| 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 | 47.7 | Very low | 48 | Very low | 247 Ų | 247 | 158.5 Ų | 158.5 | 100% | 1.217 | 85% | 0.854 | S | S | * | * | 0 | 122.8 | 0 | -76.3 | 174.4 | 77.3 | 0 | 0 | 107.9 | |||||
| 2 | Q | 46.2 | Very low | 47.9 | Very low | 200 Ų | 200 | 161.3 Ų | 161.3 | 94% | 0.935 | 85% | 0.852 | S | S | * | * | trans | -64.7 | 145.7 | -174.3 | -76.5 | 146.5 | -29.1 | 0 | 0 | 111.8 | ||||
| 3 | G | 43.8 | Very low | 48.1 | Very low | 73 Ų | 73 | 159.8 Ų | 159.8 | 75% | 0.753 | 85% | 0.854 | S | S | * | * | trans | -75.1 | 161.7 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 4 | M | 48.5 | Very low | 48 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 92% | 0.921 | 85% | 0.85 | S | S | * | * | trans | -122.4 | 95.3 | 163.8 | -73.4 | -145 | -122 | 0 | 0 | 108.9 | ||||
| 5 | T | 55.2 | Low | 48.1 | Very low | 138 Ų | 138 | 162.7 Ų | 162.7 | 85% | 0.847 | 85% | 0.854 | S | S | * | * | trans | -94.3 | 107.8 | 168.7 | -48.6 | 0 | 0 | 0 | 0 | 107.6 | Q7 | T5-Q7 PolarHBondContact O-N 2.72Š| ||
| 6 | T | 51.9 | Low | 48.1 | Very low | 109 Ų | 109 | 160.5 Ų | 160.5 | 67% | 0.669 | 85% | 0.849 | S | S | * | * | trans | -81.3 | 108.9 | 176.8 | 54.7 | 0 | 0 | 0 | 0 | 110.1 | F8 | T6-F8 PolarHBondContact O-N 2.94Š| ||
| 7 | Q | 40.9 | Very low | 48.1 | Very low | 172 Ų | 172 | 160.9 Ų | 160.9 | 80% | 0.804 | 84% | 0.842 | S | S | * | * | trans | -62.3 | 112 | 171.8 | -79.4 | -103.7 | 14.1 | 0 | 0 | 111.4 | T5 K9 | T5-Q7 PolarHBondContact O-N 2.72Å; Q7-K9 PolarHBondContact O-N 3.44Å | ||
| 8 | F | 45.5 | Very low | 47.8 | Very low | 191 Ų | 191 | 160.8 Ų | 160.8 | 84% | 0.838 | 83% | 0.833 | S | S | * | * | trans | -81.2 | 102.9 | 165 | -84.4 | -87 | 0 | 0 | 0 | 109.2 | T6 A10 | T6-F8 PolarHBondContact O-N 2.94Å; F8-A10 PolarHBondContact O-N 3.38Å | ||
| 9 | K | 49.2 | Very low | 47.5 | Very low | 177 Ų | 177 | 159.3 Ų | 159.3 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -69.1 | 118 | 170.9 | -76.1 | -178.7 | 176.7 | 176.4 | 0 | 109.8 | Q7 N11 | Q7-K9 PolarHBondContact O-N 3.44Å; K9-N11 PolarHBondContact O-N 3.29Å | ||
| 10 | A | 54.1 | Low | 47.5 | Very low | 103 Ų | 103 | 157.8 Ų | 157.8 | 85% | 0.851 | 82% | 0.82 | S | S | * | * | trans | -66 | 116.1 | 167.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | F8 | F8-A10 PolarHBondContact O-N 3.38Š| ||
| 11 | N | 44.5 | Very low | 47.3 | Very low | 147 Ų | 147 | 153.6 Ų | 153.6 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | trans | -100 | 110.5 | 177.5 | -72.1 | -34.3 | 0 | 0 | 0 | 110.6 | K9 | K9-N11 PolarHBondContact O-N 3.29Š| ||
| 12 | K | 47.5 | Very low | 47.4 | Very low | 191 Ų | 191 | 148.4 Ų | 148.4 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | trans | 28.6 | 113 | 150.5 | -71.9 | 177.2 | 178.9 | 179.5 | 0 | 118.4 | L14 | K12-L14 PolarHBondContact O-N 3.41Š| ||
| 13 | T | 49.7 | Very low | 47.3 | Very low | 143 Ų | 143 | 146 Ų | 146 | 88% | 0.877 | 78% | 0.782 | S | S | * | * | trans | -55.3 | 98.7 | 161.3 | -40.1 | 0 | 0 | 0 | 0 | 111.2 | K15 | T13-K15 PolarHBondContact O-N 3.06Š| ||
| 14 | L | 47.2 | Very low | 47.5 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 80% | 0.801 | 77% | 0.768 | S | S | * | * | trans | -78.6 | 108.6 | 164.6 | -70.8 | 168.3 | 0 | 0 | 0 | 107.9 | K12 V16 | K12-L14 PolarHBondContact O-N 3.41Å; L14-V16 VanDerWaalsContact C-N 3.32Å; L14-V16 PolarHBondContact O-N 2.67Å | ||
| 15 | K | 49.6 | Very low | 47.8 | Very low | 209 Ų | 209 | 140.4 Ų | 140.4 | 91% | 0.909 | 75% | 0.751 | S | S | * | * | trans | -64.5 | 94.2 | 165.5 | -87.4 | -179.3 | 172.8 | 176.8 | 0 | 108.2 | T13 K17 | T13-K15 PolarHBondContact O-N 3.06Å; K15-K17 PolarHBondContact O-N 3.23Å | ||
| 16 | V | 47.9 | Very low | 48.5 | Very low | 128 Ų | 128 | 139 Ų | 139 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | trans | -75.9 | 117.3 | 166.6 | 175.4 | 0 | 0 | 0 | 0 | 107.4 | L14 K18 | L14-V16 VanDerWaalsContact C-N 3.32Å; L14-V16 PolarHBondContact O-N 2.67Å; V16-K18 PolarHBondContact O-N 2.73Å; V16-K18 VanDerWaalsContact O-N 3.1Å | ||
| 17 | K | 47.6 | Very low | 50 | Low | 168 Ų | 168 | 134.7 Ų | 134.7 | 73% | 0.73 | 73% | 0.726 | S | S | * | * | trans | -54.1 | 110.3 | 170.5 | -168 | -177.9 | -174.4 | -140.4 | 0 | 108.1 | K15 E19 | K15-K17 PolarHBondContact O-N 3.23Å; K17-E19 VanDerWaalsContact C-N 3.33Å; K17-E19 WeakPolarHBondContact CD-OE1 3.1Å; K17-E19 WeakPolarHBondContact CE-OE1 3.39Å; K17-E19 IonicContact NZ-OE1 2.82Å; K17-E19 PolarHBondContact NZ-OE1 2.95Å; K17-E19 PolarHBondContact O-N 2.99Å | ||
| 18 | K | 43.8 | Very low | 52.5 | Low | 158 Ų | 158 | 128.7 Ų | 128.7 | 69% | 0.687 | 70% | 0.703 | S | S | * | * | trans | -72.6 | 89.4 | 177.2 | -172 | -179 | 179.9 | -171.7 | 0 | 107.7 | V16 E22 | V16-K18 PolarHBondContact O-N 2.73Å; V16-K18 VanDerWaalsContact O-N 3.1Å; K18-E22 IonicContact NZ-OE1 2.66Å; K18-E22 PolarHBondContact NZ-OE1 3.26Å | ||
| 19 | E | 41.1 | Very low | 54.8 | Low | 132 Ų | 132 | 122.5 Ų | 122.5 | 62% | 0.617 | 68% | 0.678 | S | S | * | * | trans | -74.3 | 125.1 | 163.1 | -64.5 | -63.8 | 163.1 | 0 | 0 | 107.9 | K17 G21 | K17-E19 VanDerWaalsContact C-N 3.33Å; K17-E19 WeakPolarHBondContact CD-OE1 3.1Å; K17-E19 WeakPolarHBondContact CE-OE1 3.39Å; K17-E19 IonicContact NZ-OE1 2.82Å; K17-E19 PolarHBondContact NZ-OE1 2.95Å; K17-E19 PolarHBondContact O-N 2.99Å; E19-G21 PolarHBondContact O-N 3.1Å | ||
| 20 | V | 48.5 | Very low | 57 | Low | 130 Ų | 130 | 120.3 Ų | 120.3 | 79% | 0.788 | 68% | 0.675 | S | S | * | * | trans | -65.9 | 112.1 | -176.2 | 169.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 21 | G | 42.5 | Very low | 58.9 | Low | 70 Ų | 70 | 120.7 Ų | 120.7 | 72% | 0.722 | 66% | 0.66 | S | S | * | * | trans | -152 | 45 | 173.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | E19 N23 | E19-G21 PolarHBondContact O-N 3.1Å; G21-N23 PolarHBondContact O-N 3.03Å | ||
| 22 | E | 49.7 | Very low | 61.4 | Low | 138 Ų | 138 | 113.7 Ų | 113.7 | 65% | 0.645 | 62% | 0.622 | S | S | * | * | trans | -71.7 | 89 | 174 | -85.1 | 169.9 | -179.6 | 0 | 0 | 109.1 | K18 | K18-E22 IonicContact NZ-OE1 2.66Å; K18-E22 PolarHBondContact NZ-OE1 3.26Å | ||
| 23 | N | 43.7 | Very low | 63.7 | Low | 150 Ų | 150 | 107 Ų | 107 | 80% | 0.802 | 60% | 0.597 | S | S | * | * | trans | -161.5 | 39.6 | 156 | -89.9 | -47.9 | 0 | 0 | 0 | 111.6 | G21 L47 | G21-N23 PolarHBondContact O-N 3.03Å; N23-L47 WeakPolarHBondContact O-CD2 3.49Å | ||
| 24 | A | 48 | Very low | 65.9 | Low | 55 Ų | 55 | 106.1 Ų | 106.1 | 46% | 0.455 | 59% | 0.591 | S | S | . | * | S | Bend | trans | -119.2 | 120.6 | 149.7 | 0 | 0 | 0 | 0 | 0 | 105.3 | A26 L47 | A24-A26 PolarHBondContact O-N 3.39Å; A24-L47 HydrophobicContact CB-CD2 4.37Å |
| 25 | P | 55.2 | Low | 68.3 | Low | 86 Ų | 86 | 99.9 Ų | 99.9 | 56% | 0.558 | 56% | 0.558 | S | S | * | * | trans | -51.1 | 142.4 | 169.4 | -13.3 | 25.3 | 0 | 0 | 0 | 106.7 | L27 | P25-L27 HydrophobicContact CB-CG 4.44Å; P25-L27 PolarHBondContact O-N 3.33Å | ||
| 26 | A | 70.3 | Confident | 70.5 | Confident | 109 Ų | 109 | 92.3 Ų | 92.3 | 90% | 0.901 | 53% | 0.531 | S | S | * | . | trans | -65.6 | 73.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | A24 S28 | A24-A26 PolarHBondContact O-N 3.39Å; A26-S28 PolarHBondContact O-N 3.43Å | ||
| 27 | L | 83.3 | Confident | 72.8 | Confident | 19 Ų | 19 | 90.8 Ų | 90.8 | 10% | 0.099 | 52% | 0.522 | C | S | . | . | trans | -64.1 | 117.8 | -179.7 | -75.2 | 166.6 | 0 | 0 | 0 | 107.4 | P25 M35 H43 L55 R58 | P25-L27 HydrophobicContact CB-CG 4.44Å; P25-L27 PolarHBondContact O-N 3.33Å; L27-M35 HydrophobicContact CD2-SD 4.43Å; L27-H43 HydrophobicContact CD1-CB 4.48Å; L27-L55 HydrophobicContact CD1-CD1 4.33Å; L27-L55 HydrophobicContact CD1-CD2 3.81Å; L27-R58 PolarHBondContact O-NH1 3.17Å; L27-R58 PolarHBondContact O-NH2 3.13Å; L27-R58 VanDerWaalsContact O-NH2 3.1Å | ||
| 28 | S | 93.6 | Very high | 75.2 | Confident | 46 Ų | 46 | 92.8 Ų | 92.8 | 32% | 0.322 | 53% | 0.525 | S | S | . | . | trans | -64.3 | 153.8 | 177.6 | 67.1 | 0 | 0 | 0 | 0 | 110.6 | A26 D30 E31 L32 | A26-S28 PolarHBondContact O-N 3.43Å; S28-D30 PolarHBondContact O-N 2.9Å; S28-E31 VanDerWaalsContact OG-CB 3.28Å; S28-E31 WeakPolarHBondContact OG-CB 3.44Å; S28-E31 VanDerWaalsContact OG-CG 3.27Å; S28-E31 WeakPolarHBondContact OG-CG 3.37Å; S28-E31 PolarHBondContact OG-N 3.4Å; S28-E31 VanDerWaalsContact OG-N 3.16Å; S28-E31 PolarHBondContact OG-OE2 3.31Å; S28-L32 VanDerWaalsContact O-CB 3.24Å; S28-L32 WeakPolarHBondContact O-CB 3.34Å; S28-L32 PolarHBondContact O-N 3.42Å; S28-L32 VanDerWaalsContact O-N 3.09Å | ||
