| 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 | 43 | Very low | 51.9 | Low | 247 Ų | 247 | 148.5 Ų | 148.5 | 100% | 1.217 | 84% | 0.836 | S | S | * | * | 0 | 142.1 | 0 | -76.3 | 157.8 | 71.7 | 0 | 0 | 108.8 | |||||
| 2 | M | 42.3 | Very low | 52.7 | Low | 190 Ų | 190 | 150.3 Ų | 150.3 | 94% | 0.936 | 84% | 0.839 | S | S | * | * | trans | -69.8 | 167.7 | -173.3 | -113 | -164.2 | 154.9 | 0 | 0 | 113.8 | ||||
| 3 | P | 59 | Low | 52.7 | Low | 105 Ų | 105 | 147 Ų | 147 | 68% | 0.682 | 83% | 0.829 | S | S | * | * | trans | -93.6 | 166.6 | -155.5 | 38.3 | -37.8 | 0 | 0 | 0 | 116 | ||||
| 4 | S | 57.9 | Low | 52.9 | Low | 112 Ų | 112 | 143.4 Ų | 143.4 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | 51.3 | 120.4 | 147.6 | -66.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 5 | R | 51.5 | Low | 53.2 | Low | 246 Ų | 246 | 139.1 Ų | 139.1 | 93% | 0.928 | 80% | 0.8 | S | S | * | * | trans | -137.4 | 104.8 | 142.7 | -70.9 | -159.7 | 162.8 | -151.1 | -6.3 | 111.5 | ||||
| 6 | T | 52 | Low | 53.4 | Low | 118 Ų | 118 | 142.5 Ų | 142.5 | 72% | 0.724 | 80% | 0.803 | S | S | * | * | trans | -44 | 130.5 | 156 | 45.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 7 | N | 51.3 | Low | 53.9 | Low | 173 Ų | 173 | 138.5 Ų | 138.5 | 93% | 0.925 | 78% | 0.782 | S | S | * | * | trans | -86.7 | 134.4 | 156.2 | -95.6 | -65.9 | 0 | 0 | 0 | 109.4 | ||||
| 8 | L | 55 | Low | 54.3 | Low | 149 Ų | 149 | 140.7 Ų | 140.7 | 78% | 0.78 | 78% | 0.782 | S | S | * | * | trans | -88.9 | 149.7 | -158.3 | -141.7 | 67.8 | 0 | 0 | 0 | 110.9 | ||||
| 9 | A | 52.5 | Low | 54.5 | Low | 83 Ų | 83 | 143.2 Ų | 143.2 | 69% | 0.686 | 78% | 0.779 | S | S | * | * | trans | 73 | 92.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 10 | T | 55.3 | Low | 55 | Low | 150 Ų | 150 | 141.3 Ų | 141.3 | 92% | 0.92 | 78% | 0.777 | S | S | * | * | S | Bend | -147.4 | 104.6 | 120.8 | -55.4 | 0 | 0 | 0 | 0 | 108.8 | |||
| 11 | G | 51.2 | Low | 55.4 | Low | 60 Ų | 60 | 145.3 Ų | 145.3 | 62% | 0.619 | 78% | 0.78 | S | S | * | * | trans | 65.2 | 87.9 | 152.1 | 0 | 0 | 0 | 0 | 0 | 117.6 | P13 | G11-P13 WeakPolarHBondContact O-CD 3.34Š| ||
| 12 | I | 61.2 | Low | 56.2 | Low | 170 Ų | 170 | 141 Ų | 141 | 87% | 0.872 | 76% | 0.761 | S | S | * | * | trans | -92.1 | 113.2 | 138.3 | -56.8 | -74.9 | 0 | 0 | 0 | 106.1 | ||||
| 13 | P | 52.6 | Low | 57 | Low | 108 Ų | 108 | 135.7 Ų | 135.7 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | -106.9 | 124.1 | 141 | 31.4 | -23.2 | 0 | 0 | 0 | 108.2 | G11 | G11-P13 WeakPolarHBondContact O-CD 3.34Š| ||
| 14 | S | 55.5 | Low | 56.8 | Low | 96 Ų | 96 | 135.3 Ų | 135.3 | 67% | 0.671 | 74% | 0.743 | S | S | * | * | S | Bend | trans | 65 | 110.6 | 131 | -153.4 | 0 | 0 | 0 | 0 | 117.5 | ||
| 15 | S | 58.3 | Low | 56.6 | Low | 79 Ų | 79 | 135.5 Ų | 135.5 | 55% | 0.552 | 74% | 0.74 | S | S | * | * | trans | 49.1 | 90.4 | 150.4 | 66.5 | 0 | 0 | 0 | 0 | 114.9 | V17 | S15-V17 PolarHBondContact O-N 3.08Š| ||
| 16 | K | 55.7 | Low | 56.7 | Low | 194 Ų | 194 | 129.8 Ų | 129.8 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | -69.1 | 52.3 | 155.6 | -162.3 | 177.4 | -172.1 | 173.8 | 0 | 109.6 | K18 | K16-K18 VanDerWaalsContact C-N 3.27Å; K16-K18 PolarHBondContact O-N 3.03Å | ||
| 17 | V | 62.5 | Low | 56.7 | Low | 74 Ų | 74 | 130.5 Ų | 130.5 | 45% | 0.448 | 73% | 0.727 | S | S | . | * | trans | -68.7 | 100.7 | 160.1 | 176.9 | 0 | 0 | 0 | 0 | 103.8 | S15 Y19 | S15-V17 PolarHBondContact O-N 3.08Å; V17-Y19 HydrophobicContact CB-CD2 4.17Å; V17-Y19 HydrophobicContact CB-CE1 4.33Å; V17-Y19 HydrophobicContact CB-CE2 3.68Å; V17-Y19 HydrophobicContact CG1-CD1 3.67Å; V17-Y19 HydrophobicContact CG1-CD2 3.83Å; V17-Y19 HydrophobicContact CG1-CE1 3.38Å; V17-Y19 HydrophobicContact CG1-CE2 3.56Å; V17-Y19 HydrophobicContact CG1-CG 3.89Å; V17-Y19 WeakPolarHBondContact O-CD2 3.47Å; V17-Y19 PolarHBondContact O-N 2.88Å | ||
| 18 | K | 60.8 | Low | 56.9 | Low | 179 Ų | 179 | 124.3 Ų | 124.3 | 78% | 0.778 | 70% | 0.704 | S | S | * | * | trans | -64.1 | 88.2 | 163.7 | -66.9 | 178.9 | -178.4 | -179.7 | 0 | 105.4 | K16 S20 | K16-K18 VanDerWaalsContact C-N 3.27Å; K16-K18 PolarHBondContact O-N 3.03Å; K18-S20 VanDerWaalsContact C-N 3.33Å; K18-S20 PolarHBondContact O-N 2.97Å | ||
| 19 | Y | 58.1 | Low | 56.8 | Low | 188 Ų | 188 | 124.4 Ų | 124.4 | 74% | 0.737 | 70% | 0.695 | S | S | * | * | trans | -65.1 | 106 | 164.3 | -64.5 | -76.1 | 0 | 0 | 0 | 105.5 | V17 R21 | V17-Y19 HydrophobicContact CB-CD2 4.17Å; V17-Y19 HydrophobicContact CB-CE1 4.33Å; V17-Y19 HydrophobicContact CB-CE2 3.68Å; V17-Y19 HydrophobicContact CG1-CD1 3.67Å; V17-Y19 HydrophobicContact CG1-CD2 3.83Å; V17-Y19 HydrophobicContact CG1-CE1 3.38Å; V17-Y19 HydrophobicContact CG1-CE2 3.56Å; V17-Y19 HydrophobicContact CG1-CG 3.89Å; V17-Y19 WeakPolarHBondContact O-CD2 3.47Å; V17-Y19 PolarHBondContact O-N 2.88Å; Y19-R21 PolarHBondContact O-N 3.01Å | ||
| 20 | S | 64.2 | Low | 57.2 | Low | 104 Ų | 104 | 124.8 Ų | 124.8 | 73% | 0.727 | 69% | 0.685 | S | S | * | * | trans | -54.5 | 114.7 | 154.7 | -171.3 | 0 | 0 | 0 | 0 | 104.4 | K18 L22 | K18-S20 VanDerWaalsContact C-N 3.33Å; K18-S20 PolarHBondContact O-N 2.97Å; S20-L22 VanDerWaalsContact C-N 3.29Å; S20-L22 PolarHBondContact O-N 2.84Å | ||
