Å; E69-R72 PolarHBondContact O-N 3.17Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 3.37Å; R72-Q75 WeakPolarHBondContact O-CA 3.34Å; R72-Q75 WeakPolarHBondContact O-CB 3.35Å; R72-Q75 PolarHBondContact O-N 3.47Å; R72-E76 HydrophobicContact CG-CG 4.5Å; R72-E76 WeakPolarHBondContact CG-OE1 3.39Å; R72-E76 IonicContact CZ-OE1 3.72Å; R72-E76 IonicContact NE-OE1 2.86Å; R72-E76 PolarHBondContact NE-OE1 3.01Å; R72-E76 IonicContact NH2-OE1 3.75Å; R72-E76 WeakPolarHBondContact O-CG 3.45Å; R72-E76 PolarHBondContact O-N 2.87Å |
| 73 | K | 95.6 | Very high | 93 | Very high | 118 Ų | 118 | 122 Ų | 122 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -57 | -41.4 | 176 | -77.4 | 174.5 | 166.8 | 164.8 | 0 | 112.8 | E69 Q75 E76 F77 | E69-K73 PolarHBondContact O-N 3.31Å; E69-K73 VanDerWaalsContact OE1-CE 3.24Å; E69-K73 WeakPolarHBondContact OE1-CE 3.38Å; E69-K73 IonicContact OE1-NZ 3.82Å; E69-K73 PolarHBondContact OE1-NZ 3.26Å; K73-Q75 VanDerWaalsContact C-N 3.34Å; K73-E76 PolarHBondContact O-N 3.47Å; K73-F77 WeakPolarHBondContact O-CB 3.31Å; K73-F77 PolarHBondContact O-N 3.03Å |
| 74 | R | 94.4 | Very high | 92.2 | Very high | 189 Ų | 189 | 123.7 Ų | 123.7 | 71% | 0.713 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.6 | -39.3 | 175.4 | -72 | 178.4 | -162 | -84.3 | 3.2 | 112.2 | K70 R71 R72 F78 | K70-R74 WeakPolarHBondContact O-CG 3.25Å; K70-R74 PolarHBondContact O-N 3.24Å; K70-R74 VanDerWaalsContact O-N 3.1Å; R71-R74 PolarHBondContact O-N 3.36Å; R72-R74 VanDerWaalsContact C-N 3.32Å; R72-R74 PolarHBondContact O-N 3.37Å; R74-F78 PolarHBondContact O-N 2.85Å |
| 75 | Q | 94.1 | Very high | 91.2 | Very high | 116 Ų | 116 | 125.2 Ų | 125.2 | 54% | 0.542 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -66.7 | -44.5 | 177.3 | -176.6 | 174.4 | 2.2 | 0 | 0 | 111.3 | R71 R72 K73 F78 Q79 | R71-Q75 PolarHBondContact O-N 2.87Å; R72-Q75 WeakPolarHBondContact O-CA 3.34Å; R72-Q75 WeakPolarHBondContact O-CB 3.35Å; R72-Q75 PolarHBondContact O-N 3.47Å; K73-Q75 VanDerWaalsContact C-N 3.34Å; Q75-F78 PolarHBondContact O-N 3.15Å; Q75-Q79 WeakPolarHBondContact O-CG 3.15Å; Q75-Q79 PolarHBondContact O-N 2.71Å |
| 76 | E | 94.6 | Very high | 90.1 | Very high | 76 Ų | 76 | 124.8 Ų | 124.8 | 36% | 0.355 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -59.6 | -46.6 | 174.8 | -72 | 166.8 | -179.2 | 0 | 0 | 110.7 | R72 K73 F78 Q79 E80 | R72-E76 HydrophobicContact CG-CG 4.5Å; R72-E76 WeakPolarHBondContact CG-OE1 3.39Å; R72-E76 IonicContact CZ-OE1 3.72Å; R72-E76 IonicContact NE-OE1 2.86Å; R72-E76 PolarHBondContact NE-OE1 3.01Å; R72-E76 IonicContact NH2-OE1 3.75Å; R72-E76 WeakPolarHBondContact O-CG 3.45Å; R72-E76 PolarHBondContact O-N 2.87Å; K73-E76 PolarHBondContact O-N 3.47Å; E76-F78 VanDerWaalsContact C-N 3.31Å; E76-F78 PolarHBondContact O-N 2.98Å; E76-Q79 WeakPolarHBondContact O-CB 2.91Å; E76-Q79 PolarHBondContact O-N 2.76Å; E76-Q79 VanDerWaalsContact O-N 3.1Å; E76-E80 WeakPolarHBondContact O-CG 3.44Å; E76-E80 PolarHBondContact O-N 2.66Å |
| 77 | F | 94.9 | Very high | 89 | Confident | 123 Ų | 123 | 125.1 Ų | 125.1 | 54% | 0.539 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -58.9 | -40.4 | 174.8 | -176.3 | -98.6 | 0 | 0 | 0 | 112.7 | K73 E80 Q81 | K73-F77 WeakPolarHBondContact O-CB 3.31Å; K73-F77 PolarHBondContact O-N 3.03Å; F77-E80 PolarHBondContact O-N 2.87Å; F77-Q81 HydrophobicContact CD1-CG 3.91Å; F77-Q81 HydrophobicContact CE1-CG 3.57Å; F77-Q81 HydrophobicContact CE2-CG 4.38Å; F77-Q81 HydrophobicContact CG-CG 4.46Å; F77-Q81 HydrophobicContact CZ-CG 3.84Å; F77-Q81 VanDerWaalsContact CZ-NE2 3.31Å; F77-Q81 VanDerWaalsContact O-CB 3.31Å; F77-Q81 WeakPolarHBondContact O-CB 3.42Å; F77-Q81 WeakPolarHBondContact O-CG 3.21Å; F77-Q81 PolarHBondContact O-N 3.32Å |
| 78 | F | 92.6 | Very high | 88.3 | Confident | 130 Ų | 130 | 123.4 Ų | 123.4 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65 | -40.4 | 176.2 | -176.5 | -95.6 | 0 | 0 | 0 | 111.9 | R74 Q75 E76 Q81 K82 | R74-F78 PolarHBondContact O-N 2.85Å; Q75-F78 PolarHBondContact O-N 3.15Å; E76-F78 VanDerWaalsContact C-N 3.31Å; E76-F78 PolarHBondContact O-N 2.98Å; F78-Q81 PolarHBondContact O-N 2.96Å; F78-K82 HydrophobicContact CD1-CG 4.17Å; F78-K82 HydrophobicContact CE1-CD 4.43Å; F78-K82 HydrophobicContact CE1-CG 3.8Å; F78-K82 HydrophobicContact CZ-CG 4.16Å; F78-K82 WeakPolarHBondContact O-CB 3.39Å; F78-K82 WeakPolarHBondContact O-CG 3.48Å; F78-K82 PolarHBondContact O-N 3.44Å |
| 79 | Q | 89.6 | Confident | 87.1 | Confident | 97 Ų | 97 | 121 Ų | 121 | 45% | 0.453 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.7 | -43.3 | 175.2 | -70.1 | -178 | 9.6 | 0 | 0 | 111.7 | Q75 E76 K82 K83 | Q75-Q79 WeakPolarHBondContact O-CG 3.15Å; Q75-Q79 PolarHBondContact O-N 2.71Å; E76-Q79 WeakPolarHBondContact O-CB 2.91Å; E76-Q79 PolarHBondContact O-N 2.76Å; E76-Q79 VanDerWaalsContact O-N 3.1Å; Q79-K82 WeakPolarHBondContact O-CB 3.48Å; Q79-K82 PolarHBondContact O-N 3.06Å; Q79-K83 WeakPolarHBondContact O-CG 3.49Å; Q79-K83 PolarHBondContact O-N 2.93Å |
| 80 | E | 90.6 | Very high | 86 | Confident | 103 Ų | 103 | 122.4 Ų | 122.4 | 48% | 0.481 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.5 | -41.9 | 174.4 | -73.1 | -177.6 | -176.8 | 0 | 0 | 112 | E76 F77 K82 K83 K84 | E76-E80 WeakPolarHBondContact O-CG 3.44Å; E76-E80 PolarHBondContact O-N 2.66Å; F77-E80 PolarHBondContact O-N 2.87Å; E80-K82 VanDerWaalsContact C-N 3.34Å; E80-K83 PolarHBondContact O-N 3.46Å; E80-K84 WeakPolarHBondContact O-CB 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.34Å; E80-K84 PolarHBondContact O-N 2.84Å |
| 81 | Q | 88.3 | Confident | 85 | Confident | 65 Ų | 65 | 118.9 Ų | 118.9 | 30% | 0.304 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -61.9 | -42.3 | 174 | -77.5 | -73.6 | -27.9 | 0 | 0 | 111.5 | F77 F78 K84 K85 | F77-Q81 HydrophobicContact CD1-CG 3.91Å; F77-Q81 HydrophobicContact CE1-CG 3.57Å; F77-Q81 HydrophobicContact CE2-CG 4.38Å; F77-Q81 HydrophobicContact CG-CG 4.46Å; F77-Q81 HydrophobicContact CZ-CG 3.84Å; F77-Q81 VanDerWaalsContact CZ-NE2 3.31Å; F77-Q81 VanDerWaalsContact O-CB 3.31Å; F77-Q81 WeakPolarHBondContact O-CB 3.42Å; F77-Q81 WeakPolarHBondContact O-CG 3.21Å; F77-Q81 PolarHBondContact O-N 3.32Å; F78-Q81 PolarHBondContact O-N 2.96Å; Q81-K84 PolarHBondContact O-N 3.26Å; Q81-K85 VanDerWaalsContact O-CB 3.3Å; Q81-K85 WeakPolarHBondContact O-CB 3.34Å; Q81-K85 WeakPolarHBondContact O-CG 3.46Å; Q81-K85 PolarHBondContact O-N 3.49Å |
| 82 | K | 81.9 | Confident | 84.2 | Confident | 122 Ų | 122 | 113.6 Ų | 113.6 | 53% | 0.53 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 173.7 | -83 | -85.3 | -176.3 | 170.6 | 0 | 111.1 | F78 Q79 E80 K85 L86 | F78-K82 HydrophobicContact CD1-CG 4.17Å; F78-K82 HydrophobicContact CE1-CD 4.43Å; F78-K82 HydrophobicContact CE1-CG 3.8Å; F78-K82 HydrophobicContact CZ-CG 4.16Å; F78-K82 WeakPolarHBondContact O-CB 3.39Å; F78-K82 WeakPolarHBondContact O-CG 3.48Å; F78-K82 PolarHBondContact O-N 3.44Å; Q79-K82 WeakPolarHBondContact O-CB 3.48Å; Q79-K82 PolarHBondContact O-N 3.06Å; E80-K82 VanDerWaalsContact C-N 3.34Å; K82-K85 PolarHBondContact O-N 2.97Å; K82-L86 WeakPolarHBondContact O-CD1 3.07Å; K82-L86 WeakPolarHBondContact O-CG 3.42Å; K82-L86 PolarHBondContact O-N 2.99Å |
| 83 | K | 83.7 | Confident | 83.4 | Confident | 153 Ų | 153 | 112 Ų | 112 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63 | -41.7 | 176.6 | -72.1 | 177.8 | 179.7 | -175.5 | 0 | 112.5 | Q79 E80 L86 | Q79-K83 WeakPolarHBondContact O-CG 3.49Å; Q79-K83 PolarHBondContact O-N 2.93Å; E80-K83 PolarHBondContact O-N 3.46Å; K83-L86 PolarHBondContact O-N 2.81Å |
| 84 | K | 78.9 | Confident | 82.6 | Confident | 161 Ų | 161 | 112.9 Ų | 112.9 | 70% | 0.7 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71.3 | -29.1 | 177.6 | -74 | 179 | 179.2 | 177.5 | 0 | 113.6 | E80 Q81 | E80-K84 WeakPolarHBondContact O-CB 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.34Å; E80-K84 PolarHBondContact O-N 2.84Å; Q81-K84 PolarHBondContact O-N 3.26Å |
| 85 | K | 75.7 | Confident | 81.8 | Confident | 164 Ų | 164 | 108.5 Ų | 108.5 | 71% | 0.713 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -82.6 | -19.9 | 176.9 | -73.7 | -180 | -179.2 | -168.4 | 0 | 113.1 | Q81 K82 | Q81-K85 VanDerWaalsContact O-CB 3.3Å; Q81-K85 WeakPolarHBondContact O-CB 3.34Å; Q81-K85 WeakPolarHBondContact O-CG 3.46Å; Q81-K85 PolarHBondContact O-N 3.49Å; K82-K85 PolarHBondContact O-N 2.97Å |
