| 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 | 36.7 | Very low | 47.6 | Very low | 243 Ų | 243 | 154.6 Ų | 154.6 | 100% | 1.197 | 79% | 0.793 | S | S | * | * | 0 | 116.3 | 0 | -56.7 | -60.6 | -178.6 | 0 | 0 | 106.1 | |||||
| 2 | S | 44.3 | Very low | 47.6 | Very low | 112 Ų | 112 | 152.8 Ų | 152.8 | 78% | 0.783 | 78% | 0.782 | S | S | * | * | cis | -156.3 | 126 | 26 | 46 | 0 | 0 | 0 | 0 | 109.4 | Q4 | S2-Q4 PolarHBondContact O-N 3.21Š| ||
| 3 | E | 47.5 | Very low | 48.3 | Very low | 198 Ų | 198 | 149.3 Ų | 149.3 | 93% | 0.925 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 124.9 | 167.1 | -63.4 | 171.5 | 159.7 | 0 | 0 | 108.4 | ||
| 4 | Q | 49.9 | Very low | 48.7 | Very low | 180 Ų | 180 | 145.6 Ų | 145.6 | 84% | 0.841 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -96.7 | 132 | 163.6 | -90.4 | -176.2 | -10.7 | 0 | 0 | 108.9 | S2 V6 | S2-Q4 PolarHBondContact O-N 3.21Å; Q4-V6 PolarHBondContact O-N 2.91Å |
| 5 | P | 47.7 | Very low | 49.2 | Very low | 118 Ų | 118 | 149.4 Ų | 149.4 | 77% | 0.766 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -78.3 | 119.6 | -158.2 | 30.5 | -33.6 | 0 | 0 | 0 | 109.9 | Y7 | P5-Y7 PolarHBondContact O-N 3.48Å; P5-Y7 VanDerWaalsContact O-N 3.13Å |
| 6 | V | 46.4 | Very low | 49.4 | Very low | 123 Ų | 123 | 152.3 Ų | 152.3 | 75% | 0.745 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -50.3 | 123.1 | 154.9 | 178.9 | 0 | 0 | 0 | 0 | 106 | Q4 L8 | Q4-V6 PolarHBondContact O-N 2.91Å; V6-L8 PolarHBondContact O-N 2.99Å |
| 7 | Y | 43.8 | Very low | 49.8 | Very low | 170 Ų | 170 | 154.8 Ų | 154.8 | 67% | 0.667 | 77% | 0.773 | S | S | * | * | trans | -65.8 | 80.5 | -176.2 | -159.7 | -99.2 | 0 | 0 | 0 | 109.2 | P5 K9 | P5-Y7 PolarHBondContact O-N 3.48Å; P5-Y7 VanDerWaalsContact O-N 3.13Å; Y7-K9 HydrophobicContact CD1-CB 3.8Å; Y7-K9 HydrophobicContact CD1-CD 4.34Å; Y7-K9 HydrophobicContact CE1-CB 3.62Å; Y7-K9 HydrophobicContact CE1-CD 3.75Å; Y7-K9 HydrophobicContact CE1-CG 4.29Å; Y7-K9 HydrophobicContact CE2-CD 4.05Å; Y7-K9 PolarHBondContact O-N 3.07Å | ||
| 8 | L | 49.7 | Very low | 50.1 | Low | 126 Ų | 126 | 151.4 Ų | 151.4 | 66% | 0.66 | 77% | 0.766 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.4 | 38.1 | 178.6 | -80.5 | 168 | 0 | 0 | 0 | 111.9 | V6 L11 | V6-L8 PolarHBondContact O-N 2.99Å; L8-L11 HydrophobicContact CD2-CD1 3.59Å |
| 9 | K | 50.7 | Low | 50.6 | Low | 146 Ų | 146 | 152.1 Ų | 152.1 | 64% | 0.635 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | -10 | 177.6 | -83.1 | 162.8 | 177.4 | 171.7 | 0 | 113.2 | Y7 | Y7-K9 HydrophobicContact CD1-CB 3.8Å; Y7-K9 HydrophobicContact CD1-CD 4.34Å; Y7-K9 HydrophobicContact CE1-CB 3.62Å; Y7-K9 HydrophobicContact CE1-CD 3.75Å; Y7-K9 HydrophobicContact CE1-CG 4.29Å; Y7-K9 HydrophobicContact CE2-CD 4.05Å; Y7-K9 PolarHBondContact O-N 3.07Å |
| 10 | D | 51.3 | Low | 51.3 | Low | 150 Ų | 150 | 155.5 Ų | 155.5 | 80% | 0.802 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -3 | 176.9 | -67.7 | -17.7 | 0 | 0 | 0 | 113.8 | ||
| 11 | L | 56.1 | Low | 52.4 | Low | 135 Ų | 135 | 153.4 Ų | 153.4 | 71% | 0.707 | 76% | 0.758 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.9 | -3.6 | 179.8 | -85.1 | 165.5 | 0 | 0 | 0 | 114.8 | L8 P13 | L8-L11 HydrophobicContact CD2-CD1 3.59Å; L11-P13 WeakPolarHBondContact O-CD 3.14Å |
| 12 | M | 46.8 | Very low | 54.4 | Low | 133 Ų | 133 | 145.7 Ų | 145.7 | 66% | 0.655 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -85.5 | 120.4 | 177 | -74.5 | -54.5 | -44 | 0 | 0 | 110 | T14 | M12-T14 PolarHBondContact O-N 3.02Š|
| 13 | P | 56.8 | Low | 55.8 | Low | 107 Ų | 107 | 144.3 Ų | 144.3 | 70% | 0.695 | 71% | 0.712 | S | S | * | * | trans | -67.5 | 89.6 | 163.5 | -1.1 | 17.4 | 0 | 0 | 0 | 105.5 | L11 K15 | L11-P13 WeakPolarHBondContact O-CD 3.14Å; P13-K15 PolarHBondContact O-N 2.94Å | ||
| 14 | T | 54.1 | Low | 57.3 | Low | 97 Ų | 97 | 140.1 Ų | 140.1 | 60% | 0.595 | 69% | 0.692 | S | S | * | * | trans | -64 | 94.9 | 166.3 | 23.5 | 0 | 0 | 0 | 0 | 104.6 | M12 R16 | M12-T14 PolarHBondContact O-N 3.02Å; T14-R16 PolarHBondContact O-N 2.97Å | ||
| 15 | K | 56.9 | Low | 58.6 | Low | 203 Ų | 203 | 136.7 Ų | 136.7 | 88% | 0.883 | 68% | 0.676 | S | S | * | * | trans | -63 | 62.4 | 161.6 | -78.3 | -178.1 | 176.7 | 175.9 | 0 | 107.9 | P13 K17 | P13-K15 PolarHBondContact O-N 2.94Å; K15-K17 PolarHBondContact O-N 3.2Å | ||
| 16 | R | 52.3 | Low | 60.3 | Low | 196 Ų | 196 | 136.9 Ų | 136.9 | 74% | 0.74 | 66% | 0.662 | S | S | * | * | trans | -63.5 | 130.1 | 157.7 | -80 | -179.3 | 170.1 | 123.8 | -4.2 | 104.6 | T14 S18 | T14-R16 PolarHBondContact O-N 2.97Å; R16-S18 PolarHBondContact O-N 2.82Å | ||
| 17 | K | 54.9 | Low | 62 | Low | 195 Ų | 195 | 137.9 Ų | 137.9 | 85% | 0.848 | 65% | 0.652 | S | S | * | * | trans | -66.1 | 68 | 173.2 | -65.4 | 178.1 | 177.8 | 178.2 | 0 | 109.6 | K15 M19 | K15-K17 PolarHBondContact O-N 3.2Å; K17-M19 HydrophobicContact CB-CG 4.41Å; K17-M19 PolarHBondContact O-N 3.48Å | ||
| 18 | S | 55.8 | Low | 63.7 | Low | 93 Ų | 93 | 135.4 Ų | 135.4 | 65% | 0.65 | 65% | 0.648 | S | S | * | * | trans | -85.8 | 75.9 | 154.7 | 56.7 | 0 | 0 | 0 | 0 | 106.1 | R16 W20 | R16-S18 PolarHBondContact O-N 2.82Å; S18-W20 PolarHBondContact O-N 3.49Å | ||
| 19 | M | 60.6 | Low | 65.3 | Low | 165 Ų | 165 | 131.5 Ų | 131.5 | 81% | 0.813 | 63% | 0.631 | S | S | * | * | trans | -65.3 | 1.6 | 175.1 | -69.7 | 178.7 | 53 | 0 | 0 | 113 | K17 | K17-M19 HydrophobicContact CB-CG 4.41Å; K17-M19 PolarHBondContact O-N 3.48Å | ||
| 20 | W | 62.9 | Low | 67.1 | Low | 219 Ų | 219 | 128.9 Ų | 128.9 | 83% | 0.83 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -95.8 | 113.9 | 176.4 | -59.7 | 100.3 | 0 | 0 | 0 | 108.5 | S18 T22 | S18-W20 PolarHBondContact O-N 3.49Å; W20-T22 PolarHBondContact O-N 3.47Å |
| 21 | K | 76.3 | Confident | 69.1 | Low | 113 Ų | 113 | 126.7 Ų | 126.7 | 49% | 0.491 | 61% | 0.612 | S | S | . | * | trans | -46.8 | 132.3 | 168 | -72.4 | -177.8 | 177.3 | -178.2 | 0 | 109.4 | E25 R26 | K21-E25 HydrophobicContact CB-CB 4.2Å; K21-R26 HydrophobicContact CB-CG 3.79Å; K21-R26 HydrophobicContact CD-CG 4.38Å; K21-R26 PolarHBondContact O-NE 3.37Å; K21-R26 PolarHBondContact O-NH2 3.16Å | ||
| 22 | T | 77.8 | Confident | 70.7 | Confident | 80 Ų | 80 | 124.4 Ų | 124.4 | 49% | 0.491 | 60% | 0.603 | S | S | . | * | trans | -56.9 | 156.8 | 172.8 | 60.1 | 0 | 0 | 0 | 0 | 109.7 | W20 E24 E25 R26 | W20-T22 PolarHBondContact O-N 3.47Å; T22-E24 PolarHBondContact O-N 3.5Å; T22-E25 PolarHBondContact N-OE2 3.02Å; T22-E25 PolarHBondContact O-N 3.02Å; T22-E25 WeakPolarHBondContact OG1-CB 3.49Å; T22-E25 WeakPolarHBondContact OG1-CG 3.44Å; T22-E25 PolarHBondContact OG1-N 2.78Å; T22-E25 PolarHBondContact OG1-OE2 3.12Å; T22-R26 PolarHBondContact O-N 3.46Å | ||
| 23 | V | 74.1 | Confident | 72.8 | Confident | 84 Ų | 84 | 126.5 Ų | 126.5 | 51% | 0.509 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -57.9 | -36.7 | -178.8 | 174.8 | 0 | 0 | 0 | 0 | 110.8 | R26 R27 | V23-R26 PolarHBondContact O-N 3.04Å; V23-R27 WeakPolarHBondContact O-CG 3.45Å; V23-R27 PolarHBondContact O-N 3.02Å |
| 24 | E | 77.4 | Confident | 74.6 | Confident | 110 Ų | 110 | 125.2 Ų | 125.2 | 51% | 0.514 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -71.8 | -39.5 | 178.9 | -146.5 | 59.6 | -156 | 0 | 0 | 112.3 | T22 R26 R27 M28 | T22-E24 PolarHBondContact O-N 3.5Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-R26 PolarHBondContact O-N 3.5Å; E24-R27 WeakPolarHBondContact O-CB 3.45Å; E24-R27 PolarHBondContact O-N 3.23Å; E24-R27 WeakPolarHBondContact OE2-CD 3.32Å; E24-R27 IonicContact OE2-NH1 3.07Å; E24-R27 PolarHBondContact OE2-NH1 3.14Å; E24-R27 VanDerWaalsContact OE2-NH1 3.17Å; E24-M28 WeakPolarHBondContact O-CB 3.42Å; E24-M28 VanDerWaalsContact O-CG 3.24Å; E24-M28 WeakPolarHBondContact O-CG 2.98Å; E24-M28 PolarHBondContact O-N 3.39Å |
| 25 | E | 77.6 | Confident | 76.3 | Confident | 107 Ų | 107 | 126 Ų | 126 | 50% | 0.5 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.5 | -33.5 | 172.2 | -75.4 | 168.2 | 154 | 0 | 0 | 112.8 | K21 T22 S29 | K21-E25 HydrophobicContact CB-CB 4.2Å; T22-E25 PolarHBondContact N-OE2 3.02Å; T22-E25 PolarHBondContact O-N 3.02Å; T22-E25 WeakPolarHBondContact OG1-CB 3.49Å; T22-E25 WeakPolarHBondContact OG1-CG 3.44Å; T22-E25 PolarHBondContact OG1-N 2.78Å; T22-E25 PolarHBondContact OG1-OE2 3.12Å; E25-S29 WeakPolarHBondContact O-CB 3.4Å; E25-S29 PolarHBondContact O-N 2.87Å |
| 26 | R | 83.6 | Confident | 77.9 | Confident | 123 Ų | 123 | 120.1 Ų | 120.1 | 46% | 0.464 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -67.1 | -46.6 | 172 | -81.7 | -176.9 | -89.3 | 154 | -7.3 | 111.2 | K21 T22 V23 E24 M28 S29 D30 | K21-R26 HydrophobicContact CB-CG 3.79Å; K21-R26 HydrophobicContact CD-CG 4.38Å; K21-R26 PolarHBondContact O-NE 3.37Å; K21-R26 PolarHBondContact O-NH2 3.16Å; T22-R26 PolarHBondContact O-N 3.46Å; V23-R26 PolarHBondContact O-N 3.04Å; E24-R26 VanDerWaalsContact C-N 3.3Å; E24-R26 PolarHBondContact O-N 3.5Å; R26-M28 VanDerWaalsContact C-N 3.34Å; R26-M28 PolarHBondContact O-N 2.84Å; R26-S29 PolarHBondContact O-N 3.48Å; R26-D30 WeakPolarHBondContact O-CB 3.28Å; R26-D30 VanDerWaalsContact O-CG 3.24Å; R26-D30 PolarHBondContact O-N 3.11Å |
| 27 | R | 83.1 | Confident | 79.6 | Confident | 144 Ų | 144 | 116.9 Ų | 116.9 | 54% | 0.543 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.3 | -47.4 | 175.2 | -76 | 172.5 | 171 | -178.2 | -5.3 | 111.7 | V23 E24 D30 L31 | V23-R27 WeakPolarHBondContact O-CG 3.45Å; V23-R27 PolarHBondContact O-N 3.02Å; E24-R27 WeakPolarHBondContact O-CB 3.45Å; E24-R27 PolarHBondContact O-N 3.23Å; E24-R27 WeakPolarHBondContact OE2-CD 3.32Å; E24-R27 IonicContact OE2-NH1 3.07Å; E24-R27 PolarHBondContact OE2-NH1 3.14Å; E24-R27 VanDerWaalsContact OE2-NH1 3.17Å; R27-D30 PolarHBondContact O-N 3.04Å; R27-L31 VanDerWaalsContact O-CB 3.31Å; R27-L31 WeakPolarHBondContact O-CB 3.44Å; R27-L31 WeakPolarHBondContact O-CG 3.35Å; R27-L31 PolarHBondContact O-N 2.69Å |
| 28 | M | 78.1 | Confident | 81 | Confident | 117 Ų | 117 | 111.5 Ų | 111.5 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.7 | -45.8 | 176.9 | -69.7 | -71 | -76 | 0 | 0 | 111.3 | E24 R26 D30 L31 T32 | E24-M28 WeakPolarHBondContact O-CB 3.42Å; E24-M28 VanDerWaalsContact O-CG 3.24Å; E24-M28 WeakPolarHBondContact O-CG 2.98Å; E24-M28 PolarHBondContact O-N 3.39Å; R26-M28 VanDerWaalsContact C-N 3.34Å; R26-M28 PolarHBondContact O-N 2.84Å; M28-D30 PolarHBondContact O-N 3.4Å; M28-L31 PolarHBondContact O-N 2.8Å; M28-T32 WeakPolarHBondContact O-CB 3.41Å; M28-T32 PolarHBondContact O-N 3.35Å; M28-T32 PolarHBondContact O-OG1 3.22Å |
| 29 | S | 84.3 | Confident | 82.4 | Confident | 44 Ų | 44 | 114.1 Ų | 114.1 | 31% | 0.308 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -62.2 | -40.5 | 177.2 | -175.5 | 0 | 0 | 0 | 0 | 112.8 | E25 R26 R33 | E25-S29 WeakPolarHBondContact O-CB 3.4Å; E25-S29 PolarHBondContact O-N 2.87Å; R26-S29 PolarHBondContact O-N 3.48Å; S29-R33 WeakPolarHBondContact O-CB 3.45Å; S29-R33 PolarHBondContact O-N 3.01Å |
| 30 | D | 88.9 | Confident | 83.4 | Confident | 91 Ų | 91 | 113.7 Ų | 113.7 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.4 | -42 | 178.4 | -71.3 | -23.8 | 0 | 0 | 0 | 110.6 | R26 R27 M28 R33 V34 | R26-D30 WeakPolarHBondContact O-CB 3.28Å; R26-D30 VanDerWaalsContact O-CG 3.24Å; R26-D30 PolarHBondContact O-N 3.11Å; R27-D30 PolarHBondContact O-N 3.04Å; M28-D30 PolarHBondContact O-N 3.4Å; D30-R33 PolarHBondContact O-N 2.9Å; D30-V34 WeakPolarHBondContact O-CB 3.33Å; D30-V34 VanDerWaalsContact O-CG2 3.27Å; D30-V34 WeakPolarHBondContact O-CG2 3.47Å; D30-V34 PolarHBondContact O-N 3.23Å |