| 29 | D | 94.8 | Very high | 77.7 | Confident | 60 Ų | 60 | 90 Ų | 90 | 32% | 0.321 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -59.6 | -39.5 | 174.9 | -85.2 | -10.2 | 0 | 0 | 0 | 110.8 | L32 V33 R58 L62 | D29-L32 PolarHBondContact O-N 3.49Å; D29-V33 WeakPolarHBondContact O-CG2 3.39Å; D29-V33 PolarHBondContact O-N 3.47Å; D29-V33 VanDerWaalsContact O-N 3.12Å; D29-R58 IonicContact OD1-CZ 2.9Å; D29-R58 IonicContact OD1-NE 2.61Å; D29-R58 PolarHBondContact OD1-NE 3.06Å; D29-R58 IonicContact OD1-NH2 2.99Å; D29-R58 PolarHBondContact OD1-NH2 2.94Å; D29-L62 HydrophobicContact CB-CD1 3.8Å; D29-L62 HydrophobicContact CB-CD2 4.1Å; D29-L62 WeakPolarHBondContact OD1-CD1 3.15Å |
| 30 | D | 94.1 | Very high | 80.3 | Confident | 131 Ų | 131 | 84.2 Ų | 84.2 | 70% | 0.701 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -68 | -49.4 | -176.7 | -66 | -28.5 | 0 | 0 | 0 | 111.6 | S28 L32 V33 V34 | S28-D30 PolarHBondContact O-N 2.9Å; D30-L32 VanDerWaalsContact C-N 3.3Å; D30-L32 PolarHBondContact O-N 3.03Å; D30-V33 PolarHBondContact O-N 2.98Å; D30-V34 VanDerWaalsContact O-CG2 3.24Å; D30-V34 WeakPolarHBondContact O-CG2 3.42Å; D30-V34 PolarHBondContact O-N 3.38Å |
| 31 | E | 95.3 | Very high | 82.5 | Confident | 112 Ų | 112 | 81.5 Ų | 81.5 | 52% | 0.523 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -59.2 | -43.9 | 174.2 | -75.2 | 168.2 | 133.9 | 0 | 0 | 111.2 | S28 V33 V34 M35 | S28-E31 VanDerWaalsContact OG-CB 3.28Å; S28-E31 WeakPolarHBondContact OG-CB 3.44Å; S28-E31 VanDerWaalsContact OG-CG 3.27Å; S28-E31 WeakPolarHBondContact OG-CG 3.37Å; S28-E31 PolarHBondContact OG-N 3.4Å; S28-E31 VanDerWaalsContact OG-N 3.16Å; S28-E31 PolarHBondContact OG-OE2 3.31Å; E31-V33 PolarHBondContact O-N 3.2Å; E31-V34 PolarHBondContact O-N 3.41Å; E31-V34 VanDerWaalsContact O-N 3.15Å; E31-M35 WeakPolarHBondContact O-CB 3.45Å; E31-M35 WeakPolarHBondContact O-CG 3.31Å; E31-M35 PolarHBondContact O-N 2.89Å |
| 32 | L | 95.8 | Very high | 85 | Confident | 0 Ų | 0 | 82.1 Ų | 82.1 | 0% | 0 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -60.3 | -34.3 | -177.8 | -177.3 | 61.1 | 0 | 0 | 0 | 112.8 | S28 D29 D30 L40 L55 R58 R59 L62 | S28-L32 VanDerWaalsContact O-CB 3.24Å; S28-L32 WeakPolarHBondContact O-CB 3.34Å; S28-L32 PolarHBondContact O-N 3.42Å; S28-L32 VanDerWaalsContact O-N 3.09Å; D29-L32 PolarHBondContact O-N 3.49Å; D30-L32 VanDerWaalsContact C-N 3.3Å; D30-L32 PolarHBondContact O-N 3.03Å; L32-L40 HydrophobicContact CD1-CD1 3.85Å; L32-L55 HydrophobicContact CD1-CD1 4.03Å; L32-L55 HydrophobicContact CD1-CD2 4.35Å; L32-L55 HydrophobicContact CD1-CG 3.96Å; L32-L55 HydrophobicContact CD2-CD1 3.85Å; L32-L55 HydrophobicContact CD2-CG 4.42Å; L32-R58 HydrophobicContact CD2-CB 4.2Å; L32-R58 HydrophobicContact CD2-CG 3.85Å; L32-R59 HydrophobicContact CD1-CB 4.11Å; L32-R59 HydrophobicContact CD1-CG 4.37Å; L32-R59 HydrophobicContact CD2-CB 4.11Å; L32-R59 HydrophobicContact CG-CB 3.88Å; L32-R59 HydrophobicContact CG-CG 4.13Å; L32-R59 VanDerWaalsContact O-CD 3.29Å; L32-R59 WeakPolarHBondContact O-CD 3.5Å; L32-R59 WeakPolarHBondContact O-CG 3.29Å; L32-R59 PolarHBondContact O-NE 3.36Å; L32-L62 HydrophobicContact CD2-CD1 4.11Å |
| 33 | V | 96.5 | Very high | 87 | Confident | 50 Ų | 50 | 79.4 Ų | 79.4 | 30% | 0.303 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -70.9 | -47.5 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | D29 D30 E31 R59 L62 K63 | D29-V33 WeakPolarHBondContact O-CG2 3.39Å; D29-V33 PolarHBondContact O-N 3.47Å; D29-V33 VanDerWaalsContact O-N 3.12Å; D30-V33 PolarHBondContact O-N 2.98Å; E31-V33 PolarHBondContact O-N 3.2Å; V33-R59 PolarHBondContact O-NH2 3.1Å; V33-L62 HydrophobicContact CG2-CB 3.36Å; V33-L62 HydrophobicContact CG2-CD1 3.93Å; V33-L62 HydrophobicContact CG2-CG 4.24Å; V33-K63 HydrophobicContact CG1-CG 4.37Å; V33-K63 WeakPolarHBondContact O-CE 3.46Å |
| 34 | V | 96.3 | Very high | 89.5 | Confident | 124 Ų | 124 | 73 Ų | 73 | 75% | 0.752 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -78.2 | -33.2 | -168.8 | -177.7 | 0 | 0 | 0 | 0 | 112.7 | D30 E31 | D30-V34 VanDerWaalsContact O-CG2 3.24Å; D30-V34 WeakPolarHBondContact O-CG2 3.42Å; D30-V34 PolarHBondContact O-N 3.38Å; E31-V34 PolarHBondContact O-N 3.41Å; E31-V34 VanDerWaalsContact O-N 3.15Å |
| 35 | M | 96 | Very high | 91.7 | Very high | 22 Ų | 22 | 79.8 Ų | 79.8 | 11% | 0.108 | 43% | 0.426 | C | S | . | . | S | Bend | trans | -50.3 | 143.2 | 178.7 | -79.4 | 170.1 | 74.6 | 0 | 0 | 112.1 | L27 E31 E39 H43 R59 | L27-M35 HydrophobicContact CD2-SD 4.43Å; E31-M35 WeakPolarHBondContact O-CB 3.45Å; E31-M35 WeakPolarHBondContact O-CG 3.31Å; E31-M35 PolarHBondContact O-N 2.89Å; M35-E39 HydrophobicContact CB-CB 4.34Å; M35-E39 VanDerWaalsContact CE-C 3.4Å; M35-E39 HydrophobicContact CE-CB 3.71Å; M35-E39 WeakPolarHBondContact CE-O 3.33Å; M35-E39 HydrophobicContact CG-CB 4.46Å; M35-H43 HydrophobicContact CE-CB 4.37Å; M35-H43 VanDerWaalsContact CE-CE1 3.46Å; M35-H43 WeakPolarHBondContact CE-CE1 3.38Å; M35-H43 WeakPolarHBondContact CE-ND1 3.46Å; M35-R59 VanDerWaalsContact O-CZ 3.23Å; M35-R59 PolarHBondContact O-NH1 2.85Å; M35-R59 PolarHBondContact O-NH2 3.38Å |
| 36 | S | 97 | Very high | 93.4 | Very high | 50 Ų | 50 | 80 Ų | 80 | 35% | 0.35 | 44% | 0.443 | S | S | . | . | trans | -65.1 | 171.6 | 170.9 | 66.9 | 0 | 0 | 0 | 0 | 112 | R38 E39 L40 R59 | S36-R38 VanDerWaalsContact C-N 3.28Å; S36-E39 WeakPolarHBondContact CB-OE2 3.44Å; S36-E39 PolarHBondContact N-OE2 2.89Å; S36-E39 WeakPolarHBondContact OG-CB 3.47Å; S36-E39 VanDerWaalsContact OG-CD 3.23Å; S36-E39 VanDerWaalsContact OG-CG 3.29Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 2.66Å; S36-E39 VanDerWaalsContact OG-N 3.11Å; S36-E39 PolarHBondContact OG-OE2 3.06Å; S36-L40 WeakPolarHBondContact O-CB 3.44Å; S36-L40 PolarHBondContact O-N 3.23Å; S36-L40 VanDerWaalsContact O-N 3.17Å; S36-R59 PolarHBondContact O-NH1 3.07Å | ||
| 37 | V | 96.6 | Very high | 94.5 | Very high | 96 Ų | 96 | 76.5 Ų | 76.5 | 58% | 0.582 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -65.8 | -36.2 | 171.9 | 177 | 0 | 0 | 0 | 0 | 110.5 | L40 N41 | V37-L40 PolarHBondContact O-N 2.9Å; V37-N41 WeakPolarHBondContact O-CB 3.36Å; V37-N41 VanDerWaalsContact O-CG 3.29Å; V37-N41 PolarHBondContact O-N 3.34Å; V37-N41 PolarHBondContact O-ND2 3.46Å |
| 38 | R | 97.3 | Very high | 95.1 | Very high | 211 Ų | 211 | 79 Ų | 79 | 80% | 0.796 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -65.4 | -48.8 | -180 | -172.3 | 178.9 | 179.7 | -176.3 | -0.4 | 111.5 | S36 L40 N41 T42 | S36-R38 VanDerWaalsContact C-N 3.28Å; R38-L40 VanDerWaalsContact C-N 3.34Å; R38-L40 PolarHBondContact O-N 3.35Å; R38-N41 PolarHBondContact O-N 3.41Å; R38-T42 PolarHBondContact O-N 3.37Å; R38-T42 PolarHBondContact O-OG1 3.35Å |
| 39 | E | 95.9 | Very high | 95.2 | Very high | 100 Ų | 100 | 84.5 Ų | 84.5 | 47% | 0.467 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -63.7 | -40.3 | 177.9 | -69.6 | 156.8 | 158.3 | 0 | 0 | 111.6 | M35 S36 N41 T42 H43 | M35-E39 HydrophobicContact CB-CB 4.34Å; M35-E39 VanDerWaalsContact CE-C 3.4Å; M35-E39 HydrophobicContact CE-CB 3.71Å; M35-E39 WeakPolarHBondContact CE-O 3.33Å; M35-E39 HydrophobicContact CG-CB 4.46Å; S36-E39 WeakPolarHBondContact CB-OE2 3.44Å; S36-E39 PolarHBondContact N-OE2 2.89Å; S36-E39 WeakPolarHBondContact OG-CB 3.47Å; S36-E39 VanDerWaalsContact OG-CD 3.23Å; S36-E39 VanDerWaalsContact OG-CG 3.29Å; S36-E39 WeakPolarHBondContact OG-CG 3.26Å; S36-E39 PolarHBondContact OG-N 2.66Å; S36-E39 VanDerWaalsContact OG-N 3.11Å; S36-E39 PolarHBondContact OG-OE2 3.06Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 2.97Å; E39-T42 WeakPolarHBondContact O-CB 3.22Å; E39-T42 PolarHBondContact O-N 3.01Å; E39-H43 PolarHBondContact O-N 3.31Å; E39-H43 VanDerWaalsContact O-N 3.13Å; E39-H43 PolarHBondContact O-ND1 2.99Å |