| 86 | L | 72 | Confident | 81.1 | Confident | 115 Ų | 115 | 109.6 Ų | 109.6 | 60% | 0.602 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -75.9 | 131 | 167.3 | -74.3 | 156.4 | 0 | 0 | 0 | 107.5 | K82 K83 | K82-L86 WeakPolarHBondContact O-CD1 3.07Å; K82-L86 WeakPolarHBondContact O-CG 3.42Å; K82-L86 PolarHBondContact O-N 2.99Å; K83-L86 PolarHBondContact O-N 2.81Å |
| 87 | L | 70.8 | Confident | 80.4 | Confident | 104 Ų | 104 | 110.1 Ų | 110.1 | 55% | 0.545 | 55% | 0.553 | S | S | . | * | P | Polyproline II helix | trans | -62.3 | 149.6 | 169.9 | -63.7 | 169.3 | 0 | 0 | 0 | 108.4 | V91 L92 | L87-V91 HydrophobicContact CB-CG1 4.45Å; L87-V91 HydrophobicContact CD1-CG1 4.48Å; L87-L92 HydrophobicContact CB-CD2 4.18Å; L87-L92 HydrophobicContact CB-CG 4.13Å; L87-L92 HydrophobicContact CD1-CD2 4.23Å |
| 88 | S | 78.6 | Confident | 79.5 | Confident | 67 Ų | 67 | 108.9 Ų | 108.9 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | P | Polyproline II helix | trans | -55.7 | 143.7 | 175.4 | 44.5 | 0 | 0 | 0 | 0 | 109.7 | D90 V91 L92 | S88-D90 PolarHBondContact O-N 2.91Å; S88-D90 VanDerWaalsContact O-N 3.15Å; S88-V91 PolarHBondContact O-N 3.25Å; S88-V91 VanDerWaalsContact OG-CG2 3.28Å; S88-V91 WeakPolarHBondContact OG-CG2 3.27Å; S88-L92 PolarHBondContact O-N 3.37Å |
| 89 | A | 72.1 | Confident | 78.2 | Confident | 71 Ų | 71 | 108.2 Ų | 108.2 | 59% | 0.587 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -51.9 | -40.6 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | V91 L92 E93 | A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 2.62Å; A89-L92 PolarHBondContact O-N 3.45Å; A89-L92 VanDerWaalsContact O-N 3.08Å; A89-E93 PolarHBondContact O-N 3.42Å |
| 90 | D | 71.8 | Confident | 77 | Confident | 120 Ų | 120 | 108.6 Ų | 108.6 | 64% | 0.642 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -57 | -37.4 | 177.3 | -47.9 | -8.9 | 0 | 0 | 0 | 113.3 | S88 E94 | S88-D90 PolarHBondContact O-N 2.91Å; S88-D90 VanDerWaalsContact O-N 3.15Å; D90-E94 WeakPolarHBondContact O-CB 3.33Å; D90-E94 PolarHBondContact O-N 2.93Å |
| 91 | V | 76.5 | Confident | 75.3 | Confident | 54 Ų | 54 | 113.6 Ų | 113.6 | 33% | 0.327 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -76.6 | -33.3 | 178.7 | 173.4 | 0 | 0 | 0 | 0 | 111 | L87 S88 A89 I95 | L87-V91 HydrophobicContact CB-CG1 4.45Å; L87-V91 HydrophobicContact CD1-CG1 4.48Å; S88-V91 PolarHBondContact O-N 3.25Å; S88-V91 VanDerWaalsContact OG-CG2 3.28Å; S88-V91 WeakPolarHBondContact OG-CG2 3.27Å; A89-V91 VanDerWaalsContact C-N 3.29Å; A89-V91 PolarHBondContact O-N 2.62Å; V91-I95 HydrophobicContact CG1-CD1 4.18Å; V91-I95 WeakPolarHBondContact O-CD1 3.49Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.12Å; V91-I95 PolarHBondContact O-N 3.22Å; V91-I95 VanDerWaalsContact O-N 3.14Å |
| 92 | L | 75.6 | Confident | 73.6 | Confident | 73 Ų | 73 | 119.9 Ų | 119.9 | 38% | 0.382 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -70.1 | -41.5 | 174.9 | -67.7 | 172.3 | 0 | 0 | 0 | 111.2 | L87 S88 A89 E94 I95 D96 | L87-L92 HydrophobicContact CB-CD2 4.18Å; L87-L92 HydrophobicContact CB-CG 4.13Å; L87-L92 HydrophobicContact CD1-CD2 4.23Å; S88-L92 PolarHBondContact O-N 3.37Å; A89-L92 PolarHBondContact O-N 3.45Å; A89-L92 VanDerWaalsContact O-N 3.08Å; L92-E94 VanDerWaalsContact C-N 3.32Å; L92-E94 PolarHBondContact O-N 3.45Å; L92-I95 PolarHBondContact O-N 2.92Å; L92-D96 PolarHBondContact O-N 3.46Å |
| 93 | E | 79 | Confident | 72.2 | Confident | 131 Ų | 131 | 123.3 Ų | 123.3 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -63.4 | -38 | 175.3 | -172.1 | 175.2 | -179.1 | 0 | 0 | 111.7 | A89 D96 S97 | A89-E93 PolarHBondContact O-N 3.42Å; E93-D96 PolarHBondContact O-N 3.28Å; E93-S97 VanDerWaalsContact O-CB 3.23Å; E93-S97 WeakPolarHBondContact O-CB 3.31Å; E93-S97 PolarHBondContact O-N 2.79Å; E93-S97 PolarHBondContact O-OG 3.27Å |
| 94 | E | 79.8 | Confident | 70.1 | Confident | 136 Ų | 136 | 125.4 Ų | 125.4 | 64% | 0.636 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -62.8 | -44.2 | 173.1 | -171 | 179 | 176.7 | 0 | 0 | 111.8 | D90 L92 S97 V98 | D90-E94 WeakPolarHBondContact O-CB 3.33Å; D90-E94 PolarHBondContact O-N 2.93Å; L92-E94 VanDerWaalsContact C-N 3.32Å; L92-E94 PolarHBondContact O-N 3.45Å; E94-S97 PolarHBondContact O-N 2.95Å; E94-V98 WeakPolarHBondContact O-CG2 3.41Å; E94-V98 PolarHBondContact O-N 3.06Å |
| 95 | I | 77.7 | Confident | 68.2 | Low | 98 Ų | 98 | 123.8 Ų | 123.8 | 50% | 0.503 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -63.8 | -42.9 | 178.2 | -67.5 | 163.5 | 0 | 0 | 0 | 111.4 | V91 L92 S97 V98 | V91-I95 HydrophobicContact CG1-CD1 4.18Å; V91-I95 WeakPolarHBondContact O-CD1 3.49Å; V91-I95 VanDerWaalsContact O-CG1 3.25Å; V91-I95 WeakPolarHBondContact O-CG1 3.12Å; V91-I95 PolarHBondContact O-N 3.22Å; V91-I95 VanDerWaalsContact O-N 3.14Å; L92-I95 PolarHBondContact O-N 2.92Å; I95-S97 VanDerWaalsContact C-N 3.32Å; I95-V98 PolarHBondContact O-N 2.85Å |
| 96 | D | 79.1 | Confident | 66.3 | Low | 139 Ų | 139 | 120.8 Ų | 120.8 | 74% | 0.743 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -71.9 | -27.6 | -180 | -72.6 | -19.6 | 0 | 0 | 0 | 112.3 | L92 E93 V98 | L92-D96 PolarHBondContact O-N 3.46Å; E93-D96 PolarHBondContact O-N 3.28Å; D96-V98 VanDerWaalsContact C-N 3.31Å |
| 97 | S | 78.6 | Confident | 64.7 | Low | 86 Ų | 86 | 123.9 Ų | 123.9 | 60% | 0.601 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -76.6 | -15.2 | 176.3 | -62 | 0 | 0 | 0 | 0 | 113.5 | E93 E94 I95 P99 | E93-S97 VanDerWaalsContact O-CB 3.23Å; E93-S97 WeakPolarHBondContact O-CB 3.31Å; E93-S97 PolarHBondContact O-N 2.79Å; E93-S97 PolarHBondContact O-OG 3.27Å; E94-S97 PolarHBondContact O-N 2.95Å; I95-S97 VanDerWaalsContact C-N 3.32Å; S97-P99 WeakPolarHBondContact O-CD 3.38Å |
| 98 | V | 76.7 | Confident | 62.9 | Low | 97 Ų | 97 | 126.8 Ų | 126.8 | 59% | 0.588 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -75.6 | 111.7 | 174 | 175.7 | 0 | 0 | 0 | 0 | 108.8 | E94 I95 D96 S100 | E94-V98 WeakPolarHBondContact O-CG2 3.41Å; E94-V98 PolarHBondContact O-N 3.06Å; I95-V98 PolarHBondContact O-N 2.85Å; D96-V98 VanDerWaalsContact C-N 3.31Å; V98-S100 PolarHBondContact O-N 2.91Å |
| 99 | P | 66.1 | Low | 61 | Low | 116 Ų | 116 | 132.6 Ų | 132.6 | 75% | 0.753 | 71% | 0.71 | S | S | * | * | trans | -64.6 | 115.5 | 179.2 | 26 | -32.9 | 0 | 0 | 0 | 109.6 | S97 K101 | S97-P99 WeakPolarHBondContact O-CD 3.38Å; P99-K101 PolarHBondContact O-N 2.89Å | ||
| 100 | S | 62.6 | Low | 59 | Low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 72% | 0.722 | S | S | * | * | trans | -59 | 108.3 | 173.6 | 56.5 | 0 | 0 | 0 | 0 | 109.8 | V98 K102 | V98-S100 PolarHBondContact O-N 2.91Å; S100-K102 PolarHBondContact O-N 3.38Å | ||
| 101 | K | 56.2 | Low | 57.1 | Low | 207 Ų | 207 | 136 Ų | 136 | 90% | 0.9 | 73% | 0.727 | S | S | * | * | trans | -64.9 | 99.4 | 174.2 | -118.9 | 175.9 | -179.5 | 175 | 0 | 108.2 | P99 Q103 | P99-K101 PolarHBondContact O-N 2.89Å; K101-Q103 PolarHBondContact O-N 3.28Å; K101-Q103 VanDerWaalsContact O-N 3.15Å | ||
| 102 | K | 53.2 | Low | 55 | Low | 198 Ų | 198 | 142 Ų | 142 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | -51.8 | 112.9 | 176.3 | -61.7 | 179.6 | -179.7 | -180 | 0 | 110.7 | S100 | S100-K102 PolarHBondContact O-N 3.38Š| ||
| 103 | Q | 50.7 | Low | 52.8 | Low | 193 Ų | 193 | 145.4 Ų | 145.4 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 128.3 | 158.4 | -75.1 | -177.2 | -32.5 | 0 | 0 | 108.3 | K101 | K101-Q103 PolarHBondContact O-N 3.28Å; K101-Q103 VanDerWaalsContact O-N 3.15Å |
| 104 | K | 41.1 | Very low | 50.6 | Low | 198 Ų | 198 | 145.9 Ų | 145.9 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 148.6 | -179.3 | -64.8 | 177 | 177.4 | 179.2 | 0 | 110.9 | ||
| 105 | P | 38.8 | Very low | 48.2 | Very low | 126 Ų | 126 | 144.7 Ų | 144.7 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -82.8 | 137.5 | 166.3 | 33.9 | -28.8 | 0 | 0 | 0 | 109.8 | ||
