| 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 | 37 | Very low | 40.4 | Very low | 245 Ų | 245 | 150.2 Ų | 150.2 | 100% | 1.207 | 80% | 0.797 | S | S | * | * | 0 | 134.7 | 0 | -82 | -166.7 | -169.6 | 0 | 0 | 108.1 | |||||
| 2 | A | 41.2 | Very low | 41.9 | Very low | 103 Ų | 103 | 145 Ų | 145 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | trans | 57.1 | 97.8 | 153.8 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 3 | E | 45.3 | Very low | 42.5 | Very low | 169 Ų | 169 | 149.4 Ų | 149.4 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | -47.8 | 147.6 | 136.6 | 174.7 | -175 | 160.6 | 0 | 0 | 113.9 | ||||
| 4 | T | 38.7 | Very low | 43.3 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 81% | 0.81 | 81% | 0.808 | S | S | * | * | trans | 175.3 | 113.6 | 137.4 | 45.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 5 | R | 39.6 | Very low | 44.2 | Very low | 188 Ų | 188 | 143.6 Ų | 143.6 | 71% | 0.709 | 80% | 0.804 | S | S | * | * | 76.7 | 96.8 | 62.4 | -162.9 | 179.5 | 167.2 | 124.6 | 21.4 | 112.9 | |||||
| 6 | E | 41 | Very low | 44.9 | Very low | 117 Ų | 117 | 137.6 Ų | 137.6 | 55% | 0.547 | 78% | 0.784 | S | S | . | * | trans | 84.4 | 142.4 | 131.5 | -60.4 | 170.9 | -163.8 | 0 | 0 | 123.6 | ||||
| 7 | E | 41.8 | Very low | 45.5 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 77% | 0.771 | 78% | 0.779 | S | S | * | * | trans | 77.7 | 105.5 | 149.4 | -26.2 | -167.1 | 148.6 | 0 | 0 | 120.7 | ||||
| 8 | E | 33.8 | Very low | 46.2 | Very low | 182 Ų | 182 | 137.5 Ų | 137.5 | 85% | 0.85 | 78% | 0.78 | S | S | * | * | -136.5 | 99.5 | 129.7 | -162.1 | 173.3 | 144.5 | 0 | 0 | 108.7 | V10 | E8-V10 PolarHBondContact O-N 3.28Å; E8-V10 VanDerWaalsContact O-N 3.15Å | |||
| 9 | T | 40.5 | Very low | 47.3 | Very low | 116 Ų | 116 | 137.9 Ų | 137.9 | 71% | 0.712 | 78% | 0.78 | S | S | * | * | trans | -63.6 | 102.4 | 169.7 | 47.6 | 0 | 0 | 0 | 0 | 109.2 | S11 | T9-S11 VanDerWaalsContact C-N 3.32Å; T9-S11 PolarHBondContact O-N 3.36Å | ||
| 10 | V | 39.8 | Very low | 48.2 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 81% | 0.806 | 75% | 0.754 | S | S | * | * | trans | -74.3 | 96.2 | 162.4 | 176.8 | 0 | 0 | 0 | 0 | 106.8 | E8 A12 | E8-V10 PolarHBondContact O-N 3.28Å; E8-V10 VanDerWaalsContact O-N 3.15Å; V10-A12 PolarHBondContact O-N 2.92Å | ||
| 11 | S | 45.8 | Very low | 49.5 | Very low | 102 Ų | 102 | 130.9 Ų | 130.9 | 71% | 0.713 | 74% | 0.744 | S | S | * | * | trans | -52.3 | 132.4 | 175.8 | -67.2 | 0 | 0 | 0 | 0 | 111.2 | T9 | T9-S11 VanDerWaalsContact C-N 3.32Å; T9-S11 PolarHBondContact O-N 3.36Å | ||
| 12 | A | 58.5 | Low | 51.4 | Low | 88 Ų | 88 | 126 Ų | 126 | 73% | 0.727 | 72% | 0.723 | S | S | * | * | trans | -45.5 | 146.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V10 | V10-A12 PolarHBondContact O-N 2.92Š| ||
| 13 | E | 50 | Low | 52.9 | Low | 202 Ų | 202 | 125.5 Ų | 125.5 | 94% | 0.944 | 71% | 0.713 | S | S | * | * | trans | 165.3 | 53.4 | 142.5 | -88.4 | 169.4 | 162.9 | 0 | 0 | 112 | ||||
| 14 | A | 53 | Low | 54.3 | Low | 106 Ų | 106 | 121.2 Ų | 121.2 | 88% | 0.876 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -150 | 17.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 15 | S | 57.1 | Low | 55.8 | Low | 106 Ų | 106 | 119.3 Ų | 119.3 | 74% | 0.741 | 67% | 0.674 | S | S | * | * | trans | -124.4 | 60.4 | -174.8 | -170.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 16 | G | 55.8 | Low | 57.3 | Low | 47 Ų | 47 | 114.7 Ų | 114.7 | 49% | 0.485 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -120.6 | -20.8 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 17 | F | 55.3 | Low | 58.7 | Low | 159 Ų | 159 | 116 Ų | 116 | 70% | 0.697 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -122.6 | -7.4 | -170.8 | -69.3 | -79 | 0 | 0 | 0 | 114.5 | L20 F25 | F17-L20 HydrophobicContact CD1-CD1 4.17Å; F17-F25 HydrophobicContact CD1-CD2 4.36Å; F17-F25 AromaticContact CD1-CE2 3.87Å; F17-F25 HydrophobicContact CD1-CE2 3.87Å; F17-F25 AromaticContact CE1-CE2 3.97Å; F17-F25 HydrophobicContact CE1-CE2 3.97Å |
| 18 | S | 57.3 | Low | 60 | Low | 115 Ų | 115 | 113.3 Ų | 113.3 | 80% | 0.804 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -85.7 | -13.9 | 179.8 | -164 | 0 | 0 | 0 | 0 | 114 | ||
| 19 | D | 66.4 | Low | 61.6 | Low | 146 Ų | 146 | 108.8 Ų | 108.8 | 78% | 0.781 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -97.2 | -8.9 | 179.3 | -80.3 | -17.3 | 0 | 0 | 0 | 113 | ||
| 20 | L | 66.9 | Low | 62.9 | Low | 50 Ų | 50 | 108.6 Ų | 108.6 | 26% | 0.262 | 63% | 0.631 | S | S | . | * | S | Bend | trans | -85.3 | 125.6 | 177.6 | -56.7 | 175.3 | 0 | 0 | 0 | 108.6 | F17 E24 F28 | F17-L20 HydrophobicContact CD1-CD1 4.17Å; L20-E24 HydrophobicContact CD2-CG 4.11Å; L20-E24 WeakPolarHBondContact CD2-OE1 3.4Å; L20-E24 VanDerWaalsContact CD2-OE2 3.25Å; L20-E24 WeakPolarHBondContact CD2-OE2 3.48Å; L20-F28 HydrophobicContact CD2-CE2 4.4Å |
