| 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 | 41.3 | Very low | 46.1 | Very low | 249 Ų | 249 | 153.6 Ų | 153.6 | 100% | 1.227 | 79% | 0.793 | S | S | * | * | 0 | 111.8 | 0 | -77.8 | 168.6 | 177.6 | 0 | 0 | 106.2 | |||||
| 2 | G | 44.9 | Very low | 46.7 | Very low | 72 Ų | 72 | 153.5 Ų | 153.5 | 74% | 0.742 | 80% | 0.795 | S | S | * | * | trans | -79.7 | 137.3 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L4 | G2-L4 PolarHBondContact O-N 3.42Š| ||
| 3 | D | 43.3 | Very low | 47.2 | Very low | 140 Ų | 140 | 149.9 Ų | 149.9 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 105.2 | -179 | -125.1 | -18.8 | 0 | 0 | 0 | 109.9 | F5 | D3-F5 PolarHBondContact O-N 3.18Š| ||
| 4 | L | 51.6 | Low | 47.4 | Very low | 157 Ų | 157 | 147.1 Ų | 147.1 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 8.2 | -179.3 | -97.2 | 150.4 | 0 | 0 | 0 | 113.8 | G2 | G2-L4 PolarHBondContact O-N 3.42Š|
| 5 | F | 46.1 | Very low | 47.8 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 79% | 0.789 | 79% | 0.785 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.1 | -1.2 | -173.8 | -83.3 | -79.5 | 0 | 0 | 0 | 115.8 | D3 | D3-F5 PolarHBondContact O-N 3.18Š|
| 6 | S | 48 | Very low | 48 | Very low | 81 Ų | 81 | 146.1 Ų | 146.1 | 57% | 0.566 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 4 | -175 | -67.1 | 0 | 0 | 0 | 0 | 115.7 | ||
| 7 | L | 45.5 | Very low | 47.6 | Very low | 159 Ų | 159 | 143.9 Ų | 143.9 | 83% | 0.832 | 78% | 0.78 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.3 | -2.1 | -176.1 | -81.1 | 164.9 | 0 | 0 | 0 | 115.1 | ||
| 8 | F | 45.4 | Very low | 47.7 | Very low | 196 Ų | 196 | 145.3 Ų | 145.3 | 86% | 0.86 | 79% | 0.786 | S | S | * | * | S | Bend | trans | -100.6 | -3.7 | -173.1 | -153.6 | -98.8 | 0 | 0 | 0 | 115.1 | ||
| 9 | W | 49.3 | Very low | 47.5 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -112.7 | -2.3 | -175.4 | 70.6 | -85.2 | 0 | 0 | 0 | 114.5 | V11 | W9-V11 VanDerWaalsContact C-N 3.27Å; W9-V11 PolarHBondContact O-N 3.44Å |
| 10 | E | 44.3 | Very low | 47.2 | Very low | 150 Ų | 150 | 144.5 Ų | 144.5 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -91.8 | 56.4 | 174.8 | -154.9 | 78.5 | -146.3 | 0 | 0 | 110.5 | ||||
| 11 | V | 47 | Very low | 46.9 | Very low | 121 Ų | 121 | 142 Ų | 142 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | trans | -125.8 | 98.4 | 166.7 | 179 | 0 | 0 | 0 | 0 | 106.9 | W9 | W9-V11 VanDerWaalsContact C-N 3.27Å; W9-V11 PolarHBondContact O-N 3.44Å | ||
| 12 | D | 53.2 | Low | 47.2 | Very low | 152 Ų | 152 | 137.1 Ų | 137.1 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -52.7 | 126.1 | 169.4 | -111.5 | -24.8 | 0 | 0 | 0 | 109.3 | ||
| 13 | P | 53.2 | Low | 47.2 | Very low | 107 Ų | 107 | 138.6 Ų | 138.6 | 70% | 0.695 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -67.7 | 140.6 | 174 | 27.4 | -31.8 | 0 | 0 | 0 | 109.5 | ||
| 14 | P | 50.8 | Low | 47.4 | Very low | 111 Ų | 111 | 137.1 Ų | 137.1 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 145.9 | 179.3 | 25 | -32.8 | 0 | 0 | 0 | 110.7 | I16 | P14-I16 PolarHBondContact O-N 3.37Å; P14-I16 VanDerWaalsContact O-N 3.15Å |
| 15 | P | 53 | Low | 47.3 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 120.9 | 178.7 | 24 | -31.8 | 0 | 0 | 0 | 110 | ||
| 16 | I | 51.3 | Low | 47.3 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 77% | 0.774 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 126.4 | 174.7 | -60.9 | 160.8 | 0 | 0 | 0 | 108 | P14 L18 | P14-I16 PolarHBondContact O-N 3.37Å; P14-I16 VanDerWaalsContact O-N 3.15Å; I16-L18 PolarHBondContact O-N 3.06Å |
| 17 | P | 41 | Very low | 47.4 | Very low | 109 Ų | 109 | 139.1 Ų | 139.1 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -67.3 | 111.6 | 175.1 | 24.9 | -30.3 | 0 | 0 | 0 | 109.7 | N19 | P17-N19 PolarHBondContact O-N 3.24Š| ||
| 18 | L | 49.9 | Very low | 47.6 | Very low | 169 Ų | 169 | 138.6 Ų | 138.6 | 89% | 0.885 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -63.9 | 74.8 | 162.9 | -76.8 | 160.1 | 0 | 0 | 0 | 109.2 | I16 | I16-L18 PolarHBondContact O-N 3.06Š|
| 19 | N | 44.2 | Very low | 47.9 | Very low | 154 Ų | 154 | 132.9 Ų | 132.9 | 82% | 0.824 | 73% | 0.726 | S | S | * | * | trans | -175.3 | 65.5 | 161.4 | -95.6 | -16.4 | 0 | 0 | 0 | 111 | P17 | P17-N19 PolarHBondContact O-N 3.24Š| ||
| 20 | C | 40.1 | Very low | 47.8 | Very low | 119 Ų | 119 | 134.7 Ų | 134.7 | 80% | 0.804 | 73% | 0.733 | S | S | * | * | trans | -112.8 | 85.4 | 150.5 | -79.4 | 0 | 0 | 0 | 0 | 106.5 | I22 | C20-I22 VanDerWaalsContact C-N 3.26Å; C20-I22 PolarHBondContact O-N 3.24Å | ||
| 21 | A | 42.2 | Very low | 48 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 76% | 0.76 | 74% | 0.735 | S | S | * | * | trans | -63.2 | 96.7 | 161.6 | 0 | 0 | 0 | 0 | 0 | 106.7 | P23 | A21-P23 VanDerWaalsContact O-CD 3.24Å; A21-P23 WeakPolarHBondContact O-CD 3.45Å; A21-P23 VanDerWaalsContact O-N 3.17Å | ||
| 22 | I | 47.8 | Very low | 48.5 | Very low | 147 Ų | 147 | 135.2 Ų | 135.2 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | trans | -60.6 | 114.2 | 168.5 | -60.6 | 170.8 | 0 | 0 | 0 | 105.4 | C20 N24 | C20-I22 VanDerWaalsContact C-N 3.26Å; C20-I22 PolarHBondContact O-N 3.24Å; I22-N24 PolarHBondContact O-N 2.92Å; I22-N24 VanDerWaalsContact O-N 3.15Å | ||
| 23 | P | 44.3 | Very low | 48.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 68% | 0.675 | 72% | 0.723 | S | S | * | * | trans | -60.7 | 125.5 | 173.3 | 25.4 | -30.4 | 0 | 0 | 0 | 106.9 | A21 Q25 | A21-P23 VanDerWaalsContact O-CD 3.24Å; A21-P23 WeakPolarHBondContact O-CD 3.45Å; A21-P23 VanDerWaalsContact O-N 3.17Å; P23-Q25 PolarHBondContact O-N 3.21Å | ||
| 24 | N | 47.4 | Very low | 49 | Very low | 108 Ų | 108 | 133.2 Ų | 133.2 | 58% | 0.578 | 72% | 0.719 | S | S | * | * | trans | -62.6 | 81.7 | -177.1 | -136.8 | -82.8 | 0 | 0 | 0 | 109.3 | I22 D26 Y27 | I22-N24 PolarHBondContact O-N 2.92Å; I22-N24 VanDerWaalsContact O-N 3.15Å; N24-D26 PolarHBondContact O-N 2.85Å; N24-D26 VanDerWaalsContact O-N 3.17Å; N24-Y27 PolarHBondContact O-N 3.42Å | ||
| 25 | Q | 48.5 | Very low | 49.6 | Very low | 141 Ų | 141 | 132.3 Ų | 132.3 | 66% | 0.659 | 71% | 0.714 | S | S | * | * | G | 310 helix | trans | -65.5 | -8.5 | 175.2 | -86.5 | -165.7 | -12.2 | 0 | 0 | 112.6 | P23 Y27 E28 | P23-Q25 PolarHBondContact O-N 3.21Å; Q25-Y27 PolarHBondContact O-N 3.29Å; Q25-Y27 VanDerWaalsContact O-N 3.11Å; Q25-E28 PolarHBondContact O-N 3.5Å |
| 26 | D | 47.8 | Very low | 50.2 | Low | 128 Ų | 128 | 128.8 Ų | 128.8 | 68% | 0.684 | 70% | 0.7 | S | S | * | * | G | 310 helix | trans | -62.6 | -15.4 | 175.1 | -63.2 | -38.4 | 0 | 0 | 0 | 113.3 | N24 | N24-D26 PolarHBondContact O-N 2.85Å; N24-D26 VanDerWaalsContact O-N 3.17Å |
| 27 | Y | 48.5 | Very low | 51.3 | Low | 191 Ų | 191 | 125.4 Ų | 125.4 | 75% | 0.749 | 69% | 0.687 | S | S | * | * | G | 310 helix | trans | -84.4 | -20.9 | 177 | -92.8 | -92.5 | 0 | 0 | 0 | 114.7 | N24 Q25 | N24-Y27 PolarHBondContact O-N 3.42Å; Q25-Y27 PolarHBondContact O-N 3.29Å; Q25-Y27 VanDerWaalsContact O-N 3.11Å |
| 28 | E | 50.8 | Low | 53.3 | Low | 148 Ų | 148 | 125 Ų | 125 | 69% | 0.692 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.5 | -30.3 | 178 | -71.6 | -169.6 | 159.2 | 0 | 0 | 112.1 | Q25 R30 K31 | Q25-E28 PolarHBondContact O-N 3.5Å; E28-R30 PolarHBondContact O-N 3.28Å; E28-R30 VanDerWaalsContact O-N 3.09Å; E28-K31 PolarHBondContact O-N 2.97Å; E28-K31 VanDerWaalsContact O-N 3.12Å |
| 29 | C | 50.4 | Low | 55 | Low | 77 Ų | 77 | 118.6 Ų | 118.6 | 52% | 0.52 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -69.3 | -9 | -179.1 | -164.6 | 0 | 0 | 0 | 0 | 114.1 | ||
| 30 | R | 48.3 | Very low | 57.1 | Low | 222 Ų | 222 | 115.2 Ų | 115.2 | 84% | 0.838 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -6.8 | 176.5 | -159.4 | 174.9 | -167.8 | -173.6 | 4 | 113.2 | E28 | E28-R30 PolarHBondContact O-N 3.28Å; E28-R30 VanDerWaalsContact O-N 3.09Å |
| 31 | K | 49.1 | Very low | 59.5 | Low | 171 Ų | 171 | 116 Ų | 116 | 74% | 0.743 | 63% | 0.625 | S | S | * | * | trans | -101.5 | 22.7 | -163.5 | -132.3 | 171.2 | -176.2 | 175.9 | 0 | 114.8 | E28 | E28-K31 PolarHBondContact O-N 2.97Å; E28-K31 VanDerWaalsContact O-N 3.12Å | ||
| 32 | D | 56.1 | Low | 61.9 | Low | 111 Ų | 111 | 116.3 Ų | 116.3 | 59% | 0.594 | 61% | 0.613 | S | S | * | * | trans | -105.1 | 50.5 | 173.8 | -65.6 | -38 | 0 | 0 | 0 | 111.9 | S34 C35 | D32-S34 PolarHBondContact O-N 3.06Å; D32-C35 PolarHBondContact O-N 3.46Å | ||
| 33 | D | 57.7 | Low | 64.1 | Low | 130 Ų | 130 | 114.4 Ų | 114.4 | 70% | 0.695 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -58.5 | -10.5 | 167.8 | -67.9 | -40.7 | 0 | 0 | 0 | 112.6 | C35 G36 T37 | D33-C35 VanDerWaalsContact C-N 3.28Å; D33-C35 PolarHBondContact O-N 2.8Å; D33-G36 PolarHBondContact O-N 3.48Å; D33-T37 PolarHBondContact O-N 2.9Å; D33-T37 PolarHBondContact O-OG1 2.68Å |
| 34 | S | 59.4 | Low | 66.5 | Low | 88 Ų | 88 | 116.6 Ų | 116.6 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61 | -33.7 | 170.5 | -166.4 | 0 | 0 | 0 | 0 | 112.6 | D32 T37 I38 | D32-S34 PolarHBondContact O-N 3.06Å; S34-T37 PolarHBondContact O-N 3.41Å; S34-I38 WeakPolarHBondContact O-CB 3.45Å; S34-I38 PolarHBondContact O-N 3.4Å |
| 35 | C | 62.8 | Low | 68.8 | Low | 92 Ų | 92 | 118.4 Ų | 118.4 | 62% | 0.622 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.6 | -35.9 | -179.5 | -169.3 | 0 | 0 | 0 | 0 | 112.4 | D32 D33 G39 | D32-C35 PolarHBondContact O-N 3.46Å; D33-C35 VanDerWaalsContact C-N 3.28Å; D33-C35 PolarHBondContact O-N 2.8Å; C35-G39 PolarHBondContact O-N 3.49Å |
| 36 | G | 67.4 | Low | 71.1 | Confident | 52 Ų | 52 | 118.2 Ų | 118.2 | 54% | 0.536 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -67.6 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | D33 N40 | D33-G36 PolarHBondContact O-N 3.48Å; G36-N40 WeakPolarHBondContact O-CB 3.3Å; G36-N40 PolarHBondContact O-N 2.79Å |
| 37 | T | 74.3 | Confident | 73.4 | Confident | 81 Ų | 81 | 115.3 Ų | 115.3 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69 | -47.6 | -179.5 | -58 | 0 | 0 | 0 | 0 | 111.4 | D33 S34 G39 N40 F41 | D33-T37 PolarHBondContact O-N 2.9Å; D33-T37 PolarHBondContact O-OG1 2.68Å; S34-T37 PolarHBondContact O-N 3.41Å; T37-G39 VanDerWaalsContact C-N 3.31Å; T37-G39 PolarHBondContact O-N 2.87Å; T37-N40 PolarHBondContact O-N 3.31Å; T37-F41 HydrophobicContact CG2-CD2 3.89Å; T37-F41 HydrophobicContact CG2-CE2 3.46Å; T37-F41 VanDerWaalsContact CG2-CE2 3.46Å; T37-F41 WeakPolarHBondContact O-CD2 3.23Å; T37-F41 PolarHBondContact O-N 3.32Å; T37-F41 VanDerWaalsContact O-N 3.07Å |
| 38 | I | 82.9 | Confident | 75.6 | Confident | 101 Ų | 101 | 110.5 Ų | 110.5 | 52% | 0.518 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.1 | -37 | 177.7 | -148.9 | 76.7 | 0 | 0 | 0 | 111.4 | S34 F41 L42 | S34-I38 WeakPolarHBondContact O-CB 3.45Å; S34-I38 PolarHBondContact O-N 3.4Å; I38-F41 PolarHBondContact O-N 3.09Å; I38-L42 WeakPolarHBondContact O-CG 3.15Å; I38-L42 PolarHBondContact O-N 2.98Å |