| 106 | A | 35.3 | Very low | 46.2 | Very low | 102 Ų | 102 | 148 Ų | 148 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | trans | -120.7 | 115.4 | 161.2 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 107 | E | 39 | Very low | 44 | Very low | 180 Ų | 180 | 149.8 Ų | 149.8 | 84% | 0.841 | 80% | 0.798 | S | S | * | * | trans | -71.6 | 140.5 | 165.1 | -60.9 | -179.6 | 162.3 | 0 | 0 | 108.5 | ||||
| 108 | D | 32.2 | Very low | 42 | Very low | 165 Ų | 165 | 154 Ų | 154 | 88% | 0.882 | 81% | 0.805 | S | S | * | * | trans | -180 | 128 | 136.9 | -93.7 | -23.2 | 0 | 0 | 0 | 110.8 | ||||
| 109 | E | 38.8 | Very low | 40 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 88% | 0.879 | 82% | 0.818 | S | S | * | * | trans | -71.3 | 134.7 | 169.5 | -70.4 | -159.2 | 151.8 | 0 | 0 | 111.3 | ||||
| 110 | V | 31.1 | Very low | 38.4 | Very low | 139 Ų | 139 | 164.1 Ų | 164.1 | 84% | 0.842 | 82% | 0.823 | S | S | * | * | trans | -149.7 | 123.1 | 146.4 | -175.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 111 | T | 31.4 | Very low | 37.2 | Very low | 123 Ų | 123 | 168.8 Ų | 168.8 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -67 | 138.6 | 167.7 | 46 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 112 | H | 31.4 | Very low | 36.2 | Very low | 181 Ų | 181 | 170.7 Ų | 170.7 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | trans | -161.5 | 123.2 | 135.1 | -122.2 | -48.4 | 0 | 0 | 0 | 114.1 | ||||
| 113 | D | 30.6 | Very low | 35.5 | Very low | 144 Ų | 144 | 171.8 Ų | 171.8 | 77% | 0.77 | 83% | 0.825 | S | S | * | * | trans | -63 | 149.7 | 164.9 | -133.8 | -18.9 | 0 | 0 | 0 | 111.9 | ||||
| 114 | L | 31.9 | Very low | 34.5 | Very low | 141 Ų | 141 | 166.7 Ų | 166.7 | 74% | 0.738 | 82% | 0.824 | S | S | * | * | trans | 163 | 112.6 | 136.1 | -87.1 | 155 | 0 | 0 | 0 | 114.8 | ||||
| 115 | T | 30.8 | Very low | 34 | Very low | 112 Ų | 112 | 160.8 Ų | 160.8 | 69% | 0.687 | 82% | 0.819 | S | S | * | * | trans | 66 | 110 | 130.5 | 53.6 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 116 | Q | 35.3 | Very low | 34.1 | Very low | 168 Ų | 168 | 166.6 Ų | 166.6 | 79% | 0.785 | 83% | 0.825 | S | S | * | * | 32.4 | 114.7 | 118.7 | -62.6 | -114.5 | 9.2 | 0 | 0 | 119.4 | |||||
| 117 | M | 31.9 | Very low | 34.2 | Very low | 175 Ų | 175 | 171 Ų | 171 | 86% | 0.862 | 83% | 0.828 | S | S | * | * | trans | -134.9 | 116.5 | 141.2 | -89.9 | -139.5 | 83 | 0 | 0 | 111.8 | ||||
| 118 | K | 36.9 | Very low | 34.4 | Very low | 176 Ų | 176 | 173.9 Ų | 173.9 | 77% | 0.765 | 83% | 0.831 | S | S | * | * | trans | -67.6 | 144.4 | 157 | -79.4 | 176.2 | 171 | 169.8 | 0 | 110 | ||||
| 119 | R | 35.3 | Very low | 34.7 | Very low | 224 Ų | 224 | 173.3 Ų | 173.3 | 85% | 0.845 | 83% | 0.828 | S | S | * | * | trans | -171.4 | 110.5 | 138.4 | -100.8 | 164.6 | 95.2 | 111.1 | 3.5 | 108.6 | ||||
| 120 | K | 32.7 | Very low | 34.7 | Very low | 201 Ų | 201 | 170.2 Ų | 170.2 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | 85.4 | 120.5 | 84.4 | -146.5 | -179.6 | -171.6 | -178.3 | 0 | 112.8 | |||||
| 121 | R | 37.2 | Very low | 35.3 | Very low | 203 Ų | 203 | 173 Ų | 173 | 77% | 0.766 | 83% | 0.828 | S | S | * | * | trans | -42.9 | 153.7 | -174.6 | -35.3 | -168.6 | 84.7 | 171.7 | 10 | 117 | ||||
| 122 | R | 33.8 | Very low | 35.7 | Very low | 247 Ų | 247 | 175.9 Ų | 175.9 | 93% | 0.932 | 83% | 0.833 | S | S | * | * | trans | -140.1 | 135 | 131.1 | -66.5 | -160 | 82.1 | 179.5 | 3.2 | 111.5 | ||||
| 123 | R | 38.4 | Very low | 36.6 | Very low | 222 Ų | 222 | 172.2 Ų | 172.2 | 84% | 0.838 | 83% | 0.828 | S | S | * | * | trans | -90 | 152 | 163.4 | -84.1 | -178.1 | 165.4 | -174.5 | -4 | 108.5 | ||||
| 124 | G | 30.6 | Very low | 37.3 | Very low | 85 Ų | 85 | 174 Ų | 174 | 88% | 0.876 | 83% | 0.831 | S | S | * | * | trans | 117.7 | 130.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 125 | G | 31 | Very low | 38 | Very low | 74 Ų | 74 | 173.9 Ų | 173.9 | 76% | 0.763 | 84% | 0.837 | S | S | * | * | cis | -168.4 | 164.5 | -0.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 126 | R | 41.3 | Very low | 38.8 | Very low | 248 Ų | 248 | 175.8 Ų | 175.8 | 94% | 0.936 | 84% | 0.842 | S | S | * | * | trans | -31.3 | 142.1 | 178.9 | -70.3 | 168.9 | 169 | -174.7 | -4.9 | 114.5 | ||||
| 127 | Q | 36.8 | Very low | 39.3 | Very low | 195 Ų | 195 | 173.8 Ų | 173.8 | 91% | 0.911 | 84% | 0.843 | S | S | * | * | trans | -158.5 | 152.2 | 130.7 | -81.8 | -112.1 | 3.8 | 0 | 0 | 110.1 | ||||
| 128 | R | 42.5 | Very low | 40.4 | Very low | 240 Ų | 240 | 176.9 Ų | 176.9 | 91% | 0.906 | 85% | 0.845 | S | S | * | * | trans | -73.2 | 152.9 | -166.7 | -70.5 | 164 | 166.8 | 165.4 | -6.6 | 112.2 | ||||
| 129 | N | 38.2 | Very low | 41.4 | Very low | 154 Ų | 154 | 173.5 Ų | 173.5 | 82% | 0.824 | 84% | 0.844 | S | S | * | * | trans | -52.2 | 152.5 | 171.8 | -64.9 | -20.8 | 0 | 0 | 0 | 112.1 | ||||
| 130 | P | 39.6 | Very low | 42.7 | Very low | 122 Ų | 122 | 171.1 Ų | 171.1 | 79% | 0.792 | 85% | 0.847 | S | S | * | * | -130.7 | 153.3 | 85.5 | 7.9 | 15 | 0 | 0 | 0 | 113.9 | E132 | P130-E132 PolarHBondContact O-N 3.05Š| |||
| 131 | Q | 43.3 | Very low | 44.1 | Very low | 197 Ų | 197 | 171.5 Ų | 171.5 | 92% | 0.921 | 85% | 0.849 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 119.3 | 179.1 | -75.5 | 168.5 | -56.1 | 0 | 0 | 112.6 | ||
| 132 | E | 41.3 | Very low | 45.6 | Very low | 185 Ų | 185 | 164.6 Ų | 164.6 | 86% | 0.864 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 144.4 | 165.4 | -92 | 177.5 | 151 | 0 | 0 | 111.3 | P130 | P130-E132 PolarHBondContact O-N 3.05Š|
| 133 | S | 50.3 | Low | 47.7 | Very low | 104 Ų | 104 | 158.4 Ų | 158.4 | 73% | 0.727 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 122 | 179.6 | 49.2 | 0 | 0 | 0 | 0 | 113.9 | ||
| 134 | E | 45.2 | Very low | 49.3 | Very low | 181 Ų | 181 | 158.2 Ų | 158.2 | 85% | 0.846 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -99.5 | 118.5 | 147.3 | -66.8 | -149.4 | 175.5 | 0 | 0 | 108.6 | L136 | E134-L136 PolarHBondContact O-N 3.25Š|
| 135 | T | 46.5 | Very low | 51.3 | Low | 139 Ų | 139 | 160.1 Ų | 160.1 | 85% | 0.853 | 83% | 0.831 | S | S | * | * | trans | -60.7 | 94.2 | 176.8 | 42.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 136 | L | 46.5 | Very low | 53.1 | Low | 151 Ų | 151 | 162.5 Ų | 162.5 | 79% | 0.791 | 83% | 0.83 | S | S | * | * | trans | -75.9 | 137.4 | 166.3 | -68.5 | 166.2 | 0 | 0 | 0 | 109.5 | E134 R138 | E134-L136 PolarHBondContact O-N 3.25Å; L136-R138 PolarHBondContact O-N 3.14Å | ||
| 137 | P | 45.6 | Very low | 54.4 | Low | 126 Ų | 126 | 155.6 Ų | 155.6 | 82% | 0.818 | 82% | 0.82 | S | S | * | * | S | Bend | trans | -67.4 | 120.8 | 172.6 | 27.6 | -31.1 | 0 | 0 | 0 | 109.7 | ||
| 138 | R | 56.4 | Low | 55.9 | Low | 240 Ų | 240 | 151.3 Ų | 151.3 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | S | Bend | trans | 52.6 | 91.1 | 166.7 | -151.9 | 167 | -166.2 | -114.5 | 3.2 | 115.4 | L136 L140 | L136-R138 PolarHBondContact O-N 3.14Å; R138-L140 PolarHBondContact O-N 3.03Å; R138-L140 VanDerWaalsContact O-N 3.12Å |
| 139 | S | 56.8 | Low | 56.5 | Low | 105 Ų | 105 | 144.9 Ų | 144.9 | 73% | 0.734 | 81% | 0.805 | S | S | * | * | trans | -47 | 111.6 | 171.9 | 59.8 | 0 | 0 | 0 | 0 | 112.9 | K141 | S139-K141 PolarHBondContact O-N 3.37Å; S139-K141 VanDerWaalsContact O-N 3.16Å | ||
| 140 | L | 63.8 | Low | 57.6 | Low | 174 Ų | 174 | 140.6 Ų | 140.6 | 91% | 0.911 | 79% | 0.785 | S | S | * | * | trans | -67.9 | 107.8 | 158.5 | -72 | 169.5 | 0 | 0 | 0 | 107.2 | R138 G142 | R138-L140 PolarHBondContact O-N 3.03Å; R138-L140 VanDerWaalsContact O-N 3.12Å; L140-G142 VanDerWaalsContact C-N 3.33Å; L140-G142 PolarHBondContact O-N 3.35Å | ||
| 141 | K | 61.2 | Low | 58.4 | Low | 210 Ų | 210 | 141.7 Ų | 141.7 | 91% | 0.913 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -77.7 | 84.5 | -178.8 | -159.2 | 161.7 | -176.7 | -173.1 | 0 | 108.9 | S139 | S139-K141 PolarHBondContact O-N 3.37Å; S139-K141 VanDerWaalsContact O-N 3.16Å |
| 142 | G | 69.7 | Low | 59.2 | Low | 57 Ų | 57 | 141.3 Ų | 141.3 | 59% | 0.588 | 77% | 0.774 | S | S | * | * | trans | 154.3 | 104.6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L140 Y144 | L140-G142 VanDerWaalsContact C-N 3.33Å; L140-G142 PolarHBondContact O-N 3.35Å; G142-Y144 PolarHBondContact O-N 3.29Å | ||