| 31 | L | 92.1 | Very high | 83.9 | Confident | 104 Ų | 104 | 110.6 Ų | 110.6 | 55% | 0.545 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.3 | -46.8 | 173 | -75.5 | 169.9 | 0 | 0 | 0 | 111.7 | R27 M28 R33 V34 L35 | R27-L31 VanDerWaalsContact O-CB 3.31Å; R27-L31 WeakPolarHBondContact O-CB 3.44Å; R27-L31 WeakPolarHBondContact O-CG 3.35Å; R27-L31 PolarHBondContact O-N 2.69Å; M28-L31 PolarHBondContact O-N 2.8Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.38Å; L31-V34 PolarHBondContact O-N 3.32Å; L31-L35 WeakPolarHBondContact O-CG 3.17Å; L31-L35 PolarHBondContact O-N 3.32Å |
| 32 | T | 90.9 | Very high | 83.5 | Confident | 87 Ų | 87 | 111 Ų | 111 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.8 | -44.6 | 175.4 | -57.4 | 0 | 0 | 0 | 0 | 111 | M28 V34 L35 E36 | M28-T32 WeakPolarHBondContact O-CB 3.41Å; M28-T32 PolarHBondContact O-N 3.35Å; M28-T32 PolarHBondContact O-OG1 3.22Å; T32-V34 PolarHBondContact O-N 3.07Å; T32-L35 PolarHBondContact O-N 3.14Å; T32-E36 WeakPolarHBondContact O-CB 3.5Å; T32-E36 PolarHBondContact O-N 2.68Å |
| 33 | R | 91.1 | Very high | 82.6 | Confident | 177 Ų | 177 | 109.2 Ų | 109.2 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.5 | -34.9 | 179.4 | -170.1 | 176.8 | 166.2 | -166.5 | -3.3 | 112.6 | S29 D30 L31 W37 | S29-R33 WeakPolarHBondContact O-CB 3.45Å; S29-R33 PolarHBondContact O-N 3.01Å; D30-R33 PolarHBondContact O-N 2.9Å; L31-R33 VanDerWaalsContact C-N 3.3Å; L31-R33 PolarHBondContact O-N 3.38Å; R33-W37 VanDerWaalsContact O-CB 3.3Å; R33-W37 WeakPolarHBondContact O-CB 3.45Å; R33-W37 PolarHBondContact O-N 2.81Å |
| 34 | V | 93.1 | Very high | 81.8 | Confident | 80 Ų | 80 | 113.4 Ų | 113.4 | 49% | 0.485 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.9 | -45 | 173.3 | 167.8 | 0 | 0 | 0 | 0 | 110.8 | D30 L31 T32 W37 L38 | D30-V34 WeakPolarHBondContact O-CB 3.33Å; D30-V34 VanDerWaalsContact O-CG2 3.27Å; D30-V34 WeakPolarHBondContact O-CG2 3.47Å; D30-V34 PolarHBondContact O-N 3.23Å; L31-V34 PolarHBondContact O-N 3.32Å; T32-V34 PolarHBondContact O-N 3.07Å; V34-W37 PolarHBondContact O-N 3.5Å; V34-L38 HydrophobicContact CG1-CD1 4.17Å; V34-L38 WeakPolarHBondContact O-CG 3.34Å; V34-L38 PolarHBondContact O-N 2.81Å |
| 35 | L | 90.8 | Very high | 80.7 | Confident | 115 Ų | 115 | 116 Ų | 116 | 60% | 0.602 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.5 | -45.6 | 176.9 | -70.2 | 173.6 | 0 | 0 | 0 | 111.7 | L31 T32 W37 L38 E39 | L31-L35 WeakPolarHBondContact O-CG 3.17Å; L31-L35 PolarHBondContact O-N 3.32Å; T32-L35 PolarHBondContact O-N 3.14Å; L35-W37 VanDerWaalsContact C-N 3.3Å; L35-W37 PolarHBondContact O-N 3.25Å; L35-L38 WeakPolarHBondContact O-CB 3.34Å; L35-L38 PolarHBondContact O-N 3.32Å; L35-E39 WeakPolarHBondContact O-CB 3.49Å; L35-E39 PolarHBondContact O-N 3.25Å |
| 36 | E | 89.9 | Confident | 79.5 | Confident | 78 Ų | 78 | 120.2 Ų | 120.2 | 36% | 0.364 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61 | -38.8 | 176.5 | -166.2 | -164 | 171 | 0 | 0 | 111.9 | T32 R40 | T32-E36 WeakPolarHBondContact O-CB 3.5Å; T32-E36 PolarHBondContact O-N 2.68Å; E36-R40 VanDerWaalsContact CG-NH1 3.29Å; E36-R40 WeakPolarHBondContact O-CG 3.48Å; E36-R40 PolarHBondContact O-N 3.28Å; E36-R40 IonicContact OE1-CZ 3.85Å; E36-R40 IonicContact OE1-NH1 3.71Å; E36-R40 PolarHBondContact OE1-NH1 3.34Å; E36-R40 IonicContact OE1-NH2 3.28Å; E36-R40 PolarHBondContact OE1-NH2 3.17Å; E36-R40 IonicContact OE2-NH1 3.17Å |
| 37 | W | 88.9 | Confident | 77.9 | Confident | 128 Ų | 128 | 122.7 Ų | 122.7 | 49% | 0.485 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -68.2 | -40.3 | 175.4 | -179.2 | 93.2 | 0 | 0 | 0 | 112.6 | R33 V34 L35 R40 R41 | R33-W37 VanDerWaalsContact O-CB 3.3Å; R33-W37 WeakPolarHBondContact O-CB 3.45Å; R33-W37 PolarHBondContact O-N 2.81Å; V34-W37 PolarHBondContact O-N 3.5Å; L35-W37 VanDerWaalsContact C-N 3.3Å; L35-W37 PolarHBondContact O-N 3.25Å; W37-R40 PolarHBondContact O-N 3.38Å; W37-R41 VanDerWaalsContact CZ2-NH1 3.33Å; W37-R41 PolarHBondContact O-N 3.17Å; W37-R41 VanDerWaalsContact O-N 3.09Å |
| 38 | L | 84.2 | Confident | 75.6 | Confident | 82 Ų | 82 | 119.5 Ų | 119.5 | 43% | 0.429 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -63.1 | -43.5 | 174.6 | -75.3 | 171.6 | 0 | 0 | 0 | 111.1 | V34 L35 R41 Q42 | V34-L38 HydrophobicContact CG1-CD1 4.17Å; V34-L38 WeakPolarHBondContact O-CG 3.34Å; V34-L38 PolarHBondContact O-N 2.81Å; L35-L38 WeakPolarHBondContact O-CB 3.34Å; L35-L38 PolarHBondContact O-N 3.32Å; L38-R41 PolarHBondContact O-N 2.93Å; L38-Q42 VanDerWaalsContact O-CG 3.31Å; L38-Q42 WeakPolarHBondContact O-CG 3.46Å; L38-Q42 PolarHBondContact O-N 3.47Å |
| 39 | E | 84.1 | Confident | 74 | Confident | 149 Ų | 149 | 120.2 Ų | 120.2 | 70% | 0.696 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -61.4 | -44.7 | 177.4 | -171.6 | 171.7 | -155.2 | 0 | 0 | 111.8 | L35 R41 Q42 G43 | L35-E39 WeakPolarHBondContact O-CB 3.49Å; L35-E39 PolarHBondContact O-N 3.25Å; E39-R41 VanDerWaalsContact C-N 3.31Å; E39-R41 PolarHBondContact O-N 3.29Å; E39-Q42 PolarHBondContact O-N 2.91Å; E39-G43 PolarHBondContact O-N 2.91Å |
| 40 | R | 81.6 | Confident | 72.1 | Confident | 155 Ų | 155 | 125.1 Ų | 125.1 | 59% | 0.585 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -61.2 | -36.9 | 174.3 | -75.6 | -169.1 | 179.8 | 101 | 3.9 | 113.3 | E36 W37 K44 | E36-R40 VanDerWaalsContact CG-NH1 3.29Å; E36-R40 WeakPolarHBondContact O-CG 3.48Å; E36-R40 PolarHBondContact O-N 3.28Å; E36-R40 IonicContact OE1-CZ 3.85Å; E36-R40 IonicContact OE1-NH1 3.71Å; E36-R40 PolarHBondContact OE1-NH1 3.34Å; E36-R40 IonicContact OE1-NH2 3.28Å; E36-R40 PolarHBondContact OE1-NH2 3.17Å; E36-R40 IonicContact OE2-NH1 3.17Å; W37-R40 PolarHBondContact O-N 3.38Å; R40-K44 PolarHBondContact O-N 2.92Å |
| 41 | R | 75.1 | Confident | 69.9 | Low | 154 Ų | 154 | 127.8 Ų | 127.8 | 58% | 0.581 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -74 | -35.7 | 177.4 | -81.9 | -167.5 | 164.9 | -165.8 | 0.4 | 112.7 | W37 L38 E39 G43 K44 K45 | W37-R41 VanDerWaalsContact CZ2-NH1 3.33Å; W37-R41 PolarHBondContact O-N 3.17Å; W37-R41 VanDerWaalsContact O-N 3.09Å; L38-R41 PolarHBondContact O-N 2.93Å; E39-R41 VanDerWaalsContact C-N 3.31Å; E39-R41 PolarHBondContact O-N 3.29Å; R41-G43 VanDerWaalsContact C-N 3.34Å; R41-K44 PolarHBondContact O-N 3.26Å; R41-K45 PolarHBondContact O-N 3.02Å; R41-K45 VanDerWaalsContact O-N 3.08Å |
| 42 | Q | 67.1 | Low | 67.3 | Low | 122 Ų | 122 | 132.2 Ų | 132.2 | 57% | 0.57 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -37.5 | 174.3 | -69.3 | -74.4 | 35.4 | 0 | 0 | 111.5 | L38 E39 K44 K45 K46 | L38-Q42 VanDerWaalsContact O-CG 3.31Å; L38-Q42 WeakPolarHBondContact O-CG 3.46Å; L38-Q42 PolarHBondContact O-N 3.47Å; E39-Q42 PolarHBondContact O-N 2.91Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.05Å; Q42-K45 PolarHBondContact O-N 3.28Å; Q42-K46 PolarHBondContact O-N 3.32Å |
| 43 | G | 58.5 | Low | 64.6 | Low | 42 Ų | 42 | 136.6 Ų | 136.6 | 43% | 0.433 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -62 | -36.9 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | E39 R41 | E39-G43 PolarHBondContact O-N 2.91Å; R41-G43 VanDerWaalsContact C-N 3.34Å |
| 44 | K | 57.8 | Low | 62.1 | Low | 172 Ų | 172 | 133.8 Ų | 133.8 | 75% | 0.748 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -74.6 | -26.9 | 175.1 | -70.3 | -159 | 177.3 | -164.3 | 0 | 113.8 | R40 R41 Q42 K46 Q47 | R40-K44 PolarHBondContact O-N 2.92Å; R41-K44 PolarHBondContact O-N 3.26Å; Q42-K44 VanDerWaalsContact C-N 3.34Å; Q42-K44 PolarHBondContact O-N 3.05Å; K44-K46 VanDerWaalsContact C-N 3.3Å; K44-Q47 PolarHBondContact O-N 3.24Å |
| 45 | K | 53.2 | Low | 59.1 | Low | 166 Ų | 166 | 139.5 Ų | 139.5 | 72% | 0.722 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -74.7 | -20.1 | 176.4 | -153.4 | -178.4 | -179.1 | -172.5 | 0 | 112.8 | R41 Q42 Q47 | R41-K45 PolarHBondContact O-N 3.02Å; R41-K45 VanDerWaalsContact O-N 3.08Å; Q42-K45 PolarHBondContact O-N 3.28Å; K45-Q47 VanDerWaalsContact C-N 3.34Å |
| 46 | K | 52.5 | Low | 56.4 | Low | 194 Ų | 194 | 140.1 Ų | 140.1 | 84% | 0.843 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -6.5 | 172.9 | -66.5 | -158.3 | 178.9 | -172.1 | 0 | 114.3 | Q42 K44 | Q42-K46 PolarHBondContact O-N 3.32Å; K44-K46 VanDerWaalsContact C-N 3.3Å |
| 47 | Q | 50 | Low | 53.8 | Low | 175 Ų | 175 | 142.7 Ų | 142.7 | 82% | 0.818 | 70% | 0.697 | S | S | * | * | trans | -113.5 | 60.9 | 170 | -68.6 | -173 | 46.1 | 0 | 0 | 109.9 | K44 K45 | K44-Q47 PolarHBondContact O-N 3.24Å; K45-Q47 VanDerWaalsContact C-N 3.34Å | ||
| 48 | A | 35.8 | Very low | 51.1 | Low | 77 Ų | 77 | 143.5 Ų | 143.5 | 64% | 0.636 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -95.1 | 138.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 108.1 | E50 | A48-E50 PolarHBondContact O-N 2.72Š|
| 49 | P | 44.6 | Very low | 48.3 | Very low | 132 Ų | 132 | 145.1 Ų | 145.1 | 86% | 0.857 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -66.2 | 128.7 | -168.9 | 26 | -33.6 | 0 | 0 | 0 | 112 | ||
| 50 | E | 43.9 | Very low | 45.8 | Very low | 148 Ų | 148 | 145.9 Ų | 145.9 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 135.4 | 166.4 | 179.3 | 179.5 | 169.6 | 0 | 0 | 110.6 | A48 | A48-E50 PolarHBondContact O-N 2.72Š|
| 51 | K | 43.7 | Very low | 43.4 | Very low | 147 Ų | 147 | 148.4 Ų | 148.4 | 64% | 0.639 | 75% | 0.746 | S | S | * | * | trans | 76.8 | 99.3 | 161 | -70.1 | 159.2 | -178.2 | 160.4 | 0 | 119.2 | ||||
| 52 | Q | 35.7 | Very low | 41 | Very low | 197 Ų | 197 | 144.5 Ų | 144.5 | 92% | 0.921 | 75% | 0.754 | S | S | * | * | -125.3 | 117 | 121.2 | -71.7 | -170.2 | -2.7 | 0 | 0 | 108.9 | |||||
| 53 | K | 35.8 | Very low | 39.1 | Very low | 179 Ų | 179 | 145.3 Ų | 145.3 | 78% | 0.778 | 76% | 0.762 | S | S | * | * | trans | -78 | 130.6 | 177.8 | -63.7 | 179 | 177.7 | -177.6 | 0 | 109.3 | ||||
| 54 | P | 37.7 | Very low | 37.6 | Very low | 117 Ų | 117 | 150 Ų | 150 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | trans | -77 | 127.3 | 160.9 | 29.5 | -28.5 | 0 | 0 | 0 | 109.3 | V56 | P54-V56 PolarHBondContact O-N 2.89Š| ||
| 55 | K | 30.6 | Very low | 36.3 | Very low | 201 Ų | 201 | 150.2 Ų | 150.2 | 87% | 0.874 | 77% | 0.773 | S | S | * | * | trans | -78 | 100.6 | 178.7 | -150.9 | 162.3 | -173.7 | 176.4 | 0 | 108.2 | ||||
| 56 | V | 33.9 | Very low | 35.2 | Very low | 127 Ų | 127 | 151.1 Ų | 151.1 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -69.9 | 122.9 | 170.4 | 174.9 | 0 | 0 | 0 | 0 | 108.3 | P54 | P54-V56 PolarHBondContact O-N 2.89Š| ||
| 57 | V | 34.5 | Very low | 34.2 | Very low | 132 Ų | 132 | 149 Ų | 149 | 80% | 0.8 | 77% | 0.77 | S | S | * | * | trans | -109.6 | 102.9 | 173.1 | 173.7 | 0 | 0 | 0 | 0 | 108 | ||||
| 58 | I | 31.9 | Very low | 33.2 | Very low | 145 Ų | 145 | 147.2 Ų | 147.2 | 74% | 0.744 | 76% | 0.762 | S | S | * | * | trans | -160.2 | 132.4 | 150.9 | -35 | 177.2 | 0 | 0 | 0 | 102.9 | ||||
