| 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 | 46.3 | Very low | 53.3 | Low | 249 Ų | 249 | 170.3 Ų | 170.3 | 100% | 1.227 | 79% | 0.79 | S | S | * | * | 0 | 111.2 | 0 | -80.5 | 167 | 130.2 | 0 | 0 | 108.5 | |||||
| 2 | S | 45.2 | Very low | 53.3 | Low | 120 Ų | 120 | 170.1 Ų | 170.1 | 84% | 0.839 | 79% | 0.789 | S | S | * | * | trans | -72 | 131.9 | -178.1 | -69.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 3 | K | 55.1 | Low | 52.1 | Low | 169 Ų | 169 | 163.2 Ų | 163.2 | 74% | 0.735 | 79% | 0.792 | S | S | * | * | trans | -130.4 | 99.2 | 159.5 | -71.5 | -174.2 | 178 | -178.4 | 0 | 107.9 | Y5 | K3-Y5 HydrophobicContact CB-CD2 4.43Å; K3-Y5 HydrophobicContact CB-CE2 4Å; K3-Y5 HydrophobicContact CD-CE2 4.29Å | ||
| 4 | R | 56.9 | Low | 51.9 | Low | 243 Ų | 243 | 157.7 Ų | 157.7 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | -98.6 | 114.3 | 162.7 | -87.5 | -168.7 | -87.5 | -153.5 | -3.4 | 106.5 | ||||
| 5 | Y | 63.8 | Low | 51.6 | Low | 201 Ų | 201 | 155.7 Ų | 155.7 | 79% | 0.788 | 79% | 0.786 | S | S | * | * | trans | -79.7 | 134.4 | 175.8 | -78.2 | -91.6 | 0 | 0 | 0 | 109.8 | K3 | K3-Y5 HydrophobicContact CB-CD2 4.43Å; K3-Y5 HydrophobicContact CB-CE2 4Å; K3-Y5 HydrophobicContact CD-CE2 4.29Å | ||
| 6 | H | 48.5 | Very low | 51.6 | Low | 156 Ų | 156 | 158.6 Ų | 158.6 | 72% | 0.722 | 79% | 0.785 | S | S | * | * | trans | -69.2 | 145.5 | 170.1 | -131.9 | -65.6 | 0 | 0 | 0 | 109.8 | D8 | H6-D8 IonicContact CE1-OD2 3.45Å; H6-D8 PolarHBondContact CE1-OD2 3.17Å; H6-D8 IonicContact ND1-OD2 2.72Å; H6-D8 PolarHBondContact ND1-OD2 3.17Å | ||
| 7 | E | 59.9 | Low | 51.5 | Low | 173 Ų | 173 | 161 Ų | 161 | 81% | 0.808 | 79% | 0.79 | S | S | * | * | trans | -159.4 | 108.8 | 137.8 | -126.2 | 163.3 | -174.4 | 0 | 0 | 111 | ||||
| 8 | D | 49 | Very low | 51.5 | Low | 125 Ų | 125 | 161.9 Ų | 161.9 | 67% | 0.668 | 79% | 0.792 | S | S | * | * | trans | -87.8 | 122.7 | 164.2 | -76.8 | -51.8 | 0 | 0 | 0 | 108.1 | H6 | H6-D8 IonicContact CE1-OD2 3.45Å; H6-D8 PolarHBondContact CE1-OD2 3.17Å; H6-D8 IonicContact ND1-OD2 2.72Å; H6-D8 PolarHBondContact ND1-OD2 3.17Å | ||
| 9 | H | 58 | Low | 51.5 | Low | 145 Ų | 145 | 164.8 Ų | 164.8 | 67% | 0.671 | 79% | 0.793 | S | S | * | * | trans | -147.1 | 101.8 | 158.3 | -76.1 | -64.3 | 0 | 0 | 0 | 108.1 | ||||
| 10 | E | 54.4 | Low | 51.5 | Low | 138 Ų | 138 | 168.4 Ų | 168.4 | 65% | 0.645 | 80% | 0.798 | S | S | * | * | 76.6 | 101.8 | 95.4 | -77.7 | -145.4 | 124.7 | 0 | 0 | 115.1 | |||||
| 11 | K | 49.5 | Very low | 51.5 | Low | 154 Ų | 154 | 167 Ų | 167 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | 57.7 | 151.9 | 123.5 | -62.3 | 175.8 | -175.6 | 148.7 | 0 | 121.2 | |||||
| 12 | H | 52.6 | Low | 51.7 | Low | 168 Ų | 168 | 160.1 Ų | 160.1 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | 103.9 | 82.6 | 155 | -54.9 | -66.9 | 0 | 0 | 0 | 116.5 | ||||
| 13 | G | 37.9 | Very low | 51.8 | Low | 80 Ų | 80 | 165.7 Ų | 165.7 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | trans | 12.6 | 116.8 | 132.3 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 14 | S | 49.3 | Very low | 51.6 | Low | 87 Ų | 87 | 162.8 Ų | 162.8 | 61% | 0.608 | 78% | 0.775 | S | S | * | * | trans | -145.7 | 87.6 | 144.9 | -140.9 | 0 | 0 | 0 | 0 | 109.6 | R16 | S14-R16 PolarHBondContact O-N 2.99Š| ||
| 15 | S | 46.9 | Very low | 51.2 | Low | 128 Ų | 128 | 158.6 Ų | 158.6 | 90% | 0.895 | 77% | 0.766 | S | S | * | * | trans | -63.1 | 81.1 | 157.5 | -179.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 16 | R | 51.7 | Low | 50.7 | Low | 201 Ų | 201 | 153.4 Ų | 153.4 | 76% | 0.758 | 76% | 0.759 | S | S | * | * | trans | -99.8 | 99.3 | 171.9 | -85.3 | -179.5 | 179 | -178.2 | 0.9 | 108.3 | S14 H18 | S14-R16 PolarHBondContact O-N 2.99Å; R16-H18 PolarHBondContact O-N 3.31Å | ||
| 17 | K | 50.1 | Low | 51 | Low | 200 Ų | 200 | 153.1 Ų | 153.1 | 87% | 0.87 | 76% | 0.758 | S | S | * | * | trans | -34.1 | 97.8 | 156.3 | -80.4 | 171.7 | 167.6 | 171.9 | 0 | 110.1 | R19 | K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 2.82Å | ||
| 18 | H | 51 | Low | 50.6 | Low | 178 Ų | 178 | 149.2 Ų | 149.2 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -71.5 | 98.8 | 158.7 | -84.4 | -74 | 0 | 0 | 0 | 106.5 | R16 R20 | R16-H18 PolarHBondContact O-N 3.31Å; H18-R20 PolarHBondContact O-N 2.6Å | ||
| 19 | R | 52.8 | Low | 51.1 | Low | 217 Ų | 217 | 152 Ų | 152 | 82% | 0.819 | 75% | 0.748 | S | S | * | * | trans | -45.8 | 110.3 | 160.8 | -80.7 | 178.8 | 165.6 | 162.4 | -5.1 | 106.7 | K17 D21 | K17-R19 VanDerWaalsContact C-N 3.31Å; K17-R19 PolarHBondContact O-N 2.82Å; R19-D21 PolarHBondContact O-N 2.72Å | ||
| 20 | R | 51.2 | Low | 51.1 | Low | 235 Ų | 235 | 151.6 Ų | 151.6 | 89% | 0.887 | 75% | 0.752 | S | S | * | * | trans | -63.7 | 88.6 | 158.3 | -82 | -179.4 | -177.7 | 160.4 | 0.5 | 105.2 | H18 S22 | H18-R20 PolarHBondContact O-N 2.6Å; R20-S22 PolarHBondContact O-N 3.4Å | ||
| 21 | D | 51.4 | Low | 51.5 | Low | 139 Ų | 139 | 152.2 Ų | 152.2 | 74% | 0.743 | 75% | 0.752 | S | S | * | * | trans | -66.5 | 93.6 | 158.3 | -78 | -27.7 | 0 | 0 | 0 | 105.5 | R19 R23 | R19-D21 PolarHBondContact O-N 2.72Å; D21-R23 PolarHBondContact O-N 2.78Å | ||
| 22 | S | 50.8 | Low | 52.2 | Low | 106 Ų | 106 | 152 Ų | 152 | 74% | 0.741 | 75% | 0.754 | S | S | * | * | trans | -55.5 | 88.5 | 162.2 | -53.7 | 0 | 0 | 0 | 0 | 106.8 | R20 S24 | R20-S22 PolarHBondContact O-N 3.4Å; S22-S24 PolarHBondContact O-N 2.95Å | ||
| 23 | R | 46.1 | Very low | 53 | Low | 236 Ų | 236 | 151.7 Ų | 151.7 | 89% | 0.891 | 76% | 0.757 | S | S | * | * | trans | -62.8 | 91.2 | 163.9 | -98.7 | 179 | 173.8 | 163.3 | -1.4 | 106.1 | D21 H25 | D21-R23 PolarHBondContact O-N 2.78Å; R23-H25 VanDerWaalsContact C-N 3.33Å; R23-H25 PolarHBondContact O-N 3.12Å | ||
| 24 | S | 52 | Low | 54.8 | Low | 108 Ų | 108 | 158 Ų | 158 | 76% | 0.755 | 76% | 0.756 | S | S | * | * | trans | -45.2 | 100.7 | 161.5 | 24.5 | 0 | 0 | 0 | 0 | 107.6 | S22 S26 | S22-S24 PolarHBondContact O-N 2.95Å; S24-S26 PolarHBondContact O-N 3.27Å | ||
| 25 | H | 49.1 | Very low | 56.2 | Low | 155 Ų | 155 | 160.6 Ų | 160.6 | 72% | 0.718 | 76% | 0.761 | S | S | * | * | trans | -73.5 | 77.8 | 170.7 | -163.4 | 69.1 | 0 | 0 | 0 | 106 | R23 H27 | R23-H25 VanDerWaalsContact C-N 3.33Å; R23-H25 PolarHBondContact O-N 3.12Å; H25-H27 PolarHBondContact O-N 3.44Å; H25-H27 VanDerWaalsContact O-N 3.12Å | ||
| 26 | S | 52.7 | Low | 57.9 | Low | 92 Ų | 92 | 163.3 Ų | 163.3 | 64% | 0.643 | 76% | 0.759 | S | S | * | * | trans | -59.3 | 118.5 | 167.5 | 55.6 | 0 | 0 | 0 | 0 | 106.7 | S24 D28 | S24-S26 PolarHBondContact O-N 3.27Å; S26-D28 PolarHBondContact O-N 3.31Å | ||
| 27 | H | 53.7 | Low | 59.4 | Low | 151 Ų | 151 | 161.7 Ų | 161.7 | 70% | 0.699 | 76% | 0.763 | S | S | * | * | trans | -68.6 | 81.4 | 170.2 | -124 | -69.4 | 0 | 0 | 0 | 106.7 | H25 K29 | H25-H27 PolarHBondContact O-N 3.44Å; H25-H27 VanDerWaalsContact O-N 3.12Å; H27-K29 VanDerWaalsContact C-N 3.33Å; H27-K29 PolarHBondContact O-N 2.92Å | ||
| 28 | D | 52.6 | Low | 61 | Low | 90 Ų | 90 | 161.2 Ų | 161.2 | 48% | 0.481 | 76% | 0.761 | S | S | . | * | trans | -66 | 96.6 | 174 | -156.8 | -5 | 0 | 0 | 0 | 107 | S26 D30 K31 | S26-D28 PolarHBondContact O-N 3.31Å; D28-D30 PolarHBondContact O-N 2.93Å; D28-K31 HydrophobicContact CB-CG 4.25Å; D28-K31 WeakPolarHBondContact O-CG 3.4Å | ||
| 29 | K | 59.5 | Low | 62.3 | Low | 183 Ų | 183 | 158 Ų | 158 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -3.6 | -179.9 | -67.8 | -162.6 | -178.9 | -176.6 | 0 | 112 | H27 | H27-K29 VanDerWaalsContact C-N 3.33Å; H27-K29 PolarHBondContact O-N 2.92Å |
| 30 | D | 58.8 | Low | 63.3 | Low | 138 Ų | 138 | 156 Ų | 156 | 74% | 0.738 | 76% | 0.76 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111 | 36.9 | -179.5 | -60.2 | -28.9 | 0 | 0 | 0 | 112 | D28 E32 | D28-D30 PolarHBondContact O-N 2.93Å; D30-E32 PolarHBondContact O-N 3.43Å |
| 31 | K | 62 | Low | 64.5 | Low | 151 Ų | 151 | 152.1 Ų | 152.1 | 66% | 0.657 | 75% | 0.754 | S | S | * | * | trans | -68.9 | 74.4 | 169.4 | -69.3 | -178 | -170.4 | -172.6 | 0 | 110.2 | D28 L33 | D28-K31 HydrophobicContact CB-CG 4.25Å; D28-K31 WeakPolarHBondContact O-CG 3.4Å; K31-L33 PolarHBondContact O-N 3.47Å | ||
| 32 | E | 64.8 | Low | 65.6 | Low | 150 Ų | 150 | 148.1 Ų | 148.1 | 70% | 0.701 | 73% | 0.732 | S | S | * | * | trans | -57.8 | 120 | 166.8 | -172.3 | 179 | -155.2 | 0 | 0 | 108.2 | D30 R34 | D30-E32 PolarHBondContact O-N 3.43Å; E32-R34 PolarHBondContact O-N 3.2Å | ||
| 33 | L | 69.1 | Low | 66.6 | Low | 160 Ų | 160 | 148.7 Ų | 148.7 | 84% | 0.838 | 74% | 0.736 | S | S | * | * | trans | -68.2 | 95.9 | 175.4 | -70.9 | 169.6 | 0 | 0 | 0 | 108.6 | K31 I35 | K31-L33 PolarHBondContact O-N 3.47Å; L33-I35 PolarHBondContact O-N 2.93Å | ||
| 34 | R | 76.1 | Confident | 67.5 | Low | 214 Ų | 214 | 138.4 Ų | 138.4 | 81% | 0.808 | 70% | 0.7 | S | S | * | * | trans | -78.3 | 100 | 171 | -65.7 | -176.3 | -179.2 | 175.9 | 1.5 | 109.1 | E32 Q36 | E32-R34 PolarHBondContact O-N 3.2Å; R34-Q36 PolarHBondContact O-N 3.47Å | ||
| 35 | I | 78.4 | Confident | 68.7 | Low | 141 Ų | 141 | 141.3 Ų | 141.3 | 72% | 0.723 | 71% | 0.708 | S | S | * | * | trans | -78.5 | 113.7 | 169.7 | -58.9 | 173.6 | 0 | 0 | 0 | 107.3 | L33 M37 | L33-I35 PolarHBondContact O-N 2.93Å; I35-M37 HydrophobicContact CG2-SD 4.19Å; I35-M37 PolarHBondContact O-N 2.91Å | ||
