| 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 | 33.1 | Very low | 38.6 | Very low | 237 Ų | 237 | 131.3 Ų | 131.3 | 100% | 1.167 | 77% | 0.767 | S | S | * | * | 0 | 114 | 0 | -82.9 | -92.5 | 142.8 | 0 | 0 | 106.4 | |||||
| 2 | S | 40.6 | Very low | 38.7 | Very low | 105 Ų | 105 | 134 Ų | 134 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | 76.8 | 99.7 | 168.3 | -44.5 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 3 | E | 38.3 | Very low | 38.9 | Very low | 166 Ų | 166 | 134.3 Ų | 134.3 | 78% | 0.776 | 77% | 0.773 | S | S | * | * | 66 | 113.1 | 50 | -57 | -175.9 | 166.4 | 0 | 0 | 112.8 | |||||
| 4 | E | 42.7 | Very low | 39.4 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 69% | 0.692 | 78% | 0.779 | S | S | * | * | trans | 33.9 | 147 | 137.5 | 76.1 | -152.3 | 100.9 | 0 | 0 | 119.1 | ||||
| 5 | E | 40.9 | Very low | 39.9 | Very low | 155 Ų | 155 | 139.2 Ų | 139.2 | 72% | 0.724 | 78% | 0.779 | S | S | * | * | cis | 172.4 | 166.3 | 33.7 | 42 | -173.2 | 129.3 | 0 | 0 | 108.8 | ||||
| 6 | S | 33.8 | Very low | 40.7 | Very low | 92 Ų | 92 | 137.3 Ų | 137.3 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | trans | 71.3 | 99.6 | 144.1 | -69.3 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 7 | S | 43.5 | Very low | 41.8 | Very low | 109 Ų | 109 | 134.6 Ų | 134.6 | 76% | 0.762 | 77% | 0.77 | S | S | * | * | 33.1 | 116.5 | 112.3 | -45.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 8 | T | 34.9 | Very low | 42.5 | Very low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 76% | 0.758 | S | S | * | * | -166.3 | 127.9 | 125.6 | 15.7 | 0 | 0 | 0 | 0 | 111.7 | T10 | T8-T10 PolarHBondContact O-N 3.31Š| |||
| 9 | S | 41.3 | Very low | 44 | Very low | 113 Ų | 113 | 128.3 Ų | 128.3 | 79% | 0.79 | 73% | 0.733 | S | S | * | * | trans | -40.5 | 114.1 | 166.5 | 50.5 | 0 | 0 | 0 | 0 | 113.3 | G11 | S9-G11 VanDerWaalsContact C-N 3.26Å; S9-G11 PolarHBondContact O-N 2.77Å | ||
| 10 | T | 36.3 | Very low | 45.3 | Very low | 138 Ų | 138 | 127.2 Ų | 127.2 | 85% | 0.847 | 72% | 0.724 | S | S | * | * | trans | -81.1 | 87.1 | 160.3 | -33.8 | 0 | 0 | 0 | 0 | 107.1 | T8 | T8-T10 PolarHBondContact O-N 3.31Š| ||
| 11 | G | 39.5 | Very low | 46.6 | Very low | 46 Ų | 46 | 125.8 Ų | 125.8 | 47% | 0.474 | 71% | 0.714 | S | S | . | * | trans | -51 | 141.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | S9 N13 | S9-G11 VanDerWaalsContact C-N 3.26Å; S9-G11 PolarHBondContact O-N 2.77Å; G11-N13 PolarHBondContact O-N 3.24Å | ||
| 12 | N | 39.5 | Very low | 48.3 | Very low | 164 Ų | 164 | 119.1 Ų | 119.1 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | trans | -57.9 | 87.5 | 168.4 | -64.1 | -30.2 | 0 | 0 | 0 | 108.2 | K14 | N12-K14 PolarHBondContact O-N 3.23Š| ||
| 13 | N | 40.7 | Very low | 50 | Low | 138 Ų | 138 | 118.9 Ų | 118.9 | 74% | 0.738 | 68% | 0.677 | S | S | * | * | trans | -70.2 | 81.7 | 162 | -77.3 | -36.2 | 0 | 0 | 0 | 105.4 | G11 D15 | G11-N13 PolarHBondContact O-N 3.24Å; N13-D15 PolarHBondContact O-N 3.37Å | ||
| 14 | K | 46 | Very low | 51.4 | Low | 195 Ų | 195 | 117.5 Ų | 117.5 | 85% | 0.848 | 67% | 0.669 | S | S | * | * | trans | -59 | 89.6 | 152.6 | -175.2 | 170.1 | -176.9 | 173.6 | 0 | 103.4 | N12 S16 | N12-K14 PolarHBondContact O-N 3.23Å; K14-S16 PolarHBondContact O-N 3.42Å | ||
| 15 | D | 47.8 | Very low | 52.9 | Low | 147 Ų | 147 | 117.4 Ų | 117.4 | 79% | 0.786 | 67% | 0.673 | S | S | * | * | trans | -45.9 | 101.5 | 171.5 | -85.2 | -72.2 | 0 | 0 | 0 | 105.6 | N13 S17 | N13-D15 PolarHBondContact O-N 3.37Å; D15-S17 VanDerWaalsContact C-N 3.28Å; D15-S17 PolarHBondContact O-N 3.28Å | ||
| 16 | S | 53.1 | Low | 54.3 | Low | 109 Ų | 109 | 113.2 Ų | 113.2 | 76% | 0.762 | 67% | 0.671 | S | S | * | * | trans | -59.5 | 104.9 | 174.3 | -136.2 | 0 | 0 | 0 | 0 | 102.9 | K14 I18 | K14-S16 PolarHBondContact O-N 3.42Å; S16-I18 PolarHBondContact O-N 3.38Å | ||
| 17 | S | 57.9 | Low | 55.8 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 64% | 0.636 | 66% | 0.66 | S | S | * | * | trans | -52.9 | 96.6 | 175 | 52.2 | 0 | 0 | 0 | 0 | 106.1 | D15 S19 | D15-S17 VanDerWaalsContact C-N 3.28Å; D15-S17 PolarHBondContact O-N 3.28Å; S17-S19 PolarHBondContact O-N 3.42Å | ||
| 18 | I | 54.3 | Low | 57.2 | Low | 108 Ų | 108 | 109.7 Ų | 109.7 | 55% | 0.554 | 64% | 0.635 | S | S | * | * | trans | -70.4 | 90.2 | 178.4 | -115.9 | 173.1 | 0 | 0 | 0 | 104.7 | S16 K33 | S16-I18 PolarHBondContact O-N 3.38Å; I18-K33 VanDerWaalsContact CG2-CE 3.49Å | ||
| 19 | S | 71.4 | Confident | 59 | Low | 42 Ų | 42 | 107 Ų | 107 | 29% | 0.294 | 61% | 0.61 | S | S | . | * | trans | -82.3 | 112.4 | 173.7 | 58.1 | 0 | 0 | 0 | 0 | 106.5 | S17 L21 Y30 | S17-S19 PolarHBondContact O-N 3.42Å; S19-L21 PolarHBondContact O-N 3.09Å; S19-Y30 WeakPolarHBondContact OG-CD1 3.49Å | ||
| 20 | L | 69.5 | Low | 60.6 | Low | 106 Ų | 106 | 105.7 Ų | 105.7 | 56% | 0.555 | 59% | 0.589 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.4 | 118.1 | 179.9 | -122.4 | 140.7 | 0 | 0 | 0 | 108.2 | L22 V31 | L20-L22 HydrophobicContact CD2-CD1 4.41Å; L20-L22 PolarHBondContact O-N 2.72Å; L20-V31 HydrophobicContact CB-CB 4.44Å; L20-V31 PolarHBondContact N-O 3.36Å; L20-V31 PolarHBondContact O-N 2.75Å |
| 21 | L | 72.5 | Confident | 62.1 | Low | 98 Ų | 98 | 100.6 Ų | 100.6 | 51% | 0.513 | 56% | 0.558 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.2 | 117.2 | 175 | -79.5 | 100.2 | 0 | 0 | 0 | 109.9 | S19 Y29 Y30 | S19-L21 PolarHBondContact O-N 3.09Å; L21-Y29 WeakPolarHBondContact CA-O 3.32Å; L21-Y30 HydrophobicContact CD1-CD1 4.22Å; L21-Y30 HydrophobicContact CD1-CE1 3.72Å; L21-Y30 HydrophobicContact CD2-CE1 3.91Å; L21-Y30 HydrophobicContact CG-CD1 4.02Å; L21-Y30 HydrophobicContact CG-CE1 3.67Å |
| 22 | L | 69.6 | Low | 63.7 | Low | 97 Ų | 97 | 102.1 Ų | 102.1 | 51% | 0.508 | 56% | 0.555 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.4 | 124.8 | 172.3 | -126.8 | 71.9 | 0 | 0 | 0 | 109.1 | L20 Y29 | L20-L22 HydrophobicContact CD2-CD1 4.41Å; L20-L22 PolarHBondContact O-N 2.72Å; L22-Y29 PolarHBondContact N-O 2.92Å; L22-Y29 PolarHBondContact O-N 2.93Å |
| 23 | T | 76 | Confident | 65 | Low | 100 Ų | 100 | 103 Ų | 103 | 61% | 0.613 | 55% | 0.551 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -104.7 | 118 | 174.3 | -49.1 | 0 | 0 | 0 | 0 | 108.6 | Q27 T28 | T23-Q27 WeakPolarHBondContact CA-O 3.15Å; T23-T28 HydrophobicContact CG2-CG2 4.31Å |
| 24 | K | 68.2 | Low | 66.1 | Low | 137 Ų | 137 | 100.6 Ų | 100.6 | 60% | 0.596 | 55% | 0.545 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 134.2 | 175.5 | -165.7 | -173 | 168.5 | -176.2 | 0 | 108.7 | G26 Q27 Y29 | K24-G26 PolarHBondContact O-N 3.39Å; K24-G26 VanDerWaalsContact O-N 3.12Å; K24-Q27 PolarHBondContact N-O 2.96Å; K24-Q27 VanDerWaalsContact N-O 3.09Å; K24-Q27 PolarHBondContact O-N 3.34Å; K24-Q27 VanDerWaalsContact O-N 3.1Å; K24-Y29 HydrophobicContact CB-CE2 4.42Å |
| 25 | D | 73.8 | Confident | 66.7 | Low | 145 Ų | 145 | 94.2 Ų | 94.2 | 78% | 0.775 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 58.9 | 23.7 | 178.6 | -50.7 | -49.2 | 0 | 0 | 0 | 114.5 | Q27 | D25-Q27 VanDerWaalsContact C-N 3.35Š|
| 26 | G | 71.2 | Confident | 67.2 | Low | 67 Ų | 67 | 91.5 Ų | 91.5 | 69% | 0.691 | 52% | 0.523 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83.5 | 3.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.1 | K24 | K24-G26 PolarHBondContact O-N 3.39Å; K24-G26 VanDerWaalsContact O-N 3.12Å |
| 27 | Q | 64.3 | Low | 67.4 | Low | 86 Ų | 86 | 90.8 Ų | 90.8 | 40% | 0.402 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 140.1 | 173.2 | -75.9 | 174.1 | 0.2 | 0 | 0 | 110.8 | T23 K24 D25 Y29 | T23-Q27 WeakPolarHBondContact CA-O 3.15Å; K24-Q27 PolarHBondContact N-O 2.96Å; K24-Q27 VanDerWaalsContact N-O 3.09Å; K24-Q27 PolarHBondContact O-N 3.34Å; K24-Q27 VanDerWaalsContact O-N 3.1Å; D25-Q27 VanDerWaalsContact C-N 3.35Å; Q27-Y29 HydrophobicContact CB-CE2 3.83Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.47Å; Q27-Y29 WeakPolarHBondContact O-CE2 3.39Å; Q27-Y29 PolarHBondContact OE1-OH 3.33Å |
| 28 | T | 72.9 | Confident | 67.4 | Low | 42 Ų | 42 | 90.4 Ų | 90.4 | 26% | 0.258 | 51% | 0.505 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 130.6 | 178.5 | 46.3 | 0 | 0 | 0 | 0 | 110.4 | T23 V43 | T23-T28 HydrophobicContact CG2-CG2 4.31Å; T28-V43 PolarHBondContact OG1-O 3.47Å |
| 29 | Y | 73.3 | Confident | 67.7 | Low | 77 Ų | 77 | 90.6 Ų | 90.6 | 30% | 0.302 | 51% | 0.514 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 133.6 | 179.5 | -56.8 | -85.9 | 0 | 0 | 0 | 109.7 | L21 L22 K24 Q27 V42 | L21-Y29 WeakPolarHBondContact CA-O 3.32Å; L22-Y29 PolarHBondContact N-O 2.92Å; L22-Y29 PolarHBondContact O-N 2.93Å; K24-Y29 HydrophobicContact CB-CE2 4.42Å; Q27-Y29 HydrophobicContact CB-CE2 3.83Å; Q27-Y29 WeakPolarHBondContact O-CD2 3.47Å; Q27-Y29 WeakPolarHBondContact O-CE2 3.39Å; Q27-Y29 PolarHBondContact OE1-OH 3.33Å; Y29-V42 HydrophobicContact CD1-CG2 4.21Å; Y29-V42 HydrophobicContact CE1-CG2 3.9Å |
| 30 | Y | 76 | Confident | 67.1 | Low | 86 Ų | 86 | 98.9 Ų | 98.9 | 34% | 0.337 | 54% | 0.539 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 124.6 | 172 | -70.8 | -89.8 | 0 | 0 | 0 | 109.1 | S19 L21 | S19-Y30 WeakPolarHBondContact OG-CD1 3.49Å; L21-Y30 HydrophobicContact CD1-CD1 4.22Å; L21-Y30 HydrophobicContact CD1-CE1 3.72Å; L21-Y30 HydrophobicContact CD2-CE1 3.91Å; L21-Y30 HydrophobicContact CG-CD1 4.02Å; L21-Y30 HydrophobicContact CG-CE1 3.67Å |
| 31 | V | 66.9 | Low | 66.5 | Low | 32 Ų | 32 | 98.2 Ų | 98.2 | 19% | 0.194 | 54% | 0.536 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116 | 116.9 | 178.6 | -173.2 | 0 | 0 | 0 | 0 | 109.2 | L20 V37 | L20-V31 HydrophobicContact CB-CB 4.44Å; L20-V31 PolarHBondContact N-O 3.36Å; L20-V31 PolarHBondContact O-N 2.75Å; V31-V37 HydrophobicContact CG2-CG1 4.13Å |
| 32 | D | 73.9 | Confident | 65.5 | Low | 77 Ų | 77 | 96.1 Ų | 96.1 | 41% | 0.412 | 53% | 0.527 | S | S | . | . | trans | -75 | 154.5 | 171.5 | -70.4 | -53.8 | 0 | 0 | 0 | 110.8 | S34 G35 | D32-S34 PolarHBondContact O-N 3.39Å; D32-G35 PolarHBondContact O-N 3.14Å | ||
| 33 | K | 65.1 | Low | 64.9 | Low | 182 Ų | 182 | 95.8 Ų | 95.8 | 79% | 0.791 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | -10.4 | -179.8 | -75.3 | -175.2 | 176.5 | -172.3 | 0 | 114.7 | I18 G35 | I18-K33 VanDerWaalsContact CG2-CE 3.49Å; K33-G35 PolarHBondContact O-N 3.23Å |
| 34 | S | 64.2 | Low | 63.5 | Low | 89 Ų | 89 | 95 Ų | 95 | 62% | 0.622 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.4 | -5.8 | 172 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | D32 V36 | D32-S34 PolarHBondContact O-N 3.39Å; S34-V36 PolarHBondContact O-N 2.91Å |
| 35 | G | 58 | Low | 62.1 | Low | 60 Ų | 60 | 94.1 Ų | 94.1 | 62% | 0.619 | 53% | 0.532 | S | S | * | . | trans | 71.8 | 8.8 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | D32 K33 | D32-G35 PolarHBondContact O-N 3.14Å; K33-G35 PolarHBondContact O-N 3.23Å | ||