| 21 | S | 74.4 | Confident | 64.1 | Low | 77 Ų | 77 | 107.7 Ų | 107.7 | 54% | 0.538 | 62% | 0.621 | S | S | . | * | trans | -69.4 | 148.2 | 172.6 | -176.2 | 0 | 0 | 0 | 0 | 109.6 | S23 E24 F25 | S21-S23 PolarHBondContact O-N 3.13Å; S21-E24 WeakPolarHBondContact O-CB 3.34Å; S21-E24 PolarHBondContact O-N 3.2Å; S21-F25 PolarHBondContact O-N 3.49Å | ||
| 22 | D | 77 | Confident | 64.9 | Low | 142 Ų | 142 | 108.2 Ų | 108.2 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -50.5 | -26.6 | 180 | -65.1 | -22.8 | 0 | 0 | 0 | 113.3 | L26 | D22-L26 PolarHBondContact O-N 3.28Å |
| 23 | S | 73 | Confident | 65 | Low | 94 Ų | 94 | 106.7 Ų | 106.7 | 66% | 0.657 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.6 | -33.5 | 178.6 | -54.8 | 0 | 0 | 0 | 0 | 113.7 | S21 | S21-S23 PolarHBondContact O-N 3.13Å |
| 24 | E | 74.1 | Confident | 65.5 | Low | 78 Ų | 78 | 98.6 Ų | 98.6 | 36% | 0.364 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -75.8 | -36.8 | 177.1 | 173.8 | 175.4 | -156.6 | 0 | 0 | 110.3 | L20 S21 L26 E27 F28 | L20-E24 HydrophobicContact CD2-CG 4.11Å; L20-E24 WeakPolarHBondContact CD2-OE1 3.4Å; L20-E24 VanDerWaalsContact CD2-OE2 3.25Å; L20-E24 WeakPolarHBondContact CD2-OE2 3.48Å; S21-E24 WeakPolarHBondContact O-CB 3.34Å; S21-E24 PolarHBondContact O-N 3.2Å; E24-L26 PolarHBondContact O-N 3.25Å; E24-E27 WeakPolarHBondContact O-CB 3.04Å; E24-E27 PolarHBondContact O-N 3.03Å; E24-F28 HydrophobicContact CG-CD2 3.89Å; E24-F28 HydrophobicContact CG-CE2 3.46Å; E24-F28 VanDerWaalsContact CG-CE2 3.46Å; E24-F28 WeakPolarHBondContact O-CD2 3.36Å; E24-F28 PolarHBondContact O-N 3.05Å; E24-F28 VanDerWaalsContact O-N 3.13Å |
| 25 | F | 71.6 | Confident | 65.7 | Low | 93 Ų | 93 | 99.5 Ų | 99.5 | 41% | 0.408 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.1 | -36.5 | 173.6 | -163.8 | -100.5 | 0 | 0 | 0 | 112.4 | F17 S21 F28 L29 | F17-F25 HydrophobicContact CD1-CD2 4.36Å; F17-F25 AromaticContact CD1-CE2 3.87Å; F17-F25 HydrophobicContact CD1-CE2 3.87Å; F17-F25 AromaticContact CE1-CE2 3.97Å; F17-F25 HydrophobicContact CE1-CE2 3.97Å; S21-F25 PolarHBondContact O-N 3.49Å; F25-F28 PolarHBondContact O-N 3.34Å; F25-L29 HydrophobicContact CD1-CD1 3.55Å; F25-L29 HydrophobicContact CD1-CG 4.28Å; F25-L29 HydrophobicContact CE1-CD1 3.57Å; F25-L29 HydrophobicContact CE1-CG 4.14Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.17Å; F25-L29 VanDerWaalsContact O-N 3.1Å |
| 26 | L | 69.5 | Low | 65.5 | Low | 90 Ų | 90 | 100.3 Ų | 100.3 | 47% | 0.471 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 174.6 | -122 | 81.7 | 0 | 0 | 0 | 112.6 | D22 E24 L29 D30 | D22-L26 PolarHBondContact O-N 3.28Å; E24-L26 PolarHBondContact O-N 3.25Å; L26-L29 PolarHBondContact O-N 3.47Å; L26-D30 PolarHBondContact O-N 3.45Å |
| 27 | E | 71.5 | Confident | 65.4 | Low | 145 Ų | 145 | 100.3 Ų | 100.3 | 68% | 0.678 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -68.5 | -38 | 178.5 | -173.8 | 173.6 | -177.2 | 0 | 0 | 111.7 | E24 L31 | E24-E27 WeakPolarHBondContact O-CB 3.04Å; E24-E27 PolarHBondContact O-N 3.03Å; E27-L31 WeakPolarHBondContact O-CB 3.32Å; E27-L31 PolarHBondContact O-N 3.3Å; E27-L31 VanDerWaalsContact O-N 3.08Å |
| 28 | F | 69 | Low | 65.2 | Low | 109 Ų | 109 | 99.3 Ų | 99.3 | 48% | 0.478 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.6 | -41.9 | 173.8 | -76 | -71.6 | 0 | 0 | 0 | 112.5 | L20 E24 F25 L31 E32 | L20-F28 HydrophobicContact CD2-CE2 4.4Å; E24-F28 HydrophobicContact CG-CD2 3.89Å; E24-F28 HydrophobicContact CG-CE2 3.46Å; E24-F28 VanDerWaalsContact CG-CE2 3.46Å; E24-F28 WeakPolarHBondContact O-CD2 3.36Å; E24-F28 PolarHBondContact O-N 3.05Å; E24-F28 VanDerWaalsContact O-N 3.13Å; F25-F28 PolarHBondContact O-N 3.34Å; F28-L31 PolarHBondContact O-N 3.38Å; F28-E32 WeakPolarHBondContact O-CB 3.42Å; F28-E32 PolarHBondContact O-N 2.76Å |
| 29 | L | 66.1 | Low | 64.7 | Low | 87 Ų | 87 | 96.7 Ų | 96.7 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 175.4 | -78 | 161.8 | 0 | 0 | 0 | 112.2 | F25 L26 L31 E32 D33 | F25-L29 HydrophobicContact CD1-CD1 3.55Å; F25-L29 HydrophobicContact CD1-CG 4.28Å; F25-L29 HydrophobicContact CE1-CD1 3.57Å; F25-L29 HydrophobicContact CE1-CG 4.14Å; F25-L29 WeakPolarHBondContact O-CG 3.49Å; F25-L29 PolarHBondContact O-N 3.17Å; F25-L29 VanDerWaalsContact O-N 3.1Å; L26-L29 PolarHBondContact O-N 3.47Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 3.1Å; L29-E32 PolarHBondContact O-N 3.2Å; L29-D33 PolarHBondContact O-N 3.37Å |
| 30 | D | 68.1 | Low | 63.7 | Low | 112 Ų | 112 | 96.6 Ų | 96.6 | 60% | 0.599 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.1 | -33.8 | 177.6 | -81.7 | -7.7 | 0 | 0 | 0 | 111.9 | L26 A34 | L26-D30 PolarHBondContact O-N 3.45Å; D30-A34 PolarHBondContact O-N 2.89Å |