| 59 | V | 27.1 | Very low | 33.1 | Very low | 116 Ų | 116 | 151 Ų | 151 | 70% | 0.703 | 76% | 0.764 | S | S | * | * | cis | -163.6 | 140.4 | 44.7 | -169.5 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 60 | L | 31.4 | Very low | 32.4 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 87% | 0.869 | 77% | 0.765 | S | S | * | * | 176.1 | 125 | 96.6 | -89.4 | 160.1 | 0 | 0 | 0 | 109.5 | |||||
| 61 | K | 29.8 | Very low | 31.8 | Very low | 207 Ų | 207 | 150.4 Ų | 150.4 | 90% | 0.9 | 77% | 0.765 | S | S | * | * | trans | -93.7 | 127.6 | 169.3 | -175.4 | 178.9 | -177.5 | 179.5 | 0 | 107.1 | ||||
| 62 | G | 26.4 | Very low | 31.4 | Very low | 73 Ų | 73 | 154 Ų | 154 | 75% | 0.753 | 78% | 0.781 | S | S | * | * | trans | -174.9 | 86.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 63 | N | 26.2 | Very low | 31.1 | Very low | 138 Ų | 138 | 147.8 Ų | 147.8 | 74% | 0.738 | 77% | 0.77 | S | S | * | * | trans | 18 | 139 | 150.4 | -71.2 | 2.6 | 0 | 0 | 0 | 123.8 | ||||
| 64 | E | 28.2 | Very low | 31 | Very low | 141 Ų | 141 | 146.7 Ų | 146.7 | 66% | 0.659 | 77% | 0.772 | S | S | * | * | trans | 96 | 118.3 | 133.5 | -81 | 178.2 | -139.8 | 0 | 0 | 122.4 | ||||
| 65 | K | 29.4 | Very low | 30.9 | Very low | 176 Ų | 176 | 149.1 Ų | 149.1 | 77% | 0.765 | 78% | 0.775 | S | S | * | * | trans | 75.4 | 108.8 | 136.7 | -68.2 | 169.9 | 178.3 | 151.8 | 0 | 120.9 | ||||
| 66 | K | 30.8 | Very low | 31 | Very low | 186 Ų | 186 | 148.2 Ų | 148.2 | 81% | 0.809 | 78% | 0.776 | S | S | * | * | 172.4 | 108.2 | 122.4 | -109.8 | 179.6 | 163.1 | 175.6 | 0 | 108.9 | |||||
| 67 | E | 30.5 | Very low | 31.1 | Very low | 148 Ų | 148 | 146 Ų | 146 | 69% | 0.692 | 77% | 0.771 | S | S | * | * | 82.2 | 117.4 | 86.4 | -163.2 | 179.5 | -156.7 | 0 | 0 | 112.6 | |||||
| 68 | E | 30.5 | Very low | 30.9 | Very low | 138 Ų | 138 | 151.9 Ų | 151.9 | 65% | 0.645 | 78% | 0.779 | S | S | * | * | trans | 48.1 | 137.1 | 154.1 | -64.9 | -169.2 | 159.3 | 0 | 0 | 119.8 | ||||
| 69 | K | 32.1 | Very low | 30.7 | Very low | 157 Ų | 157 | 148.6 Ų | 148.6 | 68% | 0.683 | 78% | 0.781 | S | S | * | * | 178.3 | 150.2 | 54.7 | -135.3 | 152.1 | -172.9 | 136.6 | 0 | 109.4 | |||||
| 70 | K | 31.5 | Very low | 30.9 | Very low | 200 Ų | 200 | 146.7 Ų | 146.7 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | trans | 56.1 | 130.4 | 152 | -74.1 | 173.6 | 175.3 | -177.1 | 0 | 117.9 | ||||
| 71 | G | 30.9 | Very low | 31.1 | Very low | 68 Ų | 68 | 145.2 Ų | 145.2 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | cis | 164 | 155.7 | 6.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 72 | K | 34.9 | Very low | 31.3 | Very low | 222 Ų | 222 | 143 Ų | 143 | 97% | 0.965 | 77% | 0.77 | S | S | * | * | trans | 57.1 | 124 | 146.3 | -57.8 | -174.3 | 178.1 | -172.8 | 0 | 120.5 | ||||
| 73 | G | 29.5 | Very low | 31.8 | Very low | 67 Ų | 67 | 148.8 Ų | 148.8 | 69% | 0.691 | 77% | 0.774 | S | S | * | * | trans | 138.6 | 90.5 | 149.6 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 74 | L | 33.9 | Very low | 32.3 | Very low | 156 Ų | 156 | 146.6 Ų | 146.6 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | 43.9 | 120.4 | 90.8 | -85.1 | 134.1 | 0 | 0 | 0 | 111.3 | |||||
| 75 | M | 35.8 | Very low | 32.5 | Very low | 168 Ų | 168 | 146.3 Ų | 146.3 | 83% | 0.828 | 78% | 0.784 | S | S | * | * | cis | -156.5 | 153.6 | 34.7 | -62.6 | -172.4 | 120 | 0 | 0 | 112.5 | ||||
| 76 | M | 31.6 | Very low | 32.9 | Very low | 182 Ų | 182 | 146.2 Ų | 146.2 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -47 | 162.1 | 152.1 | -61.8 | -81.4 | -142.5 | 0 | 0 | 110.8 | ||||
| 77 | A | 36 | Very low | 33 | Very low | 81 Ų | 81 | 144.3 Ų | 144.3 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -177.2 | 154 | 43.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 78 | R | 30.7 | Very low | 33.1 | Very low | 255 Ų | 255 | 145.9 Ų | 145.9 | 96% | 0.962 | 80% | 0.795 | S | S | * | * | 66.6 | 128.3 | 125.3 | -164.6 | 175 | -175.7 | 178.7 | 0.7 | 117.7 | |||||
| 79 | G | 28.6 | Very low | 33.4 | Very low | 76 Ų | 76 | 148.7 Ų | 148.7 | 78% | 0.784 | 81% | 0.808 | S | S | * | * | cis | 149 | 159.9 | 12.1 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 80 | G | 31.4 | Very low | 33.8 | Very low | 75 Ų | 75 | 148.4 Ų | 148.4 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 106.4 | 87.9 | 163 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 81 | N | 34.1 | Very low | 33.9 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | 68.8 | 101.7 | 74.6 | -74.5 | -10.6 | 0 | 0 | 0 | 116.9 | |||||
| 82 | H | 35.3 | Very low | 34.1 | Very low | 159 Ų | 159 | 148.6 Ų | 148.6 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | 55.4 | 128 | 127.5 | -51.2 | -64.3 | 0 | 0 | 0 | 122.5 | |||||
| 83 | K | 35.4 | Very low | 33.8 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 85% | 0.848 | 81% | 0.814 | S | S | * | * | 160.5 | 123.8 | 104.6 | -81 | -179.2 | -173.5 | -178 | 0 | 109.3 | |||||
| 84 | A | 37 | Very low | 34.1 | Very low | 93 Ų | 93 | 148 Ų | 148 | 77% | 0.769 | 82% | 0.821 | S | S | * | * | 54.9 | 132.4 | 95.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | |||||
| 85 | T | 32.1 | Very low | 34 | Very low | 135 Ų | 135 | 152 Ų | 152 | 83% | 0.828 | 83% | 0.826 | S | S | * | * | cis | -170.5 | 163.4 | 41.7 | -38 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 86 | E | 38.3 | Very low | 33.8 | Very low | 174 Ų | 174 | 153.5 Ų | 153.5 | 81% | 0.813 | 83% | 0.828 | S | S | * | * | trans | -60.2 | 157.7 | 178 | -59.1 | 167.6 | 146.3 | 0 | 0 | 116.1 | ||||
| 87 | T | 32.1 | Very low | 34.1 | Very low | 145 Ų | 145 | 155.8 Ų | 155.8 | 89% | 0.89 | 83% | 0.827 | S | S | * | * | trans | -172.1 | 149.9 | 134.9 | 16.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 88 | F | 33.7 | Very low | 34.1 | Very low | 182 Ų | 182 | 160.4 Ų | 160.4 | 80% | 0.798 | 83% | 0.832 | S | S | * | * | trans | -57.2 | 156 | -175.6 | -77.9 | -109.7 | 0 | 0 | 0 | 117.1 | ||||
| 89 | Q | 37.6 | Very low | 34.2 | Very low | 197 Ų | 197 | 154.3 Ų | 154.3 | 92% | 0.921 | 82% | 0.818 | S | S | * | * | -173.2 | 140.5 | 121.1 | -101.4 | 179.1 | 73.1 | 0 | 0 | 115.1 | |||||
| 90 | L | 40.2 | Very low | 34.5 | Very low | 151 Ų | 151 | 158.8 Ų | 158.8 | 79% | 0.791 | 82% | 0.816 | S | S | * | * | trans | -76.4 | 152.2 | 170.1 | -80.5 | 96.7 | 0 | 0 | 0 | 111.9 | ||||
| 91 | A | 32.3 | Very low | 34.8 | Very low | 102 Ų | 102 | 162.1 Ų | 162.1 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -154.3 | 125.6 | 147.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 92 | L | 35.3 | Very low | 35.5 | Very low | 170 Ų | 170 | 160.6 Ų | 160.6 | 89% | 0.89 | 82% | 0.822 | S | S | * | * | trans | -61.9 | 151.3 | 167.8 | -89.5 | 83.2 | 0 | 0 | 0 | 112.4 | ||||
| 93 | G | 28.9 | Very low | 36.2 | Very low | 79 Ų | 79 | 159.1 Ų | 159.1 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | trans | -179.6 | 100.2 | 161 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 94 | K | 36.2 | Very low | 36.9 | Very low | 196 Ų | 196 | 154.8 Ų | 154.8 | 85% | 0.852 | 82% | 0.818 | S | S | * | * | trans | -61.4 | 149.4 | 172.4 | -59.4 | 176.3 | 178.1 | -176.6 | 0 | 112.5 | ||||
| 95 | R | 30.6 | Very low | 37.3 | Very low | 241 Ų | 241 | 161 Ų | 161 | 91% | 0.909 | 82% | 0.823 | S | S | * | * | 159.1 | 154 | 110.9 | -81.4 | -175.6 | -145.7 | -146 | 7.7 | 114.1 | |||||
| 96 | F | 33.4 | Very low | 38 | Very low | 200 Ų | 200 | 166 Ų | 166 | 88% | 0.877 | 83% | 0.827 | S | S | * | * | trans | -77.4 | 170.8 | -168 | -84 | -102.9 | 0 | 0 | 0 | 117.7 | ||||
| 97 | R | 36.6 | Very low | 38.6 | Very low | 230 Ų | 230 | 169 Ų | 169 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | 112.8 | 135.8 | 145.4 | -57.6 | -163.4 | -165.9 | -151.9 | 7 | 112.7 | ||||
| 98 | K | 36.5 | Very low | 39.2 | Very low | 178 Ų | 178 | 170 Ų | 170 | 77% | 0.774 | 83% | 0.83 | S | S | * | * | cis | -166.8 | 124.2 | 23.5 | -159 | 161.5 | 173.1 | -174.2 | 0 | 106.3 | ||||
| 99 | D | 33.2 | Very low | 39.6 | Very low | 126 Ų | 126 | 172.5 Ų | 172.5 | 67% | 0.674 | 84% | 0.836 | S | S | * | * | 89.5 | 146.7 | 92.9 | -159.3 | 15 | 0 | 0 | 0 | 115.3 | |||||
| 100 | K | 35.3 | Very low | 39.8 | Very low | 171 Ų | 171 | 166.9 Ų | 166.9 | 74% | 0.743 | 83% | 0.831 | S | S | * | * | trans | 83.8 | 119.7 | 175.2 | -53.4 | 179.7 | -178.4 | -174.1 | 0 | 115.5 | ||||
| 101 | D | 37.6 | Very low | 40 | Very low | 145 Ų | 145 | 166.1 Ų | 166.1 | 78% | 0.775 | 83% | 0.832 | S | S | * | * | cis | -150 | 132.9 | 22.5 | -80.5 | -44.5 | 0 | 0 | 0 | 111.6 | ||||
| 102 | A | 48.8 | Very low | 40.7 | Very low | 103 Ų | 103 | 169.3 Ų | 169.3 | 85% | 0.851 | 83% | 0.829 | S | S | * | * | trans | -113 | 75.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 103 | V | 49 | Very low | 41.3 | Very low | 129 Ų | 129 | 170.4 Ų | 170.4 | 78% | 0.782 | 83% | 0.83 | S | S | * | * | trans | -138.2 | 47.6 | -179.9 | -162.5 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 104 | S | 50.5 | Low | 42.3 | Very low | 103 Ų | 103 | 176.1 Ų | 176.1 | 72% | 0.72 | 83% | 0.832 | S | S | * | * | S | Bend | trans | -121.3 | -5.6 | 173.9 | 54.7 | 0 | 0 | 0 | 0 | 115.9 | ||
| 105 | Y | 44.7 | Very low | 42.7 | Very low | 224 Ų | 224 | 170.4 Ų | 170.4 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | S | Bend | trans | -120.7 | 11.5 | -175.3 | -83.3 | -86.9 | 0 | 0 | 0 | 116.1 | ||
| 106 | R | 48.4 | Very low | 44 | Very low | 241 Ų | 241 | 168.6 Ų | 168.6 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -104.3 | 52.3 | 180 | -156.7 | -177.5 | -153.1 | -125.3 | 3.6 | 113.2 | ||||
| 107 | R | 49.7 | Very low | 44.9 | Very low | 236 Ų | 236 | 170.1 Ų | 170.1 | 89% | 0.891 | 83% | 0.828 | S | S | * | * | S | Bend | trans | -145 | 32.2 | 174.6 | -140.8 | -177.5 | -156.1 | -164.1 | 5.7 | 116.2 | ||
| 108 | L | 45.8 | Very low | 45.7 | Very low | 165 Ų | 165 | 167 Ų | 167 | 86% | 0.864 | 83% | 0.827 | S | S | * | * | S | Bend | trans | -130 | 8.1 | 171 | -71.6 | 176.2 | 0 | 0 | 0 | 115.5 | ||
| 109 | Y | 42.1 | Very low | 46.4 | Very low | 236 Ų | 236 | 164.2 Ų | 164.2 | 93% | 0.925 | 83% | 0.831 | S | S | * | * | trans | -122.8 | 97 | 169.3 | -73.4 | -80.5 | 0 | 0 | 0 | 110.1 | V111 | Y109-V111 PolarHBondContact O-N 3.45Š| ||
| 110 | G | 41.9 | Very low | 47.2 | Very low | 79 Ų | 79 | 166 Ų | 166 | 81% | 0.814 | 84% | 0.837 | S | S | * | * | trans | -73.8 | 113.3 | 166 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 111 | V | 42.8 | Very low | 47.8 | Very low | 135 Ų | 135 | 164.4 Ų | 164.4 | 82% | 0.818 | 84% | 0.841 | S | S | * | * | trans | 17.3 | 121.6 | 144.5 | 175.5 | 0 | 0 | 0 | 0 | 117.9 | Y109 | Y109-V111 PolarHBondContact O-N 3.45Š| ||
| 112 | E | 47.7 | Very low | 48.4 | Very low | 168 Ų | 168 | 162.3 Ų | 162.3 | 79% | 0.785 | 84% | 0.835 | S | S | * | * | trans | -47.5 | 146.8 | 162.7 | -60 | -169.4 | 143.1 | 0 | 0 | 114.2 | ||||
| 113 | Q | 47.2 | Very low | 48 | Very low | 193 Ų | 193 | 161.3 Ų | 161.3 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -135.9 | 127.9 | 137 | -72.7 | -159.9 | 0.7 | 0 | 0 | 111.5 | ||||
| 114 | K | 49.9 | Very low | 47.7 | Very low | 199 Ų | 199 | 159.6 Ų | 159.6 | 87% | 0.865 | 83% | 0.829 | S | S | * | * | trans | -47.4 | 138.7 | 171 | -71.5 | -178.7 | 170.6 | 174.2 | 0 | 112.7 | ||||
| 115 | G | 45.7 | Very low | 47.4 | Very low | 77 Ų | 77 | 165.5 Ų | 165.5 | 79% | 0.794 | 84% | 0.837 | S | S | * | * | trans | -144.7 | 85.1 | 163.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | R117 | G115-R117 PolarHBondContact O-N 2.9Š| ||