| 36 | V | 58.3 | Low | 60.4 | Low | 90 Ų | 90 | 95.8 Ų | 95.8 | 55% | 0.545 | 54% | 0.535 | S | S | . | . | trans | -87.6 | 119.8 | 176.2 | 177.7 | 0 | 0 | 0 | 0 | 108.4 | S34 | S34-V36 PolarHBondContact O-N 2.91Š| ||
| 37 | V | 59 | Low | 58.7 | Low | 95 Ų | 95 | 101.4 Ų | 101.4 | 58% | 0.576 | 54% | 0.544 | S | S | * | . | B | Isolated β-bridge | trans | -85.2 | 108.5 | 169.3 | -65.8 | 0 | 0 | 0 | 0 | 108 | V31 C39 | V31-V37 HydrophobicContact CG2-CG1 4.13Å; V37-C39 PolarHBondContact O-N 3.2Å |
| 38 | D | 57.3 | Low | 57.6 | Low | 83 Ų | 83 | 102.2 Ų | 102.2 | 44% | 0.444 | 56% | 0.559 | S | S | . | * | trans | -82.9 | 111.8 | 171.9 | -161.3 | -34.3 | 0 | 0 | 0 | 108.9 | R40 N41 | D38-R40 PolarHBondContact O-N 2.71Å; D38-R40 WeakPolarHBondContact OD1-CB 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.43Å; D38-R40 PolarHBondContact OD1-N 3.28Å; D38-N41 PolarHBondContact O-N 3.34Å | ||
| 39 | C | 60.8 | Low | 55.8 | Low | 111 Ų | 111 | 108.1 Ų | 108.1 | 75% | 0.75 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -63.7 | -9.8 | 179.6 | -52.9 | 0 | 0 | 0 | 0 | 113.1 | V37 N41 | V37-C39 PolarHBondContact O-N 3.2Å; C39-N41 VanDerWaalsContact C-N 3.32Å |
| 40 | R | 57.5 | Low | 54.3 | Low | 217 Ų | 217 | 112.2 Ų | 112.2 | 82% | 0.819 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -74.4 | -18.9 | 179.7 | -71.1 | 173.4 | 150.3 | 168.5 | -7.3 | 113.9 | D38 | D38-R40 PolarHBondContact O-N 2.71Å; D38-R40 WeakPolarHBondContact OD1-CB 3.46Å; D38-R40 WeakPolarHBondContact OD1-CG 3.43Å; D38-R40 PolarHBondContact OD1-N 3.28Å |
| 41 | N | 57.1 | Low | 52.6 | Low | 92 Ų | 92 | 115.1 Ų | 115.1 | 49% | 0.492 | 64% | 0.637 | S | S | . | * | G | 310 helix | trans | -102.3 | 26.4 | -171.2 | -75.6 | 29.2 | 0 | 0 | 0 | 114.5 | D38 C39 V43 | D38-N41 PolarHBondContact O-N 3.34Å; C39-N41 VanDerWaalsContact C-N 3.32Å; N41-V43 PolarHBondContact O-N 2.86Å |
| 42 | V | 51.9 | Low | 51.6 | Low | 53 Ų | 53 | 120.6 Ų | 120.6 | 32% | 0.321 | 66% | 0.663 | S | S | . | * | trans | -71.9 | 100.4 | 172.1 | -178.1 | 0 | 0 | 0 | 0 | 108.8 | Y29 T44 | Y29-V42 HydrophobicContact CD1-CG2 4.21Å; Y29-V42 HydrophobicContact CE1-CG2 3.9Å; V42-T44 HydrophobicContact CG1-CG2 4.48Å; V42-T44 PolarHBondContact O-N 3.17Å | ||
| 43 | V | 56.7 | Low | 50 | Low | 90 Ų | 90 | 124.2 Ų | 124.2 | 55% | 0.545 | 68% | 0.675 | S | S | . | * | B | Isolated β-bridge | trans | -86.5 | 101.1 | 171.3 | 176.5 | 0 | 0 | 0 | 0 | 107.9 | T28 N41 | T28-V43 PolarHBondContact OG1-O 3.47Å; N41-V43 PolarHBondContact O-N 2.86Å |
| 44 | T | 46.5 | Very low | 49.2 | Very low | 85 Ų | 85 | 120.4 Ų | 120.4 | 52% | 0.521 | 67% | 0.671 | S | S | . | * | trans | -72.7 | 137.4 | 163 | 47.7 | 0 | 0 | 0 | 0 | 108.9 | V42 Q46 | V42-T44 HydrophobicContact CG1-CG2 4.48Å; V42-T44 PolarHBondContact O-N 3.17Å; T44-Q46 PolarHBondContact O-N 3.45Å | ||
| 45 | P | 40.4 | Very low | 48 | Very low | 117 Ų | 117 | 124.5 Ų | 124.5 | 76% | 0.76 | 68% | 0.675 | S | S | * | * | trans | -54.7 | 108.4 | 168.6 | -24.3 | 34.4 | 0 | 0 | 0 | 109.5 | E47 | P45-E47 PolarHBondContact O-N 3.04Š| ||
| 46 | Q | 38.1 | Very low | 47.1 | Very low | 180 Ų | 180 | 127.8 Ų | 127.8 | 84% | 0.841 | 68% | 0.678 | S | S | * | * | trans | -78.4 | 104.3 | 177.9 | -178.6 | 174.2 | 4.1 | 0 | 0 | 107.1 | T44 S48 | T44-Q46 PolarHBondContact O-N 3.45Å; Q46-S48 PolarHBondContact O-N 3.42Å; Q46-S48 VanDerWaalsContact O-N 3.13Å | ||
| 47 | E | 34.1 | Very low | 46.9 | Very low | 186 Ų | 186 | 131.3 Ų | 131.3 | 87% | 0.869 | 69% | 0.69 | S | S | * | * | trans | -66.5 | 111.5 | 171.2 | -49.2 | -156.5 | 135.6 | 0 | 0 | 107.4 | P45 D49 | P45-E47 PolarHBondContact O-N 3.04Å; E47-D49 PolarHBondContact O-N 2.91Å | ||
| 48 | S | 42.3 | Very low | 46 | Very low | 103 Ų | 103 | 133.9 Ų | 133.9 | 72% | 0.72 | 70% | 0.701 | S | S | * | * | trans | -76.7 | 106.6 | 176.5 | 41.4 | 0 | 0 | 0 | 0 | 109.5 | Q46 | Q46-S48 PolarHBondContact O-N 3.42Å; Q46-S48 VanDerWaalsContact O-N 3.13Å | ||
| 49 | D | 34.1 | Very low | 45.3 | Very low | 165 Ų | 165 | 137.6 Ų | 137.6 | 88% | 0.882 | 72% | 0.721 | S | S | * | * | trans | -140.8 | 116.7 | 153.5 | -93.2 | -47.5 | 0 | 0 | 0 | 110.9 | E47 | E47-D49 PolarHBondContact O-N 2.91Š| ||
| 50 | N | 41.8 | Very low | 44.7 | Very low | 163 Ų | 163 | 137.3 Ų | 137.3 | 87% | 0.872 | 73% | 0.726 | S | S | * | * | trans | -71.8 | 121.8 | 170 | -76.2 | -77 | 0 | 0 | 0 | 109.2 | ||||
| 51 | N | 39.9 | Very low | 43.8 | Very low | 147 Ų | 147 | 133.5 Ų | 133.5 | 79% | 0.786 | 72% | 0.722 | S | S | * | * | trans | -157.4 | 102.5 | 145.3 | -151.3 | 20.2 | 0 | 0 | 0 | 112.1 | ||||
| 52 | M | 46.1 | Very low | 43.4 | Very low | 148 Ų | 148 | 136.5 Ų | 136.5 | 73% | 0.729 | 73% | 0.733 | S | S | * | * | 24.1 | 111.6 | 129 | -162.9 | 86.1 | 87.5 | 0 | 0 | 116.5 | |||||
| 53 | F | 40.5 | Very low | 43 | Very low | 152 Ų | 152 | 142.8 Ų | 142.8 | 67% | 0.667 | 76% | 0.759 | S | S | * | * | -179.6 | 103.4 | 118.2 | -95.9 | -70.2 | 0 | 0 | 0 | 109.6 | Y55 | F53-Y55 HydrophobicContact CB-CD2 4.31Å; F53-Y55 HydrophobicContact CB-CE2 4.04Å; F53-Y55 HydrophobicContact CD1-CD2 4.38Å; F53-Y55 AromaticContact CD1-CE2 3.48Å; F53-Y55 HydrophobicContact CD1-CE2 3.48Å; F53-Y55 VanDerWaalsContact CD1-CE2 3.48Å; F53-Y55 AromaticContact CD1-CZ 3.8Å; F53-Y55 HydrophobicContact CE1-CE2 4.25Å; F53-Y55 AromaticContact CG-CE2 3.96Å; F53-Y55 HydrophobicContact CG-CE2 3.96Å | |||
| 54 | S | 49.3 | Very low | 42.4 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | -65.4 | 130 | 157 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 55 | Y | 37.8 | Very low | 42.5 | Very low | 175 Ų | 175 | 147.6 Ų | 147.6 | 69% | 0.686 | 79% | 0.788 | S | S | * | * | trans | -137.2 | 94.6 | 154.5 | -76.2 | -74.9 | 0 | 0 | 0 | 108.3 | F53 M57 | F53-Y55 HydrophobicContact CB-CD2 4.31Å; F53-Y55 HydrophobicContact CB-CE2 4.04Å; F53-Y55 HydrophobicContact CD1-CD2 4.38Å; F53-Y55 AromaticContact CD1-CE2 3.48Å; F53-Y55 HydrophobicContact CD1-CE2 3.48Å; F53-Y55 VanDerWaalsContact CD1-CE2 3.48Å; F53-Y55 AromaticContact CD1-CZ 3.8Å; F53-Y55 HydrophobicContact CE1-CE2 4.25Å; F53-Y55 AromaticContact CG-CE2 3.96Å; F53-Y55 HydrophobicContact CG-CE2 3.96Å; Y55-M57 HydrophobicContact CD1-CE 4.43Å | ||
| 56 | D | 40.5 | Very low | 43.2 | Very low | 128 Ų | 128 | 148.1 Ų | 148.1 | 68% | 0.684 | 79% | 0.789 | S | S | * | * | trans | -68.1 | 131.4 | 157.3 | -156.9 | -107.1 | 0 | 0 | 0 | 107.6 | ||||
| 57 | M | 52.7 | Low | 43.7 | Very low | 164 Ų | 164 | 148.2 Ų | 148.2 | 81% | 0.808 | 80% | 0.795 | S | S | * | * | trans | -135 | 73 | 176.3 | -80.4 | -74.3 | 136.5 | 0 | 0 | 108.8 | Y55 | Y55-M57 HydrophobicContact CD1-CE 4.43Š| ||
| 58 | D | 41.4 | Very low | 44.4 | Very low | 150 Ų | 150 | 146.2 Ų | 146.2 | 80% | 0.802 | 79% | 0.79 | S | S | * | * | trans | -126.1 | 101.4 | 160.8 | -95.8 | -74.9 | 0 | 0 | 0 | 106.7 | ||||
| 59 | D | 42.5 | Very low | 44.3 | Very low | 161 Ų | 161 | 146.5 Ų | 146.5 | 86% | 0.861 | 79% | 0.787 | S | S | * | * | trans | 179 | 107.5 | 147.2 | -156.6 | -138.8 | 0 | 0 | 0 | 110.4 | ||||
| 60 | A | 46.9 | Very low | 44.8 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 86% | 0.86 | 78% | 0.784 | S | S | * | * | trans | -156.3 | 81.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 61 | D | 39.4 | Very low | 45.2 | Very low | 138 Ų | 138 | 143.6 Ų | 143.6 | 74% | 0.738 | 78% | 0.781 | S | S | * | * | trans | -36.4 | 137.1 | 162.7 | -169.2 | 46.6 | 0 | 0 | 0 | 115.1 | ||||
| 62 | E | 48.6 | Very low | 45.8 | Very low | 154 Ų | 154 | 142 Ų | 142 | 72% | 0.72 | 78% | 0.779 | S | S | * | * | trans | 32.5 | 132.5 | 142.6 | -62.1 | -85.2 | 105.8 | 0 | 0 | 121.3 | ||||
| 63 | E | 43.7 | Very low | 46 | Very low | 186 Ų | 186 | 145.7 Ų | 145.7 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | 143.3 | 90.3 | 141.7 | -74.2 | -92.3 | 126.2 | 0 | 0 | 112.1 | ||||
| 64 | S | 44.3 | Very low | 46 | Very low | 126 Ų | 126 | 145.2 Ų | 145.2 | 88% | 0.881 | 79% | 0.789 | S | S | * | * | trans | -162.4 | 65.5 | 146.1 | 43.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 65 | D | 48.9 | Very low | 46.6 | Very low | 150 Ų | 150 | 145.5 Ų | 145.5 | 80% | 0.802 | 79% | 0.791 | S | S | * | * | trans | -89.9 | 117 | 158 | 178.3 | 22.9 | 0 | 0 | 0 | 108.5 | ||||
| 66 | V | 54.5 | Low | 46.9 | Very low | 128 Ų | 128 | 140.9 Ų | 140.9 | 78% | 0.776 | 79% | 0.789 | S | S | * | * | trans | -179.7 | 84.7 | 150.7 | -85.3 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 67 | L | 48.9 | Very low | 47 | Very low | 182 Ų | 182 | 139.5 Ų | 139.5 | 95% | 0.953 | 80% | 0.795 | S | S | * | * | trans | -152.4 | 78.4 | 147.4 | -77.8 | -170.9 | 0 | 0 | 0 | 109.1 | ||||
| 68 | D | 49.4 | Very low | 46.7 | Very low | 143 Ų | 143 | 137.2 Ų | 137.2 | 77% | 0.765 | 80% | 0.795 | S | S | * | * | trans | -96.7 | 156.5 | 162.2 | -177 | 32.2 | 0 | 0 | 0 | 110.4 | ||||
| 69 | T | 39.9 | Very low | 47.2 | Very low | 110 Ų | 110 | 135.4 Ų | 135.4 | 68% | 0.675 | 79% | 0.792 | S | S | * | * | trans | 113 | 91.5 | 162.1 | 71.8 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 70 | S | 43.1 | Very low | 47.4 | Very low | 117 Ų | 117 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | 110.6 | 104.8 | 124.4 | -44.4 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 71 | D | 50.1 | Low | 47.4 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 80% | 0.802 | 79% | 0.788 | S | S | * | * | trans | -80.4 | 146 | 156.2 | -167.5 | -8.7 | 0 | 0 | 0 | 109.9 | ||||
| 72 | P | 54.2 | Low | 47.5 | Very low | 114 Ų | 114 | 138.6 Ų | 138.6 | 74% | 0.74 | 78% | 0.783 | S | S | * | * | -166.8 | 111.5 | 102.7 | 37.2 | -12.7 | 0 | 0 | 0 | 116 | |||||
| 73 | R | 48.5 | Very low | 47 | Very low | 225 Ų | 225 | 138.1 Ų | 138.1 | 85% | 0.849 | 79% | 0.785 | S | S | * | * | trans | -145.2 | 94.2 | 151.4 | -72.4 | -162.1 | 80.4 | 170.2 | 0.1 | 114.2 | ||||
| 74 | D | 41.5 | Very low | 47.2 | Very low | 142 Ų | 142 | 137 Ų | 137 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | -42.8 | 128.4 | 146.3 | -166.4 | -81.8 | 0 | 0 | 0 | 111.9 | A76 | D74-A76 PolarHBondContact OD1-N 3.33Š| ||
| 75 | S | 62 | Low | 47.4 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -143.3 | 87.1 | 154.9 | -73.5 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 76 | A | 43.2 | Very low | 47.2 | Very low | 78 Ų | 78 | 139.6 Ų | 139.6 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | -67.3 | 157.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | D74 | D74-A76 PolarHBondContact OD1-N 3.33Š| ||
| 77 | A | 44.2 | Very low | 46.8 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 77% | 0.773 | S | S | * | * | trans | 88.3 | 104.2 | 166.1 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 78 | S | 46.4 | Very low | 46.4 | Very low | 116 Ų | 116 | 138.2 Ų | 138.2 | 81% | 0.811 | 77% | 0.773 | S | S | * | * | 74.9 | 143.8 | 67.9 | -162 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 79 | P | 50.4 | Low | 45.8 | Very low | 113 Ų | 113 | 134.5 Ų | 134.5 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -143.9 | 169.9 | 22.3 | 39.5 | -17.2 | 0 | 0 | 0 | 118.7 | ||||