| 21 | R | 63.5 | Low | 57.2 | Low | 227 Ų | 227 | 123.5 Ų | 123.5 | 86% | 0.857 | 67% | 0.672 | S | S | * | * | trans | -55 | 109.9 | 159.8 | -125 | -176.6 | 162 | 117 | -1.1 | 103.4 | Y19 S23 | Y19-R21 PolarHBondContact O-N 3.01Å; R21-S23 PolarHBondContact O-N 2.76Å; R21-S23 VanDerWaalsContact O-N 3.08Å | ||
| 22 | L | 60.8 | Low | 57.4 | Low | 155 Ų | 155 | 126.6 Ų | 126.6 | 81% | 0.812 | 67% | 0.674 | S | S | * | * | trans | -46.9 | 124.4 | 161.3 | -77.9 | 158.7 | 0 | 0 | 0 | 103.9 | S20 S24 | S20-L22 VanDerWaalsContact C-N 3.29Å; S20-L22 PolarHBondContact O-N 2.84Å; L22-S24 PolarHBondContact O-N 3.03Å | ||
| 23 | S | 57.8 | Low | 57.2 | Low | 80 Ų | 80 | 123.7 Ų | 123.7 | 56% | 0.559 | 66% | 0.657 | S | S | * | * | trans | -39.4 | 131.2 | 179.4 | 48.5 | 0 | 0 | 0 | 0 | 107.6 | R21 T25 D26 | R21-S23 PolarHBondContact O-N 2.76Å; R21-S23 VanDerWaalsContact O-N 3.08Å; S23-T25 CarbonylContact O-C 3.57Å; S23-T25 PolarHBondContact O-N 3.43Å; S23-D26 PolarHBondContact O-N 3.17Å | ||
| 24 | S | 55 | Low | 57.2 | Low | 96 Ų | 96 | 125.4 Ų | 125.4 | 67% | 0.671 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | 32.4 | 167.9 | 53.5 | 0 | 0 | 0 | 0 | 111.7 | L22 D26 | L22-S24 PolarHBondContact O-N 3.03Å; S24-D26 VanDerWaalsContact C-N 3.32Å |
| 25 | T | 54.9 | Low | 57.3 | Low | 117 Ų | 117 | 128.4 Ų | 128.4 | 72% | 0.718 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.6 | 22.8 | 159.2 | -39.3 | 0 | 0 | 0 | 0 | 108.6 | S23 D27 | S23-T25 CarbonylContact O-C 3.57Å; S23-T25 PolarHBondContact O-N 3.43Å; T25-D27 PolarHBondContact O-N 2.7Å |
| 26 | D | 52.6 | Low | 57.3 | Low | 125 Ų | 125 | 133.6 Ų | 133.6 | 67% | 0.668 | 67% | 0.667 | S | S | * | * | trans | -76.8 | 19.2 | 148.2 | -164.7 | 41 | 0 | 0 | 0 | 111.1 | S23 S24 G28 Y29 | S23-D26 PolarHBondContact O-N 3.17Å; S24-D26 VanDerWaalsContact C-N 3.32Å; D26-G28 PolarHBondContact O-N 2.93Å; D26-Y29 PolarHBondContact O-N 3.12Å | ||
| 27 | D | 51.9 | Low | 57.5 | Low | 133 Ų | 133 | 130.4 Ų | 130.4 | 71% | 0.711 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 29 | 160 | -59.6 | -20.8 | 0 | 0 | 0 | 110.8 | T25 | T25-D27 PolarHBondContact O-N 2.7Š|
| 28 | G | 54.8 | Low | 57.8 | Low | 44 Ų | 44 | 132.3 Ų | 132.3 | 45% | 0.454 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -71.8 | -12.9 | 158.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D26 I30 Q33 | D26-G28 PolarHBondContact O-N 2.93Å; G28-I30 VanDerWaalsContact C-N 3.29Å; G28-I30 PolarHBondContact O-N 3.5Å; G28-I30 VanDerWaalsContact O-N 3.12Å; G28-Q33 PolarHBondContact O-NE2 2.92Å |
| 29 | Y | 53.2 | Low | 58.2 | Low | 150 Ų | 150 | 129.3 Ų | 129.3 | 59% | 0.588 | 68% | 0.676 | S | S | * | * | trans | -82.1 | 79.8 | 165.2 | -117.5 | -89.5 | 0 | 0 | 0 | 110.4 | D26 D31 F34 | D26-Y29 PolarHBondContact O-N 3.12Å; Y29-D31 PolarHBondContact O-N 3.01Å; Y29-F34 HydrophobicContact CD1-CE2 4.43Å; Y29-F34 AromaticContact CE1-CE2 3.77Å; Y29-F34 HydrophobicContact CE1-CE2 3.77Å; Y29-F34 HydrophobicContact CE1-CZ 4.04Å | ||
| 30 | I | 61.9 | Low | 59 | Low | 92 Ų | 92 | 129.6 Ų | 129.6 | 47% | 0.472 | 68% | 0.681 | S | S | . | * | trans | -71 | 112.1 | 160.7 | -8 | 167.2 | 0 | 0 | 0 | 105.5 | G28 L32 Q33 | G28-I30 VanDerWaalsContact C-N 3.29Å; G28-I30 PolarHBondContact O-N 3.5Å; G28-I30 VanDerWaalsContact O-N 3.12Å; I30-L32 HydrophobicContact CB-CB 3.93Å; I30-L32 HydrophobicContact CG2-CB 3.56Å; I30-L32 PolarHBondContact O-N 2.77Å; I30-Q33 HydrophobicContact CB-CG 4.07Å; I30-Q33 HydrophobicContact CD1-CG 3.96Å; I30-Q33 HydrophobicContact CG1-CG 3.92Å; I30-Q33 VanDerWaalsContact O-CB 3.23Å; I30-Q33 WeakPolarHBondContact O-CB 3.29Å; I30-Q33 VanDerWaalsContact O-CG 3.29Å; I30-Q33 WeakPolarHBondContact O-CG 3.23Å; I30-Q33 PolarHBondContact O-N 2.94Å | ||
| 31 | D | 55.3 | Low | 59.7 | Low | 123 Ų | 123 | 128.8 Ų | 128.8 | 66% | 0.658 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -58.2 | -9.2 | 163.9 | -73.1 | -27 | 0 | 0 | 0 | 111.9 | Y29 Q33 F34 | Y29-D31 PolarHBondContact O-N 3.01Å; D31-Q33 VanDerWaalsContact C-N 3.26Å; D31-Q33 PolarHBondContact O-N 3.32Å; D31-F34 PolarHBondContact O-N 3.47Å |
| 32 | L | 55.9 | Low | 60.6 | Low | 125 Ų | 125 | 122 Ų | 122 | 65% | 0.654 | 65% | 0.654 | S | S | * | * | G | 310 helix | trans | -66.5 | -19.8 | 165.4 | -126.2 | 66.8 | 0 | 0 | 0 | 113.9 | I30 F34 K35 | I30-L32 HydrophobicContact CB-CB 3.93Å; I30-L32 HydrophobicContact CG2-CB 3.56Å; I30-L32 PolarHBondContact O-N 2.77Å; L32-F34 VanDerWaalsContact C-N 3.25Å; L32-F34 PolarHBondContact O-N 3.1Å; L32-K35 WeakPolarHBondContact O-CB 3.48Å; L32-K35 PolarHBondContact O-N 3.49Å; L32-K35 VanDerWaalsContact O-N 3.1Å |
| 33 | Q | 55.1 | Low | 61.9 | Low | 108 Ų | 108 | 122 Ų | 122 | 51% | 0.505 | 64% | 0.644 | S | S | . | * | G | 310 helix | trans | -70.2 | -22.3 | 171 | -63.1 | 176 | 1.6 | 0 | 0 | 112 | G28 I30 D31 | G28-Q33 PolarHBondContact O-NE2 2.92Å; I30-Q33 HydrophobicContact CB-CG 4.07Å; I30-Q33 HydrophobicContact CD1-CG 3.96Å; I30-Q33 HydrophobicContact CG1-CG 3.92Å; I30-Q33 VanDerWaalsContact O-CB 3.23Å; I30-Q33 WeakPolarHBondContact O-CB 3.29Å; I30-Q33 VanDerWaalsContact O-CG 3.29Å; I30-Q33 WeakPolarHBondContact O-CG 3.23Å; I30-Q33 PolarHBondContact O-N 2.94Å; D31-Q33 VanDerWaalsContact C-N 3.26Å; D31-Q33 PolarHBondContact O-N 3.32Å |
