| 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 | R | 36.9 | Very low | 44.3 | Very low | 292 Ų | 292 | 149.8 Ų | 149.8 | 100% | 1.102 | 80% | 0.796 | S | S | * | * | 0 | 111.1 | 0 | -103.6 | -179.6 | 173.3 | -175.4 | -1.5 | 108.1 | |||||
| 2 | K | 40.9 | Very low | 44.3 | Very low | 198 Ų | 198 | 145.3 Ų | 145.3 | 86% | 0.861 | 78% | 0.781 | S | S | * | * | trans | 60.4 | 107.6 | 149.8 | -57.3 | 179 | 178.6 | -174.9 | 0 | 118.7 | ||||
| 3 | S | 44.4 | Very low | 44.5 | Very low | 101 Ų | 101 | 146.5 Ų | 146.5 | 71% | 0.706 | 78% | 0.778 | S | S | * | * | trans | -56.2 | 153.5 | 156.4 | 40.6 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 4 | P | 49.3 | Very low | 44.3 | Very low | 126 Ų | 126 | 150.3 Ų | 150.3 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -93.9 | 105.4 | 160.1 | 32.9 | -21.9 | 0 | 0 | 0 | 108.7 | L6 | P4-L6 PolarHBondContact O-N 3.46Š| ||
| 5 | T | 45.1 | Very low | 44.5 | Very low | 124 Ų | 124 | 150 Ų | 150 | 76% | 0.761 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 104.3 | 160.1 | 40 | 0 | 0 | 0 | 0 | 108.5 | L7 | T5-L7 PolarHBondContact O-N 3.29Š| ||
| 6 | L | 45.9 | Very low | 44.8 | Very low | 158 Ų | 158 | 154.1 Ų | 154.1 | 83% | 0.827 | 79% | 0.786 | S | S | * | * | trans | -72.5 | 110.8 | 165 | -162.7 | 176.5 | 0 | 0 | 0 | 106.4 | P4 E8 | P4-L6 PolarHBondContact O-N 3.46Å; L6-E8 PolarHBondContact O-N 2.89Å | ||
| 7 | L | 47.9 | Very low | 44.6 | Very low | 150 Ų | 150 | 152.7 Ų | 152.7 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | trans | -65.5 | 100.6 | 173.6 | -76.7 | 165.9 | 0 | 0 | 0 | 108.8 | T5 V9 | T5-L7 PolarHBondContact O-N 3.29Å; L7-V9 PolarHBondContact O-N 3.06Å | ||
| 8 | E | 44.6 | Very low | 44.3 | Very low | 166 Ų | 166 | 151.1 Ų | 151.1 | 78% | 0.776 | 78% | 0.78 | S | S | * | * | trans | -63.3 | 101.9 | 167.3 | -171.5 | 179.9 | 160.4 | 0 | 0 | 108.4 | L6 S10 | L6-E8 PolarHBondContact O-N 2.89Å; E8-S10 PolarHBondContact O-N 3.46Å | ||
| 9 | V | 43.2 | Very low | 44.5 | Very low | 126 Ų | 126 | 149.4 Ų | 149.4 | 76% | 0.764 | 78% | 0.782 | S | S | * | * | trans | -73.4 | 86.8 | 170.7 | 176.6 | 0 | 0 | 0 | 0 | 107.1 | L7 T11 | L7-V9 PolarHBondContact O-N 3.06Å; V9-T11 PolarHBondContact O-N 3.28Å | ||
| 10 | S | 39.8 | Very low | 44.8 | Very low | 98 Ų | 98 | 151.6 Ų | 151.6 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -64.3 | 105 | 170.2 | -139.3 | 0 | 0 | 0 | 0 | 108 | E8 | E8-S10 PolarHBondContact O-N 3.46Š| ||
| 11 | T | 49.6 | Very low | 44.8 | Very low | 109 Ų | 109 | 148.9 Ų | 148.9 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -73.8 | 124.6 | 173.9 | -56.9 | 0 | 0 | 0 | 0 | 107.3 | V9 H13 | V9-T11 PolarHBondContact O-N 3.28Å; T11-H13 PolarHBondContact O-N 3.29Å; T11-H13 VanDerWaalsContact O-N 3.14Å | ||
| 12 | P | 43.8 | Very low | 45.3 | Very low | 96 Ų | 96 | 144.3 Ų | 144.3 | 62% | 0.623 | 78% | 0.777 | S | S | * | * | trans | -67.9 | 119.5 | -176.7 | 26.7 | -31.4 | 0 | 0 | 0 | 109.3 | F14 | P12-F14 PolarHBondContact O-N 3.47Å; P12-F14 VanDerWaalsContact O-N 3.14Å | ||
| 13 | H | 47.7 | Very low | 45.8 | Very low | 160 Ų | 160 | 142.4 Ų | 142.4 | 74% | 0.741 | 78% | 0.776 | S | S | * | * | trans | -62 | 112.4 | 164.7 | -88.9 | -89.9 | 0 | 0 | 0 | 108.1 | T11 L15 | T11-H13 PolarHBondContact O-N 3.29Å; T11-H13 VanDerWaalsContact O-N 3.14Å; H13-L15 HydrophobicContact CB-CG 4.36Å; H13-L15 PolarHBondContact O-N 3.33Å | ||
| 14 | F | 41.8 | Very low | 46 | Very low | 200 Ų | 200 | 145 Ų | 145 | 88% | 0.877 | 78% | 0.781 | S | S | * | * | trans | -69.2 | 82.9 | 164.7 | -76.6 | -84.9 | 0 | 0 | 0 | 108.5 | P12 R16 | P12-F14 PolarHBondContact O-N 3.47Å; P12-F14 VanDerWaalsContact O-N 3.14Å; F14-R16 PolarHBondContact O-N 3.41Å; F14-R16 VanDerWaalsContact O-N 3.11Å | ||
| 15 | L | 47.4 | Very low | 45.6 | Very low | 146 Ų | 146 | 145.8 Ų | 145.8 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -70.9 | 101.3 | 166.6 | -69.7 | 167.3 | 0 | 0 | 0 | 107.2 | H13 T17 | H13-L15 HydrophobicContact CB-CG 4.36Å; H13-L15 PolarHBondContact O-N 3.33Å; L15-T17 PolarHBondContact O-N 3.47Å | ||
| 16 | R | 48 | Very low | 45.7 | Very low | 216 Ų | 216 | 148.5 Ų | 148.5 | 82% | 0.815 | 79% | 0.787 | S | S | * | * | trans | -66 | 105.6 | 165.3 | -171.4 | -179.8 | -162.2 | -165.9 | 4.9 | 107 | F14 N18 | F14-R16 PolarHBondContact O-N 3.41Å; F14-R16 VanDerWaalsContact O-N 3.11Å; R16-N18 PolarHBondContact O-N 2.95Å | ||
| 17 | T | 41.4 | Very low | 45.6 | Very low | 130 Ų | 130 | 149.9 Ų | 149.9 | 80% | 0.798 | 79% | 0.789 | S | S | * | * | trans | -69.2 | 82.7 | 171.9 | 46.7 | 0 | 0 | 0 | 0 | 109.7 | L15 | L15-T17 PolarHBondContact O-N 3.47Š| ||
| 18 | N | 40.6 | Very low | 45.6 | Very low | 124 Ų | 124 | 145.6 Ų | 145.6 | 66% | 0.663 | 78% | 0.782 | S | S | * | * | trans | -124.5 | 90.7 | 156.7 | -80.7 | -25 | 0 | 0 | 0 | 107.1 | R16 F20 | R16-N18 PolarHBondContact O-N 2.95Å; N18-F20 PolarHBondContact O-N 3.29Å | ||
| 19 | S | 47.7 | Very low | 45.6 | Very low | 118 Ų | 118 | 145.9 Ų | 145.9 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -63.9 | 123.2 | 167.7 | 173.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 20 | F | 49.7 | Very low | 46.1 | Very low | 194 Ų | 194 | 144.8 Ų | 144.8 | 85% | 0.851 | 78% | 0.777 | S | S | * | * | 164 | 89.7 | 120.6 | -166.4 | -99.2 | 0 | 0 | 0 | 109.9 | N18 | N18-F20 PolarHBondContact O-N 3.29Š| |||
| 21 | A | 45.4 | Very low | 46.9 | Very low | 95 Ų | 95 | 146.6 Ų | 146.6 | 79% | 0.785 | 78% | 0.778 | S | S | * | * | trans | 164.3 | 83.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 22 | E | 47.8 | Very low | 47.5 | Very low | 196 Ų | 196 | 148 Ų | 148 | 92% | 0.916 | 78% | 0.781 | S | S | * | * | trans | -77.9 | 152.9 | 151.5 | -79.8 | -134.2 | 144.6 | 0 | 0 | 108.5 | ||||
| 23 | D | 50.8 | Low | 48.8 | Very low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.785 | S | S | * | * | trans | 93 | 86.3 | 170.4 | -138.6 | 32.1 | 0 | 0 | 0 | 115.4 | ||||
| 24 | L | 49.2 | Very low | 50.2 | Low | 156 Ų | 156 | 146.5 Ų | 146.5 | 82% | 0.817 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -174 | 113.2 | 135.9 | -93.1 | 146.7 | 0 | 0 | 0 | 110 | ||
| 25 | D | 39.7 | Very low | 51.9 | Low | 142 Ų | 142 | 140.9 Ų | 140.9 | 76% | 0.759 | 76% | 0.762 | S | S | * | * | trans | 81.8 | 88.1 | 157.3 | -61.2 | -16.2 | 0 | 0 | 0 | 120.4 | E27 | D25-E27 VanDerWaalsContact C-N 3.34Å; D25-E27 PolarHBondContact O-N 2.95Å | ||
| 26 | L | 47.8 | Very low | 53.5 | Low | 182 Ų | 182 | 139.6 Ų | 139.6 | 95% | 0.953 | 76% | 0.76 | S | S | * | * | trans | -44.3 | 82.4 | 147.9 | -174.2 | 74.6 | 0 | 0 | 0 | 113.1 | ||||
| 27 | E | 43.4 | Very low | 55.3 | Low | 186 Ų | 186 | 135 Ų | 135 | 87% | 0.869 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -144.8 | 76.7 | 156.8 | -158.1 | 162.1 | -164.8 | 0 | 0 | 111.4 | D25 | D25-E27 VanDerWaalsContact C-N 3.34Å; D25-E27 PolarHBondContact O-N 2.95Å |
| 28 | G | 47.3 | Very low | 57.3 | Low | 61 Ų | 61 | 133.3 Ų | 133.3 | 63% | 0.629 | 74% | 0.737 | S | S | * | * | trans | 65.7 | 71.9 | 155 | 0 | 0 | 0 | 0 | 0 | 116.4 | T30 | G28-T30 PolarHBondContact O-N 2.95Š| ||
| 29 | E | 45.5 | Very low | 59.3 | Low | 171 Ų | 171 | 131.7 Ų | 131.7 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -58.8 | 84.3 | 147.6 | -81.2 | 98.2 | 175.2 | 0 | 0 | 109.2 | L31 | E29-L31 PolarHBondContact O-N 3.28Š| ||
| 30 | T | 54.7 | Low | 61 | Low | 103 Ų | 103 | 130.6 Ų | 130.6 | 63% | 0.632 | 72% | 0.717 | S | S | * | * | trans | -63.4 | 95.1 | 153.3 | 16 | 0 | 0 | 0 | 0 | 104.7 | G28 L32 | G28-T30 PolarHBondContact O-N 2.95Å; T30-L32 WeakPolarHBondContact O-CG 3.46Å; T30-L32 PolarHBondContact O-N 2.92Å | ||
| 31 | L | 56.2 | Low | 62.8 | Low | 136 Ų | 136 | 122.9 Ų | 122.9 | 71% | 0.712 | 68% | 0.684 | S | S | * | * | trans | -52 | 98.5 | 164.2 | -63.3 | -175.1 | 0 | 0 | 0 | 106 | E29 T33 | E29-L31 PolarHBondContact O-N 3.28Å; L31-T33 PolarHBondContact O-N 3.45Å | ||
| 32 | L | 62.5 | Low | 64.9 | Low | 139 Ų | 139 | 124.9 Ų | 124.9 | 73% | 0.728 | 67% | 0.672 | S | S | * | * | trans | -70.3 | 87.6 | -177.9 | -67.8 | 176.1 | 0 | 0 | 0 | 106.1 | T30 | T30-L32 WeakPolarHBondContact O-CG 3.46Å; T30-L32 PolarHBondContact O-N 2.92Å | ||
| 33 | T | 70.9 | Confident | 66.9 | Low | 117 Ų | 117 | 121.9 Ų | 121.9 | 72% | 0.718 | 66% | 0.662 | S | S | * | * | trans | -56.7 | 130.7 | 169.3 | 48.8 | 0 | 0 | 0 | 0 | 107.1 | L31 I35 | L31-T33 PolarHBondContact O-N 3.45Å; T33-I35 PolarHBondContact O-N 3.44Å; T33-I35 VanDerWaalsContact O-N 3.14Å | ||
| 34 | P | 76.1 | Confident | 68.9 | Low | 107 Ų | 107 | 118.5 Ų | 118.5 | 70% | 0.695 | 64% | 0.641 | S | S | * | * | trans | -53.9 | 126 | 179.9 | -26.1 | 33.3 | 0 | 0 | 0 | 109.8 | T36 | P34-T36 PolarHBondContact O-N 3.31Š| ||
| 35 | I | 76.7 | Confident | 71 | Confident | 83 Ų | 83 | 113.6 Ų | 113.6 | 43% | 0.426 | 61% | 0.614 | S | S | . | * | trans | -67.6 | 107.7 | 173.2 | -68.4 | 174.2 | 0 | 0 | 0 | 107.1 | T33 Q40 L41 | T33-I35 PolarHBondContact O-N 3.44Å; T33-I35 VanDerWaalsContact O-N 3.14Å; I35-Q40 HydrophobicContact CG2-CB 4.14Å; I35-L41 HydrophobicContact CG2-CD1 3.63Å | ||
| 36 | T | 83 | Confident | 73.5 | Confident | 118 Ų | 118 | 111 Ų | 111 | 72% | 0.724 | 59% | 0.593 | S | S | * | * | trans | -93 | -20.3 | -179.2 | 54.1 | 0 | 0 | 0 | 0 | 112.3 | P34 Q40 | P34-T36 PolarHBondContact O-N 3.31Å; T36-Q40 PolarHBondContact OG1-NE2 3.43Å; T36-Q40 PolarHBondContact OG1-OE1 2.99Å | ||
| 37 | H | 84.8 | Confident | 75.8 | Confident | 119 Ų | 119 | 104.8 Ų | 104.8 | 55% | 0.551 | 57% | 0.568 | S | S | * | * | S | Bend | trans | -139.7 | 147.2 | -177 | -161.4 | -99.2 | 0 | 0 | 0 | 113.6 | S39 Q40 | H37-S39 PolarHBondContact ND1-N 3.06Å; H37-S39 PolarHBondContact ND1-OG 2.92Å; H37-S39 PolarHBondContact O-N 3.3Å; H37-S39 VanDerWaalsContact O-N 3.1Å; H37-Q40 WeakPolarHBondContact O-CB 3.41Å; H37-Q40 PolarHBondContact O-N 3.41Å |
| 38 | V | 83.1 | Confident | 78.3 | Confident | 96 Ų | 96 | 99.7 Ų | 99.7 | 58% | 0.582 | 55% | 0.55 | S | S | * | * | G | 310 helix | trans | -61.4 | -25.7 | -174.6 | -178.9 | 0 | 0 | 0 | 0 | 113 | Q40 L41 R46 | V38-Q40 PolarHBondContact O-N 2.97Å; V38-L41 PolarHBondContact O-N 3.34Å; V38-R46 PolarHBondContact O-NH2 3.43Å |
| 39 | S | 82.8 | Confident | 80.6 | Confident | 90 Ų | 90 | 100.4 Ų | 100.4 | 63% | 0.629 | 54% | 0.539 | S | S | * | . | G | 310 helix | trans | -65.3 | -23.5 | 175.5 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | H37 L41 | H37-S39 PolarHBondContact ND1-N 3.06Å; H37-S39 PolarHBondContact ND1-OG 2.92Å; H37-S39 PolarHBondContact O-N 3.3Å; H37-S39 VanDerWaalsContact O-N 3.1Å; S39-L41 VanDerWaalsContact C-N 3.29Å; S39-L41 PolarHBondContact O-N 3.5Å |