| 39 | G | 85.4 | Confident | 77.8 | Confident | 34 Ų | 34 | 106.4 Ų | 106.4 | 35% | 0.351 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.6 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | C35 T37 L42 L43 | C35-G39 PolarHBondContact O-N 3.49Å; T37-G39 VanDerWaalsContact C-N 3.31Å; T37-G39 PolarHBondContact O-N 2.87Å; G39-L42 PolarHBondContact O-N 2.91Å; G39-L43 WeakPolarHBondContact O-CB 3.39Å; G39-L43 PolarHBondContact O-N 3.27Å |
| 40 | N | 87.8 | Confident | 79.9 | Confident | 82 Ų | 82 | 109 Ų | 109 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.9 | -40 | 176.5 | -173.7 | 55.1 | 0 | 0 | 0 | 112.1 | G36 T37 L43 W44 | G36-N40 WeakPolarHBondContact O-CB 3.3Å; G36-N40 PolarHBondContact O-N 2.79Å; T37-N40 PolarHBondContact O-N 3.31Å; N40-L43 PolarHBondContact O-N 2.9Å; N40-W44 PolarHBondContact O-N 2.84Å |
| 41 | F | 90 | Very high | 82.2 | Confident | 136 Ų | 136 | 101.5 Ų | 101.5 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.1 | -44 | 174 | -77.8 | -62.2 | 0 | 0 | 0 | 112.3 | T37 I38 W44 Y45 | T37-F41 HydrophobicContact CG2-CD2 3.89Å; T37-F41 HydrophobicContact CG2-CE2 3.46Å; T37-F41 VanDerWaalsContact CG2-CE2 3.46Å; T37-F41 WeakPolarHBondContact O-CD2 3.23Å; T37-F41 PolarHBondContact O-N 3.32Å; T37-F41 VanDerWaalsContact O-N 3.07Å; I38-F41 PolarHBondContact O-N 3.09Å; F41-W44 PolarHBondContact O-N 3.47Å; F41-Y45 WeakPolarHBondContact O-CB 3.4Å; F41-Y45 PolarHBondContact O-N 3.33Å |
| 42 | L | 92.4 | Very high | 84.3 | Confident | 99 Ų | 99 | 98.3 Ų | 98.3 | 52% | 0.518 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -41.8 | 176.5 | -70.7 | 171.1 | 0 | 0 | 0 | 111.7 | I38 G39 Y45 F46 | I38-L42 WeakPolarHBondContact O-CG 3.15Å; I38-L42 PolarHBondContact O-N 2.98Å; G39-L42 PolarHBondContact O-N 2.91Å; L42-Y45 WeakPolarHBondContact O-CB 3.38Å; L42-Y45 PolarHBondContact O-N 2.85Å; L42-F46 WeakPolarHBondContact O-CD2 3.19Å; L42-F46 PolarHBondContact O-N 2.86Å |
| 43 | L | 93.7 | Very high | 86.1 | Confident | 107 Ų | 107 | 96.4 Ų | 96.4 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.9 | -49.9 | 176.7 | -177.5 | 67.1 | 0 | 0 | 0 | 111.3 | G39 N40 Y45 F46 V47 | G39-L43 WeakPolarHBondContact O-CB 3.39Å; G39-L43 PolarHBondContact O-N 3.27Å; N40-L43 PolarHBondContact O-N 2.9Å; L43-Y45 VanDerWaalsContact C-N 3.31Å; L43-Y45 PolarHBondContact O-N 3.3Å; L43-F46 PolarHBondContact O-N 3.39Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.23Å |
| 44 | W | 96.1 | Very high | 87.8 | Confident | 149 Ų | 149 | 96.6 Ų | 96.6 | 56% | 0.564 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -39.7 | 177.5 | -90.9 | 99.2 | 0 | 0 | 0 | 112.6 | N40 F41 F46 V47 I48 | N40-W44 PolarHBondContact O-N 2.84Å; F41-W44 PolarHBondContact O-N 3.47Å; W44-F46 PolarHBondContact O-N 2.92Å; W44-V47 PolarHBondContact O-N 2.88Å; W44-I48 VanDerWaalsContact O-CG1 3.26Å; W44-I48 WeakPolarHBondContact O-CG1 3.2Å; W44-I48 PolarHBondContact O-N 2.99Å |
| 45 | Y | 95.9 | Very high | 89.2 | Confident | 147 Ų | 147 | 98.2 Ų | 98.2 | 58% | 0.576 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -58.4 | -48.4 | 174.2 | 175.9 | -97.7 | 0 | 0 | 0 | 111.7 | F41 L42 L43 V47 I48 V49 | F41-Y45 WeakPolarHBondContact O-CB 3.4Å; F41-Y45 PolarHBondContact O-N 3.33Å; L42-Y45 WeakPolarHBondContact O-CB 3.38Å; L42-Y45 PolarHBondContact O-N 2.85Å; L43-Y45 VanDerWaalsContact C-N 3.31Å; L43-Y45 PolarHBondContact O-N 3.3Å; Y45-V47 PolarHBondContact O-N 2.9Å; Y45-I48 PolarHBondContact O-N 3.45Å; Y45-V49 HydrophobicContact CD1-CG2 4.36Å; Y45-V49 HydrophobicContact CE1-CG2 3.95Å; Y45-V49 HydrophobicContact CE2-CG2 4.13Å; Y45-V49 WeakPolarHBondContact O-CG2 3.5Å; Y45-V49 PolarHBondContact O-N 3.41Å |
| 46 | F | 95.6 | Very high | 90.3 | Very high | 136 Ų | 136 | 97.9 Ų | 97.9 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63 | -40.5 | 177.3 | -82.8 | -68.1 | 0 | 0 | 0 | 112.7 | L42 L43 W44 V49 F50 | L42-F46 WeakPolarHBondContact O-CD2 3.19Å; L42-F46 PolarHBondContact O-N 2.86Å; L43-F46 PolarHBondContact O-N 3.39Å; W44-F46 PolarHBondContact O-N 2.92Å; F46-V49 PolarHBondContact O-N 3.31Å; F46-F50 VanDerWaalsContact O-CB 3.29Å; F46-F50 WeakPolarHBondContact O-CB 3.29Å; F46-F50 PolarHBondContact O-N 2.95Å |
| 47 | V | 96.4 | Very high | 91.1 | Very high | 67 Ų | 67 | 103.7 Ų | 103.7 | 41% | 0.406 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.5 | -46.6 | 176 | 171.5 | 0 | 0 | 0 | 0 | 110.7 | L43 W44 Y45 F50 V51 | L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 3.23Å; W44-V47 PolarHBondContact O-N 2.88Å; Y45-V47 PolarHBondContact O-N 2.9Å; V47-F50 PolarHBondContact O-N 2.86Å; V47-V51 HydrophobicContact CG1-CG2 4.39Å; V47-V51 WeakPolarHBondContact O-CB 3.31Å; V47-V51 VanDerWaalsContact O-CG2 3.25Å; V47-V51 WeakPolarHBondContact O-CG2 3.35Å; V47-V51 PolarHBondContact O-N 3.21Å |
| 48 | I | 95.9 | Very high | 91.2 | Very high | 91 Ų | 91 | 101.4 Ų | 101.4 | 47% | 0.467 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -47.9 | 178.3 | -67.5 | 164.3 | 0 | 0 | 0 | 110.6 | W44 Y45 F50 V51 L52 | W44-I48 VanDerWaalsContact O-CG1 3.26Å; W44-I48 WeakPolarHBondContact O-CG1 3.2Å; W44-I48 PolarHBondContact O-N 2.99Å; Y45-I48 PolarHBondContact O-N 3.45Å; I48-F50 VanDerWaalsContact C-N 3.29Å; I48-F50 PolarHBondContact O-N 2.96Å; I48-V51 PolarHBondContact O-N 3.22Å; I48-L52 HydrophobicContact CG2-CD1 3.93Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.44Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.41Å |
| 49 | V | 95.6 | Very high | 90.7 | Very high | 62 Ų | 62 | 100.1 Ų | 100.1 | 38% | 0.376 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | 177.8 | 172.2 | 0 | 0 | 0 | 0 | 111.1 | Y45 F46 L52 M53 | Y45-V49 HydrophobicContact CD1-CG2 4.36Å; Y45-V49 HydrophobicContact CE1-CG2 3.95Å; Y45-V49 HydrophobicContact CE2-CG2 4.13Å; Y45-V49 WeakPolarHBondContact O-CG2 3.5Å; Y45-V49 PolarHBondContact O-N 3.41Å; F46-V49 PolarHBondContact O-N 3.31Å; V49-L52 PolarHBondContact O-N 3.46Å; V49-M53 VanDerWaalsContact O-CB 3.3Å; V49-M53 WeakPolarHBondContact O-CB 3.3Å; V49-M53 PolarHBondContact O-N 3.32Å |
| 50 | F | 96 | Very high | 90.1 | Very high | 132 Ų | 132 | 102.9 Ų | 102.9 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 179.1 | -164.2 | -94.2 | 0 | 0 | 0 | 112 | F46 V47 I48 M53 F54 | F46-F50 VanDerWaalsContact O-CB 3.29Å; F46-F50 WeakPolarHBondContact O-CB 3.29Å; F46-F50 PolarHBondContact O-N 2.95Å; V47-F50 PolarHBondContact O-N 2.86Å; I48-F50 VanDerWaalsContact C-N 3.29Å; I48-F50 PolarHBondContact O-N 2.96Å; F50-M53 HydrophobicContact CD2-CE 3.8Å; F50-M53 HydrophobicContact CE2-CE 3.84Å; F50-M53 PolarHBondContact O-N 3.5Å; F50-F54 WeakPolarHBondContact O-CB 3.3Å; F50-F54 PolarHBondContact O-N 2.97Å |
| 51 | V | 95.4 | Very high | 89.4 | Confident | 63 Ų | 63 | 108.8 Ų | 108.8 | 38% | 0.382 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 175.3 | 169.7 | 0 | 0 | 0 | 0 | 110.9 | V47 I48 M53 F54 F55 | V47-V51 HydrophobicContact CG1-CG2 4.39Å; V47-V51 WeakPolarHBondContact O-CB 3.31Å; V47-V51 VanDerWaalsContact O-CG2 3.25Å; V47-V51 WeakPolarHBondContact O-CG2 3.35Å; V47-V51 PolarHBondContact O-N 3.21Å; I48-V51 PolarHBondContact O-N 3.22Å; V51-M53 PolarHBondContact O-N 3.01Å; V51-F54 PolarHBondContact O-N 2.96Å; V51-F55 HydrophobicContact CG1-CD2 3.51Å; V51-F55 HydrophobicContact CG1-CE2 3.26Å; V51-F55 HydrophobicContact CG1-CZ 4.42Å; V51-F55 WeakPolarHBondContact O-CD2 3.31Å; V51-F55 PolarHBondContact O-N 3.39Å |
| 52 | L | 93.9 | Very high | 88 | Confident | 104 Ų | 104 | 108.3 Ų | 108.3 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63 | -40.5 | 175.7 | -69.4 | 174.5 | 0 | 0 | 0 | 112.1 | I48 V49 F54 F55 T56 | I48-L52 HydrophobicContact CG2-CD1 3.93Å; I48-L52 HydrophobicContact CG2-CG 4.36Å; I48-L52 WeakPolarHBondContact O-CB 3.44Å; I48-L52 VanDerWaalsContact O-CG 3.3Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.41Å; V49-L52 PolarHBondContact O-N 3.46Å; L52-F54 VanDerWaalsContact C-N 3.33Å; L52-F55 PolarHBondContact O-N 2.88Å; L52-T56 WeakPolarHBondContact O-CB 3.49Å; L52-T56 VanDerWaalsContact O-CG2 3.31Å; L52-T56 WeakPolarHBondContact O-CG2 3.41Å; L52-T56 PolarHBondContact O-N 2.68Å; L52-T56 PolarHBondContact O-OG1 3.09Å |
| 53 | M | 94.3 | Very high | 86.3 | Confident | 71 Ų | 71 | 107.2 Ų | 107.2 | 35% | 0.35 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.7 | -39 | 175.1 | -174.2 | -177.8 | 66.4 | 0 | 0 | 111.5 | V49 F50 V51 T56 R57 | V49-M53 VanDerWaalsContact O-CB 3.3Å; V49-M53 WeakPolarHBondContact O-CB 3.3Å; V49-M53 PolarHBondContact O-N 3.32Å; F50-M53 HydrophobicContact CD2-CE 3.8Å; F50-M53 HydrophobicContact CE2-CE 3.84Å; F50-M53 PolarHBondContact O-N 3.5Å; V51-M53 PolarHBondContact O-N 3.01Å; M53-T56 WeakPolarHBondContact CA-OG1 3.35Å; M53-T56 PolarHBondContact O-OG1 3.18Å; M53-R57 WeakPolarHBondContact O-CB 3.26Å; M53-R57 WeakPolarHBondContact O-CG 3.38Å; M53-R57 PolarHBondContact O-N 2.96Å; M53-R57 VanDerWaalsContact O-N 3.09Å |
| 54 | F | 92.7 | Very high | 84.5 | Confident | 134 Ų | 134 | 108.9 Ų | 108.9 | 59% | 0.588 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -45.8 | 175.7 | -174.7 | -96.4 | 0 | 0 | 0 | 111.3 | F50 V51 L52 T56 R57 A58 | F50-F54 WeakPolarHBondContact O-CB 3.3Å; F50-F54 PolarHBondContact O-N 2.97Å; V51-F54 PolarHBondContact O-N 2.96Å; L52-F54 VanDerWaalsContact C-N 3.33Å; F54-T56 PolarHBondContact O-N 2.89Å; F54-R57 PolarHBondContact O-N 3.32Å; F54-A58 VanDerWaalsContact O-CB 3.3Å; F54-A58 WeakPolarHBondContact O-CB 3.19Å; F54-A58 PolarHBondContact O-N 3.41Å |
| 55 | F | 88.7 | Confident | 82.6 | Confident | 123 Ų | 123 | 107.2 Ų | 107.2 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.1 | -38.2 | 177.5 | -78.4 | -58.4 | 0 | 0 | 0 | 113.2 | V51 L52 A58 S59 | V51-F55 HydrophobicContact CG1-CD2 3.51Å; V51-F55 HydrophobicContact CG1-CE2 3.26Å; V51-F55 HydrophobicContact CG1-CZ 4.42Å; V51-F55 WeakPolarHBondContact O-CD2 3.31Å; V51-F55 PolarHBondContact O-N 3.39Å; L52-F55 PolarHBondContact O-N 2.88Å; F55-A58 PolarHBondContact O-N 3.37Å; F55-S59 WeakPolarHBondContact O-CB 3.33Å; F55-S59 PolarHBondContact O-N 3.06Å; F55-S59 PolarHBondContact O-OG 2.92Å |
| 56 | T | 85.4 | Confident | 80.8 | Confident | 85 Ų | 85 | 108.6 Ų | 108.6 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.6 | -43.1 | 175 | 48 | 0 | 0 | 0 | 0 | 111.2 | L52 M53 F54 S59 V60 | L52-T56 WeakPolarHBondContact O-CB 3.49Å; L52-T56 VanDerWaalsContact O-CG2 3.31Å; L52-T56 WeakPolarHBondContact O-CG2 3.41Å; L52-T56 PolarHBondContact O-N 2.68Å; L52-T56 PolarHBondContact O-OG1 3.09Å; M53-T56 WeakPolarHBondContact CA-OG1 3.35Å; M53-T56 PolarHBondContact O-OG1 3.18Å; F54-T56 PolarHBondContact O-N 2.89Å; T56-S59 PolarHBondContact O-N 3.05Å; T56-V60 VanDerWaalsContact O-CG2 3.31Å; T56-V60 WeakPolarHBondContact O-CG2 3.42Å; T56-V60 PolarHBondContact O-N 3.06Å |