| 31 | L | 65.8 | Low | 62.7 | Low | 113 Ų | 113 | 99.9 Ų | 99.9 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -74.2 | -38.1 | 177.6 | -174.6 | 64.5 | 0 | 0 | 0 | 112.5 | E27 F28 L29 A34 Q35 | E27-L31 WeakPolarHBondContact O-CB 3.32Å; E27-L31 PolarHBondContact O-N 3.3Å; E27-L31 VanDerWaalsContact O-N 3.08Å; F28-L31 PolarHBondContact O-N 3.38Å; L29-L31 VanDerWaalsContact C-N 3.28Å; L29-L31 PolarHBondContact O-N 3.1Å; L31-A34 PolarHBondContact O-N 2.81Å; L31-Q35 PolarHBondContact O-N 3.46Å; L31-Q35 VanDerWaalsContact O-N 3.15Å |
| 32 | E | 63.4 | Low | 61.2 | Low | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -71.5 | -40.9 | 179.9 | -165.4 | 152.5 | 92 | 0 | 0 | 111.7 | F28 L29 A34 Q35 E36 | F28-E32 WeakPolarHBondContact O-CB 3.42Å; F28-E32 PolarHBondContact O-N 2.76Å; L29-E32 PolarHBondContact O-N 3.2Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 2.95Å; E32-Q35 CarbonylContact O-C 3.56Å; E32-Q35 WeakPolarHBondContact O-CA 3.5Å; E32-Q35 WeakPolarHBondContact O-CB 3.34Å; E32-Q35 PolarHBondContact O-N 2.81Å; E32-E36 PolarHBondContact O-N 3.01Å |
| 33 | D | 59.8 | Low | 59.4 | Low | 56 Ų | 56 | 103 Ų | 103 | 30% | 0.299 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -60.5 | -39.8 | 173.1 | -172.2 | 83.4 | 0 | 0 | 0 | 111.7 | L29 Q35 S37 H77 | L29-D33 PolarHBondContact O-N 3.37Å; D33-Q35 PolarHBondContact O-N 2.76Å; D33-S37 WeakPolarHBondContact O-CB 3.4Å; D33-S37 PolarHBondContact O-N 2.97Å; D33-S37 VanDerWaalsContact O-N 3.09Å; D33-S37 PolarHBondContact O-OG 3.38Å; D33-H77 IonicContact OD1-CE1 3.5Å |
| 34 | A | 60.9 | Low | 58.1 | Low | 32 Ų | 32 | 104.7 Ų | 104.7 | 26% | 0.264 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -64.9 | -27.9 | 173 | 0 | 0 | 0 | 0 | 0 | 112.4 | D30 L31 E32 S37 K38 | D30-A34 PolarHBondContact O-N 2.89Å; L31-A34 PolarHBondContact O-N 2.81Å; E32-A34 VanDerWaalsContact C-N 3.29Å; E32-A34 PolarHBondContact O-N 2.95Å; A34-S37 PolarHBondContact O-OG 3.38Å; A34-K38 WeakPolarHBondContact O-CD 3.44Å; A34-K38 WeakPolarHBondContact O-CE 2.79Å; A34-K38 WeakPolarHBondContact O-CG 3.4Å |
| 35 | Q | 57 | Low | 56 | Low | 125 Ų | 125 | 104 Ų | 104 | 58% | 0.584 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -83.8 | -41.7 | 178.2 | -177.3 | 175.2 | -7 | 0 | 0 | 112.6 | L31 E32 D33 S37 K38 A39 | L31-Q35 PolarHBondContact O-N 3.46Å; L31-Q35 VanDerWaalsContact O-N 3.15Å; E32-Q35 CarbonylContact O-C 3.56Å; E32-Q35 WeakPolarHBondContact O-CA 3.5Å; E32-Q35 WeakPolarHBondContact O-CB 3.34Å; E32-Q35 PolarHBondContact O-N 2.81Å; D33-Q35 PolarHBondContact O-N 2.76Å; Q35-S37 VanDerWaalsContact C-N 3.32Å; Q35-S37 PolarHBondContact O-N 2.95Å; Q35-K38 PolarHBondContact O-N 3.36Å; Q35-K38 VanDerWaalsContact O-N 3.13Å; Q35-A39 PolarHBondContact O-N 3.07Å; Q35-A39 VanDerWaalsContact O-N 3.14Å |
| 36 | E | 52.4 | Low | 54.7 | Low | 122 Ų | 122 | 105.9 Ų | 105.9 | 57% | 0.57 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -64.4 | -36.9 | 177.2 | -72.7 | -172.2 | 154.2 | 0 | 0 | 111.8 | E32 K38 A39 L40 | E32-E36 PolarHBondContact O-N 3.01Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.48Å; E36-A39 WeakPolarHBondContact O-CB 2.99Å; E36-A39 PolarHBondContact O-N 2.85Å; E36-A39 VanDerWaalsContact O-N 3.08Å; E36-L40 PolarHBondContact O-N 2.94Å |
| 37 | S | 53.2 | Low | 53.5 | Low | 47 Ų | 47 | 107.1 Ų | 107.1 | 33% | 0.329 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -61.5 | -32.7 | 172.2 | 53.5 | 0 | 0 | 0 | 0 | 113.1 | D33 A34 Q35 V41 | D33-S37 WeakPolarHBondContact O-CB 3.4Å; D33-S37 PolarHBondContact O-N 2.97Å; D33-S37 VanDerWaalsContact O-N 3.09Å; D33-S37 PolarHBondContact O-OG 3.38Å; A34-S37 PolarHBondContact O-OG 3.38Å; Q35-S37 VanDerWaalsContact C-N 3.32Å; Q35-S37 PolarHBondContact O-N 2.95Å; S37-V41 WeakPolarHBondContact O-CG2 3.42Å |
| 38 | K | 52.5 | Low | 52.1 | Low | 138 Ų | 138 | 105.8 Ų | 105.8 | 60% | 0.6 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.9 | -29.4 | 173.9 | -28.2 | -175 | -169.5 | 179.7 | 0 | 111.9 | A34 Q35 E36 N42 | A34-K38 WeakPolarHBondContact O-CD 3.44Å; A34-K38 WeakPolarHBondContact O-CE 2.79Å; A34-K38 WeakPolarHBondContact O-CG 3.4Å; Q35-K38 PolarHBondContact O-N 3.36Å; Q35-K38 VanDerWaalsContact O-N 3.13Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.48Å; K38-N42 PolarHBondContact O-ND2 2.93Å; K38-N42 VanDerWaalsContact O-ND2 3.16Å |
| 39 | A | 46.5 | Very low | 50.5 | Low | 60 Ų | 60 | 109.2 Ų | 109.2 | 50% | 0.496 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -75.3 | -35.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112 | Q35 E36 V41 N42 | Q35-A39 PolarHBondContact O-N 3.07Å; Q35-A39 VanDerWaalsContact O-N 3.14Å; E36-A39 WeakPolarHBondContact O-CB 2.99Å; E36-A39 PolarHBondContact O-N 2.85Å; E36-A39 VanDerWaalsContact O-N 3.08Å; A39-V41 VanDerWaalsContact C-N 3.28Å; A39-V41 PolarHBondContact O-N 3.27Å; A39-N42 PolarHBondContact O-N 3.37Å; A39-N42 VanDerWaalsContact O-N 3.09Å |