| 34 | F | 53.8 | Low | 63.4 | Low | 145 Ų | 145 | 127 Ų | 127 | 64% | 0.636 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -81.6 | -0.1 | 169.1 | -68.5 | -65.4 | 0 | 0 | 0 | 113.5 | Y29 D31 L32 K36 | Y29-F34 HydrophobicContact CD1-CE2 4.43Å; Y29-F34 AromaticContact CE1-CE2 3.77Å; Y29-F34 HydrophobicContact CE1-CE2 3.77Å; Y29-F34 HydrophobicContact CE1-CZ 4.04Å; D31-F34 PolarHBondContact O-N 3.47Å; L32-F34 VanDerWaalsContact C-N 3.25Å; L32-F34 PolarHBondContact O-N 3.1Å; F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 3.25Å; F34-K36 VanDerWaalsContact O-N 3.17Å |
| 35 | K | 57.9 | Low | 65.2 | Low | 159 Ų | 159 | 125.2 Ų | 125.2 | 69% | 0.691 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -85.8 | 84.3 | 158.2 | -70.5 | -160.1 | 167.1 | -169.5 | 0 | 107.2 | L32 T37 | L32-K35 WeakPolarHBondContact O-CB 3.48Å; L32-K35 PolarHBondContact O-N 3.49Å; L32-K35 VanDerWaalsContact O-N 3.1Å; K35-T37 PolarHBondContact O-N 2.83Å |
| 36 | K | 58 | Low | 67 | Low | 187 Ų | 187 | 123.8 Ų | 123.8 | 81% | 0.813 | 63% | 0.634 | S | S | * | * | trans | -34.8 | 109.1 | 158.7 | -69 | -175.6 | 179.6 | -178.6 | 0 | 106.4 | F34 | F34-K36 VanDerWaalsContact C-N 3.27Å; F34-K36 PolarHBondContact O-N 3.25Å; F34-K36 VanDerWaalsContact O-N 3.17Å | ||
| 37 | T | 59.9 | Low | 68.9 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 78% | 0.779 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 121.8 | 174.1 | 20.2 | 0 | 0 | 0 | 0 | 105.8 | K35 | K35-T37 PolarHBondContact O-N 2.83Š|
| 38 | P | 68.1 | Low | 70.9 | Confident | 114 Ų | 114 | 119.8 Ų | 119.8 | 74% | 0.74 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -47.3 | 121.1 | -171.4 | -28.1 | 31.9 | 0 | 0 | 0 | 108 | K40 | P38-K40 PolarHBondContact O-N 3.17Š|
| 39 | P | 70.4 | Confident | 72.8 | Confident | 116 Ų | 116 | 120.5 Ų | 120.5 | 75% | 0.753 | 62% | 0.62 | S | S | * | * | P | Polyproline II helix | trans | -50.7 | 117.4 | -173.9 | 13.9 | -26.7 | 0 | 0 | 0 | 107.8 | I41 | P39-I41 PolarHBondContact O-N 3.34Š|
| 40 | K | 73.4 | Confident | 74.8 | Confident | 194 Ų | 194 | 116.9 Ų | 116.9 | 84% | 0.843 | 61% | 0.614 | S | S | * | * | trans | -66 | 107.7 | -171.5 | -174.3 | 171.8 | -177.5 | 169.8 | 0 | 107.2 | P38 | P38-K40 PolarHBondContact O-N 3.17Š| ||
| 41 | I | 79.2 | Confident | 76.5 | Confident | 87 Ų | 87 | 116.1 Ų | 116.1 | 45% | 0.446 | 61% | 0.613 | S | S | . | * | trans | -56 | 128.3 | 178.4 | -63.6 | 163 | 0 | 0 | 0 | 107.2 | P39 Y43 I46 | P39-I41 PolarHBondContact O-N 3.34Å; I41-Y43 HydrophobicContact CB-CD2 4.22Å; I41-Y43 HydrophobicContact CB-CE1 4.29Å; I41-Y43 HydrophobicContact CB-CE2 3.7Å; I41-Y43 HydrophobicContact CG2-CD1 4.24Å; I41-Y43 HydrophobicContact CG2-CD2 4.45Å; I41-Y43 HydrophobicContact CG2-CE1 3.98Å; I41-Y43 HydrophobicContact CG2-CE2 4.2Å; I41-Y43 HydrophobicContact CG2-CG 4.47Å; I41-Y43 WeakPolarHBondContact O-CD2 3.23Å; I41-Y43 WeakPolarHBondContact O-CE2 3.44Å; I41-Y43 PolarHBondContact O-N 2.98Å; I41-I46 HydrophobicContact CG2-CD1 3.68Å | ||
| 42 | P | 83.6 | Confident | 78.4 | Confident | 86 Ų | 86 | 116.2 Ų | 116.2 | 56% | 0.558 | 61% | 0.613 | S | S | * | * | trans | -77 | 71.1 | -176 | 31.3 | -35.5 | 0 | 0 | 0 | 110.5 | K44 A45 I46 | P42-K44 PolarHBondContact O-N 3.48Å; P42-K44 VanDerWaalsContact O-N 3.14Å; P42-A45 HydrophobicContact CB-CB 4.27Å; P42-A45 WeakPolarHBondContact O-CB 3.24Å; P42-A45 PolarHBondContact O-N 2.85Å; P42-I46 PolarHBondContact O-N 3.38Å | ||
| 43 | Y | 88.1 | Confident | 80.2 | Confident | 155 Ų | 155 | 117.5 Ų | 117.5 | 61% | 0.608 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -56.8 | -31.8 | -178 | -66.9 | -76.3 | 0 | 0 | 0 | 113.4 | I41 A45 I46 A47 | I41-Y43 HydrophobicContact CB-CD2 4.22Å; I41-Y43 HydrophobicContact CB-CE1 4.29Å; I41-Y43 HydrophobicContact CB-CE2 3.7Å; I41-Y43 HydrophobicContact CG2-CD1 4.24Å; I41-Y43 HydrophobicContact CG2-CD2 4.45Å; I41-Y43 HydrophobicContact CG2-CE1 3.98Å; I41-Y43 HydrophobicContact CG2-CE2 4.2Å; I41-Y43 HydrophobicContact CG2-CG 4.47Å; I41-Y43 WeakPolarHBondContact O-CD2 3.23Å; I41-Y43 WeakPolarHBondContact O-CE2 3.44Å; I41-Y43 PolarHBondContact O-N 2.98Å; Y43-A45 VanDerWaalsContact C-N 3.3Å; Y43-A45 PolarHBondContact O-N 3.01Å; Y43-I46 PolarHBondContact O-N 2.95Å; Y43-A47 VanDerWaalsContact O-CB 3.24Å; Y43-A47 WeakPolarHBondContact O-CB 3Å; Y43-A47 PolarHBondContact O-N 2.8Å |
| 44 | K | 89.4 | Confident | 82.2 | Confident | 185 Ų | 185 | 117 Ų | 117 | 80% | 0.804 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -62.5 | -38.8 | 176.6 | -60.9 | -171.3 | 179.4 | -166.3 | 0 | 111.9 | P42 L48 | P42-K44 PolarHBondContact O-N 3.48Å; P42-K44 VanDerWaalsContact O-N 3.14Å; K44-L48 WeakPolarHBondContact O-CB 3.18Å; K44-L48 PolarHBondContact O-N 2.83Å |