| 36 | Q | 82.6 | Confident | 70.3 | Confident | 184 Ų | 184 | 138.4 Ų | 138.4 | 86% | 0.86 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -78 | 116.3 | 168.3 | -70.7 | -177 | 3.2 | 0 | 0 | 108.7 | R34 | R34-Q36 PolarHBondContact O-N 3.47Š|
| 37 | M | 82.4 | Confident | 71.7 | Confident | 167 Ų | 167 | 138.4 Ų | 138.4 | 82% | 0.823 | 69% | 0.687 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 132.6 | 172.4 | -61.2 | -62.6 | -71.3 | 0 | 0 | 109.2 | I35 | I35-M37 HydrophobicContact CG2-SD 4.19Å; I35-M37 PolarHBondContact O-N 2.91Å |
| 38 | K | 83 | Confident | 73 | Confident | 191 Ų | 191 | 137 Ų | 137 | 83% | 0.83 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 141.6 | 168.1 | -71.8 | -178.2 | 177.3 | 178 | 0 | 109.3 | ||
| 39 | P | 78.6 | Confident | 74.3 | Confident | 110 Ų | 110 | 135.5 Ų | 135.5 | 71% | 0.714 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 141.5 | 174.1 | 23.8 | -31 | 0 | 0 | 0 | 110.6 | M41 | P39-M41 PolarHBondContact O-N 2.87Š|
| 40 | L | 73.9 | Confident | 75.2 | Confident | 175 Ų | 175 | 131.2 Ų | 131.2 | 92% | 0.916 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 116.7 | 172.4 | -70.4 | 165.2 | 0 | 0 | 0 | 108.2 | ||
| 41 | M | 76.7 | Confident | 76.4 | Confident | 153 Ų | 153 | 128.7 Ų | 128.7 | 75% | 0.754 | 64% | 0.641 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 133.3 | 169.8 | -69.6 | -62.8 | -58.1 | 0 | 0 | 108.4 | P39 | P39-M41 PolarHBondContact O-N 2.87Š|
| 42 | L | 74.3 | Confident | 77.4 | Confident | 56 Ų | 56 | 126.3 Ų | 126.3 | 29% | 0.293 | 64% | 0.635 | S | S | . | * | P | Polyproline II helix | trans | -69.3 | 146 | 169.1 | -60.7 | 173.7 | 0 | 0 | 0 | 108.2 | S44 R50 E53 I54 I57 | L42-S44 PolarHBondContact O-N 3.21Å; L42-R50 HydrophobicContact CB-CG 4.18Å; L42-R50 HydrophobicContact CD1-CG 3.25Å; L42-R50 HydrophobicContact CG-CG 4.32Å; L42-E53 HydrophobicContact CD2-CB 4.49Å; L42-I54 HydrophobicContact CD1-CD1 3.92Å; L42-I54 HydrophobicContact CD1-CG1 3.77Å; L42-I57 HydrophobicContact CD2-CD1 4Å |
| 43 | S | 71.3 | Confident | 78.2 | Confident | 117 Ų | 117 | 121.2 Ų | 121.2 | 82% | 0.818 | 61% | 0.612 | S | S | * | * | S | Bend | trans | -74.7 | -17.2 | -170.1 | -56.9 | 0 | 0 | 0 | 0 | 112.4 | E53 | S43-E53 PolarHBondContact N-OE2 2.97Š|
| 44 | S | 66.8 | Low | 78.8 | Confident | 20 Ų | 20 | 115.7 Ų | 115.7 | 14% | 0.14 | 58% | 0.582 | C | S | . | * | trans | -118.3 | 129.7 | -175.3 | 56.4 | 0 | 0 | 0 | 0 | 113.3 | L42 N46 T49 R50 E53 | L42-S44 PolarHBondContact O-N 3.21Å; S44-N46 PolarHBondContact O-N 2.83Å; S44-T49 VanDerWaalsContact OG-CB 3.24Å; S44-T49 WeakPolarHBondContact OG-CB 3.37Å; S44-T49 VanDerWaalsContact OG-CG2 3.25Å; S44-T49 WeakPolarHBondContact OG-CG2 3.23Å; S44-R50 PolarHBondContact OG-N 2.94Å; S44-E53 VanDerWaalsContact CB-OE1 3.27Å; S44-E53 WeakPolarHBondContact CB-OE1 3.36Å; S44-E53 PolarHBondContact N-OE1 3.1Å; S44-E53 PolarHBondContact OG-OE1 3.27Å | ||
| 45 | D | 76.6 | Confident | 79.2 | Confident | 170 Ų | 170 | 108.9 Ų | 108.9 | 91% | 0.909 | 57% | 0.567 | S | S | * | * | S | Bend | trans | -76.4 | -10.7 | 168.9 | -65.9 | -32.4 | 0 | 0 | 0 | 112.4 | ||
| 46 | N | 81.8 | Confident | 79.4 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 50% | 0.497 | 57% | 0.566 | S | S | . | * | S | Bend | trans | -83.4 | 120.5 | 178.7 | -178.6 | -6.1 | 0 | 0 | 0 | 110.6 | S44 L48 T49 R50 | S44-N46 PolarHBondContact O-N 2.83Å; N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.02Å; N46-L48 PolarHBondContact OD1-N 3.49Å; N46-T49 PolarHBondContact O-N 3.4Å; N46-T49 VanDerWaalsContact O-N 3.12Å; N46-R50 WeakPolarHBondContact O-CB 3.33Å; N46-R50 PolarHBondContact O-N 3.3Å |
| 47 | E | 81.9 | Confident | 79.2 | Confident | 93 Ų | 93 | 106.6 Ų | 106.6 | 44% | 0.435 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -48.7 | -44.1 | 179.9 | -173.1 | 62.8 | -135.2 | 0 | 0 | 113.4 | R50 Q51 | E47-R50 WeakPolarHBondContact O-CB 3.35Å; E47-R50 PolarHBondContact O-N 2.65Å; E47-R50 IonicContact OE1-CZ 3.56Å; E47-R50 IonicContact OE1-NE 2.6Å; E47-R50 IonicContact OE1-NH2 3.07Å; E47-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 IonicContact OE2-CZ 3.62Å; E47-R50 IonicContact OE2-NE 3.49Å; E47-R50 IonicContact OE2-NH1 3.12Å; E47-R50 IonicContact OE2-NH2 3.65Å; E47-R50 PolarHBondContact OE2-NH2 3.36Å; E47-Q51 WeakPolarHBondContact O-CG 3.24Å; E47-Q51 PolarHBondContact O-N 3.36Å; E47-Q51 PolarHBondContact OE1-NE2 3.42Å |
| 48 | L | 81.4 | Confident | 79.2 | Confident | 122 Ų | 122 | 106 Ų | 106 | 64% | 0.639 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66.6 | -44.7 | -177.2 | -175.4 | 68.1 | 0 | 0 | 0 | 111.6 | N46 R50 Q51 N52 | N46-L48 VanDerWaalsContact C-N 3.27Å; N46-L48 PolarHBondContact O-N 3.02Å; N46-L48 PolarHBondContact OD1-N 3.49Å; L48-R50 VanDerWaalsContact C-N 3.29Å; L48-Q51 PolarHBondContact O-N 3.25Å; L48-N52 PolarHBondContact O-N 2.99Å; L48-N52 PolarHBondContact O-ND2 2.79Å |
| 49 | T | 79.2 | Confident | 79.1 | Confident | 58 Ų | 58 | 100.1 Ų | 100.1 | 36% | 0.356 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 177.2 | -49.9 | 0 | 0 | 0 | 0 | 110.5 | S44 N46 Q51 N52 E53 | S44-T49 VanDerWaalsContact OG-CB 3.24Å; S44-T49 WeakPolarHBondContact OG-CB 3.37Å; S44-T49 VanDerWaalsContact OG-CG2 3.25Å; S44-T49 WeakPolarHBondContact OG-CG2 3.23Å; N46-T49 PolarHBondContact O-N 3.4Å; N46-T49 VanDerWaalsContact O-N 3.12Å; T49-Q51 PolarHBondContact O-N 2.83Å; T49-N52 WeakPolarHBondContact O-CB 3.35Å; T49-N52 PolarHBondContact O-N 3.2Å; T49-E53 WeakPolarHBondContact O-CG 3.48Å; T49-E53 PolarHBondContact O-N 2.93Å |
| 50 | R | 80.3 | Confident | 79 | Confident | 93 Ų | 93 | 97.8 Ų | 97.8 | 35% | 0.351 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -60.9 | -44.1 | 177 | -164 | -178.2 | 72 | 179.9 | 3 | 112.1 | L42 S44 N46 E47 L48 N52 E53 I54 | L42-R50 HydrophobicContact CB-CG 4.18Å; L42-R50 HydrophobicContact CD1-CG 3.25Å; L42-R50 HydrophobicContact CG-CG 4.32Å; S44-R50 PolarHBondContact OG-N 2.94Å; N46-R50 WeakPolarHBondContact O-CB 3.33Å; N46-R50 PolarHBondContact O-N 3.3Å; E47-R50 WeakPolarHBondContact O-CB 3.35Å; E47-R50 PolarHBondContact O-N 2.65Å; E47-R50 IonicContact OE1-CZ 3.56Å; E47-R50 IonicContact OE1-NE 2.6Å; E47-R50 IonicContact OE1-NH2 3.07Å; E47-R50 PolarHBondContact OE1-NH2 3.33Å; E47-R50 IonicContact OE2-CZ 3.62Å; E47-R50 IonicContact OE2-NE 3.49Å; E47-R50 IonicContact OE2-NH1 3.12Å; E47-R50 IonicContact OE2-NH2 3.65Å; E47-R50 PolarHBondContact OE2-NH2 3.36Å; L48-R50 VanDerWaalsContact C-N 3.29Å; R50-N52 VanDerWaalsContact C-N 3.32Å; R50-N52 PolarHBondContact O-N 2.93Å; R50-E53 PolarHBondContact O-N 2.86Å; R50-I54 HydrophobicContact CG-CD1 4.18Å; R50-I54 WeakPolarHBondContact O-CD1 3.49Å; R50-I54 VanDerWaalsContact O-CG1 3.23Å; R50-I54 WeakPolarHBondContact O-CG1 3.5Å; R50-I54 PolarHBondContact O-N 2.74Å |
| 51 | Q | 83 | Confident | 78.9 | Confident | 84 Ų | 84 | 94.7 Ų | 94.7 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.3 | -34.3 | 177 | -66.7 | -59.2 | -15.2 | 0 | 0 | 112.6 | E47 L48 T49 S55 | E47-Q51 WeakPolarHBondContact O-CG 3.24Å; E47-Q51 PolarHBondContact O-N 3.36Å; E47-Q51 PolarHBondContact OE1-NE2 3.42Å; L48-Q51 PolarHBondContact O-N 3.25Å; T49-Q51 PolarHBondContact O-N 2.83Å; Q51-S55 WeakPolarHBondContact O-CB 3.26Å; Q51-S55 PolarHBondContact O-N 3.44Å; Q51-S55 PolarHBondContact O-OG 3.41Å |
| 52 | N | 83.9 | Confident | 78.5 | Confident | 102 Ų | 102 | 95.5 Ų | 95.5 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.2 | -41.7 | 173.7 | -69.1 | -26.4 | 0 | 0 | 0 | 111.8 | L48 T49 R50 S55 Y56 | L48-N52 PolarHBondContact O-N 2.99Å; L48-N52 PolarHBondContact O-ND2 2.79Å; T49-N52 WeakPolarHBondContact O-CB 3.35Å; T49-N52 PolarHBondContact O-N 3.2Å; R50-N52 VanDerWaalsContact C-N 3.32Å; R50-N52 PolarHBondContact O-N 2.93Å; N52-S55 PolarHBondContact O-N 2.72Å; N52-Y56 WeakPolarHBondContact O-CB 3.43Å; N52-Y56 PolarHBondContact O-N 2.8Å |
| 53 | E | 81 | Confident | 78.1 | Confident | 43 Ų | 43 | 98 Ų | 98 | 20% | 0.201 | 54% | 0.535 | C | S | . | . | H | α-helix | trans | -62.5 | -44.7 | 174.6 | -74.2 | 176.6 | -142.9 | 0 | 0 | 111.4 | L42 S43 S44 T49 R50 Y56 I57 | L42-E53 HydrophobicContact CD2-CB 4.49Å; S43-E53 PolarHBondContact N-OE2 2.97Å; S44-E53 VanDerWaalsContact CB-OE1 3.27Å; S44-E53 WeakPolarHBondContact CB-OE1 3.36Å; S44-E53 PolarHBondContact N-OE1 3.1Å; S44-E53 PolarHBondContact OG-OE1 3.27Å; T49-E53 WeakPolarHBondContact O-CG 3.48Å; T49-E53 PolarHBondContact O-N 2.93Å; R50-E53 PolarHBondContact O-N 2.86Å; E53-Y56 PolarHBondContact O-N 3.2Å; E53-I57 VanDerWaalsContact O-CG1 3.26Å; E53-I57 WeakPolarHBondContact O-CG1 3.35Å; E53-I57 PolarHBondContact O-N 3.26Å |
| 54 | I | 82 | Confident | 77.9 | Confident | 43 Ų | 43 | 100 Ų | 100 | 22% | 0.221 | 53% | 0.532 | C | S | . | . | H | α-helix | trans | -59.2 | -51.2 | 175.3 | -69.3 | 164.2 | 0 | 0 | 0 | 110.1 | L42 R50 Y56 I57 E58 | L42-I54 HydrophobicContact CD1-CD1 3.92Å; L42-I54 HydrophobicContact CD1-CG1 3.77Å; R50-I54 HydrophobicContact CG-CD1 4.18Å; R50-I54 WeakPolarHBondContact O-CD1 3.49Å; R50-I54 VanDerWaalsContact O-CG1 3.23Å; R50-I54 WeakPolarHBondContact O-CG1 3.5Å; R50-I54 PolarHBondContact O-N 2.74Å; I54-Y56 VanDerWaalsContact C-N 3.26Å; I54-Y56 PolarHBondContact O-N 2.88Å; I54-I57 PolarHBondContact O-N 2.86Å; I54-I57 VanDerWaalsContact O-N 3.1Å; I54-E58 HydrophobicContact CG2-CG 4.14Å; I54-E58 WeakPolarHBondContact CG2-OE1 3.28Å; I54-E58 WeakPolarHBondContact O-CB 3.27Å; I54-E58 WeakPolarHBondContact O-CG 3.25Å; I54-E58 PolarHBondContact O-N 3.07Å |