| 40 | L | 95.5 | Very high | 95.3 | Very high | 10 Ų | 10 | 87.9 Ų | 87.9 | 5% | 0.052 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -59.5 | -48 | 174.1 | 175.8 | 66.5 | 0 | 0 | 0 | 110.3 | L32 S36 V37 R38 T42 H43 L44 L55 R59 | L32-L40 HydrophobicContact CD1-CD1 3.85Å; S36-L40 WeakPolarHBondContact O-CB 3.44Å; S36-L40 PolarHBondContact O-N 3.23Å; S36-L40 VanDerWaalsContact O-N 3.17Å; V37-L40 PolarHBondContact O-N 2.9Å; R38-L40 VanDerWaalsContact C-N 3.34Å; R38-L40 PolarHBondContact O-N 3.35Å; L40-T42 VanDerWaalsContact C-N 3.25Å; L40-T42 PolarHBondContact O-N 3.15Å; L40-H43 PolarHBondContact O-N 2.95Å; L40-L44 HydrophobicContact CD1-CD1 4.4Å; L40-L44 HydrophobicContact CD1-CD2 4.41Å; L40-L44 HydrophobicContact CD1-CG 4.21Å; L40-L44 HydrophobicContact CD2-CD1 4.41Å; L40-L44 HydrophobicContact CG-CD1 3.95Å; L40-L44 HydrophobicContact CG-CG 4.2Å; L40-L44 VanDerWaalsContact O-CG 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.49Å; L40-L44 PolarHBondContact O-N 3.41Å; L40-L55 HydrophobicContact CD1-CD2 3.93Å; L40-L55 HydrophobicContact CD1-CG 4.46Å; L40-R59 VanDerWaalsContact CD2-NH1 3.28Å |
| 41 | N | 95.8 | Very high | 95.2 | Very high | 73 Ų | 73 | 83.5 Ų | 83.5 | 39% | 0.39 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -62.2 | -31.6 | 179.9 | -75.4 | -32.9 | 0 | 0 | 0 | 113 | V37 R38 E39 L44 | V37-N41 WeakPolarHBondContact O-CB 3.36Å; V37-N41 VanDerWaalsContact O-CG 3.29Å; V37-N41 PolarHBondContact O-N 3.34Å; V37-N41 PolarHBondContact O-ND2 3.46Å; R38-N41 PolarHBondContact O-N 3.41Å; E39-N41 VanDerWaalsContact C-N 3.34Å; E39-N41 PolarHBondContact O-N 2.97Å; N41-L44 PolarHBondContact O-N 3.33Å |
| 42 | T | 94.9 | Very high | 95.2 | Very high | 83 Ų | 83 | 79.5 Ų | 79.5 | 51% | 0.509 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.6 | -45.9 | 171.1 | -58.2 | 0 | 0 | 0 | 0 | 111.4 | R38 E39 L40 L44 R45 | R38-T42 PolarHBondContact O-N 3.37Å; R38-T42 PolarHBondContact O-OG1 3.35Å; E39-T42 WeakPolarHBondContact O-CB 3.22Å; E39-T42 PolarHBondContact O-N 3.01Å; L40-T42 VanDerWaalsContact C-N 3.25Å; L40-T42 PolarHBondContact O-N 3.15Å; T42-L44 PolarHBondContact O-N 3.25Å; T42-R45 WeakPolarHBondContact O-CB 3.23Å; T42-R45 PolarHBondContact O-N 2.96Å |
| 43 | H | 91.8 | Very high | 95.2 | Very high | 80 Ų | 80 | 83.9 Ų | 83.9 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -68.3 | -21.6 | 178.1 | -73.6 | 76.2 | 0 | 0 | 0 | 113.8 | L27 M35 E39 L40 R45 | L27-H43 HydrophobicContact CD1-CB 4.48Å; M35-H43 HydrophobicContact CE-CB 4.37Å; M35-H43 VanDerWaalsContact CE-CE1 3.46Å; M35-H43 WeakPolarHBondContact CE-CE1 3.38Å; M35-H43 WeakPolarHBondContact CE-ND1 3.46Å; E39-H43 PolarHBondContact O-N 3.31Å; E39-H43 VanDerWaalsContact O-N 3.13Å; E39-H43 PolarHBondContact O-ND1 2.99Å; L40-H43 PolarHBondContact O-N 2.95Å; H43-R45 VanDerWaalsContact C-N 3.33Å |
| 44 | L | 94.7 | Very high | 95.2 | Very high | 16 Ų | 16 | 88.8 Ų | 88.8 | 8% | 0.084 | 46% | 0.456 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -12.3 | 176.8 | -68 | 176.6 | 0 | 0 | 0 | 113.4 | L40 N41 T42 L47 V52 L55 K56 | L40-L44 HydrophobicContact CD1-CD1 4.4Å; L40-L44 HydrophobicContact CD1-CD2 4.41Å; L40-L44 HydrophobicContact CD1-CG 4.21Å; L40-L44 HydrophobicContact CD2-CD1 4.41Å; L40-L44 HydrophobicContact CG-CD1 3.95Å; L40-L44 HydrophobicContact CG-CG 4.2Å; L40-L44 VanDerWaalsContact O-CG 3.26Å; L40-L44 WeakPolarHBondContact O-CG 3.49Å; L40-L44 PolarHBondContact O-N 3.41Å; N41-L44 PolarHBondContact O-N 3.33Å; T42-L44 PolarHBondContact O-N 3.25Å; L44-L47 HydrophobicContact CD2-CD1 4.15Å; L44-L47 PolarHBondContact O-N 2.9Å; L44-V52 HydrophobicContact CB-CG2 4.38Å; L44-V52 HydrophobicContact CD1-CG1 4.21Å; L44-V52 HydrophobicContact CD2-CB 4.33Å; L44-V52 HydrophobicContact CD2-CG1 4.2Å; L44-V52 HydrophobicContact CD2-CG2 4.12Å; L44-L55 HydrophobicContact CD2-CB 4.24Å; L44-L55 HydrophobicContact CD2-CD2 3.69Å; L44-L55 HydrophobicContact CD2-CG 4.5Å; L44-K56 HydrophobicContact CD1-CG 4.4Å |
| 45 | R | 95.1 | Very high | 95.1 | Very high | 198 Ų | 198 | 83.9 Ų | 83.9 | 75% | 0.747 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.8 | 134 | 179.9 | -66.6 | -177 | -172.6 | -92.3 | 1.6 | 110.1 | T42 H43 L47 | T42-R45 WeakPolarHBondContact O-CB 3.23Å; T42-R45 PolarHBondContact O-N 2.96Å; H43-R45 VanDerWaalsContact C-N 3.33Å; R45-L47 PolarHBondContact O-N 3.39Å |
| 46 | G | 91.8 | Very high | 95.2 | Very high | 89 Ų | 89 | 88 Ų | 88 | 92% | 0.918 | 44% | 0.443 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.9 | -3.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 47 | L | 93.6 | Very high | 95.2 | Very high | 37 Ų | 37 | 90.5 Ų | 90.5 | 19% | 0.194 | 45% | 0.449 | C | S | . | . | trans | -80.8 | 154.2 | 172.5 | -62.7 | -173.7 | 0 | 0 | 0 | 111.8 | N23 A24 L44 R45 D51 V52 | N23-L47 WeakPolarHBondContact O-CD2 3.49Å; A24-L47 HydrophobicContact CB-CD2 4.37Å; L44-L47 HydrophobicContact CD2-CD1 4.15Å; L44-L47 PolarHBondContact O-N 2.9Å; R45-L47 PolarHBondContact O-N 3.39Å; L47-D51 HydrophobicContact CB-CB 4.24Å; L47-V52 HydrophobicContact CB-CG2 3.97Å | ||
| 48 | T | 95.6 | Very high | 95.2 | Very high | 70 Ų | 70 | 90.4 Ų | 90.4 | 43% | 0.429 | 44% | 0.438 | S | S | . | . | trans | -66.5 | 158 | 172.5 | 70.3 | 0 | 0 | 0 | 0 | 111.2 | E50 D51 V52 | T48-E50 PolarHBondContact O-N 3.42Å; T48-D51 PolarHBondContact O-N 2.89Å; T48-D51 WeakPolarHBondContact OG1-CB 3.49Å; T48-D51 PolarHBondContact OG1-N 3.4Å; T48-D51 PolarHBondContact OG1-OD2 3.19Å; T48-V52 VanDerWaalsContact O-CG2 3.31Å; T48-V52 WeakPolarHBondContact O-CG2 3.5Å; T48-V52 PolarHBondContact O-N 2.76Å | ||
| 49 | K | 95.9 | Very high | 95.2 | Very high | 162 Ų | 162 | 81.1 Ų | 81.1 | 70% | 0.704 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -58.3 | -39.9 | 179.5 | -175.4 | -178.4 | 177.5 | -175.4 | 0 | 111.3 | V52 V53 | K49-V52 PolarHBondContact O-N 3.42Å; K49-V53 WeakPolarHBondContact O-CG2 3.31Å; K49-V53 PolarHBondContact O-N 2.94Å |
| 50 | E | 95.2 | Very high | 95.3 | Very high | 131 Ų | 131 | 84 Ų | 84 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -63.9 | -44.8 | 179.3 | -66.5 | 64.8 | -140.4 | 0 | 0 | 110.9 | T48 V53 R54 | T48-E50 PolarHBondContact O-N 3.42Å; E50-V53 PolarHBondContact O-N 2.61Å; E50-R54 WeakPolarHBondContact O-CB 3.29Å; E50-R54 PolarHBondContact O-N 3.1Å |
| 51 | D | 92.6 | Very high | 95.5 | Very high | 39 Ų | 39 | 86.8 Ų | 86.8 | 21% | 0.209 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -66.1 | -39.9 | 177.6 | -64.7 | -36.9 | 0 | 0 | 0 | 111.9 | L47 T48 V53 R54 L55 | L47-D51 HydrophobicContact CB-CB 4.24Å; T48-D51 PolarHBondContact O-N 2.89Å; T48-D51 WeakPolarHBondContact OG1-CB 3.49Å; T48-D51 PolarHBondContact OG1-N 3.4Å; T48-D51 PolarHBondContact OG1-OD2 3.19Å; D51-V53 PolarHBondContact O-N 3.17Å; D51-R54 PolarHBondContact O-N 3.04Å; D51-R54 IonicContact OD1-CZ 2.73Å; D51-R54 IonicContact OD1-NH1 2.72Å; D51-R54 PolarHBondContact OD1-NH1 3.26Å; D51-R54 IonicContact OD1-NH2 3.06Å; D51-R54 PolarHBondContact OD1-NH2 3.43Å; D51-L55 WeakPolarHBondContact O-CB 3.43Å; D51-L55 PolarHBondContact O-N 3.21Å |
| 52 | V | 95.1 | Very high | 95.6 | Very high | 29 Ų | 29 | 84.1 Ų | 84.1 | 18% | 0.176 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.9 | -46.9 | 175.5 | 170.9 | 0 | 0 | 0 | 0 | 111 | L44 L47 T48 K49 L55 K56 | L44-V52 HydrophobicContact CB-CG2 4.38Å; L44-V52 HydrophobicContact CD1-CG1 4.21Å; L44-V52 HydrophobicContact CD2-CB 4.33Å; L44-V52 HydrophobicContact CD2-CG1 4.2Å; L44-V52 HydrophobicContact CD2-CG2 4.12Å; L47-V52 HydrophobicContact CB-CG2 3.97Å; T48-V52 VanDerWaalsContact O-CG2 3.31Å; T48-V52 WeakPolarHBondContact O-CG2 3.5Å; T48-V52 PolarHBondContact O-N 2.76Å; K49-V52 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 2.64Å; V52-K56 HydrophobicContact CG1-CD 4.17Å; V52-K56 WeakPolarHBondContact O-CB 3.15Å; V52-K56 WeakPolarHBondContact O-CG 3.41Å; V52-K56 PolarHBondContact O-N 3.37Å |
| 53 | V | 96.9 | Very high | 95.7 | Very high | 92 Ų | 92 | 83.2 Ų | 83.2 | 56% | 0.558 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.1 | -45.7 | 177.7 | 172 | 0 | 0 | 0 | 0 | 110.4 | K49 E50 D51 L55 K56 Q57 | K49-V53 WeakPolarHBondContact O-CG2 3.31Å; K49-V53 PolarHBondContact O-N 2.94Å; E50-V53 PolarHBondContact O-N 2.61Å; D51-V53 PolarHBondContact O-N 3.17Å; V53-L55 PolarHBondContact O-N 3.48Å; V53-K56 PolarHBondContact O-N 2.96Å; V53-Q57 WeakPolarHBondContact O-CB 3.44Å; V53-Q57 PolarHBondContact O-N 3.19Å |