| 143 | S | 76.1 | Confident | 60.2 | Low | 118 Ų | 118 | 135.2 Ų | 135.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -78.8 | 106.7 | 163.2 | 48.8 | 0 | 0 | 0 | 0 | 109 | ||||
| 144 | Y | 71.9 | Confident | 60.6 | Low | 217 Ų | 217 | 138.7 Ų | 138.7 | 85% | 0.851 | 77% | 0.766 | S | S | * | * | trans | -83.4 | 114.6 | 171.3 | -110.9 | -97.8 | 0 | 0 | 0 | 109.4 | G142 | G142-Y144 PolarHBondContact O-N 3.29Š| ||
| 145 | T | 73.9 | Confident | 61.4 | Low | 126 Ų | 126 | 132.6 Ų | 132.6 | 77% | 0.773 | 74% | 0.743 | S | S | * | * | trans | -94.3 | 100.3 | 168.3 | -53.7 | 0 | 0 | 0 | 0 | 107.5 | S147 | T145-S147 PolarHBondContact O-N 2.86Š| ||
| 146 | V | 68.8 | Low | 63 | Low | 124 Ų | 124 | 127.9 Ų | 127.9 | 75% | 0.752 | 71% | 0.713 | S | S | * | * | trans | -81.3 | 107 | 173 | -179.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 147 | S | 68.1 | Low | 65 | Low | 102 Ų | 102 | 129.7 Ų | 129.7 | 71% | 0.713 | 71% | 0.71 | S | S | * | * | trans | -99.1 | 119.9 | 167.2 | 50 | 0 | 0 | 0 | 0 | 108 | T145 A149 | T145-S147 PolarHBondContact O-N 2.86Å; S147-A149 PolarHBondContact O-N 2.8Å | ||
| 148 | T | 68.4 | Low | 67.2 | Low | 105 Ų | 105 | 130.8 Ų | 130.8 | 64% | 0.644 | 70% | 0.704 | S | S | * | * | trans | -72 | 117 | 168.6 | 49.8 | 0 | 0 | 0 | 0 | 107.4 | T150 | T148-T150 PolarHBondContact O-N 3.48Š| ||
| 149 | A | 55.2 | Low | 68.7 | Low | 105 Ų | 105 | 125 Ų | 125 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | trans | -71.5 | 78 | 171.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S147 | S147-A149 PolarHBondContact O-N 2.8Š| ||
| 150 | T | 61.1 | Low | 70.4 | Confident | 65 Ų | 65 | 124.2 Ų | 124.2 | 40% | 0.399 | 67% | 0.667 | S | S | . | * | trans | -76.1 | 127.1 | 164.3 | 50.4 | 0 | 0 | 0 | 0 | 107.4 | T148 R152 | T148-T150 PolarHBondContact O-N 3.48Å; T150-R152 WeakPolarHBondContact O-CA 3.35Å; T150-R152 WeakPolarHBondContact O-CB 3.3Å; T150-R152 VanDerWaalsContact O-CG 3.25Å; T150-R152 WeakPolarHBondContact O-CG 3.3Å; T150-R152 PolarHBondContact O-N 3.22Å | ||
| 151 | D | 55.9 | Low | 71.9 | Confident | 145 Ų | 145 | 118.1 Ų | 118.1 | 78% | 0.775 | 64% | 0.642 | S | S | * | * | trans | -56.7 | 104.7 | 174.6 | -173.5 | 20.2 | 0 | 0 | 0 | 109.8 | G153 S155 | D151-G153 PolarHBondContact O-N 3.08Å; D151-S155 PolarHBondContact O-OG 3.48Å | ||
| 152 | R | 59.8 | Low | 73.4 | Confident | 189 Ų | 189 | 110.5 Ų | 110.5 | 71% | 0.713 | 62% | 0.618 | S | S | * | * | trans | -97.1 | 9.7 | -144 | -117.2 | 167.3 | -170 | -98.4 | 4.2 | 115.3 | T150 | T150-R152 WeakPolarHBondContact O-CA 3.35Å; T150-R152 WeakPolarHBondContact O-CB 3.3Å; T150-R152 VanDerWaalsContact O-CG 3.25Å; T150-R152 WeakPolarHBondContact O-CG 3.3Å; T150-R152 PolarHBondContact O-N 3.22Å | ||
| 153 | G | 62.1 | Low | 74.4 | Confident | 56 Ų | 56 | 112.1 Ų | 112.1 | 58% | 0.577 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -105.7 | -67 | -170.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | D151 | D151-G153 PolarHBondContact O-N 3.08Š|
| 154 | Q | 59.7 | Low | 75.3 | Confident | 177 Ų | 177 | 110.3 Ų | 110.3 | 83% | 0.827 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -90.8 | -33.9 | -172.6 | -63.7 | -175.6 | -12.8 | 0 | 0 | 112.6 | D156 Y157 Q158 | Q154-D156 VanDerWaalsContact C-N 3.25Å; Q154-D156 PolarHBondContact O-N 3.15Å; Q154-Y157 PolarHBondContact O-N 2.93Å; Q154-Q158 PolarHBondContact O-N 2.94Å |
| 155 | S | 62.6 | Low | 76.4 | Confident | 53 Ų | 53 | 106.2 Ų | 106.2 | 37% | 0.371 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.7 | -32.6 | 178 | 75 | 0 | 0 | 0 | 0 | 112 | D151 R159 | D151-S155 PolarHBondContact O-OG 3.48Å; S155-R159 WeakPolarHBondContact O-CB 3.31Å; S155-R159 PolarHBondContact O-N 2.99Å |
| 156 | D | 80.1 | Confident | 77.2 | Confident | 41 Ų | 41 | 104.2 Ų | 104.2 | 22% | 0.219 | 56% | 0.562 | C | S | . | * | H | α-helix | trans | -72.2 | -38 | -179.1 | -72.9 | -22.9 | 0 | 0 | 0 | 111.9 | Q154 R159 Q160 | Q154-D156 VanDerWaalsContact C-N 3.25Å; Q154-D156 PolarHBondContact O-N 3.15Å; D156-R159 IonicContact OD1-CZ 2.71Å; D156-R159 IonicContact OD1-NH1 2.65Å; D156-R159 PolarHBondContact OD1-NH1 2.86Å; D156-R159 IonicContact OD1-NH2 2.76Å; D156-R159 PolarHBondContact OD1-NH2 3.48Å; D156-Q160 VanDerWaalsContact O-CB 3.31Å; D156-Q160 WeakPolarHBondContact O-CB 3.25Å; D156-Q160 PolarHBondContact O-N 3Å |
| 157 | Y | 88.8 | Confident | 78.3 | Confident | 188 Ų | 188 | 103.9 Ų | 103.9 | 74% | 0.737 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -67.5 | -46.8 | 175.5 | -178.9 | -98.7 | 0 | 0 | 0 | 111.6 | Q154 R159 Q160 A161 | Q154-Y157 PolarHBondContact O-N 2.93Å; Y157-R159 VanDerWaalsContact C-N 3.32Å; Y157-R159 PolarHBondContact O-N 3.06Å; Y157-Q160 PolarHBondContact O-N 2.71Å; Y157-A161 WeakPolarHBondContact O-CB 3.41Å; Y157-A161 PolarHBondContact O-N 3.25Å |
| 158 | Q | 89.9 | Confident | 79.5 | Confident | 149 Ų | 149 | 102.7 Ų | 102.7 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.2 | -38 | 177.5 | -170.2 | 177.5 | 11.3 | 0 | 0 | 111.5 | Q154 A161 A162 | Q154-Q158 PolarHBondContact O-N 2.94Å; Q158-A161 PolarHBondContact O-N 3.41Å; Q158-A162 WeakPolarHBondContact O-CB 3.47Å; Q158-A162 PolarHBondContact O-N 3.44Å |
| 159 | R | 89.9 | Confident | 80.6 | Confident | 118 Ų | 118 | 106.7 Ų | 106.7 | 45% | 0.445 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.6 | -46.4 | 173.2 | -174.1 | 177.2 | 74.4 | -131 | -7.4 | 111.2 | S155 D156 Y157 A161 A162 E163 | S155-R159 WeakPolarHBondContact O-CB 3.31Å; S155-R159 PolarHBondContact O-N 2.99Å; D156-R159 IonicContact OD1-CZ 2.71Å; D156-R159 IonicContact OD1-NH1 2.65Å; D156-R159 PolarHBondContact OD1-NH1 2.86Å; D156-R159 IonicContact OD1-NH2 2.76Å; D156-R159 PolarHBondContact OD1-NH2 3.48Å; Y157-R159 VanDerWaalsContact C-N 3.32Å; Y157-R159 PolarHBondContact O-N 3.06Å; R159-A161 PolarHBondContact O-N 2.92Å; R159-A162 PolarHBondContact O-N 3.06Å; R159-E163 WeakPolarHBondContact CG-OE1 3.43Å; R159-E163 IonicContact NE-OE1 3.03Å; R159-E163 WeakPolarHBondContact O-CB 3.23Å; R159-E163 WeakPolarHBondContact O-CG 3.43Å; R159-E163 PolarHBondContact O-N 2.7Å |
| 160 | Q | 92.1 | Very high | 82.3 | Confident | 89 Ų | 89 | 105 Ų | 105 | 42% | 0.416 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 177.2 | -170.3 | 62.7 | 52.5 | 0 | 0 | 111.2 | D156 Y157 A162 E163 D164 | D156-Q160 VanDerWaalsContact O-CB 3.31Å; D156-Q160 WeakPolarHBondContact O-CB 3.25Å; D156-Q160 PolarHBondContact O-N 3Å; Y157-Q160 PolarHBondContact O-N 2.71Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.42Å; Q160-E163 PolarHBondContact O-N 2.84Å; Q160-D164 PolarHBondContact NE2-OD1 3.37Å; Q160-D164 WeakPolarHBondContact O-CB 3.21Å; Q160-D164 PolarHBondContact O-N 2.89Å |
| 161 | A | 94.4 | Very high | 83.8 | Confident | 47 Ų | 47 | 106.2 Ų | 106.2 | 39% | 0.388 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -38.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y157 Q158 R159 F165 | Y157-A161 WeakPolarHBondContact O-CB 3.41Å; Y157-A161 PolarHBondContact O-N 3.25Å; Q158-A161 PolarHBondContact O-N 3.41Å; R159-A161 PolarHBondContact O-N 2.92Å; A161-F165 VanDerWaalsContact O-CB 3.31Å; A161-F165 WeakPolarHBondContact O-CB 3.3Å; A161-F165 PolarHBondContact O-N 2.81Å |
| 162 | A | 92.8 | Very high | 85.3 | Confident | 49 Ų | 49 | 99.9 Ų | 99.9 | 41% | 0.405 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -41.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q158 R159 Q160 F165 I166 | Q158-A162 WeakPolarHBondContact O-CB 3.47Å; Q158-A162 PolarHBondContact O-N 3.44Å; R159-A162 PolarHBondContact O-N 3.06Å; Q160-A162 VanDerWaalsContact C-N 3.3Å; Q160-A162 PolarHBondContact O-N 3.42Å; A162-F165 PolarHBondContact O-N 3.27Å; A162-I166 VanDerWaalsContact O-CG1 3.3Å; A162-I166 WeakPolarHBondContact O-CG1 3.19Å; A162-I166 PolarHBondContact O-N 3.27Å |
| 163 | E | 91.9 | Very high | 86.6 | Confident | 91 Ų | 91 | 97.8 Ų | 97.8 | 43% | 0.425 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 174.6 | -74.7 | 177 | -165.3 | 0 | 0 | 111.1 | R159 Q160 F165 I166 Q167 | R159-E163 WeakPolarHBondContact CG-OE1 3.43Å; R159-E163 IonicContact NE-OE1 3.03Å; R159-E163 WeakPolarHBondContact O-CB 3.23Å; R159-E163 WeakPolarHBondContact O-CG 3.43Å; R159-E163 PolarHBondContact O-N 2.7Å; Q160-E163 PolarHBondContact O-N 2.84Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-F165 PolarHBondContact O-N 3.27Å; E163-I166 PolarHBondContact O-N 3.1Å; E163-Q167 VanDerWaalsContact O-CB 3.25Å; E163-Q167 WeakPolarHBondContact O-CB 3.4Å; E163-Q167 PolarHBondContact O-N 3.32Å |