| 40 | Q | 84.7 | Confident | 83 | Confident | 95 Ų | 95 | 99.7 Ų | 99.7 | 44% | 0.444 | 53% | 0.533 | S | S | . | . | G | 310 helix | trans | -82.7 | -4.6 | -179.7 | -60.8 | 164.7 | -13.1 | 0 | 0 | 112.9 | I35 T36 H37 V38 R42 | I35-Q40 HydrophobicContact CG2-CB 4.14Å; T36-Q40 PolarHBondContact OG1-NE2 3.43Å; T36-Q40 PolarHBondContact OG1-OE1 2.99Å; H37-Q40 WeakPolarHBondContact O-CB 3.41Å; H37-Q40 PolarHBondContact O-N 3.41Å; V38-Q40 PolarHBondContact O-N 2.97Å; Q40-R42 PolarHBondContact O-N 2.87Å |
| 41 | L | 86.9 | Confident | 85.1 | Confident | 32 Ų | 32 | 99 Ų | 99 | 17% | 0.168 | 53% | 0.528 | C | S | . | . | trans | -72.7 | 112.5 | 175.8 | -84.1 | 83.4 | 0 | 0 | 0 | 110.8 | I35 V38 S39 H45 R46 I49 | I35-L41 HydrophobicContact CG2-CD1 3.63Å; V38-L41 PolarHBondContact O-N 3.34Å; S39-L41 VanDerWaalsContact C-N 3.29Å; S39-L41 PolarHBondContact O-N 3.5Å; L41-H45 HydrophobicContact CB-CB 4.37Å; L41-H45 HydrophobicContact CD2-CB 4.15Å; L41-H45 HydrophobicContact CG-CB 4.21Å; L41-R46 HydrophobicContact CB-CG 4.03Å; L41-R46 HydrophobicContact CD2-CG 4.36Å; L41-R46 VanDerWaalsContact O-CZ 3.29Å; L41-R46 PolarHBondContact O-NE 3.36Å; L41-R46 PolarHBondContact O-NH2 3.13Å; L41-I49 HydrophobicContact CD2-CD1 3.26Å | ||
| 42 | R | 88.9 | Confident | 87.1 | Confident | 137 Ų | 137 | 96.4 Ų | 96.4 | 52% | 0.517 | 51% | 0.514 | S | S | . | . | trans | -61.8 | 160.4 | 163.6 | -67.2 | -173.3 | -78.2 | 157.1 | -2.7 | 112.1 | Q40 H44 H45 R46 | Q40-R42 PolarHBondContact O-N 2.87Å; R42-H44 VanDerWaalsContact C-N 3.34Å; R42-H44 WeakPolarHBondContact CB-CE1 3.18Å; R42-H44 PolarHBondContact NE-CE1 3.43Å; R42-H44 PolarHBondContact NH1-CE1 3.09Å; R42-H44 PolarHBondContact O-N 3.17Å; R42-H45 WeakPolarHBondContact O-CB 3.49Å; R42-H45 PolarHBondContact O-N 3.28Å; R42-H45 VanDerWaalsContact O-N 3.1Å; R42-R46 PolarHBondContact O-N 2.98Å | ||
| 43 | D | 90 | Very high | 88.8 | Confident | 132 Ų | 132 | 97.7 Ų | 97.7 | 71% | 0.706 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.8 | -36.3 | -172.9 | -65.3 | -42.5 | 0 | 0 | 0 | 114.1 | H45 R46 A47 | D43-H45 PolarHBondContact O-N 3.12Å; D43-R46 PolarHBondContact O-N 3.37Å; D43-A47 WeakPolarHBondContact O-CB 3.45Å; D43-A47 PolarHBondContact O-N 2.88Å |
| 44 | H | 92.3 | Very high | 90 | Very high | 86 Ų | 86 | 100.2 Ų | 100.2 | 40% | 0.398 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.7 | -39.5 | 175.4 | 52.9 | -90.1 | 0 | 0 | 0 | 112 | R42 R46 A47 T48 | R42-H44 VanDerWaalsContact C-N 3.34Å; R42-H44 WeakPolarHBondContact CB-CE1 3.18Å; R42-H44 PolarHBondContact NE-CE1 3.43Å; R42-H44 PolarHBondContact NH1-CE1 3.09Å; R42-H44 PolarHBondContact O-N 3.17Å; H44-R46 VanDerWaalsContact C-N 3.31Å; H44-R46 PolarHBondContact O-N 2.95Å; H44-A47 PolarHBondContact O-N 3.18Å; H44-T48 WeakPolarHBondContact O-CB 3.3Å; H44-T48 PolarHBondContact O-N 2.91Å; H44-T48 PolarHBondContact O-OG1 2.76Å |
| 45 | H | 93.8 | Very high | 91.1 | Very high | 54 Ų | 54 | 101.1 Ų | 101.1 | 25% | 0.25 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 174 | -58.5 | 137.9 | 0 | 0 | 0 | 110.9 | L41 R42 D43 A47 T48 I49 | L41-H45 HydrophobicContact CB-CB 4.37Å; L41-H45 HydrophobicContact CD2-CB 4.15Å; L41-H45 HydrophobicContact CG-CB 4.21Å; R42-H45 WeakPolarHBondContact O-CB 3.49Å; R42-H45 PolarHBondContact O-N 3.28Å; R42-H45 VanDerWaalsContact O-N 3.1Å; D43-H45 PolarHBondContact O-N 3.12Å; H45-A47 PolarHBondContact O-N 3.21Å; H45-T48 PolarHBondContact O-N 3.34Å; H45-I49 WeakPolarHBondContact O-CB 3.34Å; H45-I49 WeakPolarHBondContact O-CD1 3.42Å; H45-I49 WeakPolarHBondContact O-CG1 3.44Å; H45-I49 PolarHBondContact O-N 2.98Å |
| 46 | R | 92.2 | Very high | 92.1 | Very high | 86 Ų | 86 | 102 Ų | 102 | 33% | 0.325 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.1 | -40.8 | 178.5 | -61.4 | 178.5 | -171.7 | -80 | -5.8 | 111.6 | V38 L41 R42 D43 H44 K50 | V38-R46 PolarHBondContact O-NH2 3.43Å; L41-R46 HydrophobicContact CB-CG 4.03Å; L41-R46 HydrophobicContact CD2-CG 4.36Å; L41-R46 VanDerWaalsContact O-CZ 3.29Å; L41-R46 PolarHBondContact O-NE 3.36Å; L41-R46 PolarHBondContact O-NH2 3.13Å; R42-R46 PolarHBondContact O-N 2.98Å; D43-R46 PolarHBondContact O-N 3.37Å; H44-R46 VanDerWaalsContact C-N 3.31Å; H44-R46 PolarHBondContact O-N 2.95Å; R46-K50 WeakPolarHBondContact O-CG 3.5Å; R46-K50 PolarHBondContact O-N 3.33Å |
| 47 | A | 95.1 | Very high | 92.8 | Very high | 52 Ų | 52 | 102.9 Ų | 102.9 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63 | -49.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D43 H44 H45 I49 K50 V51 | D43-A47 WeakPolarHBondContact O-CB 3.45Å; D43-A47 PolarHBondContact O-N 2.88Å; H44-A47 PolarHBondContact O-N 3.18Å; H45-A47 PolarHBondContact O-N 3.21Å; A47-I49 VanDerWaalsContact C-N 3.34Å; A47-I49 PolarHBondContact O-N 2.91Å; A47-K50 WeakPolarHBondContact O-CB 3.49Å; A47-K50 PolarHBondContact O-N 3.18Å; A47-K50 VanDerWaalsContact O-N 3.14Å; A47-V51 WeakPolarHBondContact O-CG2 3.31Å; A47-V51 PolarHBondContact O-N 2.89Å |
| 48 | T | 96.1 | Very high | 93.4 | Very high | 80 Ų | 80 | 102.3 Ų | 102.3 | 49% | 0.491 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59 | -44.1 | 177.1 | -60.1 | 0 | 0 | 0 | 0 | 111.8 | H44 H45 K50 V51 I52 | H44-T48 WeakPolarHBondContact O-CB 3.3Å; H44-T48 PolarHBondContact O-N 2.91Å; H44-T48 PolarHBondContact O-OG1 2.76Å; H45-T48 PolarHBondContact O-N 3.34Å; T48-K50 PolarHBondContact O-N 3.39Å; T48-V51 PolarHBondContact O-N 3.44Å; T48-I52 HydrophobicContact CG2-CD1 3.91Å; T48-I52 HydrophobicContact CG2-CG1 4.48Å; T48-I52 WeakPolarHBondContact O-CG1 3.25Å; T48-I52 PolarHBondContact O-N 3.19Å |
| 49 | I | 95.4 | Very high | 94.1 | Very high | 76 Ų | 76 | 101.7 Ų | 101.7 | 39% | 0.39 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.3 | -44.4 | 175.9 | -70.4 | 163.6 | 0 | 0 | 0 | 111 | L41 H45 A47 V51 I52 R53 | L41-I49 HydrophobicContact CD2-CD1 3.26Å; H45-I49 WeakPolarHBondContact O-CB 3.34Å; H45-I49 WeakPolarHBondContact O-CD1 3.42Å; H45-I49 WeakPolarHBondContact O-CG1 3.44Å; H45-I49 PolarHBondContact O-N 2.98Å; A47-I49 VanDerWaalsContact C-N 3.34Å; A47-I49 PolarHBondContact O-N 2.91Å; I49-V51 VanDerWaalsContact C-N 3.3Å; I49-V51 PolarHBondContact O-N 2.94Å; I49-I52 PolarHBondContact O-N 2.93Å; I49-R53 HydrophobicContact CG2-CG 4.1Å; I49-R53 WeakPolarHBondContact O-CB 3.46Å; I49-R53 WeakPolarHBondContact O-CG 3.42Å; I49-R53 PolarHBondContact O-N 3.44Å |
| 50 | K | 97.1 | Very high | 94.8 | Very high | 155 Ų | 155 | 100.1 Ų | 100.1 | 67% | 0.674 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59 | -41.8 | 176.9 | -74.8 | 173 | -177.2 | 178 | 0 | 111.6 | R46 A47 T48 R54 | R46-K50 WeakPolarHBondContact O-CG 3.5Å; R46-K50 PolarHBondContact O-N 3.33Å; A47-K50 WeakPolarHBondContact O-CB 3.49Å; A47-K50 PolarHBondContact O-N 3.18Å; A47-K50 VanDerWaalsContact O-N 3.14Å; T48-K50 PolarHBondContact O-N 3.39Å; K50-R54 WeakPolarHBondContact O-CB 3.36Å; K50-R54 PolarHBondContact O-N 3.37Å |
| 51 | V | 98.1 | Very high | 95.4 | Very high | 88 Ų | 88 | 99.8 Ų | 99.8 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.2 | -51 | 177.4 | 175.5 | 0 | 0 | 0 | 0 | 110.8 | A47 T48 I49 R53 R54 M55 | A47-V51 WeakPolarHBondContact O-CG2 3.31Å; A47-V51 PolarHBondContact O-N 2.89Å; T48-V51 PolarHBondContact O-N 3.44Å; I49-V51 VanDerWaalsContact C-N 3.3Å; I49-V51 PolarHBondContact O-N 2.94Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.5Å; V51-R54 PolarHBondContact O-N 3.13Å; V51-R54 VanDerWaalsContact O-N 3.08Å; V51-M55 HydrophobicContact CG1-CG 4.5Å; V51-M55 HydrophobicContact CG1-SD 4.12Å; V51-M55 WeakPolarHBondContact O-CG 3.45Å; V51-M55 PolarHBondContact O-N 3.42Å |
| 52 | I | 97.8 | Very high | 95.8 | Very high | 83 Ų | 83 | 104.4 Ų | 104.4 | 43% | 0.426 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -56.8 | -46.4 | 178.1 | -67 | 168.6 | 0 | 0 | 0 | 110.6 | T48 I49 R54 M55 Q56 | T48-I52 HydrophobicContact CG2-CD1 3.91Å; T48-I52 HydrophobicContact CG2-CG1 4.48Å; T48-I52 WeakPolarHBondContact O-CG1 3.25Å; T48-I52 PolarHBondContact O-N 3.19Å; I49-I52 PolarHBondContact O-N 2.93Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 3.17Å; I52-M55 PolarHBondContact O-N 2.89Å; I52-Q56 HydrophobicContact CG2-CG 4.44Å; I52-Q56 WeakPolarHBondContact O-CG 3.38Å; I52-Q56 PolarHBondContact O-N 2.94Å |
| 53 | R | 98.2 | Very high | 95.8 | Very high | 165 Ų | 165 | 104.6 Ų | 104.6 | 62% | 0.623 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -61.7 | -39.8 | 177.7 | -71 | -66.6 | -170.8 | -174.5 | 5.1 | 112 | I49 V51 Q56 Y57 | I49-R53 HydrophobicContact CG2-CG 4.1Å; I49-R53 WeakPolarHBondContact O-CB 3.46Å; I49-R53 WeakPolarHBondContact O-CG 3.42Å; I49-R53 PolarHBondContact O-N 3.44Å; V51-R53 VanDerWaalsContact C-N 3.31Å; V51-R53 PolarHBondContact O-N 3.5Å; R53-Q56 PolarHBondContact O-N 2.98Å; R53-Y57 WeakPolarHBondContact O-CB 3.49Å; R53-Y57 PolarHBondContact O-N 2.8Å |
| 54 | R | 97.6 | Very high | 96.1 | Very high | 171 Ų | 171 | 104.7 Ų | 104.7 | 65% | 0.645 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68.3 | -37.7 | 177.6 | -167.4 | 150.8 | -175.9 | 156.6 | -2.6 | 112.2 | K50 V51 I52 Y57 F58 | K50-R54 WeakPolarHBondContact O-CB 3.36Å; K50-R54 PolarHBondContact O-N 3.37Å; V51-R54 PolarHBondContact O-N 3.13Å; V51-R54 VanDerWaalsContact O-N 3.08Å; I52-R54 VanDerWaalsContact C-N 3.33Å; I52-R54 PolarHBondContact O-N 3.17Å; R54-Y57 PolarHBondContact O-N 3.06Å; R54-F58 HydrophobicContact CG-CD2 4.26Å; R54-F58 HydrophobicContact CG-CE2 3.8Å; R54-F58 WeakPolarHBondContact O-CD2 3.25Å; R54-F58 PolarHBondContact O-N 3.5Å; R54-F58 VanDerWaalsContact O-N 3.13Å |
| 55 | M | 97.8 | Very high | 96.1 | Very high | 126 Ų | 126 | 105.5 Ų | 105.5 | 62% | 0.621 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.9 | -48 | 172.4 | -65.2 | 175.2 | 98.3 | 0 | 0 | 111.3 | V51 I52 Y57 F58 V59 | V51-M55 HydrophobicContact CG1-CG 4.5Å; V51-M55 HydrophobicContact CG1-SD 4.12Å; V51-M55 WeakPolarHBondContact O-CG 3.45Å; V51-M55 PolarHBondContact O-N 3.42Å; I52-M55 PolarHBondContact O-N 2.89Å; M55-Y57 VanDerWaalsContact C-N 3.3Å; M55-Y57 PolarHBondContact O-N 2.97Å; M55-F58 PolarHBondContact O-N 2.95Å; M55-F58 VanDerWaalsContact O-N 3.16Å; M55-V59 PolarHBondContact O-N 3.23Å; M55-V59 VanDerWaalsContact O-N 3.07Å |