| 55 | S | 84.1 | Confident | 78.1 | Confident | 71 Ų | 71 | 106.9 Ų | 106.9 | 50% | 0.497 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -58.9 | -38 | 179.3 | -59.3 | 0 | 0 | 0 | 0 | 112.1 | Q51 N52 G59 | Q51-S55 WeakPolarHBondContact O-CB 3.26Å; Q51-S55 PolarHBondContact O-N 3.44Å; Q51-S55 PolarHBondContact O-OG 3.41Å; N52-S55 PolarHBondContact O-N 2.72Å; S55-G59 PolarHBondContact O-N 3.11Å |
| 56 | Y | 82.9 | Confident | 77.5 | Confident | 178 Ų | 178 | 103.8 Ų | 103.8 | 70% | 0.698 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -66.4 | -43.3 | 175.7 | 179 | -93.3 | 0 | 0 | 0 | 112.2 | N52 E53 I54 S60 | N52-Y56 WeakPolarHBondContact O-CB 3.43Å; N52-Y56 PolarHBondContact O-N 2.8Å; E53-Y56 PolarHBondContact O-N 3.2Å; I54-Y56 VanDerWaalsContact C-N 3.26Å; I54-Y56 PolarHBondContact O-N 2.88Å; Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 2.81Å |
| 57 | I | 78.6 | Confident | 76.7 | Confident | 100 Ų | 100 | 109.2 Ų | 109.2 | 51% | 0.513 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.8 | -42.9 | 178.4 | -66.8 | 164.1 | 0 | 0 | 0 | 110.6 | L42 E53 I54 S60 | L42-I57 HydrophobicContact CD2-CD1 4Å; E53-I57 VanDerWaalsContact O-CG1 3.26Å; E53-I57 WeakPolarHBondContact O-CG1 3.35Å; E53-I57 PolarHBondContact O-N 3.26Å; I54-I57 PolarHBondContact O-N 2.86Å; I54-I57 VanDerWaalsContact O-N 3.1Å; I57-S60 PolarHBondContact O-N 2.92Å |
| 58 | E | 82.1 | Confident | 75.4 | Confident | 154 Ų | 154 | 110.1 Ų | 110.1 | 72% | 0.72 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -66.7 | -36 | 178.3 | -71.8 | 178.3 | 172 | 0 | 0 | 112.3 | I54 S60 | I54-E58 HydrophobicContact CG2-CG 4.14Å; I54-E58 WeakPolarHBondContact CG2-OE1 3.28Å; I54-E58 WeakPolarHBondContact O-CB 3.27Å; I54-E58 WeakPolarHBondContact O-CG 3.25Å; I54-E58 PolarHBondContact O-N 3.07Å; E58-S60 VanDerWaalsContact C-N 3.35Å |
| 59 | G | 79.8 | Confident | 74.3 | Confident | 67 Ų | 67 | 109.4 Ų | 109.4 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.5 | -20.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S55 S61 | S55-G59 PolarHBondContact O-N 3.11Å; G59-S61 PolarHBondContact O-N 3.38Å |
| 60 | S | 77.7 | Confident | 73.6 | Confident | 61 Ų | 61 | 112.1 Ų | 112.1 | 43% | 0.427 | 61% | 0.613 | S | S | . | * | S | Bend | trans | -78.1 | 114.9 | 176 | 174.5 | 0 | 0 | 0 | 0 | 109.5 | Y56 I57 E58 F62 | Y56-S60 VanDerWaalsContact O-CB 3.28Å; Y56-S60 WeakPolarHBondContact O-CB 3.49Å; Y56-S60 PolarHBondContact O-N 2.81Å; I57-S60 PolarHBondContact O-N 2.92Å; E58-S60 VanDerWaalsContact C-N 3.35Å; S60-F62 PolarHBondContact O-N 2.88Å |
| 61 | S | 71.3 | Confident | 72.4 | Confident | 111 Ų | 111 | 117.1 Ų | 117.1 | 78% | 0.776 | 63% | 0.632 | S | S | * | * | trans | -68.1 | 78.3 | 174.2 | 50.7 | 0 | 0 | 0 | 0 | 111.3 | G59 T63 | G59-S61 PolarHBondContact O-N 3.38Å; S61-T63 PolarHBondContact O-N 3.12Å | ||
| 62 | F | 68.7 | Low | 71.1 | Confident | 169 Ų | 169 | 122.2 Ų | 122.2 | 74% | 0.741 | 65% | 0.653 | S | S | * | * | trans | -75 | 95.8 | 171.5 | -177.5 | -100.1 | 0 | 0 | 0 | 109.4 | S60 Q64 | S60-F62 PolarHBondContact O-N 2.88Å; F62-Q64 HydrophobicContact CE1-CB 3.93Å | ||
| 63 | T | 66 | Low | 69.4 | Low | 108 Ų | 108 | 125.6 Ų | 125.6 | 66% | 0.663 | 67% | 0.665 | S | S | * | * | trans | -85.9 | 108.9 | 165.3 | 53.1 | 0 | 0 | 0 | 0 | 109.1 | S61 K65 | S61-T63 PolarHBondContact O-N 3.12Å; T63-K65 PolarHBondContact O-N 3.12Å; T63-K65 VanDerWaalsContact O-N 3.11Å | ||
| 64 | Q | 66.2 | Low | 68 | Low | 161 Ų | 161 | 131.1 Ų | 131.1 | 75% | 0.752 | 70% | 0.696 | S | S | * | * | trans | -60 | 112.9 | 168.9 | -179 | 176.1 | -27.7 | 0 | 0 | 108.7 | F62 S66 | F62-Q64 HydrophobicContact CE1-CB 3.93Å; Q64-S66 PolarHBondContact O-N 2.89Å | ||
| 65 | K | 72.9 | Confident | 66.3 | Low | 164 Ų | 164 | 134.8 Ų | 134.8 | 71% | 0.713 | 72% | 0.721 | S | S | * | * | trans | -76.4 | 121.1 | 173.6 | -62.9 | -163 | 179.3 | -161.3 | 0 | 108.8 | T63 F67 | T63-K65 PolarHBondContact O-N 3.12Å; T63-K65 VanDerWaalsContact O-N 3.11Å; K65-F67 PolarHBondContact O-N 3.49Å | ||
| 66 | S | 63 | Low | 64.7 | Low | 105 Ų | 105 | 138 Ų | 138 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | -60.6 | 118.3 | 169.9 | -59.9 | 0 | 0 | 0 | 0 | 109.4 | Q64 S68 | Q64-S66 PolarHBondContact O-N 2.89Å; S66-S68 PolarHBondContact O-N 3.25Å | ||
| 67 | F | 65.1 | Low | 62.9 | Low | 207 Ų | 207 | 136.5 Ų | 136.5 | 91% | 0.908 | 74% | 0.735 | S | S | * | * | trans | -80.6 | 99 | 171.3 | -70 | -82.3 | 0 | 0 | 0 | 108.9 | K65 | K65-F67 PolarHBondContact O-N 3.49Š| ||
| 68 | S | 55.5 | Low | 61.4 | Low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | -82.9 | 114.3 | 167 | -66 | 0 | 0 | 0 | 0 | 109.3 | S66 S70 | S66-S68 PolarHBondContact O-N 3.25Å; S68-S70 PolarHBondContact O-N 3.22Å | ||
| 69 | S | 56.7 | Low | 60.1 | Low | 107 Ų | 107 | 133.2 Ų | 133.2 | 75% | 0.748 | 73% | 0.729 | S | S | * | * | trans | -67.6 | 113.4 | 172.5 | 178.4 | 0 | 0 | 0 | 0 | 109.8 | R71 | S69-R71 PolarHBondContact O-N 3.32Å; S69-R71 WeakPolarHBondContact OG-CB 3.47Å; S69-R71 PolarHBondContact OG-N 3.38Å | ||
| 70 | S | 64.2 | Low | 58.6 | Low | 115 Ų | 115 | 136.8 Ų | 136.8 | 80% | 0.804 | 73% | 0.732 | S | S | * | * | trans | -80.8 | 11.5 | 172.3 | 179.2 | 0 | 0 | 0 | 0 | 112.8 | S68 K72 | S68-S70 PolarHBondContact O-N 3.22Å; S70-K72 PolarHBondContact O-N 3.38Å | ||
| 71 | R | 56.7 | Low | 57.2 | Low | 197 Ų | 197 | 137.6 Ų | 137.6 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | trans | -74.1 | 92.2 | -170.7 | -146.8 | 179.7 | -135.3 | -136.6 | 4.4 | 110.1 | S69 Q73 | S69-R71 PolarHBondContact O-N 3.32Å; S69-R71 WeakPolarHBondContact OG-CB 3.47Å; S69-R71 PolarHBondContact OG-N 3.38Å; R71-Q73 PolarHBondContact O-N 3.18Å | ||
| 72 | K | 54.4 | Low | 56.1 | Low | 191 Ų | 191 | 141.7 Ų | 141.7 | 83% | 0.83 | 74% | 0.738 | S | S | * | * | trans | -57 | 117.6 | 156.3 | -67.8 | -168.9 | 177.7 | -174.4 | 0 | 106.5 | S70 | S70-K72 PolarHBondContact O-N 3.38Š| ||
| 73 | Q | 48.2 | Very low | 55 | Low | 173 Ų | 173 | 138.8 Ų | 138.8 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -59.4 | 149 | 168.5 | -62.9 | 176.5 | -5.2 | 0 | 0 | 107.3 | R71 | R71-Q73 PolarHBondContact O-N 3.18Š|
| 74 | D | 52 | Low | 54.2 | Low | 160 Ų | 160 | 144.1 Ų | 144.1 | 86% | 0.856 | 75% | 0.746 | S | S | * | * | trans | 92.9 | 41.1 | 177.6 | -48.9 | -26.2 | 0 | 0 | 0 | 118.9 | ||||
| 75 | T | 46.9 | Very low | 53.2 | Low | 119 Ų | 119 | 141.7 Ų | 141.7 | 73% | 0.73 | 74% | 0.744 | S | S | * | * | trans | -126.3 | 97.3 | 151.6 | -39.8 | 0 | 0 | 0 | 0 | 109 | L77 | T75-L77 PolarHBondContact O-N 3.49Å; T75-L77 VanDerWaalsContact O-N 3.15Å | ||
| 76 | L | 50.2 | Low | 51.7 | Low | 140 Ų | 140 | 138.5 Ų | 138.5 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -43.1 | 121.4 | 162 | -81.1 | 156 | 0 | 0 | 0 | 107.8 | N78 | L76-N78 PolarHBondContact O-N 3.21Š| ||
| 77 | L | 45.8 | Very low | 50.6 | Low | 145 Ų | 145 | 135.7 Ų | 135.7 | 76% | 0.759 | 74% | 0.737 | S | S | * | * | trans | -62.7 | 83.7 | 177.2 | -66.1 | 168.2 | 0 | 0 | 0 | 108.9 | T75 P79 | T75-L77 PolarHBondContact O-N 3.49Å; T75-L77 VanDerWaalsContact O-N 3.15Å; L77-P79 WeakPolarHBondContact O-CD 3.29Å | ||
| 78 | N | 45.6 | Very low | 49.5 | Very low | 87 Ų | 87 | 131.8 Ų | 131.8 | 47% | 0.465 | 73% | 0.729 | S | S | . | * | trans | -95.7 | 107.7 | 169.1 | -159.7 | 15.7 | 0 | 0 | 0 | 106.1 | L76 D80 S81 | L76-N78 PolarHBondContact O-N 3.21Å; N78-D80 PolarHBondContact O-N 2.97Å; N78-S81 WeakPolarHBondContact CB-OG 3.32Å; N78-S81 PolarHBondContact ND2-OG 3.42Å; N78-S81 PolarHBondContact O-N 3.06Å; N78-S81 VanDerWaalsContact O-N 3.13Å | ||
| 79 | P | 55 | Low | 49.4 | Very low | 99 Ų | 99 | 133.9 Ų | 133.9 | 64% | 0.643 | 73% | 0.732 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.7 | -11.3 | -177.4 | 24.3 | -31.9 | 0 | 0 | 0 | 113.1 | L77 | L77-P79 WeakPolarHBondContact O-CD 3.29Š|
| 80 | D | 48.5 | Very low | 49.3 | Very low | 142 Ų | 142 | 133.2 Ų | 133.2 | 76% | 0.759 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.1 | 2.4 | -179.6 | -57.9 | -37.2 | 0 | 0 | 0 | 114.1 | N78 | N78-D80 PolarHBondContact O-N 2.97Š|
| 81 | S | 49.2 | Very low | 48.9 | Very low | 78 Ų | 78 | 129.3 Ų | 129.3 | 55% | 0.545 | 71% | 0.705 | S | S | . | * | trans | -101.6 | 8.8 | -176.4 | -53.7 | 0 | 0 | 0 | 0 | 114.9 | N78 S83 | N78-S81 WeakPolarHBondContact CB-OG 3.32Å; N78-S81 PolarHBondContact ND2-OG 3.42Å; N78-S81 PolarHBondContact O-N 3.06Å; N78-S81 VanDerWaalsContact O-N 3.13Å; S81-S83 VanDerWaalsContact C-N 3.3Å; S81-S83 PolarHBondContact O-N 2.85Å | ||
| 82 | Y | 48 | Very low | 48.9 | Very low | 196 Ų | 196 | 126.8 Ų | 126.8 | 77% | 0.769 | 70% | 0.701 | S | S | * | * | trans | -71.7 | 91.3 | 169.1 | -72.8 | -79 | 0 | 0 | 0 | 109.2 | R84 | Y82-R84 VanDerWaalsContact C-N 3.25Å; Y82-R84 PolarHBondContact O-N 3.07Å | ||
| 83 | S | 46 | Very low | 49.2 | Very low | 108 Ų | 108 | 125 Ų | 125 | 76% | 0.755 | 69% | 0.69 | S | S | * | * | trans | -59 | 99.2 | 158 | 70.4 | 0 | 0 | 0 | 0 | 106.7 | S81 P85 | S81-S83 VanDerWaalsContact C-N 3.3Å; S81-S83 PolarHBondContact O-N 2.85Å; S83-P85 VanDerWaalsContact O-CD 3.26Å; S83-P85 WeakPolarHBondContact O-CD 3.28Å | ||