| 80 | E | 46.8 | Very low | 46 | Very low | 155 Ų | 155 | 137.7 Ų | 137.7 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | trans | 9.9 | 125.5 | 145.9 | -138.1 | 146.9 | 118.5 | 0 | 0 | 120.9 | L82 | E80-L82 HydrophobicContact CG-CG 4.47Š| ||
| 81 | E | 48.4 | Very low | 46.3 | Very low | 194 Ų | 194 | 137 Ų | 137 | 91% | 0.907 | 76% | 0.763 | S | S | * | * | trans | -137 | 117 | 141.4 | -78.9 | -79.9 | 92.7 | 0 | 0 | 107.7 | ||||
| 82 | L | 40.3 | Very low | 46.3 | Very low | 121 Ų | 121 | 137.1 Ų | 137.1 | 63% | 0.634 | 76% | 0.758 | S | S | * | * | trans | -61.4 | 131.3 | 176 | -65.8 | 153.9 | 0 | 0 | 0 | 110.6 | E80 | E80-L82 HydrophobicContact CG-CG 4.47Š| ||
| 83 | N | 37.8 | Very low | 46.2 | Very low | 144 Ų | 144 | 137 Ų | 137 | 77% | 0.77 | 75% | 0.752 | S | S | * | * | trans | -128.3 | 75.7 | 150.9 | -171.1 | 81.8 | 0 | 0 | 0 | 108.6 | E85 | N83-E85 PolarHBondContact O-N 3.25Š| ||
| 84 | E | 48.7 | Very low | 46.7 | Very low | 161 Ų | 161 | 130.5 Ų | 130.5 | 75% | 0.752 | 74% | 0.737 | S | S | * | * | trans | -73.1 | 100.6 | 153.9 | 50.4 | -171.3 | 142.2 | 0 | 0 | 108.2 | ||||
| 85 | E | 47.2 | Very low | 48.2 | Very low | 164 Ų | 164 | 126.1 Ų | 126.1 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | trans | -147.6 | 114.8 | 159 | -173.2 | 175.3 | 74.5 | 0 | 0 | 109.3 | N83 | N83-E85 PolarHBondContact O-N 3.25Š| ||
| 86 | D | 45.8 | Very low | 48.9 | Very low | 168 Ų | 168 | 123 Ų | 123 | 90% | 0.898 | 69% | 0.69 | S | S | * | * | trans | -50.1 | 134.8 | -175.5 | -66.1 | -89.3 | 0 | 0 | 0 | 115.7 | ||||
| 87 | G | 46.3 | Very low | 50.9 | Low | 63 Ų | 63 | 123.5 Ų | 123.5 | 65% | 0.649 | 69% | 0.685 | S | S | * | * | trans | 179.1 | 94 | 167 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 88 | F | 39.7 | Very low | 53.1 | Low | 217 Ų | 217 | 119.1 Ų | 119.1 | 95% | 0.952 | 65% | 0.648 | S | S | * | * | trans | 87.3 | 103.5 | 158.5 | -63 | -91.8 | 0 | 0 | 0 | 118.6 | ||||
| 89 | G | 37.9 | Very low | 55.2 | Low | 66 Ų | 66 | 117.9 Ų | 117.9 | 68% | 0.68 | 64% | 0.636 | S | S | * | * | trans | 95.9 | 97.9 | 131.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | N91 | G89-N91 PolarHBondContact O-N 3.46Š| ||
| 90 | E | 44.1 | Very low | 57.1 | Low | 177 Ų | 177 | 117.3 Ų | 117.3 | 83% | 0.827 | 62% | 0.62 | S | S | * | * | trans | -17.6 | 101.8 | 135.3 | -174.1 | -161.8 | 173.2 | 0 | 0 | 111 | ||||
| 91 | N | 49.3 | Very low | 58.9 | Low | 101 Ų | 101 | 117.3 Ų | 117.3 | 54% | 0.54 | 63% | 0.625 | S | S | . | * | trans | -134.1 | 59 | 162.5 | -134.3 | -50.3 | 0 | 0 | 0 | 110 | G89 N93 V94 | G89-N91 PolarHBondContact O-N 3.46Å; N91-N93 PolarHBondContact O-N 3.44Å; N91-V94 HydrophobicContact CB-CG2 3.89Å; N91-V94 WeakPolarHBondContact OD1-CA 3.3Å; N91-V94 WeakPolarHBondContact OD1-CB 3.29Å; N91-V94 VanDerWaalsContact OD1-CG1 3.24Å; N91-V94 WeakPolarHBondContact OD1-CG1 3.46Å; N91-V94 WeakPolarHBondContact OD1-CG2 3.27Å; N91-V94 PolarHBondContact OD1-N 2.86Å | ||
| 92 | E | 50.4 | Low | 60.7 | Low | 153 Ų | 153 | 111.7 Ų | 111.7 | 72% | 0.715 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -49.4 | 104.5 | 154.7 | -144.6 | -173 | 130.1 | 0 | 0 | 107.6 | V94 | E92-V94 PolarHBondContact O-N 3.11Š|
| 93 | N | 51.6 | Low | 63 | Low | 112 Ų | 112 | 106.9 Ų | 106.9 | 60% | 0.599 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 51.4 | 68.4 | 167.7 | -53.7 | -72.1 | 0 | 0 | 0 | 114.4 | N91 S95 T108 | N91-N93 PolarHBondContact O-N 3.44Å; N93-S95 VanDerWaalsContact C-N 3.28Å; N93-S95 PolarHBondContact O-N 3.29Å; N93-S95 PolarHBondContact O-OG 3.25Å; N93-T108 HydrophobicContact CB-CG2 4.45Å |
| 94 | V | 59.7 | Low | 65.3 | Low | 89 Ų | 89 | 106.5 Ų | 106.5 | 54% | 0.539 | 60% | 0.598 | S | S | . | * | trans | -52.1 | 85.3 | -174.1 | -159.4 | 0 | 0 | 0 | 0 | 112.4 | N91 E92 K96 | N91-V94 HydrophobicContact CB-CG2 3.89Å; N91-V94 WeakPolarHBondContact OD1-CA 3.3Å; N91-V94 WeakPolarHBondContact OD1-CB 3.29Å; N91-V94 VanDerWaalsContact OD1-CG1 3.24Å; N91-V94 WeakPolarHBondContact OD1-CG1 3.46Å; N91-V94 WeakPolarHBondContact OD1-CG2 3.27Å; N91-V94 PolarHBondContact OD1-N 2.86Å; E92-V94 PolarHBondContact O-N 3.11Å; V94-K96 PolarHBondContact O-N 3.48Å; V94-K96 VanDerWaalsContact O-N 3.1Å | ||
| 95 | S | 71.4 | Confident | 67.2 | Low | 49 Ų | 49 | 101.5 Ų | 101.5 | 34% | 0.343 | 58% | 0.575 | S | S | . | * | trans | -76.6 | 108.2 | 179.4 | -61.3 | 0 | 0 | 0 | 0 | 105.1 | N93 T97 T106 T107 T108 | N93-S95 VanDerWaalsContact C-N 3.28Å; N93-S95 PolarHBondContact O-N 3.29Å; N93-S95 PolarHBondContact O-OG 3.25Å; S95-T97 PolarHBondContact O-N 3.44Å; S95-T106 WeakPolarHBondContact O-CG2 3.48Å; S95-T107 CarbonylContact C-O 3.42Å; S95-T107 WeakPolarHBondContact CA-O 3.22Å; S95-T108 PolarHBondContact OG-OG1 3Å; S95-T108 VanDerWaalsContact OG-OG1 3.12Å | ||
| 96 | K | 78.3 | Confident | 69.1 | Low | 44 Ų | 44 | 96.9 Ų | 96.9 | 19% | 0.191 | 56% | 0.558 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.9 | 118.3 | -178.4 | -66.2 | -168.4 | -176.8 | -173.2 | 0 | 109.3 | V94 T106 T107 A111 W117 | V94-K96 PolarHBondContact O-N 3.48Å; V94-K96 VanDerWaalsContact O-N 3.1Å; K96-T106 CarbonylContact O-C 3.48Å; K96-T106 VanDerWaalsContact O-CA 3.3Å; K96-T106 WeakPolarHBondContact O-CA 3.3Å; K96-T106 WeakPolarHBondContact O-CG2 3.42Å; K96-T107 HydrophobicContact CB-CG2 3.98Å; K96-T107 PolarHBondContact N-O 3.48Å; K96-T107 PolarHBondContact O-N 3.14Å; K96-A111 HydrophobicContact CD-CB 3.94Å; K96-A111 PolarHBondContact NZ-O 3.41Å; K96-W117 HydrophobicContact CB-CB 4.05Å; K96-W117 HydrophobicContact CD-CB 4.19Å |
| 97 | T | 85.1 | Confident | 70.9 | Confident | 88 Ų | 88 | 90.3 Ų | 90.3 | 54% | 0.54 | 52% | 0.524 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 150.6 | 174.5 | 54.5 | 0 | 0 | 0 | 0 | 110.6 | S95 T99 E105 T106 | S95-T97 PolarHBondContact O-N 3.44Å; T97-T99 PolarHBondContact O-N 3.31Å; T97-E105 CarbonylContact C-O 3.59Å; T97-E105 WeakPolarHBondContact CA-O 3.35Å; T97-T106 HydrophobicContact CG2-CG2 3.78Å |
| 98 | C | 90.3 | Very high | 72.2 | Confident | 6 Ų | 6 | 91.7 Ų | 91.7 | 4% | 0.041 | 52% | 0.52 | C | S | . | . | P | Polyproline II helix | trans | -63.1 | 125.7 | 173.8 | 177.8 | 0 | 0 | 0 | 0 | 109.6 | Y100 C103 E105 W117 C119 H122 | C98-Y100 PolarHBondContact O-N 3.09Å; C98-C103 HydrophobicContact CB-CB 3.85Å; C98-C103 VanDerWaalsContact CB-SG 3.53Å; C98-E105 HydrophobicContact CB-CB 4.47Å; C98-E105 PolarHBondContact N-O 2.95Å; C98-W117 WeakPolarHBondContact CA-O 3.34Å; C98-W117 HydrophobicContact CB-CE3 4.15Å; C98-W117 HydrophobicContact CB-CZ3 3.83Å; C98-C119 HydrophobicContact CB-CB 4Å; C98-C119 PolarHBondContact SG-N 3.46Å; C98-C119 VanDerWaalsContact SG-N 3.36Å; C98-H122 PolarHBondContact SG-ND1 3.45Å |
| 99 | T | 88.8 | Confident | 73.5 | Confident | 90 Ų | 90 | 89.1 Ų | 89.1 | 55% | 0.552 | 51% | 0.511 | S | S | * | . | S | Bend | trans | -66.7 | 2.7 | -179.4 | -43.4 | 0 | 0 | 0 | 0 | 114.7 | T97 P116 W117 | T97-T99 PolarHBondContact O-N 3.31Å; T99-P116 HydrophobicContact CG2-CB 4.22Å; T99-P116 VanDerWaalsContact OG1-CB 3.31Å; T99-P116 WeakPolarHBondContact OG1-CB 3.49Å; T99-W117 PolarHBondContact N-O 2.96Å; T99-W117 PolarHBondContact OG1-O 3.16Å |
| 100 | Y | 90.6 | Very high | 74.5 | Confident | 102 Ų | 102 | 93.5 Ų | 93.5 | 40% | 0.4 | 52% | 0.524 | S | S | . | . | S | Bend | trans | -86.8 | 133 | 179.8 | -172.1 | -88 | 0 | 0 | 0 | 110.3 | C98 G102 C103 H122 K125 | C98-Y100 PolarHBondContact O-N 3.09Å; Y100-G102 PolarHBondContact O-N 3.04Å; Y100-C103 HydrophobicContact CD1-CB 4.49Å; Y100-C103 VanDerWaalsContact O-CB 3.27Å; Y100-C103 WeakPolarHBondContact O-CB 3.43Å; Y100-C103 PolarHBondContact O-N 3.39Å; Y100-H122 VanDerWaalsContact CB-CG 3.49Å; Y100-H122 WeakPolarHBondContact CB-ND1 3.46Å; Y100-H122 AromaticContact CD1-CD2 3.45Å; Y100-H122 VanDerWaalsContact CD1-CD2 3.45Å; Y100-H122 WeakPolarHBondContact CD1-CD2 3.24Å; Y100-H122 AromaticContact CD1-CE1 3.35Å; Y100-H122 WeakPolarHBondContact CD1-CE1 3.39Å; Y100-H122 AromaticContact CD1-CG 3.87Å; Y100-H122 AromaticContact CD1-ND1 3.8Å; Y100-H122 AromaticContact CD1-NE2 3.15Å; Y100-H122 WeakPolarHBondContact CD1-NE2 3.25Å; Y100-H122 HydrophobicContact CD2-CB 4.33Å; Y100-H122 AromaticContact CD2-CD2 3.71Å; Y100-H122 AromaticContact CD2-CG 3.94Å; Y100-H122 AromaticContact CE1-CD2 3.76Å; Y100-H122 AromaticContact CE1-NE2 3.42Å; Y100-H122 WeakPolarHBondContact CE1-NE2 3.37Å; Y100-H122 AromaticContact CE2-CD2 4Å; Y100-H122 HydrophobicContact CG-CB 4.22Å; Y100-H122 AromaticContact CG-CD2 3.42Å; Y100-H122 VanDerWaalsContact CG-CD2 3.42Å; Y100-H122 AromaticContact CG-CE1 3.74Å; Y100-H122 AromaticContact CG-CG 3.49Å; Y100-H122 VanDerWaalsContact CG-CG 3.49Å; Y100-H122 AromaticContact CG-ND1 3.68Å; Y100-H122 AromaticContact CG-NE2 3.64Å; Y100-K125 PolarHBondContact OH-NZ 2.72Å |
| 101 | D | 85.4 | Confident | 75.3 | Confident | 154 Ų | 154 | 87 Ų | 87 | 82% | 0.824 | 50% | 0.501 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | 126.4 | -177.8 | -163.3 | -106 | 0 | 0 | 0 | 111.6 | ||
| 102 | G | 86.9 | Confident | 75.9 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 78% | 0.784 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.1 | 9.6 | -175.7 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y100 | Y100-G102 PolarHBondContact O-N 3.04Š|
| 103 | C | 88.4 | Confident | 76.7 | Confident | 21 Ų | 21 | 93.2 Ų | 93.2 | 14% | 0.142 | 52% | 0.523 | C | S | . | . | trans | -95.1 | 121.5 | 174.3 | -166.4 | 0 | 0 | 0 | 0 | 112.5 | C98 Y100 H122 | C98-C103 HydrophobicContact CB-CB 3.85Å; C98-C103 VanDerWaalsContact CB-SG 3.53Å; Y100-C103 HydrophobicContact CD1-CB 4.49Å; Y100-C103 VanDerWaalsContact O-CB 3.27Å; Y100-C103 WeakPolarHBondContact O-CB 3.43Å; Y100-C103 PolarHBondContact O-N 3.39Å; C103-H122 WeakPolarHBondContact CB-CE1 3.31Å; C103-H122 PolarHBondContact SG-CE1 2.95Å; C103-H122 PolarHBondContact SG-ND1 2.86Å | ||
| 104 | T | 85.5 | Confident | 77.5 | Confident | 135 Ų | 135 | 99.2 Ų | 99.2 | 83% | 0.828 | 54% | 0.537 | S | S | * | . | trans | -94.1 | 9 | 176.7 | 56.6 | 0 | 0 | 0 | 0 | 113.7 | T106 | T104-T106 PolarHBondContact O-OG1 3.08Š| ||
| 105 | E | 89.2 | Confident | 78.4 | Confident | 57 Ų | 57 | 103.1 Ų | 103.1 | 27% | 0.266 | 55% | 0.547 | S | S | . | . | trans | -73.7 | 132.4 | 178.2 | -65.2 | -175.4 | -177.9 | 0 | 0 | 109.6 | T97 C98 W117 C119 K121 | T97-E105 CarbonylContact C-O 3.59Å; T97-E105 WeakPolarHBondContact CA-O 3.35Å; C98-E105 HydrophobicContact CB-CB 4.47Å; C98-E105 PolarHBondContact N-O 2.95Å; E105-W117 HydrophobicContact CB-CH2 4.4Å; E105-W117 HydrophobicContact CB-CZ3 4.5Å; E105-W117 WeakPolarHBondContact O-CZ3 3.28Å; E105-C119 HydrophobicContact CB-CB 3.91Å; E105-C119 WeakPolarHBondContact OE2-CB 3.27Å; E105-C119 PolarHBondContact OE2-SG 3.49Å; E105-K121 WeakPolarHBondContact OE1-CD 3.37Å; E105-K121 WeakPolarHBondContact OE1-CE 3.38Å; E105-K121 IonicContact OE1-NZ 2.81Å; E105-K121 PolarHBondContact OE1-NZ 2.64Å | ||