| 45 | A | 92.6 | Very high | 84.3 | Confident | 57 Ų | 57 | 114.5 Ų | 114.5 | 47% | 0.471 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -72.8 | -41.3 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | P42 Y43 L48 A49 | P42-A45 HydrophobicContact CB-CB 4.27Å; P42-A45 WeakPolarHBondContact O-CB 3.24Å; P42-A45 PolarHBondContact O-N 2.85Å; Y43-A45 VanDerWaalsContact C-N 3.3Å; Y43-A45 PolarHBondContact O-N 3.01Å; A45-L48 PolarHBondContact O-N 2.99Å; A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.14Å |
| 46 | I | 91.6 | Very high | 86.1 | Confident | 88 Ų | 88 | 108.3 Ų | 108.3 | 45% | 0.451 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -64 | -44.9 | 176.8 | -60.7 | 166 | 0 | 0 | 0 | 110.2 | I41 P42 Y43 A49 T50 | I41-I46 HydrophobicContact CG2-CD1 3.68Å; P42-I46 PolarHBondContact O-N 3.38Å; Y43-I46 PolarHBondContact O-N 2.95Å; I46-A49 PolarHBondContact O-N 3.43Å; I46-T50 WeakPolarHBondContact O-CG2 3.46Å; I46-T50 PolarHBondContact O-N 3.05Å; I46-T50 PolarHBondContact O-OG1 3.4Å |
| 47 | A | 93.3 | Very high | 88 | Confident | 50 Ų | 50 | 101 Ų | 101 | 41% | 0.413 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63 | -41.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y43 T50 V51 | Y43-A47 VanDerWaalsContact O-CB 3.24Å; Y43-A47 WeakPolarHBondContact O-CB 3Å; Y43-A47 PolarHBondContact O-N 2.8Å; A47-T50 PolarHBondContact O-N 2.93Å; A47-T50 PolarHBondContact O-OG1 2.84Å; A47-V51 WeakPolarHBondContact O-CB 3.34Å; A47-V51 VanDerWaalsContact O-CG2 3.23Å; A47-V51 WeakPolarHBondContact O-CG2 3.24Å; A47-V51 PolarHBondContact O-N 3.23Å |
| 48 | L | 93.8 | Very high | 89.6 | Confident | 124 Ų | 124 | 101 Ų | 101 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -63.5 | -43.3 | 173.8 | -90.7 | 175.9 | 0 | 0 | 0 | 111.9 | K44 A45 T50 V51 L52 | K44-L48 WeakPolarHBondContact O-CB 3.18Å; K44-L48 PolarHBondContact O-N 2.83Å; A45-L48 PolarHBondContact O-N 2.99Å; L48-T50 VanDerWaalsContact C-N 3.34Å; L48-T50 PolarHBondContact O-N 3.36Å; L48-V51 PolarHBondContact O-N 3.3Å; L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 PolarHBondContact O-N 3.46Å |
| 49 | A | 94 | Very high | 90.8 | Very high | 58 Ų | 58 | 101 Ų | 101 | 48% | 0.479 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | A45 I46 F53 | A45-A49 WeakPolarHBondContact O-CB 3.48Å; A45-A49 PolarHBondContact O-N 3.14Å; I46-A49 PolarHBondContact O-N 3.43Å; A49-F53 WeakPolarHBondContact O-CB 3.32Å; A49-F53 PolarHBondContact O-N 2.94Å |
| 50 | T | 96.1 | Very high | 92 | Very high | 75 Ų | 75 | 101.1 Ų | 101.1 | 46% | 0.46 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.5 | -42.6 | 177.8 | 56.2 | 0 | 0 | 0 | 0 | 112.1 | I46 A47 L48 F53 L54 | I46-T50 WeakPolarHBondContact O-CG2 3.46Å; I46-T50 PolarHBondContact O-N 3.05Å; I46-T50 PolarHBondContact O-OG1 3.4Å; A47-T50 PolarHBondContact O-N 2.93Å; A47-T50 PolarHBondContact O-OG1 2.84Å; L48-T50 VanDerWaalsContact C-N 3.34Å; L48-T50 PolarHBondContact O-N 3.36Å; T50-F53 PolarHBondContact O-N 2.92Å; T50-L54 WeakPolarHBondContact O-CB 3.46Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 3.45Å |
| 51 | V | 96.5 | Very high | 93 | Very high | 76 Ų | 76 | 96.1 Ų | 96.1 | 46% | 0.461 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 176.6 | 171 | 0 | 0 | 0 | 0 | 111 | A47 L48 L54 I55 | A47-V51 WeakPolarHBondContact O-CB 3.34Å; A47-V51 VanDerWaalsContact O-CG2 3.23Å; A47-V51 WeakPolarHBondContact O-CG2 3.24Å; A47-V51 PolarHBondContact O-N 3.23Å; L48-V51 PolarHBondContact O-N 3.3Å; V51-L54 PolarHBondContact O-N 3.47Å; V51-I55 HydrophobicContact CG1-CD1 3.88Å; V51-I55 WeakPolarHBondContact O-CG1 3.25Å; V51-I55 PolarHBondContact O-N 2.83Å |
| 52 | L | 95 | Very high | 93.7 | Very high | 124 Ų | 124 | 96.3 Ų | 96.3 | 65% | 0.649 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -38.5 | 179.4 | -174.2 | 61 | 0 | 0 | 0 | 111.6 | L48 I55 G56 | L48-L52 WeakPolarHBondContact O-CB 3.39Å; L48-L52 PolarHBondContact O-N 3.46Å; L52-I55 PolarHBondContact O-N 2.83Å; L52-G56 PolarHBondContact O-N 2.87Å |
| 53 | F | 95.3 | Very high | 94.1 | Very high | 152 Ų | 152 | 94 Ų | 94 | 67% | 0.667 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.9 | -42.9 | 175 | 178.7 | -101.6 | 0 | 0 | 0 | 111.8 | A49 T50 G56 A57 | A49-F53 WeakPolarHBondContact O-CB 3.32Å; A49-F53 PolarHBondContact O-N 2.94Å; T50-F53 PolarHBondContact O-N 2.92Å; F53-G56 PolarHBondContact O-N 3.36Å; F53-A57 WeakPolarHBondContact O-CB 3.27Å; F53-A57 PolarHBondContact O-N 2.9Å |
| 54 | L | 96.8 | Very high | 94.2 | Very high | 99 Ų | 99 | 89.4 Ų | 89.4 | 52% | 0.518 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.8 | -52.3 | 175.4 | -74.5 | 169 | 0 | 0 | 0 | 110.5 | T50 V51 G56 A57 F58 | T50-L54 WeakPolarHBondContact O-CB 3.46Å; T50-L54 VanDerWaalsContact O-CG 3.24Å; T50-L54 WeakPolarHBondContact O-CG 3.41Å; T50-L54 PolarHBondContact O-N 3.45Å; V51-L54 PolarHBondContact O-N 3.47Å; L54-G56 VanDerWaalsContact C-N 3.35Å; L54-G56 PolarHBondContact O-N 3.26Å; L54-A57 PolarHBondContact O-N 3.44Å; L54-F58 WeakPolarHBondContact O-CB 3.43Å; L54-F58 WeakPolarHBondContact O-CD2 3.16Å; L54-F58 PolarHBondContact O-N 3.39Å |