| 56 | Q | 97.7 | Very high | 95.8 | Very high | 101 Ų | 101 | 106.3 Ų | 106.3 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.9 | -41.6 | 175.2 | -73.5 | 178.6 | -15.6 | 0 | 0 | 112 | I52 R53 F58 V59 A60 | I52-Q56 HydrophobicContact CG2-CG 4.44Å; I52-Q56 WeakPolarHBondContact O-CG 3.38Å; I52-Q56 PolarHBondContact O-N 2.94Å; R53-Q56 PolarHBondContact O-N 2.98Å; Q56-F58 PolarHBondContact O-N 3.16Å; Q56-V59 PolarHBondContact O-N 2.95Å; Q56-A60 WeakPolarHBondContact O-CB 3.24Å; Q56-A60 PolarHBondContact O-N 2.88Å |
| 57 | Y | 98.1 | Very high | 95.6 | Very high | 136 Ų | 136 | 106.3 Ų | 106.3 | 53% | 0.533 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 175.7 | 169.8 | -99.3 | 0 | 0 | 0 | 112.1 | R53 R54 M55 A60 K61 | R53-Y57 WeakPolarHBondContact O-CB 3.49Å; R53-Y57 PolarHBondContact O-N 2.8Å; R54-Y57 PolarHBondContact O-N 3.06Å; M55-Y57 VanDerWaalsContact C-N 3.3Å; M55-Y57 PolarHBondContact O-N 2.97Å; Y57-A60 PolarHBondContact O-N 3.2Å; Y57-K61 HydrophobicContact CE1-CD 4.24Å; Y57-K61 VanDerWaalsContact O-CB 3.3Å; Y57-K61 WeakPolarHBondContact O-CB 3.48Å; Y57-K61 PolarHBondContact O-N 2.84Å |
| 58 | F | 98.2 | Very high | 95.4 | Very high | 107 Ų | 107 | 113.2 Ų | 113.2 | 47% | 0.469 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -37 | 177.7 | -73.9 | -54.4 | 0 | 0 | 0 | 112.9 | R54 M55 Q56 K61 K62 | R54-F58 HydrophobicContact CG-CD2 4.26Å; R54-F58 HydrophobicContact CG-CE2 3.8Å; R54-F58 WeakPolarHBondContact O-CD2 3.25Å; R54-F58 PolarHBondContact O-N 3.5Å; R54-F58 VanDerWaalsContact O-N 3.13Å; M55-F58 PolarHBondContact O-N 2.95Å; M55-F58 VanDerWaalsContact O-N 3.16Å; Q56-F58 PolarHBondContact O-N 3.16Å; F58-K61 PolarHBondContact O-N 3.28Å; F58-K62 WeakPolarHBondContact O-CB 3.32Å; F58-K62 PolarHBondContact O-N 2.87Å |
| 59 | V | 97.2 | Very high | 95 | Very high | 83 Ų | 83 | 116.6 Ų | 116.6 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 171.8 | 175 | 0 | 0 | 0 | 0 | 110.5 | M55 Q56 K61 K62 K63 | M55-V59 PolarHBondContact O-N 3.23Å; M55-V59 VanDerWaalsContact O-N 3.07Å; Q56-V59 PolarHBondContact O-N 2.95Å; V59-K61 PolarHBondContact O-N 3.26Å; V59-K62 PolarHBondContact O-N 3.47Å; V59-K63 HydrophobicContact CG1-CD 4.36Å; V59-K63 WeakPolarHBondContact O-CG 3.4Å; V59-K63 PolarHBondContact O-N 3.07Å |
| 60 | A | 97.3 | Very high | 94.7 | Very high | 57 Ų | 57 | 118.6 Ų | 118.6 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -62.3 | -43.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | Q56 Y57 K62 K63 F64 | Q56-A60 WeakPolarHBondContact O-CB 3.24Å; Q56-A60 PolarHBondContact O-N 2.88Å; Y57-A60 PolarHBondContact O-N 3.2Å; A60-K62 PolarHBondContact O-N 3.32Å; A60-K63 PolarHBondContact O-N 2.89Å; A60-F64 VanDerWaalsContact O-CB 3.32Å; A60-F64 WeakPolarHBondContact O-CB 3.5Å; A60-F64 PolarHBondContact O-N 3.33Å |
| 61 | K | 97.2 | Very high | 94.3 | Very high | 88 Ų | 88 | 121.7 Ų | 121.7 | 38% | 0.383 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -59.7 | -46.1 | 175.5 | -178.4 | -179.8 | 177.5 | 179.5 | 0 | 111.4 | Y57 F58 V59 F64 Q65 | Y57-K61 HydrophobicContact CE1-CD 4.24Å; Y57-K61 VanDerWaalsContact O-CB 3.3Å; Y57-K61 WeakPolarHBondContact O-CB 3.48Å; Y57-K61 PolarHBondContact O-N 2.84Å; F58-K61 PolarHBondContact O-N 3.28Å; V59-K61 PolarHBondContact O-N 3.26Å; K61-F64 PolarHBondContact O-N 3.13Å; K61-Q65 WeakPolarHBondContact O-CB 3.36Å; K61-Q65 VanDerWaalsContact O-CG 3.29Å; K61-Q65 WeakPolarHBondContact O-CG 3.49Å; K61-Q65 PolarHBondContact O-N 3.46Å |
| 62 | K | 94.8 | Very high | 93.8 | Very high | 129 Ų | 129 | 121.7 Ų | 121.7 | 56% | 0.561 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -63.5 | -46.3 | 178.2 | -172.5 | 179.2 | 176.8 | -175.9 | 0 | 111.2 | F58 V59 A60 F64 Q65 Q66 | F58-K62 WeakPolarHBondContact O-CB 3.32Å; F58-K62 PolarHBondContact O-N 2.87Å; V59-K62 PolarHBondContact O-N 3.47Å; A60-K62 PolarHBondContact O-N 3.32Å; K62-F64 VanDerWaalsContact C-N 3.35Å; K62-F64 PolarHBondContact O-N 3.21Å; K62-Q65 PolarHBondContact O-N 2.93Å; K62-Q66 WeakPolarHBondContact O-CG 3.37Å; K62-Q66 PolarHBondContact O-N 2.81Å |
| 63 | K | 90.3 | Very high | 93.5 | Very high | 141 Ų | 141 | 123 Ų | 123 | 61% | 0.613 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -60.6 | -42.2 | 176 | -74.4 | -171.5 | 173.9 | -169.4 | 0 | 112.3 | V59 A60 Q66 A67 | V59-K63 HydrophobicContact CG1-CD 4.36Å; V59-K63 WeakPolarHBondContact O-CG 3.4Å; V59-K63 PolarHBondContact O-N 3.07Å; A60-K63 PolarHBondContact O-N 2.89Å; K63-Q66 PolarHBondContact O-N 3.26Å; K63-A67 WeakPolarHBondContact O-CB 3.4Å; K63-A67 PolarHBondContact O-N 3.38Å |
| 64 | F | 95.1 | Very high | 93.1 | Very high | 135 Ų | 135 | 123.7 Ų | 123.7 | 59% | 0.592 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -64.2 | -43.2 | 176.6 | -178.2 | -99.6 | 0 | 0 | 0 | 112.1 | A60 K61 K62 A67 R68 | A60-F64 VanDerWaalsContact O-CB 3.32Å; A60-F64 WeakPolarHBondContact O-CB 3.5Å; A60-F64 PolarHBondContact O-N 3.33Å; K61-F64 PolarHBondContact O-N 3.13Å; K62-F64 VanDerWaalsContact C-N 3.35Å; K62-F64 PolarHBondContact O-N 3.21Å; F64-A67 PolarHBondContact O-N 3.19Å; F64-R68 HydrophobicContact CE1-CG 4.49Å; F64-R68 PolarHBondContact O-N 3.31Å |
| 65 | Q | 93.2 | Very high | 92.8 | Very high | 102 Ų | 102 | 117.8 Ų | 117.8 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -65.4 | -38 | 176.1 | -73.5 | 177.4 | -10 | 0 | 0 | 112.4 | K61 K62 R68 | K61-Q65 WeakPolarHBondContact O-CB 3.36Å; K61-Q65 VanDerWaalsContact O-CG 3.29Å; K61-Q65 WeakPolarHBondContact O-CG 3.49Å; K61-Q65 PolarHBondContact O-N 3.46Å; K62-Q65 PolarHBondContact O-N 2.93Å; Q65-R68 PolarHBondContact O-N 3.29Å |
| 66 | Q | 87.2 | Confident | 92.6 | Very high | 71 Ų | 71 | 116.4 Ų | 116.4 | 33% | 0.332 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.3 | -45 | 173.6 | -77.8 | 174.9 | -39.9 | 0 | 0 | 111.3 | K62 K63 R68 K69 | K62-Q66 WeakPolarHBondContact O-CG 3.37Å; K62-Q66 PolarHBondContact O-N 2.81Å; K63-Q66 PolarHBondContact O-N 3.26Å; Q66-R68 PolarHBondContact O-N 3.36Å; Q66-R68 VanDerWaalsContact O-N 3.11Å; Q66-K69 WeakPolarHBondContact O-CB 3.36Å; Q66-K69 PolarHBondContact O-N 3.44Å |
| 67 | A | 87.8 | Confident | 92.3 | Very high | 86 Ų | 86 | 117.1 Ų | 117.1 | 71% | 0.711 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.7 | -19.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | K63 F64 | K63-A67 WeakPolarHBondContact O-CB 3.4Å; K63-A67 PolarHBondContact O-N 3.38Å; F64-A67 PolarHBondContact O-N 3.19Å |
| 68 | R | 90.9 | Very high | 92 | Very high | 198 Ų | 198 | 115.4 Ų | 115.4 | 75% | 0.747 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.6 | -17.7 | 173.7 | -72.6 | -174.6 | 65.5 | 178.4 | 0.9 | 113.5 | F64 Q65 Q66 | F64-R68 HydrophobicContact CE1-CG 4.49Å; F64-R68 PolarHBondContact O-N 3.31Å; Q65-R68 PolarHBondContact O-N 3.29Å; Q66-R68 PolarHBondContact O-N 3.36Å; Q66-R68 VanDerWaalsContact O-N 3.11Å |
| 69 | K | 88.5 | Confident | 91.8 | Very high | 151 Ų | 151 | 117.5 Ų | 117.5 | 66% | 0.657 | 58% | 0.576 | S | S | * | * | S | Bend | trans | -88 | 143.2 | 177.8 | -62.9 | -179.6 | 180 | -174.3 | 0 | 108.5 | Q66 | Q66-K69 WeakPolarHBondContact O-CB 3.36Å; Q66-K69 PolarHBondContact O-N 3.44Å |
| 70 | P | 89.5 | Confident | 91.8 | Very high | 118 Ų | 118 | 121.6 Ų | 121.6 | 77% | 0.766 | 58% | 0.584 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 148.6 | 169.7 | 27 | -33.6 | 0 | 0 | 0 | 109.8 | D72 | P70-D72 PolarHBondContact O-N 2.85Š|
| 71 | Y | 87.3 | Confident | 91.7 | Very high | 220 Ų | 220 | 121.9 Ų | 121.9 | 86% | 0.863 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 128.9 | -178.2 | -66.6 | -76.6 | 0 | 0 | 0 | 111.6 | D75 | Y71-D75 VanDerWaalsContact CA-OD2 3.31Å; Y71-D75 WeakPolarHBondContact CA-OD2 3.3Å; Y71-D75 HydrophobicContact CD1-CB 4.37Å |
| 72 | D | 88.8 | Confident | 91.6 | Very high | 87 Ų | 87 | 123.5 Ų | 123.5 | 47% | 0.465 | 59% | 0.591 | S | S | . | * | P | Polyproline II helix | trans | -97.3 | 153.5 | 174.5 | -170.8 | -24.1 | 0 | 0 | 0 | 109.1 | P70 R74 D75 | P70-D72 PolarHBondContact O-N 2.85Å; D72-R74 HydrophobicContact CB-CB 4.26Å; D72-R74 PolarHBondContact O-N 3.15Å; D72-R74 PolarHBondContact OD1-N 3.4Å; D72-D75 PolarHBondContact N-OD2 3.23Å; D72-D75 WeakPolarHBondContact O-CB 3.48Å; D72-D75 PolarHBondContact O-N 3.33Å |
| 73 | V | 90.3 | Very high | 91.8 | Very high | 112 Ų | 112 | 119.3 Ų | 119.3 | 68% | 0.679 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -54.2 | -26.9 | 170.3 | -67.1 | 0 | 0 | 0 | 0 | 111.6 | D75 V76 I77 | V73-D75 VanDerWaalsContact C-N 3.3Å; V73-D75 PolarHBondContact O-N 3.19Å; V73-V76 PolarHBondContact O-N 3.11Å; V73-I77 WeakPolarHBondContact O-CG1 3.33Å; V73-I77 PolarHBondContact O-N 3.45Å |
| 74 | R | 91.2 | Very high | 92.1 | Very high | 178 Ų | 178 | 117.1 Ų | 117.1 | 67% | 0.672 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.5 | -36.3 | 171 | 179.6 | 173.7 | -82.8 | 170.2 | -5.4 | 113.2 | D72 V76 I77 E78 | D72-R74 HydrophobicContact CB-CB 4.26Å; D72-R74 PolarHBondContact O-N 3.15Å; D72-R74 PolarHBondContact OD1-N 3.4Å; R74-V76 VanDerWaalsContact C-N 3.35Å; R74-I77 PolarHBondContact O-N 3.1Å; R74-E78 WeakPolarHBondContact O-CB 3.31Å; R74-E78 PolarHBondContact O-N 3.09Å |
| 75 | D | 90.4 | Very high | 92.2 | Very high | 47 Ų | 47 | 115.1 Ų | 115.1 | 25% | 0.251 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -69.1 | -36.4 | -179.2 | -59 | -34.6 | 0 | 0 | 0 | 111.1 | Y71 D72 V73 E78 Q79 | Y71-D75 VanDerWaalsContact CA-OD2 3.31Å; Y71-D75 WeakPolarHBondContact CA-OD2 3.3Å; Y71-D75 HydrophobicContact CD1-CB 4.37Å; D72-D75 PolarHBondContact N-OD2 3.23Å; D72-D75 WeakPolarHBondContact O-CB 3.48Å; D72-D75 PolarHBondContact O-N 3.33Å; V73-D75 VanDerWaalsContact C-N 3.3Å; V73-D75 PolarHBondContact O-N 3.19Å; D75-E78 PolarHBondContact O-N 3.32Å; D75-Q79 VanDerWaalsContact O-CB 3.24Å; D75-Q79 WeakPolarHBondContact O-CB 3.42Å; D75-Q79 PolarHBondContact O-N 3.49Å |
| 76 | V | 93.7 | Very high | 92.4 | Very high | 97 Ų | 97 | 115.5 Ų | 115.5 | 59% | 0.588 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -64.2 | -43.5 | 174.6 | -179.3 | 0 | 0 | 0 | 0 | 110.7 | V73 R74 Y80 | V73-V76 PolarHBondContact O-N 3.11Å; R74-V76 VanDerWaalsContact C-N 3.35Å; V76-Y80 WeakPolarHBondContact O-CB 3.37Å; V76-Y80 PolarHBondContact O-N 3.49Å |
| 77 | I | 92.1 | Very high | 92.9 | Very high | 117 Ų | 117 | 116.8 Ų | 116.8 | 60% | 0.6 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -65.8 | -45.4 | 177.5 | -64.3 | 168.6 | 0 | 0 | 0 | 110.4 | V73 R74 Y80 S81 | V73-I77 WeakPolarHBondContact O-CG1 3.33Å; V73-I77 PolarHBondContact O-N 3.45Å; R74-I77 PolarHBondContact O-N 3.1Å; I77-Y80 PolarHBondContact O-N 3.39Å; I77-S81 WeakPolarHBondContact O-CB 3.18Å; I77-S81 PolarHBondContact O-N 2.94Å; I77-S81 PolarHBondContact O-OG 2.97Å |