| 57 | R | 84.1 | Confident | 78.9 | Confident | 173 Ų | 173 | 110.4 Ų | 110.4 | 65% | 0.653 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -65 | -43.5 | 174 | -74.3 | -179.4 | 174.9 | 176.7 | -0.5 | 113 | M53 F54 S59 V60 W61 | M53-R57 WeakPolarHBondContact O-CB 3.26Å; M53-R57 WeakPolarHBondContact O-CG 3.38Å; M53-R57 PolarHBondContact O-N 2.96Å; M53-R57 VanDerWaalsContact O-N 3.09Å; F54-R57 PolarHBondContact O-N 3.32Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 2.97Å; R57-V60 PolarHBondContact O-N 3.07Å; R57-W61 PolarHBondContact O-N 2.84Å |
| 58 | A | 77.3 | Confident | 76.7 | Confident | 33 Ų | 33 | 113.8 Ų | 113.8 | 27% | 0.273 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -65.1 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F54 F55 W61 M62 | F54-A58 VanDerWaalsContact O-CB 3.3Å; F54-A58 WeakPolarHBondContact O-CB 3.19Å; F54-A58 PolarHBondContact O-N 3.41Å; F55-A58 PolarHBondContact O-N 3.37Å; A58-W61 PolarHBondContact O-N 2.91Å; A58-M62 WeakPolarHBondContact O-CB 3.22Å; A58-M62 VanDerWaalsContact O-CG 3.23Å; A58-M62 WeakPolarHBondContact O-CG 3.32Å; A58-M62 PolarHBondContact O-N 3.37Å |
| 59 | S | 72.5 | Confident | 74.4 | Confident | 74 Ų | 74 | 118.1 Ų | 118.1 | 52% | 0.517 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -68.4 | -36.4 | 176 | -59.2 | 0 | 0 | 0 | 0 | 112.1 | F55 T56 R57 S63 | F55-S59 WeakPolarHBondContact O-CB 3.33Å; F55-S59 PolarHBondContact O-N 3.06Å; F55-S59 PolarHBondContact O-OG 2.92Å; T56-S59 PolarHBondContact O-N 3.05Å; R57-S59 VanDerWaalsContact C-N 3.32Å; R57-S59 PolarHBondContact O-N 2.97Å; S59-S63 WeakPolarHBondContact O-CB 3.47Å; S59-S63 PolarHBondContact O-N 3.19Å |
| 60 | V | 73.6 | Confident | 72 | Confident | 92 Ų | 92 | 118.4 Ų | 118.4 | 56% | 0.558 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -62.2 | -46.4 | 170.8 | 168.2 | 0 | 0 | 0 | 0 | 110 | T56 R57 M62 S63 E64 | T56-V60 VanDerWaalsContact O-CG2 3.31Å; T56-V60 WeakPolarHBondContact O-CG2 3.42Å; T56-V60 PolarHBondContact O-N 3.06Å; R57-V60 PolarHBondContact O-N 3.07Å; V60-M62 PolarHBondContact O-N 3Å; V60-S63 PolarHBondContact O-N 3.3Å; V60-E64 PolarHBondContact O-N 3.06Å |
| 61 | W | 71.9 | Confident | 69.7 | Low | 207 Ų | 207 | 117.4 Ų | 117.4 | 78% | 0.784 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.9 | -44 | -179.9 | -138.3 | 44.3 | 0 | 0 | 0 | 112.5 | R57 A58 S63 E64 D65 | R57-W61 PolarHBondContact O-N 2.84Å; A58-W61 PolarHBondContact O-N 2.91Å; W61-S63 VanDerWaalsContact C-N 3.29Å; W61-S63 PolarHBondContact O-N 2.92Å; W61-E64 PolarHBondContact O-N 3.09Å; W61-D65 PolarHBondContact O-N 3.46Å |
| 62 | M | 60.7 | Low | 66.9 | Low | 125 Ų | 125 | 117.9 Ų | 117.9 | 62% | 0.616 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -71.4 | -22.1 | 176.7 | -67.9 | -68.7 | 174 | 0 | 0 | 113.2 | A58 V60 K66 | A58-M62 WeakPolarHBondContact O-CB 3.22Å; A58-M62 VanDerWaalsContact O-CG 3.23Å; A58-M62 WeakPolarHBondContact O-CG 3.32Å; A58-M62 PolarHBondContact O-N 3.37Å; V60-M62 PolarHBondContact O-N 3Å; M62-K66 WeakPolarHBondContact O-CG 3.33Å |
| 63 | S | 57.8 | Low | 64.1 | Low | 77 Ų | 77 | 119.7 Ų | 119.7 | 54% | 0.538 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -81 | -24.9 | 173.7 | -178 | 0 | 0 | 0 | 0 | 112.6 | S59 V60 W61 | S59-S63 WeakPolarHBondContact O-CB 3.47Å; S59-S63 PolarHBondContact O-N 3.19Å; V60-S63 PolarHBondContact O-N 3.3Å; W61-S63 VanDerWaalsContact C-N 3.29Å; W61-S63 PolarHBondContact O-N 2.92Å |
| 64 | E | 55.9 | Low | 61.5 | Low | 142 Ų | 142 | 121.2 Ų | 121.2 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -79.4 | -38.9 | 178.5 | -159 | 146.5 | 133.9 | 0 | 0 | 111 | V60 W61 K66 K67 | V60-E64 PolarHBondContact O-N 3.06Å; W61-E64 PolarHBondContact O-N 3.09Å; E64-K66 PolarHBondContact O-N 3.01Å; E64-K67 PolarHBondContact O-N 3.49Å |
| 65 | D | 55.9 | Low | 58.9 | Low | 114 Ų | 114 | 121.4 Ų | 121.4 | 61% | 0.61 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -61.3 | -30.3 | 177.6 | -162.9 | 35.5 | 0 | 0 | 0 | 112.9 | W61 K67 | W61-D65 PolarHBondContact O-N 3.46Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 3.4Å |
| 66 | K | 58.2 | Low | 56.2 | Low | 175 Ų | 175 | 121.4 Ų | 121.4 | 76% | 0.761 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -77.6 | -7.4 | 177.3 | -63.2 | -127.8 | 177.5 | -174.6 | 0 | 114.7 | M62 E64 | M62-K66 WeakPolarHBondContact O-CG 3.33Å; E64-K66 PolarHBondContact O-N 3.01Å |
| 67 | K | 54.1 | Low | 54.2 | Low | 175 Ų | 175 | 123.7 Ų | 123.7 | 76% | 0.761 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -95.6 | -17.5 | 178 | -83.8 | -162.6 | 173.4 | -175.9 | 0 | 113.9 | E64 D65 | E64-K67 PolarHBondContact O-N 3.49Å; D65-K67 VanDerWaalsContact C-N 3.29Å; D65-K67 PolarHBondContact O-N 3.4Å |
| 68 | D | 50.3 | Low | 51.8 | Low | 138 Ų | 138 | 125.7 Ų | 125.7 | 74% | 0.738 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -92.1 | -10.5 | -176.4 | -125 | -7.7 | 0 | 0 | 0 | 114.1 | G70 | D68-G70 PolarHBondContact O-N 2.89Å |
| 69 | E | 49.3 | Very low | 49.9 | Very low | 181 Ų | 181 | 132.7 Ų | 132.7 | 85% | 0.846 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 10.7 | 172.8 | -87 | 179.2 | 143.8 | 0 | 0 | 114.3 | ||
| 70 | G | 44.3 | Very low | 48.2 | Very low | 69 Ų | 69 | 133.8 Ų | 133.8 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.5 | -5.1 | -173.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | D68 | D68-G70 PolarHBondContact O-N 2.89Š|
| 71 | S | 47.2 | Very low | 46.7 | Very low | 111 Ų | 111 | 134.8 Ų | 134.8 | 78% | 0.776 | 76% | 0.755 | S | S | * | * | trans | -114.6 | 77.2 | -171.2 | -174.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 72 | G | 36.3 | Very low | 44.9 | Very low | 73 Ų | 73 | 134.1 Ų | 134.1 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | -165 | 85.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 73 | T | 35.2 | Very low | 43.9 | Very low | 141 Ų | 141 | 136.8 Ų | 136.8 | 87% | 0.865 | 77% | 0.768 | S | S | * | * | trans | -52.5 | 128.2 | 174.5 | -52.6 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 74 | S | 39.6 | Very low | 42.7 | Very low | 104 Ų | 104 | 137.6 Ų | 137.6 | 73% | 0.727 | 77% | 0.77 | S | S | * | * | 167.3 | 117.2 | 118.3 | 48.3 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 75 | T | 37.8 | Very low | 41.8 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 84% | 0.84 | 77% | 0.772 | S | S | * | * | trans | 14.2 | 117.5 | 144.4 | 53.7 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 76 | S | 33.9 | Very low | 40.8 | Very low | 123 Ų | 123 | 139.6 Ų | 139.6 | 86% | 0.86 | 78% | 0.78 | S | S | * | * | trans | -162.9 | 121.4 | 134.6 | -179.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 77 | V | 42.1 | Very low | 39.7 | Very low | 134 Ų | 134 | 138.4 Ų | 138.4 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | -58.9 | 128.3 | 176.3 | 168.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 78 | R | 34.9 | Very low | 38.5 | Very low | 214 Ų | 214 | 142 Ų | 142 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | -172.4 | 115.7 | 133.7 | -108.3 | 173.8 | -179.5 | -163.6 | 2.1 | 114.9 | ||||
| 79 | K | 37.4 | Very low | 37.8 | Very low | 181 Ų | 181 | 142 Ų | 142 | 79% | 0.787 | 78% | 0.779 | S | S | * | * | trans | 63.9 | 100.1 | 137.4 | -68 | -178.6 | 176.1 | -175.3 | 0 | 119.5 | ||||
| 80 | A | 36.4 | Very low | 37.3 | Very low | 96 Ų | 96 | 139 Ų | 139 | 79% | 0.793 | 78% | 0.778 | S | S | * | * | 47.4 | 120.4 | 121.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 81 | S | 41.3 | Very low | 37.2 | Very low | 114 Ų | 114 | 144.4 Ų | 144.4 | 80% | 0.797 | 78% | 0.782 | S | S | * | * | 64.5 | 97.3 | 128.1 | -172.7 | 0 | 0 | 0 | 0 | 117.6 | |||||
| 82 | K | 33.8 | Very low | 36.6 | Very low | 192 Ų | 192 | 146.2 Ų | 146.2 | 84% | 0.835 | 78% | 0.783 | S | S | * | * | -165.7 | 104.1 | 123.1 | -127.8 | 165.7 | 176.8 | 174.8 | 0 | 112.3 | |||||
| 83 | E | 39.7 | Very low | 36.6 | Very low | 182 Ų | 182 | 153.6 Ų | 153.6 | 85% | 0.85 | 79% | 0.788 | S | S | * | * | trans | -58.9 | 125.9 | 160.4 | -167 | 172 | -172.9 | 0 | 0 | 109.5 | ||||
| 84 | T | 33.1 | Very low | 37.2 | Very low | 94 Ų | 94 | 151.5 Ų | 151.5 | 58% | 0.577 | 79% | 0.786 | S | S | * | * | trans | -134.8 | 88.2 | 163.6 | 17.1 | 0 | 0 | 0 | 0 | 109.1 | Y86 | T84-Y86 WeakPolarHBondContact O-CE2 3.26Š| ||
| 85 | S | 36.6 | Very low | 37.2 | Very low | 102 Ų | 102 | 158.3 Ų | 158.3 | 71% | 0.713 | 80% | 0.795 | S | S | * | * | trans | -69.1 | 116.9 | 162.8 | 155.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 86 | Y | 36 | Very low | 37.2 | Very low | 195 Ų | 195 | 158.8 Ų | 158.8 | 77% | 0.765 | 79% | 0.793 | S | S | * | * | trans | -95.6 | 98.2 | 168.5 | -28.4 | -82.6 | 0 | 0 | 0 | 108.6 | T84 W88 | T84-Y86 WeakPolarHBondContact O-CE2 3.26Å; Y86-W88 PolarHBondContact O-N 2.97Å | ||
| 87 | K | 33.4 | Very low | 37.6 | Very low | 151 Ų | 151 | 159.1 Ų | 159.1 | 66% | 0.657 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 114.9 | 170.3 | -177.8 | -177 | -178.2 | -175 | 0 | 110.2 | Q89 | K87-Q89 HydrophobicContact CD-CG 4.37Å; K87-Q89 HydrophobicContact CG-CG 3.92Å | ||
| 88 | W | 30.9 | Very low | 37.8 | Very low | 251 Ų | 251 | 157.9 Ų | 157.9 | 95% | 0.951 | 79% | 0.789 | S | S | * | * | trans | -111.4 | 102.2 | 154.3 | -94 | 71.7 | 0 | 0 | 0 | 108 | Y86 | Y86-W88 PolarHBondContact O-N 2.97Š| ||
| 89 | Q | 35.4 | Very low | 37.9 | Very low | 137 Ų | 137 | 155.4 Ų | 155.4 | 64% | 0.64 | 79% | 0.787 | S | S | * | * | trans | -82.4 | 119 | 173.1 | -79.1 | -164.4 | -13.8 | 0 | 0 | 109.4 | K87 | K87-Q89 HydrophobicContact CD-CG 4.37Å; K87-Q89 HydrophobicContact CG-CG 3.92Å | ||
| 90 | S | 38.8 | Very low | 38.5 | Very low | 118 Ų | 118 | 153.8 Ų | 153.8 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | trans | -106.8 | 108.6 | 156.7 | 178.7 | 0 | 0 | 0 | 0 | 107.4 | D92 | S90-D92 PolarHBondContact O-N 3.39Š| ||
| 91 | K | 41.5 | Very low | 38.5 | Very low | 183 Ų | 183 | 157 Ų | 157 | 80% | 0.796 | 79% | 0.793 | S | S | * | * | trans | -70.8 | 117.7 | 170.4 | -88.6 | 175.1 | 170 | 177.2 | 0 | 107.9 | ||||
| 92 | D | 33.6 | Very low | 38.8 | Very low | 149 Ų | 149 | 161 Ų | 161 | 80% | 0.797 | 80% | 0.796 | S | S | * | * | trans | -156.5 | 124.1 | 132.8 | -104.6 | -31.9 | 0 | 0 | 0 | 112.6 | S90 | S90-D92 PolarHBondContact O-N 3.39Š| ||
| 93 | R | 37 | Very low | 39.3 | Very low | 227 Ų | 227 | 161.4 Ų | 161.4 | 86% | 0.857 | 80% | 0.798 | S | S | * | * | trans | 59.1 | 105.5 | 154.9 | -145.3 | 166.9 | -68.4 | -153.4 | 0.2 | 119.3 | ||||
| 94 | A | 47.9 | Very low | 39.2 | Very low | 98 Ų | 98 | 158.5 Ų | 158.5 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -39.4 | 128.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 95 | W | 40.1 | Very low | 39.9 | Very low | 247 Ų | 247 | 163.4 Ų | 163.4 | 94% | 0.936 | 81% | 0.808 | S | S | * | * | trans | -142.4 | 115.6 | 150.3 | -139.2 | -53.4 | 0 | 0 | 0 | 107.3 | ||||
| 96 | D | 37.1 | Very low | 40.1 | Very low | 146 Ų | 146 | 167.3 Ų | 167.3 | 78% | 0.781 | 82% | 0.815 | S | S | * | * | trans | -59.2 | 129.5 | 176.9 | -84 | -43.1 | 0 | 0 | 0 | 111.5 | ||||
| 97 | P | 42.6 | Very low | 40.2 | Very low | 130 Ų | 130 | 164.9 Ų | 164.9 | 84% | 0.844 | 82% | 0.815 | S | S | * | * | trans | -104.4 | 71.5 | 168 | 36.5 | -25.5 | 0 | 0 | 0 | 109.8 | ||||