| 54 | R | 95.3 | Very high | 96 | Very high | 153 Ų | 153 | 83.3 Ų | 83.3 | 58% | 0.577 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -58.6 | -45.5 | 178.4 | -172 | 175 | 68.8 | -122.6 | -3.1 | 111.7 | E50 D51 Q57 R58 | E50-R54 WeakPolarHBondContact O-CB 3.29Å; E50-R54 PolarHBondContact O-N 3.1Å; D51-R54 PolarHBondContact O-N 3.04Å; D51-R54 IonicContact OD1-CZ 2.73Å; D51-R54 IonicContact OD1-NH1 2.72Å; D51-R54 PolarHBondContact OD1-NH1 3.26Å; D51-R54 IonicContact OD1-NH2 3.06Å; D51-R54 PolarHBondContact OD1-NH2 3.43Å; R54-Q57 PolarHBondContact O-N 3.45Å; R54-R58 WeakPolarHBondContact O-CB 3.34Å; R54-R58 PolarHBondContact O-N 3.29Å |
| 55 | L | 95.4 | Very high | 96.2 | Very high | 21 Ų | 21 | 90.3 Ų | 90.3 | 11% | 0.11 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -70 | -40.9 | -178.1 | -163.6 | 68 | 0 | 0 | 0 | 112.1 | L27 L32 L40 L44 D51 V52 V53 R58 R59 | L27-L55 HydrophobicContact CD1-CD1 4.33Å; L27-L55 HydrophobicContact CD1-CD2 3.81Å; L32-L55 HydrophobicContact CD1-CD1 4.03Å; L32-L55 HydrophobicContact CD1-CD2 4.35Å; L32-L55 HydrophobicContact CD1-CG 3.96Å; L32-L55 HydrophobicContact CD2-CD1 3.85Å; L32-L55 HydrophobicContact CD2-CG 4.42Å; L40-L55 HydrophobicContact CD1-CD2 3.93Å; L40-L55 HydrophobicContact CD1-CG 4.46Å; L44-L55 HydrophobicContact CD2-CB 4.24Å; L44-L55 HydrophobicContact CD2-CD2 3.69Å; L44-L55 HydrophobicContact CD2-CG 4.5Å; D51-L55 WeakPolarHBondContact O-CB 3.43Å; D51-L55 PolarHBondContact O-N 3.21Å; V52-L55 PolarHBondContact O-N 2.64Å; V53-L55 PolarHBondContact O-N 3.48Å; L55-R58 PolarHBondContact O-N 2.85Å; L55-R59 WeakPolarHBondContact O-CB 3.24Å; L55-R59 PolarHBondContact O-N 3.35Å |
| 56 | K | 96.6 | Very high | 96.3 | Very high | 108 Ų | 108 | 82.5 Ų | 82.5 | 47% | 0.47 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -62.5 | -42.9 | 174 | -76.3 | -179.1 | 175.8 | 179 | 0 | 111.8 | L44 V52 V53 R59 R60 | L44-K56 HydrophobicContact CD1-CG 4.4Å; V52-K56 HydrophobicContact CG1-CD 4.17Å; V52-K56 WeakPolarHBondContact O-CB 3.15Å; V52-K56 WeakPolarHBondContact O-CG 3.41Å; V52-K56 PolarHBondContact O-N 3.37Å; V53-K56 PolarHBondContact O-N 2.96Å; K56-R59 PolarHBondContact O-N 3.48Å; K56-R60 PolarHBondContact O-N 2.94Å |
| 57 | Q | 97.7 | Very high | 96.6 | Very high | 103 Ų | 103 | 85.3 Ų | 85.3 | 48% | 0.481 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -44.8 | 177.6 | -175.1 | 60.2 | 22.1 | 0 | 0 | 111.4 | V53 R54 R59 R60 T61 | V53-Q57 WeakPolarHBondContact O-CB 3.44Å; V53-Q57 PolarHBondContact O-N 3.19Å; R54-Q57 PolarHBondContact O-N 3.45Å; Q57-R59 VanDerWaalsContact C-N 3.33Å; Q57-R59 PolarHBondContact O-N 3.34Å; Q57-R60 PolarHBondContact O-N 3.19Å; Q57-T61 PolarHBondContact O-N 3.42Å; Q57-T61 PolarHBondContact O-OG1 3.48Å |
| 58 | R | 96.8 | Very high | 96.9 | Very high | 93 Ų | 93 | 85.6 Ų | 85.6 | 35% | 0.351 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -55 | -49.3 | 173.9 | -177.5 | 178.9 | 170.6 | -148.2 | 5.5 | 110.6 | L27 D29 L32 R54 L55 R60 T61 L62 | L27-R58 PolarHBondContact O-NH1 3.17Å; L27-R58 PolarHBondContact O-NH2 3.13Å; L27-R58 VanDerWaalsContact O-NH2 3.1Å; D29-R58 IonicContact OD1-CZ 2.9Å; D29-R58 IonicContact OD1-NE 2.61Å; D29-R58 PolarHBondContact OD1-NE 3.06Å; D29-R58 IonicContact OD1-NH2 2.99Å; D29-R58 PolarHBondContact OD1-NH2 2.94Å; L32-R58 HydrophobicContact CD2-CB 4.2Å; L32-R58 HydrophobicContact CD2-CG 3.85Å; R54-R58 WeakPolarHBondContact O-CB 3.34Å; R54-R58 PolarHBondContact O-N 3.29Å; L55-R58 PolarHBondContact O-N 2.85Å; R58-R60 PolarHBondContact O-N 3.45Å; R58-T61 PolarHBondContact O-N 3.2Å; R58-L62 HydrophobicContact CG-CD1 4.16Å; R58-L62 WeakPolarHBondContact O-CG 3.39Å; R58-L62 PolarHBondContact O-N 3.26Å |
| 59 | R | 97.8 | Very high | 97 | Very high | 17 Ų | 17 | 84.6 Ų | 84.6 | 6% | 0.064 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 176.9 | -172.8 | 173.3 | -174.4 | -167.9 | -9.6 | 112.9 | L32 V33 M35 S36 L40 L55 K56 Q57 L62 K63 | L32-R59 HydrophobicContact CD1-CB 4.11Å; L32-R59 HydrophobicContact CD1-CG 4.37Å; L32-R59 HydrophobicContact CD2-CB 4.11Å; L32-R59 HydrophobicContact CG-CB 3.88Å; L32-R59 HydrophobicContact CG-CG 4.13Å; L32-R59 VanDerWaalsContact O-CD 3.29Å; L32-R59 WeakPolarHBondContact O-CD 3.5Å; L32-R59 WeakPolarHBondContact O-CG 3.29Å; L32-R59 PolarHBondContact O-NE 3.36Å; V33-R59 PolarHBondContact O-NH2 3.1Å; M35-R59 VanDerWaalsContact O-CZ 3.23Å; M35-R59 PolarHBondContact O-NH1 2.85Å; M35-R59 PolarHBondContact O-NH2 3.38Å; S36-R59 PolarHBondContact O-NH1 3.07Å; L40-R59 VanDerWaalsContact CD2-NH1 3.28Å; L55-R59 WeakPolarHBondContact O-CB 3.24Å; L55-R59 PolarHBondContact O-N 3.35Å; K56-R59 PolarHBondContact O-N 3.48Å; Q57-R59 VanDerWaalsContact C-N 3.33Å; Q57-R59 PolarHBondContact O-N 3.34Å; R59-L62 PolarHBondContact O-N 3.41Å; R59-K63 PolarHBondContact O-N 2.72Å |
| 60 | R | 98.3 | Very high | 97.1 | Very high | 159 Ų | 159 | 79.6 Ų | 79.6 | 60% | 0.6 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -60.5 | -46.5 | 177.3 | -176.5 | 178.6 | -175.7 | 173.1 | 1.4 | 111.4 | K56 Q57 R58 L62 K63 N64 | K56-R60 PolarHBondContact O-N 2.94Å; Q57-R60 PolarHBondContact O-N 3.19Å; R58-R60 PolarHBondContact O-N 3.45Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L62 PolarHBondContact O-N 2.54Å; R60-K63 PolarHBondContact O-N 2.95Å; R60-N64 WeakPolarHBondContact O-CB 3.43Å; R60-N64 VanDerWaalsContact O-CG 3.27Å; R60-N64 PolarHBondContact O-N 3.16Å |
| 61 | T | 98.2 | Very high | 97.3 | Very high | 69 Ų | 69 | 76.3 Ų | 76.3 | 42% | 0.423 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.3 | -43.9 | 178 | -61.1 | 0 | 0 | 0 | 0 | 111.6 | Q57 R58 N64 R65 | Q57-T61 PolarHBondContact O-N 3.42Å; Q57-T61 PolarHBondContact O-OG1 3.48Å; R58-T61 PolarHBondContact O-N 3.2Å; T61-N64 PolarHBondContact O-N 2.77Å; T61-R65 PolarHBondContact O-N 3.11Å |
| 62 | L | 97.9 | Very high | 97.6 | Very high | 17 Ų | 17 | 83 Ų | 83 | 9% | 0.089 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -66.1 | -44.3 | 178.2 | -65.3 | 169 | 0 | 0 | 0 | 112.3 | D29 L32 V33 R58 R59 R60 N64 R65 G66 | D29-L62 HydrophobicContact CB-CD1 3.8Å; D29-L62 HydrophobicContact CB-CD2 4.1Å; D29-L62 WeakPolarHBondContact OD1-CD1 3.15Å; L32-L62 HydrophobicContact CD2-CD1 4.11Å; V33-L62 HydrophobicContact CG2-CB 3.36Å; V33-L62 HydrophobicContact CG2-CD1 3.93Å; V33-L62 HydrophobicContact CG2-CG 4.24Å; R58-L62 HydrophobicContact CG-CD1 4.16Å; R58-L62 WeakPolarHBondContact O-CG 3.39Å; R58-L62 PolarHBondContact O-N 3.26Å; R59-L62 PolarHBondContact O-N 3.41Å; R60-L62 VanDerWaalsContact C-N 3.34Å; R60-L62 PolarHBondContact O-N 2.54Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 2.88Å; L62-R65 VanDerWaalsContact O-CB 3.31Å; L62-R65 WeakPolarHBondContact O-CB 3.35Å; L62-R65 PolarHBondContact O-N 3.03Å; L62-G66 PolarHBondContact O-N 3.31Å; L62-G66 VanDerWaalsContact O-N 3.1Å |
| 63 | K | 98.1 | Very high | 97.8 | Very high | 64 Ų | 64 | 86.8 Ų | 86.8 | 28% | 0.278 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -61.4 | -42.6 | 174.6 | -77.5 | -168.8 | 170.8 | -171.7 | 0 | 112.1 | V33 R59 R60 R65 G66 Y67 | V33-K63 HydrophobicContact CG1-CG 4.37Å; V33-K63 WeakPolarHBondContact O-CE 3.46Å; R59-K63 PolarHBondContact O-N 2.72Å; R60-K63 PolarHBondContact O-N 2.95Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.14Å; K63-G66 CarbonylContact O-C 3.59Å; K63-G66 WeakPolarHBondContact O-CA 3.43Å; K63-G66 PolarHBondContact O-N 3.42Å; K63-G66 VanDerWaalsContact O-N 3.07Å; K63-Y67 HydrophobicContact CB-CD2 4.48Å; K63-Y67 HydrophobicContact CB-CE2 3.93Å; K63-Y67 VanDerWaalsContact O-CD2 3.23Å; K63-Y67 WeakPolarHBondContact O-CD2 3.4Å; K63-Y67 PolarHBondContact O-N 2.9Å |
| 64 | N | 98.3 | Very high | 97.9 | Very high | 82 Ų | 82 | 89.9 Ų | 89.9 | 44% | 0.439 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.9 | -35.7 | 175.9 | -76.5 | -5.8 | 0 | 0 | 0 | 112.5 | R60 T61 L62 G66 Y67 A68 | R60-N64 WeakPolarHBondContact O-CB 3.43Å; R60-N64 VanDerWaalsContact O-CG 3.27Å; R60-N64 PolarHBondContact O-N 3.16Å; T61-N64 PolarHBondContact O-N 2.77Å; L62-N64 VanDerWaalsContact C-N 3.34Å; L62-N64 PolarHBondContact O-N 2.88Å; N64-G66 VanDerWaalsContact C-N 3.35Å; N64-Y67 PolarHBondContact O-N 3.45Å; N64-A68 WeakPolarHBondContact O-CB 3.21Å; N64-A68 PolarHBondContact O-N 3.18Å |