| 40 | L | 45.5 | Very low | 49.6 | Very low | 145 Ų | 145 | 110.1 Ų | 110.1 | 76% | 0.759 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -70.2 | -25 | 179 | -154.2 | 137 | 0 | 0 | 0 | 112.7 | E36 N42 | E36-L40 PolarHBondContact O-N 2.94Å; L40-N42 PolarHBondContact O-N 3.3Å |
| 41 | V | 45.4 | Very low | 48.2 | Very low | 119 Ų | 119 | 113.4 Ų | 113.4 | 72% | 0.721 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.8 | -20 | 170.9 | 172.7 | 0 | 0 | 0 | 0 | 112.6 | S37 A39 | S37-V41 WeakPolarHBondContact O-CG2 3.42Å; A39-V41 VanDerWaalsContact C-N 3.28Å; A39-V41 PolarHBondContact O-N 3.27Å |
| 42 | N | 42.2 | Very low | 46.6 | Very low | 125 Ų | 125 | 111.2 Ų | 111.2 | 67% | 0.668 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | 5.5 | -174.1 | -65.9 | -30 | 0 | 0 | 0 | 114.7 | K38 A39 L40 P44 | K38-N42 PolarHBondContact O-ND2 2.93Å; K38-N42 VanDerWaalsContact O-ND2 3.16Å; A39-N42 PolarHBondContact O-N 3.37Å; A39-N42 VanDerWaalsContact O-N 3.09Å; L40-N42 PolarHBondContact O-N 3.3Å; N42-P44 WeakPolarHBondContact O-CD 3.48Å |
| 43 | M | 39.9 | Very low | 45.9 | Very low | 158 Ų | 158 | 115.6 Ų | 115.6 | 78% | 0.778 | 68% | 0.675 | S | S | * | * | trans | -91.3 | 114 | 172.1 | -75.6 | -67.9 | 174.4 | 0 | 0 | 110.2 | G45 | M43-G45 PolarHBondContact O-N 2.91Š| ||
| 44 | P | 46.6 | Very low | 44.8 | Very low | 131 Ų | 131 | 119.4 Ų | 119.4 | 85% | 0.851 | 70% | 0.696 | S | S | * | * | trans | -78.7 | 106.1 | 177.3 | 30.3 | -29.2 | 0 | 0 | 0 | 109.5 | N42 | N42-P44 WeakPolarHBondContact O-CD 3.48Š| ||
| 45 | G | 29.8 | Very low | 44.3 | Very low | 64 Ų | 64 | 126.1 Ų | 126.1 | 66% | 0.66 | 73% | 0.727 | S | S | * | * | trans | -139.5 | 146 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | M43 | M43-G45 PolarHBondContact O-N 2.91Š| ||
| 46 | P | 42.9 | Very low | 44.4 | Very low | 132 Ų | 132 | 127.6 Ų | 127.6 | 86% | 0.857 | 73% | 0.731 | S | S | * | * | trans | -88.2 | 142.1 | -139.7 | 33.3 | -34.4 | 0 | 0 | 0 | 114.9 | ||||
| 47 | S | 45.6 | Very low | 44.1 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 74% | 0.741 | S | S | * | * | trans | 65.2 | 93.6 | 153.7 | -169.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 48 | S | 42.2 | Very low | 43.8 | Very low | 117 Ų | 117 | 131.3 Ų | 131.3 | 82% | 0.818 | 76% | 0.757 | S | S | * | * | -141.3 | 125.4 | 128.5 | 79.8 | 0 | 0 | 0 | 0 | 110.2 | |||||
| 49 | E | 35.4 | Very low | 43.9 | Very low | 181 Ų | 181 | 127.3 Ų | 127.3 | 85% | 0.846 | 75% | 0.746 | S | S | * | * | trans | -44.4 | 130.6 | 177.7 | -109.5 | 155.9 | 78.2 | 0 | 0 | 114.5 | ||||
| 50 | S | 47.1 | Very low | 44.2 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | trans | 37.3 | 107.2 | 151.4 | 64.4 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 51 | L | 37.7 | Very low | 44.7 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 95% | 0.953 | 75% | 0.754 | S | S | * | * | trans | -127.1 | 120.6 | 136.9 | -167.6 | 60.1 | 0 | 0 | 0 | 109 | ||||
| 52 | G | 32.5 | Very low | 45.2 | Very low | 66 Ų | 66 | 130.3 Ų | 130.3 | 68% | 0.68 | 75% | 0.745 | S | S | * | * | trans | -58.8 | 157 | -163.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | D54 | G52-D54 PolarHBondContact O-N 3.09Š| ||
| 53 | K | 48.7 | Very low | 45.5 | Very low | 206 Ų | 206 | 129.6 Ų | 129.6 | 90% | 0.896 | 73% | 0.733 | S | S | * | * | trans | -39.2 | 118.7 | 168 | -59.6 | -177.9 | 172 | -172.3 | 0 | 112 | ||||
| 54 | D | 37.3 | Very low | 46.3 | Very low | 137 Ų | 137 | 128.8 Ų | 128.8 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -154.9 | 94.8 | 144.8 | -120.4 | -39.7 | 0 | 0 | 0 | 107.6 | G52 K56 | G52-D54 PolarHBondContact O-N 3.09Å; D54-K56 PolarHBondContact O-N 3.48Å | ||
| 55 | D | 49.8 | Very low | 47 | Very low | 172 Ų | 172 | 131.1 Ų | 131.1 | 92% | 0.92 | 72% | 0.717 | S | S | * | * | trans | -68.7 | 65.3 | 167.6 | -72.9 | -53.7 | 0 | 0 | 0 | 109.2 | ||||
| 56 | K | 58.8 | Low | 48.3 | Very low | 156 Ų | 156 | 129.8 Ų | 129.8 | 68% | 0.678 | 70% | 0.703 | S | S | * | * | trans | -102.2 | 129 | 170.2 | -140 | 138.8 | -172.7 | 171.5 | 0 | 106.8 | D54 I58 | D54-K56 PolarHBondContact O-N 3.48Å; K56-I58 PolarHBondContact O-N 3.33Å | ||
| 57 | P | 47.3 | Very low | 48.9 | Very low | 119 Ų | 119 | 125.8 Ų | 125.8 | 77% | 0.773 | 67% | 0.674 | S | S | * | * | trans | -55.3 | 115.6 | 172.8 | 24.3 | -31.9 | 0 | 0 | 0 | 106.2 | S59 | P57-S59 VanDerWaalsContact C-N 3.29Å; P57-S59 PolarHBondContact O-N 3.13Å | ||