| 98 | S | 46.7 | Very low | 40.4 | Very low | 108 Ų | 108 | 166.4 Ų | 166.4 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -119.9 | 72.7 | 163.4 | 69.2 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 99 | Q | 37.5 | Very low | 41.3 | Very low | 163 Ų | 163 | 162.5 Ų | 162.5 | 76% | 0.762 | 82% | 0.821 | S | S | * | * | trans | -133.7 | 102.2 | 157.1 | -135.6 | -173.8 | 47.4 | 0 | 0 | 108.9 | M101 | Q99-M101 VanDerWaalsContact C-N 3.34Å; Q99-M101 PolarHBondContact O-N 3.44Å | ||
| 100 | T | 48.4 | Very low | 41.9 | Very low | 147 Ų | 147 | 161.1 Ų | 161.1 | 90% | 0.902 | 82% | 0.823 | S | S | * | * | trans | -51.8 | 95.7 | 162.1 | 45.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 101 | M | 37.6 | Very low | 42.4 | Very low | 163 Ų | 163 | 160.4 Ų | 160.4 | 80% | 0.803 | 82% | 0.815 | S | S | * | * | trans | -122.1 | 127 | 165.3 | -92.8 | -98.9 | 175.7 | 0 | 0 | 108.4 | Q99 | Q99-M101 VanDerWaalsContact C-N 3.34Å; Q99-M101 PolarHBondContact O-N 3.44Å | ||
| 102 | K | 46.5 | Very low | 43.2 | Very low | 198 Ų | 198 | 156.5 Ų | 156.5 | 86% | 0.861 | 81% | 0.806 | S | S | * | * | trans | -53.1 | 141.5 | -166.9 | -63.4 | 172 | 176.3 | 178.8 | 0 | 111.6 | ||||
| 103 | K | 45.8 | Very low | 44.7 | Very low | 201 Ų | 201 | 152.8 Ų | 152.8 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -37 | 123.1 | 161.1 | -88 | 178.1 | 171.4 | 176.5 | 0 | 109.8 | K105 | K103-K105 PolarHBondContact O-N 2.96Š| ||
| 104 | P | 37.5 | Very low | 45.8 | Very low | 120 Ų | 120 | 148.8 Ų | 148.8 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | trans | -62.4 | 121.8 | 153.3 | -10.6 | 26.1 | 0 | 0 | 0 | 105.8 | Q106 | P104-Q106 VanDerWaalsContact C-N 3.32Å; P104-Q106 PolarHBondContact O-N 3.47Å | ||
| 105 | K | 47.7 | Very low | 46.8 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -49.1 | 105.9 | 160.9 | -91.9 | 173.9 | 170.1 | 177.5 | 0 | 106.1 | K103 N107 | K103-K105 PolarHBondContact O-N 2.96Å; K105-N107 PolarHBondContact O-N 3.49Å | ||
| 106 | Q | 40 | Very low | 48.3 | Very low | 184 Ų | 184 | 141.1 Ų | 141.1 | 86% | 0.86 | 75% | 0.751 | S | S | * | * | trans | -57.7 | 109.5 | 167.2 | -177.5 | 172.9 | -0.9 | 0 | 0 | 105.5 | P104 Q108 | P104-Q106 VanDerWaalsContact C-N 3.32Å; P104-Q106 PolarHBondContact O-N 3.47Å; Q106-Q108 PolarHBondContact O-N 3.02Å | ||
| 107 | N | 38.4 | Very low | 50.2 | Low | 143 Ų | 143 | 138 Ų | 138 | 77% | 0.765 | 74% | 0.737 | S | S | * | * | trans | -47.1 | 119.1 | 174.7 | -78.1 | -24 | 0 | 0 | 0 | 107.5 | K105 L109 | K105-N107 PolarHBondContact O-N 3.49Å; N107-L109 VanDerWaalsContact C-N 3.3Å; N107-L109 PolarHBondContact O-N 2.82Å | ||
| 108 | Q | 37.6 | Very low | 51.9 | Low | 184 Ų | 184 | 134.6 Ų | 134.6 | 86% | 0.86 | 72% | 0.719 | S | S | * | * | trans | -58.3 | 101.8 | 166.3 | -67.7 | -142.8 | 80.5 | 0 | 0 | 106.5 | Q106 T110 | Q106-Q108 PolarHBondContact O-N 3.02Å; Q108-T110 VanDerWaalsContact C-N 3.31Å; Q108-T110 PolarHBondContact O-N 3.3Å | ||
| 109 | L | 49.1 | Very low | 53.5 | Low | 168 Ų | 168 | 135.7 Ų | 135.7 | 88% | 0.88 | 72% | 0.716 | S | S | * | * | trans | -62.9 | 106 | 156 | -84.6 | 133.7 | 0 | 0 | 0 | 104.8 | N107 | N107-L109 VanDerWaalsContact C-N 3.3Å; N107-L109 PolarHBondContact O-N 2.82Å | ||
| 110 | T | 49.3 | Very low | 55.7 | Low | 109 Ų | 109 | 132.1 Ų | 132.1 | 67% | 0.669 | 71% | 0.705 | S | S | * | * | trans | -47.3 | 126.9 | 172.8 | -40.7 | 0 | 0 | 0 | 0 | 107.7 | Q108 V112 | Q108-T110 VanDerWaalsContact C-N 3.31Å; Q108-T110 PolarHBondContact O-N 3.3Å; T110-V112 PolarHBondContact O-N 2.92Å | ||
| 111 | P | 49.3 | Very low | 57.4 | Low | 102 Ų | 102 | 129.4 Ų | 129.4 | 66% | 0.662 | 69% | 0.685 | S | S | * | * | trans | -58.2 | 120.7 | 173.2 | 22.5 | -29.9 | 0 | 0 | 0 | 107.2 | T113 | P111-T113 PolarHBondContact O-N 2.76Å; P111-T113 PolarHBondContact O-OG1 2.86Å; P111-T113 VanDerWaalsContact O-OG1 3.09Å | ||
| 112 | V | 57.6 | Low | 59.4 | Low | 101 Ų | 101 | 124.5 Ų | 124.5 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | trans | -50.8 | 108 | 173 | 171.2 | 0 | 0 | 0 | 0 | 106.3 | T110 V117 | T110-V112 PolarHBondContact O-N 2.92Å; V112-V117 HydrophobicContact CG1-CG2 3.64Å | ||
| 113 | T | 64.1 | Low | 61.3 | Low | 71 Ų | 71 | 121.9 Ų | 121.9 | 44% | 0.436 | 66% | 0.656 | S | S | . | * | trans | -77.3 | 140.1 | -171.2 | -59.5 | 0 | 0 | 0 | 0 | 107.1 | P111 S115 E116 | P111-T113 PolarHBondContact O-N 2.76Å; P111-T113 PolarHBondContact O-OG1 2.86Å; P111-T113 VanDerWaalsContact O-OG1 3.09Å; T113-S115 VanDerWaalsContact CG2-OG 3.32Å; T113-S115 WeakPolarHBondContact CG2-OG 3.33Å; T113-S115 PolarHBondContact O-N 3Å; T113-E116 PolarHBondContact O-N 2.89Å | ||
| 114 | N | 62 | Low | 63.2 | Low | 144 Ų | 144 | 115.8 Ų | 115.8 | 77% | 0.77 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -51.7 | -21.7 | -178.5 | -67.4 | -42.7 | 0 | 0 | 0 | 113.4 | A118 | N114-A118 WeakPolarHBondContact O-CB 3.32Å; N114-A118 PolarHBondContact O-N 2.91Å |
| 115 | S | 67.6 | Low | 65.4 | Low | 74 Ų | 74 | 114.4 Ų | 114.4 | 52% | 0.517 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -67.1 | -36.5 | 172.5 | 57.4 | 0 | 0 | 0 | 0 | 114.3 | T113 A118 L119 | T113-S115 VanDerWaalsContact CG2-OG 3.32Å; T113-S115 WeakPolarHBondContact CG2-OG 3.33Å; T113-S115 PolarHBondContact O-N 3Å; S115-A118 PolarHBondContact O-N 3.44Å; S115-L119 WeakPolarHBondContact O-CB 3.37Å; S115-L119 PolarHBondContact O-N 3.48Å |
| 116 | E | 72.9 | Confident | 67.1 | Low | 109 Ų | 109 | 109.7 Ų | 109.7 | 51% | 0.509 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -72.7 | -39.7 | 178.8 | -65.1 | -179 | 164 | 0 | 0 | 110.6 | T113 A118 L119 V120 | T113-E116 PolarHBondContact O-N 2.89Å; E116-A118 VanDerWaalsContact C-N 3.35Å; E116-L119 PolarHBondContact O-N 2.84Å; E116-V120 WeakPolarHBondContact O-CG2 3.45Å; E116-V120 PolarHBondContact O-N 3.45Å |
| 117 | V | 76.3 | Confident | 69 | Low | 81 Ų | 81 | 107.1 Ų | 107.1 | 49% | 0.491 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64 | -42.3 | 173.1 | -176.1 | 0 | 0 | 0 | 0 | 110.4 | V112 L119 V120 N121 | V112-V117 HydrophobicContact CG1-CG2 3.64Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.43Å; V117-V120 PolarHBondContact O-N 2.97Å; V117-N121 VanDerWaalsContact O-CB 3.26Å; V117-N121 WeakPolarHBondContact O-CB 3.43Å; V117-N121 PolarHBondContact O-N 3.45Å |
| 118 | A | 77.8 | Confident | 71.2 | Confident | 58 Ų | 58 | 106.6 Ų | 106.6 | 48% | 0.479 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -63.2 | -39.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | N114 S115 E116 N121 A122 | N114-A118 WeakPolarHBondContact O-CB 3.32Å; N114-A118 PolarHBondContact O-N 2.91Å; S115-A118 PolarHBondContact O-N 3.44Å; E116-A118 VanDerWaalsContact C-N 3.35Å; A118-N121 PolarHBondContact O-N 3.44Å; A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.48Å; A118-A122 PolarHBondContact O-N 2.93Å |
| 119 | L | 80.4 | Confident | 73 | Confident | 132 Ų | 132 | 100.5 Ų | 100.5 | 69% | 0.691 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -65.8 | -45.2 | 177.4 | -167.6 | 110.3 | 0 | 0 | 0 | 111.8 | S115 E116 V117 N121 A122 Y123 | S115-L119 WeakPolarHBondContact O-CB 3.37Å; S115-L119 PolarHBondContact O-N 3.48Å; E116-L119 PolarHBondContact O-N 2.84Å; V117-L119 VanDerWaalsContact C-N 3.35Å; V117-L119 PolarHBondContact O-N 3.43Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.28Å; L119-A122 PolarHBondContact O-N 3.38Å; L119-Y123 WeakPolarHBondContact O-CB 3.49Å; L119-Y123 PolarHBondContact O-N 3.44Å |
| 120 | V | 83.1 | Confident | 74.4 | Confident | 87 Ų | 87 | 100.1 Ų | 100.1 | 53% | 0.527 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.8 | -41 | 176.1 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | E116 V117 Y123 L124 | E116-V120 WeakPolarHBondContact O-CG2 3.45Å; E116-V120 PolarHBondContact O-N 3.45Å; V117-V120 PolarHBondContact O-N 2.97Å; V120-Y123 PolarHBondContact O-N 3.02Å; V120-L124 HydrophobicContact CG1-CD1 4.11Å; V120-L124 VanDerWaalsContact O-CG 3.32Å; V120-L124 WeakPolarHBondContact O-CG 3.27Å; V120-L124 PolarHBondContact O-N 3.02Å |
| 121 | N | 84.1 | Confident | 75.5 | Confident | 90 Ų | 90 | 102 Ų | 102 | 48% | 0.481 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.8 | -42.5 | 179.1 | -154.4 | 24.3 | 0 | 0 | 0 | 111.6 | V117 A118 L119 Y123 L124 E125 | V117-N121 VanDerWaalsContact O-CB 3.26Å; V117-N121 WeakPolarHBondContact O-CB 3.43Å; V117-N121 PolarHBondContact O-N 3.45Å; A118-N121 PolarHBondContact O-N 3.44Å; L119-N121 VanDerWaalsContact C-N 3.32Å; L119-N121 PolarHBondContact O-N 3.28Å; N121-Y123 VanDerWaalsContact C-N 3.33Å; N121-Y123 PolarHBondContact O-N 2.98Å; N121-L124 PolarHBondContact O-N 2.65Å; N121-E125 WeakPolarHBondContact O-CB 3.48Å; N121-E125 WeakPolarHBondContact O-CG 3.07Å; N121-E125 PolarHBondContact O-N 2.74Å |
| 122 | A | 80.9 | Confident | 76.5 | Confident | 61 Ų | 61 | 103.4 Ų | 103.4 | 50% | 0.504 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.5 | -40.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | A118 L119 E125 Q126 | A118-A122 VanDerWaalsContact O-CB 3.27Å; A118-A122 WeakPolarHBondContact O-CB 3.48Å; A118-A122 PolarHBondContact O-N 2.93Å; L119-A122 PolarHBondContact O-N 3.38Å; A122-E125 PolarHBondContact O-N 3.03Å; A122-Q126 WeakPolarHBondContact O-CB 3.34Å; A122-Q126 PolarHBondContact O-N 3.19Å |
| 123 | Y | 86.2 | Confident | 77.1 | Confident | 142 Ų | 142 | 102 Ų | 102 | 56% | 0.557 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.8 | -41.7 | 175.2 | 178.7 | -97.9 | 0 | 0 | 0 | 112.2 | L119 V120 N121 Q126 R127 | L119-Y123 WeakPolarHBondContact O-CB 3.49Å; L119-Y123 PolarHBondContact O-N 3.44Å; V120-Y123 PolarHBondContact O-N 3.02Å; N121-Y123 VanDerWaalsContact C-N 3.33Å; N121-Y123 PolarHBondContact O-N 2.98Å; Y123-Q126 PolarHBondContact O-N 3.1Å; Y123-R127 WeakPolarHBondContact O-CB 3.37Å; Y123-R127 PolarHBondContact O-N 3.48Å |
| 124 | L | 85.2 | Confident | 77.2 | Confident | 73 Ų | 73 | 105 Ų | 105 | 38% | 0.382 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.4 | -41.4 | 177 | -73.2 | 173.8 | 0 | 0 | 0 | 112.2 | V120 N121 R127 R128 | V120-L124 HydrophobicContact CG1-CD1 4.11Å; V120-L124 VanDerWaalsContact O-CG 3.32Å; V120-L124 WeakPolarHBondContact O-CG 3.27Å; V120-L124 PolarHBondContact O-N 3.02Å; N121-L124 PolarHBondContact O-N 2.65Å; L124-R127 PolarHBondContact O-N 2.95Å; L124-R128 WeakPolarHBondContact O-CG 3.48Å; L124-R128 PolarHBondContact O-N 3.49Å |
| 125 | E | 84.6 | Confident | 77.3 | Confident | 91 Ų | 91 | 104.8 Ų | 104.8 | 43% | 0.425 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.3 | -43.8 | 174.4 | -75.9 | -56.1 | 137.2 | 0 | 0 | 111.8 | N121 A122 R127 R128 A129 | N121-E125 WeakPolarHBondContact O-CB 3.48Å; N121-E125 WeakPolarHBondContact O-CG 3.07Å; N121-E125 PolarHBondContact O-N 2.74Å; A122-E125 PolarHBondContact O-N 3.03Å; E125-R127 VanDerWaalsContact C-N 3.26Å; E125-R127 PolarHBondContact O-N 3.33Å; E125-R128 WeakPolarHBondContact O-CB 3.47Å; E125-R128 PolarHBondContact O-N 2.98Å; E125-R128 VanDerWaalsContact O-N 3.07Å; E125-R128 IonicContact OE1-CZ 3.74Å; E125-R128 IonicContact OE1-NH1 2.68Å; E125-R128 PolarHBondContact OE1-NH1 2.92Å; E125-A129 PolarHBondContact O-N 2.78Å |