| 65 | R | 98.1 | Very high | 98 | Very high | 163 Ų | 163 | 90.8 Ų | 90.8 | 62% | 0.615 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -59.9 | -46.4 | 171.3 | -174.1 | -173.4 | -68.5 | 160.1 | -2.5 | 110.9 | T61 L62 K63 A68 A69 | T61-R65 PolarHBondContact O-N 3.11Å; L62-R65 VanDerWaalsContact O-CB 3.31Å; L62-R65 WeakPolarHBondContact O-CB 3.35Å; L62-R65 PolarHBondContact O-N 3.03Å; K63-R65 VanDerWaalsContact C-N 3.28Å; K63-R65 PolarHBondContact O-N 3.14Å; R65-A68 PolarHBondContact O-N 3.48Å; R65-A69 PolarHBondContact O-N 3.12Å; R65-A69 VanDerWaalsContact O-N 3.16Å |
| 66 | G | 97.9 | Very high | 98.2 | Very high | 35 Ų | 35 | 93.3 Ų | 93.3 | 36% | 0.361 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59.5 | -47 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | L62 K63 N64 A68 A69 S70 | L62-G66 PolarHBondContact O-N 3.31Å; L62-G66 VanDerWaalsContact O-N 3.1Å; K63-G66 CarbonylContact O-C 3.59Å; K63-G66 WeakPolarHBondContact O-CA 3.43Å; K63-G66 PolarHBondContact O-N 3.42Å; K63-G66 VanDerWaalsContact O-N 3.07Å; N64-G66 VanDerWaalsContact C-N 3.35Å; G66-A68 VanDerWaalsContact C-N 3.31Å; G66-A68 PolarHBondContact O-N 2.89Å; G66-A69 WeakPolarHBondContact O-CB 3.32Å; G66-A69 PolarHBondContact O-N 2.84Å; G66-A69 VanDerWaalsContact O-N 3.14Å; G66-S70 PolarHBondContact O-N 3.14Å; G66-S70 PolarHBondContact O-OG 3.28Å |
| 67 | Y | 98.4 | Very high | 98.3 | Very high | 147 Ų | 147 | 91.9 Ų | 91.9 | 58% | 0.576 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.3 | -37.5 | 177.8 | -62.5 | -40.8 | 0 | 0 | 0 | 112.9 | K63 N64 S70 C71 | K63-Y67 HydrophobicContact CB-CD2 4.48Å; K63-Y67 HydrophobicContact CB-CE2 3.93Å; K63-Y67 VanDerWaalsContact O-CD2 3.23Å; K63-Y67 WeakPolarHBondContact O-CD2 3.4Å; K63-Y67 PolarHBondContact O-N 2.9Å; N64-Y67 PolarHBondContact O-N 3.45Å; Y67-S70 PolarHBondContact O-N 3.15Å; Y67-C71 WeakPolarHBondContact O-CB 3.37Å; Y67-C71 PolarHBondContact O-N 3.12Å |
| 68 | A | 98.6 | Very high | 98.3 | Very high | 44 Ų | 44 | 93 Ų | 93 | 36% | 0.364 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | N64 R65 G66 C71 R72 | N64-A68 WeakPolarHBondContact O-CB 3.21Å; N64-A68 PolarHBondContact O-N 3.18Å; R65-A68 PolarHBondContact O-N 3.48Å; G66-A68 VanDerWaalsContact C-N 3.31Å; G66-A68 PolarHBondContact O-N 2.89Å; A68-C71 PolarHBondContact O-N 3.38Å; A68-R72 WeakPolarHBondContact O-CG 3.43Å; A68-R72 PolarHBondContact O-N 2.98Å; A68-R72 VanDerWaalsContact O-N 3.12Å |
| 69 | A | 98.3 | Very high | 98.4 | Very high | 48 Ų | 48 | 94.6 Ų | 94.6 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -63.2 | -49.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | R65 G66 C71 R72 I73 | R65-A69 PolarHBondContact O-N 3.12Å; R65-A69 VanDerWaalsContact O-N 3.16Å; G66-A69 WeakPolarHBondContact O-CB 3.32Å; G66-A69 PolarHBondContact O-N 2.84Å; G66-A69 VanDerWaalsContact O-N 3.14Å; A69-C71 VanDerWaalsContact C-N 3.27Å; A69-C71 PolarHBondContact O-N 3.41Å; A69-R72 WeakPolarHBondContact O-CB 3.36Å; A69-R72 PolarHBondContact O-N 3.01Å; A69-R72 VanDerWaalsContact O-N 3.14Å; A69-I73 WeakPolarHBondContact O-CG1 3.5Å; A69-I73 PolarHBondContact O-N 2.75Å |
| 70 | S | 98.6 | Very high | 98.5 | Very high | 58 Ų | 58 | 99.1 Ų | 99.1 | 41% | 0.406 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -35.3 | 176.8 | -56.3 | 0 | 0 | 0 | 0 | 112.6 | G66 Y67 I73 K74 | G66-S70 PolarHBondContact O-N 3.14Å; G66-S70 PolarHBondContact O-OG 3.28Å; Y67-S70 PolarHBondContact O-N 3.15Å; S70-I73 PolarHBondContact O-N 3.19Å; S70-K74 WeakPolarHBondContact O-CB 3.28Å; S70-K74 VanDerWaalsContact O-CG 3.32Å; S70-K74 WeakPolarHBondContact O-CG 3.24Å; S70-K74 PolarHBondContact O-N 3.22Å |
| 71 | C | 98.7 | Very high | 98.5 | Very high | 61 Ų | 61 | 94.9 Ų | 94.9 | 41% | 0.412 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.5 | -43.7 | 175.4 | -179.4 | 0 | 0 | 0 | 0 | 111.7 | Y67 A68 A69 R75 | Y67-C71 WeakPolarHBondContact O-CB 3.37Å; Y67-C71 PolarHBondContact O-N 3.12Å; A68-C71 PolarHBondContact O-N 3.38Å; A69-C71 VanDerWaalsContact C-N 3.27Å; A69-C71 PolarHBondContact O-N 3.41Å; C71-R75 WeakPolarHBondContact O-CB 3.27Å; C71-R75 PolarHBondContact O-N 3.09Å |
| 72 | R | 98.7 | Very high | 98.5 | Very high | 181 Ų | 181 | 96.3 Ų | 96.3 | 68% | 0.683 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -62.2 | -47.3 | 175.7 | -67.7 | 168.4 | -174.2 | -178.8 | 0.4 | 111 | A68 A69 R75 V76 | A68-R72 WeakPolarHBondContact O-CG 3.43Å; A68-R72 PolarHBondContact O-N 2.98Å; A68-R72 VanDerWaalsContact O-N 3.12Å; A69-R72 WeakPolarHBondContact O-CB 3.36Å; A69-R72 PolarHBondContact O-N 3.01Å; A69-R72 VanDerWaalsContact O-N 3.14Å; R72-R75 PolarHBondContact O-N 3.1Å; R72-V76 WeakPolarHBondContact O-CG2 3.48Å; R72-V76 PolarHBondContact O-N 3.16Å |
| 73 | I | 98.6 | Very high | 98.6 | Very high | 108 Ų | 108 | 99.9 Ų | 99.9 | 55% | 0.554 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -57.9 | -53.6 | 177.7 | -65.9 | 165.7 | 0 | 0 | 0 | 110.1 | A69 S70 R75 V76 T77 | A69-I73 WeakPolarHBondContact O-CG1 3.5Å; A69-I73 PolarHBondContact O-N 2.75Å; S70-I73 PolarHBondContact O-N 3.19Å; I73-R75 VanDerWaalsContact C-N 3.25Å; I73-R75 PolarHBondContact O-N 2.94Å; I73-V76 PolarHBondContact O-N 3.02Å; I73-V76 VanDerWaalsContact O-N 3.12Å; I73-T77 PolarHBondContact O-N 3.49Å; I73-T77 PolarHBondContact O-OG1 3.08Å; I73-T77 VanDerWaalsContact O-OG1 3.07Å |
| 74 | K | 98.8 | Very high | 98.6 | Very high | 157 Ų | 157 | 101.8 Ų | 101.8 | 68% | 0.683 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -53.9 | -42.6 | 178.5 | -77.2 | -178.6 | 178.4 | -171.9 | 0 | 112.4 | S70 Q78 | S70-K74 WeakPolarHBondContact O-CB 3.28Å; S70-K74 VanDerWaalsContact O-CG 3.32Å; S70-K74 WeakPolarHBondContact O-CG 3.24Å; S70-K74 PolarHBondContact O-N 3.22Å; K74-Q78 WeakPolarHBondContact O-CB 2.86Å; K74-Q78 PolarHBondContact O-N 3.25Å |
| 75 | R | 98.8 | Very high | 98.6 | Very high | 172 Ų | 172 | 101.8 Ų | 101.8 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -66.2 | -44.3 | 179.3 | -171.9 | -176.8 | -59.3 | 176.2 | 0.7 | 112.2 | C71 R72 I73 K79 | C71-R75 WeakPolarHBondContact O-CB 3.27Å; C71-R75 PolarHBondContact O-N 3.09Å; R72-R75 PolarHBondContact O-N 3.1Å; I73-R75 VanDerWaalsContact C-N 3.25Å; I73-R75 PolarHBondContact O-N 2.94Å; R75-K79 WeakPolarHBondContact O-CB 3.31Å; R75-K79 PolarHBondContact O-N 3.12Å |
| 76 | V | 98.7 | Very high | 98.6 | Very high | 74 Ų | 74 | 101.5 Ų | 101.5 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65 | -50.7 | 179 | 172.1 | 0 | 0 | 0 | 0 | 109.9 | R72 I73 Q78 K79 E80 | R72-V76 WeakPolarHBondContact O-CG2 3.48Å; R72-V76 PolarHBondContact O-N 3.16Å; I73-V76 PolarHBondContact O-N 3.02Å; I73-V76 VanDerWaalsContact O-N 3.12Å; V76-Q78 VanDerWaalsContact C-N 3.31Å; V76-Q78 PolarHBondContact O-N 3.07Å; V76-K79 WeakPolarHBondContact O-CB 3.39Å; V76-K79 PolarHBondContact O-N 2.9Å; V76-K79 VanDerWaalsContact O-N 3.08Å; V76-E80 HydrophobicContact CG1-CG 4.34Å; V76-E80 WeakPolarHBondContact CG1-OE1 3.42Å; V76-E80 WeakPolarHBondContact O-CG 3.21Å; V76-E80 PolarHBondContact O-N 3.32Å |
| 77 | T | 98.6 | Very high | 98.7 | Very high | 77 Ų | 77 | 106.4 Ų | 106.4 | 47% | 0.472 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -59.1 | -41.2 | 177.8 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | I73 K79 E80 E81 | I73-T77 PolarHBondContact O-N 3.49Å; I73-T77 PolarHBondContact O-OG1 3.08Å; I73-T77 VanDerWaalsContact O-OG1 3.07Å; T77-K79 VanDerWaalsContact C-N 3.34Å; T77-K79 PolarHBondContact O-N 3.49Å; T77-E80 PolarHBondContact O-N 3.21Å; T77-E81 WeakPolarHBondContact O-CB 3.3Å; T77-E81 PolarHBondContact O-N 3.24Å |
| 78 | Q | 98.8 | Very high | 98.7 | Very high | 128 Ų | 128 | 104.1 Ų | 104.1 | 60% | 0.598 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.8 | -39.6 | 176.6 | -174.6 | 178.4 | 14.4 | 0 | 0 | 112 | K74 V76 L82 | K74-Q78 WeakPolarHBondContact O-CB 2.86Å; K74-Q78 PolarHBondContact O-N 3.25Å; V76-Q78 VanDerWaalsContact C-N 3.31Å; V76-Q78 PolarHBondContact O-N 3.07Å; Q78-L82 HydrophobicContact CG-CD1 4.41Å; Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 2.88Å; Q78-L82 VanDerWaalsContact O-N 3.1Å |