| 164 | D | 93.7 | Very high | 87.7 | Confident | 81 Ų | 81 | 99.2 Ų | 99.2 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.3 | -38.1 | 177.5 | -67.6 | -13.3 | 0 | 0 | 0 | 111.5 | Q160 Q167 S168 | Q160-D164 PolarHBondContact NE2-OD1 3.37Å; Q160-D164 WeakPolarHBondContact O-CB 3.21Å; Q160-D164 PolarHBondContact O-N 2.89Å; D164-Q167 PolarHBondContact O-N 3.33Å; D164-S168 WeakPolarHBondContact O-CB 3.28Å; D164-S168 PolarHBondContact O-N 3.06Å; D164-S168 PolarHBondContact O-OG 2.93Å |
| 165 | F | 94.8 | Very high | 88.9 | Confident | 131 Ų | 131 | 93 Ų | 93 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.1 | -48 | 173.7 | 179.2 | -100.1 | 0 | 0 | 0 | 111.5 | A161 A162 E163 Q167 S168 R169 | A161-F165 VanDerWaalsContact O-CB 3.31Å; A161-F165 WeakPolarHBondContact O-CB 3.3Å; A161-F165 PolarHBondContact O-N 2.81Å; A162-F165 PolarHBondContact O-N 3.27Å; E163-F165 VanDerWaalsContact C-N 3.33Å; E163-F165 PolarHBondContact O-N 3.27Å; F165-Q167 VanDerWaalsContact C-N 3.31Å; F165-Q167 PolarHBondContact O-N 3.04Å; F165-S168 PolarHBondContact O-N 3.01Å; F165-S168 PolarHBondContact O-OG 3.46Å; F165-R169 HydrophobicContact CD2-CG 4.24Å; F165-R169 HydrophobicContact CE1-CG 4.27Å; F165-R169 HydrophobicContact CE2-CG 3.95Å; F165-R169 HydrophobicContact CZ-CG 3.97Å; F165-R169 WeakPolarHBondContact O-CB 3.23Å; F165-R169 VanDerWaalsContact O-CG 3.23Å; F165-R169 WeakPolarHBondContact O-CG 3.19Å; F165-R169 PolarHBondContact O-N 3.32Å |
| 166 | I | 92.4 | Very high | 89.9 | Confident | 84 Ų | 84 | 97.2 Ų | 97.2 | 43% | 0.431 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 176.4 | -68.7 | 168.5 | 0 | 0 | 0 | 110.2 | A162 E163 R169 L170 Y171 | A162-I166 VanDerWaalsContact O-CG1 3.3Å; A162-I166 WeakPolarHBondContact O-CG1 3.19Å; A162-I166 PolarHBondContact O-N 3.27Å; E163-I166 PolarHBondContact O-N 3.1Å; I166-R169 PolarHBondContact O-N 3.2Å; I166-L170 HydrophobicContact CG2-CD1 3.96Å; I166-L170 HydrophobicContact CG2-CG 4.48Å; I166-L170 WeakPolarHBondContact O-CB 3.34Å; I166-L170 PolarHBondContact O-N 2.83Å; I166-Y171 HydrophobicContact CG2-CD2 4.34Å; I166-Y171 HydrophobicContact CG2-CE2 4.02Å |
| 167 | Q | 91.6 | Very high | 90.3 | Very high | 116 Ų | 116 | 103.4 Ų | 103.4 | 54% | 0.542 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.5 | -44.8 | -178.8 | -170.2 | 167.1 | -15.8 | 0 | 0 | 111.4 | E163 D164 F165 Y171 G172 | E163-Q167 VanDerWaalsContact O-CB 3.25Å; E163-Q167 WeakPolarHBondContact O-CB 3.4Å; E163-Q167 PolarHBondContact O-N 3.32Å; D164-Q167 PolarHBondContact O-N 3.33Å; F165-Q167 VanDerWaalsContact C-N 3.31Å; F165-Q167 PolarHBondContact O-N 3.04Å; Q167-Y171 CarbonylContact O-C 3.03Å; Q167-Y171 VanDerWaalsContact O-CA 3.27Å; Q167-Y171 WeakPolarHBondContact O-CA 3.31Å; Q167-Y171 PolarHBondContact O-N 3.1Å; Q167-G172 WeakPolarHBondContact O-CA 3.42Å; Q167-G172 PolarHBondContact O-N 2.96Å |
| 168 | S | 91.9 | Very high | 90.1 | Very high | 77 Ų | 77 | 96.7 Ų | 96.7 | 54% | 0.538 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.7 | -37.6 | 177.9 | 61.2 | 0 | 0 | 0 | 0 | 113.3 | D164 F165 | D164-S168 WeakPolarHBondContact O-CB 3.28Å; D164-S168 PolarHBondContact O-N 3.06Å; D164-S168 PolarHBondContact O-OG 2.93Å; F165-S168 PolarHBondContact O-N 3.01Å; F165-S168 PolarHBondContact O-OG 3.46Å |
| 169 | R | 91.5 | Very high | 90 | Very high | 189 Ų | 189 | 91.7 Ų | 91.7 | 71% | 0.713 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -82.2 | -38.2 | -177.5 | -62.2 | -63.3 | -68 | -174 | -3.9 | 113.6 | F165 I166 | F165-R169 HydrophobicContact CD2-CG 4.24Å; F165-R169 HydrophobicContact CE1-CG 4.27Å; F165-R169 HydrophobicContact CE2-CG 3.95Å; F165-R169 HydrophobicContact CZ-CG 3.97Å; F165-R169 WeakPolarHBondContact O-CB 3.23Å; F165-R169 VanDerWaalsContact O-CG 3.23Å; F165-R169 WeakPolarHBondContact O-CG 3.19Å; F165-R169 PolarHBondContact O-N 3.32Å; I166-R169 PolarHBondContact O-N 3.2Å |
| 170 | L | 91.1 | Very high | 89.8 | Confident | 71 Ų | 71 | 92 Ų | 92 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -104.4 | -34.7 | -174.1 | -61.5 | -175.2 | 0 | 0 | 0 | 113.7 | I166 S175 | I166-L170 HydrophobicContact CG2-CD1 3.96Å; I166-L170 HydrophobicContact CG2-CG 4.48Å; I166-L170 WeakPolarHBondContact O-CB 3.34Å; I166-L170 PolarHBondContact O-N 2.83Å; L170-S175 WeakPolarHBondContact O-CB 3.43Å; L170-S175 PolarHBondContact O-OG 3.48Å |
| 171 | Y | 92.4 | Very high | 89.5 | Confident | 89 Ų | 89 | 94 Ų | 94 | 35% | 0.349 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -123 | 17.2 | -170.3 | -52.5 | -68.1 | 0 | 0 | 0 | 112.7 | I166 Q167 R177 S178 | I166-Y171 HydrophobicContact CG2-CD2 4.34Å; I166-Y171 HydrophobicContact CG2-CE2 4.02Å; Q167-Y171 CarbonylContact O-C 3.03Å; Q167-Y171 VanDerWaalsContact O-CA 3.27Å; Q167-Y171 WeakPolarHBondContact O-CA 3.31Å; Q167-Y171 PolarHBondContact O-N 3.1Å; Y171-R177 HydrophobicContact CD1-CB 3.92Å; Y171-R177 HydrophobicContact CE1-CB 4Å; Y171-S178 WeakPolarHBondContact CE1-O 3.44Å |
| 172 | G | 87.8 | Confident | 89.1 | Confident | 13 Ų | 13 | 96.4 Ų | 96.4 | 13% | 0.134 | 53% | 0.53 | C | S | . | . | S | Bend | trans | -81.5 | 177.9 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q167 G174 S175 | Q167-G172 WeakPolarHBondContact O-CA 3.42Å; Q167-G172 PolarHBondContact O-N 2.96Å; G172-G174 PolarHBondContact O-N 2.87Å; G172-S175 VanDerWaalsContact O-CB 3.27Å; G172-S175 WeakPolarHBondContact O-CB 3.4Å; G172-S175 PolarHBondContact O-N 2.91Å |
| 173 | P | 87.1 | Confident | 88.6 | Confident | 144 Ų | 144 | 99.6 Ų | 99.6 | 94% | 0.935 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | 126.5 | 177.6 | -24 | 33.9 | 0 | 0 | 0 | 111.9 | ||
| 174 | G | 85.5 | Confident | 88 | Confident | 86 Ų | 86 | 102.1 Ų | 102.1 | 89% | 0.887 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 91.8 | -5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G172 | G172-G174 PolarHBondContact O-N 2.87Š|
| 175 | S | 85 | Confident | 87.5 | Confident | 48 Ų | 48 | 99.6 Ų | 99.6 | 34% | 0.336 | 54% | 0.542 | S | S | . | . | trans | -85.1 | 133.4 | 170.1 | -173 | 0 | 0 | 0 | 0 | 111.4 | L170 G172 R177 | L170-S175 WeakPolarHBondContact O-CB 3.43Å; L170-S175 PolarHBondContact O-OG 3.48Å; G172-S175 VanDerWaalsContact O-CB 3.27Å; G172-S175 WeakPolarHBondContact O-CB 3.4Å; G172-S175 PolarHBondContact O-N 2.91Å; S175-R177 PolarHBondContact O-N 2.8Å; S175-R177 PolarHBondContact OG-N 3.05Å | ||
| 176 | C | 82.7 | Confident | 86.3 | Confident | 140 Ų | 140 | 99.5 Ų | 99.5 | 95% | 0.946 | 55% | 0.547 | S | S | * | . | trans | -86.4 | 9 | 171.8 | -60.2 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 177 | R | 88.8 | Confident | 85.6 | Confident | 172 Ų | 172 | 103.4 Ų | 103.4 | 65% | 0.649 | 56% | 0.561 | S | S | * | * | trans | -92.8 | 141.3 | -178.9 | -59.2 | -177.6 | 176.2 | -150.2 | -0.8 | 110.1 | Y171 S175 | Y171-R177 HydrophobicContact CD1-CB 3.92Å; Y171-R177 HydrophobicContact CE1-CB 4Å; S175-R177 PolarHBondContact O-N 2.8Å; S175-R177 PolarHBondContact OG-N 3.05Å | ||
| 178 | S | 85.6 | Confident | 84.7 | Confident | 46 Ų | 46 | 98.9 Ų | 98.9 | 32% | 0.322 | 54% | 0.54 | S | S | . | . | trans | -116.7 | 149.4 | 172.1 | 50.9 | 0 | 0 | 0 | 0 | 110.4 | Y171 M183 | Y171-S178 WeakPolarHBondContact CE1-O 3.44Å; S178-M183 WeakPolarHBondContact OG-CG 3.33Å; S178-M183 PolarHBondContact OG-SD 3.18Å | ||
| 179 | S | 87.4 | Confident | 83.9 | Confident | 44 Ų | 44 | 103.1 Ų | 103.1 | 31% | 0.308 | 55% | 0.549 | S | S | . | . | trans | -71.7 | 149.1 | 175.8 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | N181 E182 M183 | S179-N181 PolarHBondContact O-N 3.48Å; S179-N181 PolarHBondContact OG-N 3.3Å; S179-E182 WeakPolarHBondContact O-CA 3.37Å; S179-E182 WeakPolarHBondContact O-CB 3.35Å; S179-E182 PolarHBondContact O-N 2.98Å; S179-M183 WeakPolarHBondContact O-CG 3.5Å; S179-M183 PolarHBondContact O-N 2.87Å | ||