| 84 | R | 48.8 | Very low | 49.8 | Very low | 220 Ų | 220 | 120.3 Ų | 120.3 | 83% | 0.83 | 68% | 0.676 | S | S | * | * | trans | -39.7 | 112.1 | 167.3 | 175.9 | 174.1 | 169.2 | -125.3 | 1.1 | 107.8 | Y82 A86 | Y82-R84 VanDerWaalsContact C-N 3.25Å; Y82-R84 PolarHBondContact O-N 3.07Å; R84-A86 VanDerWaalsContact C-N 3.3Å; R84-A86 PolarHBondContact O-N 2.83Å | ||
| 85 | P | 45.4 | Very low | 50.6 | Low | 110 Ų | 110 | 116.4 Ų | 116.4 | 71% | 0.714 | 66% | 0.659 | S | S | * | * | trans | -61.6 | 106.8 | 167 | 24.5 | -28.5 | 0 | 0 | 0 | 105.3 | S83 G87 | S83-P85 VanDerWaalsContact O-CD 3.26Å; S83-P85 WeakPolarHBondContact O-CD 3.28Å; P85-G87 PolarHBondContact O-N 3.14Å | ||
| 86 | A | 41.1 | Very low | 51.8 | Low | 98 Ų | 98 | 116 Ų | 116 | 81% | 0.81 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -66.4 | 88.7 | 169.3 | 0 | 0 | 0 | 0 | 0 | 106.1 | R84 | R84-A86 VanDerWaalsContact C-N 3.3Å; R84-A86 PolarHBondContact O-N 2.83Å |
| 87 | G | 38.7 | Very low | 52.9 | Low | 46 Ų | 46 | 113.5 Ų | 113.5 | 47% | 0.474 | 64% | 0.636 | S | S | . | * | S | Bend | trans | 154 | 128.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | P85 | P85-G87 PolarHBondContact O-N 3.14Š|
| 88 | V | 43 | Very low | 54.1 | Low | 124 Ų | 124 | 112.9 Ų | 112.9 | 75% | 0.752 | 63% | 0.633 | S | S | * | * | trans | 63.8 | 95.8 | 159.7 | -87.3 | 0 | 0 | 0 | 0 | 117.7 | S90 | V88-S90 PolarHBondContact O-N 3.32Å; V88-S90 PolarHBondContact O-OG 3.1Å | ||
| 89 | N | 53.4 | Low | 55.4 | Low | 157 Ų | 157 | 114.8 Ų | 114.8 | 84% | 0.84 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -25.1 | 15.3 | 153.9 | -55.6 | -17.7 | 0 | 0 | 0 | 120.2 | ||
| 90 | S | 55.2 | Low | 56 | Low | 92 Ų | 92 | 118.1 Ų | 118.1 | 64% | 0.643 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -18.1 | -179.8 | 66.5 | 0 | 0 | 0 | 0 | 114.2 | V88 | V88-S90 PolarHBondContact O-N 3.32Å; V88-S90 PolarHBondContact O-OG 3.1Å |
| 91 | G | 55.4 | Low | 57.2 | Low | 33 Ų | 33 | 114.1 Ų | 114.1 | 34% | 0.34 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -76.5 | -25.4 | -175.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y93 S94 T95 | G91-Y93 VanDerWaalsContact C-N 3.29Å; G91-Y93 PolarHBondContact O-N 3.4Å; G91-S94 PolarHBondContact O-N 2.93Å; G91-S94 PolarHBondContact O-OG 3.43Å; G91-T95 WeakPolarHBondContact O-CG2 3.38Å; G91-T95 PolarHBondContact O-N 2.85Å; G91-T95 PolarHBondContact O-OG1 3.31Å |
| 92 | H | 56.7 | Low | 58.4 | Low | 144 Ų | 144 | 116.2 Ų | 116.2 | 67% | 0.667 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.5 | -31.4 | -175.8 | -76.9 | 80.7 | 0 | 0 | 0 | 112.6 | T95 M96 | H92-T95 WeakPolarHBondContact CA-OG1 3.19Å; H92-T95 PolarHBondContact O-OG1 3.18Å; H92-M96 VanDerWaalsContact O-CG 3.3Å; H92-M96 WeakPolarHBondContact O-CG 3.21Å; H92-M96 PolarHBondContact O-N 3.25Å; H92-M96 VanDerWaalsContact O-N 3.12Å |
| 93 | Y | 60.2 | Low | 59.4 | Low | 154 Ų | 154 | 112.2 Ų | 112.2 | 60% | 0.604 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -72.3 | -41.2 | 179.8 | -166.5 | -107.3 | 0 | 0 | 0 | 111.6 | G91 M96 I97 | G91-Y93 VanDerWaalsContact C-N 3.29Å; G91-Y93 PolarHBondContact O-N 3.4Å; Y93-M96 HydrophobicContact CD2-CE 4.08Å; Y93-M96 PolarHBondContact O-N 3.01Å; Y93-I97 HydrophobicContact CD1-CD1 3.5Å; Y93-I97 VanDerWaalsContact CD1-CD1 3.5Å; Y93-I97 HydrophobicContact CD1-CG1 4.4Å; Y93-I97 HydrophobicContact CE1-CD1 3.2Å; Y93-I97 HydrophobicContact CE1-CG1 4.19Å; Y93-I97 HydrophobicContact CG-CD1 4.36Å; Y93-I97 WeakPolarHBondContact O-CG1 3.36Å; Y93-I97 PolarHBondContact O-N 3.44Å |
| 94 | S | 61.5 | Low | 60.7 | Low | 74 Ų | 74 | 108.3 Ų | 108.3 | 52% | 0.517 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.7 | -37 | 178.7 | 84.5 | 0 | 0 | 0 | 0 | 111.6 | G91 I97 L98 | G91-S94 PolarHBondContact O-N 2.93Å; G91-S94 PolarHBondContact O-OG 3.43Å; S94-I97 PolarHBondContact O-N 2.93Å; S94-L98 WeakPolarHBondContact O-CB 3.42Å; S94-L98 PolarHBondContact O-N 3.33Å |
| 95 | T | 68.4 | Low | 61.8 | Low | 79 Ų | 79 | 102 Ų | 102 | 49% | 0.485 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -65.3 | -42.5 | 175.8 | 55.3 | 0 | 0 | 0 | 0 | 111.5 | G91 H92 L98 E99 | G91-T95 WeakPolarHBondContact O-CG2 3.38Å; G91-T95 PolarHBondContact O-N 2.85Å; G91-T95 PolarHBondContact O-OG1 3.31Å; H92-T95 WeakPolarHBondContact CA-OG1 3.19Å; H92-T95 PolarHBondContact O-OG1 3.18Å; T95-L98 PolarHBondContact O-N 2.9Å; T95-E99 VanDerWaalsContact O-CB 3.31Å; T95-E99 WeakPolarHBondContact O-CB 3.25Å; T95-E99 PolarHBondContact O-N 3.35Å |
| 96 | M | 72.1 | Confident | 63 | Low | 110 Ų | 110 | 101.6 Ų | 101.6 | 54% | 0.542 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.3 | -40.9 | 176.2 | -75.3 | -170.4 | -54 | 0 | 0 | 112.3 | H92 Y93 L98 R100 | H92-M96 VanDerWaalsContact O-CG 3.3Å; H92-M96 WeakPolarHBondContact O-CG 3.21Å; H92-M96 PolarHBondContact O-N 3.25Å; H92-M96 VanDerWaalsContact O-N 3.12Å; Y93-M96 HydrophobicContact CD2-CE 4.08Å; Y93-M96 PolarHBondContact O-N 3.01Å; M96-L98 VanDerWaalsContact C-N 3.34Å; M96-R100 VanDerWaalsContact O-CB 3.25Å; M96-R100 WeakPolarHBondContact O-CB 3.37Å; M96-R100 PolarHBondContact O-N 2.87Å |
| 97 | I | 73.4 | Confident | 64.5 | Low | 87 Ų | 87 | 104.8 Ų | 104.8 | 45% | 0.446 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -63.8 | -43 | 175.4 | -69.5 | 168.3 | 0 | 0 | 0 | 110.5 | Y93 S94 R100 A101 | Y93-I97 HydrophobicContact CD1-CD1 3.5Å; Y93-I97 VanDerWaalsContact CD1-CD1 3.5Å; Y93-I97 HydrophobicContact CD1-CG1 4.4Å; Y93-I97 HydrophobicContact CE1-CD1 3.2Å; Y93-I97 HydrophobicContact CE1-CG1 4.19Å; Y93-I97 HydrophobicContact CG-CD1 4.36Å; Y93-I97 WeakPolarHBondContact O-CG1 3.36Å; Y93-I97 PolarHBondContact O-N 3.44Å; S94-I97 PolarHBondContact O-N 2.93Å; I97-R100 PolarHBondContact O-N 3.29Å; I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.05Å |
| 98 | L | 70.9 | Confident | 65.6 | Low | 133 Ų | 133 | 104.4 Ų | 104.4 | 70% | 0.696 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -66.4 | -41.6 | -179 | -156.6 | 78.6 | 0 | 0 | 0 | 111.5 | S94 T95 M96 A101 H102 | S94-L98 WeakPolarHBondContact O-CB 3.42Å; S94-L98 PolarHBondContact O-N 3.33Å; T95-L98 PolarHBondContact O-N 2.9Å; M96-L98 VanDerWaalsContact C-N 3.34Å; L98-A101 PolarHBondContact O-N 3.44Å; L98-H102 WeakPolarHBondContact O-CB 3.32Å; L98-H102 PolarHBondContact O-N 2.86Å |
| 99 | E | 71.9 | Confident | 66.6 | Low | 127 Ų | 127 | 106.8 Ų | 106.8 | 59% | 0.593 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -64.5 | -41.6 | 174.8 | -168.4 | 173.3 | -162 | 0 | 0 | 111.1 | T95 H102 E103 | T95-E99 VanDerWaalsContact O-CB 3.31Å; T95-E99 WeakPolarHBondContact O-CB 3.25Å; T95-E99 PolarHBondContact O-N 3.35Å; E99-H102 WeakPolarHBondContact O-CB 3.39Å; E99-H102 PolarHBondContact O-N 3.12Å; E99-E103 PolarHBondContact O-N 2.86Å |
| 100 | R | 68.2 | Low | 66.6 | Low | 169 Ų | 169 | 103.9 Ų | 103.9 | 64% | 0.638 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.9 | -41.1 | 175 | -170.2 | 179 | -166.3 | -176.3 | 4.2 | 112.9 | M96 I97 H102 E103 A104 | M96-R100 VanDerWaalsContact O-CB 3.25Å; M96-R100 WeakPolarHBondContact O-CB 3.37Å; M96-R100 PolarHBondContact O-N 2.87Å; I97-R100 PolarHBondContact O-N 3.29Å; R100-H102 VanDerWaalsContact C-N 3.27Å; R100-H102 PolarHBondContact O-N 2.83Å; R100-E103 PolarHBondContact O-N 3.15Å; R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.37Å |
| 101 | A | 73.4 | Confident | 66.6 | Low | 58 Ų | 58 | 105.1 Ų | 105.1 | 48% | 0.479 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65 | -35.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.2 | I97 L98 A105 | I97-A101 WeakPolarHBondContact O-CB 3.45Å; I97-A101 PolarHBondContact O-N 3.05Å; L98-A101 PolarHBondContact O-N 3.44Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.35Å |
| 102 | H | 75.1 | Confident | 66.5 | Low | 121 Ų | 121 | 108.5 Ų | 108.5 | 56% | 0.56 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -68.4 | -45.1 | 175 | -168.3 | 94.2 | 0 | 0 | 0 | 112.1 | L98 E99 R100 A105 I106 | L98-H102 WeakPolarHBondContact O-CB 3.32Å; L98-H102 PolarHBondContact O-N 2.86Å; E99-H102 WeakPolarHBondContact O-CB 3.39Å; E99-H102 PolarHBondContact O-N 3.12Å; R100-H102 VanDerWaalsContact C-N 3.27Å; R100-H102 PolarHBondContact O-N 2.83Å; H102-A105 PolarHBondContact O-N 3.39Å; H102-I106 VanDerWaalsContact CD2-CD1 3.45Å; H102-I106 WeakPolarHBondContact CD2-CD1 3.3Å; H102-I106 WeakPolarHBondContact NE2-CD1 3.31Å; H102-I106 WeakPolarHBondContact O-CG1 3.24Å; H102-I106 PolarHBondContact O-N 3.41Å; H102-I106 VanDerWaalsContact O-N 3.1Å |
| 103 | E | 69.1 | Low | 66.4 | Low | 112 Ų | 112 | 107 Ų | 107 | 52% | 0.523 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -63.7 | -45.4 | 175.8 | -77.3 | -160.3 | 156.8 | 0 | 0 | 112.1 | E99 R100 A105 I106 F107 | E99-E103 PolarHBondContact O-N 2.86Å; R100-E103 PolarHBondContact O-N 3.15Å; E103-A105 PolarHBondContact O-N 3.33Å; E103-I106 PolarHBondContact O-N 2.7Å; E103-I106 VanDerWaalsContact O-N 3.14Å; E103-F107 HydrophobicContact CB-CD2 4.48Å; E103-F107 PolarHBondContact O-N 3.36Å |
| 104 | A | 72 | Confident | 66.1 | Low | 27 Ų | 27 | 105.9 Ų | 105.9 | 22% | 0.223 | 59% | 0.591 | C | S | . | * | H | α-helix | trans | -62 | -33.1 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | R100 G108 | R100-A104 WeakPolarHBondContact O-CB 3.4Å; R100-A104 PolarHBondContact O-N 3.37Å; A104-G108 CarbonylContact O-C 3.57Å; A104-G108 WeakPolarHBondContact O-CA 3.46Å; A104-G108 PolarHBondContact O-N 3.12Å; A104-G108 VanDerWaalsContact O-N 3.07Å |