| 58 | I | 46.8 | Very low | 49.6 | Very low | 128 Ų | 128 | 125.6 Ų | 125.6 | 66% | 0.656 | 66% | 0.664 | S | S | * | * | trans | -56.2 | 104.2 | 177.5 | -64.2 | 165.3 | 0 | 0 | 0 | 104.4 | K56 L60 | K56-I58 PolarHBondContact O-N 3.33Å; I58-L60 PolarHBondContact O-N 3.34Å; I58-L60 VanDerWaalsContact O-N 3.13Å | ||
| 59 | S | 53 | Low | 50.8 | Low | 54 Ų | 54 | 126.7 Ų | 126.7 | 38% | 0.378 | 66% | 0.659 | S | S | . | * | trans | -51.6 | 126.7 | -179.2 | 170.9 | 0 | 0 | 0 | 0 | 107 | P57 Q61 N62 W63 | P57-S59 VanDerWaalsContact C-N 3.29Å; P57-S59 PolarHBondContact O-N 3.13Å; S59-Q61 PolarHBondContact O-N 3.38Å; S59-N62 WeakPolarHBondContact O-CB 3.45Å; S59-N62 PolarHBondContact O-N 3.19Å; S59-W63 PolarHBondContact O-N 3.06Å | ||
| 60 | L | 53.2 | Low | 52.5 | Low | 134 Ų | 134 | 121.6 Ų | 121.6 | 70% | 0.702 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -50.9 | -26.1 | -179.7 | -159.4 | 156.1 | 0 | 0 | 0 | 111.3 | I58 N62 W63 K64 | I58-L60 PolarHBondContact O-N 3.34Å; I58-L60 VanDerWaalsContact O-N 3.13Å; L60-N62 PolarHBondContact O-N 2.91Å; L60-W63 PolarHBondContact O-N 3.16Å; L60-K64 PolarHBondContact O-N 3.42Å |
| 61 | Q | 55.8 | Low | 53.6 | Low | 156 Ų | 156 | 119.2 Ų | 119.2 | 73% | 0.729 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.4 | -32.1 | 173.3 | -65.8 | -173.1 | -11.8 | 0 | 0 | 114.8 | S59 | S59-Q61 PolarHBondContact O-N 3.38Å |
| 62 | N | 55.7 | Low | 55.2 | Low | 97 Ų | 97 | 114.2 Ų | 114.2 | 52% | 0.519 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -80.3 | -28.1 | 176.3 | -65.2 | -37.3 | 0 | 0 | 0 | 111.8 | S59 L60 R65 G66 | S59-N62 WeakPolarHBondContact O-CB 3.45Å; S59-N62 PolarHBondContact O-N 3.19Å; L60-N62 PolarHBondContact O-N 2.91Å; N62-R65 PolarHBondContact O-N 3.04Å; N62-G66 PolarHBondContact O-N 3.08Å |
| 63 | W | 49.8 | Very low | 56.8 | Low | 111 Ų | 111 | 115.3 Ų | 115.3 | 42% | 0.42 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.1 | -45.1 | 174.3 | -173.5 | -90.9 | 0 | 0 | 0 | 111.7 | S59 L60 R65 G66 L67 | S59-W63 PolarHBondContact O-N 3.06Å; L60-W63 PolarHBondContact O-N 3.16Å; W63-R65 VanDerWaalsContact C-N 3.31Å; W63-R65 PolarHBondContact O-N 3.44Å; W63-G66 PolarHBondContact O-N 2.91Å; W63-G66 VanDerWaalsContact O-N 3.1Å; W63-L67 VanDerWaalsContact CD1-CD1 3.45Å; W63-L67 VanDerWaalsContact NE1-CD1 3.32Å; W63-L67 PolarHBondContact O-N 3.37Å |
| 64 | K | 57.1 | Low | 57.8 | Low | 140 Ų | 140 | 110.8 Ų | 110.8 | 61% | 0.609 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -58.7 | -40.7 | 173.4 | -89.1 | -172.9 | 174 | -114.6 | 0 | 112.8 | L60 G66 L67 D68 | L60-K64 PolarHBondContact O-N 3.42Å; K64-G66 PolarHBondContact O-N 3.07Å; K64-L67 PolarHBondContact O-N 3.4Å; K64-D68 PolarHBondContact O-N 2.96Å |
| 65 | R | 59.8 | Low | 59.3 | Low | 180 Ų | 180 | 108 Ų | 108 | 68% | 0.679 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -64 | -30.8 | 177.7 | -167.6 | -179.2 | -64.1 | -149.7 | 0.1 | 112.4 | N62 W63 I69 | N62-R65 PolarHBondContact O-N 3.04Å; W63-R65 VanDerWaalsContact C-N 3.31Å; W63-R65 PolarHBondContact O-N 3.44Å; R65-I69 WeakPolarHBondContact O-CD1 3.4Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å |
| 66 | G | 58.3 | Low | 60.2 | Low | 36 Ų | 36 | 105.9 Ų | 105.9 | 37% | 0.371 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -74.1 | -42.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N62 W63 K64 D68 I69 | N62-G66 PolarHBondContact O-N 3.08Å; W63-G66 PolarHBondContact O-N 2.91Å; W63-G66 VanDerWaalsContact O-N 3.1Å; K64-G66 PolarHBondContact O-N 3.07Å; G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.15Å; G66-I69 WeakPolarHBondContact O-CB 3.46Å; G66-I69 PolarHBondContact O-N 3.25Å; G66-I69 VanDerWaalsContact O-N 3.17Å |
| 67 | L | 55.7 | Low | 60.5 | Low | 49 Ų | 49 | 105.1 Ų | 105.1 | 26% | 0.257 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -33.1 | 176.9 | -80.2 | 165 | 0 | 0 | 0 | 112.8 | W63 K64 I69 L70 R75 | W63-L67 VanDerWaalsContact CD1-CD1 3.45Å; W63-L67 VanDerWaalsContact NE1-CD1 3.32Å; W63-L67 PolarHBondContact O-N 3.37Å; K64-L67 PolarHBondContact O-N 3.4Å; L67-I69 PolarHBondContact O-N 3.48Å; L67-L70 HydrophobicContact CD2-CD1 4.33Å; L67-L70 PolarHBondContact O-N 3.5Å; L67-R75 HydrophobicContact CD2-CG 4.21Å; L67-R75 WeakPolarHBondContact O-CD 3.16Å; L67-R75 VanDerWaalsContact O-CG 3.32Å; L67-R75 WeakPolarHBondContact O-CG 3.43Å; L67-R75 PolarHBondContact O-NE 2.91Å; L67-R75 VanDerWaalsContact O-NE 3.07Å |
| 68 | D | 59.9 | Low | 61.2 | Low | 111 Ų | 111 | 103.3 Ų | 103.3 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -18.7 | 175.4 | -77.7 | -29.6 | 0 | 0 | 0 | 113.5 | K64 G66 R75 | K64-D68 PolarHBondContact O-N 2.96Å; G66-D68 VanDerWaalsContact C-N 3.32Å; G66-D68 PolarHBondContact O-N 3.15Å; D68-R75 PolarHBondContact O-NH2 3.29Å; D68-R75 IonicContact OD1-NH1 3.77Å |