| 55 | I | 97.2 | Very high | 94.1 | Very high | 91 Ų | 91 | 84.6 Ų | 84.6 | 47% | 0.467 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.6 | -46.4 | 179.5 | -64.7 | 164.2 | 0 | 0 | 0 | 110.7 | V51 L52 F58 L59 | V51-I55 HydrophobicContact CG1-CD1 3.88Å; V51-I55 WeakPolarHBondContact O-CG1 3.25Å; V51-I55 PolarHBondContact O-N 2.83Å; L52-I55 PolarHBondContact O-N 2.83Å; I55-F58 PolarHBondContact O-N 3.32Å; I55-L59 HydrophobicContact CG2-CD1 3.85Å; I55-L59 HydrophobicContact CG2-CG 4.46Å; I55-L59 WeakPolarHBondContact O-CB 3.48Å; I55-L59 VanDerWaalsContact O-CG 3.25Å; I55-L59 WeakPolarHBondContact O-CG 3.49Å; I55-L59 PolarHBondContact O-N 2.91Å |
| 56 | G | 96.7 | Very high | 93.8 | Very high | 30 Ų | 30 | 86.8 Ų | 86.8 | 31% | 0.309 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -44.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | L52 F53 L54 L59 I60 | L52-G56 PolarHBondContact O-N 2.87Å; F53-G56 PolarHBondContact O-N 3.36Å; L54-G56 VanDerWaalsContact C-N 3.35Å; L54-G56 PolarHBondContact O-N 3.26Å; G56-L59 PolarHBondContact O-N 3.31Å; G56-I60 WeakPolarHBondContact O-CG1 3.04Å; G56-I60 PolarHBondContact O-N 3.47Å |
| 57 | A | 96.1 | Very high | 93.3 | Very high | 32 Ų | 32 | 90 Ų | 90 | 26% | 0.264 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F53 L54 L59 I60 I61 | F53-A57 WeakPolarHBondContact O-CB 3.27Å; F53-A57 PolarHBondContact O-N 2.9Å; L54-A57 PolarHBondContact O-N 3.44Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.3Å; A57-I60 PolarHBondContact O-N 2.79Å; A57-I61 WeakPolarHBondContact O-CB 3.35Å; A57-I61 WeakPolarHBondContact O-CD1 3.43Å; A57-I61 WeakPolarHBondContact O-CG1 3.36Å; A57-I61 PolarHBondContact O-N 2.82Å |
| 58 | F | 94.6 | Very high | 92.6 | Very high | 128 Ų | 128 | 92.8 Ų | 92.8 | 56% | 0.561 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -60.2 | -43.7 | 174.2 | -87.9 | -70.4 | 0 | 0 | 0 | 112 | L54 I55 I61 I62 | L54-F58 WeakPolarHBondContact O-CB 3.43Å; L54-F58 WeakPolarHBondContact O-CD2 3.16Å; L54-F58 PolarHBondContact O-N 3.39Å; I55-F58 PolarHBondContact O-N 3.32Å; F58-I61 PolarHBondContact O-N 3.42Å; F58-I62 WeakPolarHBondContact O-CB 3.17Å; F58-I62 VanDerWaalsContact O-CG1 3.27Å; F58-I62 WeakPolarHBondContact O-CG1 3.43Å; F58-I62 PolarHBondContact O-N 2.82Å |
| 59 | L | 94.2 | Very high | 91.3 | Very high | 115 Ų | 115 | 88.4 Ų | 88.4 | 60% | 0.602 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -63.7 | -40.6 | 177.3 | -73.5 | 166.9 | 0 | 0 | 0 | 112.2 | I55 G56 A57 G63 | I55-L59 HydrophobicContact CG2-CD1 3.85Å; I55-L59 HydrophobicContact CG2-CG 4.46Å; I55-L59 WeakPolarHBondContact O-CB 3.48Å; I55-L59 VanDerWaalsContact O-CG 3.25Å; I55-L59 WeakPolarHBondContact O-CG 3.49Å; I55-L59 PolarHBondContact O-N 2.91Å; G56-L59 PolarHBondContact O-N 3.31Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.3Å; L59-G63 WeakPolarHBondContact O-CA 3.15Å; L59-G63 PolarHBondContact O-N 2.94Å |
| 60 | I | 94.6 | Very high | 89.5 | Confident | 117 Ų | 117 | 92.9 Ų | 92.9 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 175 | -68.1 | -63.6 | 0 | 0 | 0 | 110.8 | G56 A57 G63 S64 | G56-I60 WeakPolarHBondContact O-CG1 3.04Å; G56-I60 PolarHBondContact O-N 3.47Å; A57-I60 PolarHBondContact O-N 2.79Å; I60-G63 PolarHBondContact O-N 2.79Å; I60-S64 WeakPolarHBondContact O-CB 3.45Å; I60-S64 PolarHBondContact O-N 2.74Å; I60-S64 PolarHBondContact O-OG 2.88Å |
| 61 | I | 94.2 | Very high | 87.8 | Confident | 89 Ų | 89 | 96.7 Ų | 96.7 | 46% | 0.456 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.9 | -51.1 | 177.4 | -68.8 | 163.2 | 0 | 0 | 0 | 110 | A57 F58 G63 S64 L65 | A57-I61 WeakPolarHBondContact O-CB 3.35Å; A57-I61 WeakPolarHBondContact O-CD1 3.43Å; A57-I61 WeakPolarHBondContact O-CG1 3.36Å; A57-I61 PolarHBondContact O-N 2.82Å; F58-I61 PolarHBondContact O-N 3.42Å; I61-G63 PolarHBondContact O-N 3.32Å; I61-S64 PolarHBondContact O-N 3.49Å; I61-L65 HydrophobicContact CG2-CD1 3.92Å; I61-L65 HydrophobicContact CG2-CD2 4.5Å; I61-L65 WeakPolarHBondContact O-CB 3.36Å; I61-L65 WeakPolarHBondContact O-CD1 3.13Å; I61-L65 PolarHBondContact O-N 3.35Å |
| 62 | I | 93.3 | Very high | 85.9 | Confident | 92 Ų | 92 | 97.2 Ų | 97.2 | 47% | 0.472 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -62.7 | -45 | 178.5 | -66 | 166.7 | 0 | 0 | 0 | 110.5 | F58 S64 L65 L66 | F58-I62 WeakPolarHBondContact O-CB 3.17Å; F58-I62 VanDerWaalsContact O-CG1 3.27Å; F58-I62 WeakPolarHBondContact O-CG1 3.43Å; F58-I62 PolarHBondContact O-N 2.82Å; I62-S64 VanDerWaalsContact C-N 3.33Å; I62-S64 PolarHBondContact O-N 3.23Å; I62-L65 PolarHBondContact O-N 3.44Å; I62-L66 HydrophobicContact CG2-CD1 3.82Å; I62-L66 HydrophobicContact CG2-CG 4.2Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.24Å; I62-L66 WeakPolarHBondContact O-CG 3.18Å; I62-L66 PolarHBondContact O-N 2.99Å |
| 63 | G | 92.6 | Very high | 84 | Confident | 36 Ų | 36 | 101.2 Ų | 101.2 | 37% | 0.371 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | L59 I60 I61 L67 | L59-G63 WeakPolarHBondContact O-CA 3.15Å; L59-G63 PolarHBondContact O-N 2.94Å; I60-G63 PolarHBondContact O-N 2.79Å; I61-G63 PolarHBondContact O-N 3.32Å; G63-L67 WeakPolarHBondContact O-CB 3.24Å; G63-L67 PolarHBondContact O-N 2.85Å |