| 78 | E | 92.2 | Very high | 93.4 | Very high | 100 Ų | 100 | 116.3 Ų | 116.3 | 47% | 0.467 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.5 | -44.1 | 179.8 | -170.5 | 168.4 | -159.7 | 0 | 0 | 110.9 | R74 D75 S81 Q82 | R74-E78 WeakPolarHBondContact O-CB 3.31Å; R74-E78 PolarHBondContact O-N 3.09Å; D75-E78 PolarHBondContact O-N 3.32Å; E78-S81 PolarHBondContact O-N 3.45Å; E78-S81 PolarHBondContact O-OG 3.39Å; E78-Q82 PolarHBondContact O-N 2.84Å |
| 79 | Q | 93.1 | Very high | 93.7 | Very high | 150 Ų | 150 | 111 Ų | 111 | 70% | 0.701 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -59.8 | -48 | 175.1 | -178.4 | 179.1 | -7.7 | 0 | 0 | 112 | D75 S81 Q82 G83 | D75-Q79 VanDerWaalsContact O-CB 3.24Å; D75-Q79 WeakPolarHBondContact O-CB 3.42Å; D75-Q79 PolarHBondContact O-N 3.49Å; Q79-S81 VanDerWaalsContact C-N 3.34Å; Q79-S81 PolarHBondContact O-N 3.19Å; Q79-Q82 PolarHBondContact O-N 3.12Å; Q79-G83 PolarHBondContact O-N 3.35Å |
| 80 | Y | 97.1 | Very high | 94.1 | Very high | 169 Ų | 169 | 112 Ų | 112 | 66% | 0.663 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -60.9 | -44.6 | 177.4 | -178 | -95 | 0 | 0 | 0 | 111.2 | V76 I77 Q82 G83 H84 | V76-Y80 WeakPolarHBondContact O-CB 3.37Å; V76-Y80 PolarHBondContact O-N 3.49Å; I77-Y80 PolarHBondContact O-N 3.39Å; Y80-Q82 VanDerWaalsContact C-N 3.34Å; Y80-Q82 PolarHBondContact O-N 3.31Å; Y80-G83 PolarHBondContact O-N 2.88Å; Y80-H84 WeakPolarHBondContact O-CB 3.46Å; Y80-H84 PolarHBondContact O-N 3.4Å |
| 81 | S | 95.9 | Very high | 94.4 | Very high | 64 Ų | 64 | 110 Ų | 110 | 45% | 0.448 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.1 | -40.7 | 179.4 | 77 | 0 | 0 | 0 | 0 | 112.7 | I77 E78 Q79 L85 | I77-S81 WeakPolarHBondContact O-CB 3.18Å; I77-S81 PolarHBondContact O-N 2.94Å; I77-S81 PolarHBondContact O-OG 2.97Å; E78-S81 PolarHBondContact O-N 3.45Å; E78-S81 PolarHBondContact O-OG 3.39Å; Q79-S81 VanDerWaalsContact C-N 3.34Å; Q79-S81 PolarHBondContact O-N 3.19Å; S81-L85 PolarHBondContact O-N 3.23Å |
| 82 | Q | 95.1 | Very high | 94.7 | Very high | 122 Ų | 122 | 105.7 Ų | 105.7 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.5 | -39.8 | 177 | -176.4 | 61.7 | 61.8 | 0 | 0 | 111.7 | E78 Q79 Y80 N86 | E78-Q82 PolarHBondContact O-N 2.84Å; Q79-Q82 PolarHBondContact O-N 3.12Å; Y80-Q82 VanDerWaalsContact C-N 3.34Å; Y80-Q82 PolarHBondContact O-N 3.31Å; Q82-N86 WeakPolarHBondContact O-CB 3.29Å; Q82-N86 PolarHBondContact O-N 3.27Å |
| 83 | G | 97.8 | Very high | 95 | Very high | 41 Ų | 41 | 104.4 Ų | 104.4 | 42% | 0.423 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.9 | -45.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q79 Y80 N86 L87 | Q79-G83 PolarHBondContact O-N 3.35Å; Y80-G83 PolarHBondContact O-N 2.88Å; G83-N86 PolarHBondContact O-N 2.94Å; G83-L87 WeakPolarHBondContact O-CB 3.37Å; G83-L87 PolarHBondContact O-N 3.21Å |
| 84 | H | 98.1 | Very high | 95.2 | Very high | 95 Ų | 95 | 103.7 Ų | 103.7 | 44% | 0.44 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.4 | -46.4 | 177 | -175.5 | -94.3 | 0 | 0 | 0 | 111.6 | Y80 N86 L87 M88 | Y80-H84 WeakPolarHBondContact O-CB 3.46Å; Y80-H84 PolarHBondContact O-N 3.4Å; H84-N86 PolarHBondContact O-N 3.01Å; H84-L87 PolarHBondContact O-N 3.48Å; H84-M88 WeakPolarHBondContact CE1-CE 3.34Å; H84-M88 WeakPolarHBondContact O-CB 3.41Å; H84-M88 PolarHBondContact O-N 3.25Å |
| 85 | L | 97.1 | Very high | 95.2 | Very high | 93 Ų | 93 | 100.2 Ų | 100.2 | 49% | 0.487 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 176 | 179 | 61.7 | 0 | 0 | 0 | 112.1 | S81 L87 M88 V89 | S81-L85 PolarHBondContact O-N 3.23Å; L85-L87 PolarHBondContact O-N 2.9Å; L85-M88 PolarHBondContact O-N 2.86Å; L85-V89 HydrophobicContact CD1-CG2 4.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 2.96Å |
| 86 | N | 97.4 | Very high | 95 | Very high | 110 Ų | 110 | 102.9 Ų | 102.9 | 59% | 0.588 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.2 | -44.6 | 179.2 | -175.4 | 36.8 | 0 | 0 | 0 | 111.7 | Q82 G83 H84 M88 V89 R90 | Q82-N86 WeakPolarHBondContact O-CB 3.29Å; Q82-N86 PolarHBondContact O-N 3.27Å; G83-N86 PolarHBondContact O-N 2.94Å; H84-N86 PolarHBondContact O-N 3.01Å; N86-M88 VanDerWaalsContact C-N 3.34Å; N86-M88 PolarHBondContact O-N 3.25Å; N86-V89 PolarHBondContact O-N 2.79Å; N86-R90 WeakPolarHBondContact O-CB 3.43Å; N86-R90 PolarHBondContact O-N 2.92Å |
| 87 | L | 97.6 | Very high | 94.7 | Very high | 98 Ų | 98 | 105.1 Ų | 105.1 | 51% | 0.513 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -44.1 | 175.6 | -178.6 | 59.7 | 0 | 0 | 0 | 111.1 | G83 H84 L85 V89 R90 I91 | G83-L87 WeakPolarHBondContact O-CB 3.37Å; G83-L87 PolarHBondContact O-N 3.21Å; H84-L87 PolarHBondContact O-N 3.48Å; L85-L87 PolarHBondContact O-N 2.9Å; L87-V89 PolarHBondContact O-N 3.49Å; L87-R90 PolarHBondContact O-N 3.28Å; L87-I91 HydrophobicContact CD1-CD1 4.21Å; L87-I91 HydrophobicContact CD1-CG1 4.36Å; L87-I91 HydrophobicContact CG-CD1 3.95Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 2.86Å |
| 88 | M | 97.2 | Very high | 94.3 | Very high | 76 Ų | 76 | 103.4 Ų | 103.4 | 37% | 0.374 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 178.7 | -173.6 | 178.9 | -64.5 | 0 | 0 | 112.7 | H84 L85 N86 R90 I91 K92 | H84-M88 WeakPolarHBondContact CE1-CE 3.34Å; H84-M88 WeakPolarHBondContact O-CB 3.41Å; H84-M88 PolarHBondContact O-N 3.25Å; L85-M88 PolarHBondContact O-N 2.86Å; N86-M88 VanDerWaalsContact C-N 3.34Å; N86-M88 PolarHBondContact O-N 3.25Å; M88-R90 VanDerWaalsContact C-N 3.33Å; M88-R90 PolarHBondContact O-N 3Å; M88-I91 PolarHBondContact O-N 2.92Å; M88-K92 WeakPolarHBondContact O-CG 3.48Å; M88-K92 PolarHBondContact O-N 2.87Å |
| 89 | V | 97.1 | Very high | 93.7 | Very high | 85 Ų | 85 | 102.1 Ų | 102.1 | 52% | 0.515 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.4 | 171.8 | 0 | 0 | 0 | 0 | 110.9 | L85 N86 L87 K92 E93 | L85-V89 HydrophobicContact CD1-CG2 4.33Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 2.96Å; N86-V89 PolarHBondContact O-N 2.79Å; L87-V89 PolarHBondContact O-N 3.49Å; V89-K92 PolarHBondContact O-N 3.06Å; V89-E93 PolarHBondContact O-N 3.36Å |
| 90 | R | 96.9 | Very high | 93 | Very high | 172 Ų | 172 | 100.7 Ų | 100.7 | 65% | 0.649 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63 | -43.8 | 176.1 | -175.1 | 174.3 | 177.3 | -170.6 | -1.5 | 112.2 | N86 L87 M88 E93 L94 | N86-R90 WeakPolarHBondContact O-CB 3.43Å; N86-R90 PolarHBondContact O-N 2.92Å; L87-R90 PolarHBondContact O-N 3.28Å; M88-R90 VanDerWaalsContact C-N 3.33Å; M88-R90 PolarHBondContact O-N 3Å; R90-E93 PolarHBondContact O-N 3.49Å; R90-L94 HydrophobicContact CG-CD1 4.31Å; R90-L94 WeakPolarHBondContact O-CB 3.45Å; R90-L94 WeakPolarHBondContact O-CG 3.46Å; R90-L94 PolarHBondContact O-N 3.21Å |
| 91 | I | 95.8 | Very high | 92 | Very high | 77 Ų | 77 | 95 Ų | 95 | 40% | 0.395 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.1 | -46.3 | 175.5 | -70.6 | 168.9 | 0 | 0 | 0 | 110.2 | L87 M88 E93 L94 Q95 | L87-I91 HydrophobicContact CD1-CD1 4.21Å; L87-I91 HydrophobicContact CD1-CG1 4.36Å; L87-I91 HydrophobicContact CG-CD1 3.95Å; L87-I91 WeakPolarHBondContact O-CG1 3.41Å; L87-I91 PolarHBondContact O-N 2.86Å; M88-I91 PolarHBondContact O-N 2.92Å; I91-E93 PolarHBondContact O-N 2.88Å; I91-L94 PolarHBondContact O-N 3.2Å; I91-Q95 HydrophobicContact CG2-CG 4.35Å; I91-Q95 WeakPolarHBondContact O-CB 3.46Å; I91-Q95 VanDerWaalsContact O-CG 3.3Å; I91-Q95 WeakPolarHBondContact O-CG 3.46Å; I91-Q95 PolarHBondContact O-N 3.34Å |
| 92 | K | 94.9 | Very high | 90.7 | Very high | 129 Ų | 129 | 94.7 Ų | 94.7 | 56% | 0.561 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -61.8 | -40.9 | 177.9 | -76.3 | -179.5 | 175.6 | 179.3 | 0 | 112.9 | M88 V89 Q95 R96 | M88-K92 WeakPolarHBondContact O-CG 3.48Å; M88-K92 PolarHBondContact O-N 2.87Å; V89-K92 PolarHBondContact O-N 3.06Å; K92-Q95 PolarHBondContact O-N 3.43Å; K92-R96 WeakPolarHBondContact O-CB 3.35Å; K92-R96 PolarHBondContact O-N 3.3Å |
| 93 | E | 94.9 | Very high | 89.3 | Confident | 61 Ų | 61 | 89.1 Ų | 89.1 | 29% | 0.285 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 176.7 | 174.7 | 58.3 | -168 | 0 | 0 | 111.9 | V89 R90 I91 R96 R97 | V89-E93 PolarHBondContact O-N 3.36Å; R90-E93 PolarHBondContact O-N 3.49Å; I91-E93 PolarHBondContact O-N 2.88Å; E93-R96 PolarHBondContact O-N 2.97Å; E93-R96 IonicContact OE1-CZ 3.29Å; E93-R96 IonicContact OE1-NE 3.75Å; E93-R96 IonicContact OE1-NH2 2.75Å; E93-R96 PolarHBondContact OE1-NH2 3.4Å; E93-R96 IonicContact OE2-CZ 2.76Å; E93-R96 IonicContact OE2-NE 2.76Å; E93-R96 PolarHBondContact OE2-NE 3.42Å; E93-R96 IonicContact OE2-NH2 3.12Å; E93-R96 PolarHBondContact OE2-NH2 3.38Å; E93-R97 WeakPolarHBondContact O-CG 3.24Å; E93-R97 PolarHBondContact O-N 3.48Å; E93-R97 IonicContact OE1-CZ 3.38Å; E93-R97 IonicContact OE1-NE 3.65Å; E93-R97 PolarHBondContact OE1-NE 2.94Å; E93-R97 IonicContact OE1-NH2 3.45Å; E93-R97 PolarHBondContact OE1-NH2 3.44Å; E93-R97 VanDerWaalsContact OE1-NH2 3.12Å |
| 94 | L | 93.8 | Very high | 87.6 | Confident | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -63.5 | -44.9 | 174 | -73.8 | 173.2 | 0 | 0 | 0 | 111.6 | R90 I91 R97 L98 | R90-L94 HydrophobicContact CG-CD1 4.31Å; R90-L94 WeakPolarHBondContact O-CB 3.45Å; R90-L94 WeakPolarHBondContact O-CG 3.46Å; R90-L94 PolarHBondContact O-N 3.21Å; I91-L94 PolarHBondContact O-N 3.2Å; L94-R97 PolarHBondContact O-N 2.99Å; L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 2.74Å |
| 95 | Q | 90.3 | Very high | 85.6 | Confident | 106 Ų | 106 | 93.3 Ų | 93.3 | 50% | 0.495 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 173.6 | -74.7 | 168.4 | -12 | 0 | 0 | 110.9 | I91 K92 R97 L98 D99 | I91-Q95 HydrophobicContact CG2-CG 4.35Å; I91-Q95 WeakPolarHBondContact O-CB 3.46Å; I91-Q95 VanDerWaalsContact O-CG 3.3Å; I91-Q95 WeakPolarHBondContact O-CG 3.46Å; I91-Q95 PolarHBondContact O-N 3.34Å; K92-Q95 PolarHBondContact O-N 3.43Å; Q95-R97 VanDerWaalsContact C-N 3.31Å; Q95-R97 PolarHBondContact O-N 3.04Å; Q95-L98 PolarHBondContact O-N 3.48Å; Q95-L98 VanDerWaalsContact O-N 3.12Å; Q95-D99 WeakPolarHBondContact O-CB 3.47Å; Q95-D99 VanDerWaalsContact O-CG 3.3Å; Q95-D99 PolarHBondContact O-N 3.29Å |