| 126 | Q | 82.2 | Confident | 76.8 | Confident | 100 Ų | 100 | 106 Ų | 106 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.6 | -38.8 | 174.3 | -171.3 | -179.9 | 16.5 | 0 | 0 | 111.8 | A122 Y123 R130 | A122-Q126 WeakPolarHBondContact O-CB 3.34Å; A122-Q126 PolarHBondContact O-N 3.19Å; Y123-Q126 PolarHBondContact O-N 3.1Å; Q126-R130 WeakPolarHBondContact O-CG 3.26Å; Q126-R130 PolarHBondContact O-N 3.43Å |
| 127 | R | 80 | Confident | 76.2 | Confident | 129 Ų | 129 | 106.3 Ų | 106.3 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.1 | -30.1 | 176.7 | -169.3 | 175.9 | 179 | -180 | 1.4 | 112.7 | Y123 L124 E125 R131 | Y123-R127 WeakPolarHBondContact O-CB 3.37Å; Y123-R127 PolarHBondContact O-N 3.48Å; L124-R127 PolarHBondContact O-N 2.95Å; E125-R127 VanDerWaalsContact C-N 3.26Å; E125-R127 PolarHBondContact O-N 3.33Å; R127-R131 PolarHBondContact O-N 3.23Å |
| 128 | R | 84.9 | Confident | 75.1 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 50% | 0.502 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71.6 | -47 | 172.8 | -73.4 | 174.4 | -177.5 | 163.1 | -0.5 | 110.9 | L124 E125 R130 R131 Q132 | L124-R128 WeakPolarHBondContact O-CG 3.48Å; L124-R128 PolarHBondContact O-N 3.49Å; E125-R128 WeakPolarHBondContact O-CB 3.47Å; E125-R128 PolarHBondContact O-N 2.98Å; E125-R128 VanDerWaalsContact O-N 3.07Å; E125-R128 IonicContact OE1-CZ 3.74Å; E125-R128 IonicContact OE1-NH1 2.68Å; E125-R128 PolarHBondContact OE1-NH1 2.92Å; R128-R130 PolarHBondContact O-N 3.35Å; R128-R131 PolarHBondContact O-N 2.97Å; R128-R131 VanDerWaalsContact O-N 3.12Å; R128-Q132 PolarHBondContact O-N 3.45Å |
| 129 | A | 76.6 | Confident | 74 | Confident | 55 Ų | 55 | 107.2 Ų | 107.2 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.2 | -43.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | E125 R131 Q132 S133 | E125-A129 PolarHBondContact O-N 2.78Å; A129-R131 VanDerWaalsContact C-N 3.32Å; A129-R131 PolarHBondContact O-N 3.43Å; A129-Q132 PolarHBondContact O-N 3.12Å; A129-S133 WeakPolarHBondContact O-CB 3.27Å; A129-S133 PolarHBondContact O-N 3.42Å |
| 130 | R | 76.8 | Confident | 72.7 | Confident | 161 Ų | 161 | 107.1 Ų | 107.1 | 61% | 0.608 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.6 | -38.1 | 175.2 | -73.3 | -178.1 | -168.3 | -161.1 | 6.1 | 113 | Q126 R128 Q134 | Q126-R130 WeakPolarHBondContact O-CG 3.26Å; Q126-R130 PolarHBondContact O-N 3.43Å; R128-R130 PolarHBondContact O-N 3.35Å; R130-Q134 PolarHBondContact O-N 3.03Å |
| 131 | R | 72.9 | Confident | 71.1 | Confident | 148 Ų | 148 | 107.9 Ų | 107.9 | 56% | 0.558 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.4 | -39.4 | 177.3 | -79.8 | -167.4 | -96.7 | -161.7 | -1.6 | 112.3 | R127 R128 A129 S133 Q134 F135 | R127-R131 PolarHBondContact O-N 3.23Å; R128-R131 PolarHBondContact O-N 2.97Å; R128-R131 VanDerWaalsContact O-N 3.12Å; A129-R131 VanDerWaalsContact C-N 3.32Å; A129-R131 PolarHBondContact O-N 3.43Å; R131-S133 VanDerWaalsContact C-N 3.35Å; R131-Q134 PolarHBondContact O-N 3.48Å; R131-F135 PolarHBondContact O-N 3.08Å; R131-F135 VanDerWaalsContact O-N 3.08Å |
| 132 | Q | 70.1 | Confident | 69.4 | Low | 132 Ų | 132 | 110.3 Ų | 110.3 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.6 | -37.8 | 174.4 | -72.9 | 178.1 | -22.1 | 0 | 0 | 111.9 | R128 A129 F135 N136 | R128-Q132 PolarHBondContact O-N 3.45Å; A129-Q132 PolarHBondContact O-N 3.12Å; Q132-F135 PolarHBondContact O-N 3.4Å; Q132-N136 PolarHBondContact O-N 3.07Å |
| 133 | S | 70.3 | Confident | 67.6 | Low | 70 Ų | 70 | 117.6 Ų | 117.6 | 49% | 0.49 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.9 | -170.9 | 0 | 0 | 0 | 0 | 112 | A129 R131 F135 N136 E137 | A129-S133 WeakPolarHBondContact O-CB 3.27Å; A129-S133 PolarHBondContact O-N 3.42Å; R131-S133 VanDerWaalsContact C-N 3.35Å; S133-F135 VanDerWaalsContact C-N 3.27Å; S133-F135 PolarHBondContact O-N 3.41Å; S133-N136 PolarHBondContact O-N 2.97Å; S133-E137 WeakPolarHBondContact O-CB 3.48Å; S133-E137 PolarHBondContact O-N 3.3Å |
| 134 | Q | 65.7 | Low | 65.4 | Low | 136 Ų | 136 | 116.2 Ų | 116.2 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 176.6 | -82.6 | -168.9 | 1.7 | 0 | 0 | 112.3 | R130 R131 V138 | R130-Q134 PolarHBondContact O-N 3.03Å; R131-Q134 PolarHBondContact O-N 3.48Å; Q134-V138 VanDerWaalsContact O-CG2 3.27Å; Q134-V138 WeakPolarHBondContact O-CG2 3.43Å; Q134-V138 PolarHBondContact O-N 3.01Å; Q134-V138 VanDerWaalsContact O-N 3.07Å |
| 135 | F | 64.9 | Low | 63.5 | Low | 139 Ų | 139 | 117.2 Ų | 117.2 | 61% | 0.61 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69.1 | -36 | 177.5 | -164.7 | -103.3 | 0 | 0 | 0 | 112.3 | R131 Q132 S133 N139 | R131-F135 PolarHBondContact O-N 3.08Å; R131-F135 VanDerWaalsContact O-N 3.08Å; Q132-F135 PolarHBondContact O-N 3.4Å; S133-F135 VanDerWaalsContact C-N 3.27Å; S133-F135 PolarHBondContact O-N 3.41Å; F135-N139 VanDerWaalsContact CD1-ND2 3.28Å; F135-N139 WeakPolarHBondContact CD1-ND2 3.35Å; F135-N139 WeakPolarHBondContact CE1-ND2 3.39Å; F135-N139 PolarHBondContact O-N 2.96Å; F135-N139 VanDerWaalsContact O-N 3.13Å; F135-N139 PolarHBondContact O-ND2 2.92Å |
| 136 | N | 58.1 | Low | 61.7 | Low | 99 Ų | 99 | 120 Ų | 120 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -71.6 | -37.8 | 175.5 | -76.3 | -18.9 | 0 | 0 | 0 | 112.5 | Q132 S133 N139 Q140 | Q132-N136 PolarHBondContact O-N 3.07Å; S133-N136 PolarHBondContact O-N 2.97Å; N136-N139 PolarHBondContact O-N 3.45Å; N136-Q140 PolarHBondContact O-N 2.88Å |
| 137 | E | 58.3 | Low | 59.9 | Low | 115 Ų | 115 | 120.6 Ų | 120.6 | 54% | 0.537 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.8 | -40.8 | 174.9 | -170 | -178.5 | 147.8 | 0 | 0 | 111.6 | S133 Q140 N141 | S133-E137 WeakPolarHBondContact O-CB 3.48Å; S133-E137 PolarHBondContact O-N 3.3Å; E137-Q140 PolarHBondContact O-N 2.84Å; E137-N141 PolarHBondContact O-N 2.99Å; E137-N141 VanDerWaalsContact O-N 3.17Å; E137-N141 PolarHBondContact O-ND2 3.25Å |
| 138 | V | 54.9 | Low | 58 | Low | 90 Ų | 90 | 121 Ų | 121 | 55% | 0.545 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.2 | -37 | 175 | 170.2 | 0 | 0 | 0 | 0 | 112 | Q134 Q142 | Q134-V138 VanDerWaalsContact O-CG2 3.27Å; Q134-V138 WeakPolarHBondContact O-CG2 3.43Å; Q134-V138 PolarHBondContact O-N 3.01Å; Q134-V138 VanDerWaalsContact O-N 3.07Å; V138-Q142 PolarHBondContact O-N 3.04Å |
| 139 | N | 54.4 | Low | 55.8 | Low | 68 Ų | 68 | 123.4 Ų | 123.4 | 36% | 0.364 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -74.3 | -30.6 | 176.9 | -78.1 | -57 | 0 | 0 | 0 | 113.6 | F135 N136 Q142 R143 | F135-N139 VanDerWaalsContact CD1-ND2 3.28Å; F135-N139 WeakPolarHBondContact CD1-ND2 3.35Å; F135-N139 WeakPolarHBondContact CE1-ND2 3.39Å; F135-N139 PolarHBondContact O-N 2.96Å; F135-N139 VanDerWaalsContact O-N 3.13Å; F135-N139 PolarHBondContact O-ND2 2.92Å; N136-N139 PolarHBondContact O-N 3.45Å; N139-Q142 PolarHBondContact O-N 3.13Å; N139-R143 PolarHBondContact O-N 3.36Å |
| 140 | Q | 53.4 | Low | 54 | Low | 130 Ų | 130 | 126.5 Ų | 126.5 | 61% | 0.607 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68 | -45.4 | 173.8 | -78.8 | -174.9 | 6.4 | 0 | 0 | 111.4 | N136 E137 Q142 R143 D144 | N136-Q140 PolarHBondContact O-N 2.88Å; E137-Q140 PolarHBondContact O-N 2.84Å; Q140-Q142 PolarHBondContact O-N 3.34Å; Q140-R143 PolarHBondContact O-N 2.89Å; Q140-D144 PolarHBondContact O-N 3.19Å; Q140-D144 VanDerWaalsContact O-N 3.15Å |
| 141 | N | 48.8 | Very low | 52.6 | Low | 103 Ų | 103 | 122.4 Ų | 122.4 | 55% | 0.551 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -61.3 | -20.5 | 176.2 | -71.9 | -49.1 | 0 | 0 | 0 | 113.8 | E137 S145 | E137-N141 PolarHBondContact O-N 2.99Å; E137-N141 VanDerWaalsContact O-N 3.17Å; E137-N141 PolarHBondContact O-ND2 3.25Å; N141-S145 PolarHBondContact O-OG 3.12Å |
| 142 | Q | 47.7 | Very low | 50.9 | Low | 142 Ų | 142 | 120.8 Ų | 120.8 | 66% | 0.664 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -88.4 | -18.9 | 175.9 | -162.7 | 164.1 | 5.2 | 0 | 0 | 113.3 | V138 N139 Q140 | V138-Q142 PolarHBondContact O-N 3.04Å; N139-Q142 PolarHBondContact O-N 3.13Å; Q140-Q142 PolarHBondContact O-N 3.34Å |
| 143 | R | 44.3 | Very low | 49.8 | Very low | 213 Ų | 213 | 123 Ų | 123 | 80% | 0.804 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -92.2 | -25.5 | 178.5 | -128.5 | -178.1 | -163.4 | 166.4 | 4.2 | 113.3 | N139 Q140 S145 | N139-R143 PolarHBondContact O-N 3.36Å; Q140-R143 PolarHBondContact O-N 2.89Å; R143-S145 VanDerWaalsContact C-N 3.28Å; R143-S145 PolarHBondContact O-N 3.31Å |
| 144 | D | 40 | Very low | 48.3 | Very low | 113 Ų | 113 | 126.4 Ų | 126.4 | 60% | 0.604 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 1.3 | -177.9 | -62.4 | -25.8 | 0 | 0 | 0 | 113.6 | Q140 | Q140-D144 PolarHBondContact O-N 3.19Å; Q140-D144 VanDerWaalsContact O-N 3.15Å |
| 145 | S | 45 | Very low | 46.9 | Very low | 95 Ų | 95 | 125.8 Ų | 125.8 | 66% | 0.664 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -2.9 | 179 | -65.1 | 0 | 0 | 0 | 0 | 115 | N141 R143 | N141-S145 PolarHBondContact O-OG 3.12Å; R143-S145 VanDerWaalsContact C-N 3.28Å; R143-S145 PolarHBondContact O-N 3.31Å |
| 146 | D | 46.2 | Very low | 45.8 | Very low | 149 Ų | 149 | 125.5 Ų | 125.5 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -118.3 | 27.2 | -176.7 | -77.3 | -25.1 | 0 | 0 | 0 | 114.2 | ||
| 147 | T | 44 | Very low | 44.9 | Very low | 112 Ų | 112 | 126.4 Ų | 126.4 | 69% | 0.687 | 71% | 0.705 | S | S | * | * | trans | -131.5 | 77.9 | 174.3 | 8.5 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 148 | T | 41.3 | Very low | 43.9 | Very low | 139 Ų | 139 | 129.9 Ų | 129.9 | 85% | 0.853 | 72% | 0.721 | S | S | * | * | trans | -101.9 | 88.4 | 149.5 | 31.5 | 0 | 0 | 0 | 0 | 108.5 | C150 | T148-C150 PolarHBondContact O-N 3.09Š| ||
| 149 | E | 37.3 | Very low | 43.4 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 86% | 0.855 | 73% | 0.734 | S | S | * | * | trans | -67.3 | 93.4 | 162.8 | -175.5 | -179.1 | -175.3 | 0 | 0 | 108.1 | G151 | E149-G151 PolarHBondContact O-N 3.02Š| ||
| 150 | C | 38.9 | Very low | 42.7 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 80% | 0.804 | 76% | 0.755 | S | S | * | * | trans | -83.7 | 101.3 | 157.1 | -82.5 | 0 | 0 | 0 | 0 | 107.3 | T148 S152 | T148-C150 PolarHBondContact O-N 3.09Å; C150-S152 PolarHBondContact O-N 2.07Å; C150-S152 VanDerWaalsContact O-N 3.16Å | ||
| 151 | G | 47.7 | Very low | 42.1 | Very low | 76 Ų | 76 | 130.9 Ų | 130.9 | 78% | 0.784 | 76% | 0.758 | S | S | * | * | trans | -60.3 | 111.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 109 | E149 | E149-G151 PolarHBondContact O-N 3.02Š| ||