| 64 | S | 91.5 | Very high | 82.4 | Confident | 60 Ų | 60 | 97.1 Ų | 97.1 | 42% | 0.42 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.9 | -38 | 175 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | I60 I61 I62 S68 | I60-S64 WeakPolarHBondContact O-CB 3.45Å; I60-S64 PolarHBondContact O-N 2.74Å; I60-S64 PolarHBondContact O-OG 2.88Å; I61-S64 PolarHBondContact O-N 3.49Å; I62-S64 VanDerWaalsContact C-N 3.33Å; I62-S64 PolarHBondContact O-N 3.23Å; S64-S68 WeakPolarHBondContact O-CA 2.92Å; S64-S68 WeakPolarHBondContact O-CB 3.4Å; S64-S68 PolarHBondContact O-N 3.17Å |
| 65 | L | 86.8 | Confident | 80.3 | Confident | 83 Ų | 83 | 97.4 Ų | 97.4 | 44% | 0.435 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -42.9 | 175.1 | -96.2 | 61.4 | 0 | 0 | 0 | 111.5 | I61 I62 G69 Y70 | I61-L65 HydrophobicContact CG2-CD1 3.92Å; I61-L65 HydrophobicContact CG2-CD2 4.5Å; I61-L65 WeakPolarHBondContact O-CB 3.36Å; I61-L65 WeakPolarHBondContact O-CD1 3.13Å; I61-L65 PolarHBondContact O-N 3.35Å; I62-L65 PolarHBondContact O-N 3.44Å; L65-G69 PolarHBondContact O-N 3Å; L65-Y70 HydrophobicContact CB-CD2 4.12Å; L65-Y70 HydrophobicContact CB-CE2 4.35Å; L65-Y70 HydrophobicContact CD2-CE2 4.17Å; L65-Y70 HydrophobicContact CG-CE2 4.34Å; L65-Y70 PolarHBondContact O-N 2.75Å; L65-Y70 VanDerWaalsContact O-N 3.17Å |
| 66 | L | 84.9 | Confident | 78.3 | Confident | 103 Ų | 103 | 100.4 Ų | 100.4 | 54% | 0.539 | 58% | 0.575 | S | S | . | * | I | π-helix | trans | -62.9 | -46.8 | 174.8 | -71.6 | 173.8 | 0 | 0 | 0 | 111 | I62 | I62-L66 HydrophobicContact CG2-CD1 3.82Å; I62-L66 HydrophobicContact CG2-CG 4.2Å; I62-L66 WeakPolarHBondContact O-CB 3.2Å; I62-L66 VanDerWaalsContact O-CG 3.24Å; I62-L66 WeakPolarHBondContact O-CG 3.18Å; I62-L66 PolarHBondContact O-N 2.99Å |
| 67 | L | 82.6 | Confident | 76.2 | Confident | 156 Ų | 156 | 106.3 Ų | 106.3 | 82% | 0.817 | 59% | 0.594 | S | S | * | * | I | π-helix | trans | -67.3 | -39.6 | 178 | -176.4 | 64.5 | 0 | 0 | 0 | 112.7 | G63 G69 | G63-L67 WeakPolarHBondContact O-CB 3.24Å; G63-L67 PolarHBondContact O-N 2.85Å; L67-G69 PolarHBondContact O-N 3.3Å |
| 68 | S | 77.5 | Confident | 74.1 | Confident | 108 Ų | 108 | 109.9 Ų | 109.9 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | I | π-helix | trans | -77 | -3.3 | -175.2 | -175.7 | 0 | 0 | 0 | 0 | 114 | S64 | S64-S68 WeakPolarHBondContact O-CA 2.92Å; S64-S68 WeakPolarHBondContact O-CB 3.4Å; S64-S68 PolarHBondContact O-N 3.17Å |
| 69 | G | 67.2 | Low | 72.4 | Confident | 33 Ų | 33 | 109.2 Ų | 109.2 | 34% | 0.34 | 62% | 0.623 | S | S | . | * | I | π-helix | trans | 122.3 | 34.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | L65 L67 I71 S72 | L65-G69 PolarHBondContact O-N 3Å; L67-G69 PolarHBondContact O-N 3.3Å; G69-I71 PolarHBondContact O-N 3.31Å; G69-S72 PolarHBondContact O-N 3.41Å |
| 70 | Y | 56.7 | Low | 70.4 | Confident | 152 Ų | 152 | 109.3 Ų | 109.3 | 60% | 0.596 | 63% | 0.634 | S | S | * | * | I | π-helix | trans | -65.9 | -5 | 147.9 | -94.4 | -90.1 | 0 | 0 | 0 | 112.6 | L65 S72 | L65-Y70 HydrophobicContact CB-CD2 4.12Å; L65-Y70 HydrophobicContact CB-CE2 4.35Å; L65-Y70 HydrophobicContact CD2-CE2 4.17Å; L65-Y70 HydrophobicContact CG-CE2 4.34Å; L65-Y70 PolarHBondContact O-N 2.75Å; L65-Y70 VanDerWaalsContact O-N 3.17Å; Y70-S72 VanDerWaalsContact C-N 3.3Å |
| 71 | I | 60.1 | Low | 68.4 | Low | 155 Ų | 155 | 114.2 Ų | 114.2 | 80% | 0.795 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 40.4 | 158.8 | -54.2 | -68.9 | 0 | 0 | 0 | 110.9 | G69 | G69-I71 PolarHBondContact O-N 3.31Š|
| 72 | S | 56.6 | Low | 66.5 | Low | 86 Ų | 86 | 119.3 Ų | 119.3 | 60% | 0.601 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -138.5 | 76.2 | 161.5 | -158 | 0 | 0 | 0 | 0 | 109.7 | G69 Y70 | G69-S72 PolarHBondContact O-N 3.41Å; Y70-S72 VanDerWaalsContact C-N 3.3Å |
| 73 | K | 55.3 | Low | 64.5 | Low | 208 Ų | 208 | 123.6 Ų | 123.6 | 90% | 0.904 | 69% | 0.685 | S | S | * | * | S | Bend | trans | 71.4 | 49.4 | 156.5 | -48.9 | -178.7 | -178.6 | 175.5 | 0 | 118.1 | ||
| 74 | G | 60.4 | Low | 62.5 | Low | 66 Ų | 66 | 131.6 Ų | 131.6 | 68% | 0.68 | 71% | 0.709 | S | S | * | * | S | Bend | trans | -132.3 | -15 | -176.6 | 0 | 0 | 0 | 0 | 0 | 120 | ||
| 75 | S | 54.3 | Low | 60.7 | Low | 105 Ų | 105 | 138.7 Ų | 138.7 | 73% | 0.734 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -160.4 | 51.1 | -176.7 | -161 | 0 | 0 | 0 | 0 | 113.2 | ||
| 76 | L | 55.3 | Low | 59.3 | Low | 155 Ų | 155 | 138 Ų | 138 | 81% | 0.812 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -155.3 | 38.6 | 160.1 | -121.7 | 162.7 | 0 | 0 | 0 | 109.9 | ||
| 77 | E | 51.7 | Low | 58 | Low | 154 Ų | 154 | 140.1 Ų | 140.1 | 72% | 0.72 | 75% | 0.751 | S | S | * | * | trans | -120.5 | 58 | 160.2 | -163.3 | -170 | 112.5 | 0 | 0 | 108.4 | ||||
| 78 | S | 51.8 | Low | 56.5 | Low | 106 Ų | 106 | 141 Ų | 141 | 74% | 0.741 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -115.6 | 45.8 | 158 | 49.1 | 0 | 0 | 0 | 0 | 108.9 | ||