| 96 | R | 86.4 | Confident | 83.5 | Confident | 103 Ų | 103 | 91.9 Ų | 91.9 | 39% | 0.389 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -56.7 | -43.3 | 177.3 | -170.8 | -165.5 | 68.6 | 74.5 | -0.4 | 112.3 | K92 E93 Q100 | K92-R96 WeakPolarHBondContact O-CB 3.35Å; K92-R96 PolarHBondContact O-N 3.3Å; E93-R96 PolarHBondContact O-N 2.97Å; E93-R96 IonicContact OE1-CZ 3.29Å; E93-R96 IonicContact OE1-NE 3.75Å; E93-R96 IonicContact OE1-NH2 2.75Å; E93-R96 PolarHBondContact OE1-NH2 3.4Å; E93-R96 IonicContact OE2-CZ 2.76Å; E93-R96 IonicContact OE2-NE 2.76Å; E93-R96 PolarHBondContact OE2-NE 3.42Å; E93-R96 IonicContact OE2-NH2 3.12Å; E93-R96 PolarHBondContact OE2-NH2 3.38Å; R96-Q100 WeakPolarHBondContact O-CB 3.1Å; R96-Q100 VanDerWaalsContact O-CG 3.24Å; R96-Q100 WeakPolarHBondContact O-CG 3.45Å; R96-Q100 PolarHBondContact O-N 3.36Å |
| 97 | R | 87.1 | Confident | 81.3 | Confident | 144 Ų | 144 | 91.7 Ų | 91.7 | 54% | 0.543 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -66.5 | -41.2 | 177.3 | -73.3 | 177.6 | -171.8 | -162.5 | 1.2 | 112 | E93 L94 Q95 Q100 S101 | E93-R97 WeakPolarHBondContact O-CG 3.24Å; E93-R97 PolarHBondContact O-N 3.48Å; E93-R97 IonicContact OE1-CZ 3.38Å; E93-R97 IonicContact OE1-NE 3.65Å; E93-R97 PolarHBondContact OE1-NE 2.94Å; E93-R97 IonicContact OE1-NH2 3.45Å; E93-R97 PolarHBondContact OE1-NH2 3.44Å; E93-R97 VanDerWaalsContact OE1-NH2 3.12Å; L94-R97 PolarHBondContact O-N 2.99Å; Q95-R97 VanDerWaalsContact C-N 3.31Å; Q95-R97 PolarHBondContact O-N 3.04Å; R97-Q100 PolarHBondContact O-N 3.43Å; R97-S101 WeakPolarHBondContact O-CB 3.39Å; R97-S101 PolarHBondContact O-N 3.47Å; R97-S101 PolarHBondContact O-OG 3.23Å |
| 98 | L | 84.7 | Confident | 79.1 | Confident | 80 Ų | 80 | 93.5 Ų | 93.5 | 42% | 0.419 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.7 | -47.7 | 178.6 | -169.4 | 154.6 | 0 | 0 | 0 | 110.8 | L94 Q95 Q100 S101 I102 | L94-L98 WeakPolarHBondContact O-CB 3.35Å; L94-L98 PolarHBondContact O-N 2.74Å; Q95-L98 PolarHBondContact O-N 3.48Å; Q95-L98 VanDerWaalsContact O-N 3.12Å; L98-Q100 PolarHBondContact O-N 2.82Å; L98-S101 PolarHBondContact O-N 3.36Å; L98-I102 HydrophobicContact CD1-CD1 4.35Å; L98-I102 HydrophobicContact CD2-CB 4.4Å; L98-I102 HydrophobicContact CD2-CD1 4.23Å; L98-I102 HydrophobicContact CD2-CG1 4.45Å; L98-I102 HydrophobicContact CG-CD1 3.8Å; L98-I102 HydrophobicContact CG-CG1 4.17Å; L98-I102 WeakPolarHBondContact O-CB 3.43Å; L98-I102 PolarHBondContact O-N 2.76Å |
| 99 | D | 79.7 | Confident | 76.8 | Confident | 74 Ų | 74 | 94.7 Ų | 94.7 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.5 | -33.3 | 177.8 | -71 | -26 | 0 | 0 | 0 | 112.1 | Q95 G103 | Q95-D99 WeakPolarHBondContact O-CB 3.47Å; Q95-D99 VanDerWaalsContact O-CG 3.3Å; Q95-D99 PolarHBondContact O-N 3.29Å; D99-G103 CarbonylContact O-C 3.57Å; D99-G103 WeakPolarHBondContact O-CA 3.42Å; D99-G103 PolarHBondContact O-N 2.87Å |
| 100 | Q | 78.3 | Confident | 74.3 | Confident | 120 Ų | 120 | 97 Ų | 97 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -81.2 | -37.1 | 177.9 | -73.1 | 179.4 | 2.8 | 0 | 0 | 113.8 | R96 R97 L98 T122 | R96-Q100 WeakPolarHBondContact O-CB 3.1Å; R96-Q100 VanDerWaalsContact O-CG 3.24Å; R96-Q100 WeakPolarHBondContact O-CG 3.45Å; R96-Q100 PolarHBondContact O-N 3.36Å; R97-Q100 PolarHBondContact O-N 3.43Å; L98-Q100 PolarHBondContact O-N 2.82Å; Q100-T122 WeakPolarHBondContact O-CG2 3.35Å |
| 101 | S | 75.4 | Confident | 71.9 | Confident | 49 Ų | 49 | 95 Ų | 95 | 34% | 0.343 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -87.3 | -43.6 | -174.7 | 66.2 | 0 | 0 | 0 | 0 | 112.3 | R97 L98 T122 I123 | R97-S101 WeakPolarHBondContact O-CB 3.39Å; R97-S101 PolarHBondContact O-N 3.47Å; R97-S101 PolarHBondContact O-OG 3.23Å; L98-S101 PolarHBondContact O-N 3.36Å; S101-T122 CarbonylContact O-C 3.5Å; S101-T122 WeakPolarHBondContact O-CA 3.49Å; S101-I123 WeakPolarHBondContact O-CG1 3.35Å; S101-I123 PolarHBondContact O-N 3.23Å |
| 102 | I | 69 | Low | 69.3 | Low | 58 Ų | 58 | 96.1 Ų | 96.1 | 30% | 0.297 | 49% | 0.492 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.9 | -28.6 | -176.9 | -45.3 | -167.1 | 0 | 0 | 0 | 110.2 | L98 F108 | L98-I102 HydrophobicContact CD1-CD1 4.35Å; L98-I102 HydrophobicContact CD2-CB 4.4Å; L98-I102 HydrophobicContact CD2-CD1 4.23Å; L98-I102 HydrophobicContact CD2-CG1 4.45Å; L98-I102 HydrophobicContact CG-CD1 3.8Å; L98-I102 HydrophobicContact CG-CG1 4.17Å; L98-I102 WeakPolarHBondContact O-CB 3.43Å; L98-I102 PolarHBondContact O-N 2.76Å; I102-F108 HydrophobicContact CG2-CE2 3.37Å; I102-F108 HydrophobicContact CG2-CZ 3.42Å; I102-F108 VanDerWaalsContact CG2-CZ 3.42Å |
| 103 | G | 64.9 | Low | 67.1 | Low | 4 Ų | 4 | 97.7 Ų | 97.7 | 4% | 0.041 | 50% | 0.501 | C | S | . | . | trans | 93.9 | 165.9 | -168.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | D99 | D99-G103 CarbonylContact O-C 3.57Å; D99-G103 WeakPolarHBondContact O-CA 3.42Å; D99-G103 PolarHBondContact O-N 2.87Å | ||
| 104 | K | 64 | Low | 64.7 | Low | 143 Ų | 143 | 104.1 Ų | 104.1 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | trans | -53.1 | 137.2 | -180 | -67.3 | -179.2 | 179.3 | 176.9 | 0 | 109.5 | S106 L107 | K104-S106 PolarHBondContact O-N 2.84Å; K104-L107 WeakPolarHBondContact O-CB 3.32Å; K104-L107 WeakPolarHBondContact O-CG 3.39Å; K104-L107 PolarHBondContact O-N 3.23Å | ||
| 105 | P | 55 | Low | 62.4 | Low | 81 Ų | 81 | 103.4 Ų | 103.4 | 53% | 0.526 | 53% | 0.531 | S | S | . | . | G | 310 helix | trans | -57.6 | -20.4 | 177.3 | 20.3 | -31 | 0 | 0 | 0 | 113.1 | L107 F108 | P105-L107 PolarHBondContact O-N 2.95Å; P105-F108 PolarHBondContact O-N 2.98Å; P105-F108 VanDerWaalsContact O-N 3.16Å |
| 106 | S | 52.6 | Low | 60.5 | Low | 64 Ų | 64 | 106.6 Ų | 106.6 | 45% | 0.448 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -61.9 | -14.5 | 169.1 | -169.7 | 0 | 0 | 0 | 0 | 114.7 | K104 F108 | K104-S106 PolarHBondContact O-N 2.84Å; S106-F108 VanDerWaalsContact C-N 3.34Å |
| 107 | L | 51.7 | Low | 58.5 | Low | 106 Ų | 106 | 108.4 Ų | 108.4 | 56% | 0.555 | 56% | 0.561 | S | S | * | * | G | 310 helix | trans | -79.8 | -16.3 | 174.9 | -65.6 | 175.3 | 0 | 0 | 0 | 112.8 | K104 P105 | K104-L107 WeakPolarHBondContact O-CB 3.32Å; K104-L107 WeakPolarHBondContact O-CG 3.39Å; K104-L107 PolarHBondContact O-N 3.23Å; P105-L107 PolarHBondContact O-N 2.95Å |
| 108 | F | 51.6 | Low | 56.6 | Low | 136 Ų | 136 | 112 Ų | 112 | 60% | 0.596 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -92.1 | -11.4 | 174.2 | -67.1 | -83.5 | 0 | 0 | 0 | 113 | I102 P105 S106 | I102-F108 HydrophobicContact CG2-CE2 3.37Å; I102-F108 HydrophobicContact CG2-CZ 3.42Å; I102-F108 VanDerWaalsContact CG2-CZ 3.42Å; P105-F108 PolarHBondContact O-N 2.98Å; P105-F108 VanDerWaalsContact O-N 3.16Å; S106-F108 VanDerWaalsContact C-N 3.34Å |
| 109 | I | 48.7 | Very low | 55.1 | Low | 101 Ų | 101 | 111 Ų | 111 | 52% | 0.518 | 58% | 0.584 | S | S | . | * | S | Bend | trans | -99.2 | 121.4 | 171.7 | -57.9 | 179.2 | 0 | 0 | 0 | 106.5 | I111 | I109-I111 HydrophobicContact CG2-CB 4.16Å; I109-I111 HydrophobicContact CG2-CD1 4.26Å; I109-I111 HydrophobicContact CG2-CG1 4.11Å; I109-I111 PolarHBondContact O-N 3.33Å |
| 110 | P | 43.9 | Very low | 54.1 | Low | 134 Ų | 134 | 110 Ų | 110 | 87% | 0.87 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -75.5 | 48 | -179.3 | 33 | -35.9 | 0 | 0 | 0 | 111.5 | ||
| 111 | I | 48.3 | Very low | 53.7 | Low | 130 Ų | 130 | 110.8 Ų | 110.8 | 67% | 0.667 | 59% | 0.591 | S | S | * | * | trans | -142.4 | 83.2 | 177.2 | -50.4 | 173.5 | 0 | 0 | 0 | 107.5 | I109 | I109-I111 HydrophobicContact CG2-CB 4.16Å; I109-I111 HydrophobicContact CG2-CD1 4.26Å; I109-I111 HydrophobicContact CG2-CG1 4.11Å; I109-I111 PolarHBondContact O-N 3.33Å | ||
| 112 | S | 40.4 | Very low | 54 | Low | 99 Ų | 99 | 109 Ų | 109 | 69% | 0.692 | 58% | 0.577 | S | S | * | * | 168.9 | 113.6 | 129.4 | -177.2 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 113 | E | 47.4 | Very low | 54.6 | Low | 163 Ų | 163 | 110.9 Ų | 110.9 | 76% | 0.762 | 59% | 0.587 | S | S | * | * | trans | -46.3 | 154 | 157.6 | -65.2 | 173.7 | 107.6 | 0 | 0 | 110.6 | ||||
| 114 | K | 45.3 | Very low | 55.4 | Low | 196 Ų | 196 | 111.4 Ų | 111.4 | 85% | 0.852 | 59% | 0.593 | S | S | * | * | trans | 83.1 | 60.4 | 163.7 | -38.7 | -168.7 | -171.6 | -178.9 | 0 | 116.4 | ||||
| 115 | S | 45.2 | Very low | 56.1 | Low | 81 Ų | 81 | 105.9 Ų | 105.9 | 57% | 0.566 | 57% | 0.573 | S | S | * | * | trans | -126.7 | 82.3 | 139.9 | 67.1 | 0 | 0 | 0 | 0 | 109.9 | D117 | S115-D117 PolarHBondContact O-N 3Š| ||
| 116 | K | 50.6 | Low | 57.6 | Low | 173 Ų | 173 | 109.2 Ų | 109.2 | 75% | 0.752 | 58% | 0.576 | S | S | * | * | trans | -72.7 | 74.3 | 167.9 | -175.5 | 176.8 | 178.8 | 175.6 | 0 | 108.3 | ||||
| 117 | D | 44.9 | Very low | 59.1 | Low | 141 Ų | 141 | 110.4 Ų | 110.4 | 75% | 0.754 | 58% | 0.576 | S | S | * | * | trans | -112.6 | 89.4 | 166.1 | -93.7 | -51.1 | 0 | 0 | 0 | 110.7 | S115 G119 | S115-D117 PolarHBondContact O-N 3Å; D117-G119 PolarHBondContact O-N 2.96Å; D117-G119 VanDerWaalsContact O-N 3.11Å | ||
| 118 | R | 47.5 | Very low | 60.7 | Low | 219 Ų | 219 | 109.6 Ų | 109.6 | 83% | 0.826 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -33.3 | 96.4 | 162.2 | -67.5 | 165.8 | 159.9 | 176.5 | -6.5 | 114 | ||
| 119 | G | 52.9 | Low | 62.5 | Low | 60 Ų | 60 | 108.8 Ų | 108.8 | 62% | 0.619 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 100.5 | 34.7 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | D117 N121 | D117-G119 PolarHBondContact O-N 2.96Å; D117-G119 VanDerWaalsContact O-N 3.11Å; G119-N121 PolarHBondContact O-N 3.12Å |
| 120 | S | 59.6 | Low | 64.5 | Low | 52 Ų | 52 | 108 Ų | 108 | 36% | 0.364 | 57% | 0.565 | S | S | . | * | trans | -66.8 | 117.5 | 167.6 | 112.9 | 0 | 0 | 0 | 0 | 109.8 | T122 A125 | S120-T122 PolarHBondContact O-N 3.06Å; S120-T122 WeakPolarHBondContact OG-CB 3.39Å; S120-T122 WeakPolarHBondContact OG-CG2 3.35Å; S120-T122 PolarHBondContact OG-OG1 2.76Å; S120-A125 WeakPolarHBondContact O-CB 3.39Å | ||
| 121 | N | 69.6 | Low | 66.8 | Low | 137 Ų | 137 | 106.3 Ų | 106.3 | 73% | 0.733 | 55% | 0.546 | S | S | * | . | trans | -78 | 40.3 | 171 | -71.6 | -40.7 | 0 | 0 | 0 | 111 | G119 | G119-N121 PolarHBondContact O-N 3.12Š| ||