| 152 | S | 37.1 | Very low | 41.7 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 79% | 0.79 | 78% | 0.779 | S | S | * | * | trans | -128.7 | 103.1 | 161.6 | -166.4 | 0 | 0 | 0 | 0 | 106.8 | C150 | C150-S152 PolarHBondContact O-N 2.07Å; C150-S152 VanDerWaalsContact O-N 3.16Å | ||
| 153 | E | 46.5 | Very low | 41.2 | Very low | 179 Ų | 179 | 139.8 Ų | 139.8 | 84% | 0.836 | 78% | 0.783 | S | S | * | * | trans | -54 | 140.3 | 167.4 | 56.5 | -157.1 | 122.7 | 0 | 0 | 112.2 | ||||
| 154 | E | 40.8 | Very low | 41.3 | Very low | 142 Ų | 142 | 138.7 Ų | 138.7 | 66% | 0.664 | 79% | 0.786 | S | S | * | * | trans | 55.8 | 103.1 | 149.8 | -154.4 | 80.4 | -124.4 | 0 | 0 | 118.6 | N156 | E154-N156 PolarHBondContact OE1-ND2 2.94Š| ||
| 155 | S | 34.2 | Very low | 41.2 | Very low | 122 Ų | 122 | 138.1 Ų | 138.1 | 85% | 0.853 | 79% | 0.792 | S | S | * | * | trans | -161.2 | 101.4 | 131.3 | -85.1 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 156 | N | 43.1 | Very low | 41.1 | Very low | 133 Ų | 133 | 142.4 Ų | 142.4 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | -60.1 | 129 | 166.2 | -55.5 | -62 | 0 | 0 | 0 | 110 | E154 | E154-N156 PolarHBondContact OE1-ND2 2.94Š| ||
| 157 | S | 39.5 | Very low | 40.7 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 79% | 0.793 | S | S | * | * | trans | -146.1 | 102.5 | 151.4 | -74.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 158 | E | 37.7 | Very low | 40.9 | Very low | 187 Ų | 187 | 142.6 Ų | 142.6 | 87% | 0.874 | 80% | 0.799 | S | S | * | * | trans | -17.2 | 128.5 | 164.9 | -77.5 | 166.8 | 116.3 | 0 | 0 | 117.3 | ||||
| 159 | A | 44.1 | Very low | 40.9 | Very low | 98 Ų | 98 | 144 Ų | 144 | 81% | 0.81 | 80% | 0.795 | S | S | * | * | 35.9 | 111.9 | 124.5 | 0 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 160 | S | 39.5 | Very low | 41.4 | Very low | 117 Ų | 117 | 144.1 Ų | 144.1 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | -147.7 | 98.9 | 140.9 | 54.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 161 | S | 41.2 | Very low | 41.7 | Very low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | 37.7 | 102.9 | 136 | -164 | 0 | 0 | 0 | 0 | 118.2 | K163 | S161-K163 VanDerWaalsContact C-N 3.27Å; S161-K163 PolarHBondContact O-N 3.05Å | ||
| 162 | W | 39.8 | Very low | 41.8 | Very low | 261 Ų | 261 | 142.3 Ų | 142.3 | 99% | 0.989 | 77% | 0.771 | S | S | * | * | trans | -63.1 | 91.9 | 152.5 | -71.2 | 79.3 | 0 | 0 | 0 | 108.5 | ||||
| 163 | K | 37.9 | Very low | 42.7 | Very low | 172 Ų | 172 | 141.6 Ų | 141.6 | 75% | 0.748 | 76% | 0.763 | S | S | * | * | trans | -91.2 | 98 | 167.3 | -97.5 | -94.6 | 178.7 | -173.2 | 0 | 107.9 | S161 S165 | S161-K163 VanDerWaalsContact C-N 3.27Å; S161-K163 PolarHBondContact O-N 3.05Å; K163-S165 PolarHBondContact O-N 3.37Å | ||
| 164 | E | 44.6 | Very low | 42.9 | Very low | 189 Ų | 189 | 138.4 Ų | 138.4 | 88% | 0.883 | 75% | 0.752 | S | S | * | * | trans | -47.3 | 118.2 | 151.4 | -80 | 169.9 | 128.1 | 0 | 0 | 108.3 | ||||
| 165 | S | 37.9 | Very low | 43.5 | Very low | 102 Ų | 102 | 134.7 Ų | 134.7 | 71% | 0.713 | 74% | 0.741 | S | S | * | * | trans | -108.9 | 85.2 | 164.3 | -61.9 | 0 | 0 | 0 | 0 | 107 | K163 S167 | K163-S165 PolarHBondContact O-N 3.37Å; S165-S167 PolarHBondContact O-N 2.97Å; S165-S167 VanDerWaalsContact O-N 3.09Å | ||
| 166 | E | 44.7 | Very low | 44.5 | Very low | 184 Ų | 184 | 133.1 Ų | 133.1 | 86% | 0.86 | 72% | 0.723 | S | S | * | * | trans | -54.3 | 104.3 | 155.1 | -172.7 | 173 | 177.9 | 0 | 0 | 107.3 | ||||
| 167 | S | 37.5 | Very low | 45.1 | Very low | 89 Ų | 89 | 132.9 Ų | 132.9 | 62% | 0.622 | 72% | 0.715 | S | S | * | * | trans | -130 | 103.5 | 163.3 | 54.2 | 0 | 0 | 0 | 0 | 107.6 | S165 H169 | S165-S167 PolarHBondContact O-N 2.97Å; S165-S167 VanDerWaalsContact O-N 3.09Å; S167-H169 VanDerWaalsContact C-N 3.26Å; S167-H169 PolarHBondContact O-N 3.47Å | ||
| 168 | E | 47.5 | Very low | 45.8 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | -59.4 | 90.1 | 164.1 | -68.5 | 176.2 | 128.2 | 0 | 0 | 108.6 | ||||
| 169 | H | 42.5 | Very low | 46.8 | Very low | 167 Ų | 167 | 137.6 Ų | 137.6 | 77% | 0.773 | 71% | 0.707 | S | S | * | * | trans | -122.9 | 106.9 | 166.9 | -85.2 | -12 | 0 | 0 | 0 | 109.4 | S167 | S167-H169 VanDerWaalsContact C-N 3.26Å; S167-H169 PolarHBondContact O-N 3.47Å | ||
| 170 | H | 46.4 | Very low | 47.3 | Very low | 186 Ų | 186 | 139.6 Ų | 139.6 | 86% | 0.861 | 70% | 0.697 | S | S | * | * | trans | -36.8 | 128.7 | 164.6 | -91.2 | -89.1 | 0 | 0 | 0 | 110.6 | S172 | H170-S172 PolarHBondContact O-N 3.09Š| ||
| 171 | P | 45.3 | Very low | 48.1 | Very low | 90 Ų | 90 | 139.6 Ų | 139.6 | 58% | 0.584 | 69% | 0.686 | S | S | * | * | trans | -67.8 | 105.8 | 176.8 | 26.1 | -30.9 | 0 | 0 | 0 | 108.7 | I176 | P171-I176 HydrophobicContact CB-CD1 4.27Å; P171-I176 HydrophobicContact CB-CG1 4.4Å | ||
| 172 | S | 49.8 | Very low | 48.6 | Very low | 68 Ų | 68 | 138 Ų | 138 | 48% | 0.476 | 68% | 0.678 | S | S | . | * | trans | -54.9 | 134.6 | 170.9 | 172.5 | 0 | 0 | 0 | 0 | 109.7 | H170 D174 S175 | H170-S172 PolarHBondContact O-N 3.09Å; S172-D174 PolarHBondContact O-N 3.49Å; S172-S175 PolarHBondContact O-N 3Å; S172-S175 PolarHBondContact O-OG 3.07Å | ||
| 173 | P | 56.6 | Low | 49.3 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 63% | 0.63 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -58 | -20.6 | -172.5 | 18.4 | -29.9 | 0 | 0 | 0 | 114.4 | K177 | P173-K177 PolarHBondContact O-N 2.69Å |
| 174 | D | 49.6 | Very low | 50 | Low | 113 Ų | 113 | 131.9 Ų | 131.9 | 60% | 0.604 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -74.8 | -30.6 | 176.9 | -76.9 | -30.4 | 0 | 0 | 0 | 113.8 | S172 I176 K177 R178 | S172-D174 PolarHBondContact O-N 3.49Å; D174-I176 VanDerWaalsContact C-N 3.33Å; D174-K177 PolarHBondContact O-N 3.14Å; D174-R178 PolarHBondContact O-N 2.67Å |
| 175 | S | 54.2 | Low | 50.3 | Low | 63 Ų | 63 | 130.4 Ų | 130.4 | 44% | 0.441 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69 | -35.1 | 174.9 | 70.3 | 0 | 0 | 0 | 0 | 111.7 | S172 R178 R179 | S172-S175 PolarHBondContact O-N 3Å; S172-S175 PolarHBondContact O-OG 3.07Å; S175-R178 PolarHBondContact O-N 3.45Å; S175-R179 PolarHBondContact O-N 2.9Å |
| 176 | I | 56.1 | Low | 51 | Low | 90 Ų | 90 | 135.7 Ų | 135.7 | 46% | 0.462 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -66.5 | -40.9 | 174.2 | -59.7 | 173.5 | 0 | 0 | 0 | 109.5 | P171 D174 R179 K180 | P171-I176 HydrophobicContact CB-CD1 4.27Å; P171-I176 HydrophobicContact CB-CG1 4.4Å; D174-I176 VanDerWaalsContact C-N 3.33Å; I176-R179 PolarHBondContact O-N 2.99Å; I176-K180 VanDerWaalsContact O-CB 3.22Å; I176-K180 WeakPolarHBondContact O-CB 3.28Å; I176-K180 PolarHBondContact O-N 3.41Å |
| 177 | K | 54.3 | Low | 51.1 | Low | 128 Ų | 128 | 131.4 Ų | 131.4 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -64.6 | -43.6 | 177 | -127.6 | 179.3 | -177.1 | 179.6 | 0 | 112.1 | P173 D174 K180 M181 | P173-K177 PolarHBondContact O-N 2.69Å; D174-K177 PolarHBondContact O-N 3.14Å; K177-K180 PolarHBondContact O-N 2.99Å; K177-M181 HydrophobicContact CG-CE 4.35Å; K177-M181 WeakPolarHBondContact O-CG 3.45Å; K177-M181 PolarHBondContact O-N 2.85Å |
| 178 | R | 55.5 | Low | 51.6 | Low | 208 Ų | 208 | 133.4 Ų | 133.4 | 79% | 0.785 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -62.9 | -44.8 | 174.8 | -95.1 | -171.9 | -175.7 | 177.2 | 2.9 | 112.6 | D174 S175 K180 M181 A182 | D174-R178 PolarHBondContact O-N 2.67Å; S175-R178 PolarHBondContact O-N 3.45Å; R178-K180 VanDerWaalsContact C-N 3.32Å; R178-K180 PolarHBondContact O-N 3.44Å; R178-M181 PolarHBondContact O-N 3.07Å; R178-A182 WeakPolarHBondContact O-CB 3.18Å; R178-A182 PolarHBondContact O-N 3.29Å |
| 179 | R | 57.4 | Low | 51.2 | Low | 196 Ų | 196 | 128.2 Ų | 128.2 | 74% | 0.74 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -63.2 | -39.2 | 176 | -169.4 | -178.5 | -73.8 | 171.4 | -2.9 | 111.5 | S175 I176 A182 Q183 | S175-R179 PolarHBondContact O-N 2.9Å; I176-R179 PolarHBondContact O-N 2.99Å; R179-A182 PolarHBondContact O-N 3.05Å; R179-Q183 VanDerWaalsContact O-CB 3.27Å; R179-Q183 WeakPolarHBondContact O-CB 3.14Å; R179-Q183 PolarHBondContact O-N 3.21Å |
| 180 | K | 54.6 | Low | 51.3 | Low | 141 Ų | 141 | 123.4 Ų | 123.4 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.2 | -31.6 | 178.7 | -157.4 | 173 | -172.3 | 178.6 | 0 | 113 | I176 K177 R178 R184 | I176-K180 VanDerWaalsContact O-CB 3.22Å; I176-K180 WeakPolarHBondContact O-CB 3.28Å; I176-K180 PolarHBondContact O-N 3.41Å; K177-K180 PolarHBondContact O-N 2.99Å; R178-K180 VanDerWaalsContact C-N 3.32Å; R178-K180 PolarHBondContact O-N 3.44Å; K180-R184 WeakPolarHBondContact O-CB 3.37Å; K180-R184 PolarHBondContact O-N 3.26Å |
| 181 | M | 56.2 | Low | 51.1 | Low | 117 Ų | 117 | 124.2 Ų | 124.2 | 58% | 0.576 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -75 | -42.2 | 172.8 | -70.9 | -173.7 | -167.1 | 0 | 0 | 112.4 | K177 R178 Q183 R184 Q185 | K177-M181 HydrophobicContact CG-CE 4.35Å; K177-M181 WeakPolarHBondContact O-CG 3.45Å; K177-M181 PolarHBondContact O-N 2.85Å; R178-M181 PolarHBondContact O-N 3.07Å; M181-Q183 VanDerWaalsContact C-N 3.31Å; M181-Q183 PolarHBondContact O-N 3.48Å; M181-R184 PolarHBondContact O-N 3.07Å; M181-Q185 PolarHBondContact O-N 3.27Å |
| 182 | A | 52.1 | Low | 51.3 | Low | 60 Ų | 60 | 128.3 Ų | 128.3 | 50% | 0.496 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -64 | -36.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | R178 R179 Q185 R186 | R178-A182 WeakPolarHBondContact O-CB 3.18Å; R178-A182 PolarHBondContact O-N 3.29Å; R179-A182 PolarHBondContact O-N 3.05Å; A182-Q185 PolarHBondContact O-N 2.92Å; A182-R186 PolarHBondContact O-N 2.95Å; A182-R186 VanDerWaalsContact O-N 3.07Å |
| 183 | Q | 55.4 | Low | 51 | Low | 117 Ų | 117 | 133 Ų | 133 | 55% | 0.547 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -68.5 | -38.5 | 172.5 | -172.1 | 174 | -1.8 | 0 | 0 | 112 | R179 M181 R186 N187 | R179-Q183 VanDerWaalsContact O-CB 3.27Å; R179-Q183 WeakPolarHBondContact O-CB 3.14Å; R179-Q183 PolarHBondContact O-N 3.21Å; M181-Q183 VanDerWaalsContact C-N 3.31Å; M181-Q183 PolarHBondContact O-N 3.48Å; Q183-R186 PolarHBondContact O-N 3.4Å; Q183-N187 PolarHBondContact O-N 3.3Å; Q183-N187 VanDerWaalsContact O-N 3.1Å; Q183-N187 PolarHBondContact O-ND2 3.17Å |
| 184 | R | 51.8 | Low | 50.9 | Low | 188 Ų | 188 | 134 Ų | 134 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -65.8 | -37.5 | 173.4 | -98.5 | -174 | 174.8 | -167.2 | -1.9 | 112.6 | K180 M181 N187 L188 | K180-R184 WeakPolarHBondContact O-CB 3.37Å; K180-R184 PolarHBondContact O-N 3.26Å; M181-R184 PolarHBondContact O-N 3.07Å; R184-N187 PolarHBondContact O-N 3.35Å; R184-L188 WeakPolarHBondContact O-CD1 3.39Å; R184-L188 PolarHBondContact O-N 3.15Å |
| 185 | Q | 52 | Low | 51.1 | Low | 157 Ų | 157 | 132.6 Ų | 132.6 | 73% | 0.734 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -68.3 | -36.6 | 174.9 | -81.2 | -158.4 | -38.4 | 0 | 0 | 112.9 | M181 A182 N187 L188 G189 | M181-Q185 PolarHBondContact O-N 3.27Å; A182-Q185 PolarHBondContact O-N 2.92Å; Q185-N187 VanDerWaalsContact C-N 3.31Å; Q185-N187 PolarHBondContact O-N 3.07Å; Q185-L188 PolarHBondContact O-N 3.43Å; Q185-G189 PolarHBondContact O-N 2.94Å |