| 116 | K | 58.3 | Low | 47.3 | Very low | 202 Ų | 202 | 160.5 Ų | 160.5 | 88% | 0.878 | 83% | 0.83 | S | S | * | * | trans | -63.7 | 121.6 | 160.9 | -72.7 | 175.8 | 175.2 | -177 | 0 | 107.9 | ||||
| 117 | R | 51.6 | Low | 47.3 | Very low | 233 Ų | 233 | 158.6 Ų | 158.6 | 88% | 0.879 | 83% | 0.828 | S | S | * | * | trans | -179 | 111.5 | 140.6 | -101.2 | 164.6 | 175.3 | -139.7 | -5.5 | 112.7 | G115 | G115-R117 PolarHBondContact O-N 2.9Š| ||
| 118 | L | 52.2 | Low | 47.1 | Very low | 163 Ų | 163 | 154.7 Ų | 154.7 | 85% | 0.853 | 83% | 0.825 | S | S | * | * | trans | 35.8 | 115.6 | 132 | -51.9 | 172.6 | 0 | 0 | 0 | 118.6 | ||||
| 119 | S | 51.9 | Low | 46.8 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 84% | 0.839 | 82% | 0.818 | S | S | * | * | -167.8 | 128.9 | 106.6 | 59.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 120 | M | 49.4 | Very low | 47.2 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 138 | 172.4 | -66 | 174.8 | 55.2 | 0 | 0 | 109.6 | ||||
| 121 | V | 49.1 | Very low | 47 | Very low | 138 Ų | 138 | 149.7 Ų | 149.7 | 84% | 0.836 | 81% | 0.81 | S | S | * | * | trans | -148.3 | 101.5 | 143 | -175 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 122 | P | 50.3 | Low | 47.1 | Very low | 100 Ų | 100 | 153.1 Ų | 153.1 | 65% | 0.649 | 81% | 0.814 | S | S | * | * | trans | -89.8 | 112.7 | 159.1 | 2.3 | 17.4 | 0 | 0 | 0 | 108.8 | S124 | P122-S124 PolarHBondContact O-N 3.12Š| ||
| 123 | G | 40.6 | Very low | 47.1 | Very low | 82 Ų | 82 | 150.6 Ų | 150.6 | 85% | 0.845 | 81% | 0.814 | S | S | * | * | trans | -81.6 | 86.1 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 124 | S | 41.5 | Very low | 46.7 | Very low | 94 Ų | 94 | 148.6 Ų | 148.6 | 66% | 0.657 | 81% | 0.81 | S | S | * | * | trans | -89 | 119.1 | 166.4 | 57 | 0 | 0 | 0 | 0 | 110.3 | P122 | P122-S124 PolarHBondContact O-N 3.12Š| ||
| 125 | Y | 44.8 | Very low | 46.6 | Very low | 227 Ų | 227 | 145.2 Ų | 145.2 | 89% | 0.89 | 81% | 0.806 | S | S | * | * | trans | -121.1 | 95.5 | 151.1 | -98.9 | -87.1 | 0 | 0 | 0 | 108.2 | ||||
| 126 | V | 43.3 | Very low | 46.5 | Very low | 119 Ų | 119 | 147.6 Ų | 147.6 | 72% | 0.721 | 80% | 0.801 | S | S | * | * | trans | -87.6 | 125.2 | 153.8 | 176.1 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 127 | K | 47.2 | Very low | 45.9 | Very low | 201 Ų | 201 | 146.2 Ų | 146.2 | 87% | 0.874 | 80% | 0.801 | S | S | * | * | trans | -136.2 | 91 | 158.8 | -155.1 | 179.3 | -175.1 | -174.5 | 0 | 107.4 | ||||
| 128 | D | 44.8 | Very low | 45.8 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -65.4 | 143.1 | 160.7 | -84.3 | -49.5 | 0 | 0 | 0 | 110 | ||||
| 129 | G | 39.7 | Very low | 45.1 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | trans | -178.8 | 143.2 | 163.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 130 | P | 50.3 | Low | 44.5 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 74% | 0.74 | 79% | 0.787 | S | S | * | * | trans | -124 | 175.1 | -136.2 | 39.5 | -24.4 | 0 | 0 | 0 | 116.2 | ||||
| 131 | K | 38.6 | Very low | 43.9 | Very low | 191 Ų | 191 | 139.4 Ų | 139.4 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 80.1 | 119.2 | 163.1 | -60.3 | 174.9 | 176.9 | 179.5 | 0 | 116.1 | ||||
| 132 | K | 44.9 | Very low | 43.1 | Very low | 208 Ų | 208 | 139.9 Ų | 139.9 | 90% | 0.904 | 79% | 0.786 | S | S | * | * | 59.1 | 104.4 | 68.9 | -73.9 | -157.3 | -179.8 | -172.4 | 0 | 115.2 | |||||
| 133 | S | 48.7 | Very low | 43.2 | Very low | 114 Ų | 114 | 139.6 Ų | 139.6 | 80% | 0.797 | 78% | 0.784 | S | S | * | * | trans | 176.3 | 148.4 | 142.1 | 56.2 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 134 | D | 37.6 | Very low | 42.9 | Very low | 152 Ų | 152 | 144.5 Ų | 144.5 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | cis | -157.4 | 135.5 | 2 | -140.6 | -19.6 | 0 | 0 | 0 | 105.7 | ||||
| 135 | T | 48.7 | Very low | 42.6 | Very low | 128 Ų | 128 | 144.9 Ų | 144.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -81.1 | 150.9 | 157.8 | 38.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 136 | D | 42.3 | Very low | 42.1 | Very low | 127 Ų | 127 | 139.9 Ų | 139.9 | 68% | 0.679 | 78% | 0.781 | S | S | * | * | trans | 106 | 111.2 | 162 | -151.5 | 30.4 | 0 | 0 | 0 | 115.2 | K138 | D136-K138 PolarHBondContact OD1-N 3.21Š| ||
| 137 | I | 46.9 | Very low | 41.9 | Very low | 172 Ų | 172 | 142.9 Ų | 142.9 | 88% | 0.882 | 79% | 0.787 | S | S | * | * | -147.8 | 106.8 | 124 | -86.2 | 145.6 | 0 | 0 | 0 | 105.1 | |||||
| 138 | K | 48.8 | Very low | 41.4 | Very low | 152 Ų | 152 | 145 Ų | 145 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -68.5 | 166.2 | 163 | -74.7 | 177 | 170.6 | -179.3 | 0 | 111.7 | D136 | D136-K138 PolarHBondContact OD1-N 3.21Š| ||
| 139 | D | 38.3 | Very low | 41.5 | Very low | 148 Ų | 148 | 143 Ų | 143 | 79% | 0.791 | 79% | 0.785 | S | S | * | * | trans | 77.9 | 109.1 | 151.3 | -56.2 | -32.4 | 0 | 0 | 0 | 117.1 | ||||
| 140 | A | 37.8 | Very low | 41.5 | Very low | 100 Ų | 100 | 145.2 Ų | 145.2 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | 172.6 | 136.7 | 92 | 0 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 141 | V | 37.9 | Very low | 41.2 | Very low | 137 Ų | 137 | 144.8 Ų | 144.8 | 83% | 0.83 | 78% | 0.778 | S | S | * | * | trans | -64.4 | 131.1 | 168.7 | 176.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 142 | N | 33.2 | Very low | 41.2 | Very low | 148 Ų | 148 | 145.7 Ų | 145.7 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | 178.4 | 145 | 119.9 | -135.5 | 10.6 | 0 | 0 | 0 | 112.1 | |||||
| 143 | P | 51.4 | Low | 40.8 | Very low | 95 Ų | 95 | 139.8 Ų | 139.8 | 62% | 0.617 | 77% | 0.768 | S | S | * | * | trans | -88.4 | 174.4 | 166.1 | 32.4 | -18.7 | 0 | 0 | 0 | 111.2 | ||||
| 144 | E | 34.3 | Very low | 40.4 | Very low | 184 Ų | 184 | 144 Ų | 144 | 86% | 0.86 | 77% | 0.766 | S | S | * | * | trans | 94.9 | 116.3 | 154.3 | -141.8 | 165.1 | 178.5 | 0 | 0 | 119 | ||||
| 145 | S | 35.9 | Very low | 40.5 | Very low | 103 Ų | 103 | 143.9 Ų | 143.9 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | 124.3 | 132.1 | 122.1 | -155.6 | 0 | 0 | 0 | 0 | 119.2 | |||||
| 146 | T | 34.2 | Very low | 40.2 | Very low | 122 Ų | 122 | 143.1 Ų | 143.1 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | trans | 83 | 101.6 | 157.4 | -14.5 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 147 | Q | 38.3 | Very low | 40.3 | Very low | 181 Ų | 181 | 143.4 Ų | 143.4 | 85% | 0.846 | 77% | 0.766 | S | S | * | * | cis | 84.4 | 117 | 42.2 | -151.7 | -176.1 | 38.6 | 0 | 0 | 115.4 | ||||
| 148 | R | 36.8 | Very low | 40.3 | Very low | 245 Ų | 245 | 141.4 Ų | 141.4 | 93% | 0.925 | 76% | 0.762 | S | S | * | * | trans | -149 | 157.6 | 156 | -91.6 | -163.4 | -176.3 | 153.4 | 3.1 | 109.6 | ||||
| 149 | P | 45.9 | Very low | 40 | Very low | 113 Ų | 113 | 141.9 Ų | 141.9 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | -114.2 | 157.2 | -122.4 | 39.7 | -34.6 | 0 | 0 | 0 | 118.3 | |||||
| 150 | N | 41.3 | Very low | 40.1 | Very low | 115 Ų | 115 | 141.3 Ų | 141.3 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | 9.7 | 145.1 | 144.4 | -148.1 | 15.3 | 0 | 0 | 0 | 120.2 | F152 | N150-F152 PolarHBondContact OD1-N 2.97Š| ||
| 151 | P | 42.8 | Very low | 40.7 | Very low | 105 Ų | 105 | 140.5 Ų | 140.5 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | S | Bend | -153.3 | 97 | 85.1 | 36.8 | -14.7 | 0 | 0 | 0 | 114.7 | |||
| 152 | F | 40 | Very low | 40.9 | Very low | 210 Ų | 210 | 141.8 Ų | 141.8 | 92% | 0.921 | 75% | 0.753 | S | S | * | * | trans | -152.2 | 83.7 | 141.1 | -79.4 | -63.3 | 0 | 0 | 0 | 107.8 | N150 | N150-F152 PolarHBondContact OD1-N 2.97Š| ||
| 153 | S | 35.7 | Very low | 41.9 | Very low | 85 Ų | 85 | 142.1 Ų | 142.1 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | trans | -70.5 | 155.2 | 174.3 | -176.6 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 154 | R | 39.8 | Very low | 41.4 | Very low | 203 Ų | 203 | 147.1 Ų | 147.1 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | trans | 95 | 128.2 | 164.3 | -57.9 | -177.8 | 178.1 | -92.5 | -2.4 | 114.2 | ||||
| 155 | Q | 39.7 | Very low | 41.7 | Very low | 149 Ų | 149 | 145.7 Ų | 145.7 | 70% | 0.696 | 77% | 0.767 | S | S | * | * | cis | -162.8 | 138.1 | 8.3 | -106.3 | 153.4 | -5.3 | 0 | 0 | 107.5 | ||||
| 156 | S | 43 | Very low | 41.9 | Very low | 112 Ų | 112 | 144 Ų | 144 | 78% | 0.783 | 77% | 0.767 | S | S | * | * | trans | -68.2 | 134.8 | 163.9 | 50.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 157 | V | 44.7 | Very low | 42.5 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 80% | 0.8 | 77% | 0.765 | S | S | * | * | trans | -142.1 | 115.2 | 145.5 | -151.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 158 | V | 46.9 | Very low | 42.8 | Very low | 131 Ų | 131 | 144.5 Ų | 144.5 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -62.6 | 132.2 | 162.5 | 169.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 159 | L | 41.1 | Very low | 42.8 | Very low | 162 Ų | 162 | 138.8 Ų | 138.8 | 85% | 0.848 | 76% | 0.764 | S | S | * | * | trans | -172.9 | 112.7 | 147.8 | -100.3 | 141.8 | 0 | 0 | 0 | 109.9 | ||||
| 160 | D | 40.7 | Very low | 43 | Very low | 135 Ų | 135 | 138 Ų | 138 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -88.5 | -174.7 | 156.2 | -169.1 | 31.1 | 0 | 0 | 0 | 108.3 | ||||
| 161 | P | 50.9 | Low | 43.5 | Very low | 84 Ų | 84 | 143.1 Ų | 143.1 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | -95.6 | 176.8 | -96.7 | 31.4 | -13.9 | 0 | 0 | 0 | 112.5 | |||||
| 162 | M | 42.6 | Very low | 43.9 | Very low | 164 Ų | 164 | 150.1 Ų | 150.1 | 81% | 0.808 | 78% | 0.784 | S | S | * | * | trans | 96.5 | 132.6 | 166.8 | -55.1 | -74.6 | 101.7 | 0 | 0 | 116.1 | ||||
| 163 | L | 53 | Low | 44.5 | Very low | 155 Ų | 155 | 144.3 Ų | 144.3 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 90.6 | 87.3 | 169.1 | -49.4 | 179.1 | 0 | 0 | 0 | 116.7 | ||||
| 164 | Q | 42.3 | Very low | 45.3 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 93% | 0.93 | 78% | 0.776 | S | S | * | * | -133.8 | 87.8 | 129.9 | -90.2 | -171.8 | 3.6 | 0 | 0 | 108.9 | |||||
| 165 | D | 40.4 | Very low | 46 | Very low | 154 Ų | 154 | 145.7 Ų | 145.7 | 82% | 0.824 | 78% | 0.782 | S | S | * | * | trans | -65.3 | 119.2 | 146.8 | -96.4 | -37.5 | 0 | 0 | 0 | 107.6 | ||||
| 166 | G | 40.3 | Very low | 46.6 | Very low | 69 Ų | 69 | 147.2 Ų | 147.2 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | trans | -145.9 | 74.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 167 | T | 47.1 | Very low | 47.2 | Very low | 117 Ų | 117 | 151.4 Ų | 151.4 | 72% | 0.718 | 79% | 0.79 | S | S | * | * | trans | -54.7 | 141.1 | 178.6 | 44.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 168 | F | 43.5 | Very low | 47.2 | Very low | 196 Ų | 196 | 149.5 Ų | 149.5 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | trans | 83.8 | 68.9 | 171.5 | -61.8 | -83.1 | 0 | 0 | 0 | 118.2 | ||||