| 122 | T | 82 | Confident | 68.9 | Low | 10 Ų | 10 | 105.1 Ų | 105.1 | 6% | 0.061 | 54% | 0.541 | C | S | . | . | trans | -75.7 | 155.8 | 176.8 | 55.1 | 0 | 0 | 0 | 0 | 110.5 | Q100 S101 S120 G124 A125 R126 | Q100-T122 WeakPolarHBondContact O-CG2 3.35Å; S101-T122 CarbonylContact O-C 3.5Å; S101-T122 WeakPolarHBondContact O-CA 3.49Å; S120-T122 PolarHBondContact O-N 3.06Å; S120-T122 WeakPolarHBondContact OG-CB 3.39Å; S120-T122 WeakPolarHBondContact OG-CG2 3.35Å; S120-T122 PolarHBondContact OG-OG1 2.76Å; T122-G124 VanDerWaalsContact C-N 3.27Å; T122-G124 PolarHBondContact O-N 3.5Å; T122-A125 PolarHBondContact O-N 3.38Å; T122-A125 WeakPolarHBondContact OG1-CB 3.24Å; T122-A125 PolarHBondContact OG1-N 2.75Å; T122-R126 WeakPolarHBondContact O-CG 3.44Å; T122-R126 PolarHBondContact O-N 2.91Å; T122-R126 VanDerWaalsContact O-N 3.1Å | ||
| 123 | I | 81.3 | Confident | 71.5 | Confident | 99 Ų | 99 | 107 Ų | 107 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.3 | -42.6 | 173.7 | -65 | 169.1 | 0 | 0 | 0 | 109.8 | S101 R126 L127 | S101-I123 WeakPolarHBondContact O-CG1 3.35Å; S101-I123 PolarHBondContact O-N 3.23Å; I123-R126 PolarHBondContact O-N 3.37Å; I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 PolarHBondContact O-N 2.83Å |
| 124 | G | 80.1 | Confident | 73.9 | Confident | 15 Ų | 15 | 103.5 Ų | 103.5 | 16% | 0.155 | 53% | 0.526 | C | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | T122 R126 L127 N128 | T122-G124 VanDerWaalsContact C-N 3.27Å; T122-G124 PolarHBondContact O-N 3.5Å; G124-R126 VanDerWaalsContact C-N 3.27Å; G124-R126 PolarHBondContact O-N 2.87Å; G124-L127 PolarHBondContact O-N 2.94Å; G124-N128 PolarHBondContact O-N 3.28Å |
| 125 | A | 80.4 | Confident | 76.3 | Confident | 26 Ų | 26 | 97.8 Ų | 97.8 | 22% | 0.215 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64.7 | -31 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113 | S120 T122 R129 | S120-A125 WeakPolarHBondContact O-CB 3.39Å; T122-A125 PolarHBondContact O-N 3.38Å; T122-A125 WeakPolarHBondContact OG1-CB 3.24Å; T122-A125 PolarHBondContact OG1-N 2.75Å; A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.37Å; A125-R129 PolarHBondContact O-NE 3.32Å |
| 126 | R | 85.9 | Confident | 78.8 | Confident | 152 Ų | 152 | 99.1 Ų | 99.1 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73 | -40.2 | 174.4 | -69.6 | 169.6 | 64.6 | -160.9 | -0.8 | 111.4 | T122 I123 G124 R129 V130 | T122-R126 WeakPolarHBondContact O-CG 3.44Å; T122-R126 PolarHBondContact O-N 2.91Å; T122-R126 VanDerWaalsContact O-N 3.1Å; I123-R126 PolarHBondContact O-N 3.37Å; G124-R126 VanDerWaalsContact C-N 3.27Å; G124-R126 PolarHBondContact O-N 2.87Å; R126-R129 PolarHBondContact O-N 3.46Å; R126-V130 WeakPolarHBondContact O-CG2 3.34Å; R126-V130 PolarHBondContact O-N 3.11Å; R126-V130 VanDerWaalsContact O-N 3.15Å |
| 127 | L | 84.7 | Confident | 81 | Confident | 89 Ų | 89 | 96.1 Ų | 96.1 | 47% | 0.466 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -47.8 | 177.9 | -175.3 | 64.2 | 0 | 0 | 0 | 111 | I123 G124 R129 V130 E131 | I123-L127 WeakPolarHBondContact O-CB 3.31Å; I123-L127 PolarHBondContact O-N 2.83Å; G124-L127 PolarHBondContact O-N 2.94Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 3.36Å; L127-V130 CarbonylContact O-C 3.54Å; L127-V130 WeakPolarHBondContact O-CA 3.48Å; L127-V130 WeakPolarHBondContact O-CB 3.43Å; L127-V130 PolarHBondContact O-N 2.89Å; L127-E131 PolarHBondContact O-N 3.45Å |
| 128 | N | 83.8 | Confident | 83.5 | Confident | 88 Ų | 88 | 94.2 Ų | 94.2 | 47% | 0.471 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.2 | -43.3 | 176 | -72.7 | -7.3 | 0 | 0 | 0 | 112 | G124 V130 E131 D132 | G124-N128 PolarHBondContact O-N 3.28Å; N128-V130 VanDerWaalsContact C-N 3.26Å; N128-V130 PolarHBondContact O-N 2.94Å; N128-E131 WeakPolarHBondContact O-CB 3.42Å; N128-E131 PolarHBondContact O-N 2.94Å; N128-D132 PolarHBondContact O-N 3.49Å |
| 129 | R | 89.2 | Confident | 85.8 | Confident | 119 Ų | 119 | 89.6 Ų | 89.6 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.7 | -31.4 | 175.4 | -67.9 | 175.6 | -143.3 | 154.6 | 4.3 | 113.1 | A125 R126 L127 K133 | A125-R129 WeakPolarHBondContact O-CG 3.5Å; A125-R129 PolarHBondContact O-N 3.37Å; A125-R129 PolarHBondContact O-NE 3.32Å; R126-R129 PolarHBondContact O-N 3.46Å; L127-R129 VanDerWaalsContact C-N 3.29Å; L127-R129 PolarHBondContact O-N 3.36Å; R129-K133 VanDerWaalsContact O-CG 3.29Å; R129-K133 WeakPolarHBondContact O-CG 3.41Å; R129-K133 PolarHBondContact O-N 3.3Å |
| 130 | V | 92 | Very high | 87.9 | Confident | 84 Ų | 84 | 94 Ų | 94 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -43.9 | 175.3 | 171.1 | 0 | 0 | 0 | 0 | 109.5 | R126 L127 N128 D132 K133 V134 | R126-V130 WeakPolarHBondContact O-CG2 3.34Å; R126-V130 PolarHBondContact O-N 3.11Å; R126-V130 VanDerWaalsContact O-N 3.15Å; L127-V130 CarbonylContact O-C 3.54Å; L127-V130 WeakPolarHBondContact O-CA 3.48Å; L127-V130 WeakPolarHBondContact O-CB 3.43Å; L127-V130 PolarHBondContact O-N 2.89Å; N128-V130 VanDerWaalsContact C-N 3.26Å; N128-V130 PolarHBondContact O-N 2.94Å; V130-D132 PolarHBondContact O-N 3.07Å; V130-K133 WeakPolarHBondContact O-CB 3.46Å; V130-K133 PolarHBondContact O-N 2.84Å; V130-K133 VanDerWaalsContact O-N 3.13Å; V130-V134 HydrophobicContact CG1-CG2 4.38Å; V130-V134 WeakPolarHBondContact O-CG2 3.42Å; V130-V134 PolarHBondContact O-N 3.07Å |
| 131 | E | 91.5 | Very high | 89.7 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 46% | 0.463 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -58.4 | -45.1 | 174.5 | -69.8 | 175.9 | -179 | 0 | 0 | 112 | L127 N128 K133 V134 T135 | L127-E131 PolarHBondContact O-N 3.45Å; N128-E131 WeakPolarHBondContact O-CB 3.42Å; N128-E131 PolarHBondContact O-N 2.94Å; E131-K133 VanDerWaalsContact C-N 3.27Å; E131-K133 PolarHBondContact O-N 2.93Å; E131-V134 PolarHBondContact O-N 3.49Å; E131-T135 WeakPolarHBondContact O-CG2 3.29Å; E131-T135 PolarHBondContact O-N 3.4Å; E131-T135 PolarHBondContact O-OG1 3.37Å |
| 132 | D | 93.3 | Very high | 91 | Very high | 105 Ų | 105 | 93.6 Ų | 93.6 | 56% | 0.561 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -59.1 | -38.6 | 174.9 | -67.9 | -26.4 | 0 | 0 | 0 | 112 | N128 V130 T135 Q136 | N128-D132 PolarHBondContact O-N 3.49Å; V130-D132 PolarHBondContact O-N 3.07Å; D132-T135 WeakPolarHBondContact CA-OG1 3.32Å; D132-T135 PolarHBondContact O-OG1 3.45Å; D132-Q136 WeakPolarHBondContact O-CB 3.39Å; D132-Q136 PolarHBondContact O-N 3.11Å |
| 133 | K | 95.6 | Very high | 91.7 | Very high | 140 Ų | 140 | 97.1 Ų | 97.1 | 61% | 0.609 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -71 | -40.2 | 176.4 | -75.4 | 177.7 | 179.3 | -170.6 | 0 | 112 | R129 V130 E131 Q136 L137 | R129-K133 VanDerWaalsContact O-CG 3.29Å; R129-K133 WeakPolarHBondContact O-CG 3.41Å; R129-K133 PolarHBondContact O-N 3.3Å; V130-K133 WeakPolarHBondContact O-CB 3.46Å; V130-K133 PolarHBondContact O-N 2.84Å; V130-K133 VanDerWaalsContact O-N 3.13Å; E131-K133 VanDerWaalsContact C-N 3.27Å; E131-K133 PolarHBondContact O-N 2.93Å; K133-Q136 PolarHBondContact O-N 2.79Å; K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.44Å; K133-L137 PolarHBondContact O-N 2.87Å |
| 134 | V | 96.6 | Very high | 92.4 | Very high | 89 Ų | 89 | 96.4 Ų | 96.4 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.3 | -45.3 | 177.9 | 170 | 0 | 0 | 0 | 0 | 110.5 | V130 E131 Q136 L137 D138 | V130-V134 HydrophobicContact CG1-CG2 4.38Å; V130-V134 WeakPolarHBondContact O-CG2 3.42Å; V130-V134 PolarHBondContact O-N 3.07Å; E131-V134 PolarHBondContact O-N 3.49Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 3.3Å; V134-L137 PolarHBondContact O-N 3.29Å; V134-D138 PolarHBondContact O-N 2.87Å |
| 135 | T | 95.6 | Very high | 93.1 | Very high | 75 Ų | 75 | 99 Ų | 99 | 46% | 0.46 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -37.3 | 176 | 50 | 0 | 0 | 0 | 0 | 112.4 | E131 D132 D138 Q139 | E131-T135 WeakPolarHBondContact O-CG2 3.29Å; E131-T135 PolarHBondContact O-N 3.4Å; E131-T135 PolarHBondContact O-OG1 3.37Å; D132-T135 WeakPolarHBondContact CA-OG1 3.32Å; D132-T135 PolarHBondContact O-OG1 3.45Å; T135-D138 PolarHBondContact O-N 2.9Å; T135-Q139 WeakPolarHBondContact O-CG 3.19Å; T135-Q139 PolarHBondContact O-N 3.16Å; T135-Q139 VanDerWaalsContact O-N 3.13Å |
| 136 | Q | 97.2 | Very high | 93.9 | Very high | 109 Ų | 109 | 102.6 Ų | 102.6 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -42.8 | 172.6 | -178.3 | 175.8 | 63.2 | 0 | 0 | 112.3 | D132 K133 V134 D138 Q139 R140 | D132-Q136 WeakPolarHBondContact O-CB 3.39Å; D132-Q136 PolarHBondContact O-N 3.11Å; K133-Q136 PolarHBondContact O-N 2.79Å; V134-Q136 VanDerWaalsContact C-N 3.33Å; V134-Q136 PolarHBondContact O-N 3.3Å; Q136-D138 VanDerWaalsContact C-N 3.31Å; Q136-D138 PolarHBondContact O-N 3.43Å; Q136-Q139 PolarHBondContact O-N 2.71Å; Q136-R140 VanDerWaalsContact O-CG 3.24Å; Q136-R140 WeakPolarHBondContact O-CG 3.45Å; Q136-R140 PolarHBondContact O-N 3.28Å |
| 137 | L | 97.6 | Very high | 94.3 | Very high | 111 Ų | 111 | 100.6 Ų | 100.6 | 58% | 0.581 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.6 | -42.2 | 176.7 | -73.2 | 174.1 | 0 | 0 | 0 | 111.2 | K133 V134 Q139 R140 L141 | K133-L137 VanDerWaalsContact O-CG 3.31Å; K133-L137 WeakPolarHBondContact O-CG 3.44Å; K133-L137 PolarHBondContact O-N 2.87Å; V134-L137 PolarHBondContact O-N 3.29Å; L137-Q139 PolarHBondContact O-N 3.13Å; L137-R140 PolarHBondContact O-N 3.08Å; L137-L141 WeakPolarHBondContact O-CG 3.3Å; L137-L141 PolarHBondContact O-N 3.47Å |
| 138 | D | 96.7 | Very high | 94.7 | Very high | 100 Ų | 100 | 100.8 Ų | 100.8 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.7 | -49.7 | 176.4 | -172.8 | 62.7 | 0 | 0 | 0 | 111.8 | V134 T135 Q136 R140 L141 V142 | V134-D138 PolarHBondContact O-N 2.87Å; T135-D138 PolarHBondContact O-N 2.9Å; Q136-D138 VanDerWaalsContact C-N 3.31Å; Q136-D138 PolarHBondContact O-N 3.43Å; D138-R140 VanDerWaalsContact C-N 3.29Å; D138-R140 PolarHBondContact O-N 2.84Å; D138-L141 WeakPolarHBondContact O-CB 3.36Å; D138-L141 PolarHBondContact O-N 3.14Å; D138-L141 VanDerWaalsContact O-N 3.12Å; D138-V142 WeakPolarHBondContact O-CG2 3.46Å; D138-V142 PolarHBondContact O-N 2.95Å |
| 139 | Q | 97.1 | Very high | 95.1 | Very high | 123 Ų | 123 | 102.2 Ų | 102.2 | 58% | 0.575 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 175.7 | -69 | 172.4 | 20.1 | 0 | 0 | 112.7 | T135 Q136 L137 V142 I143 | T135-Q139 WeakPolarHBondContact O-CG 3.19Å; T135-Q139 PolarHBondContact O-N 3.16Å; T135-Q139 VanDerWaalsContact O-N 3.13Å; Q136-Q139 PolarHBondContact O-N 2.71Å; L137-Q139 PolarHBondContact O-N 3.13Å; Q139-V142 PolarHBondContact O-N 3.42Å; Q139-I143 VanDerWaalsContact O-CG1 3.3Å; Q139-I143 WeakPolarHBondContact O-CG1 3.49Å; Q139-I143 PolarHBondContact O-N 2.92Å; Q139-I143 VanDerWaalsContact O-N 3.09Å |