| 69 | I | 67.6 | Low | 62 | Low | 140 Ų | 140 | 106.3 Ų | 106.3 | 72% | 0.718 | 52% | 0.522 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.4 | -27.7 | 176.8 | -62.7 | 163.9 | 0 | 0 | 0 | 111.2 | R65 G66 L67 | R65-I69 WeakPolarHBondContact O-CD1 3.4Å; R65-I69 WeakPolarHBondContact O-CG1 3.42Å; G66-I69 WeakPolarHBondContact O-CB 3.46Å; G66-I69 PolarHBondContact O-N 3.25Å; G66-I69 VanDerWaalsContact O-N 3.17Å; L67-I69 PolarHBondContact O-N 3.48Å |
| 70 | L | 70.1 | Confident | 62.2 | Low | 74 Ų | 74 | 110.6 Ų | 110.6 | 39% | 0.387 | 53% | 0.531 | S | S | . | . | S | Bend | trans | -73.1 | 144.3 | 179.2 | -67.9 | 178.3 | 0 | 0 | 0 | 110.9 | L67 E74 R75 | L67-L70 HydrophobicContact CD2-CD1 4.33Å; L67-L70 PolarHBondContact O-N 3.5Å; L70-E74 HydrophobicContact CB-CB 4.22Å; L70-E74 HydrophobicContact CD2-CB 4.49Å; L70-R75 HydrophobicContact CB-CG 3.62Å; L70-R75 VanDerWaalsContact O-CZ 3.29Å; L70-R75 PolarHBondContact O-NE 3.08Å; L70-R75 PolarHBondContact O-NH2 3.09Å |
| 71 | S | 70.8 | Confident | 62.3 | Low | 55 Ų | 55 | 110.3 Ų | 110.3 | 39% | 0.385 | 53% | 0.53 | S | S | . | . | trans | -57.8 | 142.8 | 170.6 | 175.1 | 0 | 0 | 0 | 0 | 108.9 | M73 E74 R75 | S71-M73 PolarHBondContact O-N 3.08Å; S71-E74 WeakPolarHBondContact CB-OE2 3.47Å; S71-E74 PolarHBondContact N-OE2 2.92Å; S71-E74 WeakPolarHBondContact O-CB 3.49Å; S71-E74 PolarHBondContact O-N 2.82Å; S71-R75 PolarHBondContact O-N 3.03Å | ||
| 72 | P | 70.8 | Confident | 62.1 | Low | 78 Ų | 78 | 111.8 Ų | 111.8 | 51% | 0.506 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -49.4 | -31.5 | 175.1 | -29.1 | 35.8 | 0 | 0 | 0 | 113.8 | F76 | P72-F76 WeakPolarHBondContact O-CD2 3.5Å; P72-F76 PolarHBondContact O-N 2.83Å |
| 73 | M | 65.8 | Low | 61.9 | Low | 89 Ų | 89 | 112.4 Ų | 112.4 | 44% | 0.438 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -41.5 | 173.6 | -86.2 | -175.2 | 63.6 | 0 | 0 | 113.5 | S71 H77 L78 | S71-M73 PolarHBondContact O-N 3.08Å; M73-H77 PolarHBondContact O-N 2.92Å; M73-L78 PolarHBondContact O-N 3.14Å |
| 74 | E | 70.3 | Confident | 62 | Low | 111 Ų | 111 | 110 Ų | 110 | 52% | 0.519 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -74.5 | -39.6 | -178.2 | -65.2 | 165.8 | 158.9 | 0 | 0 | 110.5 | L70 S71 F76 H77 | L70-E74 HydrophobicContact CB-CB 4.22Å; L70-E74 HydrophobicContact CD2-CB 4.49Å; S71-E74 WeakPolarHBondContact CB-OE2 3.47Å; S71-E74 PolarHBondContact N-OE2 2.92Å; S71-E74 WeakPolarHBondContact O-CB 3.49Å; S71-E74 PolarHBondContact O-N 2.82Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 2.87Å; E74-H77 PolarHBondContact O-N 2.86Å |
| 75 | R | 69.6 | Low | 62 | Low | 78 Ų | 78 | 106.6 Ų | 106.6 | 29% | 0.294 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -57.1 | -44.6 | 177.9 | -73 | -175.4 | -123.4 | -163.3 | -7.4 | 113.2 | L67 D68 L70 S71 | L67-R75 HydrophobicContact CD2-CG 4.21Å; L67-R75 WeakPolarHBondContact O-CD 3.16Å; L67-R75 VanDerWaalsContact O-CG 3.32Å; L67-R75 WeakPolarHBondContact O-CG 3.43Å; L67-R75 PolarHBondContact O-NE 2.91Å; L67-R75 VanDerWaalsContact O-NE 3.07Å; D68-R75 PolarHBondContact O-NH2 3.29Å; D68-R75 IonicContact OD1-NH1 3.77Å; L70-R75 HydrophobicContact CB-CG 3.62Å; L70-R75 VanDerWaalsContact O-CZ 3.29Å; L70-R75 PolarHBondContact O-NE 3.08Å; L70-R75 PolarHBondContact O-NH2 3.09Å; S71-R75 PolarHBondContact O-N 3.03Å |
| 76 | F | 68.3 | Low | 62 | Low | 128 Ų | 128 | 103.5 Ų | 103.5 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.4 | 13 | -175.3 | -68.2 | -71.2 | 0 | 0 | 0 | 112.4 | P72 E74 L78 | P72-F76 WeakPolarHBondContact O-CD2 3.5Å; P72-F76 PolarHBondContact O-N 2.83Å; E74-F76 VanDerWaalsContact C-N 3.33Å; E74-F76 PolarHBondContact O-N 2.87Å; F76-L78 HydrophobicContact CB-CB 4.49Å; F76-L78 HydrophobicContact CB-CD1 3.65Å; F76-L78 HydrophobicContact CB-CG 3.57Å; F76-L78 HydrophobicContact CD2-CD1 4.48Å; F76-L78 HydrophobicContact CG-CD1 4.39Å; F76-L78 PolarHBondContact O-N 3.45Å |
| 77 | H | 64.4 | Low | 62.2 | Low | 140 Ų | 140 | 105.1 Ų | 105.1 | 65% | 0.648 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 43.7 | 34.1 | -173.4 | -71.3 | 92.9 | 0 | 0 | 0 | 112.9 | D33 M73 E74 K79 | D33-H77 IonicContact OD1-CE1 3.5Å; M73-H77 PolarHBondContact O-N 2.92Å; E74-H77 PolarHBondContact O-N 2.86Å; H77-K79 PolarHBondContact O-N 3.18Å |
| 78 | L | 62.6 | Low | 62.6 | Low | 80 Ų | 80 | 106.7 Ų | 106.7 | 42% | 0.419 | 54% | 0.541 | S | S | . | . | trans | -73.8 | 106.1 | -171.2 | -82 | 170.1 | 0 | 0 | 0 | 108.2 | M73 F76 Y80 | M73-L78 PolarHBondContact O-N 3.14Å; F76-L78 HydrophobicContact CB-CB 4.49Å; F76-L78 HydrophobicContact CB-CD1 3.65Å; F76-L78 HydrophobicContact CB-CG 3.57Å; F76-L78 HydrophobicContact CD2-CD1 4.48Å; F76-L78 HydrophobicContact CG-CD1 4.39Å; F76-L78 PolarHBondContact O-N 3.45Å; L78-Y80 PolarHBondContact O-N 3.44Å | ||