| 169 | S | 36.8 | Very low | 47.2 | Very low | 125 Ų | 125 | 155.6 Ų | 155.6 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | trans | -131.8 | 79.8 | 130.3 | -157.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 170 | S | 49.9 | Very low | 47.6 | Very low | 96 Ų | 96 | 153.3 Ų | 153.3 | 67% | 0.671 | 78% | 0.782 | S | S | * | * | trans | -71.3 | 140.5 | 170.9 | 177.6 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 171 | R | 53.3 | Low | 48.2 | Very low | 222 Ų | 222 | 154 Ų | 154 | 84% | 0.838 | 79% | 0.785 | S | S | * | * | S | Bend | trans | 98.8 | 51.5 | 170.4 | -54.5 | -170.7 | -83.4 | -152.1 | -3.4 | 117.6 | ||
| 172 | R | 50.6 | Low | 48.3 | Very low | 252 Ų | 252 | 157.7 Ų | 157.7 | 95% | 0.951 | 79% | 0.793 | S | S | * | * | S | Bend | trans | -176.3 | 60.3 | 131.1 | -108.9 | -179.9 | -86.6 | -178.1 | -7.7 | 112.4 | ||
| 173 | A | 52.7 | Low | 48.7 | Very low | 89 Ų | 89 | 156.6 Ų | 156.6 | 74% | 0.736 | 79% | 0.787 | S | S | * | * | trans | -140.9 | 101.5 | 167 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 174 | N | 52.6 | Low | 48.7 | Very low | 114 Ų | 114 | 153.6 Ų | 153.6 | 61% | 0.61 | 78% | 0.777 | S | S | * | * | trans | -178.8 | 46.9 | 161.1 | -94.3 | 8.2 | 0 | 0 | 0 | 111.2 | ||||
| 175 | F | 53.5 | Low | 49.3 | Very low | 202 Ų | 202 | 148.9 Ų | 148.9 | 89% | 0.886 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -114.4 | 2.5 | 165.6 | -82.7 | -74.4 | 0 | 0 | 0 | 113.2 | ||
| 176 | M | 52.7 | Low | 50.4 | Low | 181 Ų | 181 | 145.1 Ų | 145.1 | 89% | 0.892 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -137.4 | 35.5 | -175.2 | -70.6 | -83 | 92.4 | 0 | 0 | 112.5 | ||
| 177 | R | 56.7 | Low | 51.5 | Low | 201 Ų | 201 | 143.8 Ų | 143.8 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | S | Bend | trans | -133.6 | -4.7 | 173.8 | -170.8 | 169.1 | -77.7 | -118.3 | 2.8 | 114.7 | ||
| 178 | D | 44.4 | Very low | 52.6 | Low | 92 Ų | 92 | 145.9 Ų | 145.9 | 49% | 0.492 | 72% | 0.719 | S | S | . | * | S | Bend | trans | -100.9 | 4.3 | -172.1 | -63.8 | -41.1 | 0 | 0 | 0 | 115.7 | ||
| 179 | W | 45.6 | Very low | 54.1 | Low | 259 Ų | 259 | 140.5 Ų | 140.5 | 98% | 0.981 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -91 | -12.9 | 178.4 | -92.8 | 35.8 | 0 | 0 | 0 | 114.9 | ||
| 180 | S | 50.3 | Low | 55.9 | Low | 114 Ų | 114 | 141.9 Ų | 141.9 | 80% | 0.797 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -97.4 | 6.2 | -176.5 | -76.1 | 0 | 0 | 0 | 0 | 115.5 | ||
| 181 | N | 52.5 | Low | 57.1 | Low | 150 Ų | 150 | 144.7 Ų | 144.7 | 80% | 0.802 | 68% | 0.683 | S | S | * | * | S | Bend | trans | -135.1 | 47.6 | -174 | -98.8 | -33.7 | 0 | 0 | 0 | 114.5 | ||
| 182 | K | 53.2 | Low | 57.9 | Low | 161 Ų | 161 | 137.6 Ų | 137.6 | 70% | 0.7 | 66% | 0.661 | S | S | * | * | trans | -143.2 | 108.4 | 159.1 | -10.6 | -98 | 177.7 | -169.2 | 0 | 107.5 | P184 | K182-P184 WeakPolarHBondContact O-CD 3.35Š| ||
| 183 | M | 51 | Low | 59 | Low | 141 Ų | 141 | 132.2 Ų | 132.2 | 70% | 0.695 | 65% | 0.645 | S | S | * | * | trans | -53.9 | 126.6 | 166.3 | -93.8 | -159 | 75.4 | 0 | 0 | 110.4 | T186 | M183-T186 HydrophobicContact CE-CG2 3.61Š| ||
| 184 | P | 54 | Low | 59.9 | Low | 92 Ų | 92 | 129.8 Ų | 129.8 | 60% | 0.597 | 62% | 0.622 | S | S | * | * | -130.4 | 37.4 | 120.3 | 39.4 | -30.8 | 0 | 0 | 0 | 110.3 | K182 T186 A187 Y188 | K182-P184 WeakPolarHBondContact O-CD 3.35Å; P184-T186 PolarHBondContact O-N 3.36Å; P184-A187 PolarHBondContact O-N 3.21Å; P184-Y188 PolarHBondContact O-N 2.9Å; P184-Y188 VanDerWaalsContact O-N 3.17Å | |||
| 185 | D | 54.6 | Low | 60.9 | Low | 100 Ų | 100 | 130 Ų | 130 | 54% | 0.535 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -69.1 | -34.2 | -167.6 | -122 | -2.1 | 0 | 0 | 0 | 112.4 | A187 Y188 E189 | D185-A187 PolarHBondContact O-N 2.92Å; D185-Y188 PolarHBondContact O-N 3.09Å; D185-E189 WeakPolarHBondContact O-CA 3.34Å; D185-E189 WeakPolarHBondContact O-CB 2.91Å; D185-E189 WeakPolarHBondContact O-CG 3.43Å; D185-E189 PolarHBondContact O-N 3.26Å |
| 186 | T | 62.3 | Low | 61.5 | Low | 75 Ų | 75 | 126 Ų | 126 | 46% | 0.46 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -69.3 | -32.3 | -179.1 | 60.6 | 0 | 0 | 0 | 0 | 113.2 | M183 P184 R190 | M183-T186 HydrophobicContact CE-CG2 3.61Å; P184-T186 PolarHBondContact O-N 3.36Å; T186-R190 WeakPolarHBondContact O-CB 3.4Å; T186-R190 WeakPolarHBondContact O-CG 3.28Å; T186-R190 PolarHBondContact O-N 3.08Å; T186-R190 PolarHBondContact O-NE 3.33Å; T186-R190 PolarHBondContact O-NH2 3.26Å; T186-R190 PolarHBondContact OG1-NH2 3.45Å |
| 187 | A | 64.6 | Low | 61.9 | Low | 41 Ų | 41 | 123.6 Ų | 123.6 | 34% | 0.339 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -81.2 | -36.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | P184 D185 K191 | P184-A187 PolarHBondContact O-N 3.21Å; D185-A187 PolarHBondContact O-N 2.92Å; A187-K191 VanDerWaalsContact O-CB 3.3Å; A187-K191 WeakPolarHBondContact O-CB 3.25Å; A187-K191 WeakPolarHBondContact O-CG 3.11Å; A187-K191 PolarHBondContact O-N 2.97Å |
| 188 | Y | 68.8 | Low | 62.1 | Low | 161 Ų | 161 | 120.6 Ų | 120.6 | 63% | 0.631 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -74.9 | -42.3 | 176 | -159.5 | -95.1 | 0 | 0 | 0 | 111.3 | P184 D185 K191 L192 | P184-Y188 PolarHBondContact O-N 2.9Å; P184-Y188 VanDerWaalsContact O-N 3.17Å; D185-Y188 PolarHBondContact O-N 3.09Å; Y188-K191 CarbonylContact O-C 3.56Å; Y188-K191 PolarHBondContact O-N 2.84Å; Y188-L192 VanDerWaalsContact O-CB 3.28Å; Y188-L192 WeakPolarHBondContact O-CB 3.16Å; Y188-L192 PolarHBondContact O-N 3.38Å |
| 189 | E | 75.2 | Confident | 62.4 | Low | 83 Ų | 83 | 120 Ų | 120 | 39% | 0.388 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -60.5 | -46 | 170 | -77.6 | -87.2 | 141.2 | 0 | 0 | 111.7 | D185 K191 L192 K193 | D185-E189 WeakPolarHBondContact O-CA 3.34Å; D185-E189 WeakPolarHBondContact O-CB 2.91Å; D185-E189 WeakPolarHBondContact O-CG 3.43Å; D185-E189 PolarHBondContact O-N 3.26Å; E189-K191 VanDerWaalsContact C-N 3.28Å; E189-K191 PolarHBondContact O-N 3.06Å; E189-L192 PolarHBondContact O-N 2.9Å; E189-K193 VanDerWaalsContact O-CB 3.24Å; E189-K193 WeakPolarHBondContact O-CB 3.1Å; E189-K193 WeakPolarHBondContact O-CG 3.31Å; E189-K193 PolarHBondContact O-N 2.92Å |
| 190 | R | 75.8 | Confident | 62.7 | Low | 154 Ų | 154 | 112.9 Ų | 112.9 | 58% | 0.581 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -64 | -34.3 | 175.8 | -79.6 | 179.5 | -84.1 | 108.7 | -1.1 | 112 | T186 S194 | T186-R190 WeakPolarHBondContact O-CB 3.4Å; T186-R190 WeakPolarHBondContact O-CG 3.28Å; T186-R190 PolarHBondContact O-N 3.08Å; T186-R190 PolarHBondContact O-NE 3.33Å; T186-R190 PolarHBondContact O-NH2 3.26Å; T186-R190 PolarHBondContact OG1-NH2 3.45Å; R190-S194 WeakPolarHBondContact O-CB 3.46Å; R190-S194 PolarHBondContact O-N 3.45Å |
| 191 | K | 73.9 | Confident | 62 | Low | 155 Ų | 155 | 114.4 Ų | 114.4 | 67% | 0.674 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -72.6 | -38.9 | 174.3 | -80 | 177.4 | 179.7 | -177.2 | 0 | 112.2 | A187 Y188 E189 S194 L195 | A187-K191 VanDerWaalsContact O-CB 3.3Å; A187-K191 WeakPolarHBondContact O-CB 3.25Å; A187-K191 WeakPolarHBondContact O-CG 3.11Å; A187-K191 PolarHBondContact O-N 2.97Å; Y188-K191 CarbonylContact O-C 3.56Å; Y188-K191 PolarHBondContact O-N 2.84Å; E189-K191 VanDerWaalsContact C-N 3.28Å; E189-K191 PolarHBondContact O-N 3.06Å; K191-S194 PolarHBondContact O-N 3.05Å; K191-L195 WeakPolarHBondContact O-CB 3.42Å; K191-L195 PolarHBondContact O-N 3.38Å |
| 192 | L | 71.4 | Confident | 61.8 | Low | 73 Ų | 73 | 111.4 Ų | 111.4 | 38% | 0.382 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -69.8 | -44.9 | 177.5 | -169.8 | 74.6 | 0 | 0 | 0 | 110.5 | Y188 E189 L195 M196 | Y188-L192 VanDerWaalsContact O-CB 3.28Å; Y188-L192 WeakPolarHBondContact O-CB 3.16Å; Y188-L192 PolarHBondContact O-N 3.38Å; E189-L192 PolarHBondContact O-N 2.9Å; L192-L195 PolarHBondContact O-N 2.94Å; L192-M196 WeakPolarHBondContact O-CB 3.32Å; L192-M196 WeakPolarHBondContact O-CG 3.32Å; L192-M196 PolarHBondContact O-N 2.83Å |
| 193 | K | 72.8 | Confident | 61.3 | Low | 138 Ų | 138 | 112.2 Ų | 112.2 | 60% | 0.6 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -60.7 | -46.5 | 170.3 | -73.8 | -171.2 | 179.8 | -174.1 | 0 | 111 | E189 L195 M196 E197 | E189-K193 VanDerWaalsContact O-CB 3.24Å; E189-K193 WeakPolarHBondContact O-CB 3.1Å; E189-K193 WeakPolarHBondContact O-CG 3.31Å; E189-K193 PolarHBondContact O-N 2.92Å; K193-L195 VanDerWaalsContact C-N 3.29Å; K193-L195 PolarHBondContact O-N 3.5Å; K193-M196 PolarHBondContact O-N 3.16Å; K193-E197 WeakPolarHBondContact O-CA 3.41Å; K193-E197 WeakPolarHBondContact O-CB 3.42Å; K193-E197 PolarHBondContact O-N 3.17Å |
| 194 | S | 71.7 | Confident | 61.2 | Low | 38 Ų | 38 | 112 Ų | 112 | 27% | 0.266 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -64.5 | -32.3 | 175.7 | -170.6 | 0 | 0 | 0 | 0 | 112.7 | R190 K191 K198 | R190-S194 WeakPolarHBondContact O-CB 3.46Å; R190-S194 PolarHBondContact O-N 3.45Å; K191-S194 PolarHBondContact O-N 3.05Å; S194-K198 WeakPolarHBondContact O-CB 3.41Å; S194-K198 VanDerWaalsContact O-CD 3.25Å; S194-K198 WeakPolarHBondContact O-CD 3.49Å; S194-K198 WeakPolarHBondContact O-CG 3.03Å; S194-K198 PolarHBondContact O-N 3.27Å; S194-K198 PolarHBondContact OG-NZ 3.03Å |
| 195 | L | 73.9 | Confident | 61 | Low | 118 Ų | 118 | 115.8 Ų | 115.8 | 62% | 0.618 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -72.2 | -40.5 | 175.9 | -176.3 | 68 | 0 | 0 | 0 | 111.8 | K191 L192 K193 S199 | K191-L195 WeakPolarHBondContact O-CB 3.42Å; K191-L195 PolarHBondContact O-N 3.38Å; L192-L195 PolarHBondContact O-N 2.94Å; K193-L195 VanDerWaalsContact C-N 3.29Å; K193-L195 PolarHBondContact O-N 3.5Å; L195-S199 PolarHBondContact O-N 2.72Å |
| 196 | M | 65.9 | Low | 60.6 | Low | 120 Ų | 120 | 117 Ų | 117 | 59% | 0.591 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -73.5 | -34.8 | 175.3 | -70.8 | -168.6 | 68.5 | 0 | 0 | 112 | L192 K193 S199 T200 | L192-M196 WeakPolarHBondContact O-CB 3.32Å; L192-M196 WeakPolarHBondContact O-CG 3.32Å; L192-M196 PolarHBondContact O-N 2.83Å; K193-M196 PolarHBondContact O-N 3.16Å; M196-S199 WeakPolarHBondContact CA-OG 3.18Å; M196-S199 CarbonylContact O-C 3.52Å; M196-S199 WeakPolarHBondContact O-CA 3.35Å; M196-S199 WeakPolarHBondContact O-CB 3.24Å; M196-S199 PolarHBondContact O-N 3.27Å; M196-S199 PolarHBondContact O-OG 3.34Å; M196-T200 PolarHBondContact O-N 2.82Å; M196-T200 VanDerWaalsContact O-N 3.12Å |
| 197 | E | 61.7 | Low | 60.1 | Low | 130 Ų | 130 | 120 Ų | 120 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -71.3 | -36.8 | 175.1 | -171 | 179.3 | -173.8 | 0 | 0 | 111.3 | K193 S199 T200 E201 | K193-E197 WeakPolarHBondContact O-CA 3.41Å; K193-E197 WeakPolarHBondContact O-CB 3.42Å; K193-E197 PolarHBondContact O-N 3.17Å; E197-S199 PolarHBondContact O-N 3.12Å; E197-T200 VanDerWaalsContact CA-OG1 3.32Å; E197-T200 WeakPolarHBondContact CA-OG1 3.11Å; E197-T200 PolarHBondContact O-N 2.6Å; E197-T200 VanDerWaalsContact O-N 3.12Å; E197-T200 PolarHBondContact O-OG1 3.23Å; E197-E201 PolarHBondContact O-N 2.8Å |
| 198 | K | 59.6 | Low | 59.6 | Low | 138 Ų | 138 | 127.6 Ų | 127.6 | 60% | 0.6 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -69 | -6 | 166.1 | -76 | 164.5 | 179.7 | 147.8 | 0 | 113.8 | S194 | S194-K198 WeakPolarHBondContact O-CB 3.41Å; S194-K198 VanDerWaalsContact O-CD 3.25Å; S194-K198 WeakPolarHBondContact O-CD 3.49Å; S194-K198 WeakPolarHBondContact O-CG 3.03Å; S194-K198 PolarHBondContact O-N 3.27Å; S194-K198 PolarHBondContact OG-NZ 3.03Å |