| 106 | T | 86.7 | Confident | 79 | Confident | 67 Ų | 67 | 105.7 Ų | 105.7 | 41% | 0.411 | 56% | 0.563 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -132.1 | 143.8 | -176.4 | -44.6 | 0 | 0 | 0 | 0 | 109.9 | S95 K96 T97 T104 | S95-T106 WeakPolarHBondContact O-CG2 3.48Å; K96-T106 CarbonylContact O-C 3.48Å; K96-T106 VanDerWaalsContact O-CA 3.3Å; K96-T106 WeakPolarHBondContact O-CA 3.3Å; K96-T106 WeakPolarHBondContact O-CG2 3.42Å; T97-T106 HydrophobicContact CG2-CG2 3.78Å; T104-T106 PolarHBondContact O-OG1 3.08Å |
| 107 | T | 83.5 | Confident | 79.3 | Confident | 30 Ų | 30 | 107 Ų | 107 | 18% | 0.184 | 57% | 0.566 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -123.7 | 131 | 177.1 | -166.2 | 0 | 0 | 0 | 0 | 112.3 | S95 K96 W117 | S95-T107 CarbonylContact C-O 3.42Å; S95-T107 WeakPolarHBondContact CA-O 3.22Å; K96-T107 HydrophobicContact CB-CG2 3.98Å; K96-T107 PolarHBondContact N-O 3.48Å; K96-T107 PolarHBondContact O-N 3.14Å; T107-W117 HydrophobicContact CG2-CD2 3.41Å; T107-W117 VanDerWaalsContact CG2-CD2 3.41Å; T107-W117 HydrophobicContact CG2-CE3 3.89Å; T107-W117 HydrophobicContact CG2-CG 3.69Å; T107-W117 HydrophobicContact CG2-CH2 4.21Å; T107-W117 HydrophobicContact CG2-CZ2 3.79Å; T107-W117 HydrophobicContact CG2-CZ3 4.26Å |
| 108 | T | 73.1 | Confident | 79.5 | Confident | 91 Ų | 91 | 105.8 Ų | 105.8 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | trans | -95.2 | -2.9 | -178 | -44.1 | 0 | 0 | 0 | 0 | 112.7 | N93 S95 V110 | N93-T108 HydrophobicContact CB-CG2 4.45Å; S95-T108 PolarHBondContact OG-OG1 3Å; S95-T108 VanDerWaalsContact OG-OG1 3.12Å; T108-V110 PolarHBondContact O-N 3.37Å | ||
| 109 | Q | 67.9 | Low | 79.5 | Confident | 163 Ų | 163 | 105.5 Ų | 105.5 | 76% | 0.762 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -72.3 | 132.9 | 179.9 | -72.2 | -163.9 | 20.4 | 0 | 0 | 111.6 | A111 | Q109-A111 VanDerWaalsContact C-N 3.31Å; Q109-A111 WeakPolarHBondContact O-CB 3.33Å; Q109-A111 PolarHBondContact O-N 3.01Å |
| 110 | V | 58.9 | Low | 79.6 | Confident | 159 Ų | 159 | 109.1 Ų | 109.1 | 96% | 0.964 | 56% | 0.562 | S | S | * | * | trans | -53 | 88.7 | -179.8 | -174.2 | 0 | 0 | 0 | 0 | 110.4 | T108 | T108-V110 PolarHBondContact O-N 3.37Š| ||
| 111 | A | 59.7 | Low | 79.8 | Confident | 40 Ų | 40 | 111 Ų | 111 | 33% | 0.331 | 57% | 0.572 | S | S | . | * | trans | -98.4 | 126.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | K96 Q109 Q113 | K96-A111 HydrophobicContact CD-CB 3.94Å; K96-A111 PolarHBondContact NZ-O 3.41Å; Q109-A111 VanDerWaalsContact C-N 3.31Å; Q109-A111 WeakPolarHBondContact O-CB 3.33Å; Q109-A111 PolarHBondContact O-N 3.01Å; A111-Q113 PolarHBondContact O-N 2.95Å; A111-Q113 VanDerWaalsContact O-N 3.14Å | ||
| 112 | K | 62.8 | Low | 80.2 | Confident | 196 Ų | 196 | 105.2 Ų | 105.2 | 85% | 0.852 | 54% | 0.54 | S | S | * | . | trans | -34 | 116.8 | 170.3 | -151.9 | 164.6 | -173.3 | 167 | 0 | 110.6 | R114 | K112-R114 PolarHBondContact O-N 2.91Š| ||
| 113 | Q | 66.3 | Low | 80.5 | Confident | 188 Ų | 188 | 107.5 Ų | 107.5 | 88% | 0.879 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -17.3 | -164.4 | -113.7 | -169.9 | -30.6 | 0 | 0 | 115.6 | A111 | A111-Q113 PolarHBondContact O-N 2.95Å; A111-Q113 VanDerWaalsContact O-N 3.14Å |
| 114 | R | 69.6 | Low | 80.7 | Confident | 238 Ų | 238 | 110.2 Ų | 110.2 | 90% | 0.898 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.4 | -1.9 | -165.4 | -69 | -168.7 | 159.5 | -169.1 | -5.7 | 116.7 | K112 | K112-R114 PolarHBondContact O-N 2.91Š|
| 115 | K | 78.8 | Confident | 81.2 | Confident | 172 Ų | 172 | 107.9 Ų | 107.9 | 75% | 0.748 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -131 | 129.9 | -179.5 | -68.8 | 176.4 | 178.5 | 179.3 | 0 | 111.5 | W117 | K115-W117 PolarHBondContact O-N 3.14Š|
| 116 | P | 82.4 | Confident | 81.3 | Confident | 103 Ų | 103 | 108 Ų | 108 | 67% | 0.669 | 52% | 0.517 | S | S | * | . | trans | -55.9 | 136.7 | 169.6 | -23.4 | 33.1 | 0 | 0 | 0 | 110.8 | T99 | T99-P116 HydrophobicContact CG2-CB 4.22Å; T99-P116 VanDerWaalsContact OG1-CB 3.31Å; T99-P116 WeakPolarHBondContact OG1-CB 3.49Å | ||
| 117 | W | 85.4 | Confident | 81.7 | Confident | 70 Ų | 70 | 110.9 Ų | 110.9 | 27% | 0.265 | 52% | 0.522 | S | S | . | . | trans | -86.4 | 135.5 | 178.7 | -178.8 | 83 | 0 | 0 | 0 | 110 | K96 C98 T99 E105 T107 K115 C119 | K96-W117 HydrophobicContact CB-CB 4.05Å; K96-W117 HydrophobicContact CD-CB 4.19Å; C98-W117 WeakPolarHBondContact CA-O 3.34Å; C98-W117 HydrophobicContact CB-CE3 4.15Å; C98-W117 HydrophobicContact CB-CZ3 3.83Å; T99-W117 PolarHBondContact N-O 2.96Å; T99-W117 PolarHBondContact OG1-O 3.16Å; E105-W117 HydrophobicContact CB-CH2 4.4Å; E105-W117 HydrophobicContact CB-CZ3 4.5Å; E105-W117 WeakPolarHBondContact O-CZ3 3.28Å; T107-W117 HydrophobicContact CG2-CD2 3.41Å; T107-W117 VanDerWaalsContact CG2-CD2 3.41Å; T107-W117 HydrophobicContact CG2-CE3 3.89Å; T107-W117 HydrophobicContact CG2-CG 3.69Å; T107-W117 HydrophobicContact CG2-CH2 4.21Å; T107-W117 HydrophobicContact CG2-CZ2 3.79Å; T107-W117 HydrophobicContact CG2-CZ3 4.26Å; K115-W117 PolarHBondContact O-N 3.14Å; W117-C119 HydrophobicContact CH2-CB 3.49Å; W117-C119 VanDerWaalsContact CH2-CB 3.49Å; W117-C119 HydrophobicContact CZ2-CB 4.04Å; W117-C119 HydrophobicContact CZ3-CB 3.86Å | ||
| 118 | M | 88.8 | Confident | 82.3 | Confident | 64 Ų | 64 | 116.4 Ų | 116.4 | 32% | 0.315 | 54% | 0.543 | S | S | . | . | trans | -119.5 | 135.8 | 168.3 | -68.9 | -171.8 | -69.1 | 0 | 0 | 107.9 | R123 | M118-R123 HydrophobicContact CB-CB 4.46Š| ||
| 119 | C | 90.8 | Very high | 83.3 | Confident | 0 Ų | 0 | 115.4 Ų | 115.4 | 0% | 0 | 53% | 0.534 | C | S | . | . | trans | -63.5 | 161.5 | 176.5 | 75.1 | 0 | 0 | 0 | 0 | 112 | C98 E105 W117 K121 H122 R123 | C98-C119 HydrophobicContact CB-CB 4Å; C98-C119 PolarHBondContact SG-N 3.46Å; C98-C119 VanDerWaalsContact SG-N 3.36Å; E105-C119 HydrophobicContact CB-CB 3.91Å; E105-C119 WeakPolarHBondContact OE2-CB 3.27Å; E105-C119 PolarHBondContact OE2-SG 3.49Å; W117-C119 HydrophobicContact CH2-CB 3.49Å; W117-C119 VanDerWaalsContact CH2-CB 3.49Å; W117-C119 HydrophobicContact CZ2-CB 4.04Å; W117-C119 HydrophobicContact CZ3-CB 3.86Å; C119-K121 PolarHBondContact O-N 3.38Å; C119-H122 PolarHBondContact O-N 3.42Å; C119-H122 PolarHBondContact SG-N 3.44Å; C119-H122 VanDerWaalsContact SG-N 3.38Å; C119-H122 PolarHBondContact SG-ND1 2.8Å; C119-R123 VanDerWaalsContact O-CB 3.28Å; C119-R123 WeakPolarHBondContact O-CB 3.32Å; C119-R123 PolarHBondContact O-N 2.95Å | ||
| 120 | K | 91.8 | Very high | 84.5 | Confident | 166 Ų | 166 | 114.4 Ų | 114.4 | 72% | 0.722 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -57.9 | -37.7 | -178.7 | -171.4 | 173.1 | -177.8 | 177.8 | 0 | 111.7 | N124 | K120-N124 WeakPolarHBondContact O-CB 3.39Å; K120-N124 PolarHBondContact O-N 3.44Å; K120-N124 PolarHBondContact O-ND2 3.33Å |
| 121 | K | 93.3 | Very high | 86.2 | Confident | 141 Ų | 141 | 114.4 Ų | 114.4 | 61% | 0.613 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.8 | -50.9 | 177.9 | -69.2 | -173 | -169.3 | 146.8 | 0 | 112 | E105 C119 N124 K125 | E105-K121 WeakPolarHBondContact OE1-CD 3.37Å; E105-K121 WeakPolarHBondContact OE1-CE 3.38Å; E105-K121 IonicContact OE1-NZ 2.81Å; E105-K121 PolarHBondContact OE1-NZ 2.64Å; C119-K121 PolarHBondContact O-N 3.38Å; K121-N124 PolarHBondContact O-N 3.07Å; K121-K125 WeakPolarHBondContact O-CB 3.4Å; K121-K125 PolarHBondContact O-N 2.92Å |
| 122 | H | 94 | Very high | 87.8 | Confident | 32 Ų | 32 | 119.2 Ų | 119.2 | 15% | 0.148 | 53% | 0.525 | C | S | . | . | H | α-helix | trans | -72.2 | -36 | -178.4 | -72.8 | 124.9 | 0 | 0 | 0 | 113.2 | C98 Y100 C103 C119 K125 M126 | C98-H122 PolarHBondContact SG-ND1 3.45Å; Y100-H122 VanDerWaalsContact CB-CG 3.49Å; Y100-H122 WeakPolarHBondContact CB-ND1 3.46Å; Y100-H122 AromaticContact CD1-CD2 3.45Å; Y100-H122 VanDerWaalsContact CD1-CD2 3.45Å; Y100-H122 WeakPolarHBondContact CD1-CD2 3.24Å; Y100-H122 AromaticContact CD1-CE1 3.35Å; Y100-H122 WeakPolarHBondContact CD1-CE1 3.39Å; Y100-H122 AromaticContact CD1-CG 3.87Å; Y100-H122 AromaticContact CD1-ND1 3.8Å; Y100-H122 AromaticContact CD1-NE2 3.15Å; Y100-H122 WeakPolarHBondContact CD1-NE2 3.25Å; Y100-H122 HydrophobicContact CD2-CB 4.33Å; Y100-H122 AromaticContact CD2-CD2 3.71Å; Y100-H122 AromaticContact CD2-CG 3.94Å; Y100-H122 AromaticContact CE1-CD2 3.76Å; Y100-H122 AromaticContact CE1-NE2 3.42Å; Y100-H122 WeakPolarHBondContact CE1-NE2 3.37Å; Y100-H122 AromaticContact CE2-CD2 4Å; Y100-H122 HydrophobicContact CG-CB 4.22Å; Y100-H122 AromaticContact CG-CD2 3.42Å; Y100-H122 VanDerWaalsContact CG-CD2 3.42Å; Y100-H122 AromaticContact CG-CE1 3.74Å; Y100-H122 AromaticContact CG-CG 3.49Å; Y100-H122 VanDerWaalsContact CG-CG 3.49Å; Y100-H122 AromaticContact CG-ND1 3.68Å; Y100-H122 AromaticContact CG-NE2 3.64Å; C103-H122 WeakPolarHBondContact CB-CE1 3.31Å; C103-H122 PolarHBondContact SG-CE1 2.95Å; C103-H122 PolarHBondContact SG-ND1 2.86Å; C119-H122 PolarHBondContact O-N 3.42Å; C119-H122 PolarHBondContact SG-N 3.44Å; C119-H122 VanDerWaalsContact SG-N 3.38Å; C119-H122 PolarHBondContact SG-ND1 2.8Å; H122-K125 PolarHBondContact O-N 3.33Å; H122-M126 WeakPolarHBondContact O-CB 3.44Å; H122-M126 PolarHBondContact O-N 3.06Å |
| 123 | R | 92.8 | Very high | 89.3 | Confident | 125 Ų | 125 | 115.7 Ų | 115.7 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.3 | -46.2 | 170.6 | 179.9 | 173.2 | -93.5 | -165.4 | -3.5 | 110.8 | M118 C119 Y127 | M118-R123 HydrophobicContact CB-CB 4.46Å; C119-R123 VanDerWaalsContact O-CB 3.28Å; C119-R123 WeakPolarHBondContact O-CB 3.32Å; C119-R123 PolarHBondContact O-N 2.95Å; R123-Y127 HydrophobicContact CG-CD2 3.95Å; R123-Y127 HydrophobicContact CG-CE2 3.34Å; R123-Y127 WeakPolarHBondContact O-CD2 3.48Å; R123-Y127 PolarHBondContact O-N 2.8Å |
| 124 | N | 94.4 | Very high | 90.6 | Very high | 78 Ų | 78 | 114.1 Ų | 114.1 | 42% | 0.417 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.8 | -39.4 | 176.4 | -74.4 | -6.2 | 0 | 0 | 0 | 113.3 | K120 K121 Y127 K128 | K120-N124 WeakPolarHBondContact O-CB 3.39Å; K120-N124 PolarHBondContact O-N 3.44Å; K120-N124 PolarHBondContact O-ND2 3.33Å; K121-N124 PolarHBondContact O-N 3.07Å; N124-Y127 PolarHBondContact O-N 3.45Å; N124-K128 PolarHBondContact O-N 3.31Å |