| 79 | K | 62.7 | Low | 62.8 | Low | 191 Ų | 191 | 105.6 Ų | 105.6 | 83% | 0.83 | 53% | 0.532 | S | S | * | . | trans | -69 | 36.7 | 166.9 | -64.9 | 176.6 | 179.7 | 168.4 | 0 | 111.7 | H77 L81 Y82 | H77-K79 PolarHBondContact O-N 3.18Å; K79-L81 PolarHBondContact O-N 3.13Å; K79-L81 VanDerWaalsContact O-N 3.08Å; K79-Y82 PolarHBondContact O-N 3.29Å | ||
| 80 | Y | 57.8 | Low | 62.8 | Low | 144 Ų | 144 | 104.1 Ų | 104.1 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -7.5 | -160.3 | -158.6 | -100.6 | 0 | 0 | 0 | 114.5 | L78 Y82 T84 | L78-Y80 PolarHBondContact O-N 3.44Å; Y80-Y82 PolarHBondContact O-N 3.1Å; Y80-T84 HydrophobicContact CD1-CG2 4.01Å; Y80-T84 HydrophobicContact CE1-CG2 3.39Å; Y80-T84 PolarHBondContact O-OG1 3.45Å |
| 81 | L | 54.8 | Low | 63 | Low | 129 Ų | 129 | 108.7 Ų | 108.7 | 68% | 0.675 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77 | -19.9 | -179.8 | -124.3 | 81.4 | 0 | 0 | 0 | 114.2 | K79 D85 | K79-L81 PolarHBondContact O-N 3.13Å; K79-L81 VanDerWaalsContact O-N 3.08Å; L81-D85 WeakPolarHBondContact O-CB 3.5Å |
| 82 | Y | 51.6 | Low | 62.9 | Low | 187 Ų | 187 | 109.7 Ų | 109.7 | 73% | 0.733 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -88.6 | -31.7 | -171.9 | -137.3 | -90.2 | 0 | 0 | 0 | 113.6 | K79 Y80 L86 | K79-Y82 PolarHBondContact O-N 3.29Å; Y80-Y82 PolarHBondContact O-N 3.1Å; Y82-L86 PolarHBondContact O-N 3.32Å |
| 83 | V | 51.5 | Low | 63.1 | Low | 110 Ų | 110 | 112.4 Ų | 112.4 | 67% | 0.667 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -79.4 | -37.5 | -177 | -178.9 | 0 | 0 | 0 | 0 | 111.2 | D85 A87 | V83-D85 VanDerWaalsContact C-N 3.33Å; V83-A87 PolarHBondContact O-N 3.06Å |
| 84 | T | 53.3 | Low | 63.7 | Low | 61 Ų | 61 | 112.2 Ų | 112.2 | 37% | 0.374 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67.7 | -34.9 | 174.6 | 48.9 | 0 | 0 | 0 | 0 | 112.1 | Y80 T88 | Y80-T84 HydrophobicContact CD1-CG2 4.01Å; Y80-T84 HydrophobicContact CE1-CG2 3.39Å; Y80-T84 PolarHBondContact O-OG1 3.45Å; T84-T88 PolarHBondContact O-N 3.44Å; T84-T88 PolarHBondContact O-OG1 3.32Å |
| 85 | D | 57.2 | Low | 64 | Low | 68 Ų | 68 | 113 Ų | 113 | 36% | 0.364 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.9 | -43.2 | 178.6 | -170.5 | 25.8 | 0 | 0 | 0 | 111.6 | L81 V83 A87 T88 Q89 | L81-D85 WeakPolarHBondContact O-CB 3.5Å; V83-D85 VanDerWaalsContact C-N 3.33Å; D85-A87 PolarHBondContact O-N 3.27Å; D85-T88 WeakPolarHBondContact CA-OG1 3.41Å; D85-T88 PolarHBondContact O-N 2.9Å; D85-T88 PolarHBondContact O-OG1 3.23Å; D85-Q89 WeakPolarHBondContact O-CB 3.41Å; D85-Q89 VanDerWaalsContact O-CG 3.25Å; D85-Q89 WeakPolarHBondContact O-CG 3.25Å; D85-Q89 PolarHBondContact O-N 3.22Å; D85-Q89 PolarHBondContact OD1-NE2 2.82Å; D85-Q89 PolarHBondContact OD2-NE2 3.01Å |
| 86 | L | 59.5 | Low | 64.2 | Low | 114 Ų | 114 | 115 Ų | 115 | 60% | 0.597 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65 | -39.7 | -177.9 | -162.7 | 71.6 | 0 | 0 | 0 | 113.2 | Y82 N90 | Y82-L86 PolarHBondContact O-N 3.32Å; L86-N90 PolarHBondContact O-N 3.42Å; L86-N90 VanDerWaalsContact O-N 3.16Å |
| 87 | A | 62.2 | Low | 64.4 | Low | 70 Ų | 70 | 112.4 Ų | 112.4 | 58% | 0.579 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.1 | -39.4 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112 | V83 D85 W91 | V83-A87 PolarHBondContact O-N 3.06Å; D85-A87 PolarHBondContact O-N 3.27Å; A87-W91 PolarHBondContact O-N 2.87Å |
| 88 | T | 63.1 | Low | 64.9 | Low | 82 Ų | 82 | 114.7 Ų | 114.7 | 50% | 0.503 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -67.8 | -36.7 | 174.2 | 40 | 0 | 0 | 0 | 0 | 112.8 | T84 D85 W91 C92 | T84-T88 PolarHBondContact O-N 3.44Å; T84-T88 PolarHBondContact O-OG1 3.32Å; D85-T88 WeakPolarHBondContact CA-OG1 3.41Å; D85-T88 PolarHBondContact O-N 2.9Å; D85-T88 PolarHBondContact O-OG1 3.23Å; T88-W91 PolarHBondContact O-N 2.83Å; T88-C92 WeakPolarHBondContact O-CB 3.25Å; T88-C92 PolarHBondContact O-N 3.38Å; T88-C92 PolarHBondContact O-SG 3.39Å; T88-C92 VanDerWaalsContact O-SG 3.32Å |
| 89 | Q | 65.3 | Low | 65.2 | Low | 89 Ų | 89 | 113.1 Ų | 113.1 | 42% | 0.416 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -62.5 | -46.5 | 176.3 | -77.3 | 173.5 | 9.9 | 0 | 0 | 111.6 | D85 W91 C92 E93 | D85-Q89 WeakPolarHBondContact O-CB 3.41Å; D85-Q89 VanDerWaalsContact O-CG 3.25Å; D85-Q89 WeakPolarHBondContact O-CG 3.25Å; D85-Q89 PolarHBondContact O-N 3.22Å; D85-Q89 PolarHBondContact OD1-NE2 2.82Å; D85-Q89 PolarHBondContact OD2-NE2 3.01Å; Q89-W91 VanDerWaalsContact C-N 3.35Å; Q89-W91 PolarHBondContact O-N 3.49Å; Q89-C92 PolarHBondContact O-N 2.91Å; Q89-E93 PolarHBondContact O-N 2.96Å |
| 90 | N | 67.6 | Low | 65.1 | Low | 108 Ų | 108 | 117.4 Ų | 117.4 | 58% | 0.578 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -63.7 | -38.9 | 179.6 | -165.7 | 7.1 | 0 | 0 | 0 | 112.4 | L86 E93 L94 | L86-N90 PolarHBondContact O-N 3.42Å; L86-N90 VanDerWaalsContact O-N 3.16Å; N90-E93 PolarHBondContact O-N 2.97Å; N90-L94 WeakPolarHBondContact O-CB 3.46Å; N90-L94 PolarHBondContact O-N 3.35Å |