| 105 | A | 71.9 | Confident | 65.6 | Low | 87 Ų | 87 | 106 Ų | 106 | 72% | 0.719 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.7 | -31.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | A101 H102 E103 | A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.33Å; A101-A105 PolarHBondContact O-N 3.35Å; H102-A105 PolarHBondContact O-N 3.39Å; E103-A105 PolarHBondContact O-N 3.33Å |
| 106 | I | 71.7 | Confident | 64.7 | Low | 101 Ų | 101 | 107.6 Ų | 107.6 | 52% | 0.518 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -87.3 | -45.9 | -179 | -66.7 | 177.7 | 0 | 0 | 0 | 112 | H102 E103 | H102-I106 VanDerWaalsContact CD2-CD1 3.45Å; H102-I106 WeakPolarHBondContact CD2-CD1 3.3Å; H102-I106 WeakPolarHBondContact NE2-CD1 3.31Å; H102-I106 WeakPolarHBondContact O-CG1 3.24Å; H102-I106 PolarHBondContact O-N 3.41Å; H102-I106 VanDerWaalsContact O-N 3.1Å; E103-I106 PolarHBondContact O-N 2.7Å; E103-I106 VanDerWaalsContact O-N 3.14Å |
| 107 | F | 73.1 | Confident | 63.8 | Low | 165 Ų | 165 | 107 Ų | 107 | 72% | 0.724 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -106.3 | -4 | -169.2 | -60.6 | -69.3 | 0 | 0 | 0 | 113.6 | E103 | E103-F107 HydrophobicContact CB-CD2 4.48Å; E103-F107 PolarHBondContact O-N 3.36Å |
| 108 | G | 61.8 | Low | 62.6 | Low | 38 Ų | 38 | 110.2 Ų | 110.2 | 39% | 0.392 | 62% | 0.619 | S | S | . | * | trans | 75.6 | 170.1 | -169.4 | 0 | 0 | 0 | 0 | 0 | 112 | A104 S110 | A104-G108 CarbonylContact O-C 3.57Å; A104-G108 WeakPolarHBondContact O-CA 3.46Å; A104-G108 PolarHBondContact O-N 3.12Å; A104-G108 VanDerWaalsContact O-N 3.07Å; G108-S110 PolarHBondContact O-N 2.91Å | ||
| 109 | H | 62.8 | Low | 61.2 | Low | 174 Ų | 174 | 106.9 Ų | 106.9 | 81% | 0.806 | 62% | 0.617 | S | S | * | * | trans | -70.4 | 112.5 | 177.2 | -70.8 | -118.9 | 0 | 0 | 0 | 109.3 | S111 | H109-S111 PolarHBondContact O-N 3.32Š| ||
| 110 | S | 54.3 | Low | 59.8 | Low | 97 Ų | 97 | 108 Ų | 108 | 68% | 0.678 | 63% | 0.633 | S | S | * | * | trans | -60.6 | 128.1 | 170.1 | 173.5 | 0 | 0 | 0 | 0 | 110 | G108 V112 | G108-S110 PolarHBondContact O-N 2.91Å; S110-V112 PolarHBondContact O-N 3.18Å; S110-V112 PolarHBondContact OG-N 3.29Å | ||
| 111 | S | 53.9 | Low | 58.6 | Low | 117 Ų | 117 | 103.4 Ų | 103.4 | 82% | 0.818 | 62% | 0.621 | S | S | * | * | trans | -77.5 | -0.1 | 175.9 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | H109 P113 | H109-S111 PolarHBondContact O-N 3.32Å; S111-P113 VanDerWaalsContact O-CD 3.29Å; S111-P113 WeakPolarHBondContact O-CD 3.46Å | ||
| 112 | V | 54.4 | Low | 57.6 | Low | 104 Ų | 104 | 106.5 Ų | 106.5 | 63% | 0.63 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -78.6 | 114.4 | 179.5 | -176.4 | 0 | 0 | 0 | 0 | 108.7 | S110 L114 | S110-V112 PolarHBondContact O-N 3.18Å; S110-V112 PolarHBondContact OG-N 3.29Å; V112-L114 PolarHBondContact O-N 3.13Å |
| 113 | P | 54.2 | Low | 56.3 | Low | 114 Ų | 114 | 103.9 Ų | 103.9 | 74% | 0.74 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 126.5 | 172.7 | -9.9 | 24.3 | 0 | 0 | 0 | 108 | S111 | S111-P113 VanDerWaalsContact O-CD 3.29Å; S111-P113 WeakPolarHBondContact O-CD 3.46Å |
| 114 | L | 54.1 | Low | 55.3 | Low | 130 Ų | 130 | 106.3 Ų | 106.3 | 68% | 0.681 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 139.6 | 170.7 | -76.6 | 157.6 | 0 | 0 | 0 | 108.6 | V112 S116 | V112-L114 PolarHBondContact O-N 3.13Å; L114-S116 PolarHBondContact O-N 2.73Å |
| 115 | P | 51.6 | Low | 54.1 | Low | 75 Ų | 75 | 107.5 Ų | 107.5 | 49% | 0.487 | 66% | 0.662 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 136.5 | 170.1 | 24.7 | -32.8 | 0 | 0 | 0 | 108.5 | I117 | P115-I117 HydrophobicContact CB-CD1 3.96Å; P115-I117 HydrophobicContact CB-CG1 3.92Å; P115-I117 HydrophobicContact CG-CD1 3.67Å; P115-I117 HydrophobicContact CG-CG1 4.08Å; P115-I117 PolarHBondContact O-N 2.99Å |
| 116 | S | 49.6 | Very low | 53 | Low | 113 Ų | 113 | 111.2 Ų | 111.2 | 79% | 0.79 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -65.3 | 66.4 | 179.7 | 179.8 | 0 | 0 | 0 | 0 | 111.3 | L114 | L114-S116 PolarHBondContact O-N 2.73Š|
| 117 | I | 52.4 | Low | 52 | Low | 99 Ų | 99 | 114 Ų | 114 | 51% | 0.508 | 68% | 0.678 | S | S | . | * | trans | -103.1 | -12.7 | 176.2 | -42.7 | 172.6 | 0 | 0 | 0 | 109.8 | P115 | P115-I117 HydrophobicContact CB-CD1 3.96Å; P115-I117 HydrophobicContact CB-CG1 3.92Å; P115-I117 HydrophobicContact CG-CD1 3.67Å; P115-I117 HydrophobicContact CG-CG1 4.08Å; P115-I117 PolarHBondContact O-N 2.99Å | ||
| 118 | L | 47.4 | Very low | 50.8 | Low | 153 Ų | 153 | 114.9 Ų | 114.9 | 80% | 0.801 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -96.3 | 103.4 | 164.5 | -90.1 | 76.7 | 0 | 0 | 0 | 108.1 | ||
| 119 | G | 41.2 | Very low | 50.2 | Low | 63 Ų | 63 | 120.1 Ų | 120.1 | 65% | 0.649 | 70% | 0.699 | S | S | * | * | trans | -50.5 | 147 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | D121 | G119-D121 PolarHBondContact O-N 2.92Š| ||
| 120 | T | 43.8 | Very low | 49.5 | Very low | 152 Ų | 152 | 114.7 Ų | 114.7 | 93% | 0.933 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -64.8 | 20.1 | -172.2 | 37.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 121 | D | 43.1 | Very low | 49.3 | Very low | 71 Ų | 71 | 112.6 Ų | 112.6 | 38% | 0.38 | 66% | 0.663 | S | S | . | * | trans | -143.6 | 115.9 | 178.2 | -166.1 | -12.4 | 0 | 0 | 0 | 111.8 | G119 A123 E124 | G119-D121 PolarHBondContact O-N 2.92Å; D121-A123 PolarHBondContact O-N 3.18Å; D121-A123 VanDerWaalsContact O-N 3.12Å; D121-A123 VanDerWaalsContact OD1-CB 3.24Å; D121-A123 WeakPolarHBondContact OD1-CB 3.36Å; D121-A123 PolarHBondContact OD1-N 2.76Å; D121-E124 HydrophobicContact CB-CB 4.49Å; D121-E124 HydrophobicContact CB-CG 4.32Å; D121-E124 PolarHBondContact O-N 2.94Å | ||
| 122 | P | 51.1 | Low | 49.4 | Very low | 123 Ų | 123 | 111.5 Ų | 111.5 | 80% | 0.799 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -11.2 | 172.6 | 25.9 | -33.2 | 0 | 0 | 0 | 113.8 | ||
| 123 | A | 48.8 | Very low | 49.4 | Very low | 66 Ų | 66 | 110.5 Ų | 110.5 | 55% | 0.545 | 65% | 0.649 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.9 | -24.2 | 177 | 0 | 0 | 0 | 0 | 0 | 114.3 | D121 | D121-A123 PolarHBondContact O-N 3.18Å; D121-A123 VanDerWaalsContact O-N 3.12Å; D121-A123 VanDerWaalsContact OD1-CB 3.24Å; D121-A123 WeakPolarHBondContact OD1-CB 3.36Å; D121-A123 PolarHBondContact OD1-N 2.76Å |
| 124 | E | 49.1 | Very low | 49.2 | Very low | 163 Ų | 163 | 108.2 Ų | 108.2 | 76% | 0.762 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.4 | -5.9 | -173.1 | -68.6 | -167.6 | 155.8 | 0 | 0 | 114.7 | D121 K126 | D121-E124 HydrophobicContact CB-CB 4.49Å; D121-E124 HydrophobicContact CB-CG 4.32Å; D121-E124 PolarHBondContact O-N 2.94Å; E124-K126 VanDerWaalsContact C-N 3.26Å; E124-K126 PolarHBondContact O-N 3.12Å; E124-K126 VanDerWaalsContact O-N 3.11Å |
| 125 | G | 45.4 | Very low | 49 | Very low | 53 Ų | 53 | 104.1 Ų | 104.1 | 55% | 0.546 | 61% | 0.611 | S | S | . | * | G | 310 helix | trans | -76.8 | 9.1 | -171.9 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||
| 126 | K | 48.9 | Very low | 49.1 | Very low | 165 Ų | 165 | 103.7 Ų | 103.7 | 72% | 0.717 | 61% | 0.608 | S | S | * | * | G | 310 helix | trans | -79.8 | -19.1 | -166.3 | -63.9 | -178.4 | -176.6 | 172.9 | 0 | 114.9 | E124 | E124-K126 VanDerWaalsContact C-N 3.26Å; E124-K126 PolarHBondContact O-N 3.12Å; E124-K126 VanDerWaalsContact O-N 3.11Å |
| 127 | D | 51.4 | Low | 49.3 | Very low | 159 Ų | 159 | 102.5 Ų | 102.5 | 85% | 0.85 | 59% | 0.588 | S | S | * | * | G | 310 helix | trans | -113.4 | 4.7 | -172.2 | -63.5 | -28.4 | 0 | 0 | 0 | 114.5 | ||
| 128 | K | 47.5 | Very low | 49.2 | Very low | 183 Ų | 183 | 103.2 Ų | 103.2 | 80% | 0.796 | 59% | 0.589 | S | S | * | * | trans | -121.3 | 48.1 | 179.1 | -70.1 | 173.6 | -176.2 | -90.5 | 0 | 111.6 | V130 | K128-V130 PolarHBondContact O-N 2.77Š| ||
| 129 | I | 49 | Very low | 49.6 | Very low | 148 Ų | 148 | 100.2 Ų | 100.2 | 76% | 0.759 | 57% | 0.573 | S | S | * | * | trans | -72.2 | 80.1 | 161.8 | -54.6 | 175.4 | 0 | 0 | 0 | 106.4 | S131 | I129-S131 PolarHBondContact O-N 3.09Å; I129-S131 VanDerWaalsContact O-N 3.15Å | ||
| 130 | V | 48.1 | Very low | 50.3 | Low | 60 Ų | 60 | 101.6 Ų | 101.6 | 36% | 0.364 | 57% | 0.566 | S | S | . | * | trans | -56.5 | 119.2 | 167.1 | 179.5 | 0 | 0 | 0 | 0 | 105.7 | K128 S132 D134 T135 | K128-V130 PolarHBondContact O-N 2.77Å; V130-S132 PolarHBondContact O-N 3.03Å; V130-D134 HydrophobicContact CG1-CB 3.52Å; V130-T135 PolarHBondContact O-OG1 3.2Å | ||
| 131 | S | 51.1 | Low | 50.8 | Low | 54 Ų | 54 | 96.9 Ų | 96.9 | 38% | 0.378 | 53% | 0.533 | S | S | . | . | trans | -45.7 | 135.9 | 175.6 | 174.7 | 0 | 0 | 0 | 0 | 108.8 | I129 V133 D134 T135 | I129-S131 PolarHBondContact O-N 3.09Å; I129-S131 VanDerWaalsContact O-N 3.15Å; S131-V133 CarbonylContact O-C 3.55Å; S131-V133 PolarHBondContact O-N 2.93Å; S131-V133 PolarHBondContact OG-N 3.3Å; S131-D134 WeakPolarHBondContact O-CA 3.34Å; S131-D134 PolarHBondContact O-N 3.44Å; S131-T135 PolarHBondContact O-N 2.91Å; S131-T135 PolarHBondContact O-OG1 3.36Å; S131-T135 VanDerWaalsContact O-OG1 3.14Å | ||
| 132 | S | 54.3 | Low | 51.3 | Low | 94 Ų | 94 | 100.5 Ų | 100.5 | 66% | 0.657 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -53.1 | -23.3 | 176.7 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | V130 V136 | V130-S132 PolarHBondContact O-N 3.03Å; S132-V136 VanDerWaalsContact O-CG2 3.24Å; S132-V136 WeakPolarHBondContact O-CG2 3.36Å; S132-V136 PolarHBondContact O-N 3.28Å; S132-V136 VanDerWaalsContact O-N 3.17Å |