| 125 | K | 94.3 | Very high | 91.6 | Very high | 86 Ų | 86 | 109 Ų | 109 | 37% | 0.374 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -51.6 | 175.6 | 177.9 | 171.6 | -178.7 | -75.3 | 0 | 110.3 | Y100 K121 H122 Y127 K128 D129 | Y100-K125 PolarHBondContact OH-NZ 2.72Å; K121-K125 WeakPolarHBondContact O-CB 3.4Å; K121-K125 PolarHBondContact O-N 2.92Å; H122-K125 PolarHBondContact O-N 3.33Å; K125-Y127 VanDerWaalsContact C-N 3.28Å; K125-Y127 PolarHBondContact O-N 3.02Å; K125-K128 PolarHBondContact O-N 3.37Å; K125-K128 VanDerWaalsContact O-N 3.13Å; K125-D129 WeakPolarHBondContact CG-OD2 3.32Å; K125-D129 IonicContact NZ-OD2 3.32Å; K125-D129 PolarHBondContact NZ-OD2 2.82Å; K125-D129 WeakPolarHBondContact O-CB 3.27Å; K125-D129 PolarHBondContact O-N 3.4Å |
| 126 | M | 92.9 | Very high | 92.1 | Very high | 58 Ų | 58 | 104 Ų | 104 | 29% | 0.286 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -39.3 | 176.7 | 178.4 | -123.4 | 38 | 0 | 0 | 111.8 | H122 D129 K130 | H122-M126 WeakPolarHBondContact O-CB 3.44Å; H122-M126 PolarHBondContact O-N 3.06Å; M126-D129 PolarHBondContact O-N 3.4Å; M126-K130 WeakPolarHBondContact O-CB 3.44Å; M126-K130 WeakPolarHBondContact O-CG 3.28Å; M126-K130 PolarHBondContact O-N 2.82Å; M126-K130 HydrophobicContact SD-CD 4.46Å |
| 127 | Y | 94.3 | Very high | 92.2 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 50% | 0.502 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -63.7 | -46.2 | 174.7 | -72.5 | -48.4 | 0 | 0 | 0 | 112.4 | R123 N124 K125 K130 Y131 | R123-Y127 HydrophobicContact CG-CD2 3.95Å; R123-Y127 HydrophobicContact CG-CE2 3.34Å; R123-Y127 WeakPolarHBondContact O-CD2 3.48Å; R123-Y127 PolarHBondContact O-N 2.8Å; N124-Y127 PolarHBondContact O-N 3.45Å; K125-Y127 VanDerWaalsContact C-N 3.28Å; K125-Y127 PolarHBondContact O-N 3.02Å; Y127-K130 PolarHBondContact O-N 2.92Å; Y127-Y131 WeakPolarHBondContact O-CB 3.39Å; Y127-Y131 PolarHBondContact O-N 2.95Å |
| 128 | K | 95.3 | Very high | 92.2 | Very high | 147 Ų | 147 | 105 Ų | 105 | 64% | 0.639 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -64.5 | -41 | 177.2 | -76 | -169.5 | 176.2 | -172.4 | 0 | 112.1 | N124 K125 Y131 K132 | N124-K128 PolarHBondContact O-N 3.31Å; K125-K128 PolarHBondContact O-N 3.37Å; K125-K128 VanDerWaalsContact O-N 3.13Å; K128-Y131 PolarHBondContact O-N 3.36Å; K128-K132 WeakPolarHBondContact O-CB 3.21Å; K128-K132 WeakPolarHBondContact O-CG 3.37Å; K128-K132 PolarHBondContact O-N 3.46Å |
| 129 | D | 94.6 | Very high | 91.6 | Very high | 69 Ų | 69 | 105.5 Ų | 105.5 | 37% | 0.369 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.4 | -44.3 | 179 | -69.1 | -12.8 | 0 | 0 | 0 | 110.1 | K125 M126 Y131 K132 K133 | K125-D129 WeakPolarHBondContact CG-OD2 3.32Å; K125-D129 IonicContact NZ-OD2 3.32Å; K125-D129 PolarHBondContact NZ-OD2 2.82Å; K125-D129 WeakPolarHBondContact O-CB 3.27Å; K125-D129 PolarHBondContact O-N 3.4Å; M126-D129 PolarHBondContact O-N 3.4Å; D129-Y131 VanDerWaalsContact C-N 3.34Å; D129-Y131 PolarHBondContact O-N 2.87Å; D129-K132 PolarHBondContact O-N 3.35Å; D129-K133 WeakPolarHBondContact O-CB 3.44Å; D129-K133 PolarHBondContact O-N 2.88Å |
| 130 | K | 93.3 | Very high | 90.5 | Very high | 142 Ų | 142 | 112.5 Ų | 112.5 | 62% | 0.617 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -60.8 | -40.7 | 172.6 | -78.7 | -167.5 | 177.6 | -170.2 | 0 | 112.6 | M126 Y127 K134 | M126-K130 WeakPolarHBondContact O-CB 3.44Å; M126-K130 WeakPolarHBondContact O-CG 3.28Å; M126-K130 PolarHBondContact O-N 2.82Å; M126-K130 HydrophobicContact SD-CD 4.46Å; Y127-K130 PolarHBondContact O-N 2.92Å; K130-K134 VanDerWaalsContact O-CB 3.24Å; K130-K134 WeakPolarHBondContact O-CB 3.29Å; K130-K134 PolarHBondContact O-N 2.88Å |
| 131 | Y | 94.4 | Very high | 89 | Confident | 159 Ų | 159 | 108.8 Ų | 108.8 | 62% | 0.624 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -65.9 | -47.6 | 177.1 | 179.4 | -99.6 | 0 | 0 | 0 | 112 | Y127 K128 D129 K134 K135 | Y127-Y131 WeakPolarHBondContact O-CB 3.39Å; Y127-Y131 PolarHBondContact O-N 2.95Å; K128-Y131 PolarHBondContact O-N 3.36Å; D129-Y131 VanDerWaalsContact C-N 3.34Å; D129-Y131 PolarHBondContact O-N 2.87Å; Y131-K134 PolarHBondContact O-N 3.43Å; Y131-K135 WeakPolarHBondContact O-CB 3.24Å; Y131-K135 PolarHBondContact O-N 3.47Å |
| 132 | K | 94.4 | Very high | 87.3 | Confident | 142 Ų | 142 | 107 Ų | 107 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.5 | -43.9 | 176.2 | -75.5 | -179.1 | 176.9 | -175.4 | 0 | 111.4 | K128 D129 K135 S136 | K128-K132 WeakPolarHBondContact O-CB 3.21Å; K128-K132 WeakPolarHBondContact O-CG 3.37Å; K128-K132 PolarHBondContact O-N 3.46Å; D129-K132 PolarHBondContact O-N 3.35Å; K132-K135 PolarHBondContact O-N 3.28Å; K132-S136 WeakPolarHBondContact O-CB 3.47Å; K132-S136 PolarHBondContact O-N 3.44Å |
| 133 | K | 93.3 | Very high | 85.5 | Confident | 122 Ų | 122 | 108.5 Ų | 108.5 | 53% | 0.53 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 175.8 | -177.5 | 60.8 | 175.7 | 147 | 0 | 110.7 | D129 K135 S136 D137 | D129-K133 WeakPolarHBondContact O-CB 3.44Å; D129-K133 PolarHBondContact O-N 2.88Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 2.85Å; K133-S136 PolarHBondContact O-N 2.98Å; K133-D137 WeakPolarHBondContact CD-OD2 3.24Å; K133-D137 WeakPolarHBondContact CE-OD2 3.39Å; K133-D137 WeakPolarHBondContact CG-OD2 3.25Å; K133-D137 IonicContact NZ-OD1 2.79Å; K133-D137 PolarHBondContact NZ-OD1 3.43Å; K133-D137 IonicContact NZ-OD2 3.32Å; K133-D137 PolarHBondContact NZ-OD2 3.36Å; K133-D137 WeakPolarHBondContact O-CB 2.91Å; K133-D137 PolarHBondContact O-N 3.45Å |
| 134 | K | 92.9 | Very high | 83.1 | Confident | 155 Ų | 155 | 111.1 Ų | 111.1 | 67% | 0.674 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -60.9 | -39.8 | 175.3 | -176.7 | 168.6 | -179.8 | 172.6 | 0 | 112.7 | K130 Y131 Q138 | K130-K134 VanDerWaalsContact O-CB 3.24Å; K130-K134 WeakPolarHBondContact O-CB 3.29Å; K130-K134 PolarHBondContact O-N 2.88Å; Y131-K134 PolarHBondContact O-N 3.43Å; K134-Q138 VanDerWaalsContact O-CB 3.25Å; K134-Q138 WeakPolarHBondContact O-CB 3.36Å; K134-Q138 PolarHBondContact O-N 2.86Å |
| 135 | K | 91.5 | Very high | 81 | Confident | 131 Ų | 131 | 116.3 Ų | 116.3 | 57% | 0.57 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -68.2 | -40.1 | 176.3 | -171.1 | 174.9 | -178.9 | 179.6 | 0 | 112 | Y131 K132 K133 A139 | Y131-K135 WeakPolarHBondContact O-CB 3.24Å; Y131-K135 PolarHBondContact O-N 3.47Å; K132-K135 PolarHBondContact O-N 3.28Å; K133-K135 VanDerWaalsContact C-N 3.34Å; K133-K135 PolarHBondContact O-N 2.85Å; K135-A139 PolarHBondContact O-N 3.44Å |
| 136 | S | 89.3 | Confident | 78.8 | Confident | 66 Ų | 66 | 118.7 Ų | 118.7 | 46% | 0.462 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -66.6 | -47.5 | 174.8 | -175.1 | 0 | 0 | 0 | 0 | 111.3 | K132 K133 Q138 A139 M140 | K132-S136 WeakPolarHBondContact O-CB 3.47Å; K132-S136 PolarHBondContact O-N 3.44Å; K133-S136 PolarHBondContact O-N 2.98Å; S136-Q138 VanDerWaalsContact C-N 3.27Å; S136-Q138 PolarHBondContact O-N 2.79Å; S136-A139 WeakPolarHBondContact O-CB 3.4Å; S136-A139 PolarHBondContact O-N 3.2Å; S136-A139 VanDerWaalsContact O-N 3.07Å; S136-M140 WeakPolarHBondContact O-CG 3.42Å; S136-M140 PolarHBondContact O-N 3.17Å |
| 137 | D | 85.3 | Confident | 76.6 | Confident | 63 Ų | 63 | 124.5 Ų | 124.5 | 34% | 0.337 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -66.2 | -32.2 | 178.7 | -65.7 | -22.9 | 0 | 0 | 0 | 110.3 | K133 A139 M140 S141 | K133-D137 WeakPolarHBondContact CD-OD2 3.24Å; K133-D137 WeakPolarHBondContact CE-OD2 3.39Å; K133-D137 WeakPolarHBondContact CG-OD2 3.25Å; K133-D137 IonicContact NZ-OD1 2.79Å; K133-D137 PolarHBondContact NZ-OD1 3.43Å; K133-D137 IonicContact NZ-OD2 3.32Å; K133-D137 PolarHBondContact NZ-OD2 3.36Å; K133-D137 WeakPolarHBondContact O-CB 2.91Å; K133-D137 PolarHBondContact O-N 3.45Å; D137-A139 VanDerWaalsContact C-N 3.31Å; D137-A139 PolarHBondContact O-N 3.32Å; D137-M140 PolarHBondContact O-N 2.89Å; D137-S141 WeakPolarHBondContact O-CA 3.42Å; D137-S141 WeakPolarHBondContact O-CB 3.16Å; D137-S141 PolarHBondContact O-N 3.43Å |
| 138 | Q | 85.3 | Confident | 74.1 | Confident | 131 Ų | 131 | 124.3 Ų | 124.3 | 61% | 0.612 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -61.3 | -39 | 170.6 | 178.2 | 176.3 | 70.1 | 0 | 0 | 112.3 | K134 S136 S142 | K134-Q138 VanDerWaalsContact O-CB 3.25Å; K134-Q138 WeakPolarHBondContact O-CB 3.36Å; K134-Q138 PolarHBondContact O-N 2.86Å; S136-Q138 VanDerWaalsContact C-N 3.27Å; S136-Q138 PolarHBondContact O-N 2.79Å; Q138-S142 PolarHBondContact O-N 3.28Å; Q138-S142 PolarHBondContact O-OG 2.9Å |
| 139 | A | 75.1 | Confident | 71.8 | Confident | 75 Ų | 75 | 125.6 Ų | 125.6 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.7 | -32 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | K135 S136 D137 | K135-A139 PolarHBondContact O-N 3.44Å; S136-A139 WeakPolarHBondContact O-CB 3.4Å; S136-A139 PolarHBondContact O-N 3.2Å; S136-A139 VanDerWaalsContact O-N 3.07Å; D137-A139 VanDerWaalsContact C-N 3.31Å; D137-A139 PolarHBondContact O-N 3.32Å |
| 140 | M | 68.4 | Low | 69.4 | Low | 147 Ų | 147 | 130.1 Ų | 130.1 | 72% | 0.724 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -94.6 | -23.7 | -177.8 | -55.2 | -56 | -79.2 | 0 | 0 | 114 | S136 D137 | S136-M140 WeakPolarHBondContact O-CG 3.42Å; S136-M140 PolarHBondContact O-N 3.17Å; D137-M140 PolarHBondContact O-N 2.89Å |
| 141 | S | 60 | Low | 66.9 | Low | 88 Ų | 88 | 132.8 Ų | 132.8 | 62% | 0.615 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -86.5 | -13.8 | -180 | 176.8 | 0 | 0 | 0 | 0 | 112.7 | D137 G143 | D137-S141 WeakPolarHBondContact O-CA 3.42Å; D137-S141 WeakPolarHBondContact O-CB 3.16Å; D137-S141 PolarHBondContact O-N 3.43Å; S141-G143 PolarHBondContact O-N 3.13Å |
| 142 | S | 58.1 | Low | 64.1 | Low | 104 Ų | 104 | 135.6 Ų | 135.6 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | 5.7 | 173.3 | -58.8 | 0 | 0 | 0 | 0 | 112.9 | Q138 | Q138-S142 PolarHBondContact O-N 3.28Å; Q138-S142 PolarHBondContact O-OG 2.9Å |
| 143 | G | 55.9 | Low | 61.8 | Low | 62 Ų | 62 | 134.4 Ų | 134.4 | 64% | 0.639 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -124.2 | -12.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | S141 | S141-G143 PolarHBondContact O-N 3.13Š|
| 144 | K | 42.6 | Very low | 59.4 | Low | 180 Ų | 180 | 134.3 Ų | 134.3 | 78% | 0.783 | 71% | 0.714 | S | S | * | * | trans | -147.8 | 98.6 | -177.9 | -63.3 | -168.1 | 177.8 | -168.3 | 0 | 111.6 | ||||
| 145 | Q | 48.9 | Very low | 57.1 | Low | 188 Ų | 188 | 132.2 Ų | 132.2 | 88% | 0.879 | 72% | 0.719 | S | S | * | * | trans | -72.8 | 149 | 152.7 | -148.6 | -177.5 | -25.2 | 0 | 0 | 107.6 | ||||
| 146 | D | 48.6 | Very low | 55 | Low | 135 Ų | 135 | 132 Ų | 132 | 72% | 0.722 | 73% | 0.728 | S | S | * | * | trans | 69.3 | 129.2 | 179.9 | -120.5 | -124.1 | 0 | 0 | 0 | 111 | ||||
| 147 | E | 47.5 | Very low | 52.5 | Low | 180 Ų | 180 | 136.1 Ų | 136.1 | 84% | 0.841 | 75% | 0.745 | S | S | * | * | -165.5 | 99.1 | 65 | -44.3 | -170.5 | 122.3 | 0 | 0 | 106.8 | |||||
| 148 | S | 40.6 | Very low | 51.3 | Low | 124 Ų | 124 | 142.1 Ų | 142.1 | 87% | 0.867 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -160.9 | 44.8 | 170.3 | -155 | 0 | 0 | 0 | 0 | 112.3 | ||