| 79 | K | 98.7 | Very high | 98.7 | Very high | 125 Ų | 125 | 107.8 Ų | 107.8 | 54% | 0.543 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.5 | -48.4 | 176.3 | 179.9 | -173.1 | 165.7 | -170.9 | 0 | 111 | R75 V76 T77 E81 L82 E83 | R75-K79 WeakPolarHBondContact O-CB 3.31Å; R75-K79 PolarHBondContact O-N 3.12Å; V76-K79 WeakPolarHBondContact O-CB 3.39Å; V76-K79 PolarHBondContact O-N 2.9Å; V76-K79 VanDerWaalsContact O-N 3.08Å; T77-K79 VanDerWaalsContact C-N 3.34Å; T77-K79 PolarHBondContact O-N 3.49Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E81 PolarHBondContact O-N 2.94Å; K79-L82 PolarHBondContact O-N 3.35Å; K79-E83 WeakPolarHBondContact CE-OE1 3.35Å; K79-E83 IonicContact NZ-OE1 2.57Å; K79-E83 WeakPolarHBondContact O-CG 3.35Å; K79-E83 PolarHBondContact O-N 3.42Å |
| 80 | E | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 110.1 Ų | 110.1 | 52% | 0.523 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59.2 | -42.4 | 178.9 | -71.5 | 169.1 | 168.7 | 0 | 0 | 111.4 | V76 T77 L82 E83 R84 | V76-E80 HydrophobicContact CG1-CG 4.34Å; V76-E80 WeakPolarHBondContact CG1-OE1 3.42Å; V76-E80 WeakPolarHBondContact O-CG 3.21Å; V76-E80 PolarHBondContact O-N 3.32Å; T77-E80 PolarHBondContact O-N 3.21Å; E80-L82 PolarHBondContact O-N 3.23Å; E80-E83 PolarHBondContact O-N 2.96Å; E80-R84 WeakPolarHBondContact O-CB 3.38Å; E80-R84 PolarHBondContact O-N 3.03Å |
| 81 | E | 98.8 | Very high | 98.7 | Very high | 70 Ų | 70 | 112.7 Ų | 112.7 | 33% | 0.327 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -42.3 | 176.9 | 177 | 54.8 | -159.9 | 0 | 0 | 112.3 | T77 K79 E83 R84 Q85 | T77-E81 WeakPolarHBondContact O-CB 3.3Å; T77-E81 PolarHBondContact O-N 3.24Å; K79-E81 VanDerWaalsContact C-N 3.3Å; K79-E81 PolarHBondContact O-N 2.94Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.44Å; E81-R84 PolarHBondContact O-N 2.96Å; E81-R84 IonicContact OE1-CZ 3.59Å; E81-R84 IonicContact OE1-NE 3.97Å; E81-R84 IonicContact OE1-NH2 3.59Å; E81-R84 PolarHBondContact OE1-NH2 3.46Å; E81-R84 IonicContact OE2-CZ 2.76Å; E81-R84 IonicContact OE2-NE 2.69Å; E81-R84 PolarHBondContact OE2-NE 2.97Å; E81-R84 IonicContact OE2-NH2 3.62Å; E81-R84 PolarHBondContact OE2-NH2 3.33Å; E81-Q85 VanDerWaalsContact O-CG 3.3Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.93Å; E81-Q85 PolarHBondContact OE1-NE2 2.98Å |
| 82 | L | 98.8 | Very high | 98.7 | Very high | 100 Ų | 100 | 113.4 Ų | 113.4 | 52% | 0.524 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.9 | -37.6 | 174.8 | -71.3 | 171.3 | 0 | 0 | 0 | 112.1 | Q78 K79 E80 K86 | Q78-L82 HydrophobicContact CG-CD1 4.41Å; Q78-L82 VanDerWaalsContact O-CG 3.31Å; Q78-L82 WeakPolarHBondContact O-CG 3.43Å; Q78-L82 PolarHBondContact O-N 2.88Å; Q78-L82 VanDerWaalsContact O-N 3.1Å; K79-L82 PolarHBondContact O-N 3.35Å; E80-L82 PolarHBondContact O-N 3.23Å; L82-K86 WeakPolarHBondContact O-CB 3.33Å; L82-K86 PolarHBondContact O-N 3.5Å |
| 83 | E | 98.8 | Very high | 98.7 | Very high | 91 Ų | 91 | 109 Ų | 109 | 43% | 0.425 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -41.3 | 175.5 | -74.4 | 175.4 | 167.7 | 0 | 0 | 111.5 | K79 E80 E81 K86 Q87 | K79-E83 WeakPolarHBondContact CE-OE1 3.35Å; K79-E83 IonicContact NZ-OE1 2.57Å; K79-E83 WeakPolarHBondContact O-CG 3.35Å; K79-E83 PolarHBondContact O-N 3.42Å; E80-E83 PolarHBondContact O-N 2.96Å; E81-E83 VanDerWaalsContact C-N 3.34Å; E81-E83 PolarHBondContact O-N 3.44Å; E83-K86 PolarHBondContact O-N 3.41Å; E83-Q87 WeakPolarHBondContact O-CG 3.44Å; E83-Q87 PolarHBondContact O-N 2.88Å |
| 84 | R | 98.8 | Very high | 98.7 | Very high | 105 Ų | 105 | 107.1 Ų | 107.1 | 40% | 0.396 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -51.1 | 172.9 | -173.8 | -170.4 | 71.4 | 82.7 | 6.1 | 111.3 | E80 E81 K86 Q87 E88 | E80-R84 WeakPolarHBondContact O-CB 3.38Å; E80-R84 PolarHBondContact O-N 3.03Å; E81-R84 PolarHBondContact O-N 2.96Å; E81-R84 IonicContact OE1-CZ 3.59Å; E81-R84 IonicContact OE1-NE 3.97Å; E81-R84 IonicContact OE1-NH2 3.59Å; E81-R84 PolarHBondContact OE1-NH2 3.46Å; E81-R84 IonicContact OE2-CZ 2.76Å; E81-R84 IonicContact OE2-NE 2.69Å; E81-R84 PolarHBondContact OE2-NE 2.97Å; E81-R84 IonicContact OE2-NH2 3.62Å; E81-R84 PolarHBondContact OE2-NH2 3.33Å; R84-K86 VanDerWaalsContact C-N 3.29Å; R84-K86 PolarHBondContact O-N 2.95Å; R84-Q87 PolarHBondContact O-N 2.81Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; R84-E88 IonicContact CZ-OE1 3.56Å; R84-E88 IonicContact CZ-OE2 3.54Å; R84-E88 IonicContact NH1-OE1 3.5Å; R84-E88 PolarHBondContact NH1-OE1 2.69Å; R84-E88 IonicContact NH1-OE2 2.97Å; R84-E88 PolarHBondContact NH1-OE2 2.87Å; R84-E88 IonicContact NH2-OE2 3.38Å; R84-E88 WeakPolarHBondContact O-CG 3.5Å; R84-E88 PolarHBondContact O-N 3.41Å |
| 85 | Q | 98.8 | Very high | 98.7 | Very high | 81 Ų | 81 | 103 Ų | 103 | 38% | 0.379 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 178.3 | -72.5 | 176 | 5.2 | 0 | 0 | 112 | E81 E88 L89 | E81-Q85 VanDerWaalsContact O-CG 3.3Å; E81-Q85 WeakPolarHBondContact O-CG 3.35Å; E81-Q85 PolarHBondContact O-N 2.93Å; E81-Q85 PolarHBondContact OE1-NE2 2.98Å; Q85-E88 PolarHBondContact O-N 3.1Å; Q85-L89 WeakPolarHBondContact O-CB 3.4Å; Q85-L89 WeakPolarHBondContact O-CG 3.49Å; Q85-L89 PolarHBondContact O-N 2.94Å |
| 86 | K | 98.7 | Very high | 98.7 | Very high | 157 Ų | 157 | 99 Ų | 99 | 68% | 0.683 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -60.3 | -45.4 | 174.9 | -179.9 | -173.8 | 173.3 | -175.1 | 0 | 111.7 | L82 E83 R84 Q90 | L82-K86 WeakPolarHBondContact O-CB 3.33Å; L82-K86 PolarHBondContact O-N 3.5Å; E83-K86 PolarHBondContact O-N 3.41Å; R84-K86 VanDerWaalsContact C-N 3.29Å; R84-K86 PolarHBondContact O-N 2.95Å; K86-Q90 WeakPolarHBondContact O-CB 3.36Å; K86-Q90 PolarHBondContact O-N 2.87Å |
| 87 | Q | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 98.3 Ų | 98.3 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -64.1 | -42.3 | 179.3 | -72.8 | 173.6 | 2.4 | 0 | 0 | 111.8 | E83 R84 Q90 H91 | E83-Q87 WeakPolarHBondContact O-CG 3.44Å; E83-Q87 PolarHBondContact O-N 2.88Å; R84-Q87 PolarHBondContact O-N 2.81Å; R84-Q87 VanDerWaalsContact O-N 3.1Å; Q87-Q90 PolarHBondContact O-N 3.39Å; Q87-H91 WeakPolarHBondContact O-CB 3.45Å; Q87-H91 PolarHBondContact O-N 3.34Å |
| 88 | E | 98.8 | Very high | 98.7 | Very high | 99 Ų | 99 | 101.4 Ų | 101.4 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 177.7 | -74.5 | 173.6 | -177.2 | 0 | 0 | 112 | R84 Q85 Q90 H91 E92 | R84-E88 IonicContact CZ-OE1 3.56Å; R84-E88 IonicContact CZ-OE2 3.54Å; R84-E88 IonicContact NH1-OE1 3.5Å; R84-E88 PolarHBondContact NH1-OE1 2.69Å; R84-E88 IonicContact NH1-OE2 2.97Å; R84-E88 PolarHBondContact NH1-OE2 2.87Å; R84-E88 IonicContact NH2-OE2 3.38Å; R84-E88 WeakPolarHBondContact O-CG 3.5Å; R84-E88 PolarHBondContact O-N 3.41Å; Q85-E88 PolarHBondContact O-N 3.1Å; E88-Q90 VanDerWaalsContact C-N 3.33Å; E88-Q90 PolarHBondContact O-N 3.43Å; E88-H91 PolarHBondContact O-N 3.38Å; E88-E92 PolarHBondContact O-N 2.96Å |
| 89 | L | 98.8 | Very high | 98.7 | Very high | 121 Ų | 121 | 99.4 Ų | 99.4 | 63% | 0.634 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -62.4 | -41.1 | 175.7 | -72.5 | 172.1 | 0 | 0 | 0 | 111.9 | Q85 H91 E92 V93 | Q85-L89 WeakPolarHBondContact O-CB 3.4Å; Q85-L89 WeakPolarHBondContact O-CG 3.49Å; Q85-L89 PolarHBondContact O-N 2.94Å; L89-H91 VanDerWaalsContact C-N 3.34Å; L89-H91 PolarHBondContact O-N 2.93Å; L89-E92 PolarHBondContact O-N 3.32Å; L89-V93 WeakPolarHBondContact O-CG2 3.3Å; L89-V93 PolarHBondContact O-N 3.32Å |
| 90 | Q | 98.7 | Very high | 98.7 | Very high | 98 Ų | 98 | 97.5 Ų | 97.5 | 46% | 0.458 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 176.7 | -173 | 61.6 | 56 | 0 | 0 | 111.4 | K86 Q87 E88 E92 V93 D94 | K86-Q90 WeakPolarHBondContact O-CB 3.36Å; K86-Q90 PolarHBondContact O-N 2.87Å; Q87-Q90 PolarHBondContact O-N 3.39Å; E88-Q90 VanDerWaalsContact C-N 3.33Å; E88-Q90 PolarHBondContact O-N 3.43Å; Q90-E92 VanDerWaalsContact C-N 3.33Å; Q90-E92 PolarHBondContact O-N 2.97Å; Q90-V93 PolarHBondContact O-N 3Å; Q90-D94 PolarHBondContact NE2-OD1 3.47Å; Q90-D94 PolarHBondContact O-N 2.82Å |
| 91 | H | 98.8 | Very high | 98.7 | Very high | 112 Ų | 112 | 94.7 Ų | 94.7 | 52% | 0.519 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 176.9 | -179.6 | -88.9 | 0 | 0 | 0 | 112 | Q87 E88 L89 D94 K95 | Q87-H91 WeakPolarHBondContact O-CB 3.45Å; Q87-H91 PolarHBondContact O-N 3.34Å; E88-H91 PolarHBondContact O-N 3.38Å; L89-H91 VanDerWaalsContact C-N 3.34Å; L89-H91 PolarHBondContact O-N 2.93Å; H91-D94 PolarHBondContact O-N 2.57Å; H91-K95 WeakPolarHBondContact O-CB 3.49Å; H91-K95 PolarHBondContact O-N 3.37Å |