| 199 | S | 51.3 | Low | 59.1 | Low | 78 Ų | 78 | 127.7 Ų | 127.7 | 55% | 0.545 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -102.9 | -10.8 | 171 | 77.9 | 0 | 0 | 0 | 0 | 113.3 | L195 M196 E197 | L195-S199 PolarHBondContact O-N 2.72Å; M196-S199 WeakPolarHBondContact CA-OG 3.18Å; M196-S199 CarbonylContact O-C 3.52Å; M196-S199 WeakPolarHBondContact O-CA 3.35Å; M196-S199 WeakPolarHBondContact O-CB 3.24Å; M196-S199 PolarHBondContact O-N 3.27Å; M196-S199 PolarHBondContact O-OG 3.34Å; E197-S199 PolarHBondContact O-N 3.12Å |
| 200 | T | 51.3 | Low | 58.3 | Low | 110 Ų | 110 | 128.6 Ų | 128.6 | 68% | 0.675 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -93.2 | -5.3 | 172.5 | 49 | 0 | 0 | 0 | 0 | 113.6 | M196 E197 | M196-T200 PolarHBondContact O-N 2.82Å; M196-T200 VanDerWaalsContact O-N 3.12Å; E197-T200 VanDerWaalsContact CA-OG1 3.32Å; E197-T200 WeakPolarHBondContact CA-OG1 3.11Å; E197-T200 PolarHBondContact O-N 2.6Å; E197-T200 VanDerWaalsContact O-N 3.12Å; E197-T200 PolarHBondContact O-OG1 3.23Å |
| 201 | E | 37 | Very low | 58.3 | Low | 147 Ų | 147 | 127.1 Ų | 127.1 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | S | Bend | trans | -73.8 | 122.2 | 157.1 | -71.4 | -168.1 | 174 | 0 | 0 | 108.7 | E197 K203 | E197-E201 PolarHBondContact O-N 2.8Å; E201-K203 PolarHBondContact O-N 3.46Å |
| 202 | P | 48.4 | Very low | 57.9 | Low | 86 Ų | 86 | 120.7 Ų | 120.7 | 56% | 0.558 | 60% | 0.6 | S | S | * | * | trans | -64.3 | 107.8 | -175.4 | 27.8 | -33.4 | 0 | 0 | 0 | 108 | M204 | P202-M204 HydrophobicContact CB-CB 4.41Å; P202-M204 HydrophobicContact CB-CE 3.62Å; P202-M204 HydrophobicContact CB-CG 4.05Å; P202-M204 HydrophobicContact CG-CE 3.86Å; P202-M204 HydrophobicContact CG-CG 4.39Å; P202-M204 PolarHBondContact O-N 2.85Å | ||
| 203 | K | 42.2 | Very low | 57.5 | Low | 178 Ų | 178 | 121.9 Ų | 121.9 | 77% | 0.774 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.4 | 46.4 | 159.3 | -68.3 | 178.8 | 179.7 | 165.2 | 0 | 110.8 | E201 | E201-K203 PolarHBondContact O-N 3.46Š|
| 204 | M | 49.2 | Very low | 57.3 | Low | 136 Ų | 136 | 119.9 Ų | 119.9 | 67% | 0.67 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -10.5 | 164.5 | 68.3 | 169.6 | 78.6 | 0 | 0 | 111.3 | P202 T206 | P202-M204 HydrophobicContact CB-CB 4.41Å; P202-M204 HydrophobicContact CB-CE 3.62Å; P202-M204 HydrophobicContact CB-CG 4.05Å; P202-M204 HydrophobicContact CG-CE 3.86Å; P202-M204 HydrophobicContact CG-CG 4.39Å; P202-M204 PolarHBondContact O-N 2.85Å; M204-T206 PolarHBondContact O-N 2.74Å |
| 205 | E | 48.6 | Very low | 57.2 | Low | 173 Ų | 173 | 119.6 Ų | 119.6 | 81% | 0.808 | 59% | 0.593 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | -2.5 | -171.8 | -91.6 | -172.6 | 155.8 | 0 | 0 | 117.2 | ||
| 206 | T | 47.4 | Very low | 57 | Low | 125 Ų | 125 | 115.5 Ų | 115.5 | 77% | 0.767 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134 | 16.8 | 172 | 60.9 | 0 | 0 | 0 | 0 | 115.3 | M204 R208 | M204-T206 PolarHBondContact O-N 2.74Å; T206-R208 PolarHBondContact O-N 2.74Å |
| 207 | I | 50.9 | Low | 56.9 | Low | 137 Ų | 137 | 114.1 Ų | 114.1 | 70% | 0.703 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -80.2 | 86.6 | 134.9 | -56.5 | 170.6 | 0 | 0 | 0 | 102 | M209 | I207-M209 VanDerWaalsContact C-N 3.34Å; I207-M209 PolarHBondContact O-N 3.28Å |
| 208 | R | 54.4 | Low | 57.2 | Low | 202 Ų | 202 | 111.1 Ų | 111.1 | 76% | 0.762 | 57% | 0.567 | S | S | * | * | trans | -48.6 | 113.3 | 167.5 | -60.7 | 178.7 | -172.5 | -174.4 | -0.6 | 103.9 | T206 L210 | T206-R208 PolarHBondContact O-N 2.74Å; R208-L210 PolarHBondContact O-N 3.38Å | ||
| 209 | M | 57.8 | Low | 56.9 | Low | 163 Ų | 163 | 113.6 Ų | 113.6 | 80% | 0.803 | 57% | 0.572 | S | S | * | * | trans | -58.9 | 95.4 | 173.6 | -69.4 | 178.5 | 70.4 | 0 | 0 | 103.7 | I207 K211 | I207-M209 VanDerWaalsContact C-N 3.34Å; I207-M209 PolarHBondContact O-N 3.28Å; M209-K211 PolarHBondContact O-N 3.22Å; M209-K211 VanDerWaalsContact O-N 3.14Å | ||
| 210 | L | 59.9 | Low | 57.2 | Low | 101 Ų | 101 | 117.4 Ų | 117.4 | 53% | 0.529 | 58% | 0.576 | S | S | . | * | trans | -57.9 | 127.9 | -175.8 | -72.3 | 173.3 | 0 | 0 | 0 | 104.5 | R208 E214 V215 | R208-L210 PolarHBondContact O-N 3.38Å; L210-E214 WeakPolarHBondContact CD2-OE2 3.3Å; L210-V215 HydrophobicContact CB-CG2 3.61Å; L210-V215 HydrophobicContact CD1-CG2 4.31Å | ||
| 211 | K | 74.3 | Confident | 58.1 | Low | 124 Ų | 124 | 115.3 Ų | 115.3 | 54% | 0.539 | 56% | 0.56 | S | S | . | * | trans | -55.8 | 140.9 | 179 | -71.5 | -176.3 | 175.3 | -175.6 | 0 | 107.1 | M209 E213 E214 V215 | M209-K211 PolarHBondContact O-N 3.22Å; M209-K211 VanDerWaalsContact O-N 3.14Å; K211-E213 HydrophobicContact CB-CB 4.34Å; K211-E213 PolarHBondContact O-N 3.02Å; K211-E214 HydrophobicContact CB-CG 4.14Å; K211-E214 PolarHBondContact N-OE2 3.46Å; K211-E214 WeakPolarHBondContact O-CA 3.1Å; K211-E214 WeakPolarHBondContact O-CB 3.22Å; K211-E214 PolarHBondContact O-N 3.17Å; K211-V215 PolarHBondContact O-N 2.99Å; K211-V215 VanDerWaalsContact O-N 3.07Å | ||
| 212 | P | 65.3 | Low | 59.6 | Low | 19 Ų | 19 | 120 Ų | 120 | 12% | 0.123 | 57% | 0.572 | C | S | . | * | H | α-helix | trans | -50.5 | -34.5 | 175.5 | 12 | -23.6 | 0 | 0 | 0 | 111.3 | V215 L216 C235 A238 M240 | P212-V215 PolarHBondContact O-N 3.01Å; P212-L216 WeakPolarHBondContact O-CB 3.3Å; P212-L216 WeakPolarHBondContact O-CG 3.42Å; P212-L216 PolarHBondContact O-N 2.99Å; P212-C235 HydrophobicContact CB-CB 4.36Å; P212-C235 WeakPolarHBondContact CB-SG 3.19Å; P212-A238 HydrophobicContact CG-CB 3.65Å; P212-M240 HydrophobicContact CB-SD 3.95Å; P212-M240 HydrophobicContact CG-SD 3.61Å |
| 213 | E | 64.4 | Low | 60.7 | Low | 99 Ų | 99 | 118.6 Ų | 118.6 | 46% | 0.463 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -54.6 | -48.2 | 169.6 | -63.2 | 176.9 | 173.1 | 0 | 0 | 114.3 | K211 L216 S217 M240 | K211-E213 HydrophobicContact CB-CB 4.34Å; K211-E213 PolarHBondContact O-N 3.02Å; E213-L216 CarbonylContact O-C 3.59Å; E213-L216 PolarHBondContact O-N 3.45Å; E213-S217 WeakPolarHBondContact O-CB 3.47Å; E213-S217 PolarHBondContact O-N 3.05Å; E213-M240 HydrophobicContact CB-CE 4.29Å; E213-M240 HydrophobicContact CG-CE 3.33Å; E213-M240 HydrophobicContact CG-SD 3.66Å |
| 214 | E | 69.3 | Low | 62.1 | Low | 96 Ų | 96 | 112.6 Ų | 112.6 | 45% | 0.449 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.1 | -38.6 | -178.3 | -67.7 | 175.7 | 159.6 | 0 | 0 | 111.1 | L210 K211 S217 C218 | L210-E214 WeakPolarHBondContact CD2-OE2 3.3Å; K211-E214 HydrophobicContact CB-CG 4.14Å; K211-E214 PolarHBondContact N-OE2 3.46Å; K211-E214 WeakPolarHBondContact O-CA 3.1Å; K211-E214 WeakPolarHBondContact O-CB 3.22Å; K211-E214 PolarHBondContact O-N 3.17Å; E214-S217 WeakPolarHBondContact CA-OG 3.46Å; E214-S217 PolarHBondContact O-N 2.9Å; E214-S217 PolarHBondContact O-OG 3.15Å; E214-C218 PolarHBondContact O-SG 3.39Å |
| 215 | V | 69.5 | Low | 63.4 | Low | 31 Ų | 31 | 114.4 Ų | 114.4 | 19% | 0.188 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -62 | -48.2 | 173.7 | -178.1 | 0 | 0 | 0 | 0 | 109.1 | L210 K211 P212 S217 C218 L221 L231 | L210-V215 HydrophobicContact CB-CG2 3.61Å; L210-V215 HydrophobicContact CD1-CG2 4.31Å; K211-V215 PolarHBondContact O-N 2.99Å; K211-V215 VanDerWaalsContact O-N 3.07Å; P212-V215 PolarHBondContact O-N 3.01Å; V215-S217 VanDerWaalsContact C-N 3.3Å; V215-S217 PolarHBondContact O-N 3.2Å; V215-C218 VanDerWaalsContact O-CB 3.28Å; V215-C218 WeakPolarHBondContact O-CB 3.36Å; V215-C218 PolarHBondContact O-N 3.05Å; V215-L221 HydrophobicContact CG1-CD1 4.33Å; V215-L221 HydrophobicContact CG1-CD2 4.12Å; V215-L221 WeakPolarHBondContact O-CD1 3.35Å; V215-L221 WeakPolarHBondContact O-CD2 3.5Å; V215-L221 WeakPolarHBondContact O-CG 3.4Å; V215-L231 HydrophobicContact CB-CD1 3.91Å; V215-L231 HydrophobicContact CG1-CD1 3.7Å; V215-L231 HydrophobicContact CG1-CD2 3.78Å; V215-L231 HydrophobicContact CG1-CG 4.39Å; V215-L231 HydrophobicContact CG2-CD1 4.49Å |
| 216 | L | 69.5 | Low | 64.9 | Low | 32 Ų | 32 | 112.8 Ų | 112.8 | 17% | 0.168 | 54% | 0.536 | C | S | . | . | H | α-helix | trans | -68.1 | -25.5 | 178.7 | -68.4 | 174.7 | 0 | 0 | 0 | 114.3 | P212 E213 C218 L221 L231 M240 V242 I244 F259 | P212-L216 WeakPolarHBondContact O-CB 3.3Å; P212-L216 WeakPolarHBondContact O-CG 3.42Å; P212-L216 PolarHBondContact O-N 2.99Å; E213-L216 CarbonylContact O-C 3.59Å; E213-L216 PolarHBondContact O-N 3.45Å; L216-C218 PolarHBondContact O-N 3.39Å; L216-L221 HydrophobicContact CD2-CD1 4.45Å; L216-L231 HydrophobicContact CD2-CD2 3.86Å; L216-M240 HydrophobicContact CD1-CE 4.34Å; L216-V242 HydrophobicContact CD1-CB 4.26Å; L216-V242 HydrophobicContact CD1-CG1 3.76Å; L216-V242 HydrophobicContact CD1-CG2 3.51Å; L216-V242 HydrophobicContact CD2-CG1 4.14Å; L216-I244 HydrophobicContact CD2-CD1 3.34Å; L216-F259 HydrophobicContact CD1-CE1 4.39Å |
| 217 | S | 63 | Low | 66.3 | Low | 91 Ų | 91 | 111 Ų | 111 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.5 | -9.3 | 176.2 | 76.6 | 0 | 0 | 0 | 0 | 113.5 | E213 E214 V215 R219 | E213-S217 WeakPolarHBondContact O-CB 3.47Å; E213-S217 PolarHBondContact O-N 3.05Å; E214-S217 WeakPolarHBondContact CA-OG 3.46Å; E214-S217 PolarHBondContact O-N 2.9Å; E214-S217 PolarHBondContact O-OG 3.15Å; V215-S217 VanDerWaalsContact C-N 3.3Å; V215-S217 PolarHBondContact O-N 3.2Å; S217-R219 PolarHBondContact O-N 3.31Å |
| 218 | C | 67.8 | Low | 67.6 | Low | 67 Ų | 67 | 107.1 Ų | 107.1 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | trans | -72.4 | 115.9 | 179.6 | -72.4 | 0 | 0 | 0 | 0 | 110.8 | E214 V215 L216 Y220 L221 | E214-C218 PolarHBondContact O-SG 3.39Å; V215-C218 VanDerWaalsContact O-CB 3.28Å; V215-C218 WeakPolarHBondContact O-CB 3.36Å; V215-C218 PolarHBondContact O-N 3.05Å; L216-C218 PolarHBondContact O-N 3.39Å; C218-Y220 PolarHBondContact O-N 3.29Å; C218-L221 HydrophobicContact CB-CD1 4.31Å; C218-L221 HydrophobicContact CB-CD2 3.54Å; C218-L221 HydrophobicContact CB-CG 3.58Å | ||
| 219 | R | 53.8 | Low | 68.8 | Low | 191 Ų | 191 | 105.9 Ų | 105.9 | 72% | 0.721 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | -26.3 | -176.7 | -172.1 | 174 | 176.6 | 157.1 | 2.2 | 115.3 | S217 | S217-R219 PolarHBondContact O-N 3.31Š|
| 220 | Y | 56.6 | Low | 70 | Confident | 157 Ų | 157 | 101.8 Ų | 101.8 | 62% | 0.616 | 48% | 0.482 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.3 | 64.2 | -179.6 | -57.6 | -66.3 | 0 | 0 | 0 | 111.1 | C218 R222 | C218-Y220 PolarHBondContact O-N 3.29Å; Y220-R222 PolarHBondContact O-N 3.33Å; Y220-R222 VanDerWaalsContact O-N 3.17Å |
| 221 | L | 70.7 | Confident | 71 | Confident | 67 Ų | 67 | 97.7 Ų | 97.7 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | trans | -68.4 | 110.3 | 171.8 | -76.6 | 171.9 | 0 | 0 | 0 | 110.8 | V215 L216 C218 L223 | V215-L221 HydrophobicContact CG1-CD1 4.33Å; V215-L221 HydrophobicContact CG1-CD2 4.12Å; V215-L221 WeakPolarHBondContact O-CD1 3.35Å; V215-L221 WeakPolarHBondContact O-CD2 3.5Å; V215-L221 WeakPolarHBondContact O-CG 3.4Å; L216-L221 HydrophobicContact CD2-CD1 4.45Å; C218-L221 HydrophobicContact CB-CD1 4.31Å; C218-L221 HydrophobicContact CB-CD2 3.54Å; C218-L221 HydrophobicContact CB-CG 3.58Å; L221-L223 HydrophobicContact CB-CD1 4.41Å; L221-L223 HydrophobicContact CB-CG 4.25Å; L221-L223 HydrophobicContact CD1-CD1 4.38Å; L221-L223 HydrophobicContact CD2-CD2 4.35Å; L221-L223 HydrophobicContact CD2-CG 4.45Å | ||