| 133 | V | 55.7 | Low | 51.4 | Low | 82 Ų | 82 | 99.6 Ų | 99.6 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -68 | -42.1 | 171 | -178 | 0 | 0 | 0 | 0 | 112 | S131 K137 | S131-V133 CarbonylContact O-C 3.55Å; S131-V133 PolarHBondContact O-N 2.93Å; S131-V133 PolarHBondContact OG-N 3.3Å; V133-K137 HydrophobicContact CG1-CD 4.42Å; V133-K137 WeakPolarHBondContact O-CB 3.35Å; V133-K137 WeakPolarHBondContact O-CG 3.34Å; V133-K137 PolarHBondContact O-N 3.4Å |
| 134 | D | 49.6 | Very low | 51.8 | Low | 66 Ų | 66 | 98.6 Ų | 98.6 | 35% | 0.353 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -77.1 | -30.2 | -179.5 | -64.5 | -31.8 | 0 | 0 | 0 | 112.1 | V130 S131 K137 Q138 | V130-D134 HydrophobicContact CG1-CB 3.52Å; S131-D134 WeakPolarHBondContact O-CA 3.34Å; S131-D134 PolarHBondContact O-N 3.44Å; D134-K137 WeakPolarHBondContact O-CB 3.45Å; D134-K137 PolarHBondContact O-N 3Å; D134-K137 IonicContact OD1-NZ 3.28Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; D134-Q138 WeakPolarHBondContact O-CB 3.44Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.89Å |
| 135 | T | 49.8 | Very low | 52.3 | Low | 44 Ų | 44 | 96.4 Ų | 96.4 | 27% | 0.27 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -70.6 | -39.2 | 173.5 | -30.3 | 0 | 0 | 0 | 0 | 111.6 | V130 S131 Q138 L139 | V130-T135 PolarHBondContact O-OG1 3.2Å; S131-T135 PolarHBondContact O-N 2.91Å; S131-T135 PolarHBondContact O-OG1 3.36Å; S131-T135 VanDerWaalsContact O-OG1 3.14Å; T135-Q138 PolarHBondContact O-N 3.45Å; T135-L139 HydrophobicContact CG2-CD1 4.09Å; T135-L139 WeakPolarHBondContact O-CB 3.43Å; T135-L139 PolarHBondContact O-N 3.31Å |
| 136 | V | 54.7 | Low | 52.8 | Low | 67 Ų | 67 | 101.9 Ų | 101.9 | 41% | 0.406 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -69.7 | -36.9 | 172.5 | 173.3 | 0 | 0 | 0 | 0 | 111 | S132 Q138 L140 | S132-V136 VanDerWaalsContact O-CG2 3.24Å; S132-V136 WeakPolarHBondContact O-CG2 3.36Å; S132-V136 PolarHBondContact O-N 3.28Å; S132-V136 VanDerWaalsContact O-N 3.17Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.68Å; V136-L140 HydrophobicContact CG1-CD1 4.24Å; V136-L140 PolarHBondContact O-N 3.5Å |
| 137 | K | 52.3 | Low | 53.4 | Low | 87 Ų | 87 | 98.2 Ų | 98.2 | 38% | 0.378 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -43.2 | 170.9 | -78.8 | 171.7 | -175.5 | 169.5 | 0 | 111.3 | V133 D134 H141 W152 | V133-K137 HydrophobicContact CG1-CD 4.42Å; V133-K137 WeakPolarHBondContact O-CB 3.35Å; V133-K137 WeakPolarHBondContact O-CG 3.34Å; V133-K137 PolarHBondContact O-N 3.4Å; D134-K137 WeakPolarHBondContact O-CB 3.45Å; D134-K137 PolarHBondContact O-N 3Å; D134-K137 IonicContact OD1-NZ 3.28Å; D134-K137 PolarHBondContact OD1-NZ 3.17Å; K137-H141 WeakPolarHBondContact O-CB 3.26Å; K137-H141 PolarHBondContact O-CD2 3.43Å; K137-H141 PolarHBondContact O-N 2.92Å; K137-W152 HydrophobicContact CG-CH2 4.47Å |
| 138 | Q | 51.5 | Low | 54 | Low | 114 Ų | 114 | 94.2 Ų | 94.2 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -76.1 | -36.5 | -178.6 | -77.7 | 176.5 | 1 | 0 | 0 | 114.2 | D134 T135 V136 L140 H142 | D134-Q138 WeakPolarHBondContact O-CB 3.44Å; D134-Q138 WeakPolarHBondContact O-CG 3.43Å; D134-Q138 PolarHBondContact O-N 2.89Å; T135-Q138 PolarHBondContact O-N 3.45Å; V136-Q138 VanDerWaalsContact C-N 3.33Å; V136-Q138 PolarHBondContact O-N 2.68Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 3.28Å; Q138-H142 PolarHBondContact O-ND1 3.45Å |
| 139 | L | 55 | Low | 55 | Low | 90 Ų | 90 | 90 Ų | 90 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -77.1 | -10 | -178.5 | -84.9 | 161.8 | 0 | 0 | 0 | 114.6 | T135 H142 | T135-L139 HydrophobicContact CG2-CD1 4.09Å; T135-L139 WeakPolarHBondContact O-CB 3.43Å; T135-L139 PolarHBondContact O-N 3.31Å; L139-H142 PolarHBondContact O-CE1 3.28Å; L139-H142 PolarHBondContact O-NE2 2.95Å |
| 140 | L | 55.2 | Low | 56.2 | Low | 93 Ų | 93 | 86.7 Ų | 86.7 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -122.2 | -1.1 | 173.2 | -82.1 | 122.4 | 0 | 0 | 0 | 113.3 | V136 Q138 H142 | V136-L140 HydrophobicContact CG1-CD1 4.24Å; V136-L140 PolarHBondContact O-N 3.5Å; Q138-L140 VanDerWaalsContact C-N 3.3Å; Q138-L140 PolarHBondContact O-N 3.28Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 2.86Å |
| 141 | H | 54.3 | Low | 57.1 | Low | 52 Ų | 52 | 85.2 Ų | 85.2 | 24% | 0.241 | 48% | 0.48 | C | S | . | . | G | 310 helix | trans | -70.2 | -24.6 | -175.6 | -140.1 | -57.6 | 0 | 0 | 0 | 114.6 | K137 S143 L144 K146 | K137-H141 WeakPolarHBondContact O-CB 3.26Å; K137-H141 PolarHBondContact O-CD2 3.43Å; K137-H141 PolarHBondContact O-N 2.92Å; H141-S143 PolarHBondContact O-N 2.88Å; H141-S143 VanDerWaalsContact O-N 3.17Å; H141-L144 PolarHBondContact O-N 3.4Å; H141-K146 WeakPolarHBondContact CE1-CE 3.24Å; H141-K146 WeakPolarHBondContact CE1-CG 3.48Å; H141-K146 VanDerWaalsContact ND1-CE 3.29Å; H141-K146 WeakPolarHBondContact ND1-CE 3.43Å; H141-K146 VanDerWaalsContact NE2-CE 3.29Å; H141-K146 WeakPolarHBondContact NE2-CE 3.32Å |
| 142 | H | 53.6 | Low | 58 | Low | 147 Ų | 147 | 86.8 Ų | 86.8 | 68% | 0.681 | 48% | 0.478 | S | S | * | . | G | 310 helix | trans | -69.5 | -15.6 | -168.6 | 24.6 | -95.2 | 0 | 0 | 0 | 113.1 | Q138 L139 L140 | Q138-H142 PolarHBondContact O-ND1 3.45Å; L139-H142 PolarHBondContact O-CE1 3.28Å; L139-H142 PolarHBondContact O-NE2 2.95Å; L140-H142 VanDerWaalsContact C-N 3.31Å; L140-H142 PolarHBondContact O-N 2.86Å |
| 143 | S | 54.8 | Low | 59.1 | Low | 105 Ų | 105 | 87.1 Ų | 87.1 | 73% | 0.734 | 47% | 0.472 | S | S | * | . | G | 310 helix | trans | -103.8 | -8.4 | -179.6 | -36.8 | 0 | 0 | 0 | 0 | 114 | H141 | H141-S143 PolarHBondContact O-N 2.88Å; H141-S143 VanDerWaalsContact O-N 3.17Å |
| 144 | L | 56.6 | Low | 60.1 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 23% | 0.23 | 47% | 0.473 | C | S | . | . | S | Bend | trans | -108.8 | 107.7 | -177.8 | -81.5 | 156.6 | 0 | 0 | 0 | 108.4 | H141 K146 A151 W155 | H141-L144 PolarHBondContact O-N 3.4Å; L144-K146 PolarHBondContact O-N 3.38Å; L144-A151 HydrophobicContact CD2-CB 4.01Å; L144-W155 HydrophobicContact CD1-CB 4.24Å; L144-W155 HydrophobicContact CD1-CG 3.88Å |
| 145 | D | 58.4 | Low | 61.3 | Low | 118 Ų | 118 | 85.2 Ų | 85.2 | 63% | 0.631 | 47% | 0.465 | S | S | * | . | trans | -62 | 119 | 172.4 | -165.4 | 0.4 | 0 | 0 | 0 | 108.8 | S147 D148 | D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact O-N 3.11Å; D145-S147 PolarHBondContact OD1-N 3.31Å; D145-S147 PolarHBondContact OD1-OG 2.88Å; D145-S147 PolarHBondContact OD2-OG 2.73Å; D145-D148 PolarHBondContact O-N 3.44Å | ||
| 146 | K | 57.1 | Low | 62.6 | Low | 168 Ų | 168 | 86.7 Ų | 86.7 | 73% | 0.73 | 47% | 0.47 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.9 | -12.9 | -177.4 | -73.9 | 176.2 | 179.9 | -179.4 | 0 | 112.6 | H141 L144 D148 | H141-K146 WeakPolarHBondContact CE1-CE 3.24Å; H141-K146 WeakPolarHBondContact CE1-CG 3.48Å; H141-K146 VanDerWaalsContact ND1-CE 3.29Å; H141-K146 WeakPolarHBondContact ND1-CE 3.43Å; H141-K146 VanDerWaalsContact NE2-CE 3.29Å; H141-K146 WeakPolarHBondContact NE2-CE 3.32Å; L144-K146 PolarHBondContact O-N 3.38Å; K146-D148 VanDerWaalsContact C-N 3.28Å |
| 147 | S | 60.5 | Low | 63.9 | Low | 87 Ų | 87 | 87.6 Ų | 87.6 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -18.9 | -177.7 | 66.5 | 0 | 0 | 0 | 0 | 113.2 | D145 P149 | D145-S147 PolarHBondContact O-N 3.3Å; D145-S147 VanDerWaalsContact O-N 3.11Å; D145-S147 PolarHBondContact OD1-N 3.31Å; D145-S147 PolarHBondContact OD1-OG 2.88Å; D145-S147 PolarHBondContact OD2-OG 2.73Å; S147-P149 VanDerWaalsContact O-CD 3.29Å; S147-P149 WeakPolarHBondContact O-CD 3.3Å |
| 148 | D | 64.5 | Low | 65.1 | Low | 76 Ų | 76 | 89.1 Ų | 89.1 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | trans | -108 | 99.9 | -176.6 | -170.9 | 2 | 0 | 0 | 0 | 112.2 | D145 K146 S150 A151 W152 | D145-D148 PolarHBondContact O-N 3.44Å; K146-D148 VanDerWaalsContact C-N 3.28Å; D148-S150 PolarHBondContact O-N 3.05Å; D148-S150 WeakPolarHBondContact OD1-CB 3.24Å; D148-S150 PolarHBondContact OD1-N 3.14Å; D148-A151 HydrophobicContact CB-CB 3.98Å; D148-A151 PolarHBondContact O-N 3.11Å; D148-W152 PolarHBondContact O-N 2.81Å | ||
| 149 | P | 68 | Low | 66.4 | Low | 95 Ų | 95 | 86.2 Ų | 86.2 | 62% | 0.617 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -60.5 | -25.8 | 175.5 | 23.7 | -31.5 | 0 | 0 | 0 | 112.5 | S147 W152 D153 | S147-P149 VanDerWaalsContact O-CD 3.29Å; S147-P149 WeakPolarHBondContact O-CD 3.3Å; P149-W152 PolarHBondContact O-N 3.48Å; P149-D153 PolarHBondContact O-N 2.84Å; P149-D153 VanDerWaalsContact O-N 3.14Å |
| 150 | S | 74.5 | Confident | 67.6 | Low | 78 Ų | 78 | 84.7 Ų | 84.7 | 55% | 0.545 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.8 | -39.2 | 177.2 | -170.8 | 0 | 0 | 0 | 0 | 112.1 | D148 W152 D153 A154 | D148-S150 PolarHBondContact O-N 3.05Å; D148-S150 WeakPolarHBondContact OD1-CB 3.24Å; D148-S150 PolarHBondContact OD1-N 3.14Å; S150-W152 VanDerWaalsContact C-N 3.3Å; S150-W152 PolarHBondContact O-N 3.36Å; S150-D153 PolarHBondContact O-N 2.93Å; S150-A154 WeakPolarHBondContact O-CB 3.44Å; S150-A154 PolarHBondContact O-N 3.38Å |
| 151 | A | 68.3 | Low | 68.7 | Low | 28 Ų | 28 | 86.1 Ų | 86.1 | 23% | 0.231 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -65.2 | -35.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | L144 D148 W155 | L144-A151 HydrophobicContact CD2-CB 4.01Å; D148-A151 HydrophobicContact CB-CB 3.98Å; D148-A151 PolarHBondContact O-N 3.11Å; A151-W155 WeakPolarHBondContact O-CB 3.24Å; A151-W155 PolarHBondContact O-N 3.18Å |