| 180 | N | 86.3 | Confident | 83 | Confident | 125 Ų | 125 | 99.2 Ų | 99.2 | 67% | 0.668 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -56.1 | -40.3 | 175.1 | -77.9 | -24.8 | 0 | 0 | 0 | 112.2 | E182 M183 L184 | N180-E182 VanDerWaalsContact C-N 3.3Å; N180-E182 PolarHBondContact O-N 2.95Å; N180-M183 PolarHBondContact O-N 2.88Å; N180-L184 VanDerWaalsContact O-CB 3.31Å; N180-L184 WeakPolarHBondContact O-CB 3.46Å; N180-L184 VanDerWaalsContact O-CG 3.3Å; N180-L184 WeakPolarHBondContact O-CG 3.49Å; N180-L184 PolarHBondContact O-N 2.91Å |
| 181 | N | 85.9 | Confident | 82.2 | Confident | 130 Ų | 130 | 101.6 Ų | 101.6 | 70% | 0.695 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.7 | -39.1 | 177.6 | -169.7 | 8 | 0 | 0 | 0 | 110.9 | S179 S185 | S179-N181 PolarHBondContact O-N 3.48Å; S179-N181 PolarHBondContact OG-N 3.3Å; N181-S185 WeakPolarHBondContact O-CA 3.43Å; N181-S185 WeakPolarHBondContact O-CB 3.33Å; N181-S185 PolarHBondContact O-N 3.37Å |
| 182 | E | 84.6 | Confident | 81.4 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -63.2 | -52.6 | 174.7 | -172.4 | -177.3 | -179.7 | 0 | 0 | 110.6 | S179 N180 L184 S185 N188 | S179-E182 WeakPolarHBondContact O-CA 3.37Å; S179-E182 WeakPolarHBondContact O-CB 3.35Å; S179-E182 PolarHBondContact O-N 2.98Å; N180-E182 VanDerWaalsContact C-N 3.3Å; N180-E182 PolarHBondContact O-N 2.95Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.44Å; E182-S185 WeakPolarHBondContact O-CB 3.44Å; E182-S185 PolarHBondContact O-N 3.15Å; E182-S185 PolarHBondContact O-OG 2.65Å; E182-N188 PolarHBondContact O-ND2 3.44Å |
| 183 | M | 82.3 | Confident | 80.8 | Confident | 115 Ų | 115 | 108 Ų | 108 | 57% | 0.567 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -55.7 | -43.1 | 179.3 | -73.6 | -65.1 | -71.9 | 0 | 0 | 113.1 | S178 S179 N180 | S178-M183 WeakPolarHBondContact OG-CG 3.33Å; S178-M183 PolarHBondContact OG-SD 3.18Å; S179-M183 WeakPolarHBondContact O-CG 3.5Å; S179-M183 PolarHBondContact O-N 2.87Å; N180-M183 PolarHBondContact O-N 2.88Å |
| 184 | L | 80.5 | Confident | 80.1 | Confident | 145 Ų | 145 | 106 Ų | 106 | 76% | 0.759 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -91.4 | -2.8 | -176.8 | -59.5 | 177.4 | 0 | 0 | 0 | 113.4 | N180 E182 L186 | N180-L184 VanDerWaalsContact O-CB 3.31Å; N180-L184 WeakPolarHBondContact O-CB 3.46Å; N180-L184 VanDerWaalsContact O-CG 3.3Å; N180-L184 WeakPolarHBondContact O-CG 3.49Å; N180-L184 PolarHBondContact O-N 2.91Å; E182-L184 VanDerWaalsContact C-N 3.3Å; E182-L184 PolarHBondContact O-N 3.44Å; L184-L186 PolarHBondContact O-N 2.86Å |
| 185 | S | 82.4 | Confident | 79.3 | Confident | 27 Ų | 27 | 106 Ų | 106 | 19% | 0.189 | 57% | 0.566 | C | S | . | * | trans | -60.4 | 138.6 | -179.7 | 65.9 | 0 | 0 | 0 | 0 | 111.1 | N181 E182 K187 N188 K189 | N181-S185 WeakPolarHBondContact O-CA 3.43Å; N181-S185 WeakPolarHBondContact O-CB 3.33Å; N181-S185 PolarHBondContact O-N 3.37Å; E182-S185 WeakPolarHBondContact O-CB 3.44Å; E182-S185 PolarHBondContact O-N 3.15Å; E182-S185 PolarHBondContact O-OG 2.65Å; S185-K187 PolarHBondContact O-N 2.87Å; S185-N188 WeakPolarHBondContact O-CA 3.46Å; S185-N188 WeakPolarHBondContact O-CB 3.39Å; S185-N188 PolarHBondContact O-N 3.25Å; S185-N188 PolarHBondContact OG-N 3.3Å; S185-K189 PolarHBondContact O-N 2.98Å | ||
| 186 | L | 70.7 | Confident | 78.6 | Confident | 129 Ų | 129 | 106.9 Ų | 106.9 | 68% | 0.675 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -57.3 | -32.6 | 174.9 | -71.4 | 176 | 0 | 0 | 0 | 111.9 | L184 N188 K189 T190 | L184-L186 PolarHBondContact O-N 2.86Å; L186-N188 PolarHBondContact O-N 3.4Å; L186-K189 HydrophobicContact CD2-CD 4.43Å; L186-K189 WeakPolarHBondContact O-CA 3.33Å; L186-K189 WeakPolarHBondContact O-CB 3.48Å; L186-K189 PolarHBondContact O-N 2.95Å; L186-T190 PolarHBondContact O-N 3.27Å; L186-T190 PolarHBondContact O-OG1 3.39Å |
| 187 | K | 75.7 | Confident | 77.8 | Confident | 167 Ų | 167 | 105.5 Ų | 105.5 | 73% | 0.726 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -53.9 | -43.8 | 172 | -68.2 | -178.1 | -179 | 176.7 | 0 | 110.7 | S185 K189 R191 | S185-K187 PolarHBondContact O-N 2.87Å; K187-K189 VanDerWaalsContact C-N 3.28Å; K187-K189 PolarHBondContact O-N 3.44Å; K187-R191 WeakPolarHBondContact O-CG 3.33Å; K187-R191 PolarHBondContact O-N 3.19Å |
| 188 | N | 72.6 | Confident | 76.7 | Confident | 21 Ų | 21 | 101.6 Ų | 101.6 | 11% | 0.112 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -74.5 | -11.2 | 174.7 | -79.4 | -5.7 | 0 | 0 | 0 | 114.1 | E182 S185 L186 R191 K194 | E182-N188 PolarHBondContact O-ND2 3.44Å; S185-N188 WeakPolarHBondContact O-CA 3.46Å; S185-N188 WeakPolarHBondContact O-CB 3.39Å; S185-N188 PolarHBondContact O-N 3.25Å; S185-N188 PolarHBondContact OG-N 3.3Å; L186-N188 PolarHBondContact O-N 3.4Å; N188-R191 PolarHBondContact OD1-NE 3.11Å; N188-R191 PolarHBondContact OD1-NH2 3.07Å; N188-K194 WeakPolarHBondContact O-CD 3.24Å; N188-K194 WeakPolarHBondContact O-CE 3.41Å; N188-K194 PolarHBondContact O-NZ 2.94Å |
| 189 | K | 75.1 | Confident | 76.1 | Confident | 165 Ų | 165 | 104.2 Ų | 104.2 | 72% | 0.717 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -91.3 | -32.8 | 174.6 | -171.9 | 176.2 | 177.5 | 179.5 | 0 | 112.7 | S185 L186 K187 | S185-K189 PolarHBondContact O-N 2.98Å; L186-K189 HydrophobicContact CD2-CD 4.43Å; L186-K189 WeakPolarHBondContact O-CA 3.33Å; L186-K189 WeakPolarHBondContact O-CB 3.48Å; L186-K189 PolarHBondContact O-N 2.95Å; K187-K189 VanDerWaalsContact C-N 3.28Å; K187-K189 PolarHBondContact O-N 3.44Å |
| 190 | T | 73.5 | Confident | 75.6 | Confident | 107 Ų | 107 | 111.2 Ų | 111.2 | 66% | 0.656 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -107.3 | 7.4 | -170.5 | 59.2 | 0 | 0 | 0 | 0 | 114.4 | L186 A192 | L186-T190 PolarHBondContact O-N 3.27Å; L186-T190 PolarHBondContact O-OG1 3.39Å; T190-A192 PolarHBondContact O-N 3.1Å |
| 191 | R | 74.6 | Confident | 75.1 | Confident | 122 Ų | 122 | 110.6 Ų | 110.6 | 46% | 0.46 | 60% | 0.603 | S | S | . | * | trans | -60.9 | 140 | 178.1 | -53.8 | -163 | -178.8 | -173.4 | -4 | 110.8 | K187 N188 D193 K194 | K187-R191 WeakPolarHBondContact O-CG 3.33Å; K187-R191 PolarHBondContact O-N 3.19Å; N188-R191 PolarHBondContact OD1-NE 3.11Å; N188-R191 PolarHBondContact OD1-NH2 3.07Å; R191-D193 WeakPolarHBondContact CB-OD1 3.41Å; R191-D193 PolarHBondContact O-N 2.87Å; R191-K194 HydrophobicContact CB-CD 4.3Å; R191-K194 HydrophobicContact CB-CG 4.27Å; R191-K194 PolarHBondContact O-N 3.08Å | ||
| 192 | A | 75.1 | Confident | 74.8 | Confident | 115 Ų | 115 | 112 Ų | 112 | 95% | 0.95 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.7 | -21.5 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T190 K194 | T190-A192 PolarHBondContact O-N 3.1Å; A192-K194 VanDerWaalsContact C-N 3.33Å |
| 193 | D | 75.3 | Confident | 74.6 | Confident | 121 Ų | 121 | 115.1 Ų | 115.1 | 65% | 0.647 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -14.7 | 174.6 | 59.1 | -21.6 | 0 | 0 | 0 | 113.1 | R191 S195 | R191-D193 WeakPolarHBondContact CB-OD1 3.41Å; R191-D193 PolarHBondContact O-N 2.87Å; D193-S195 PolarHBondContact O-N 3.21Å |
| 194 | K | 73 | Confident | 74.5 | Confident | 102 Ų | 102 | 114.8 Ų | 114.8 | 44% | 0.443 | 62% | 0.616 | S | S | . | * | trans | -92.1 | 99.4 | -179.2 | -64.6 | -177 | -175.2 | -157.1 | 0 | 110.5 | N188 R191 A192 | N188-K194 WeakPolarHBondContact O-CD 3.24Å; N188-K194 WeakPolarHBondContact O-CE 3.41Å; N188-K194 PolarHBondContact O-NZ 2.94Å; R191-K194 HydrophobicContact CB-CD 4.3Å; R191-K194 HydrophobicContact CB-CG 4.27Å; R191-K194 PolarHBondContact O-N 3.08Å; A192-K194 VanDerWaalsContact C-N 3.33Å | ||
| 195 | S | 67.9 | Low | 74.5 | Confident | 85 Ų | 85 | 115.6 Ų | 115.6 | 59% | 0.594 | 61% | 0.609 | S | S | * | * | trans | -80.2 | 157.9 | 170.4 | 86.6 | 0 | 0 | 0 | 0 | 111.3 | D193 A197 Q199 | D193-S195 PolarHBondContact O-N 3.21Å; S195-A197 PolarHBondContact O-N 3.38Å; S195-Q199 PolarHBondContact OG-NE2 3.3Å | ||
| 196 | A | 70.6 | Confident | 74.6 | Confident | 67 Ų | 67 | 116.8 Ų | 116.8 | 55% | 0.554 | 62% | 0.62 | S | S | * | * | trans | -52 | 135.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | V198 | A196-V198 PolarHBondContact O-N 3.43Å; A196-V198 VanDerWaalsContact O-N 3.1Å | ||
| 197 | A | 66.7 | Low | 75.3 | Confident | 111 Ų | 111 | 114.3 Ų | 114.3 | 92% | 0.917 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -57.5 | -27.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | S195 | S195-A197 PolarHBondContact O-N 3.38Š|