| 79 | T | 58.1 | Low | 55.6 | Low | 114 Ų | 114 | 145.5 Ų | 145.5 | 70% | 0.699 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -163.1 | 116.2 | 161.8 | 12.1 | 0 | 0 | 0 | 0 | 109.4 | ||
| 80 | S | 53 | Low | 54.5 | Low | 118 Ų | 118 | 151.5 Ų | 151.5 | 83% | 0.825 | 78% | 0.775 | S | S | * | * | S | Bend | trans | 92.1 | 36.3 | 149.5 | -153.4 | 0 | 0 | 0 | 0 | 121 | ||
| 81 | R | 52.3 | Low | 54.8 | Low | 219 Ų | 219 | 151.8 Ų | 151.8 | 83% | 0.826 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -120.9 | -4.4 | 158.8 | -71.9 | -150.9 | 173.6 | -161.1 | 1.1 | 117.7 | ||
| 82 | E | 54.3 | Low | 54.3 | Low | 196 Ų | 196 | 149.8 Ų | 149.8 | 92% | 0.916 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -98.3 | 6.2 | 179.4 | -166.3 | 137.8 | 99.4 | 0 | 0 | 115.3 | ||
| 83 | Q | 51.8 | Low | 54.2 | Low | 183 Ų | 183 | 149.7 Ų | 149.7 | 86% | 0.855 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -136.2 | 33.3 | -172.9 | -135.4 | 168.5 | -7.4 | 0 | 0 | 115.4 | ||
| 84 | K | 51.4 | Low | 54.1 | Low | 203 Ų | 203 | 145.5 Ų | 145.5 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -139.5 | 42.1 | 163.8 | -145 | -168.1 | -172.4 | -163.1 | 0 | 113.5 | ||
| 85 | K | 53.3 | Low | 53.8 | Low | 210 Ų | 210 | 154.3 Ų | 154.3 | 91% | 0.913 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -130.5 | 14.9 | 165.7 | -157.8 | 164.9 | -177.7 | -75.4 | 0 | 113.6 | ||
| 86 | A | 57.3 | Low | 53.5 | Low | 69 Ų | 69 | 152.1 Ų | 152.1 | 57% | 0.57 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -103 | -14.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 87 | D | 57.2 | Low | 53.2 | Low | 146 Ų | 146 | 155.1 Ų | 155.1 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -113.7 | 44.9 | -168.9 | -59.3 | -37.3 | 0 | 0 | 0 | 114.7 | ||||
| 88 | H | 52 | Low | 53.1 | Low | 174 Ų | 174 | 155.8 Ų | 155.8 | 81% | 0.806 | 80% | 0.799 | S | S | * | * | trans | -125.5 | 48.9 | 153.9 | -151.3 | -75 | 0 | 0 | 0 | 110.6 | H90 | H88-H90 VanDerWaalsContact C-N 3.28Å; H88-H90 PolarHBondContact O-N 3.24Å | ||
| 89 | K | 57.4 | Low | 53.2 | Low | 204 Ų | 204 | 159.4 Ų | 159.4 | 89% | 0.887 | 81% | 0.806 | S | S | * | * | trans | -79.4 | 82.3 | 156 | -73.5 | -96.7 | -170.3 | 174.2 | 0 | 107.7 | ||||
| 90 | H | 45.3 | Very low | 52.9 | Low | 158 Ų | 158 | 157.9 Ų | 157.9 | 73% | 0.731 | 81% | 0.813 | S | S | * | * | trans | -116.5 | 87 | 161.1 | -150 | -70.1 | 0 | 0 | 0 | 108.5 | H88 | H88-H90 VanDerWaalsContact C-N 3.28Å; H88-H90 PolarHBondContact O-N 3.24Å | ||
| 91 | L | 61.7 | Low | 52.9 | Low | 159 Ų | 159 | 155.7 Ų | 155.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | -120.7 | 128.9 | 152.8 | -90.7 | 135 | 0 | 0 | 0 | 104.3 | ||||
| 92 | P | 50.7 | Low | 52.9 | Low | 112 Ų | 112 | 153.6 Ų | 153.6 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | -149.8 | 134.9 | 76 | 35 | -15.6 | 0 | 0 | 0 | 114.9 | |||||
| 93 | A | 53.4 | Low | 52.6 | Low | 85 Ų | 85 | 150.4 Ų | 150.4 | 70% | 0.702 | 81% | 0.812 | S | S | * | * | trans | -159.6 | 90.7 | 150.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 94 | S | 54.5 | Low | 52.4 | Low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 80% | 0.804 | S | S | * | * | 59.6 | 117.9 | 94.9 | -84.8 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 95 | R | 53.4 | Low | 52.1 | Low | 251 Ų | 251 | 147 Ų | 147 | 95% | 0.947 | 81% | 0.806 | S | S | * | * | 116.7 | 107.3 | 123.9 | -154 | 169.6 | -175.4 | 164.3 | -0.7 | 115.2 | |||||
| 96 | G | 48 | Very low | 51.7 | Low | 60 Ų | 60 | 141.4 Ų | 141.4 | 62% | 0.619 | 79% | 0.794 | S | S | * | * | 101.9 | 82.2 | 129 | 0 | 0 | 0 | 0 | 0 | 116.8 | M98 | G96-M98 PolarHBondContact O-N 3.32Š| |||
| 97 | Y | 47.6 | Very low | 51.6 | Low | 217 Ų | 217 | 143.9 Ų | 143.9 | 85% | 0.851 | 80% | 0.804 | S | S | * | * | trans | -63.9 | 107.4 | 143.8 | 2.9 | -99.8 | 0 | 0 | 0 | 108 | ||||
| 98 | M | 51.6 | Low | 51.3 | Low | 169 Ų | 169 | 145.6 Ų | 145.6 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -168.9 | 111.6 | 152 | -80.1 | -45.8 | 164.1 | 0 | 0 | 108.3 | G96 | G96-M98 PolarHBondContact O-N 3.32Š| ||
| 99 | M | 52.6 | Low | 50.8 | Low | 182 Ų | 182 | 141.3 Ų | 141.3 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | 173.4 | 89.1 | 122.6 | -90.7 | -56.2 | 170.5 | 0 | 0 | 110.2 | |||||
| 100 | G | 52.2 | Low | 50.1 | Low | 82 Ų | 82 | 135.3 Ų | 135.3 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | -91.5 | 129.5 | 149.8 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 101 | G | 51.9 | Low | 50.4 | Low | 72 Ų | 72 | 136.4 Ų | 136.4 | 74% | 0.742 | 82% | 0.817 | S | S | * | * | trans | 174.9 | 81.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 102 | I | 53.5 | Low | 49.5 | Very low | 175 Ų | 175 | 134.2 Ų | 134.2 | 90% | 0.897 | 82% | 0.815 | S | S | * | * | trans | -41.4 | 131.5 | 164.5 | 44.2 | 162.5 | 0 | 0 | 0 | 114.4 | ||||
| 103 | S | 48.5 | Very low | 49.5 | Very low | 129 Ų | 129 | 133.7 Ų | 133.7 | 90% | 0.902 | 81% | 0.814 | S | S | * | * | trans | -172.3 | 116.3 | 138 | -150.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 104 | G | 45.8 | Very low | 49.2 | Very low | 67 Ų | 67 | 141.4 Ų | 141.4 | 69% | 0.691 | 83% | 0.825 | S | S | * | * | trans | 106.5 | 112.7 | 135 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 105 | R | 47 | Very low | 49.2 | Very low | 246 Ų | 246 | 143 Ų | 143 | 93% | 0.928 | 82% | 0.823 | S | S | * | * | trans | 78.6 | 124.3 | 130.1 | -151.7 | -176.9 | -61.1 | -164.3 | 1.2 | 116.1 | ||||