| 91 | W | 73.5 | Confident | 65.5 | Low | 170 Ų | 170 | 116.1 Ų | 116.1 | 64% | 0.644 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -65.3 | -43.2 | 175.6 | -172.2 | -91.4 | 0 | 0 | 0 | 112.4 | A87 T88 Q89 L94 Q95 | A87-W91 PolarHBondContact O-N 2.87Å; T88-W91 PolarHBondContact O-N 2.83Å; Q89-W91 VanDerWaalsContact C-N 3.35Å; Q89-W91 PolarHBondContact O-N 3.49Å; W91-L94 PolarHBondContact O-N 3.01Å; W91-Q95 WeakPolarHBondContact O-CB 3.43Å; W91-Q95 PolarHBondContact O-N 2.98Å |
| 92 | C | 70.1 | Confident | 66 | Low | 77 Ų | 77 | 115.4 Ų | 115.4 | 52% | 0.52 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -63.2 | -40.2 | 176.7 | -73.6 | 0 | 0 | 0 | 0 | 112.5 | T88 Q89 Q95 T96 | T88-C92 WeakPolarHBondContact O-CB 3.25Å; T88-C92 PolarHBondContact O-N 3.38Å; T88-C92 PolarHBondContact O-SG 3.39Å; T88-C92 VanDerWaalsContact O-SG 3.32Å; Q89-C92 PolarHBondContact O-N 2.91Å; C92-Q95 PolarHBondContact O-N 3.41Å; C92-T96 WeakPolarHBondContact O-CB 3.46Å; C92-T96 PolarHBondContact O-N 2.89Å; C92-T96 PolarHBondContact O-OG1 3.18Å |
| 93 | E | 75.1 | Confident | 66.8 | Low | 135 Ų | 135 | 111.4 Ų | 111.4 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -63.5 | -45.8 | 174.5 | -76.1 | -175.8 | 177.4 | 0 | 0 | 111.7 | Q89 N90 Q95 T96 A97 | Q89-E93 PolarHBondContact O-N 2.96Å; N90-E93 PolarHBondContact O-N 2.97Å; E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 3.41Å; E93-T96 PolarHBondContact O-N 3.16Å; E93-A97 WeakPolarHBondContact O-CB 3.22Å; E93-A97 PolarHBondContact O-N 3.39Å |
| 94 | L | 78.1 | Confident | 67.7 | Low | 85 Ų | 85 | 111.5 Ų | 111.5 | 45% | 0.445 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.1 | -40.8 | 177.9 | -169.8 | 71.7 | 0 | 0 | 0 | 111.6 | N90 W91 T96 A97 Y98 | N90-L94 WeakPolarHBondContact O-CB 3.46Å; N90-L94 PolarHBondContact O-N 3.35Å; W91-L94 PolarHBondContact O-N 3.01Å; L94-T96 VanDerWaalsContact C-N 3.35Å; L94-A97 PolarHBondContact O-N 3.47Å; L94-Y98 HydrophobicContact CD1-CD2 3.48Å; L94-Y98 VanDerWaalsContact CD1-CD2 3.48Å; L94-Y98 HydrophobicContact CD1-CE2 3.62Å; L94-Y98 HydrophobicContact CG-CD2 4.17Å; L94-Y98 WeakPolarHBondContact O-CB 3.42Å; L94-Y98 WeakPolarHBondContact O-CD2 3.47Å; L94-Y98 PolarHBondContact O-N 3.47Å |
| 95 | Q | 75.4 | Confident | 68.6 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 59% | 0.589 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -70.3 | -30.8 | 178 | -170.9 | 158 | -26.6 | 0 | 0 | 112.8 | W91 C92 E93 G99 | W91-Q95 WeakPolarHBondContact O-CB 3.43Å; W91-Q95 PolarHBondContact O-N 2.98Å; C92-Q95 PolarHBondContact O-N 3.41Å; E93-Q95 VanDerWaalsContact C-N 3.31Å; E93-Q95 PolarHBondContact O-N 3.41Å; Q95-G99 VanDerWaalsContact O-CA 3.22Å; Q95-G99 WeakPolarHBondContact O-CA 3.37Å; Q95-G99 PolarHBondContact O-N 3.04Å |
| 96 | T | 74.2 | Confident | 69.4 | Low | 121 Ų | 121 | 117.8 Ų | 117.8 | 74% | 0.742 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -73.9 | -37.3 | 174 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | C92 E93 L94 | C92-T96 WeakPolarHBondContact O-CB 3.46Å; C92-T96 PolarHBondContact O-N 2.89Å; C92-T96 PolarHBondContact O-OG1 3.18Å; E93-T96 PolarHBondContact O-N 3.16Å; L94-T96 VanDerWaalsContact C-N 3.35Å |
| 97 | A | 72.1 | Confident | 70.1 | Confident | 73 Ų | 73 | 118.1 Ų | 118.1 | 60% | 0.603 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -78.2 | -31.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | E93 L94 | E93-A97 WeakPolarHBondContact O-CB 3.22Å; E93-A97 PolarHBondContact O-N 3.39Å; L94-A97 PolarHBondContact O-N 3.47Å |
| 98 | Y | 74.7 | Confident | 70.7 | Confident | 188 Ų | 188 | 121.8 Ų | 121.8 | 74% | 0.737 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -122 | -3 | -173.3 | -62.9 | -84.6 | 0 | 0 | 0 | 114.5 | L94 K100 | L94-Y98 HydrophobicContact CD1-CD2 3.48Å; L94-Y98 VanDerWaalsContact CD1-CD2 3.48Å; L94-Y98 HydrophobicContact CD1-CE2 3.62Å; L94-Y98 HydrophobicContact CG-CD2 4.17Å; L94-Y98 WeakPolarHBondContact O-CB 3.42Å; L94-Y98 WeakPolarHBondContact O-CD2 3.47Å; L94-Y98 PolarHBondContact O-N 3.47Å; Y98-K100 PolarHBondContact O-N 3.15Å |
| 99 | G | 69.9 | Low | 71.4 | Confident | 48 Ų | 48 | 125.1 Ų | 125.1 | 50% | 0.495 | 64% | 0.635 | S | S | . | * | trans | -72.8 | 116.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | Q95 | Q95-G99 VanDerWaalsContact O-CA 3.22Å; Q95-G99 WeakPolarHBondContact O-CA 3.37Å; Q95-G99 PolarHBondContact O-N 3.04Å | ||
| 100 | K | 60.2 | Low | 71.9 | Confident | 281 Ų | 281 | 128.4 Ų | 128.4 | 100% | 1.222 | 66% | 0.655 | S | S | * | * | trans | -74.8 | 0 | 171.3 | -81.4 | -178.7 | 174.8 | 178.4 | 0 | 111.9 | Y98 | Y98-K100 PolarHBondContact O-N 3.15Š|
Retrieved 100 of 100 residues in 23.2 ms
(Link to these results)