| 92 | E | 98.7 | Very high | 98.7 | Very high | 76 Ų | 76 | 94.1 Ų | 94.1 | 36% | 0.355 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.3 | -40.1 | 177.7 | -165.7 | 61.1 | -156.3 | 0 | 0 | 111.9 | E88 L89 Q90 D94 K95 L96 | E88-E92 PolarHBondContact O-N 2.96Å; L89-E92 PolarHBondContact O-N 3.32Å; Q90-E92 VanDerWaalsContact C-N 3.33Å; Q90-E92 PolarHBondContact O-N 2.97Å; E92-D94 VanDerWaalsContact C-N 3.35Å; E92-D94 PolarHBondContact O-N 2.97Å; E92-K95 PolarHBondContact O-N 3.33Å; E92-K95 IonicContact OE1-NZ 3.42Å; E92-K95 PolarHBondContact OE1-NZ 3.45Å; E92-K95 IonicContact OE2-NZ 2.87Å; E92-L96 HydrophobicContact CG-CD1 4.19Å; E92-L96 HydrophobicContact CG-CG 4.46Å; E92-L96 WeakPolarHBondContact O-CB 3.3Å; E92-L96 WeakPolarHBondContact O-CG 3.21Å; E92-L96 PolarHBondContact O-N 2.9Å |
| 93 | V | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 94.3 Ų | 94.3 | 53% | 0.527 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 173 | 168.2 | 0 | 0 | 0 | 0 | 110.8 | L89 Q90 K95 L96 A97 | L89-V93 WeakPolarHBondContact O-CG2 3.3Å; L89-V93 PolarHBondContact O-N 3.32Å; Q90-V93 PolarHBondContact O-N 3Å; V93-K95 VanDerWaalsContact C-N 3.32Å; V93-K95 PolarHBondContact O-N 2.93Å; V93-L96 PolarHBondContact O-N 3.49Å; V93-A97 VanDerWaalsContact O-CB 3.3Å; V93-A97 WeakPolarHBondContact O-CB 3.44Å; V93-A97 PolarHBondContact O-N 3.28Å |
| 94 | D | 98.8 | Very high | 98.7 | Very high | 69 Ų | 69 | 97.7 Ų | 97.7 | 37% | 0.369 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.7 | -37.4 | -178.7 | -65.6 | -15.7 | 0 | 0 | 0 | 111.7 | Q90 H91 E92 R98 | Q90-D94 PolarHBondContact NE2-OD1 3.47Å; Q90-D94 PolarHBondContact O-N 2.82Å; H91-D94 PolarHBondContact O-N 2.57Å; E92-D94 VanDerWaalsContact C-N 3.35Å; E92-D94 PolarHBondContact O-N 2.97Å; D94-R98 WeakPolarHBondContact O-CG 3.32Å; D94-R98 PolarHBondContact O-N 3.3Å; D94-R98 VanDerWaalsContact O-N 3.12Å; D94-R98 PolarHBondContact O-NH1 3.31Å |
| 95 | K | 98.7 | Very high | 98.6 | Very high | 70 Ų | 70 | 98.7 Ų | 98.7 | 30% | 0.304 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.3 | -52.6 | 174.7 | 177.1 | -174.2 | 156 | -138.8 | 0 | 111.3 | H91 E92 V93 A97 R98 E99 | H91-K95 WeakPolarHBondContact O-CB 3.49Å; H91-K95 PolarHBondContact O-N 3.37Å; E92-K95 PolarHBondContact O-N 3.33Å; E92-K95 IonicContact OE1-NZ 3.42Å; E92-K95 PolarHBondContact OE1-NZ 3.45Å; E92-K95 IonicContact OE2-NZ 2.87Å; V93-K95 VanDerWaalsContact C-N 3.32Å; V93-K95 PolarHBondContact O-N 2.93Å; K95-A97 VanDerWaalsContact C-N 3.27Å; K95-A97 PolarHBondContact O-N 2.99Å; K95-R98 PolarHBondContact O-N 3.41Å; K95-R98 VanDerWaalsContact O-N 3.13Å; K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 WeakPolarHBondContact CG-OE1 3.41Å; K95-E99 WeakPolarHBondContact O-CG 3.34Å; K95-E99 PolarHBondContact O-N 3.49Å |
| 96 | L | 98.7 | Very high | 98.6 | Very high | 90 Ų | 90 | 100.1 Ų | 100.1 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -36.3 | 178.3 | -70.4 | 173.4 | 0 | 0 | 0 | 111.9 | E92 V93 E99 N100 | E92-L96 HydrophobicContact CG-CD1 4.19Å; E92-L96 HydrophobicContact CG-CG 4.46Å; E92-L96 WeakPolarHBondContact O-CB 3.3Å; E92-L96 WeakPolarHBondContact O-CG 3.21Å; E92-L96 PolarHBondContact O-N 2.9Å; V93-L96 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 2.87Å; L96-N100 WeakPolarHBondContact O-CB 3.47Å; L96-N100 PolarHBondContact O-N 2.99Å |
| 97 | A | 98.7 | Very high | 98.6 | Very high | 58 Ų | 58 | 97 Ų | 97 | 48% | 0.479 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.4 | -42.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | V93 K95 A101 | V93-A97 VanDerWaalsContact O-CB 3.3Å; V93-A97 WeakPolarHBondContact O-CB 3.44Å; V93-A97 PolarHBondContact O-N 3.28Å; K95-A97 VanDerWaalsContact C-N 3.27Å; K95-A97 PolarHBondContact O-N 2.99Å; A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.35Å |
| 98 | R | 98.6 | Very high | 98.6 | Very high | 143 Ų | 143 | 94.3 Ų | 94.3 | 54% | 0.54 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -46.3 | 175.2 | -71.9 | -172.9 | -59.8 | -88.9 | 5.5 | 112.1 | D94 K95 N100 A101 S102 | D94-R98 WeakPolarHBondContact O-CG 3.32Å; D94-R98 PolarHBondContact O-N 3.3Å; D94-R98 VanDerWaalsContact O-N 3.12Å; D94-R98 PolarHBondContact O-NH1 3.31Å; K95-R98 PolarHBondContact O-N 3.41Å; K95-R98 VanDerWaalsContact O-N 3.13Å; R98-N100 VanDerWaalsContact C-N 3.35Å; R98-N100 PolarHBondContact O-N 3.43Å; R98-A101 PolarHBondContact O-N 3.26Å; R98-S102 PolarHBondContact O-N 2.94Å |
| 99 | E | 98.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 91.9 Ų | 91.9 | 40% | 0.397 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.4 | -43.9 | 178.4 | -70.9 | 172.5 | -173.6 | 0 | 0 | 111.3 | K95 L96 S102 M103 | K95-E99 WeakPolarHBondContact CE-OE1 3.43Å; K95-E99 WeakPolarHBondContact CG-OE1 3.41Å; K95-E99 WeakPolarHBondContact O-CG 3.34Å; K95-E99 PolarHBondContact O-N 3.49Å; L96-E99 PolarHBondContact O-N 2.87Å; E99-S102 WeakPolarHBondContact O-CB 3.36Å; E99-S102 PolarHBondContact O-N 3.42Å; E99-M103 WeakPolarHBondContact O-CG 3.45Å; E99-M103 PolarHBondContact O-N 3.41Å |
| 100 | N | 98.6 | Very high | 98.5 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 46% | 0.455 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63 | -44 | 176.6 | -166.8 | -32.7 | 0 | 0 | 0 | 111.7 | L96 R98 S102 M103 R104 | L96-N100 WeakPolarHBondContact O-CB 3.47Å; L96-N100 PolarHBondContact O-N 2.99Å; R98-N100 VanDerWaalsContact C-N 3.35Å; R98-N100 PolarHBondContact O-N 3.43Å; N100-S102 VanDerWaalsContact C-N 3.32Å; N100-S102 PolarHBondContact O-N 2.99Å; N100-M103 PolarHBondContact O-N 3.13Å; N100-R104 VanDerWaalsContact O-CG 3.3Å; N100-R104 WeakPolarHBondContact O-CG 3.43Å; N100-R104 PolarHBondContact O-N 3.12Å; N100-R104 WeakPolarHBondContact OD1-CD 3.47Å |
| 101 | A | 98.6 | Very high | 98.4 | Very high | 54 Ų | 54 | 93.9 Ų | 93.9 | 45% | 0.446 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59 | -42.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | A97 R98 R104 L105 | A97-A101 WeakPolarHBondContact O-CB 3.45Å; A97-A101 PolarHBondContact O-N 3.35Å; R98-A101 PolarHBondContact O-N 3.26Å; A101-R104 PolarHBondContact O-N 3.15Å; A101-L105 WeakPolarHBondContact O-CG 3.39Å; A101-L105 PolarHBondContact O-N 3.32Å; A101-L105 VanDerWaalsContact O-N 3.12Å |
| 102 | S | 98.6 | Very high | 98.4 | Very high | 57 Ų | 57 | 91.1 Ų | 91.1 | 40% | 0.399 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61 | -49.4 | 175.7 | -165.6 | 0 | 0 | 0 | 0 | 111.8 | R98 E99 N100 R104 L105 E106 | R98-S102 PolarHBondContact O-N 2.94Å; E99-S102 WeakPolarHBondContact O-CB 3.36Å; E99-S102 PolarHBondContact O-N 3.42Å; N100-S102 VanDerWaalsContact C-N 3.32Å; N100-S102 PolarHBondContact O-N 2.99Å; S102-R104 VanDerWaalsContact C-N 3.28Å; S102-R104 PolarHBondContact O-N 3.48Å; S102-L105 WeakPolarHBondContact O-CB 3.49Å; S102-L105 PolarHBondContact O-N 2.94Å; S102-L105 VanDerWaalsContact O-N 3.15Å; S102-E106 PolarHBondContact O-N 2.93Å; S102-E106 PolarHBondContact OG-OE1 3.38Å |
| 103 | M | 98.4 | Very high | 98.3 | Very high | 104 Ų | 104 | 94.6 Ų | 94.6 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -60.7 | -37.8 | 178.9 | -72.5 | -171.4 | -69.8 | 0 | 0 | 112.3 | E99 N100 E106 L107 | E99-M103 WeakPolarHBondContact O-CG 3.45Å; E99-M103 PolarHBondContact O-N 3.41Å; N100-M103 PolarHBondContact O-N 3.13Å; M103-E106 PolarHBondContact O-N 2.92Å; M103-L107 WeakPolarHBondContact O-CB 3.45Å; M103-L107 WeakPolarHBondContact O-CG 3.48Å; M103-L107 PolarHBondContact O-N 3.12Å |
| 104 | R | 98.3 | Very high | 98.2 | Very high | 162 Ų | 162 | 97.2 Ų | 97.2 | 61% | 0.611 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -43.2 | 176.1 | -71.9 | 178.3 | 73.7 | -179.7 | 4.2 | 111.7 | N100 A101 S102 E106 L107 D108 | N100-R104 VanDerWaalsContact O-CG 3.3Å; N100-R104 WeakPolarHBondContact O-CG 3.43Å; N100-R104 PolarHBondContact O-N 3.12Å; N100-R104 WeakPolarHBondContact OD1-CD 3.47Å; A101-R104 PolarHBondContact O-N 3.15Å; S102-R104 VanDerWaalsContact C-N 3.28Å; S102-R104 PolarHBondContact O-N 3.48Å; R104-E106 VanDerWaalsContact C-N 3.34Å; R104-E106 PolarHBondContact O-N 3.38Å; R104-L107 PolarHBondContact O-N 3.48Å; R104-D108 WeakPolarHBondContact O-CB 3.12Å; R104-D108 VanDerWaalsContact O-CG 3.28Å; R104-D108 PolarHBondContact O-N 3.25Å |