| 149 | L | 47.8 | Very low | 49.5 | Very low | 174 Ų | 174 | 144.7 Ų | 144.7 | 91% | 0.911 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -152 | 18 | 167.2 | -151.5 | 105.9 | 0 | 0 | 0 | 114.8 | ||
| 150 | E | 44.3 | Very low | 48.1 | Very low | 164 Ų | 164 | 151.9 Ų | 151.9 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | trans | -116.6 | 85 | 176.2 | -150.3 | -155.9 | 175.4 | 0 | 0 | 111.8 | ||||
| 151 | E | 40.7 | Very low | 47.3 | Very low | 198 Ų | 198 | 153.1 Ų | 153.1 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | trans | -130.9 | 68 | 152.7 | -160.3 | -177.3 | 162.8 | 0 | 0 | 109 | ||||
| 152 | R | 36.3 | Very low | 46.6 | Very low | 218 Ų | 218 | 151.1 Ų | 151.1 | 82% | 0.823 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -155.5 | 117.8 | 152.9 | -149 | 172.8 | 174.3 | 79.5 | 1.7 | 111.6 | V154 | R152-V154 PolarHBondContact O-N 3.12Š|
| 153 | P | 45.4 | Very low | 46 | Very low | 118 Ų | 118 | 153.3 Ų | 153.3 | 77% | 0.766 | 80% | 0.802 | S | S | * | * | trans | -77.8 | 122.7 | -168.6 | 27.3 | -33.1 | 0 | 0 | 0 | 114.9 | ||||
| 154 | V | 43.6 | Very low | 45.8 | Very low | 120 Ų | 120 | 156.4 Ų | 156.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | 38.5 | 103 | 128.8 | -162.3 | 0 | 0 | 0 | 0 | 119.1 | R152 | R152-V154 PolarHBondContact O-N 3.12Š| |||
| 155 | S | 44.5 | Very low | 46.3 | Very low | 111 Ų | 111 | 151.2 Ų | 151.2 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -105.9 | 98.3 | 153.3 | 163 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 156 | V | 46.5 | Very low | 46.5 | Very low | 125 Ų | 125 | 149.3 Ų | 149.3 | 76% | 0.758 | 80% | 0.802 | S | S | * | * | trans | 5.2 | 108.3 | 148.3 | -71.3 | 0 | 0 | 0 | 0 | 118 | ||||
| 157 | N | 37.4 | Very low | 47 | Very low | 154 Ų | 154 | 153.5 Ų | 153.5 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | -165.4 | 132.6 | 123.4 | -152.9 | -17.7 | 0 | 0 | 0 | 111 | Q159 | N157-Q159 PolarHBondContact O-N 3.14Š| |||
| 158 | K | 58.7 | Low | 47.6 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 82% | 0.817 | 79% | 0.793 | S | S | * | * | trans | -56.1 | 127 | 163.8 | -97.7 | 171.5 | 157.4 | 175.5 | 0 | 108.4 | ||||
| 159 | Q | 48.8 | Very low | 48.9 | Very low | 186 Ų | 186 | 147.8 Ų | 147.8 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | 176.8 | 144.9 | 126.2 | -99.7 | 178.5 | -29.1 | 0 | 0 | 111.7 | N157 | N157-Q159 PolarHBondContact O-N 3.14Š| |||
| 160 | R | 44.8 | Very low | 50 | Low | 225 Ų | 225 | 149.8 Ų | 149.8 | 85% | 0.849 | 79% | 0.787 | S | S | * | * | trans | 94.1 | 106.4 | 150.1 | -126.2 | 164.7 | 177.4 | -91.2 | -0.3 | 117 | G162 | R160-G162 PolarHBondContact O-N 2.94Š| ||
| 161 | L | 51.3 | Low | 51.6 | Low | 173 Ų | 173 | 144.8 Ų | 144.8 | 91% | 0.906 | 77% | 0.769 | S | S | * | * | trans | -39.5 | 131.7 | 149.5 | -81.3 | 75.8 | 0 | 0 | 0 | 110.1 | ||||
| 162 | G | 45.8 | Very low | 54 | Low | 47 Ų | 47 | 138.5 Ų | 138.5 | 49% | 0.485 | 75% | 0.747 | S | S | . | * | trans | 129 | 90 | 169 | 0 | 0 | 0 | 0 | 0 | 111.9 | R160 V164 | R160-G162 PolarHBondContact O-N 2.94Å; G162-V164 PolarHBondContact O-N 2.76Å | ||
| 163 | T | 45 | Very low | 56.8 | Low | 149 Ų | 149 | 134 Ų | 134 | 91% | 0.914 | 74% | 0.739 | S | S | * | * | trans | -68.1 | 62.5 | 151.8 | 58.8 | 0 | 0 | 0 | 0 | 108.2 | G165 | T163-G165 PolarHBondContact O-N 3.45Š| ||
| 164 | V | 51.9 | Low | 59.1 | Low | 128 Ų | 128 | 134.3 Ų | 134.3 | 78% | 0.776 | 73% | 0.733 | S | S | * | * | trans | -93.2 | 35.7 | 175.5 | -66.9 | 0 | 0 | 0 | 0 | 110.3 | G162 | G162-V164 PolarHBondContact O-N 2.76Š| ||
| 165 | G | 54.7 | Low | 61.5 | Low | 71 Ų | 71 | 132.9 Ų | 132.9 | 73% | 0.732 | 72% | 0.718 | S | S | * | * | trans | -114 | -13.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | T163 R167 | T163-G165 PolarHBondContact O-N 3.45Å; G165-R167 PolarHBondContact O-N 3.5Å | ||
| 166 | D | 52 | Low | 64 | Low | 147 Ų | 147 | 132.2 Ų | 132.2 | 79% | 0.786 | 70% | 0.703 | S | S | * | * | trans | -100.5 | 69.1 | 175.7 | -166.8 | 41.4 | 0 | 0 | 0 | 110.2 | P168 | D166-P168 VanDerWaalsContact O-CD 3.29Å; D166-P168 WeakPolarHBondContact O-CD 3.36Å | ||
| 167 | R | 60 | Low | 66.4 | Low | 223 Ų | 223 | 129.4 Ų | 129.4 | 84% | 0.842 | 69% | 0.685 | S | S | * | * | trans | -101.6 | 98 | 166.9 | -167 | 173.9 | -173.6 | -141.5 | 1.3 | 107.7 | G165 A169 | G165-R167 PolarHBondContact O-N 3.5Å; R167-A169 PolarHBondContact O-N 2.85Å; R167-A169 VanDerWaalsContact O-N 3.07Å | ||
| 168 | P | 58.9 | Low | 69.2 | Low | 81 Ų | 81 | 126.3 Ų | 126.3 | 53% | 0.526 | 67% | 0.668 | S | S | . | * | trans | -57.2 | 121.1 | 161.3 | 23.1 | -30.2 | 0 | 0 | 0 | 106.9 | D166 R170 | D166-P168 VanDerWaalsContact O-CD 3.29Å; D166-P168 WeakPolarHBondContact O-CD 3.36Å; P168-R170 PolarHBondContact O-N 3.35Å | ||
| 169 | A | 67.9 | Low | 71 | Confident | 103 Ų | 103 | 120.1 Ų | 120.1 | 85% | 0.851 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -59.8 | 0.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | R167 | R167-A169 PolarHBondContact O-N 2.85Å; R167-A169 VanDerWaalsContact O-N 3.07Å |
| 170 | R | 71.6 | Confident | 73.3 | Confident | 216 Ų | 216 | 117.2 Ų | 117.2 | 82% | 0.815 | 63% | 0.631 | S | S | * | * | S | Bend | trans | -131.1 | 124.1 | 171 | -78.1 | -175.1 | 164.1 | -144.3 | -3.4 | 110.2 | P168 S172 | P168-R170 PolarHBondContact O-N 3.35Å; R170-S172 PolarHBondContact O-N 2.87Å |
| 171 | P | 78.4 | Confident | 75.8 | Confident | 59 Ų | 59 | 113.2 Ų | 113.2 | 38% | 0.383 | 62% | 0.62 | S | S | . | * | trans | -62.7 | 135.2 | 173.3 | 25.8 | -31.6 | 0 | 0 | 0 | 109.3 | E175 Q176 | P171-E175 WeakPolarHBondContact CA-OE2 3.32Å; P171-E175 HydrophobicContact CB-CB 4.31Å; P171-E175 HydrophobicContact CB-CG 4.18Å; P171-Q176 HydrophobicContact CB-CG 4.03Å; P171-Q176 HydrophobicContact CG-CG 3.89Å; P171-Q176 PolarHBondContact O-NE2 3.4Å | ||
| 172 | S | 91.3 | Very high | 78 | Confident | 67 Ų | 67 | 112.4 Ų | 112.4 | 47% | 0.469 | 60% | 0.604 | S | S | . | * | trans | -58.3 | 153.4 | 174 | 173.6 | 0 | 0 | 0 | 0 | 110.4 | R170 I174 E175 Q176 | R170-S172 PolarHBondContact O-N 2.87Å; S172-I174 PolarHBondContact O-N 3.32Å; S172-E175 WeakPolarHBondContact O-CA 3.46Å; S172-E175 WeakPolarHBondContact O-CB 2.78Å; S172-E175 PolarHBondContact O-N 3.4Å; S172-Q176 WeakPolarHBondContact O-CG 3.5Å; S172-Q176 PolarHBondContact O-N 2.75Å | ||
| 173 | L | 93.9 | Very high | 80.4 | Confident | 124 Ų | 124 | 114 Ų | 114 | 65% | 0.649 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -52.8 | -39.1 | 175.7 | 179.7 | 61.7 | 0 | 0 | 0 | 112 | Q176 V177 | L173-Q176 WeakPolarHBondContact O-CB 3.24Å; L173-Q176 PolarHBondContact O-N 2.68Å; L173-V177 HydrophobicContact CD1-CG2 4.41Å; L173-V177 WeakPolarHBondContact O-CG2 3.49Å; L173-V177 PolarHBondContact O-N 3.46Å |
| 174 | I | 94.9 | Very high | 82.9 | Confident | 123 Ų | 123 | 110 Ų | 110 | 63% | 0.631 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -62.5 | -46.1 | 177.2 | -62.7 | 167.2 | 0 | 0 | 0 | 110.2 | S172 Q176 V177 L178 | S172-I174 PolarHBondContact O-N 3.32Å; I174-Q176 VanDerWaalsContact C-N 3.33Å; I174-Q176 PolarHBondContact O-N 3.07Å; I174-V177 PolarHBondContact O-N 3.09Å; I174-L178 HydrophobicContact CG2-CD1 3.94Å; I174-L178 HydrophobicContact CG2-CG 4.36Å; I174-L178 WeakPolarHBondContact O-CB 3.44Å; I174-L178 VanDerWaalsContact O-CG 3.24Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3.1Å |
| 175 | E | 94.1 | Very high | 85.1 | Confident | 91 Ų | 91 | 109 Ų | 109 | 43% | 0.425 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -64.5 | -39.2 | 178.5 | -174 | 179.8 | -179 | 0 | 0 | 111.6 | P171 S172 L178 N179 | P171-E175 WeakPolarHBondContact CA-OE2 3.32Å; P171-E175 HydrophobicContact CB-CB 4.31Å; P171-E175 HydrophobicContact CB-CG 4.18Å; S172-E175 WeakPolarHBondContact O-CA 3.46Å; S172-E175 WeakPolarHBondContact O-CB 2.78Å; S172-E175 PolarHBondContact O-N 3.4Å; E175-L178 PolarHBondContact O-N 2.93Å; E175-N179 VanDerWaalsContact O-CB 3.28Å; E175-N179 WeakPolarHBondContact O-CB 3.47Å; E175-N179 VanDerWaalsContact O-CG 3.28Å; E175-N179 PolarHBondContact O-N 3.23Å; E175-N179 PolarHBondContact O-ND2 3.43Å |
| 176 | Q | 96 | Very high | 87 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -48 | 174.3 | -67.7 | 174.3 | 10.5 | 0 | 0 | 111.4 | P171 S172 L173 I174 N179 Q180 | P171-Q176 HydrophobicContact CB-CG 4.03Å; P171-Q176 HydrophobicContact CG-CG 3.89Å; P171-Q176 PolarHBondContact O-NE2 3.4Å; S172-Q176 WeakPolarHBondContact O-CG 3.5Å; S172-Q176 PolarHBondContact O-N 2.75Å; L173-Q176 WeakPolarHBondContact O-CB 3.24Å; L173-Q176 PolarHBondContact O-N 2.68Å; I174-Q176 VanDerWaalsContact C-N 3.33Å; I174-Q176 PolarHBondContact O-N 3.07Å; Q176-N179 PolarHBondContact O-N 3.26Å; Q176-Q180 VanDerWaalsContact O-CB 3.32Å; Q176-Q180 WeakPolarHBondContact O-CB 3.02Å; Q176-Q180 PolarHBondContact O-N 2.79Å |
| 177 | V | 97.4 | Very high | 89.2 | Confident | 65 Ų | 65 | 111.4 Ų | 111.4 | 39% | 0.394 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -64.6 | -42.9 | 178.9 | 172.3 | 0 | 0 | 0 | 0 | 110.9 | L173 I174 Q180 K181 | L173-V177 HydrophobicContact CD1-CG2 4.41Å; L173-V177 WeakPolarHBondContact O-CG2 3.49Å; L173-V177 PolarHBondContact O-N 3.46Å; I174-V177 PolarHBondContact O-N 3.09Å; V177-Q180 PolarHBondContact O-N 2.91Å; V177-K181 HydrophobicContact CG1-CG 4.33Å; V177-K181 WeakPolarHBondContact O-CB 3.06Å; V177-K181 VanDerWaalsContact O-CG 3.27Å; V177-K181 WeakPolarHBondContact O-CG 3.28Å; V177-K181 PolarHBondContact O-N 2.99Å |
| 178 | L | 97 | Very high | 91 | Very high | 89 Ų | 89 | 102.5 Ų | 102.5 | 47% | 0.466 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 176.6 | -71.7 | 174.9 | 0 | 0 | 0 | 111.4 | I174 E175 K181 R182 | I174-L178 HydrophobicContact CG2-CD1 3.94Å; I174-L178 HydrophobicContact CG2-CG 4.36Å; I174-L178 WeakPolarHBondContact O-CB 3.44Å; I174-L178 VanDerWaalsContact O-CG 3.24Å; I174-L178 WeakPolarHBondContact O-CG 3.36Å; I174-L178 PolarHBondContact O-N 3.1Å; E175-L178 PolarHBondContact O-N 2.93Å; L178-K181 PolarHBondContact O-N 3.04Å; L178-R182 WeakPolarHBondContact O-CB 3.31Å; L178-R182 WeakPolarHBondContact O-CG 3.4Å; L178-R182 PolarHBondContact O-N 3.47Å |
| 179 | N | 95.6 | Very high | 92.8 | Very high | 59 Ų | 59 | 102.6 Ų | 102.6 | 32% | 0.316 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.2 | -39.7 | 177.8 | -74.9 | -26.5 | 0 | 0 | 0 | 111.7 | E175 Q176 R182 L183 | E175-N179 VanDerWaalsContact O-CB 3.28Å; E175-N179 WeakPolarHBondContact O-CB 3.47Å; E175-N179 VanDerWaalsContact O-CG 3.28Å; E175-N179 PolarHBondContact O-N 3.23Å; E175-N179 PolarHBondContact O-ND2 3.43Å; Q176-N179 PolarHBondContact O-N 3.26Å; N179-R182 PolarHBondContact O-N 2.75Å; N179-L183 WeakPolarHBondContact O-CB 3.44Å; N179-L183 WeakPolarHBondContact O-CG 3.39Å; N179-L183 PolarHBondContact O-N 3.31Å |