| 222 | R | 68.8 | Low | 71.2 | Confident | 246 Ų | 246 | 94.4 Ų | 94.4 | 93% | 0.928 | 45% | 0.448 | S | S | * | . | trans | -102.5 | 90.5 | 165.8 | -61.9 | 179.6 | 94.1 | -177.2 | 8.3 | 107.9 | Y220 | Y220-R222 PolarHBondContact O-N 3.33Å; Y220-R222 VanDerWaalsContact O-N 3.17Å | ||
| 223 | L | 70.9 | Confident | 72.1 | Confident | 56 Ų | 56 | 99.9 Ų | 99.9 | 29% | 0.293 | 47% | 0.47 | S | S | . | . | trans | -97.5 | 141.1 | 180 | -62.7 | 172.7 | 0 | 0 | 0 | 110.1 | L221 N227 I228 L231 | L221-L223 HydrophobicContact CB-CD1 4.41Å; L221-L223 HydrophobicContact CB-CG 4.25Å; L221-L223 HydrophobicContact CD1-CD1 4.38Å; L221-L223 HydrophobicContact CD2-CD2 4.35Å; L221-L223 HydrophobicContact CD2-CG 4.45Å; L223-N227 HydrophobicContact CB-CB 4.19Å; L223-N227 HydrophobicContact CD2-CB 4.19Å; L223-I228 HydrophobicContact CB-CD1 4.32Å; L223-I228 HydrophobicContact CB-CG1 3.56Å; L223-I228 HydrophobicContact CD1-CG1 4.34Å; L223-L231 HydrophobicContact CD1-CD2 3.39Å | ||
| 224 | S | 72.6 | Confident | 72.9 | Confident | 52 Ų | 52 | 98.9 Ų | 98.9 | 36% | 0.364 | 47% | 0.467 | S | S | . | . | trans | -67.5 | 159.4 | 168.1 | 70.6 | 0 | 0 | 0 | 0 | 110.1 | E226 N227 I228 | S224-E226 PolarHBondContact O-N 3.45Å; S224-E226 VanDerWaalsContact O-N 3.15Å; S224-N227 PolarHBondContact O-N 3.15Å; S224-N227 WeakPolarHBondContact OG-CB 3.4Å; S224-N227 PolarHBondContact OG-N 3.38Å; S224-N227 VanDerWaalsContact OG-N 3.15Å; S224-N227 PolarHBondContact OG-ND2 3.35Å; S224-N227 PolarHBondContact OG-OD1 3.48Å; S224-I228 WeakPolarHBondContact O-CG1 3.28Å; S224-I228 PolarHBondContact O-N 2.92Å | ||
| 225 | K | 75.9 | Confident | 73.3 | Confident | 173 Ų | 173 | 94.3 Ų | 94.3 | 75% | 0.752 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -55.4 | -33.8 | 177.8 | -68.7 | -177.8 | -179.6 | 179.2 | 0 | 112.6 | R229 | K225-R229 WeakPolarHBondContact O-CG 2.96Å |
| 226 | E | 79.6 | Confident | 73.9 | Confident | 140 Ų | 140 | 99.8 Ų | 99.8 | 65% | 0.654 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -70.7 | -47.7 | 175.6 | -72.2 | 156.2 | -164.4 | 0 | 0 | 111.1 | S224 I228 R229 T230 | S224-E226 PolarHBondContact O-N 3.45Å; S224-E226 VanDerWaalsContact O-N 3.15Å; E226-I228 VanDerWaalsContact C-N 3.28Å; E226-I228 PolarHBondContact O-N 2.75Å; E226-R229 WeakPolarHBondContact O-CB 3.1Å; E226-R229 PolarHBondContact O-N 2.93Å; E226-T230 PolarHBondContact O-N 3.31Å; E226-T230 VanDerWaalsContact O-N 3.16Å; E226-T230 PolarHBondContact O-OG1 2.87Å |
| 227 | N | 77.9 | Confident | 74.5 | Confident | 86 Ų | 86 | 103.8 Ų | 103.8 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.8 | -32.3 | 179.8 | -66.1 | -3.7 | 0 | 0 | 0 | 112.7 | L223 S224 R229 T230 L231 | L223-N227 HydrophobicContact CB-CB 4.19Å; L223-N227 HydrophobicContact CD2-CB 4.19Å; S224-N227 PolarHBondContact O-N 3.15Å; S224-N227 WeakPolarHBondContact OG-CB 3.4Å; S224-N227 PolarHBondContact OG-N 3.38Å; S224-N227 VanDerWaalsContact OG-N 3.15Å; S224-N227 PolarHBondContact OG-ND2 3.35Å; S224-N227 PolarHBondContact OG-OD1 3.48Å; N227-R229 VanDerWaalsContact C-N 3.34Å; N227-T230 WeakPolarHBondContact CA-OG1 3.07Å; N227-T230 PolarHBondContact O-N 3.22Å; N227-T230 PolarHBondContact O-OG1 3.48Å; N227-L231 WeakPolarHBondContact O-CB 3.27Å; N227-L231 PolarHBondContact O-N 3.39Å |
| 228 | I | 77.8 | Confident | 75 | Confident | 56 Ų | 56 | 102 Ų | 102 | 29% | 0.287 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 173.7 | -66.9 | 167.1 | 0 | 0 | 0 | 110.5 | L223 S224 E226 L231 L232 | L223-I228 HydrophobicContact CB-CD1 4.32Å; L223-I228 HydrophobicContact CB-CG1 3.56Å; L223-I228 HydrophobicContact CD1-CG1 4.34Å; S224-I228 WeakPolarHBondContact O-CG1 3.28Å; S224-I228 PolarHBondContact O-N 2.92Å; E226-I228 VanDerWaalsContact C-N 3.28Å; E226-I228 PolarHBondContact O-N 2.75Å; I228-L231 PolarHBondContact O-N 3.31Å; I228-L232 HydrophobicContact CG2-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CG 4.47Å; I228-L232 WeakPolarHBondContact O-CB 3.5Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 2.91Å |
| 229 | R | 80.1 | Confident | 75.1 | Confident | 176 Ų | 176 | 100.5 Ų | 100.5 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -65.6 | -42.9 | 178.7 | -66 | 172.4 | -173 | 162.8 | 0.3 | 111.4 | K225 E226 N227 L232 K233 | K225-R229 WeakPolarHBondContact O-CG 2.96Å; E226-R229 WeakPolarHBondContact O-CB 3.1Å; E226-R229 PolarHBondContact O-N 2.93Å; N227-R229 VanDerWaalsContact C-N 3.34Å; R229-L232 PolarHBondContact O-N 2.65Å; R229-K233 WeakPolarHBondContact O-CB 3.33Å; R229-K233 PolarHBondContact O-N 2.7Å |
| 230 | T | 82.3 | Confident | 75.5 | Confident | 78 Ų | 78 | 92.3 Ų | 92.3 | 48% | 0.479 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 176.7 | -5.5 | 0 | 0 | 0 | 0 | 111.2 | E226 N227 K233 L234 | E226-T230 PolarHBondContact O-N 3.31Å; E226-T230 VanDerWaalsContact O-N 3.16Å; E226-T230 PolarHBondContact O-OG1 2.87Å; N227-T230 WeakPolarHBondContact CA-OG1 3.07Å; N227-T230 PolarHBondContact O-N 3.22Å; N227-T230 PolarHBondContact O-OG1 3.48Å; T230-K233 WeakPolarHBondContact O-CB 3.35Å; T230-K233 PolarHBondContact O-N 2.81Å; T230-L234 WeakPolarHBondContact O-CG 3.41Å; T230-L234 PolarHBondContact O-N 3.03Å |
| 231 | L | 80.1 | Confident | 75.8 | Confident | 15 Ų | 15 | 89.9 Ų | 89.9 | 8% | 0.079 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -63.7 | -46.4 | 176.7 | -178.7 | 58.9 | 0 | 0 | 0 | 111.8 | V215 L216 L223 N227 I228 K233 L234 C235 | V215-L231 HydrophobicContact CB-CD1 3.91Å; V215-L231 HydrophobicContact CG1-CD1 3.7Å; V215-L231 HydrophobicContact CG1-CD2 3.78Å; V215-L231 HydrophobicContact CG1-CG 4.39Å; V215-L231 HydrophobicContact CG2-CD1 4.49Å; L216-L231 HydrophobicContact CD2-CD2 3.86Å; L223-L231 HydrophobicContact CD1-CD2 3.39Å; N227-L231 WeakPolarHBondContact O-CB 3.27Å; N227-L231 PolarHBondContact O-N 3.39Å; I228-L231 PolarHBondContact O-N 3.31Å; L231-K233 PolarHBondContact O-N 3.45Å; L231-L234 PolarHBondContact O-N 2.85Å; L231-C235 PolarHBondContact O-N 2.87Å; L231-C235 PolarHBondContact O-SG 2.9Å |
| 232 | L | 79.9 | Confident | 75.5 | Confident | 55 Ų | 55 | 87.4 Ų | 87.4 | 29% | 0.288 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -58.2 | -37.4 | 175.2 | -76 | 169.3 | 0 | 0 | 0 | 112.1 | I228 R229 K236 V242 | I228-L232 HydrophobicContact CG2-CD1 4.02Å; I228-L232 HydrophobicContact CG2-CG 4.47Å; I228-L232 WeakPolarHBondContact O-CB 3.5Å; I228-L232 WeakPolarHBondContact O-CG 3.36Å; I228-L232 PolarHBondContact O-N 2.91Å; R229-L232 PolarHBondContact O-N 2.65Å; L232-K236 VanDerWaalsContact O-CG 3.32Å; L232-K236 WeakPolarHBondContact O-CG 3.33Å; L232-K236 PolarHBondContact O-N 3.41Å; L232-V242 WeakPolarHBondContact CD2-O 3.49Å |
| 233 | K | 83.5 | Confident | 75.2 | Confident | 133 Ų | 133 | 81.1 Ų | 81.1 | 58% | 0.578 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -65.4 | -48.9 | 174.9 | -172.8 | 178.5 | 178.1 | -177.8 | 0 | 111.4 | R229 T230 L231 C235 K236 D237 | R229-K233 WeakPolarHBondContact O-CB 3.33Å; R229-K233 PolarHBondContact O-N 2.7Å; T230-K233 WeakPolarHBondContact O-CB 3.35Å; T230-K233 PolarHBondContact O-N 2.81Å; L231-K233 PolarHBondContact O-N 3.45Å; K233-C235 VanDerWaalsContact C-N 3.28Å; K233-C235 PolarHBondContact O-N 3.4Å; K233-K236 PolarHBondContact O-N 3.17Å; K233-K236 VanDerWaalsContact O-N 3.16Å; K233-D237 WeakPolarHBondContact O-CB 3.31Å; K233-D237 PolarHBondContact O-N 2.95Å |
| 234 | L | 81.6 | Confident | 74.8 | Confident | 78 Ų | 78 | 82 Ų | 82 | 41% | 0.408 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.6 | -37.3 | 177.1 | -68.7 | 173.4 | 0 | 0 | 0 | 112.5 | T230 L231 A238 | T230-L234 WeakPolarHBondContact O-CG 3.41Å; T230-L234 PolarHBondContact O-N 3.03Å; L231-L234 PolarHBondContact O-N 2.85Å; L234-A238 VanDerWaalsContact O-CB 3.28Å; L234-A238 WeakPolarHBondContact O-CB 3.46Å; L234-A238 PolarHBondContact O-N 3.36Å |
| 235 | C | 78.3 | Confident | 74.2 | Confident | 1 Ų | 1 | 85.2 Ų | 85.2 | 1% | 0.007 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -64.3 | -47.6 | 174.1 | -64.6 | 0 | 0 | 0 | 0 | 111.3 | P212 L231 K233 D237 A238 G239 M240 V242 | P212-C235 HydrophobicContact CB-CB 4.36Å; P212-C235 WeakPolarHBondContact CB-SG 3.19Å; L231-C235 PolarHBondContact O-N 2.87Å; L231-C235 PolarHBondContact O-SG 2.9Å; K233-C235 VanDerWaalsContact C-N 3.28Å; K233-C235 PolarHBondContact O-N 3.4Å; C235-D237 PolarHBondContact O-N 2.85Å; C235-A238 CarbonylContact O-C 3.27Å; C235-A238 PolarHBondContact O-N 3.27Å; C235-G239 PolarHBondContact O-N 3.41Å; C235-M240 CarbonylContact C-O 3.5Å; C235-M240 VanDerWaalsContact C-O 3.27Å; C235-M240 HydrophobicContact CB-CB 4.22Å; C235-M240 WeakPolarHBondContact O-CA 3.49Å; C235-M240 WeakPolarHBondContact O-CB 3.35Å; C235-M240 PolarHBondContact O-N 3.24Å; C235-V242 HydrophobicContact CB-CB 4.15Å; C235-V242 HydrophobicContact CB-CG2 3.8Å |
| 236 | K | 81.6 | Confident | 73.4 | Confident | 146 Ų | 146 | 82.1 Ų | 82.1 | 64% | 0.635 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -61.5 | -43.2 | 176.7 | -74.1 | 177 | -179.5 | -173.1 | 0 | 112.3 | L232 K233 A238 G239 | L232-K236 VanDerWaalsContact O-CG 3.32Å; L232-K236 WeakPolarHBondContact O-CG 3.33Å; L232-K236 PolarHBondContact O-N 3.41Å; K233-K236 PolarHBondContact O-N 3.17Å; K233-K236 VanDerWaalsContact O-N 3.16Å; K236-A238 PolarHBondContact O-N 3.25Å; K236-G239 PolarHBondContact O-N 3.38Å |
| 237 | D | 81 | Confident | 72.1 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 62% | 0.615 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -65.4 | -29.8 | 178.9 | -64.9 | -13.2 | 0 | 0 | 0 | 111.4 | K233 C235 G239 | K233-D237 WeakPolarHBondContact O-CB 3.31Å; K233-D237 PolarHBondContact O-N 2.95Å; C235-D237 PolarHBondContact O-N 2.85Å; D237-G239 VanDerWaalsContact C-N 3.31Å |
| 238 | A | 75.1 | Confident | 71.3 | Confident | 55 Ų | 55 | 83 Ų | 83 | 46% | 0.455 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | 4.6 | 172.3 | 0 | 0 | 0 | 0 | 0 | 114 | P212 L234 C235 K236 M240 | P212-A238 HydrophobicContact CG-CB 3.65Å; L234-A238 VanDerWaalsContact O-CB 3.28Å; L234-A238 WeakPolarHBondContact O-CB 3.46Å; L234-A238 PolarHBondContact O-N 3.36Å; C235-A238 CarbonylContact O-C 3.27Å; C235-A238 PolarHBondContact O-N 3.27Å; K236-A238 PolarHBondContact O-N 3.25Å; A238-M240 VanDerWaalsContact C-N 3.3Å; A238-M240 HydrophobicContact CB-CG 4.34Å; A238-M240 HydrophobicContact CB-SD 4.28Å; A238-M240 PolarHBondContact O-N 3.44Å |
| 239 | G | 68.6 | Low | 70.1 | Confident | 35 Ų | 35 | 85 Ų | 85 | 36% | 0.361 | 44% | 0.443 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.2 | 18.4 | -179 | 0 | 0 | 0 | 0 | 0 | 114.6 | C235 K236 D237 | C235-G239 PolarHBondContact O-N 3.41Å; K236-G239 PolarHBondContact O-N 3.38Å; D237-G239 VanDerWaalsContact C-N 3.31Å |
| 240 | M | 62.9 | Low | 69 | Low | 19 Ų | 19 | 82.8 Ų | 82.8 | 9% | 0.094 | 44% | 0.44 | C | S | . | . | trans | -100.3 | 116 | 179.3 | -59.2 | 172 | 62.7 | 0 | 0 | 110.9 | P212 E213 L216 C235 A238 V242 F259 | P212-M240 HydrophobicContact CB-SD 3.95Å; P212-M240 HydrophobicContact CG-SD 3.61Å; E213-M240 HydrophobicContact CB-CE 4.29Å; E213-M240 HydrophobicContact CG-CE 3.33Å; E213-M240 HydrophobicContact CG-SD 3.66Å; L216-M240 HydrophobicContact CD1-CE 4.34Å; C235-M240 CarbonylContact C-O 3.5Å; C235-M240 VanDerWaalsContact C-O 3.27Å; C235-M240 HydrophobicContact CB-CB 4.22Å; C235-M240 WeakPolarHBondContact O-CA 3.49Å; C235-M240 WeakPolarHBondContact O-CB 3.35Å; C235-M240 PolarHBondContact O-N 3.24Å; A238-M240 VanDerWaalsContact C-N 3.3Å; A238-M240 HydrophobicContact CB-CG 4.34Å; A238-M240 HydrophobicContact CB-SD 4.28Å; A238-M240 PolarHBondContact O-N 3.44Å; M240-V242 HydrophobicContact CB-CG2 4.1Å; M240-V242 PolarHBondContact O-N 2.91Å; M240-F259 HydrophobicContact CE-CD1 3.57Å; M240-F259 HydrophobicContact CE-CE1 3.16Å; M240-F259 HydrophobicContact CE-CZ 4.23Å | ||