| 152 | W | 69.8 | Low | 69.6 | Low | 87 Ų | 87 | 89.8 Ų | 89.8 | 33% | 0.33 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.1 | -45.6 | 175.5 | -174.2 | -105.9 | 0 | 0 | 0 | 112.3 | K137 D148 P149 S150 W155 L156 | K137-W152 HydrophobicContact CG-CH2 4.47Å; D148-W152 PolarHBondContact O-N 2.81Å; P149-W152 PolarHBondContact O-N 3.48Å; S150-W152 VanDerWaalsContact C-N 3.3Å; S150-W152 PolarHBondContact O-N 3.36Å; W152-W155 HydrophobicContact CE3-CE3 4.34Å; W152-W155 HydrophobicContact CH2-CE3 4.09Å; W152-W155 AromaticContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CZ2-CE3 4.44Å; W152-W155 HydrophobicContact CZ2-CZ3 4.2Å; W152-W155 HydrophobicContact CZ3-CE3 4.04Å; W152-W155 HydrophobicContact CZ3-CZ3 4.15Å; W152-W155 WeakPolarHBondContact O-CB 3.19Å; W152-W155 PolarHBondContact O-N 3.42Å; W152-L156 WeakPolarHBondContact O-CG 3.46Å; W152-L156 PolarHBondContact O-N 2.87Å |
| 153 | D | 76.1 | Confident | 70.7 | Confident | 101 Ų | 101 | 89.3 Ų | 89.3 | 54% | 0.54 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.1 | -43.4 | 176.9 | -75.9 | -19.6 | 0 | 0 | 0 | 111.8 | P149 S150 W155 L156 V157 | P149-D153 PolarHBondContact O-N 2.84Å; P149-D153 VanDerWaalsContact O-N 3.14Å; S150-D153 PolarHBondContact O-N 2.93Å; D153-W155 VanDerWaalsContact C-N 3.28Å; D153-W155 PolarHBondContact O-N 3.38Å; D153-L156 PolarHBondContact O-N 3.35Å; D153-V157 WeakPolarHBondContact O-CG2 3.34Å; D153-V157 PolarHBondContact O-N 3.39Å |
| 154 | A | 77.1 | Confident | 71.7 | Confident | 61 Ų | 61 | 86.7 Ų | 86.7 | 50% | 0.504 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.2 | -38.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | S150 K158 | S150-A154 WeakPolarHBondContact O-CB 3.44Å; S150-A154 PolarHBondContact O-N 3.38Å; A154-K158 WeakPolarHBondContact O-CB 3.42Å; A154-K158 PolarHBondContact O-N 3.26Å |
| 155 | W | 74.6 | Confident | 72.3 | Confident | 48 Ų | 48 | 90.4 Ų | 90.4 | 18% | 0.182 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -67.2 | -41.6 | 176.2 | -179.2 | 85.3 | 0 | 0 | 0 | 112.4 | L144 A151 W152 D153 V157 K158 L159 | L144-W155 HydrophobicContact CD1-CB 4.24Å; L144-W155 HydrophobicContact CD1-CG 3.88Å; A151-W155 WeakPolarHBondContact O-CB 3.24Å; A151-W155 PolarHBondContact O-N 3.18Å; W152-W155 HydrophobicContact CE3-CE3 4.34Å; W152-W155 HydrophobicContact CH2-CE3 4.09Å; W152-W155 AromaticContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CH2-CZ3 3.8Å; W152-W155 HydrophobicContact CZ2-CE3 4.44Å; W152-W155 HydrophobicContact CZ2-CZ3 4.2Å; W152-W155 HydrophobicContact CZ3-CE3 4.04Å; W152-W155 HydrophobicContact CZ3-CZ3 4.15Å; W152-W155 WeakPolarHBondContact O-CB 3.19Å; W152-W155 PolarHBondContact O-N 3.42Å; D153-W155 VanDerWaalsContact C-N 3.28Å; D153-W155 PolarHBondContact O-N 3.38Å; W155-V157 VanDerWaalsContact C-N 3.33Å; W155-V157 PolarHBondContact O-N 2.92Å; W155-K158 PolarHBondContact O-N 3.48Å; W155-L159 HydrophobicContact CH2-CD2 3.74Å; W155-L159 HydrophobicContact CZ2-CD2 4.3Å; W155-L159 HydrophobicContact CZ3-CD2 3.96Å; W155-L159 WeakPolarHBondContact O-CB 3.45Å; W155-L159 PolarHBondContact O-N 3.48Å |
| 156 | L | 78.5 | Confident | 72.7 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 39% | 0.393 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 176.2 | -73.4 | 175.6 | 0 | 0 | 0 | 112 | W152 D153 L159 A160 | W152-L156 WeakPolarHBondContact O-CG 3.46Å; W152-L156 PolarHBondContact O-N 2.87Å; D153-L156 PolarHBondContact O-N 3.35Å; L156-L159 PolarHBondContact O-N 2.98Å; L156-A160 PolarHBondContact O-N 3.17Å |
| 157 | V | 81 | Confident | 73.2 | Confident | 85 Ų | 85 | 89.6 Ų | 89.6 | 52% | 0.515 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -60.5 | -49.8 | 173.5 | 173.7 | 0 | 0 | 0 | 0 | 110.4 | D153 W155 L159 A160 E161 | D153-V157 WeakPolarHBondContact O-CG2 3.34Å; D153-V157 PolarHBondContact O-N 3.39Å; W155-V157 VanDerWaalsContact C-N 3.33Å; W155-V157 PolarHBondContact O-N 2.92Å; V157-L159 VanDerWaalsContact C-N 3.29Å; V157-L159 PolarHBondContact O-N 3.43Å; V157-A160 WeakPolarHBondContact O-CB 3.39Å; V157-A160 PolarHBondContact O-N 2.85Å; V157-A160 VanDerWaalsContact O-N 3.08Å; V157-E161 PolarHBondContact O-N 3.41Å |
| 158 | K | 78.2 | Confident | 73.5 | Confident | 120 Ų | 120 | 90.7 Ų | 90.7 | 52% | 0.522 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -37.2 | 179 | -165.2 | 170.8 | -172.2 | 173.1 | 0 | 112.5 | A154 W155 E161 F162 | A154-K158 WeakPolarHBondContact O-CB 3.42Å; A154-K158 PolarHBondContact O-N 3.26Å; W155-K158 PolarHBondContact O-N 3.48Å; K158-E161 PolarHBondContact O-N 3.03Å; K158-F162 HydrophobicContact CD-CE2 4.34Å; K158-F162 HydrophobicContact CG-CD2 4.06Å; K158-F162 HydrophobicContact CG-CE2 3.83Å; K158-F162 WeakPolarHBondContact O-CD2 3.4Å; K158-F162 PolarHBondContact O-N 3.08Å |
| 159 | L | 78.7 | Confident | 73.3 | Confident | 53 Ų | 53 | 93.4 Ų | 93.4 | 28% | 0.277 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 175.1 | -175.7 | 66.6 | 0 | 0 | 0 | 111.7 | W155 L156 V157 F162 K163 | W155-L159 HydrophobicContact CH2-CD2 3.74Å; W155-L159 HydrophobicContact CZ2-CD2 4.3Å; W155-L159 HydrophobicContact CZ3-CD2 3.96Å; W155-L159 WeakPolarHBondContact O-CB 3.45Å; W155-L159 PolarHBondContact O-N 3.48Å; L156-L159 PolarHBondContact O-N 2.98Å; V157-L159 VanDerWaalsContact C-N 3.29Å; V157-L159 PolarHBondContact O-N 3.43Å; L159-F162 PolarHBondContact O-N 3.27Å; L159-K163 WeakPolarHBondContact O-CG 2.99Å; L159-K163 PolarHBondContact O-N 3.47Å |
| 160 | A | 79.7 | Confident | 72.7 | Confident | 58 Ų | 58 | 93 Ų | 93 | 48% | 0.479 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.8 | -42.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L156 V157 K163 A164 | L156-A160 PolarHBondContact O-N 3.17Å; V157-A160 WeakPolarHBondContact O-CB 3.39Å; V157-A160 PolarHBondContact O-N 2.85Å; V157-A160 VanDerWaalsContact O-N 3.08Å; A160-K163 PolarHBondContact O-N 3.48Å; A160-A164 PolarHBondContact O-N 2.98Å |
| 161 | E | 78.1 | Confident | 71.9 | Confident | 123 Ų | 123 | 92 Ų | 92 | 58% | 0.575 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -60.1 | -45.5 | 174.1 | -70.1 | 177.1 | 172.5 | 0 | 0 | 112.1 | V157 K158 K163 A164 H165 | V157-E161 PolarHBondContact O-N 3.41Å; K158-E161 PolarHBondContact O-N 3.03Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.45Å; E161-A164 PolarHBondContact O-N 2.83Å; E161-H165 WeakPolarHBondContact O-CB 3.41Å; E161-H165 PolarHBondContact O-N 3.24Å |
| 162 | F | 73.8 | Confident | 71.4 | Confident | 128 Ų | 128 | 93.4 Ų | 93.4 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 176.2 | -86 | -61.4 | 0 | 0 | 0 | 112.6 | K158 L159 H165 R166 | K158-F162 HydrophobicContact CD-CE2 4.34Å; K158-F162 HydrophobicContact CG-CD2 4.06Å; K158-F162 HydrophobicContact CG-CE2 3.83Å; K158-F162 WeakPolarHBondContact O-CD2 3.4Å; K158-F162 PolarHBondContact O-N 3.08Å; L159-F162 PolarHBondContact O-N 3.27Å; F162-H165 PolarHBondContact O-N 3.31Å; F162-R166 PolarHBondContact O-N 3.46Å |
| 163 | K | 76.3 | Confident | 70.5 | Confident | 138 Ų | 138 | 92.3 Ų | 92.3 | 60% | 0.6 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -62.7 | -47.3 | 174 | -75.5 | 179.8 | 178.9 | -178.5 | 0 | 111 | L159 A160 E161 H165 R166 V167 | L159-K163 WeakPolarHBondContact O-CG 2.99Å; L159-K163 PolarHBondContact O-N 3.47Å; A160-K163 PolarHBondContact O-N 3.48Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.45Å; K163-H165 PolarHBondContact O-N 2.92Å; K163-R166 PolarHBondContact O-N 3.08Å; K163-V167 WeakPolarHBondContact O-CG2 3.29Å; K163-V167 PolarHBondContact O-N 3.02Å; K163-V167 VanDerWaalsContact O-N 3.08Å |
| 164 | A | 75.1 | Confident | 69.6 | Low | 50 Ų | 50 | 91.6 Ų | 91.6 | 41% | 0.413 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A160 E161 R166 V167 N168 | A160-A164 PolarHBondContact O-N 2.98Å; E161-A164 PolarHBondContact O-N 2.83Å; A164-R166 PolarHBondContact O-N 3.15Å; A164-V167 PolarHBondContact O-N 3.2Å; A164-N168 PolarHBondContact O-N 3.31Å; A164-N168 PolarHBondContact O-ND2 2.95Å |
| 165 | H | 69.9 | Low | 68.6 | Low | 122 Ų | 122 | 93.6 Ų | 93.6 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.4 | -38.8 | 177.8 | -169.3 | -81.8 | 0 | 0 | 0 | 112.2 | E161 F162 K163 N168 K169 | E161-H165 WeakPolarHBondContact O-CB 3.41Å; E161-H165 PolarHBondContact O-N 3.24Å; F162-H165 PolarHBondContact O-N 3.31Å; K163-H165 PolarHBondContact O-N 2.92Å; H165-N168 PolarHBondContact O-N 3.17Å; H165-K169 VanDerWaalsContact O-CB 3.32Å; H165-K169 WeakPolarHBondContact O-CB 3.21Å; H165-K169 PolarHBondContact O-N 3.44Å |
| 166 | R | 66.8 | Low | 67.6 | Low | 182 Ų | 182 | 95.3 Ų | 95.3 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.1 | -46.1 | 173.3 | -81.7 | -176.8 | 71.3 | 172.1 | 2.7 | 111.7 | F162 K163 A164 N168 K169 I170 | F162-R166 PolarHBondContact O-N 3.46Å; K163-R166 PolarHBondContact O-N 3.08Å; A164-R166 PolarHBondContact O-N 3.15Å; R166-N168 PolarHBondContact O-N 3.28Å; R166-K169 PolarHBondContact O-N 2.72Å; R166-I170 WeakPolarHBondContact O-CD1 3.29Å; R166-I170 VanDerWaalsContact O-CG1 3.24Å; R166-I170 WeakPolarHBondContact O-CG1 3.14Å; R166-I170 PolarHBondContact O-N 2.92Å |