| 180 | Q | 97.3 | Very high | 94.2 | Very high | 124 Ų | 124 | 102.8 Ų | 102.8 | 58% | 0.579 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.6 | -50.2 | 173.2 | -174.2 | -172.8 | 66.8 | 0 | 0 | 110.7 | Q176 V177 R182 L183 S184 | Q176-Q180 VanDerWaalsContact O-CB 3.32Å; Q176-Q180 WeakPolarHBondContact O-CB 3.02Å; Q176-Q180 PolarHBondContact O-N 2.79Å; V177-Q180 PolarHBondContact O-N 2.91Å; Q180-R182 PolarHBondContact O-N 3.02Å; Q180-L183 PolarHBondContact O-N 3.3Å; Q180-S184 VanDerWaalsContact O-CB 3.31Å; Q180-S184 WeakPolarHBondContact O-CB 3.36Å; Q180-S184 PolarHBondContact O-N 3.47Å; Q180-S184 PolarHBondContact O-OG 2.92Å |
| 181 | K | 97.6 | Very high | 95.5 | Very high | 142 Ų | 142 | 94 Ų | 94 | 62% | 0.617 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.1 | -42.4 | 179.2 | -70 | -71.3 | -175.9 | 179.3 | 0 | 112.1 | V177 L178 S184 L185 | V177-K181 HydrophobicContact CG1-CG 4.33Å; V177-K181 WeakPolarHBondContact O-CB 3.06Å; V177-K181 VanDerWaalsContact O-CG 3.27Å; V177-K181 WeakPolarHBondContact O-CG 3.28Å; V177-K181 PolarHBondContact O-N 2.99Å; L178-K181 PolarHBondContact O-N 3.04Å; K181-S184 PolarHBondContact O-N 3.5Å; K181-L185 VanDerWaalsContact O-CB 3.32Å; K181-L185 WeakPolarHBondContact O-CB 3.1Å; K181-L185 PolarHBondContact O-N 2.78Å |
| 182 | R | 97.1 | Very high | 96.4 | Very high | 155 Ų | 155 | 95.1 Ų | 95.1 | 59% | 0.585 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -58.8 | -50.4 | 174.9 | -76.1 | 170.5 | 176.4 | 177.9 | -3 | 111.6 | L178 N179 Q180 L185 L186 | L178-R182 WeakPolarHBondContact O-CB 3.31Å; L178-R182 WeakPolarHBondContact O-CG 3.4Å; L178-R182 PolarHBondContact O-N 3.47Å; N179-R182 PolarHBondContact O-N 2.75Å; Q180-R182 PolarHBondContact O-N 3.02Å; R182-L185 WeakPolarHBondContact O-CB 3.39Å; R182-L185 PolarHBondContact O-N 2.93Å; R182-L186 PolarHBondContact O-N 3.13Å |
| 183 | L | 96.6 | Very high | 96.7 | Very high | 82 Ų | 82 | 98.8 Ų | 98.8 | 43% | 0.429 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.2 | -38 | -179.2 | -69.3 | 172.4 | 0 | 0 | 0 | 111.8 | N179 Q180 L185 L186 R187 | N179-L183 WeakPolarHBondContact O-CB 3.44Å; N179-L183 WeakPolarHBondContact O-CG 3.39Å; N179-L183 PolarHBondContact O-N 3.31Å; Q180-L183 PolarHBondContact O-N 3.3Å; L183-L185 VanDerWaalsContact C-N 3.34Å; L183-L186 PolarHBondContact O-N 2.98Å; L183-R187 WeakPolarHBondContact O-CB 3.01Å; L183-R187 VanDerWaalsContact O-CG 3.3Å; L183-R187 WeakPolarHBondContact O-CG 3.33Å; L183-R187 PolarHBondContact O-N 3.38Å |
| 184 | S | 97.3 | Very high | 96.9 | Very high | 65 Ų | 65 | 98.3 Ų | 98.3 | 46% | 0.455 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.3 | -38.4 | 173.8 | -66.9 | 0 | 0 | 0 | 0 | 112.1 | Q180 K181 R187 S188 | Q180-S184 VanDerWaalsContact O-CB 3.31Å; Q180-S184 WeakPolarHBondContact O-CB 3.36Å; Q180-S184 PolarHBondContact O-N 3.47Å; Q180-S184 PolarHBondContact O-OG 2.92Å; K181-S184 PolarHBondContact O-N 3.5Å; S184-R187 PolarHBondContact O-N 2.85Å; S184-S188 PolarHBondContact O-N 3.27Å; S184-S188 VanDerWaalsContact O-N 3.08Å |
| 185 | L | 97.3 | Very high | 96.9 | Very high | 107 Ų | 107 | 96.7 Ų | 96.7 | 56% | 0.56 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -62.4 | -49.4 | 175.2 | -176.1 | 70.8 | 0 | 0 | 0 | 110.8 | K181 R182 L183 R187 S188 V191 | K181-L185 VanDerWaalsContact O-CB 3.32Å; K181-L185 WeakPolarHBondContact O-CB 3.1Å; K181-L185 PolarHBondContact O-N 2.78Å; R182-L185 WeakPolarHBondContact O-CB 3.39Å; R182-L185 PolarHBondContact O-N 2.93Å; L183-L185 VanDerWaalsContact C-N 3.34Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.43Å; L185-S188 VanDerWaalsContact O-CB 3.24Å; L185-S188 WeakPolarHBondContact O-CB 3.2Å; L185-S188 PolarHBondContact O-N 3.31Å; L185-S188 VanDerWaalsContact O-N 3.14Å; L185-V191 HydrophobicContact CD1-CG2 3.7Å; L185-V191 HydrophobicContact CG-CG2 4.14Å; L185-V191 VanDerWaalsContact O-CB 3.28Å; L185-V191 WeakPolarHBondContact O-CB 3.42Å; L185-V191 WeakPolarHBondContact O-CG2 3.37Å |
| 186 | L | 95.9 | Very high | 97 | Very high | 105 Ų | 105 | 96.8 Ų | 96.8 | 55% | 0.55 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.7 | -23.8 | -178.7 | -68.8 | 176.4 | 0 | 0 | 0 | 113.9 | R182 L183 I192 | R182-L186 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 2.98Å; L186-I192 WeakPolarHBondContact O-CG1 3.43Å |
| 187 | R | 96.4 | Very high | 97.1 | Very high | 163 Ų | 163 | 97.7 Ų | 97.7 | 62% | 0.615 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -3.9 | 173.4 | -65.4 | -173.1 | -152.2 | 109.4 | -4.1 | 113.5 | L183 S184 L185 | L183-R187 WeakPolarHBondContact O-CB 3.01Å; L183-R187 VanDerWaalsContact O-CG 3.3Å; L183-R187 WeakPolarHBondContact O-CG 3.33Å; L183-R187 PolarHBondContact O-N 3.38Å; S184-R187 PolarHBondContact O-N 2.85Å; L185-R187 VanDerWaalsContact C-N 3.29Å; L185-R187 PolarHBondContact O-N 3.43Å |
| 188 | S | 97.9 | Very high | 97 | Very high | 36 Ų | 36 | 98.2 Ų | 98.2 | 25% | 0.252 | 47% | 0.472 | S | S | . | . | trans | -65.9 | 129.3 | 179.1 | 176.9 | 0 | 0 | 0 | 0 | 109.9 | S184 L185 E190 V191 I192 | S184-S188 PolarHBondContact O-N 3.27Å; S184-S188 VanDerWaalsContact O-N 3.08Å; L185-S188 VanDerWaalsContact O-CB 3.24Å; L185-S188 WeakPolarHBondContact O-CB 3.2Å; L185-S188 PolarHBondContact O-N 3.31Å; L185-S188 VanDerWaalsContact O-N 3.14Å; S188-E190 PolarHBondContact O-N 2.87Å; S188-E190 VanDerWaalsContact O-N 3.16Å; S188-E190 PolarHBondContact OG-N 3.39Å; S188-V191 PolarHBondContact O-N 3.06Å; S188-V191 VanDerWaalsContact O-N 3.14Å; S188-I192 VanDerWaalsContact O-CG1 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 2.88Å; S188-I192 PolarHBondContact O-N 3.37Å | ||
| 189 | P | 97.6 | Very high | 96.9 | Very high | 83 Ų | 83 | 100.2 Ų | 100.2 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.8 | -31.4 | 177.9 | 23.7 | -33.5 | 0 | 0 | 0 | 111.8 | R193 | P189-R193 WeakPolarHBondContact O-CB 3.49Å; P189-R193 VanDerWaalsContact O-CG 3.25Å; P189-R193 WeakPolarHBondContact O-CG 3.42Å; P189-R193 PolarHBondContact O-N 2.85Å |
| 190 | E | 97.6 | Very high | 96.9 | Very high | 107 Ų | 107 | 104.7 Ų | 104.7 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.7 | -48.8 | 177.3 | -58.5 | -49.6 | 127.5 | 0 | 0 | 112.2 | S188 I192 R193 F194 | S188-E190 PolarHBondContact O-N 2.87Å; S188-E190 VanDerWaalsContact O-N 3.16Å; S188-E190 PolarHBondContact OG-N 3.39Å; E190-I192 VanDerWaalsContact C-N 3.34Å; E190-R193 PolarHBondContact O-N 3.04Å; E190-R193 IonicContact OE1-CZ 3.39Å; E190-R193 IonicContact OE1-NE 3.92Å; E190-R193 IonicContact OE1-NH2 2.64Å; E190-R193 PolarHBondContact OE1-NH2 3.22Å; E190-R193 IonicContact OE2-CZ 3.68Å; E190-R193 IonicContact OE2-NE 3.88Å; E190-R193 IonicContact OE2-NH2 2.72Å; E190-R193 PolarHBondContact OE2-NH2 3.1Å; E190-F194 WeakPolarHBondContact O-CB 3.3Å; E190-F194 PolarHBondContact O-N 2.83Å |
| 191 | V | 97.9 | Very high | 96.8 | Very high | 32 Ų | 32 | 103.1 Ų | 103.1 | 19% | 0.194 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67.3 | -40.2 | 179.7 | 176.5 | 0 | 0 | 0 | 0 | 110.2 | L185 S188 F194 L195 | L185-V191 HydrophobicContact CD1-CG2 3.7Å; L185-V191 HydrophobicContact CG-CG2 4.14Å; L185-V191 VanDerWaalsContact O-CB 3.28Å; L185-V191 WeakPolarHBondContact O-CB 3.42Å; L185-V191 WeakPolarHBondContact O-CG2 3.37Å; S188-V191 PolarHBondContact O-N 3.06Å; S188-V191 VanDerWaalsContact O-N 3.14Å; V191-F194 PolarHBondContact O-N 3.33Å; V191-L195 HydrophobicContact CG1-CD1 3.82Å; V191-L195 HydrophobicContact CG1-CG 4.23Å; V191-L195 WeakPolarHBondContact O-CB 3.15Å; V191-L195 VanDerWaalsContact O-CG 3.27Å; V191-L195 WeakPolarHBondContact O-CG 3.27Å; V191-L195 PolarHBondContact O-N 3.06Å |
| 192 | I | 97.4 | Very high | 96.5 | Very high | 82 Ų | 82 | 101.8 Ų | 101.8 | 42% | 0.421 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.9 | -48.9 | 176.5 | -66.2 | 165.5 | 0 | 0 | 0 | 110.5 | L186 S188 E190 F194 L195 Q196 | L186-I192 WeakPolarHBondContact O-CG1 3.43Å; S188-I192 VanDerWaalsContact O-CG1 3.29Å; S188-I192 WeakPolarHBondContact O-CG1 2.88Å; S188-I192 PolarHBondContact O-N 3.37Å; E190-I192 VanDerWaalsContact C-N 3.34Å; I192-F194 VanDerWaalsContact C-N 3.32Å; I192-F194 PolarHBondContact O-N 2.92Å; I192-L195 PolarHBondContact O-N 2.96Å; I192-Q196 VanDerWaalsContact O-CB 3.27Å; I192-Q196 WeakPolarHBondContact O-CB 3.1Å; I192-Q196 PolarHBondContact O-N 3.06Å |
| 193 | R | 97.4 | Very high | 96.3 | Very high | 144 Ų | 144 | 97.5 Ų | 97.5 | 54% | 0.543 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59 | -44.6 | 177.6 | -76.4 | -169.8 | -62 | 136.2 | -16.7 | 111.5 | P189 E190 Q196 Q197 | P189-R193 WeakPolarHBondContact O-CB 3.49Å; P189-R193 VanDerWaalsContact O-CG 3.25Å; P189-R193 WeakPolarHBondContact O-CG 3.42Å; P189-R193 PolarHBondContact O-N 2.85Å; E190-R193 PolarHBondContact O-N 3.04Å; E190-R193 IonicContact OE1-CZ 3.39Å; E190-R193 IonicContact OE1-NE 3.92Å; E190-R193 IonicContact OE1-NH2 2.64Å; E190-R193 PolarHBondContact OE1-NH2 3.22Å; E190-R193 IonicContact OE2-CZ 3.68Å; E190-R193 IonicContact OE2-NE 3.88Å; E190-R193 IonicContact OE2-NH2 2.72Å; E190-R193 PolarHBondContact OE2-NH2 3.1Å; R193-Q196 PolarHBondContact O-N 3.49Å; R193-Q197 WeakPolarHBondContact O-CB 3.34Å; R193-Q197 PolarHBondContact O-N 2.64Å |
| 194 | F | 97.9 | Very high | 95.8 | Very high | 114 Ų | 114 | 97.8 Ų | 97.8 | 50% | 0.5 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.6 | -52 | 176.7 | 174.4 | -99 | 0 | 0 | 0 | 111.9 | E190 V191 I192 Q196 Q197 Q198 | E190-F194 WeakPolarHBondContact O-CB 3.3Å; E190-F194 PolarHBondContact O-N 2.83Å; V191-F194 PolarHBondContact O-N 3.33Å; I192-F194 VanDerWaalsContact C-N 3.32Å; I192-F194 PolarHBondContact O-N 2.92Å; F194-Q196 VanDerWaalsContact C-N 3.33Å; F194-Q196 PolarHBondContact O-N 3.49Å; F194-Q197 WeakPolarHBondContact O-CB 3.36Å; F194-Q197 PolarHBondContact O-N 3.34Å; F194-Q198 HydrophobicContact CD1-CG 4.35Å; F194-Q198 HydrophobicContact CE1-CG 3.9Å; F194-Q198 HydrophobicContact CE2-CG 4.1Å; F194-Q198 HydrophobicContact CZ-CG 3.76Å; F194-Q198 WeakPolarHBondContact O-CG 3.35Å; F194-Q198 PolarHBondContact O-N 2.75Å |
| 195 | L | 96.8 | Very high | 95.2 | Very high | 89 Ų | 89 | 101 Ų | 101 | 47% | 0.466 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | -179.8 | -71 | 175.2 | 0 | 0 | 0 | 111.9 | V191 I192 Q197 Q198 Q199 | V191-L195 HydrophobicContact CG1-CD1 3.82Å; V191-L195 HydrophobicContact CG1-CG 4.23Å; V191-L195 WeakPolarHBondContact O-CB 3.15Å; V191-L195 VanDerWaalsContact O-CG 3.27Å; V191-L195 WeakPolarHBondContact O-CG 3.27Å; V191-L195 PolarHBondContact O-N 3.06Å; I192-L195 PolarHBondContact O-N 2.96Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-Q197 PolarHBondContact O-N 2.98Å; L195-Q198 PolarHBondContact O-N 2.8Å; L195-Q199 WeakPolarHBondContact O-CB 3.45Å; L195-Q199 PolarHBondContact O-N 2.9Å |