| 241 | N | 62.2 | Low | 67.8 | Low | 105 Ų | 105 | 82.4 Ų | 82.4 | 56% | 0.561 | 45% | 0.452 | S | S | * | . | trans | -86.8 | 92.4 | 176.5 | -76.6 | -40.6 | 0 | 0 | 0 | 111.2 | ||||
| 242 | V | 65.1 | Low | 66.6 | Low | 15 Ų | 15 | 87.2 Ų | 87.2 | 9% | 0.091 | 48% | 0.478 | C | S | . | . | trans | -101.2 | 96 | -175.7 | 176.5 | 0 | 0 | 0 | 0 | 108.6 | L216 L232 C235 M240 I244 V258 | L216-V242 HydrophobicContact CD1-CB 4.26Å; L216-V242 HydrophobicContact CD1-CG1 3.76Å; L216-V242 HydrophobicContact CD1-CG2 3.51Å; L216-V242 HydrophobicContact CD2-CG1 4.14Å; L232-V242 WeakPolarHBondContact CD2-O 3.49Å; C235-V242 HydrophobicContact CB-CB 4.15Å; C235-V242 HydrophobicContact CB-CG2 3.8Å; M240-V242 HydrophobicContact CB-CG2 4.1Å; M240-V242 PolarHBondContact O-N 2.91Å; V242-I244 HydrophobicContact CG1-CB 4.34Å; V242-I244 HydrophobicContact CG1-CD1 3.12Å; V242-I244 HydrophobicContact CG1-CG1 3.39Å; V242-I244 PolarHBondContact O-N 3.06Å; V242-I244 VanDerWaalsContact O-N 3.17Å; V242-V258 HydrophobicContact CB-CG1 4.45Å; V242-V258 HydrophobicContact CG1-CG1 4.1Å; V242-V258 HydrophobicContact CG2-CG1 4.11Å | ||
| 243 | D | 63.3 | Low | 65.5 | Low | 115 Ų | 115 | 88.8 Ų | 88.8 | 62% | 0.615 | 49% | 0.486 | S | S | * | . | trans | -81.4 | 85.6 | 171.9 | -172.6 | 12.6 | 0 | 0 | 0 | 109.4 | H245 | D243-H245 IonicContact OD1-CE1 2.65Å; D243-H245 IonicContact OD1-ND1 2.7Å; D243-H245 PolarHBondContact OD1-ND1 3.31Å | ||
| 244 | I | 62.5 | Low | 64 | Low | 73 Ų | 73 | 86 Ų | 86 | 37% | 0.374 | 48% | 0.477 | S | S | . | . | trans | -105.5 | 110 | 174.7 | -68.6 | 168.9 | 0 | 0 | 0 | 108.6 | L216 V242 | L216-I244 HydrophobicContact CD2-CD1 3.34Å; V242-I244 HydrophobicContact CG1-CB 4.34Å; V242-I244 HydrophobicContact CG1-CD1 3.12Å; V242-I244 HydrophobicContact CG1-CG1 3.39Å; V242-I244 PolarHBondContact O-N 3.06Å; V242-I244 VanDerWaalsContact O-N 3.17Å | ||
| 245 | H | 58.4 | Low | 62.8 | Low | 121 Ų | 121 | 84.9 Ų | 84.9 | 56% | 0.56 | 48% | 0.479 | S | S | * | . | trans | -89.2 | 141.6 | 168.3 | -96.4 | 72.3 | 0 | 0 | 0 | 111.2 | D243 H247 M248 | D243-H245 IonicContact OD1-CE1 2.65Å; D243-H245 IonicContact OD1-ND1 2.7Å; D243-H245 PolarHBondContact OD1-ND1 3.31Å; H245-H247 PolarHBondContact O-N 3.21Å; H245-M248 HydrophobicContact CB-CG 4.1Å; H245-M248 HydrophobicContact CB-SD 4.48Å; H245-M248 PolarHBondContact O-N 2.97Å | ||
| 246 | P | 59.3 | Low | 61.9 | Low | 107 Ų | 107 | 92.9 Ų | 92.9 | 70% | 0.695 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -4 | -177.5 | -24.6 | 33.3 | 0 | 0 | 0 | 116.7 | ||
| 247 | H | 53.6 | Low | 60.7 | Low | 175 Ų | 175 | 93.2 Ų | 93.2 | 81% | 0.81 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | 10.7 | -178.7 | -64.2 | -64.8 | 0 | 0 | 0 | 113.4 | H245 V249 | H245-H247 PolarHBondContact O-N 3.21Å; H247-V249 PolarHBondContact O-N 3.25Å |
| 248 | M | 60.3 | Low | 59.5 | Low | 69 Ų | 69 | 88.5 Ų | 88.5 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | trans | -65.9 | 128.1 | 175 | -84.8 | -179.2 | 74.6 | 0 | 0 | 111 | H245 D252 I253 | H245-M248 HydrophobicContact CB-CG 4.1Å; H245-M248 HydrophobicContact CB-SD 4.48Å; H245-M248 PolarHBondContact O-N 2.97Å; M248-D252 HydrophobicContact CE-CB 4.41Å; M248-I253 HydrophobicContact CB-CG1 4.38Å; M248-I253 HydrophobicContact CE-CB 4.49Å; M248-I253 HydrophobicContact CE-CG1 3.76Å | ||
| 249 | V | 53.3 | Low | 58.6 | Low | 99 Ų | 99 | 90.4 Ų | 90.4 | 60% | 0.6 | 49% | 0.489 | S | S | * | . | trans | -87 | 146.4 | 177.4 | -178.7 | 0 | 0 | 0 | 0 | 109 | H247 G251 D252 | H247-V249 PolarHBondContact O-N 3.25Å; V249-G251 PolarHBondContact O-N 3.32Å; V249-D252 PolarHBondContact O-N 2.89Å | ||
| 250 | E | 55.9 | Low | 57.8 | Low | 129 Ų | 129 | 93.4 Ų | 93.4 | 60% | 0.603 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -22.5 | -175 | -62.8 | 177 | -170.4 | 0 | 0 | 114.7 | ||
| 251 | G | 57.7 | Low | 57.3 | Low | 71 Ų | 71 | 94.4 Ų | 94.4 | 73% | 0.732 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | -20.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | V249 | V249-G251 PolarHBondContact O-N 3.32Š|
| 252 | D | 54.1 | Low | 56.6 | Low | 116 Ų | 116 | 95.7 Ų | 95.7 | 62% | 0.62 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -9.9 | -178.8 | -63.6 | -33 | 0 | 0 | 0 | 112.5 | M248 V249 D254 | M248-D252 HydrophobicContact CE-CB 4.41Å; V249-D252 PolarHBondContact O-N 2.89Å; D252-D254 PolarHBondContact O-N 2.93Å; D252-D254 VanDerWaalsContact O-N 3.11Å |
| 253 | I | 56.7 | Low | 55.8 | Low | 87 Ų | 87 | 106.1 Ų | 106.1 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | trans | -84.4 | 79.3 | 177.5 | -53 | 172.7 | 0 | 0 | 0 | 108.6 | M248 A255 V258 | M248-I253 HydrophobicContact CB-CG1 4.38Å; M248-I253 HydrophobicContact CE-CB 4.49Å; M248-I253 HydrophobicContact CE-CG1 3.76Å; I253-A255 PolarHBondContact O-N 3.32Å; I253-V258 HydrophobicContact CG2-CG2 3.89Å | ||
| 254 | D | 53.7 | Low | 55 | Low | 75 Ų | 75 | 105.3 Ų | 105.3 | 40% | 0.401 | 56% | 0.562 | S | S | . | * | trans | -79.9 | 117.8 | 166.1 | -169.3 | -6.7 | 0 | 0 | 0 | 108.8 | D252 K256 K257 V258 | D252-D254 PolarHBondContact O-N 2.93Å; D252-D254 VanDerWaalsContact O-N 3.11Å; D254-K256 PolarHBondContact O-N 3.17Å; D254-K256 PolarHBondContact OD1-N 3Å; D254-K256 VanDerWaalsContact OD1-N 3.12Å; D254-K257 HydrophobicContact CB-CB 4.26Å; D254-K257 HydrophobicContact CB-CD 4.31Å; D254-K257 HydrophobicContact CB-CG 4.12Å; D254-K257 WeakPolarHBondContact O-CA 3.24Å; D254-K257 WeakPolarHBondContact O-CB 3.15Å; D254-K257 PolarHBondContact O-N 3.28Å; D254-V258 PolarHBondContact O-N 3.49Å | ||
| 255 | A | 56 | Low | 54 | Low | 55 Ų | 55 | 106.5 Ų | 106.5 | 46% | 0.455 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -52.7 | -30.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I253 K257 V258 F259 | I253-A255 PolarHBondContact O-N 3.32Å; A255-K257 VanDerWaalsContact C-N 3.33Å; A255-K257 PolarHBondContact O-N 2.72Å; A255-V258 PolarHBondContact O-N 3.49Å; A255-F259 HydrophobicContact CB-CD2 4.22Å; A255-F259 HydrophobicContact CB-CE2 4.09Å; A255-F259 WeakPolarHBondContact O-CB 3.15Å; A255-F259 WeakPolarHBondContact O-CD2 3.39Å; A255-F259 WeakPolarHBondContact O-CG 3.42Å; A255-F259 PolarHBondContact O-N 2.68Å |
| 256 | K | 57.8 | Low | 52.9 | Low | 169 Ų | 169 | 105.3 Ų | 105.3 | 74% | 0.735 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -69.1 | -29.8 | 175.9 | -65.3 | 179.2 | -179.2 | 177.2 | 0 | 113.2 | D254 T260 | D254-K256 PolarHBondContact O-N 3.17Å; D254-K256 PolarHBondContact OD1-N 3Å; D254-K256 VanDerWaalsContact OD1-N 3.12Å; K256-T260 WeakPolarHBondContact O-CG2 3.38Å |
| 257 | K | 58 | Low | 51.6 | Low | 152 Ų | 152 | 111.3 Ų | 111.3 | 66% | 0.661 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -81.3 | -37.3 | 175.2 | -69.8 | -174.9 | 179.1 | 179.3 | 0 | 111.9 | D254 A255 F259 T260 | D254-K257 HydrophobicContact CB-CB 4.26Å; D254-K257 HydrophobicContact CB-CD 4.31Å; D254-K257 HydrophobicContact CB-CG 4.12Å; D254-K257 WeakPolarHBondContact O-CA 3.24Å; D254-K257 WeakPolarHBondContact O-CB 3.15Å; D254-K257 PolarHBondContact O-N 3.28Å; A255-K257 VanDerWaalsContact C-N 3.33Å; A255-K257 PolarHBondContact O-N 2.72Å; K257-F259 VanDerWaalsContact C-N 3.3Å; K257-F259 PolarHBondContact O-N 2.78Å; K257-T260 PolarHBondContact O-N 2.73Å; K257-T260 PolarHBondContact O-OG1 2.84Å |
| 258 | V | 54.2 | Low | 51.5 | Low | 16 Ų | 16 | 108.2 Ų | 108.2 | 10% | 0.097 | 60% | 0.599 | C | S | . | * | H | α-helix | trans | -68.5 | -27.6 | 176.3 | -179.5 | 0 | 0 | 0 | 0 | 112.4 | V242 I253 D254 A255 | V242-V258 HydrophobicContact CB-CG1 4.45Å; V242-V258 HydrophobicContact CG1-CG1 4.1Å; V242-V258 HydrophobicContact CG2-CG1 4.11Å; I253-V258 HydrophobicContact CG2-CG2 3.89Å; D254-V258 PolarHBondContact O-N 3.49Å; A255-V258 PolarHBondContact O-N 3.49Å |
| 259 | F | 56.6 | Low | 51.1 | Low | 95 Ų | 95 | 110.2 Ų | 110.2 | 42% | 0.417 | 61% | 0.613 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -110.9 | 37.4 | 177.4 | -52.9 | -53.2 | 0 | 0 | 0 | 112.7 | L216 M240 A255 K257 G261 | L216-F259 HydrophobicContact CD1-CE1 4.39Å; M240-F259 HydrophobicContact CE-CD1 3.57Å; M240-F259 HydrophobicContact CE-CE1 3.16Å; M240-F259 HydrophobicContact CE-CZ 4.23Å; A255-F259 HydrophobicContact CB-CD2 4.22Å; A255-F259 HydrophobicContact CB-CE2 4.09Å; A255-F259 WeakPolarHBondContact O-CB 3.15Å; A255-F259 WeakPolarHBondContact O-CD2 3.39Å; A255-F259 WeakPolarHBondContact O-CG 3.42Å; A255-F259 PolarHBondContact O-N 2.68Å; K257-F259 VanDerWaalsContact C-N 3.3Å; K257-F259 PolarHBondContact O-N 2.78Å; F259-G261 PolarHBondContact O-N 3.13Å |
| 260 | T | 53 | Low | 51 | Low | 98 Ų | 98 | 110.8 Ų | 110.8 | 60% | 0.601 | 61% | 0.614 | S | S | * | * | trans | -77.4 | 92.9 | 172.6 | 43 | 0 | 0 | 0 | 0 | 111.6 | K256 K257 | K256-T260 WeakPolarHBondContact O-CG2 3.38Å; K257-T260 PolarHBondContact O-N 2.73Å; K257-T260 PolarHBondContact O-OG1 2.84Å | ||
| 261 | G | 50.9 | Low | 50.7 | Low | 41 Ų | 41 | 109.8 Ų | 109.8 | 42% | 0.423 | 61% | 0.614 | S | S | . | * | S | Bend | trans | 78.4 | 115.5 | 167.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | F259 | F259-G261 PolarHBondContact O-N 3.13Š|
| 262 | I | 47.6 | Very low | 50.2 | Low | 131 Ų | 131 | 112.2 Ų | 112.2 | 67% | 0.672 | 61% | 0.607 | S | S | * | * | cis | -140.8 | 122.7 | 41.9 | -59.1 | 164.9 | 0 | 0 | 0 | 108.4 | S264 | I262-S264 PolarHBondContact O-N 2.69Š| ||
| 263 | R | 49.5 | Very low | 50 | Low | 234 Ų | 234 | 111.9 Ų | 111.9 | 88% | 0.883 | 61% | 0.606 | S | S | * | * | trans | -77 | 78.6 | 161.3 | -164.3 | -171 | -175.7 | 171.8 | 0.3 | 106.8 | V265 | R263-V265 HydrophobicContact CG-CG2 3.77Å; R263-V265 PolarHBondContact O-N 3.31Å | ||
| 264 | S | 45.9 | Very low | 49.5 | Very low | 98 Ų | 98 | 113.7 Ų | 113.7 | 69% | 0.685 | 62% | 0.617 | S | S | * | * | trans | -76 | 80.8 | 169.7 | 49.3 | 0 | 0 | 0 | 0 | 107.3 | I262 A266 | I262-S264 PolarHBondContact O-N 2.69Å; S264-A266 VanDerWaalsContact C-N 3.26Å; S264-A266 PolarHBondContact O-N 2.9Å | ||
| 265 | V | 41.2 | Very low | 49.2 | Very low | 98 Ų | 98 | 116.7 Ų | 116.7 | 59% | 0.594 | 63% | 0.634 | S | S | * | * | trans | -66.1 | 95.2 | 160 | -176.1 | 0 | 0 | 0 | 0 | 106 | R263 L267 | R263-V265 HydrophobicContact CG-CG2 3.77Å; R263-V265 PolarHBondContact O-N 3.31Å; V265-L267 PolarHBondContact O-N 3.47Å | ||
| 266 | A | 35.9 | Very low | 48.6 | Very low | 97 Ų | 97 | 121.8 Ų | 121.8 | 80% | 0.802 | 65% | 0.649 | S | S | * | * | trans | -82.4 | 106 | 159.5 | 0 | 0 | 0 | 0 | 0 | 106.8 | S264 | S264-A266 VanDerWaalsContact C-N 3.26Å; S264-A266 PolarHBondContact O-N 2.9Å | ||
| 267 | L | 32.4 | Very low | 47.7 | Very low | 233 Ų | 233 | 117.5 Ų | 117.5 | 100% | 1.22 | 64% | 0.641 | S | S | * | * | trans | -66.1 | 0 | 157.9 | -84.9 | 161.9 | 0 | 0 | 0 | 109.8 | V265 | V265-L267 PolarHBondContact O-N 3.47Š|
Retrieved 267 of 267 residues in 213.2 ms
(Link to these results)