| 167 | V | 67.2 | Low | 66.4 | Low | 87 Ų | 87 | 96.6 Ų | 96.6 | 53% | 0.527 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 177.1 | 173.2 | 0 | 0 | 0 | 0 | 110.4 | K163 A164 K169 I170 S171 | K163-V167 WeakPolarHBondContact O-CG2 3.29Å; K163-V167 PolarHBondContact O-N 3.02Å; K163-V167 VanDerWaalsContact O-N 3.08Å; A164-V167 PolarHBondContact O-N 3.2Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 2.84Å; V167-I170 PolarHBondContact O-N 3.31Å; V167-S171 WeakPolarHBondContact O-CB 3.42Å; V167-S171 PolarHBondContact O-N 3.46Å; V167-S171 PolarHBondContact O-OG 3.04Å; V167-S171 VanDerWaalsContact O-OG 3.08Å |
| 168 | N | 67.1 | Low | 65.1 | Low | 109 Ų | 109 | 98 Ų | 98 | 58% | 0.583 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.3 | -40.2 | 177.7 | -71.8 | -20.3 | 0 | 0 | 0 | 112.5 | A164 H165 R166 S171 S172 | A164-N168 PolarHBondContact O-N 3.31Å; A164-N168 PolarHBondContact O-ND2 2.95Å; H165-N168 PolarHBondContact O-N 3.17Å; R166-N168 PolarHBondContact O-N 3.28Å; N168-S171 PolarHBondContact O-N 3.46Å; N168-S172 VanDerWaalsContact O-CB 3.3Å; N168-S172 WeakPolarHBondContact O-CB 3.11Å; N168-S172 PolarHBondContact O-N 2.9Å; N168-S172 PolarHBondContact O-OG 3.41Å |
| 169 | K | 60.6 | Low | 63.8 | Low | 133 Ų | 133 | 99.4 Ų | 99.4 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -43.6 | 177.8 | -161 | 175.8 | -175.5 | -179.1 | 0 | 111.2 | H165 R166 V167 S172 T173 | H165-K169 VanDerWaalsContact O-CB 3.32Å; H165-K169 WeakPolarHBondContact O-CB 3.21Å; H165-K169 PolarHBondContact O-N 3.44Å; R166-K169 PolarHBondContact O-N 2.72Å; V167-K169 VanDerWaalsContact C-N 3.34Å; V167-K169 PolarHBondContact O-N 2.84Å; K169-S172 PolarHBondContact O-N 2.96Å; K169-S172 PolarHBondContact O-OG 3.37Å; K169-T173 WeakPolarHBondContact O-CG2 3.43Å; K169-T173 PolarHBondContact O-N 3.21Å; K169-T173 PolarHBondContact O-OG1 3.21Å |
| 170 | I | 56.1 | Low | 62.7 | Low | 88 Ų | 88 | 104.8 Ų | 104.8 | 45% | 0.451 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.6 | -45.5 | 175.8 | -66.2 | 164 | 0 | 0 | 0 | 110.9 | R166 V167 S172 T173 I174 | R166-I170 WeakPolarHBondContact O-CD1 3.29Å; R166-I170 VanDerWaalsContact O-CG1 3.24Å; R166-I170 WeakPolarHBondContact O-CG1 3.14Å; R166-I170 PolarHBondContact O-N 2.92Å; V167-I170 PolarHBondContact O-N 3.31Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 3.08Å; I170-T173 WeakPolarHBondContact CA-OG1 3.42Å; I170-T173 PolarHBondContact O-N 3.5Å; I170-T173 PolarHBondContact O-OG1 3.18Å; I170-I174 HydrophobicContact CG2-CD1 3.7Å; I170-I174 HydrophobicContact CG2-CG1 4.43Å; I170-I174 VanDerWaalsContact O-CG1 3.24Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.41Å |
| 171 | S | 57.8 | Low | 61.5 | Low | 55 Ų | 55 | 110.6 Ų | 110.6 | 39% | 0.385 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.2 | -37.8 | 175.8 | -63 | 0 | 0 | 0 | 0 | 112.1 | V167 N168 N175 | V167-S171 WeakPolarHBondContact O-CB 3.42Å; V167-S171 PolarHBondContact O-N 3.46Å; V167-S171 PolarHBondContact O-OG 3.04Å; V167-S171 VanDerWaalsContact O-OG 3.08Å; N168-S171 PolarHBondContact O-N 3.46Å; S171-N175 WeakPolarHBondContact O-CB 3.48Å; S171-N175 PolarHBondContact O-N 3.24Å; S171-N175 PolarHBondContact O-ND2 3.4Å |
| 172 | S | 56.1 | Low | 60.4 | Low | 59 Ų | 59 | 110.5 Ų | 110.5 | 41% | 0.413 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.2 | -38 | 177.1 | 78.3 | 0 | 0 | 0 | 0 | 112.7 | N168 K169 I170 T176 | N168-S172 VanDerWaalsContact O-CB 3.3Å; N168-S172 WeakPolarHBondContact O-CB 3.11Å; N168-S172 PolarHBondContact O-N 2.9Å; N168-S172 PolarHBondContact O-OG 3.41Å; K169-S172 PolarHBondContact O-N 2.96Å; K169-S172 PolarHBondContact O-OG 3.37Å; I170-S172 VanDerWaalsContact C-N 3.3Å; I170-S172 PolarHBondContact O-N 3.08Å; S172-T176 WeakPolarHBondContact O-CB 3.49Å; S172-T176 WeakPolarHBondContact O-CG2 3.42Å; S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 3.03Å |
| 173 | T | 52.4 | Low | 59.6 | Low | 64 Ų | 64 | 110.6 Ų | 110.6 | 39% | 0.393 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -72.9 | -34.9 | 177.2 | 54.5 | 0 | 0 | 0 | 0 | 111.5 | K169 I170 T176 N177 | K169-T173 WeakPolarHBondContact O-CG2 3.43Å; K169-T173 PolarHBondContact O-N 3.21Å; K169-T173 PolarHBondContact O-OG1 3.21Å; I170-T173 WeakPolarHBondContact CA-OG1 3.42Å; I170-T173 PolarHBondContact O-N 3.5Å; I170-T173 PolarHBondContact O-OG1 3.18Å; T173-T176 WeakPolarHBondContact CA-OG1 3.4Å; T173-T176 PolarHBondContact O-OG1 3.11Å; T173-T176 VanDerWaalsContact O-OG1 3.09Å; T173-N177 WeakPolarHBondContact O-CB 3.44Å; T173-N177 PolarHBondContact O-N 2.82Å; T173-N177 VanDerWaalsContact O-N 3.12Å; T173-N177 PolarHBondContact O-ND2 3.38Å |
| 174 | I | 55.8 | Low | 58.3 | Low | 85 Ų | 85 | 107 Ų | 107 | 44% | 0.436 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -65.1 | -48.2 | 173.5 | -67.2 | 165.8 | 0 | 0 | 0 | 110.5 | I170 T176 N177 Q178 | I170-I174 HydrophobicContact CG2-CD1 3.7Å; I170-I174 HydrophobicContact CG2-CG1 4.43Å; I170-I174 VanDerWaalsContact O-CG1 3.24Å; I170-I174 WeakPolarHBondContact O-CG1 3.49Å; I170-I174 PolarHBondContact O-N 3.41Å; I174-T176 PolarHBondContact O-N 3.39Å; I174-N177 PolarHBondContact O-N 3.36Å; I174-Q178 WeakPolarHBondContact O-CG 3.45Å; I174-Q178 PolarHBondContact O-N 3.14Å |
| 175 | N | 55.9 | Low | 56.9 | Low | 103 Ų | 103 | 112 Ų | 112 | 55% | 0.551 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.6 | -37.6 | -179.6 | -81 | -26.7 | 0 | 0 | 0 | 113.5 | S171 Q178 K179 | S171-N175 WeakPolarHBondContact O-CB 3.48Å; S171-N175 PolarHBondContact O-N 3.24Å; S171-N175 PolarHBondContact O-ND2 3.4Å; N175-Q178 PolarHBondContact O-N 2.97Å; N175-K179 WeakPolarHBondContact O-CB 3.4Å; N175-K179 PolarHBondContact O-N 3.02Å |
| 176 | T | 55.1 | Low | 55.3 | Low | 84 Ų | 84 | 113.4 Ų | 113.4 | 52% | 0.515 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -68.9 | -36.8 | 176.1 | 45.5 | 0 | 0 | 0 | 0 | 112.3 | S172 T173 I174 K180 | S172-T176 WeakPolarHBondContact O-CB 3.49Å; S172-T176 WeakPolarHBondContact O-CG2 3.42Å; S172-T176 PolarHBondContact O-N 2.95Å; S172-T176 PolarHBondContact O-OG1 3.03Å; T173-T176 WeakPolarHBondContact CA-OG1 3.4Å; T173-T176 PolarHBondContact O-OG1 3.11Å; T173-T176 VanDerWaalsContact O-OG1 3.09Å; I174-T176 PolarHBondContact O-N 3.39Å; T176-K180 PolarHBondContact O-N 3.21Å |
| 177 | N | 52.2 | Low | 54.8 | Low | 102 Ų | 102 | 110 Ų | 110 | 55% | 0.545 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70.9 | -34.8 | 174.1 | -75.8 | -53.6 | 0 | 0 | 0 | 112.5 | T173 I174 R181 | T173-N177 WeakPolarHBondContact O-CB 3.44Å; T173-N177 PolarHBondContact O-N 2.82Å; T173-N177 VanDerWaalsContact O-N 3.12Å; T173-N177 PolarHBondContact O-ND2 3.38Å; I174-N177 PolarHBondContact O-N 3.36Å; N177-R181 WeakPolarHBondContact O-CG 3.29Å; N177-R181 PolarHBondContact O-N 2.97Å |
| 178 | Q | 53.6 | Low | 54.1 | Low | 114 Ų | 114 | 111.2 Ų | 111.2 | 53% | 0.533 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -69.9 | -42.7 | 173.3 | -72 | -164 | -2.7 | 0 | 0 | 112.4 | I174 N175 K180 R181 I182 | I174-Q178 WeakPolarHBondContact O-CG 3.45Å; I174-Q178 PolarHBondContact O-N 3.14Å; N175-Q178 PolarHBondContact O-N 2.97Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.45Å; Q178-R181 PolarHBondContact O-N 3.23Å; Q178-I182 WeakPolarHBondContact O-CG1 3.18Å; Q178-I182 PolarHBondContact O-N 3.42Å |
| 179 | K | 51.7 | Low | 53.4 | Low | 150 Ų | 150 | 111.3 Ų | 111.3 | 65% | 0.652 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -63.8 | -33.9 | 178.6 | -165.3 | 171.9 | -177.3 | 176.7 | 0 | 112.9 | N175 N183 | N175-K179 WeakPolarHBondContact O-CB 3.4Å; N175-K179 PolarHBondContact O-N 3.02Å; K179-N183 PolarHBondContact O-N 3.07Å |
| 180 | K | 54.5 | Low | 53 | Low | 166 Ų | 166 | 110.1 Ų | 110.1 | 72% | 0.722 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -68.1 | -30.7 | 171.8 | -88.5 | -175.4 | 175.1 | -179.9 | 0 | 113.5 | T176 Q178 G184 | T176-K180 PolarHBondContact O-N 3.21Å; Q178-K180 VanDerWaalsContact C-N 3.31Å; Q178-K180 PolarHBondContact O-N 3.45Å; K180-G184 PolarHBondContact O-N 2.94Å |
| 181 | R | 54.7 | Low | 52.8 | Low | 180 Ų | 180 | 111.4 Ų | 111.4 | 68% | 0.679 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -75.1 | -30.4 | 178.2 | -69.9 | 177.2 | 84.4 | 170.8 | 5.8 | 112.7 | N177 Q178 | N177-R181 WeakPolarHBondContact O-CG 3.29Å; N177-R181 PolarHBondContact O-N 2.97Å; Q178-R181 PolarHBondContact O-N 3.23Å |
| 182 | I | 56.6 | Low | 52.4 | Low | 122 Ų | 122 | 115.2 Ų | 115.2 | 63% | 0.626 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -78.6 | -33.9 | 179.8 | -59 | 162.5 | 0 | 0 | 0 | 111.4 | Q178 | Q178-I182 WeakPolarHBondContact O-CG1 3.18Å; Q178-I182 PolarHBondContact O-N 3.42Å |
| 183 | N | 56.7 | Low | 52.2 | Low | 129 Ų | 129 | 119.2 Ų | 119.2 | 69% | 0.69 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | 2.5 | -178.5 | -71.2 | 7.8 | 0 | 0 | 0 | 114.5 | K179 | K179-N183 PolarHBondContact O-N 3.07Š|
| 184 | G | 48.2 | Very low | 52.1 | Low | 63 Ų | 63 | 123.5 Ų | 123.5 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 8.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | K180 | K180-G184 PolarHBondContact O-N 2.94Š|
| 185 | I | 46.7 | Very low | 51.8 | Low | 155 Ų | 155 | 126.7 Ų | 126.7 | 80% | 0.795 | 71% | 0.71 | S | S | * | * | trans | -109.1 | 89.5 | 175.5 | -60.2 | 158.5 | 0 | 0 | 0 | 106.1 | ||||
| 186 | G | 36.3 | Very low | 51.5 | Low | 152 Ų | 152 | 128.8 Ų | 128.8 | 100% | 1.567 | 73% | 0.725 | S | S | * | * | trans | 176.5 | 0 | -178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 |
Retrieved 186 of 186 residues in 140.4 ms
(Link to these results)