| 186 | R | 51.8 | Low | 51 | Low | 213 Ų | 213 | 140.3 Ų | 140.3 | 80% | 0.804 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -62.5 | -35.8 | 169.9 | -90 | -174.1 | -176 | 156 | 2.2 | 113.1 | A182 Q183 S190 | A182-R186 PolarHBondContact O-N 2.95Å; A182-R186 VanDerWaalsContact O-N 3.07Å; Q183-R186 PolarHBondContact O-N 3.4Å; R186-S190 WeakPolarHBondContact O-CB 3.41Å; R186-S190 PolarHBondContact O-N 2.89Å; R186-S190 PolarHBondContact O-OG 3.43Å |
| 187 | N | 47.5 | Very low | 51.1 | Low | 94 Ų | 94 | 142.2 Ų | 142.2 | 50% | 0.503 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -79.8 | -21 | 178.8 | -76 | -72.6 | 0 | 0 | 0 | 114 | Q183 R184 Q185 S190 | Q183-N187 PolarHBondContact O-N 3.3Å; Q183-N187 VanDerWaalsContact O-N 3.1Å; Q183-N187 PolarHBondContact O-ND2 3.17Å; R184-N187 PolarHBondContact O-N 3.35Å; Q185-N187 VanDerWaalsContact C-N 3.31Å; Q185-N187 PolarHBondContact O-N 3.07Å; N187-S190 PolarHBondContact O-OG 3.44Å |
| 188 | L | 46.3 | Very low | 52.1 | Low | 131 Ų | 131 | 138.3 Ų | 138.3 | 69% | 0.686 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -82.3 | -28.2 | 173.9 | -101.8 | 76.6 | 0 | 0 | 0 | 112.6 | R184 Q185 | R184-L188 WeakPolarHBondContact O-CD1 3.39Å; R184-L188 PolarHBondContact O-N 3.15Å; Q185-L188 PolarHBondContact O-N 3.43Å |
| 189 | G | 40.8 | Very low | 52.6 | Low | 69 Ų | 69 | 135.7 Ų | 135.7 | 71% | 0.711 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -86.7 | -6.8 | 173.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q185 | Q185-G189 PolarHBondContact O-N 2.94Š|
| 190 | S | 43.2 | Very low | 53.1 | Low | 65 Ų | 65 | 131.5 Ų | 131.5 | 46% | 0.455 | 65% | 0.645 | S | S | . | * | trans | -102.3 | 31 | 178.5 | 75.2 | 0 | 0 | 0 | 0 | 113.2 | R186 N187 Q192 | R186-S190 WeakPolarHBondContact O-CB 3.41Å; R186-S190 PolarHBondContact O-N 2.89Å; R186-S190 PolarHBondContact O-OG 3.43Å; N187-S190 PolarHBondContact O-OG 3.44Å; S190-Q192 PolarHBondContact O-N 2.73Å | ||
| 191 | Y | 42 | Very low | 54.1 | Low | 204 Ų | 204 | 126.4 Ų | 126.4 | 80% | 0.8 | 63% | 0.627 | S | S | * | * | trans | -73 | 34.7 | 151.3 | -82.7 | -85.3 | 0 | 0 | 0 | 110.6 | M193 | Y191-M193 VanDerWaalsContact C-N 3.28Å; Y191-M193 PolarHBondContact O-N 2.75Å; Y191-M193 VanDerWaalsContact O-N 3.09Å | ||
| 192 | Q | 49.5 | Very low | 55.1 | Low | 176 Ų | 176 | 127.2 Ų | 127.2 | 82% | 0.822 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -72 | 102.1 | 153.1 | -159.5 | 174.1 | 30.3 | 0 | 0 | 103.4 | S190 S194 | S190-Q192 PolarHBondContact O-N 2.73Å; Q192-S194 PolarHBondContact O-N 3.17Å |
| 193 | M | 45.1 | Very low | 56.3 | Low | 167 Ų | 167 | 126.8 Ų | 126.8 | 82% | 0.823 | 62% | 0.624 | S | S | * | * | trans | -33.9 | 117.4 | 178.4 | -74.7 | 111.4 | 172.7 | 0 | 0 | 108.8 | Y191 E195 | Y191-M193 VanDerWaalsContact C-N 3.28Å; Y191-M193 PolarHBondContact O-N 2.75Å; Y191-M193 VanDerWaalsContact O-N 3.09Å; M193-E195 PolarHBondContact O-N 3.2Å | ||
| 194 | S | 52.8 | Low | 57.3 | Low | 116 Ų | 116 | 125.4 Ų | 125.4 | 81% | 0.811 | 62% | 0.618 | S | S | * | * | trans | -65.5 | 71.4 | 152.5 | 177.8 | 0 | 0 | 0 | 0 | 105.2 | Q192 R196 | Q192-S194 PolarHBondContact O-N 3.17Å; S194-R196 VanDerWaalsContact C-N 3.31Å; S194-R196 PolarHBondContact O-N 3.45Å | ||
| 195 | E | 53.6 | Low | 58.3 | Low | 84 Ų | 84 | 122.1 Ų | 122.1 | 39% | 0.393 | 61% | 0.606 | S | S | . | * | trans | -53.3 | 107.9 | 162.4 | -173.6 | 177.4 | -156.4 | 0 | 0 | 102.7 | M193 H197 R205 | M193-E195 PolarHBondContact O-N 3.2Å; E195-H197 PolarHBondContact O-CD2 3.01Å; E195-H197 PolarHBondContact O-N 2.86Å; E195-R205 IonicContact OE2-CZ 3.68Å; E195-R205 IonicContact OE2-NH1 3.83Å; E195-R205 IonicContact OE2-NH2 2.67Å; E195-R205 PolarHBondContact OE2-NH2 3.11Å | ||
| 196 | R | 53.8 | Low | 59.6 | Low | 226 Ų | 226 | 118 Ų | 118 | 85% | 0.853 | 59% | 0.592 | S | S | * | * | trans | -55.2 | 104.1 | 173 | -76.2 | -174.6 | 176.9 | -172.9 | 0.2 | 104.3 | S194 C198 | S194-R196 VanDerWaalsContact C-N 3.31Å; S194-R196 PolarHBondContact O-N 3.45Å; R196-C198 PolarHBondContact O-N 3.21Å | ||
| 197 | H | 57 | Low | 60.6 | Low | 130 Ų | 130 | 112.7 Ų | 112.7 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | trans | -64.5 | 86.7 | -174.8 | -67.2 | 133.4 | 0 | 0 | 0 | 108 | E195 | E195-H197 PolarHBondContact O-CD2 3.01Å; E195-H197 PolarHBondContact O-N 2.86Å | ||
| 198 | C | 74.9 | Confident | 62.1 | Low | 46 Ų | 46 | 113.3 Ų | 113.3 | 31% | 0.311 | 58% | 0.579 | S | S | . | * | trans | -62.3 | 141.2 | 169 | 85.8 | 0 | 0 | 0 | 0 | 106.3 | R196 H200 C201 K202 | R196-C198 PolarHBondContact O-N 3.21Å; C198-H200 PolarHBondContact O-N 3.32Å; C198-C201 HydrophobicContact CB-CB 4.21Å; C198-C201 WeakPolarHBondContact CB-SG 3.34Å; C198-C201 WeakPolarHBondContact O-CB 3.34Å; C198-C201 PolarHBondContact O-N 2.74Å; C198-C201 WeakPolarHBondContact SG-CB 3.27Å; C198-C201 PolarHBondContact SG-N 3.33Å; C198-C201 CovalentContact SG-SG 2.07Å; C198-C201 PolarHBondContact SG-SG 3.09Å; C198-K202 PolarHBondContact O-N 3Å | ||
| 199 | L | 66.8 | Low | 63.8 | Low | 153 Ų | 153 | 114.5 Ų | 114.5 | 80% | 0.801 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -54.7 | -30.9 | -178.5 | -69.9 | 171.5 | 0 | 0 | 0 | 111.3 | A203 | L199-A203 WeakPolarHBondContact O-CB 3.49Å; L199-A203 PolarHBondContact O-N 3.48Å |
| 200 | H | 67.1 | Low | 65.5 | Low | 107 Ų | 107 | 115.8 Ų | 115.8 | 50% | 0.495 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -43.8 | 174.2 | -173.3 | -89.9 | 0 | 0 | 0 | 113.4 | C198 K202 A203 M204 | C198-H200 PolarHBondContact O-N 3.32Å; H200-K202 VanDerWaalsContact C-N 3.28Å; H200-K202 PolarHBondContact O-N 3.13Å; H200-A203 PolarHBondContact O-N 3.07Å; H200-A203 VanDerWaalsContact O-N 3.14Å; H200-M204 PolarHBondContact O-N 2.89Å |
| 201 | C | 76.1 | Confident | 67.1 | Low | 35 Ų | 35 | 115.6 Ų | 115.6 | 24% | 0.236 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -63.4 | -38.9 | 177.5 | -51.3 | 0 | 0 | 0 | 0 | 110.3 | C198 R205 | C198-C201 HydrophobicContact CB-CB 4.21Å; C198-C201 WeakPolarHBondContact CB-SG 3.34Å; C198-C201 WeakPolarHBondContact O-CB 3.34Å; C198-C201 PolarHBondContact O-N 2.74Å; C198-C201 WeakPolarHBondContact SG-CB 3.27Å; C198-C201 PolarHBondContact SG-N 3.33Å; C198-C201 CovalentContact SG-SG 2.07Å; C198-C201 PolarHBondContact SG-SG 3.09Å; C201-R205 PolarHBondContact O-N 2.81Å |
| 202 | K | 77.9 | Confident | 68.5 | Low | 133 Ų | 133 | 112.2 Ų | 112.2 | 58% | 0.578 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -65.2 | -44.8 | 173 | -170.5 | 176.2 | -178 | 179.1 | 0 | 111.3 | C198 H200 T206 | C198-K202 PolarHBondContact O-N 3Å; H200-K202 VanDerWaalsContact C-N 3.28Å; H200-K202 PolarHBondContact O-N 3.13Å; K202-T206 WeakPolarHBondContact O-CG2 3.48Å; K202-T206 PolarHBondContact O-N 3.09Å; K202-T206 VanDerWaalsContact O-N 3.09Å; K202-T206 PolarHBondContact O-OG1 2.9Å; K202-T206 VanDerWaalsContact O-OG1 3.13Å |
| 203 | A | 76.1 | Confident | 69.4 | Low | 51 Ų | 51 | 108 Ų | 108 | 42% | 0.421 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.4 | -42.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L199 H200 T206 N207 | L199-A203 WeakPolarHBondContact O-CB 3.49Å; L199-A203 PolarHBondContact O-N 3.48Å; H200-A203 PolarHBondContact O-N 3.07Å; H200-A203 VanDerWaalsContact O-N 3.14Å; A203-T206 WeakPolarHBondContact CA-OG1 3.42Å; A203-T206 PolarHBondContact O-N 3.16Å; A203-T206 PolarHBondContact O-OG1 3.48Å; A203-N207 WeakPolarHBondContact O-CB 3.47Å; A203-N207 PolarHBondContact O-N 3.15Å |
| 204 | M | 76.6 | Confident | 70.1 | Confident | 88 Ų | 88 | 103.4 Ų | 103.4 | 43% | 0.433 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.7 | -49.3 | 179.2 | -164.4 | -162.1 | -79.7 | 0 | 0 | 111 | H200 T206 N207 E208 | H200-M204 PolarHBondContact O-N 2.89Å; M204-T206 VanDerWaalsContact C-N 3.31Å; M204-T206 PolarHBondContact O-N 2.93Å; M204-N207 WeakPolarHBondContact O-CA 3.38Å; M204-N207 WeakPolarHBondContact O-CB 3.33Å; M204-N207 PolarHBondContact O-N 3.39Å; M204-E208 WeakPolarHBondContact O-CG 3.38Å; M204-E208 PolarHBondContact O-N 3.26Å |
| 205 | R | 74.3 | Confident | 70.2 | Confident | 120 Ų | 120 | 104.5 Ų | 104.5 | 45% | 0.453 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.5 | -40 | 176.4 | -175.6 | -179.4 | -68.7 | 133.3 | 3.4 | 112.5 | E195 C201 N207 W209 | E195-R205 IonicContact OE2-CZ 3.68Å; E195-R205 IonicContact OE2-NH1 3.83Å; E195-R205 IonicContact OE2-NH2 2.67Å; E195-R205 PolarHBondContact OE2-NH2 3.11Å; C201-R205 PolarHBondContact O-N 2.81Å; R205-N207 VanDerWaalsContact C-N 3.32Å; R205-W209 WeakPolarHBondContact O-CB 3.33Å; R205-W209 PolarHBondContact O-N 3.42Å |
| 206 | T | 78.2 | Confident | 70.2 | Confident | 71 Ų | 71 | 106.8 Ų | 106.8 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -67.4 | -34.2 | 175 | 52.3 | 0 | 0 | 0 | 0 | 112.4 | K202 A203 M204 L210 | K202-T206 WeakPolarHBondContact O-CG2 3.48Å; K202-T206 PolarHBondContact O-N 3.09Å; K202-T206 VanDerWaalsContact O-N 3.09Å; K202-T206 PolarHBondContact O-OG1 2.9Å; K202-T206 VanDerWaalsContact O-OG1 3.13Å; A203-T206 WeakPolarHBondContact CA-OG1 3.42Å; A203-T206 PolarHBondContact O-N 3.16Å; A203-T206 PolarHBondContact O-OG1 3.48Å; M204-T206 VanDerWaalsContact C-N 3.31Å; M204-T206 PolarHBondContact O-N 2.93Å; T206-L210 WeakPolarHBondContact O-CB 3.19Å; T206-L210 WeakPolarHBondContact O-CD1 3.24Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 3.08Å |
| 207 | N | 73.6 | Confident | 69.7 | Low | 100 Ų | 100 | 105.4 Ų | 105.4 | 54% | 0.535 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -70 | -46.5 | 177.4 | -167.8 | -27.5 | 0 | 0 | 0 | 110.8 | A203 M204 R205 W209 L210 V211 | A203-N207 WeakPolarHBondContact O-CB 3.47Å; A203-N207 PolarHBondContact O-N 3.15Å; M204-N207 WeakPolarHBondContact O-CA 3.38Å; M204-N207 WeakPolarHBondContact O-CB 3.33Å; M204-N207 PolarHBondContact O-N 3.39Å; R205-N207 VanDerWaalsContact C-N 3.32Å; N207-W209 VanDerWaalsContact C-N 3.32Å; N207-W209 PolarHBondContact O-N 3.28Å; N207-L210 CarbonylContact O-C 3.56Å; N207-L210 WeakPolarHBondContact O-CB 3.44Å; N207-L210 PolarHBondContact O-N 3.15Å; N207-L210 VanDerWaalsContact O-N 3.09Å; N207-V211 WeakPolarHBondContact O-CG2 3.5Å; N207-V211 PolarHBondContact O-N 2.77Å; N207-V211 WeakPolarHBondContact OD1-CG2 3.46Å |
| 208 | E | 77.8 | Confident | 69.2 | Low | 108 Ų | 108 | 103.3 Ų | 103.3 | 51% | 0.505 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 173.7 | -70.2 | 175 | 165.7 | 0 | 0 | 111.4 | M204 L210 V211 H212 | M204-E208 WeakPolarHBondContact O-CG 3.38Å; M204-E208 PolarHBondContact O-N 3.26Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.46Å; E208-V211 PolarHBondContact O-N 3.44Å; E208-H212 PolarHBondContact O-CD2 3.49Å; E208-H212 PolarHBondContact O-N 3.15Å; E208-H212 VanDerWaalsContact O-N 3.08Å |