| 106 | S | 45 | Very low | 49.1 | Very low | 93 Ų | 93 | 137 Ų | 137 | 65% | 0.65 | 82% | 0.817 | S | S | * | * | cis | -159.9 | 160.9 | 6.5 | -101.2 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 107 | P | 54.8 | Low | 49.2 | Very low | 122 Ų | 122 | 141.7 Ų | 141.7 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | trans | -98.7 | 110.6 | 173.3 | 34.3 | -22.9 | 0 | 0 | 0 | 111.1 | ||||
| 108 | E | 49.8 | Very low | 49.4 | Very low | 182 Ų | 182 | 135.2 Ų | 135.2 | 85% | 0.85 | 82% | 0.822 | S | S | * | * | trans | -131.6 | 103.5 | 166.7 | -60.7 | -83.4 | 137.8 | 0 | 0 | 104.1 | ||||
| 109 | G | 41.6 | Very low | 48.9 | Very low | 83 Ų | 83 | 137.8 Ų | 137.8 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | 97.8 | 117.5 | 73.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | |||||
| 110 | G | 43.5 | Very low | 48.5 | Very low | 79 Ų | 79 | 132.7 Ų | 132.7 | 81% | 0.814 | 82% | 0.816 | S | S | * | * | trans | 138.6 | 94.1 | 163.8 | 0 | 0 | 0 | 0 | 0 | 116.1 | S112 | G110-S112 PolarHBondContact O-N 3.27Š| ||
| 111 | L | 50.5 | Low | 48.2 | Very low | 180 Ų | 180 | 135.6 Ų | 135.6 | 94% | 0.942 | 82% | 0.818 | S | S | * | * | trans | -55.8 | 130.8 | 152.5 | -81.8 | 87.7 | 0 | 0 | 0 | 109.3 | ||||
| 112 | S | 44.2 | Very low | 48 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 80% | 0.797 | 82% | 0.824 | S | S | * | * | trans | -153.7 | 106.4 | 150.2 | -143.8 | 0 | 0 | 0 | 0 | 111.7 | G110 | G110-S112 PolarHBondContact O-N 3.27Š| ||
| 113 | S | 49.6 | Very low | 48.1 | Very low | 101 Ų | 101 | 138.7 Ų | 138.7 | 71% | 0.706 | 82% | 0.817 | S | S | * | * | trans | -37.8 | 138 | 155.7 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 114 | R | 48.4 | Very low | 48 | Very low | 247 Ų | 247 | 138.2 Ų | 138.2 | 93% | 0.932 | 81% | 0.814 | S | S | * | * | -172.6 | 132 | 128.7 | -105 | 173.7 | -167.9 | -126.2 | 5.8 | 113.2 | |||||
| 115 | L | 53.1 | Low | 48.3 | Very low | 152 Ų | 152 | 140.4 Ų | 140.4 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -36.1 | 154.3 | 171.2 | -105.5 | 81.3 | 0 | 0 | 0 | 116.6 | ||||
| 116 | P | 51.7 | Low | 49 | Very low | 124 Ų | 124 | 134 Ų | 134 | 81% | 0.805 | 81% | 0.809 | S | S | * | * | trans | -75.8 | 117.6 | 151.7 | 30.8 | -28.2 | 0 | 0 | 0 | 110.3 | G118 | P116-G118 PolarHBondContact O-N 3.49Š| ||
| 117 | E | 51.2 | Low | 49.3 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 74% | 0.743 | 84% | 0.84 | S | S | * | * | trans | -68.6 | 112.1 | 168.6 | -80.8 | -166.5 | 114.2 | 0 | 0 | 110 | R119 | E117-R119 IonicContact OE1-NH2 3.43Å; E117-R119 PolarHBondContact OE1-NH2 3.43Å | ||
| 118 | G | 50.2 | Low | 49 | Very low | 81 Ų | 81 | 142.2 Ų | 142.2 | 84% | 0.835 | 84% | 0.843 | S | S | * | * | trans | -84.6 | 131.3 | 154.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | P116 | P116-G118 PolarHBondContact O-N 3.49Š| ||
| 119 | R | 41.7 | Very low | 49 | Very low | 224 Ų | 224 | 140.1 Ų | 140.1 | 85% | 0.845 | 84% | 0.842 | S | S | * | * | trans | -147.5 | 124.1 | 169.9 | -167.6 | 178.9 | -81.4 | 158.2 | 2.8 | 110.2 | E117 | E117-R119 IonicContact OE1-NH2 3.43Å; E117-R119 PolarHBondContact OE1-NH2 3.43Å | ||
| 120 | G | 45.3 | Very low | 49.4 | Very low | 74 Ų | 74 | 143.3 Ų | 143.3 | 76% | 0.763 | 84% | 0.841 | S | S | * | * | trans | 167.4 | 37.2 | 173 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 121 | T | 44.8 | Very low | 49.7 | Very low | 144 Ų | 144 | 147.1 Ų | 147.1 | 88% | 0.883 | 84% | 0.843 | S | S | * | * | trans | -81.5 | 111.1 | 162.9 | 17.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 122 | Q | 48.1 | Very low | 49.7 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 84% | 0.837 | S | S | * | * | trans | -83.6 | 130.6 | 158.3 | -84.3 | -90.1 | 53.4 | 0 | 0 | 107.9 | ||||
| 123 | V | 55.4 | Low | 50.1 | Low | 123 Ų | 123 | 147.1 Ų | 147.1 | 75% | 0.745 | 84% | 0.839 | S | S | * | * | trans | -99.3 | 141 | 179.8 | 86.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 124 | S | 47.5 | Very low | 50.1 | Low | 118 Ų | 118 | 150.4 Ų | 150.4 | 83% | 0.825 | 85% | 0.849 | S | S | * | * | trans | -175.2 | 99.6 | 143.8 | 52 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 125 | S | 52.1 | Low | 50.2 | Low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 84% | 0.842 | S | S | * | * | trans | 2 | 162.7 | 152.6 | -61.2 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 126 | P | 61.1 | Low | 50 | Low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 85% | 0.846 | S | S | * | * | trans | -98.9 | 158.6 | -169.1 | 39.5 | -29.9 | 0 | 0 | 0 | 113.7 | ||||
| 127 | D | 50.7 | Low | 49.8 | Very low | 245 Ų | 245 | 143.8 Ų | 143.8 | 100% | 1.31 | 85% | 0.85 | S | S | * | * | trans | -147.7 | 0 | 145.1 | -85.4 | -34.4 | 0 | 0 | 0 | 108 |
Retrieved 127 of 127 residues in 38.7 ms
(Link to these results)