| 196 | Q | 96.3 | Very high | 94.3 | Very high | 92 Ų | 92 | 98.7 Ų | 98.7 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -39.1 | 175.7 | -170.1 | -179.7 | 21.7 | 0 | 0 | 111.7 | I192 R193 F194 Q199 R200 | I192-Q196 VanDerWaalsContact O-CB 3.27Å; I192-Q196 WeakPolarHBondContact O-CB 3.1Å; I192-Q196 PolarHBondContact O-N 3.06Å; R193-Q196 PolarHBondContact O-N 3.49Å; F194-Q196 VanDerWaalsContact C-N 3.33Å; F194-Q196 PolarHBondContact O-N 3.49Å; Q196-Q199 PolarHBondContact O-N 3.28Å; Q196-R200 WeakPolarHBondContact O-CG 3.37Å; Q196-R200 PolarHBondContact O-N 2.82Å |
| 197 | Q | 97 | Very high | 93.2 | Very high | 116 Ų | 116 | 100 Ų | 100 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 174.9 | -175.3 | -179.7 | 17.9 | 0 | 0 | 111.4 | R193 F194 L195 Q199 R200 L201 | R193-Q197 WeakPolarHBondContact O-CB 3.34Å; R193-Q197 PolarHBondContact O-N 2.64Å; F194-Q197 WeakPolarHBondContact O-CB 3.36Å; F194-Q197 PolarHBondContact O-N 3.34Å; L195-Q197 VanDerWaalsContact C-N 3.33Å; L195-Q197 PolarHBondContact O-N 2.98Å; Q197-Q199 VanDerWaalsContact C-N 3.32Å; Q197-Q199 PolarHBondContact O-N 3.3Å; Q197-R200 PolarHBondContact O-N 2.89Å; Q197-L201 HydrophobicContact CG-CD1 4.48Å; Q197-L201 WeakPolarHBondContact O-CG 3.4Å; Q197-L201 PolarHBondContact O-N 3.38Å; Q197-L201 VanDerWaalsContact O-N 3.11Å |
| 198 | Q | 96.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 96.4 Ų | 96.4 | 36% | 0.355 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.2 | -42.7 | 176.5 | -66.8 | -55.8 | -53.1 | 0 | 0 | 111.4 | F194 L195 R200 L201 L202 | F194-Q198 HydrophobicContact CD1-CG 4.35Å; F194-Q198 HydrophobicContact CE1-CG 3.9Å; F194-Q198 HydrophobicContact CE2-CG 4.1Å; F194-Q198 HydrophobicContact CZ-CG 3.76Å; F194-Q198 WeakPolarHBondContact O-CG 3.35Å; F194-Q198 PolarHBondContact O-N 2.75Å; L195-Q198 PolarHBondContact O-N 2.8Å; Q198-R200 PolarHBondContact O-N 3.25Å; Q198-L201 PolarHBondContact O-N 3.36Å; Q198-L202 WeakPolarHBondContact O-CG 3.47Å; Q198-L202 PolarHBondContact O-N 3.32Å |
| 199 | Q | 95.2 | Very high | 90.1 | Very high | 131 Ų | 131 | 103.2 Ų | 103.2 | 61% | 0.612 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.6 | -43.7 | 177 | -170.6 | 175 | 21.3 | 0 | 0 | 111.8 | L195 Q196 Q197 L201 L202 T203 | L195-Q199 WeakPolarHBondContact O-CB 3.45Å; L195-Q199 PolarHBondContact O-N 2.9Å; Q196-Q199 PolarHBondContact O-N 3.28Å; Q197-Q199 VanDerWaalsContact C-N 3.32Å; Q197-Q199 PolarHBondContact O-N 3.3Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; Q199-L201 PolarHBondContact O-N 3.32Å; Q199-L202 PolarHBondContact O-N 2.89Å; Q199-T203 HydrophobicContact CG-CG2 4.36Å; Q199-T203 WeakPolarHBondContact O-CG2 3.47Å; Q199-T203 PolarHBondContact O-N 2.8Å; Q199-T203 PolarHBondContact O-OG1 2.78Å; Q199-T203 VanDerWaalsContact O-OG1 3.09Å |
| 200 | R | 94.5 | Very high | 88.4 | Confident | 154 Ų | 154 | 103 Ų | 103 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.2 | -46.5 | 176.5 | -73.8 | 177.4 | -171.8 | -176.1 | 5 | 111.8 | Q196 Q197 Q198 L202 T203 T204 | Q196-R200 WeakPolarHBondContact O-CG 3.37Å; Q196-R200 PolarHBondContact O-N 2.82Å; Q197-R200 PolarHBondContact O-N 2.89Å; Q198-R200 PolarHBondContact O-N 3.25Å; R200-L202 PolarHBondContact O-N 3.38Å; R200-T203 VanDerWaalsContact CA-OG1 3.3Å; R200-T203 WeakPolarHBondContact CA-OG1 3.36Å; R200-T203 PolarHBondContact O-N 2.91Å; R200-T203 PolarHBondContact O-OG1 3.19Å; R200-T204 PolarHBondContact O-N 2.94Å; R200-T204 PolarHBondContact O-OG1 3.24Å |
| 201 | L | 94.7 | Very high | 86.3 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 178.9 | -68.3 | 172.9 | 0 | 0 | 0 | 112.5 | Q197 Q198 Q199 T204 Q205 | Q197-L201 HydrophobicContact CG-CD1 4.48Å; Q197-L201 WeakPolarHBondContact O-CG 3.4Å; Q197-L201 PolarHBondContact O-N 3.38Å; Q197-L201 VanDerWaalsContact O-N 3.11Å; Q198-L201 PolarHBondContact O-N 3.36Å; Q199-L201 VanDerWaalsContact C-N 3.35Å; Q199-L201 PolarHBondContact O-N 3.32Å; L201-T204 WeakPolarHBondContact CA-OG1 3.33Å; L201-T204 PolarHBondContact O-OG1 3.45Å; L201-T204 VanDerWaalsContact O-OG1 3.04Å; L201-Q205 PolarHBondContact O-N 3.12Å; L201-Q205 VanDerWaalsContact O-N 3.09Å |
| 202 | L | 92.8 | Very high | 84.3 | Confident | 114 Ų | 114 | 107.9 Ų | 107.9 | 60% | 0.597 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -67.6 | -40.8 | 175.8 | -68.9 | 171.7 | 0 | 0 | 0 | 111.4 | Q198 Q199 R200 Q205 S206 | Q198-L202 WeakPolarHBondContact O-CG 3.47Å; Q198-L202 PolarHBondContact O-N 3.32Å; Q199-L202 PolarHBondContact O-N 2.89Å; R200-L202 PolarHBondContact O-N 3.38Å; L202-Q205 PolarHBondContact O-N 3.42Å; L202-S206 WeakPolarHBondContact O-CB 3.34Å; L202-S206 PolarHBondContact O-N 2.88Å; L202-S206 PolarHBondContact O-OG 3.47Å |
| 203 | T | 92.3 | Very high | 82.1 | Confident | 65 Ų | 65 | 111.3 Ų | 111.3 | 40% | 0.399 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -65 | -43.4 | 177.8 | 52.7 | 0 | 0 | 0 | 0 | 112.1 | Q199 R200 S206 H207 | Q199-T203 HydrophobicContact CG-CG2 4.36Å; Q199-T203 WeakPolarHBondContact O-CG2 3.47Å; Q199-T203 PolarHBondContact O-N 2.8Å; Q199-T203 PolarHBondContact O-OG1 2.78Å; Q199-T203 VanDerWaalsContact O-OG1 3.09Å; R200-T203 VanDerWaalsContact CA-OG1 3.3Å; R200-T203 WeakPolarHBondContact CA-OG1 3.36Å; R200-T203 PolarHBondContact O-N 2.91Å; R200-T203 PolarHBondContact O-OG1 3.19Å; T203-S206 WeakPolarHBondContact CA-OG 3.32Å; T203-S206 PolarHBondContact O-N 3.05Å; T203-S206 PolarHBondContact O-OG 3.37Å; T203-H207 WeakPolarHBondContact O-CB 3.21Å; T203-H207 PolarHBondContact O-N 3.32Å |
| 204 | T | 86.7 | Confident | 80.1 | Confident | 88 Ų | 88 | 113.8 Ų | 113.8 | 54% | 0.54 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -65.1 | -41.9 | 176.4 | 39.5 | 0 | 0 | 0 | 0 | 112.2 | R200 L201 H207 S208 | R200-T204 PolarHBondContact O-N 2.94Å; R200-T204 PolarHBondContact O-OG1 3.24Å; L201-T204 WeakPolarHBondContact CA-OG1 3.33Å; L201-T204 PolarHBondContact O-OG1 3.45Å; L201-T204 VanDerWaalsContact O-OG1 3.04Å; T204-H207 PolarHBondContact O-N 2.89Å; T204-S208 PolarHBondContact O-N 3.49Å; T204-S208 PolarHBondContact O-OG 3.38Å |
| 205 | Q | 84 | Confident | 77.8 | Confident | 133 Ų | 133 | 116.7 Ų | 116.7 | 62% | 0.621 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -60.4 | -47 | 173.5 | -81.8 | -151.6 | 91.4 | 0 | 0 | 111.7 | L201 L202 H207 S208 Q209 | L201-Q205 PolarHBondContact O-N 3.12Å; L201-Q205 VanDerWaalsContact O-N 3.09Å; L202-Q205 PolarHBondContact O-N 3.42Å; Q205-H207 VanDerWaalsContact C-N 3.33Å; Q205-H207 PolarHBondContact O-N 2.88Å; Q205-S208 PolarHBondContact O-N 2.81Å; Q205-S208 PolarHBondContact O-OG 3.28Å; Q205-Q209 PolarHBondContact O-N 3.29Å |
| 206 | S | 78 | Confident | 75.9 | Confident | 59 Ų | 59 | 115.6 Ų | 115.6 | 41% | 0.413 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.1 | -41.2 | 178.9 | 71.4 | 0 | 0 | 0 | 0 | 112.5 | L202 T203 Q209 S210 | L202-S206 WeakPolarHBondContact O-CB 3.34Å; L202-S206 PolarHBondContact O-N 2.88Å; L202-S206 PolarHBondContact O-OG 3.47Å; T203-S206 WeakPolarHBondContact CA-OG 3.32Å; T203-S206 PolarHBondContact O-N 3.05Å; T203-S206 PolarHBondContact O-OG 3.37Å; S206-Q209 PolarHBondContact O-N 3.28Å; S206-S210 PolarHBondContact O-N 2.91Å; S206-S210 VanDerWaalsContact O-N 3.14Å; S206-S210 PolarHBondContact O-OG 2.72Å |
| 207 | H | 73.6 | Confident | 73.4 | Confident | 133 Ų | 133 | 121.3 Ų | 121.3 | 62% | 0.616 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -68.7 | -35.6 | 178.2 | -85.6 | 31.9 | 0 | 0 | 0 | 113 | T203 T204 Q205 Q209 S210 Q211 | T203-H207 WeakPolarHBondContact O-CB 3.21Å; T203-H207 PolarHBondContact O-N 3.32Å; T204-H207 PolarHBondContact O-N 2.89Å; Q205-H207 VanDerWaalsContact C-N 3.33Å; Q205-H207 PolarHBondContact O-N 2.88Å; H207-Q209 PolarHBondContact O-N 2.79Å; H207-S210 WeakPolarHBondContact CA-OG 3.32Å; H207-S210 PolarHBondContact O-N 2.84Å; H207-S210 PolarHBondContact O-OG 2.72Å; H207-Q211 PolarHBondContact O-N 2.81Å |
| 208 | S | 68.3 | Low | 72.3 | Confident | 87 Ų | 87 | 121.6 Ų | 121.6 | 61% | 0.608 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -65.8 | -26.4 | 173.8 | 63.7 | 0 | 0 | 0 | 0 | 112.9 | T204 Q205 | T204-S208 PolarHBondContact O-N 3.49Å; T204-S208 PolarHBondContact O-OG 3.38Å; Q205-S208 PolarHBondContact O-N 2.81Å; Q205-S208 PolarHBondContact O-OG 3.28Å |
| 209 | Q | 61.2 | Low | 71 | Confident | 179 Ų | 179 | 123.9 Ų | 123.9 | 84% | 0.836 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -86.1 | -18.4 | 177.7 | -139.1 | 175.4 | 66.6 | 0 | 0 | 112.8 | Q205 S206 H207 | Q205-Q209 PolarHBondContact O-N 3.29Å; S206-Q209 PolarHBondContact O-N 3.28Å; H207-Q209 PolarHBondContact O-N 2.79Å |
| 210 | S | 60.4 | Low | 69.7 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 54% | 0.538 | 67% | 0.674 | S | S | . | * | S | Bend | trans | -108.7 | 14.6 | -175.9 | 71.1 | 0 | 0 | 0 | 0 | 114.3 | S206 H207 P212 | S206-S210 PolarHBondContact O-N 2.91Å; S206-S210 VanDerWaalsContact O-N 3.14Å; S206-S210 PolarHBondContact O-OG 2.72Å; H207-S210 WeakPolarHBondContact CA-OG 3.32Å; H207-S210 PolarHBondContact O-N 2.84Å; H207-S210 PolarHBondContact O-OG 2.72Å; S210-P212 WeakPolarHBondContact O-CD 3.42Å |
| 211 | Q | 54 | Low | 68.2 | Low | 154 Ų | 154 | 121.8 Ų | 121.8 | 72% | 0.72 | 68% | 0.679 | S | S | * | * | trans | -74.3 | 112.3 | 164.8 | -82.5 | -77.8 | -10.4 | 0 | 0 | 108.1 | H207 D213 | H207-Q211 PolarHBondContact O-N 2.81Å; Q211-D213 PolarHBondContact O-N 2.82Å | ||
| 212 | P | 55.3 | Low | 66.5 | Low | 89 Ų | 89 | 123.8 Ų | 123.8 | 58% | 0.578 | 69% | 0.692 | S | S | * | * | trans | -72.1 | 123.4 | 167 | 29.9 | -30.2 | 0 | 0 | 0 | 108.4 | S210 F214 | S210-P212 WeakPolarHBondContact O-CD 3.42Å; P212-F214 HydrophobicContact CB-CD2 4.45Å; P212-F214 PolarHBondContact O-N 3.06Å | ||
| 213 | D | 52.2 | Low | 64.8 | Low | 153 Ų | 153 | 124.4 Ų | 124.4 | 82% | 0.818 | 70% | 0.698 | S | S | * | * | trans | -58.7 | 83 | 159.7 | -75.9 | -59 | 0 | 0 | 0 | 109 | Q211 Q215 | Q211-D213 PolarHBondContact O-N 2.82Å; D213-Q215 PolarHBondContact O-N 2.72Å | ||
| 214 | F | 54.6 | Low | 62.8 | Low | 196 Ų | 196 | 128.6 Ų | 128.6 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | -87.1 | 73.3 | 163.1 | -115.7 | -86.5 | 0 | 0 | 0 | 107.8 | P212 G216 | P212-F214 HydrophobicContact CB-CD2 4.45Å; P212-F214 PolarHBondContact O-N 3.06Å; F214-G216 PolarHBondContact O-N 3.26Å | ||
| 215 | Q | 50 | Low | 61 | Low | 176 Ų | 176 | 131.8 Ų | 131.8 | 82% | 0.822 | 73% | 0.734 | S | S | * | * | trans | -78.2 | 104.6 | 167 | -156.5 | 125.7 | 0.1 | 0 | 0 | 107.4 | D213 | D213-Q215 PolarHBondContact O-N 2.72Š| ||
| 216 | G | 56.8 | Low | 59.1 | Low | 66 Ų | 66 | 131.7 Ų | 131.7 | 68% | 0.68 | 74% | 0.743 | S | S | * | * | trans | -61.1 | 149.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | F214 | F214-G216 PolarHBondContact O-N 3.26Š| ||
| 217 | C | 44.7 | Very low | 57.4 | Low | 211 Ų | 211 | 138.3 Ų | 138.3 | 100% | 1.426 | 77% | 0.773 | S | S | * | * | trans | -56 | 0 | 173.6 | -56.8 | 0 | 0 | 0 | 0 | 113.9 |
Retrieved 217 of 217 residues in 796.6 ms
(Link to these results)