| 198 | V | 65.8 | Low | 75.8 | Confident | 91 Ų | 91 | 112.7 Ų | 112.7 | 55% | 0.552 | 61% | 0.606 | S | S | * | * | trans | -131.3 | 112.3 | 173.6 | 180 | 0 | 0 | 0 | 0 | 107.9 | A196 F200 | A196-V198 PolarHBondContact O-N 3.43Å; A196-V198 VanDerWaalsContact O-N 3.1Å; V198-F200 HydrophobicContact CB-CE2 4.36Å; V198-F200 HydrophobicContact CG1-CD1 4.27Å; V198-F200 HydrophobicContact CG1-CD2 4.12Å; V198-F200 HydrophobicContact CG1-CE1 4.01Å; V198-F200 HydrophobicContact CG1-CE2 3.85Å; V198-F200 HydrophobicContact CG1-CG 4.32Å; V198-F200 HydrophobicContact CG1-CZ 3.8Å | ||
| 199 | Q | 72.3 | Confident | 76.7 | Confident | 100 Ų | 100 | 115.1 Ų | 115.1 | 47% | 0.467 | 62% | 0.617 | S | S | . | * | trans | -94.3 | 99.7 | 168.9 | -63.7 | -174 | 8.1 | 0 | 0 | 108.1 | S195 V201 | S195-Q199 PolarHBondContact OG-NE2 3.3Å; Q199-V201 PolarHBondContact O-N 3.14Å | ||
| 200 | F | 77.8 | Confident | 77.4 | Confident | 192 Ų | 192 | 114.3 Ų | 114.3 | 84% | 0.842 | 61% | 0.614 | S | S | * | * | S | Bend | trans | -62.2 | -23.1 | 177.4 | -69.6 | -81.9 | 0 | 0 | 0 | 112.9 | V198 | V198-F200 HydrophobicContact CB-CE2 4.36Å; V198-F200 HydrophobicContact CG1-CD1 4.27Å; V198-F200 HydrophobicContact CG1-CD2 4.12Å; V198-F200 HydrophobicContact CG1-CE1 4.01Å; V198-F200 HydrophobicContact CG1-CE2 3.85Å; V198-F200 HydrophobicContact CG1-CG 4.32Å; V198-F200 HydrophobicContact CG1-CZ 3.8Å |
| 201 | V | 75.7 | Confident | 78.4 | Confident | 111 Ų | 111 | 111.4 Ų | 111.4 | 67% | 0.673 | 60% | 0.6 | S | S | * | * | S | Bend | trans | -129.1 | 118.2 | 179.1 | -178.4 | 0 | 0 | 0 | 0 | 108.6 | Q199 K203 | Q199-V201 PolarHBondContact O-N 3.14Å; V201-K203 PolarHBondContact O-N 2.91Å |
| 202 | K | 78.3 | Confident | 79.3 | Confident | 161 Ų | 161 | 110.7 Ų | 110.7 | 70% | 0.7 | 60% | 0.6 | S | S | * | * | trans | -65.1 | 99.5 | 168.8 | -69.5 | -179.8 | -178.1 | 175.7 | 0 | 107.9 | D204 W205 | K202-D204 PolarHBondContact O-N 3.11Å; K202-D204 VanDerWaalsContact O-N 3.09Å; K202-W205 HydrophobicContact CB-CB 4.04Å; K202-W205 WeakPolarHBondContact O-CB 3.5Å; K202-W205 PolarHBondContact O-N 3.04Å | ||
| 203 | K | 79.8 | Confident | 80.1 | Confident | 164 Ų | 164 | 107.9 Ų | 107.9 | 71% | 0.713 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -54.6 | -31.9 | -178.1 | -68.2 | 180 | 179.8 | 179.3 | 0 | 112.5 | V201 W205 | V201-K203 PolarHBondContact O-N 2.91Å; K203-W205 VanDerWaalsContact C-N 3.31Å; K203-W205 PolarHBondContact O-N 3.46Å |
| 204 | D | 81.6 | Confident | 81 | Confident | 108 Ų | 108 | 107.9 Ų | 107.9 | 58% | 0.578 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -79.1 | -11 | -179.5 | -53.5 | -30.1 | 0 | 0 | 0 | 114 | K202 K208 | K202-D204 PolarHBondContact O-N 3.11Å; K202-D204 VanDerWaalsContact O-N 3.09Å; D204-K208 WeakPolarHBondContact O-CB 3.41Å; D204-K208 VanDerWaalsContact O-CG 3.23Å; D204-K208 WeakPolarHBondContact O-CG 3.43Å; D204-K208 PolarHBondContact O-N 3.06Å |
| 205 | W | 80 | Confident | 82.1 | Confident | 162 Ų | 162 | 109.7 Ų | 109.7 | 61% | 0.614 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.5 | -50 | -179.9 | 175.8 | -103.5 | 0 | 0 | 0 | 111.4 | K202 K203 S207 K208 E209 | K202-W205 HydrophobicContact CB-CB 4.04Å; K202-W205 WeakPolarHBondContact O-CB 3.5Å; K202-W205 PolarHBondContact O-N 3.04Å; K203-W205 VanDerWaalsContact C-N 3.31Å; K203-W205 PolarHBondContact O-N 3.46Å; W205-S207 VanDerWaalsContact C-N 3.33Å; W205-S207 PolarHBondContact O-N 3.07Å; W205-K208 PolarHBondContact O-N 3.48Å; W205-E209 PolarHBondContact O-N 3.29Å |
| 206 | A | 84.5 | Confident | 83.2 | Confident | 52 Ų | 52 | 112.1 Ų | 112.1 | 43% | 0.43 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.2 | -40.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112 | E209 K210 | A206-E209 PolarHBondContact O-N 2.87Å; A206-K210 WeakPolarHBondContact O-CB 3.37Å; A206-K210 VanDerWaalsContact O-CG 3.25Å; A206-K210 WeakPolarHBondContact O-CG 3.4Å; A206-K210 PolarHBondContact O-N 2.72Å |
| 207 | S | 85.8 | Confident | 84.3 | Confident | 77 Ų | 77 | 115.7 Ų | 115.7 | 54% | 0.538 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -66.3 | -40.2 | 178 | -58.4 | 0 | 0 | 0 | 0 | 112.3 | W205 A211 | W205-S207 VanDerWaalsContact C-N 3.33Å; W205-S207 PolarHBondContact O-N 3.07Å; S207-A211 WeakPolarHBondContact O-CB 3.36Å; S207-A211 PolarHBondContact O-N 3.28Å |
| 208 | K | 86.9 | Confident | 85.5 | Confident | 132 Ų | 132 | 119.3 Ų | 119.3 | 57% | 0.574 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -64.6 | -44.2 | 176.2 | -74.9 | 171.2 | -177 | 177.8 | 0 | 111.8 | D204 W205 A211 K212 | D204-K208 WeakPolarHBondContact O-CB 3.41Å; D204-K208 VanDerWaalsContact O-CG 3.23Å; D204-K208 WeakPolarHBondContact O-CG 3.43Å; D204-K208 PolarHBondContact O-N 3.06Å; W205-K208 PolarHBondContact O-N 3.48Å; K208-A211 PolarHBondContact O-N 3.09Å; K208-K212 WeakPolarHBondContact O-CG 3.28Å; K208-K212 PolarHBondContact O-N 2.73Å |
| 209 | E | 90.6 | Very high | 86.8 | Confident | 73 Ų | 73 | 124.1 Ų | 124.1 | 34% | 0.341 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.9 | -37.3 | -178.6 | -127.3 | 55.8 | -161.3 | 0 | 0 | 112.1 | W205 A206 K212 A213 | W205-E209 PolarHBondContact O-N 3.29Å; A206-E209 PolarHBondContact O-N 2.87Å; E209-K212 VanDerWaalsContact CD-NZ 3.32Å; E209-K212 PolarHBondContact O-N 3.36Å; E209-K212 IonicContact OE1-NZ 2.99Å; E209-K212 PolarHBondContact OE1-NZ 3.35Å; E209-K212 IonicContact OE2-NZ 2.81Å; E209-K212 PolarHBondContact OE2-NZ 3.36Å; E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 2.98Å |
| 210 | K | 89.9 | Confident | 87.7 | Confident | 148 Ų | 148 | 127 Ų | 127 | 64% | 0.643 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -59.4 | -46.3 | 170.3 | -76.9 | 179 | 178.7 | -175.7 | 0 | 112 | A206 K212 A213 E214 | A206-K210 WeakPolarHBondContact O-CB 3.37Å; A206-K210 VanDerWaalsContact O-CG 3.25Å; A206-K210 WeakPolarHBondContact O-CG 3.4Å; A206-K210 PolarHBondContact O-N 2.72Å; K210-K212 VanDerWaalsContact C-N 3.33Å; K210-K212 PolarHBondContact O-N 3.05Å; K210-A213 PolarHBondContact O-N 2.91Å; K210-E214 PolarHBondContact O-N 3.48Å |
| 211 | A | 93.3 | Very high | 88.2 | Confident | 45 Ų | 45 | 122.3 Ų | 122.3 | 37% | 0.372 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -37 | 178 | 0 | 0 | 0 | 0 | 0 | 112.6 | S207 K208 K215 | S207-A211 WeakPolarHBondContact O-CB 3.36Å; S207-A211 PolarHBondContact O-N 3.28Å; K208-A211 PolarHBondContact O-N 3.09Å; A211-K215 WeakPolarHBondContact O-CG 3.42Å; A211-K215 PolarHBondContact O-N 2.92Å |
| 212 | K | 94.6 | Very high | 88.7 | Confident | 107 Ų | 107 | 123.5 Ų | 123.5 | 47% | 0.465 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -64.8 | -46.7 | 172.8 | -73.5 | 176.5 | -172.2 | 161.5 | 0 | 111.6 | K208 E209 K210 E214 K215 M216 | K208-K212 WeakPolarHBondContact O-CG 3.28Å; K208-K212 PolarHBondContact O-N 2.73Å; E209-K212 VanDerWaalsContact CD-NZ 3.32Å; E209-K212 PolarHBondContact O-N 3.36Å; E209-K212 IonicContact OE1-NZ 2.99Å; E209-K212 PolarHBondContact OE1-NZ 3.35Å; E209-K212 IonicContact OE2-NZ 2.81Å; E209-K212 PolarHBondContact OE2-NZ 3.36Å; K210-K212 VanDerWaalsContact C-N 3.33Å; K210-K212 PolarHBondContact O-N 3.05Å; K212-E214 VanDerWaalsContact C-N 3.34Å; K212-E214 PolarHBondContact O-N 3.48Å; K212-K215 PolarHBondContact O-N 3.19Å; K212-M216 WeakPolarHBondContact O-CG 3.43Å; K212-M216 PolarHBondContact O-N 3.32Å |
| 213 | A | 92.7 | Very high | 89.1 | Confident | 56 Ų | 56 | 124.2 Ų | 124.2 | 46% | 0.463 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -60 | -43.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E209 K210 M216 K217 | E209-A213 WeakPolarHBondContact O-CB 3.41Å; E209-A213 PolarHBondContact O-N 2.98Å; K210-A213 PolarHBondContact O-N 2.91Å; A213-M216 PolarHBondContact O-N 3.37Å; A213-K217 WeakPolarHBondContact O-CB 3.42Å; A213-K217 PolarHBondContact O-N 2.99Å |
| 214 | E | 93.6 | Very high | 89 | Confident | 121 Ų | 121 | 121 Ų | 121 | 57% | 0.565 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -62.7 | -43 | 174.6 | -76.2 | -174.2 | 178.3 | 0 | 0 | 112.7 | K210 K212 M216 K217 R218 | K210-E214 PolarHBondContact O-N 3.48Å; K212-E214 VanDerWaalsContact C-N 3.34Å; K212-E214 PolarHBondContact O-N 3.48Å; E214-M216 VanDerWaalsContact C-N 3.33Å; E214-M216 PolarHBondContact O-N 3.17Å; E214-K217 PolarHBondContact O-N 2.69Å; E214-R218 WeakPolarHBondContact O-CG 3.45Å; E214-R218 PolarHBondContact O-N 3.12Å |