| 209 | W | 82.8 | Confident | 68 | Low | 156 Ų | 156 | 105.4 Ų | 105.4 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -59.3 | -44 | 174.6 | -176.2 | 83.8 | 0 | 0 | 0 | 112 | R205 N207 H213 | R205-W209 WeakPolarHBondContact O-CB 3.33Å; R205-W209 PolarHBondContact O-N 3.42Å; N207-W209 VanDerWaalsContact C-N 3.32Å; N207-W209 PolarHBondContact O-N 3.28Å; W209-H213 AromaticContact CD1-CD2 3.58Å; W209-H213 AromaticContact CD1-NE2 3.91Å; W209-H213 AromaticContact CE2-CD2 3.58Å; W209-H213 AromaticContact NE1-CD2 3.28Å; W209-H213 PolarHBondContact NE1-CD2 2.86Å; W209-H213 VanDerWaalsContact NE1-CD2 3.28Å; W209-H213 AromaticContact NE1-NE2 3.49Å; W209-H213 PolarHBondContact NE1-NE2 3.04Å; W209-H213 WeakPolarHBondContact O-CB 3.36Å; W209-H213 PolarHBondContact O-CD2 3.32Å; W209-H213 PolarHBondContact O-N 3.08Å; W209-H213 VanDerWaalsContact O-N 3.08Å |
| 210 | L | 76.4 | Confident | 66.9 | Low | 95 Ų | 95 | 104.7 Ų | 104.7 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.1 | -40.7 | 176.7 | -78.1 | 167.5 | 0 | 0 | 0 | 112.3 | T206 N207 E208 H213 S214 | T206-L210 WeakPolarHBondContact O-CB 3.19Å; T206-L210 WeakPolarHBondContact O-CD1 3.24Å; T206-L210 WeakPolarHBondContact O-CG 3.49Å; T206-L210 PolarHBondContact O-N 3.08Å; N207-L210 CarbonylContact O-C 3.56Å; N207-L210 WeakPolarHBondContact O-CB 3.44Å; N207-L210 PolarHBondContact O-N 3.15Å; N207-L210 VanDerWaalsContact O-N 3.09Å; E208-L210 VanDerWaalsContact C-N 3.33Å; E208-L210 PolarHBondContact O-N 3.46Å; L210-H213 PolarHBondContact O-N 3.45Å; L210-S214 WeakPolarHBondContact O-CA 3.03Å; L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.21Å; L210-S214 PolarHBondContact O-OG 3.38Å |
| 211 | V | 76.6 | Confident | 65.5 | Low | 61 Ų | 61 | 105.6 Ų | 105.6 | 37% | 0.37 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.6 | -46 | 178.8 | 170.4 | 0 | 0 | 0 | 0 | 111 | N207 E208 H213 S214 | N207-V211 WeakPolarHBondContact O-CG2 3.5Å; N207-V211 PolarHBondContact O-N 2.77Å; N207-V211 WeakPolarHBondContact OD1-CG2 3.46Å; E208-V211 PolarHBondContact O-N 3.44Å; V211-H213 PolarHBondContact O-N 2.64Å; V211-S214 PolarHBondContact O-OG 3.36Å |
| 212 | H | 72.3 | Confident | 63.9 | Low | 133 Ų | 133 | 109 Ų | 109 | 62% | 0.616 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68 | -32.9 | 179.4 | -74.7 | -68 | 0 | 0 | 0 | 113.3 | E208 | E208-H212 PolarHBondContact O-CD2 3.49Å; E208-H212 PolarHBondContact O-N 3.15Å; E208-H212 VanDerWaalsContact O-N 3.08Å |
| 213 | H | 67.3 | Low | 62 | Low | 87 Ų | 87 | 109 Ų | 109 | 40% | 0.403 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -98.1 | -15.7 | -177.4 | -74.1 | -73.7 | 0 | 0 | 0 | 115 | W209 L210 V211 | W209-H213 AromaticContact CD1-CD2 3.58Å; W209-H213 AromaticContact CD1-NE2 3.91Å; W209-H213 AromaticContact CE2-CD2 3.58Å; W209-H213 AromaticContact NE1-CD2 3.28Å; W209-H213 PolarHBondContact NE1-CD2 2.86Å; W209-H213 VanDerWaalsContact NE1-CD2 3.28Å; W209-H213 AromaticContact NE1-NE2 3.49Å; W209-H213 PolarHBondContact NE1-NE2 3.04Å; W209-H213 WeakPolarHBondContact O-CB 3.36Å; W209-H213 PolarHBondContact O-CD2 3.32Å; W209-H213 PolarHBondContact O-N 3.08Å; W209-H213 VanDerWaalsContact O-N 3.08Å; L210-H213 PolarHBondContact O-N 3.45Å; V211-H213 PolarHBondContact O-N 2.64Å |
| 214 | S | 60.9 | Low | 60 | Low | 71 Ų | 71 | 115.6 Ų | 115.6 | 50% | 0.497 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -78.2 | -32.2 | 173.5 | 58.9 | 0 | 0 | 0 | 0 | 112.4 | L210 V211 Q216 K217 | L210-S214 WeakPolarHBondContact O-CA 3.03Å; L210-S214 WeakPolarHBondContact O-CB 3.45Å; L210-S214 PolarHBondContact O-N 3.21Å; L210-S214 PolarHBondContact O-OG 3.38Å; V211-S214 PolarHBondContact O-OG 3.36Å; S214-Q216 VanDerWaalsContact C-N 3.3Å; S214-Q216 PolarHBondContact O-N 3.25Å; S214-K217 PolarHBondContact O-N 3.29Å |
| 215 | Q | 54.6 | Low | 58.3 | Low | 139 Ų | 139 | 121 Ų | 121 | 65% | 0.65 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -69.6 | -28.1 | 176.3 | -70.6 | -177.7 | 16.6 | 0 | 0 | 112.5 | K217 A218 | Q215-K217 PolarHBondContact O-N 3.26Å; Q215-A218 PolarHBondContact O-N 3.24Å |
| 216 | Q | 53.3 | Low | 56.2 | Low | 132 Ų | 132 | 118.7 Ų | 118.7 | 62% | 0.617 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -69 | -18.3 | 177.3 | -74.2 | -170.6 | -10.2 | 0 | 0 | 113.9 | S214 A218 | S214-Q216 VanDerWaalsContact C-N 3.3Å; S214-Q216 PolarHBondContact O-N 3.25Å; Q216-A218 VanDerWaalsContact C-N 3.32Å |
| 217 | K | 44.2 | Very low | 54.1 | Low | 198 Ų | 198 | 122.8 Ų | 122.8 | 86% | 0.861 | 67% | 0.668 | S | S | * | * | G | 310 helix | trans | -82.7 | -5.2 | 176 | -69.8 | -162 | 177.1 | -170.5 | 0 | 114 | S214 Q215 | S214-K217 PolarHBondContact O-N 3.29Å; Q215-K217 PolarHBondContact O-N 3.26Å |
| 218 | A | 45.6 | Very low | 52.3 | Low | 85 Ų | 85 | 123.3 Ų | 123.3 | 70% | 0.702 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -95.6 | -1.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q215 Q216 | Q215-A218 PolarHBondContact O-N 3.24Å; Q216-A218 VanDerWaalsContact C-N 3.32Å |
| 219 | S | 49.7 | Very low | 50.6 | Low | 90 Ų | 90 | 123.3 Ų | 123.3 | 63% | 0.629 | 69% | 0.688 | S | S | * | * | trans | -123.6 | 64.8 | -176.5 | 65.6 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 220 | V | 43.2 | Very low | 48.9 | Very low | 138 Ų | 138 | 124.7 Ų | 124.7 | 84% | 0.836 | 70% | 0.701 | S | S | * | * | trans | -133.6 | 81.2 | 153.8 | -176.3 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 221 | T | 38.5 | Very low | 47 | Very low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 72% | 0.72 | S | S | * | * | trans | -120 | 125.4 | 161 | -51.6 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 222 | P | 41.6 | Very low | 45.5 | Very low | 106 Ų | 106 | 131.7 Ų | 131.7 | 69% | 0.688 | 74% | 0.74 | S | S | * | * | trans | -70.4 | 153.9 | -178.2 | 28.8 | -32.9 | 0 | 0 | 0 | 111.2 | M224 | P222-M224 PolarHBondContact O-N 3.45Å; P222-M224 VanDerWaalsContact O-N 3.12Å | ||
| 223 | P | 37.8 | Very low | 43.9 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 86% | 0.864 | 75% | 0.746 | S | S | * | * | trans | -77.5 | 104.1 | -175.2 | 31.6 | -30.8 | 0 | 0 | 0 | 109.4 | ||||
| 224 | M | 33.9 | Very low | 42.5 | Very low | 189 Ų | 189 | 133.5 Ų | 133.5 | 93% | 0.931 | 76% | 0.764 | S | S | * | * | trans | -93.9 | 110.7 | 162.7 | -111.3 | 179.5 | 96.8 | 0 | 0 | 109.7 | P222 | P222-M224 PolarHBondContact O-N 3.45Å; P222-M224 VanDerWaalsContact O-N 3.12Å | ||
| 225 | K | 41.1 | Very low | 41.6 | Very low | 203 Ų | 203 | 135 Ų | 135 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -49.8 | 127.5 | 163.8 | -172.2 | -177.1 | -172.8 | -170.7 | 0 | 110.5 | ||||
| 226 | G | 31.8 | Very low | 40.7 | Very low | 70 Ų | 70 | 135.6 Ų | 135.6 | 72% | 0.722 | 78% | 0.782 | S | S | * | * | trans | -176.8 | 122.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 227 | D | 32.9 | Very low | 40.3 | Very low | 158 Ų | 158 | 136.5 Ų | 136.5 | 85% | 0.845 | 79% | 0.79 | S | S | * | * | trans | -66.7 | 157.3 | -169.4 | -62.4 | -62.9 | 0 | 0 | 0 | 115.3 | ||||
| 228 | S | 36.6 | Very low | 40.1 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | trans | -29.6 | 175.5 | 170.7 | 62.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 229 | P | 41.8 | Very low | 39.9 | Very low | 109 Ų | 109 | 134.2 Ų | 134.2 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | cis | -136.8 | 160.5 | 1.7 | 27 | -2.6 | 0 | 0 | 0 | 116.4 | ||||
| 230 | E | 45.7 | Very low | 39.8 | Very low | 184 Ų | 184 | 138.9 Ų | 138.9 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 39.5 | 105.2 | 131.2 | -148.5 | 162.2 | 162.5 | 0 | 0 | 120 | ||||
| 231 | E | 37.1 | Very low | 39.9 | Very low | 193 Ų | 193 | 141.3 Ų | 141.3 | 90% | 0.902 | 79% | 0.788 | S | S | * | * | trans | -152.9 | 105 | 146.8 | -123.7 | 173.5 | 165 | 0 | 0 | 111.5 | ||||
| 232 | S | 44.8 | Very low | 40.1 | Very low | 111 Ų | 111 | 140.9 Ų | 140.9 | 78% | 0.776 | 79% | 0.79 | S | S | * | * | trans | -69.5 | 123.5 | 167.3 | 53.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 233 | S | 38.7 | Very low | 40.4 | Very low | 107 Ų | 107 | 144.4 Ų | 144.4 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -137.4 | 84.5 | 159.8 | 56.8 | 0 | 0 | 0 | 0 | 111 | S235 | S233-S235 PolarHBondContact O-N 3.22Š| ||
| 234 | I | 39.3 | Very low | 40.7 | Very low | 150 Ų | 150 | 151 Ų | 151 | 77% | 0.769 | 81% | 0.81 | S | S | * | * | trans | -67.4 | 112.5 | 161.1 | -64.1 | 167.8 | 0 | 0 | 0 | 106.2 | D236 | I234-D236 PolarHBondContact O-N 3.47Š| ||
| 235 | S | 40.5 | Very low | 41 | Very low | 104 Ų | 104 | 149.1 Ų | 149.1 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -84.2 | 93 | 173.8 | -69.2 | 0 | 0 | 0 | 0 | 109.6 | S233 I237 | S233-S235 PolarHBondContact O-N 3.22Å; S235-I237 PolarHBondContact O-N 3.3Å | ||
| 236 | D | 35.7 | Very low | 41 | Very low | 151 Ų | 151 | 146.2 Ų | 146.2 | 81% | 0.807 | 80% | 0.799 | S | S | * | * | trans | -73.3 | 104.5 | 168 | -85.2 | -40 | 0 | 0 | 0 | 110.3 | I234 N238 | I234-D236 PolarHBondContact O-N 3.47Å; D236-N238 PolarHBondContact O-N 3.3Å | ||
| 237 | I | 45.8 | Very low | 41.5 | Very low | 151 Ų | 151 | 150.4 Ų | 150.4 | 77% | 0.774 | 80% | 0.804 | S | S | * | * | trans | -83.5 | 95.5 | 174.7 | -58.7 | 172 | 0 | 0 | 0 | 108.4 | S235 T239 | S235-I237 PolarHBondContact O-N 3.3Å; I237-T239 PolarHBondContact O-N 3.24Å | ||
| 238 | N | 41 | Very low | 42 | Very low | 129 Ų | 129 | 150 Ų | 150 | 69% | 0.69 | 80% | 0.801 | S | S | * | * | trans | -72.8 | 107.8 | 174.2 | -167.8 | -39.5 | 0 | 0 | 0 | 110.6 | D236 K240 | D236-N238 PolarHBondContact O-N 3.3Å; N238-K240 PolarHBondContact O-N 3.12Å | ||
| 239 | T | 39.6 | Very low | 42.3 | Very low | 106 Ų | 106 | 152.5 Ų | 152.5 | 65% | 0.65 | 80% | 0.803 | S | S | * | * | trans | -88.4 | 96.5 | 169.6 | 34.7 | 0 | 0 | 0 | 0 | 110 | I237 F241 | I237-T239 PolarHBondContact O-N 3.24Å; T239-F241 PolarHBondContact O-N 3.28Å | ||
| 240 | K | 48 | Very low | 42.4 | Very low | 187 Ų | 187 | 155.4 Ų | 155.4 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | trans | -76 | 100.3 | 165.6 | -74.2 | -173.5 | 178 | -178.7 | 0 | 109.9 | N238 S242 | N238-K240 PolarHBondContact O-N 3.12Å; K240-S242 PolarHBondContact O-N 3.31Å | ||
| 241 | F | 45.8 | Very low | 42.1 | Very low | 190 Ų | 190 | 153.4 Ų | 153.4 | 83% | 0.833 | 81% | 0.806 | S | S | * | * | trans | -78.8 | 104.9 | 157.1 | -78.7 | -85.5 | 0 | 0 | 0 | 108.8 | T239 | T239-F241 PolarHBondContact O-N 3.28Š| ||
| 242 | S | 42.3 | Very low | 42.5 | Very low | 118 Ų | 118 | 150.3 Ų | 150.3 | 83% | 0.825 | 80% | 0.799 | S | S | * | * | trans | -78 | 120.9 | 166.2 | -173.8 | 0 | 0 | 0 | 0 | 108.8 | K240 | K240-S242 PolarHBondContact O-N 3.31Š| ||
| 243 | K | 48.4 | Very low | 42.4 | Very low | 180 Ų | 180 | 153.6 Ų | 153.6 | 78% | 0.783 | 80% | 0.8 | S | S | * | * | trans | -117.4 | 142 | 170.2 | -132.1 | 178.6 | -173.4 | 179.1 | 0 | 107.3 | ||||
| 244 | F | 43.2 | Very low | 42.7 | Very low | 270 Ų | 270 | 157.8 Ų | 157.8 | 100% | 1.184 | 81% | 0.805 | S | S | * | * | trans | 89.2 | 0 | -178.5 | -58 | -75.2 | 0 | 0 | 0 | 116.1 |
Retrieved 244 of 244 residues in 107.5 ms
(Link to these results)