| 140 | R | 96.4 | Very high | 95.2 | Very high | 153 Ų | 153 | 102.8 Ų | 102.8 | 58% | 0.577 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.9 | -38.8 | 177.6 | -67.2 | -69.6 | -179 | 171.7 | 0.3 | 111.6 | Q136 L137 D138 I143 I144 | Q136-R140 VanDerWaalsContact O-CG 3.24Å; Q136-R140 WeakPolarHBondContact O-CG 3.45Å; Q136-R140 PolarHBondContact O-N 3.28Å; L137-R140 PolarHBondContact O-N 3.08Å; D138-R140 VanDerWaalsContact C-N 3.29Å; D138-R140 PolarHBondContact O-N 2.84Å; R140-I143 PolarHBondContact O-N 2.95Å; R140-I144 WeakPolarHBondContact O-CD1 3.38Å; R140-I144 VanDerWaalsContact O-CG1 3.25Å; R140-I144 WeakPolarHBondContact O-CG1 3.36Å; R140-I144 PolarHBondContact O-N 2.94Å |
| 141 | L | 97.1 | Very high | 95.1 | Very high | 106 Ų | 106 | 104.2 Ų | 104.2 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 174.9 | -71.4 | 177.4 | 0 | 0 | 0 | 111.2 | L137 D138 I143 I144 T145 | L137-L141 WeakPolarHBondContact O-CG 3.3Å; L137-L141 PolarHBondContact O-N 3.47Å; D138-L141 WeakPolarHBondContact O-CB 3.36Å; D138-L141 PolarHBondContact O-N 3.14Å; D138-L141 VanDerWaalsContact O-N 3.12Å; L141-I143 VanDerWaalsContact C-N 3.35Å; L141-I143 PolarHBondContact O-N 3.34Å; L141-I144 PolarHBondContact O-N 3.42Å; L141-T145 PolarHBondContact O-N 3.35Å; L141-T145 PolarHBondContact O-OG1 2.87Å; L141-T145 VanDerWaalsContact O-OG1 3.13Å |
| 142 | V | 96.3 | Very high | 94.9 | Very high | 74 Ų | 74 | 104.5 Ų | 104.5 | 45% | 0.448 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 174.7 | 174 | 0 | 0 | 0 | 0 | 111.1 | D138 Q139 I144 T145 D146 | D138-V142 WeakPolarHBondContact O-CG2 3.46Å; D138-V142 PolarHBondContact O-N 2.95Å; Q139-V142 PolarHBondContact O-N 3.42Å; V142-I144 VanDerWaalsContact C-N 3.32Å; V142-I144 PolarHBondContact O-N 3.21Å; V142-T145 PolarHBondContact O-N 3.44Å; V142-D146 PolarHBondContact O-N 3.14Å |
| 143 | I | 96.9 | Very high | 94.4 | Very high | 83 Ų | 83 | 102.7 Ų | 102.7 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60 | -43.1 | 177.3 | -66.4 | 163.2 | 0 | 0 | 0 | 111.2 | Q139 R140 L141 D146 M147 | Q139-I143 VanDerWaalsContact O-CG1 3.3Å; Q139-I143 WeakPolarHBondContact O-CG1 3.49Å; Q139-I143 PolarHBondContact O-N 2.92Å; Q139-I143 VanDerWaalsContact O-N 3.09Å; R140-I143 PolarHBondContact O-N 2.95Å; L141-I143 VanDerWaalsContact C-N 3.35Å; L141-I143 PolarHBondContact O-N 3.34Å; I143-D146 PolarHBondContact O-N 3.05Å; I143-M147 HydrophobicContact CG2-CG 4.44Å; I143-M147 HydrophobicContact CG2-SD 4.12Å; I143-M147 WeakPolarHBondContact O-CB 3.4Å; I143-M147 VanDerWaalsContact O-CG 3.31Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 3.39Å |
| 144 | I | 96.9 | Very high | 93.4 | Very high | 85 Ų | 85 | 102.9 Ų | 102.9 | 44% | 0.436 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.3 | -45 | 178 | -70.4 | 163.8 | 0 | 0 | 0 | 110.3 | R140 L141 V142 D146 M147 L148 | R140-I144 WeakPolarHBondContact O-CD1 3.38Å; R140-I144 VanDerWaalsContact O-CG1 3.25Å; R140-I144 WeakPolarHBondContact O-CG1 3.36Å; R140-I144 PolarHBondContact O-N 2.94Å; L141-I144 PolarHBondContact O-N 3.42Å; V142-I144 VanDerWaalsContact C-N 3.32Å; V142-I144 PolarHBondContact O-N 3.21Å; I144-D146 VanDerWaalsContact C-N 3.35Å; I144-D146 PolarHBondContact O-N 3.03Å; I144-M147 PolarHBondContact O-N 3.4Å; I144-L148 HydrophobicContact CG2-CD1 3.86Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.26Å; I144-L148 PolarHBondContact O-N 2.88Å |
| 145 | T | 95.5 | Very high | 91.9 | Very high | 70 Ų | 70 | 106.5 Ų | 106.5 | 43% | 0.429 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 177.2 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | L141 V142 L148 H149 | L141-T145 PolarHBondContact O-N 3.35Å; L141-T145 PolarHBondContact O-OG1 2.87Å; L141-T145 VanDerWaalsContact O-OG1 3.13Å; V142-T145 PolarHBondContact O-N 3.44Å; T145-L148 PolarHBondContact O-N 3.01Å; T145-H149 PolarHBondContact O-N 2.74Å; T145-H149 PolarHBondContact O-ND1 3.38Å |
| 146 | D | 95.5 | Very high | 90.1 | Very high | 100 Ų | 100 | 110.9 Ų | 110.9 | 54% | 0.535 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -43.8 | 177.5 | -75.8 | -9.9 | 0 | 0 | 0 | 112 | V142 I143 I144 L148 H149 Q150 | V142-D146 PolarHBondContact O-N 3.14Å; I143-D146 PolarHBondContact O-N 3.05Å; I144-D146 VanDerWaalsContact C-N 3.35Å; I144-D146 PolarHBondContact O-N 3.03Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-L148 PolarHBondContact O-N 3.39Å; D146-H149 PolarHBondContact O-N 2.87Å; D146-Q150 PolarHBondContact O-N 2.89Å |
| 147 | M | 94.6 | Very high | 87.7 | Confident | 111 Ų | 111 | 108.9 Ų | 108.9 | 55% | 0.547 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -60.7 | -41.9 | 175 | -73.5 | -179.6 | 61.4 | 0 | 0 | 111.9 | I143 I144 Q150 L151 | I143-M147 HydrophobicContact CG2-CG 4.44Å; I143-M147 HydrophobicContact CG2-SD 4.12Å; I143-M147 WeakPolarHBondContact O-CB 3.4Å; I143-M147 VanDerWaalsContact O-CG 3.31Å; I143-M147 WeakPolarHBondContact O-CG 3.19Å; I143-M147 PolarHBondContact O-N 3.39Å; I144-M147 PolarHBondContact O-N 3.4Å; M147-Q150 PolarHBondContact O-N 2.87Å; M147-L151 WeakPolarHBondContact O-CG 3.33Å; M147-L151 PolarHBondContact O-N 3.43Å |
| 148 | L | 93.3 | Very high | 84.9 | Confident | 93 Ų | 93 | 106 Ų | 106 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.5 | -41.6 | 177.5 | -71.6 | 172.1 | 0 | 0 | 0 | 111.8 | I144 T145 D146 Q150 L151 L152 | I144-L148 HydrophobicContact CG2-CD1 3.86Å; I144-L148 HydrophobicContact CG2-CG 4.33Å; I144-L148 WeakPolarHBondContact O-CB 3.35Å; I144-L148 VanDerWaalsContact O-CG 3.25Å; I144-L148 WeakPolarHBondContact O-CG 3.26Å; I144-L148 PolarHBondContact O-N 2.88Å; T145-L148 PolarHBondContact O-N 3.01Å; D146-L148 VanDerWaalsContact C-N 3.32Å; D146-L148 PolarHBondContact O-N 3.39Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.49Å; L148-L151 PolarHBondContact O-N 3.19Å; L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.41Å; L148-L152 PolarHBondContact O-N 3.36Å |
| 149 | H | 93 | Very high | 82.4 | Confident | 117 Ų | 117 | 107.5 Ų | 107.5 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -61.8 | -38.4 | 172.7 | -76.4 | 141.9 | 0 | 0 | 0 | 112.4 | T145 D146 L152 S153 | T145-H149 PolarHBondContact O-N 2.74Å; T145-H149 PolarHBondContact O-ND1 3.38Å; D146-H149 PolarHBondContact O-N 2.87Å; H149-L152 PolarHBondContact O-N 3.14Å; H149-S153 WeakPolarHBondContact O-CB 3.42Å; H149-S153 PolarHBondContact O-N 3.03Å; H149-S153 PolarHBondContact O-OG 3.47Å; H149-S153 VanDerWaalsContact O-OG 3.06Å |
| 150 | Q | 91 | Very high | 79.6 | Confident | 131 Ų | 131 | 108.4 Ų | 108.4 | 61% | 0.612 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.6 | -41 | 176.1 | -167.9 | 176 | 1.2 | 0 | 0 | 111.8 | D146 M147 L148 S153 M154 | D146-Q150 PolarHBondContact O-N 2.89Å; M147-Q150 PolarHBondContact O-N 2.87Å; L148-Q150 VanDerWaalsContact C-N 3.31Å; L148-Q150 PolarHBondContact O-N 3.49Å; Q150-S153 WeakPolarHBondContact CA-OG 3.18Å; Q150-S153 PolarHBondContact O-OG 3.1Å; Q150-M154 WeakPolarHBondContact O-CB 3.45Å; Q150-M154 WeakPolarHBondContact O-CG 3.41Å; Q150-M154 PolarHBondContact O-N 3.31Å |
| 151 | L | 89.7 | Confident | 76.6 | Confident | 114 Ų | 114 | 107 Ų | 107 | 60% | 0.597 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -66.9 | -41.8 | 175 | -69.4 | 175.6 | 0 | 0 | 0 | 112.4 | M147 L148 S153 M154 Q155 | M147-L151 WeakPolarHBondContact O-CG 3.33Å; M147-L151 PolarHBondContact O-N 3.43Å; L148-L151 PolarHBondContact O-N 3.19Å; L151-S153 PolarHBondContact O-N 3.22Å; L151-M154 PolarHBondContact O-N 2.76Å; L151-Q155 PolarHBondContact O-N 3.14Å |
| 152 | L | 86.4 | Confident | 74.1 | Confident | 106 Ų | 106 | 109.5 Ų | 109.5 | 56% | 0.555 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -64.9 | -37.6 | 176.9 | -74.9 | 167.1 | 0 | 0 | 0 | 112.6 | L148 H149 Q155 Q156 | L148-L152 WeakPolarHBondContact O-CB 3.49Å; L148-L152 WeakPolarHBondContact O-CG 3.41Å; L148-L152 PolarHBondContact O-N 3.36Å; H149-L152 PolarHBondContact O-N 3.14Å; L152-Q155 PolarHBondContact O-N 3.43Å; L152-Q156 PolarHBondContact O-N 3.37Å |
| 153 | S | 82.6 | Confident | 71.3 | Confident | 67 Ų | 67 | 111.6 Ų | 111.6 | 47% | 0.469 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -70.4 | -35.6 | 175.7 | 60.6 | 0 | 0 | 0 | 0 | 112.4 | H149 Q150 L151 Q156 | H149-S153 WeakPolarHBondContact O-CB 3.42Å; H149-S153 PolarHBondContact O-N 3.03Å; H149-S153 PolarHBondContact O-OG 3.47Å; H149-S153 VanDerWaalsContact O-OG 3.06Å; Q150-S153 WeakPolarHBondContact CA-OG 3.18Å; Q150-S153 PolarHBondContact O-OG 3.1Å; L151-S153 PolarHBondContact O-N 3.22Å; S153-Q156 PolarHBondContact O-N 3.04Å |
| 154 | M | 75.4 | Confident | 68.2 | Low | 144 Ų | 144 | 118.9 Ų | 118.9 | 71% | 0.709 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -66.8 | -33.8 | 172.1 | -69.2 | -80.5 | 93.4 | 0 | 0 | 112.9 | Q150 L151 G157 | Q150-M154 WeakPolarHBondContact O-CB 3.45Å; Q150-M154 WeakPolarHBondContact O-CG 3.41Å; Q150-M154 PolarHBondContact O-N 3.31Å; L151-M154 PolarHBondContact O-N 2.76Å; M154-G157 PolarHBondContact O-N 2.93Å |
| 155 | Q | 64.6 | Low | 65.4 | Low | 165 Ų | 165 | 120 Ų | 120 | 77% | 0.771 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -73.4 | -25.6 | 178.3 | -164.7 | 69.3 | 73.3 | 0 | 0 | 113.3 | L151 L152 | L151-Q155 PolarHBondContact O-N 3.14Å; L152-Q155 PolarHBondContact O-N 3.43Å |
| 156 | Q | 57.8 | Low | 62.5 | Low | 167 Ų | 167 | 125.5 Ų | 125.5 | 78% | 0.78 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -5.1 | 176.5 | -81.6 | -179.6 | 69.6 | 0 | 0 | 114.1 | L152 S153 G158 | L152-Q156 PolarHBondContact O-N 3.37Å; S153-Q156 PolarHBondContact O-N 3.04Å; Q156-G158 PolarHBondContact O-N 3.07Å |
| 157 | G | 47.9 | Very low | 59.8 | Low | 67 Ų | 67 | 126.8 Ų | 126.8 | 69% | 0.691 | 71% | 0.705 | S | S | * | * | trans | -88.2 | 38.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | M154 | M154-G157 PolarHBondContact O-N 2.93Š| ||
| 158 | G | 37.6 | Very low | 57 | Low | 51 Ų | 51 | 128.7 Ų | 128.7 | 53% | 0.526 | 72% | 0.722 | S | S | . | * | trans | -86.8 | 139.8 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q156 T160 | Q156-G158 PolarHBondContact O-N 3.07Å; G158-T160 PolarHBondContact O-N 3.31Å | ||
| 159 | P | 44.8 | Very low | 54.3 | Low | 131 Ų | 131 | 128.1 Ų | 128.1 | 85% | 0.851 | 73% | 0.731 | S | S | * | * | trans | -74 | 116.6 | -170.4 | 29.8 | -32.5 | 0 | 0 | 0 | 111.5 | C161 | P159-C161 PolarHBondContact O-N 3.19Š| ||