| 215 | K | 95.5 | Very high | 88.3 | Confident | 140 Ų | 140 | 122.8 Ų | 122.8 | 61% | 0.609 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -60.9 | -42.3 | 174.5 | -77.3 | 177.1 | -178 | 179.9 | 0 | 111.5 | A211 K212 R218 R219 | A211-K215 WeakPolarHBondContact O-CG 3.42Å; A211-K215 PolarHBondContact O-N 2.92Å; K212-K215 PolarHBondContact O-N 3.19Å; K215-R218 PolarHBondContact O-N 3.07Å; K215-R219 WeakPolarHBondContact O-CB 3.27Å; K215-R219 VanDerWaalsContact O-CG 3.28Å; K215-R219 WeakPolarHBondContact O-CG 3.35Å; K215-R219 PolarHBondContact O-N 3.28Å |
| 216 | M | 92.3 | Very high | 87.4 | Confident | 136 Ų | 136 | 121.7 Ų | 121.7 | 67% | 0.67 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -65.1 | -43.1 | 176 | -70 | -143.8 | -67.1 | 0 | 0 | 111.7 | K212 A213 E214 R218 R219 W220 | K212-M216 WeakPolarHBondContact O-CG 3.43Å; K212-M216 PolarHBondContact O-N 3.32Å; A213-M216 PolarHBondContact O-N 3.37Å; E214-M216 VanDerWaalsContact C-N 3.33Å; E214-M216 PolarHBondContact O-N 3.17Å; M216-R218 PolarHBondContact O-N 3.02Å; M216-R219 PolarHBondContact O-N 3.17Å; M216-W220 VanDerWaalsContact O-CB 3.29Å; M216-W220 WeakPolarHBondContact O-CB 3.35Å; M216-W220 PolarHBondContact O-N 3.01Å |
| 217 | K | 92.9 | Very high | 86 | Confident | 142 Ų | 142 | 124.1 Ų | 124.1 | 62% | 0.617 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.8 | -47.3 | 174.8 | -176.8 | 176.7 | -179.9 | 177.7 | 0 | 111.6 | A213 E214 W220 I221 | A213-K217 WeakPolarHBondContact O-CB 3.42Å; A213-K217 PolarHBondContact O-N 2.99Å; E214-K217 PolarHBondContact O-N 2.69Å; K217-W220 PolarHBondContact O-N 3.1Å; K217-I221 HydrophobicContact CG-CD1 3.93Å; K217-I221 VanDerWaalsContact O-CG1 3.26Å; K217-I221 WeakPolarHBondContact O-CG1 3.42Å; K217-I221 PolarHBondContact O-N 3.33Å |
| 218 | R | 92.4 | Very high | 84.7 | Confident | 187 Ų | 187 | 127 Ų | 127 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -61 | -44.8 | 176.3 | -71.7 | -176.1 | -175.2 | -152.2 | 2.8 | 112.2 | E214 K215 M216 W220 I221 H222 | E214-R218 WeakPolarHBondContact O-CG 3.45Å; E214-R218 PolarHBondContact O-N 3.12Å; K215-R218 PolarHBondContact O-N 3.07Å; M216-R218 PolarHBondContact O-N 3.02Å; R218-W220 VanDerWaalsContact C-N 3.34Å; R218-I221 PolarHBondContact O-N 2.7Å; R218-H222 WeakPolarHBondContact O-CB 3.47Å; R218-H222 PolarHBondContact O-N 2.85Å |
| 219 | R | 92.6 | Very high | 82.5 | Confident | 192 Ų | 192 | 129.2 Ų | 129.2 | 73% | 0.725 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -63.5 | -40.1 | 176.5 | -75.5 | 177.5 | 177.9 | -134.9 | -1.7 | 112.2 | K215 M216 K223 | K215-R219 WeakPolarHBondContact O-CB 3.27Å; K215-R219 VanDerWaalsContact O-CG 3.28Å; K215-R219 WeakPolarHBondContact O-CG 3.35Å; K215-R219 PolarHBondContact O-N 3.28Å; M216-R219 PolarHBondContact O-N 3.17Å; R219-K223 VanDerWaalsContact O-CB 3.29Å; R219-K223 WeakPolarHBondContact O-CB 3.47Å; R219-K223 PolarHBondContact O-N 3.22Å |
| 220 | W | 91.2 | Very high | 82.1 | Confident | 161 Ų | 161 | 132.1 Ų | 132.1 | 61% | 0.61 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -65 | -49.5 | 177 | -178.8 | 81.4 | 0 | 0 | 0 | 110.7 | M216 K217 R218 H222 K223 Q224 | M216-W220 VanDerWaalsContact O-CB 3.29Å; M216-W220 WeakPolarHBondContact O-CB 3.35Å; M216-W220 PolarHBondContact O-N 3.01Å; K217-W220 PolarHBondContact O-N 3.1Å; R218-W220 VanDerWaalsContact C-N 3.34Å; W220-H222 VanDerWaalsContact C-N 3.33Å; W220-H222 PolarHBondContact O-N 3.35Å; W220-K223 CarbonylContact O-C 3.56Å; W220-K223 PolarHBondContact O-N 3.12Å; W220-Q224 HydrophobicContact CD2-CG 3.91Å; W220-Q224 HydrophobicContact CE3-CG 4.3Å; W220-Q224 HydrophobicContact CG-CG 4.39Å; W220-Q224 HydrophobicContact CH2-CG 4.26Å; W220-Q224 HydrophobicContact CZ2-CG 3.86Å; W220-Q224 HydrophobicContact CZ3-CG 4.46Å; W220-Q224 WeakPolarHBondContact O-CB 3.34Å; W220-Q224 VanDerWaalsContact O-CG 3.26Å; W220-Q224 WeakPolarHBondContact O-CG 3.35Å; W220-Q224 PolarHBondContact O-N 3.46Å |
| 221 | I | 88.6 | Confident | 81.7 | Confident | 93 Ų | 93 | 131.2 Ų | 131.2 | 48% | 0.477 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -56.8 | -46 | 175.3 | -66.7 | 165 | 0 | 0 | 0 | 111.2 | K217 R218 K223 Q224 Q225 | K217-I221 HydrophobicContact CG-CD1 3.93Å; K217-I221 VanDerWaalsContact O-CG1 3.26Å; K217-I221 WeakPolarHBondContact O-CG1 3.42Å; K217-I221 PolarHBondContact O-N 3.33Å; R218-I221 PolarHBondContact O-N 2.7Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 3.48Å; I221-Q224 PolarHBondContact O-N 2.88Å; I221-Q225 PolarHBondContact O-N 3.15Å |
| 222 | H | 85.8 | Confident | 81.1 | Confident | 136 Ų | 136 | 136 Ų | 136 | 63% | 0.63 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -62.4 | -37.5 | 176.7 | -179.3 | -79.4 | 0 | 0 | 0 | 112.4 | R218 W220 Q224 Q225 | R218-H222 WeakPolarHBondContact O-CB 3.47Å; R218-H222 PolarHBondContact O-N 2.85Å; W220-H222 VanDerWaalsContact C-N 3.33Å; W220-H222 PolarHBondContact O-N 3.35Å; H222-Q224 VanDerWaalsContact C-N 3.34Å; H222-Q225 WeakPolarHBondContact O-CG 3.45Å |
| 223 | K | 85.6 | Confident | 80.3 | Confident | 176 Ų | 176 | 137.7 Ų | 137.7 | 77% | 0.765 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -72.7 | -29.2 | 176.5 | -170.9 | 177 | -179.5 | -174.1 | 0 | 112.1 | R219 W220 I221 Q225 | R219-K223 VanDerWaalsContact O-CB 3.29Å; R219-K223 WeakPolarHBondContact O-CB 3.47Å; R219-K223 PolarHBondContact O-N 3.22Å; W220-K223 CarbonylContact O-C 3.56Å; W220-K223 PolarHBondContact O-N 3.12Å; I221-K223 VanDerWaalsContact C-N 3.31Å; I221-K223 PolarHBondContact O-N 3.48Å; K223-Q225 PolarHBondContact O-N 2.92Å |
| 224 | Q | 79.1 | Confident | 79.5 | Confident | 97 Ų | 97 | 142.8 Ų | 142.8 | 45% | 0.453 | 69% | 0.686 | S | S | . | * | H | α-helix | trans | -74.2 | -13.7 | 178.5 | -72.1 | -59.9 | -36.6 | 0 | 0 | 113 | W220 I221 H222 I226 | W220-Q224 HydrophobicContact CD2-CG 3.91Å; W220-Q224 HydrophobicContact CE3-CG 4.3Å; W220-Q224 HydrophobicContact CG-CG 4.39Å; W220-Q224 HydrophobicContact CH2-CG 4.26Å; W220-Q224 HydrophobicContact CZ2-CG 3.86Å; W220-Q224 HydrophobicContact CZ3-CG 4.46Å; W220-Q224 WeakPolarHBondContact O-CB 3.34Å; W220-Q224 VanDerWaalsContact O-CG 3.26Å; W220-Q224 WeakPolarHBondContact O-CG 3.35Å; W220-Q224 PolarHBondContact O-N 3.46Å; I221-Q224 PolarHBondContact O-N 2.88Å; H222-Q224 VanDerWaalsContact C-N 3.34Å; Q224-I226 PolarHBondContact O-N 3.01Å |
| 225 | Q | 67.3 | Low | 78.6 | Confident | 146 Ų | 146 | 144.3 Ų | 144.3 | 68% | 0.682 | 70% | 0.695 | S | S | * | * | trans | 13.5 | 66.5 | -176.5 | -69.3 | -159.5 | 8.9 | 0 | 0 | 112 | I221 H222 K223 P227 | I221-Q225 PolarHBondContact O-N 3.15Å; H222-Q225 WeakPolarHBondContact O-CG 3.45Å; K223-Q225 PolarHBondContact O-N 2.92Å; Q225-P227 VanDerWaalsContact O-CD 3.29Å; Q225-P227 WeakPolarHBondContact O-CD 3.48Å | ||
| 226 | I | 61.4 | Low | 77.4 | Confident | 138 Ų | 138 | 144.6 Ų | 144.6 | 71% | 0.708 | 70% | 0.701 | S | S | * | * | trans | -67.4 | 118.2 | 165.4 | -61 | 170.8 | 0 | 0 | 0 | 102.6 | Q224 T228 | Q224-I226 PolarHBondContact O-N 3.01Å; I226-T228 PolarHBondContact O-N 3.42Å | ||
| 227 | P | 54.3 | Low | 76.2 | Confident | 104 Ų | 104 | 145.2 Ų | 145.2 | 68% | 0.675 | 70% | 0.703 | S | S | * | * | trans | -55.5 | 116.2 | 176.2 | -18.6 | 30.3 | 0 | 0 | 0 | 107 | Q225 S229 | Q225-P227 VanDerWaalsContact O-CD 3.29Å; Q225-P227 WeakPolarHBondContact O-CD 3.48Å; P227-S229 WeakPolarHBondContact CB-O 3.42Å; P227-S229 PolarHBondContact O-N 2.9Å | ||
| 228 | T | 57.4 | Low | 74.8 | Confident | 138 Ų | 138 | 145.5 Ų | 145.5 | 85% | 0.847 | 71% | 0.71 | S | S | * | * | trans | -82.2 | 65.5 | 163.1 | 53.4 | 0 | 0 | 0 | 0 | 107.2 | I226 | I226-T228 PolarHBondContact O-N 3.42Š| ||
| 229 | S | 42.3 | Very low | 73.2 | Confident | 178 Ų | 178 | 141.7 Ų | 141.7 | 100% | 1.245 | 71% | 0.711 | S | S | * | * | trans | 171.7 | 0 | 160.2 | -75.2 | 0 | 0 | 0 | 0 | 108.1 | P227 | P227-S229 WeakPolarHBondContact CB-O 3.42Å; P227-S229 PolarHBondContact O-N 2.9Å |
Retrieved 229 of 229 residues in 33.6 ms
(Link to these results)