| 160 | T | 37.9 | Very low | 51.5 | Low | 142 Ų | 142 | 127.8 Ų | 127.8 | 87% | 0.871 | 74% | 0.742 | S | S | * | * | trans | -87.4 | 101.3 | 165.8 | 53.5 | 0 | 0 | 0 | 0 | 108.9 | G158 | G158-T160 PolarHBondContact O-N 3.31Š| ||
| 161 | C | 34.9 | Very low | 48.7 | Very low | 122 Ų | 122 | 128.4 Ų | 128.4 | 82% | 0.824 | 75% | 0.749 | S | S | * | * | trans | -80.6 | 128.5 | 165.9 | 53.8 | 0 | 0 | 0 | 0 | 109.7 | P159 | P159-C161 PolarHBondContact O-N 3.19Š| ||
| 162 | N | 43.3 | Very low | 45.9 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 86% | 0.856 | 76% | 0.759 | S | S | * | * | trans | -54.7 | 131.3 | 171.1 | -88.6 | -7.2 | 0 | 0 | 0 | 111.7 | ||||
| 163 | S | 36.7 | Very low | 43.4 | Very low | 117 Ų | 117 | 130.1 Ų | 130.1 | 82% | 0.818 | 77% | 0.774 | S | S | * | * | trans | -176.2 | 123.7 | 130.3 | -84.2 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 164 | R | 33.2 | Very low | 40.9 | Very low | 236 Ų | 236 | 130.6 Ų | 130.6 | 89% | 0.891 | 79% | 0.79 | S | S | * | * | trans | 85.7 | 100.5 | 135.7 | -151.6 | 161.2 | -175.1 | 146 | -2 | 119.6 | ||||
| 165 | S | 38.2 | Very low | 39.4 | Very low | 110 Ų | 110 | 129.2 Ų | 129.2 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | trans | 15 | 121.8 | 132.1 | -40.3 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 166 | Q | 34.6 | Very low | 38.1 | Very low | 184 Ų | 184 | 129 Ų | 129 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | -171 | 132 | 111.8 | -110.9 | -177.3 | -5.7 | 0 | 0 | 113.1 | |||||
| 167 | V | 38.7 | Very low | 37 | Very low | 128 Ų | 128 | 126.8 Ų | 126.8 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -23 | 134.7 | 158.5 | -70.8 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 168 | V | 34.8 | Very low | 36.6 | Very low | 150 Ų | 150 | 130 Ų | 130 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | -155.4 | 132.8 | 123 | -176.2 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 169 | A | 37.8 | Very low | 36.5 | Very low | 82 Ų | 82 | 135.2 Ų | 135.2 | 68% | 0.678 | 81% | 0.81 | S | S | * | * | trans | -92.5 | 160.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 170 | S | 33.6 | Very low | 36.5 | Very low | 110 Ų | 110 | 136.8 Ų | 136.8 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | 125.8 | 125.6 | 133.9 | -46.9 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 171 | N | 31.9 | Very low | 36.8 | Very low | 144 Ų | 144 | 139.3 Ų | 139.3 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 69.7 | 137.4 | 138.9 | -104.8 | 33.5 | 0 | 0 | 0 | 119.4 | ||||
| 172 | E | 31.5 | Very low | 37.4 | Very low | 170 Ų | 170 | 140 Ų | 140 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | cis | -152.1 | 145.3 | 7 | -70.4 | 173.8 | 115.9 | 0 | 0 | 106.8 | ||||
| 173 | G | 34.7 | Very low | 37.3 | Very low | 85 Ų | 85 | 137.8 Ų | 137.8 | 88% | 0.876 | 80% | 0.798 | S | S | * | * | 71.8 | 101.6 | 88.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 174 | G | 29.3 | Very low | 37.5 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 164.2 | 107.4 | 165.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 175 | S | 44.5 | Very low | 38.1 | Very low | 115 Ų | 115 | 134.8 Ų | 134.8 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -65.1 | 136.3 | 177.6 | 178.8 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 176 | I | 36.4 | Very low | 38.9 | Very low | 161 Ų | 161 | 134.4 Ų | 134.4 | 83% | 0.826 | 80% | 0.798 | S | S | * | * | trans | -145.9 | 96.4 | 156.9 | -20.5 | 171.8 | 0 | 0 | 0 | 111.9 | ||||
| 177 | N | 35.2 | Very low | 39.5 | Very low | 120 Ų | 120 | 133.2 Ų | 133.2 | 64% | 0.642 | 80% | 0.796 | S | S | * | * | trans | 26.4 | 121.7 | 154.1 | -62.3 | -60.2 | 0 | 0 | 0 | 122.7 | E179 | N177-E179 PolarHBondContact O-N 2.95Š| ||
| 178 | P | 38.2 | Very low | 40.3 | Very low | 134 Ų | 134 | 131.4 Ų | 131.4 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -91.6 | 51.2 | 166.6 | 38.6 | -32.9 | 0 | 0 | 0 | 112.6 | ||||
| 179 | E | 37.3 | Very low | 41.4 | Very low | 162 Ų | 162 | 129 Ų | 129 | 76% | 0.757 | 77% | 0.773 | S | S | * | * | trans | -108.2 | 18.7 | -177.2 | -97.9 | -109.4 | 127 | 0 | 0 | 114 | N177 | N177-E179 PolarHBondContact O-N 2.95Š| ||
| 180 | L | 44.2 | Very low | 42.1 | Very low | 163 Ų | 163 | 133.9 Ų | 133.9 | 85% | 0.853 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -104.5 | -2.1 | 177.1 | -83.9 | 169.9 | 0 | 0 | 0 | 115.2 | ||
| 181 | F | 43.3 | Very low | 43.2 | Very low | 195 Ų | 195 | 135.7 Ų | 135.7 | 86% | 0.855 | 77% | 0.771 | S | S | * | * | trans | -121 | 78.8 | 177.5 | -69.4 | -79.1 | 0 | 0 | 0 | 110.1 | ||||
| 182 | L | 48.2 | Very low | 44.5 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 72% | 0.717 | 77% | 0.767 | S | S | * | * | trans | -66.7 | 134.9 | 164.2 | -76.5 | 167.2 | 0 | 0 | 0 | 109.4 | S184 | L182-S184 PolarHBondContact O-N 2.78Å; L182-S184 VanDerWaalsContact O-N 3.17Å | ||
| 183 | P | 41.7 | Very low | 45.3 | Very low | 113 Ų | 113 | 134.4 Ų | 134.4 | 73% | 0.734 | 76% | 0.764 | S | S | * | * | trans | -69.4 | 113.4 | 175.3 | 27.5 | -28.7 | 0 | 0 | 0 | 108.5 | N185 | P183-N185 PolarHBondContact O-N 2.89Š| ||
| 184 | S | 41.3 | Very low | 46.3 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -70.9 | 88.5 | -172.8 | -45 | 0 | 0 | 0 | 0 | 111.5 | L182 | L182-S184 PolarHBondContact O-N 2.78Å; L182-S184 VanDerWaalsContact O-N 3.17Å |
| 185 | N | 45.6 | Very low | 47.7 | Very low | 173 Ų | 173 | 136.3 Ų | 136.3 | 93% | 0.925 | 74% | 0.744 | S | S | * | * | trans | -146.2 | 18.8 | 160.8 | -94.5 | -38.8 | 0 | 0 | 0 | 113.6 | P183 | P183-N185 PolarHBondContact O-N 2.89Š| ||
| 186 | S | 53.5 | Low | 48 | Very low | 103 Ų | 103 | 136.8 Ų | 136.8 | 72% | 0.72 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -112.8 | 131.2 | 168.4 | 54.5 | 0 | 0 | 0 | 0 | 111 | ||
| 187 | L | 48.5 | Very low | 48.6 | Very low | 159 Ų | 159 | 137.8 Ų | 137.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -61.2 | 149.9 | 172.6 | -74 | 164.9 | 0 | 0 | 0 | 110.3 | ||
| 188 | P | 54.5 | Low | 49.4 | Very low | 90 Ų | 90 | 138.7 Ų | 138.7 | 58% | 0.584 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -60 | 138.9 | 178.5 | -17.1 | 29.3 | 0 | 0 | 0 | 111.3 | ||
| 189 | T | 58 | Low | 50 | Low | 100 Ų | 100 | 135 Ų | 135 | 61% | 0.613 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 144.7 | 177.9 | -60.2 | 0 | 0 | 0 | 0 | 110.3 | E191 Q192 | T189-E191 PolarHBondContact O-N 3.33Å; T189-Q192 WeakPolarHBondContact O-CB 3.39Å; T189-Q192 PolarHBondContact O-N 3.35Å |
| 190 | Y | 51.8 | Low | 50.6 | Low | 183 Ų | 183 | 133.1 Ų | 133.1 | 72% | 0.718 | 74% | 0.743 | S | S | * | * | G | 310 helix | trans | -42.9 | -34.8 | -173.2 | -176.8 | -101.8 | 0 | 0 | 0 | 115.8 | Q192 L193 | Y190-Q192 PolarHBondContact O-N 2.97Å; Y190-L193 PolarHBondContact O-N 3.46Å |
| 191 | E | 56.8 | Low | 50.7 | Low | 149 Ų | 149 | 133.5 Ų | 133.5 | 70% | 0.696 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -63.9 | -22.4 | 180 | -64.9 | -67.7 | 103.3 | 0 | 0 | 114 | T189 L193 | T189-E191 PolarHBondContact O-N 3.33Å; E191-L193 VanDerWaalsContact C-N 3.3Å; E191-L193 PolarHBondContact O-N 2.87Å |
| 192 | Q | 59.4 | Low | 51 | Low | 144 Ų | 144 | 133 Ų | 133 | 67% | 0.673 | 75% | 0.746 | S | S | * | * | G | 310 helix | trans | -82.9 | -6.2 | -177.1 | -62.6 | 177.1 | -64.3 | 0 | 0 | 113.7 | T189 Y190 | T189-Q192 WeakPolarHBondContact O-CB 3.39Å; T189-Q192 PolarHBondContact O-N 3.35Å; Y190-Q192 PolarHBondContact O-N 2.97Å |
| 193 | L | 49.6 | Very low | 51.1 | Low | 142 Ų | 142 | 130.2 Ų | 130.2 | 74% | 0.743 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -106.7 | -0.1 | -177.4 | -65.7 | 173 | 0 | 0 | 0 | 113.5 | Y190 E191 | Y190-L193 PolarHBondContact O-N 3.46Å; E191-L193 VanDerWaalsContact C-N 3.3Å; E191-L193 PolarHBondContact O-N 2.87Å |
| 194 | T | 54.6 | Low | 51.2 | Low | 84 Ų | 84 | 134 Ų | 134 | 52% | 0.515 | 78% | 0.78 | S | S | . | * | P | Polyproline II helix | trans | -91.6 | 123.9 | 178.5 | -71.1 | 0 | 0 | 0 | 0 | 110.5 | ||
| 195 | V | 58.6 | Low | 51.7 | Low | 119 Ų | 119 | 134.9 Ų | 134.9 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 139.9 | 168.7 | -91.1 | 0 | 0 | 0 | 0 | 110.5 | Q197 | V195-Q197 PolarHBondContact O-N 3.1Å; V195-Q197 VanDerWaalsContact O-N 3.09Å |
| 196 | P | 51.7 | Low | 52 | Low | 124 Ų | 124 | 132.8 Ų | 132.8 | 81% | 0.805 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -57.3 | 119.4 | 177.3 | -19.7 | 30.2 | 0 | 0 | 0 | 109.9 | T198 | P196-T198 PolarHBondContact O-N 3.45Š|
| 197 | Q | 48.7 | Very low | 51.9 | Low | 182 Ų | 182 | 134.5 Ų | 134.5 | 85% | 0.85 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 118.4 | 165.7 | -72.8 | -156.6 | 18.6 | 0 | 0 | 108 | V195 G199 | V195-Q197 PolarHBondContact O-N 3.1Å; V195-Q197 VanDerWaalsContact O-N 3.09Å; Q197-G199 PolarHBondContact O-N 2.99Å |
| 198 | T | 51.8 | Low | 52.1 | Low | 140 Ų | 140 | 133.1 Ų | 133.1 | 86% | 0.859 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -56.9 | 116.9 | 159.9 | -33.1 | 0 | 0 | 0 | 0 | 107.1 | P196 | P196-T198 PolarHBondContact O-N 3.45Š|
| 199 | G | 49.9 | Very low | 51.9 | Low | 55 Ų | 55 | 135.8 Ų | 135.8 | 57% | 0.567 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -62.9 | 166.3 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q197 D201 | Q197-G199 PolarHBondContact O-N 2.99Å; G199-D201 PolarHBondContact O-N 3.19Å |
| 200 | P | 50.6 | Low | 51.5 | Low | 123 Ų | 123 | 138.1 Ų | 138.1 | 80% | 0.799 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 126.7 | -177.2 | 30.6 | -31.7 | 0 | 0 | 0 | 110.4 | E202 | P200-E202 PolarHBondContact O-N 3.32Š|
| 201 | D | 47.3 | Very low | 51.5 | Low | 171 Ų | 171 | 134.9 Ų | 134.9 | 91% | 0.914 | 80% | 0.798 | S | S | * | * | trans | -67.3 | 110.5 | 158.7 | -99 | -26.9 | 0 | 0 | 0 | 107.4 | G199 | G199-D201 PolarHBondContact O-N 3.19Š| ||
| 202 | E | 48.3 | Very low | 51.1 | Low | 184 Ų | 184 | 133.8 Ų | 133.8 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -63.3 | 133.9 | 165 | -78.3 | -150.2 | 112.3 | 0 | 0 | 109.6 | P200 | P200-E202 PolarHBondContact O-N 3.32Š| ||
| 203 | G | 51.1 | Low | 50.4 | Low | 80 Ų | 80 | 133 Ų | 133 | 83% | 0.825 | 82% | 0.817 | S | S | * | * | trans | -69.2 | 134.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 204 | S | 42.9 | Very low | 50.5 | Low | 192 Ų | 192 | 132.2 Ų | 132.2 | 100% | 1.343 | 82% | 0.823 | S | S | * | * | trans | -151.9 | 0 | 137.6 | -167.5 | 0 | 0 | 0 | 0 | 110.6 |
Retrieved 204 of 204 residues in 249.7 ms
(Link to these results)