| 105 | L | 98.3 | Very high | 98.1 | Very high | 127 Ų | 127 | 99.8 Ų | 99.8 | 67% | 0.665 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -42.2 | 175.6 | -70.8 | 171.6 | 0 | 0 | 0 | 111.9 | A101 S102 D108 A109 | A101-L105 WeakPolarHBondContact O-CG 3.39Å; A101-L105 PolarHBondContact O-N 3.32Å; A101-L105 VanDerWaalsContact O-N 3.12Å; S102-L105 WeakPolarHBondContact O-CB 3.49Å; S102-L105 PolarHBondContact O-N 2.94Å; S102-L105 VanDerWaalsContact O-N 3.15Å; L105-D108 PolarHBondContact O-N 3.29Å; L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.47Å |
| 106 | E | 98.1 | Very high | 97.9 | Very high | 111 Ų | 111 | 99.5 Ų | 99.5 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 176.6 | -71.7 | 174 | -147.9 | 0 | 0 | 112.1 | S102 M103 R104 A109 L110 | S102-E106 PolarHBondContact O-N 2.93Å; S102-E106 PolarHBondContact OG-OE1 3.38Å; M103-E106 PolarHBondContact O-N 2.92Å; R104-E106 VanDerWaalsContact C-N 3.34Å; R104-E106 PolarHBondContact O-N 3.38Å; E106-A109 PolarHBondContact O-N 2.94Å; E106-L110 WeakPolarHBondContact O-CB 3.31Å; E106-L110 PolarHBondContact O-N 3.12Å |
| 107 | L | 98.3 | Very high | 97.7 | Very high | 90 Ų | 90 | 100.6 Ų | 100.6 | 47% | 0.471 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -44.3 | 175.2 | -77.9 | 174.7 | 0 | 0 | 0 | 111.9 | M103 R104 L110 R111 | M103-L107 WeakPolarHBondContact O-CB 3.45Å; M103-L107 WeakPolarHBondContact O-CG 3.48Å; M103-L107 PolarHBondContact O-N 3.12Å; R104-L107 PolarHBondContact O-N 3.48Å; L107-L110 PolarHBondContact O-N 3.01Å; L107-R111 WeakPolarHBondContact O-CB 3.45Å; L107-R111 VanDerWaalsContact O-CG 3.31Å; L107-R111 WeakPolarHBondContact O-CG 3.47Å; L107-R111 PolarHBondContact O-N 3.38Å |
| 108 | D | 98.2 | Very high | 97.5 | Very high | 82 Ų | 82 | 100.8 Ų | 100.8 | 44% | 0.439 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.2 | -39.9 | 179.3 | -70.2 | -20.1 | 0 | 0 | 0 | 111.2 | R104 L105 L110 R111 A112 | R104-D108 WeakPolarHBondContact O-CB 3.12Å; R104-D108 VanDerWaalsContact O-CG 3.28Å; R104-D108 PolarHBondContact O-N 3.25Å; L105-D108 PolarHBondContact O-N 3.29Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.38Å; D108-R111 PolarHBondContact O-N 3.27Å; D108-R111 IonicContact OD1-NH1 3.64Å; D108-R111 PolarHBondContact OD1-NH1 3.17Å; D108-A112 WeakPolarHBondContact O-CB 3.37Å; D108-A112 PolarHBondContact O-N 3.42Å |
| 109 | A | 97.9 | Very high | 97.2 | Very high | 49 Ų | 49 | 97.2 Ų | 97.2 | 41% | 0.405 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.9 | -39.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L105 E106 K113 | L105-A109 WeakPolarHBondContact O-CB 3.44Å; L105-A109 PolarHBondContact O-N 3.47Å; E106-A109 PolarHBondContact O-N 2.94Å; A109-K113 WeakPolarHBondContact O-CG 3.48Å; A109-K113 PolarHBondContact O-N 2.85Å; A109-K113 VanDerWaalsContact O-N 3.17Å |
| 110 | L | 97.8 | Very high | 96.8 | Very high | 112 Ų | 112 | 97.9 Ų | 97.9 | 59% | 0.586 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -70.2 | -40.5 | 177.8 | -168.6 | 64.2 | 0 | 0 | 0 | 111.7 | E106 L107 D108 K113 Y114 | E106-L110 WeakPolarHBondContact O-CB 3.31Å; E106-L110 PolarHBondContact O-N 3.12Å; L107-L110 PolarHBondContact O-N 3.01Å; D108-L110 VanDerWaalsContact C-N 3.34Å; D108-L110 PolarHBondContact O-N 3.38Å; L110-K113 PolarHBondContact O-N 2.86Å; L110-Y114 WeakPolarHBondContact O-CB 3.39Å; L110-Y114 PolarHBondContact O-N 2.95Å |
| 111 | R | 97.7 | Very high | 96.5 | Very high | 148 Ų | 148 | 96.1 Ų | 96.1 | 56% | 0.558 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -59.1 | -46.8 | 173.1 | -77.1 | 172 | 175.4 | 164.1 | -4.1 | 111.5 | L107 D108 K113 Y114 E115 | L107-R111 WeakPolarHBondContact O-CB 3.45Å; L107-R111 VanDerWaalsContact O-CG 3.31Å; L107-R111 WeakPolarHBondContact O-CG 3.47Å; L107-R111 PolarHBondContact O-N 3.38Å; D108-R111 PolarHBondContact O-N 3.27Å; D108-R111 IonicContact OD1-NH1 3.64Å; D108-R111 PolarHBondContact OD1-NH1 3.17Å; R111-K113 VanDerWaalsContact C-N 3.33Å; R111-K113 PolarHBondContact O-N 3.33Å; R111-Y114 WeakPolarHBondContact O-CB 3.42Å; R111-Y114 PolarHBondContact O-N 3.45Å; R111-Y114 VanDerWaalsContact O-N 3.12Å; R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 2.95Å |
| 112 | A | 97.4 | Very high | 96.1 | Very high | 54 Ų | 54 | 99.9 Ų | 99.9 | 45% | 0.446 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -43 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | D108 E115 A116 | D108-A112 WeakPolarHBondContact O-CB 3.37Å; D108-A112 PolarHBondContact O-N 3.42Å; A112-E115 PolarHBondContact O-N 2.9Å; A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 2.98Å |
| 113 | K | 96.6 | Very high | 95.2 | Very high | 149 Ų | 149 | 101.6 Ų | 101.6 | 65% | 0.648 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.2 | -43 | 174.6 | -71.5 | 171.8 | -175.5 | 174.7 | 0 | 112 | A109 L110 R111 A116 L117 | A109-K113 WeakPolarHBondContact O-CG 3.48Å; A109-K113 PolarHBondContact O-N 2.85Å; A109-K113 VanDerWaalsContact O-N 3.17Å; L110-K113 PolarHBondContact O-N 2.86Å; R111-K113 VanDerWaalsContact C-N 3.33Å; R111-K113 PolarHBondContact O-N 3.33Å; K113-A116 PolarHBondContact O-N 3.37Å; K113-L117 PolarHBondContact O-N 3.36Å; K113-L117 VanDerWaalsContact O-N 3.09Å |
| 114 | Y | 97.3 | Very high | 94.3 | Very high | 142 Ų | 142 | 101.3 Ų | 101.3 | 56% | 0.557 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.2 | -44.1 | 179 | 178.9 | -108 | 0 | 0 | 0 | 112.1 | L110 R111 A116 L117 Q118 | L110-Y114 WeakPolarHBondContact O-CB 3.39Å; L110-Y114 PolarHBondContact O-N 2.95Å; R111-Y114 WeakPolarHBondContact O-CB 3.42Å; R111-Y114 PolarHBondContact O-N 3.45Å; R111-Y114 VanDerWaalsContact O-N 3.12Å; Y114-A116 PolarHBondContact O-N 2.69Å; Y114-L117 PolarHBondContact O-N 2.84Å; Y114-Q118 HydrophobicContact CD1-CG 4.28Å; Y114-Q118 VanDerWaalsContact CE1-CD 3.49Å; Y114-Q118 HydrophobicContact CE1-CG 3.89Å; Y114-Q118 HydrophobicContact CE2-CG 4.27Å; Y114-Q118 WeakPolarHBondContact O-CG 3.34Å; Y114-Q118 PolarHBondContact O-N 2.88Å; Y114-Q118 PolarHBondContact OH-NE2 2.97Å |
| 115 | E | 96.4 | Very high | 92.9 | Very high | 123 Ų | 123 | 98.9 Ų | 98.9 | 58% | 0.575 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.1 | -42.2 | 176.1 | -74.5 | -179.6 | -178.2 | 0 | 0 | 112.2 | R111 A112 L117 Q118 C119 | R111-E115 WeakPolarHBondContact O-CG 3.43Å; R111-E115 PolarHBondContact O-N 2.95Å; A112-E115 PolarHBondContact O-N 2.9Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.31Å; E115-Q118 PolarHBondContact O-N 3.45Å; E115-C119 WeakPolarHBondContact O-CB 3.47Å; E115-C119 PolarHBondContact O-N 3.03Å |
| 116 | A | 94.6 | Very high | 91.1 | Very high | 64 Ų | 64 | 97.9 Ų | 97.9 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -59.4 | -44.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | A112 K113 Y114 C119 F120 | A112-A116 WeakPolarHBondContact O-CB 3.45Å; A112-A116 PolarHBondContact O-N 2.98Å; K113-A116 PolarHBondContact O-N 3.37Å; Y114-A116 PolarHBondContact O-N 2.69Å; A116-C119 PolarHBondContact O-N 3.49Å; A116-F120 PolarHBondContact O-N 2.99Å |
| 117 | L | 95.2 | Very high | 88.9 | Confident | 113 Ų | 113 | 94.6 Ų | 94.6 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -65.8 | -42.2 | 177.5 | -174.5 | 62.2 | 0 | 0 | 0 | 112.1 | K113 Y114 E115 F120 A121 | K113-L117 PolarHBondContact O-N 3.36Å; K113-L117 VanDerWaalsContact O-N 3.09Å; Y114-L117 PolarHBondContact O-N 2.84Å; E115-L117 VanDerWaalsContact C-N 3.32Å; E115-L117 PolarHBondContact O-N 3.31Å; L117-F120 PolarHBondContact O-N 2.95Å; L117-A121 WeakPolarHBondContact O-CB 3.41Å; L117-A121 PolarHBondContact O-N 3.32Å |
| 118 | Q | 94.4 | Very high | 86.4 | Confident | 63 Ų | 63 | 96.1 Ų | 96.1 | 29% | 0.294 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -62.3 | -42.4 | 174.4 | -75.4 | -165.1 | -12.6 | 0 | 0 | 112.3 | Y114 E115 F120 A121 R122 | Y114-Q118 HydrophobicContact CD1-CG 4.28Å; Y114-Q118 VanDerWaalsContact CE1-CD 3.49Å; Y114-Q118 HydrophobicContact CE1-CG 3.89Å; Y114-Q118 HydrophobicContact CE2-CG 4.27Å; Y114-Q118 WeakPolarHBondContact O-CG 3.34Å; Y114-Q118 PolarHBondContact O-N 2.88Å; Y114-Q118 PolarHBondContact OH-NE2 2.97Å; E115-Q118 PolarHBondContact O-N 3.45Å; Q118-F120 VanDerWaalsContact C-N 3.33Å; Q118-A121 PolarHBondContact O-N 3.24Å; Q118-R122 WeakPolarHBondContact O-CG 3.29Å; Q118-R122 PolarHBondContact O-N 3.09Å; Q118-R122 VanDerWaalsContact OE1-NH1 3.1Å |
| 119 | C | 91.8 | Very high | 84.1 | Confident | 67 Ų | 67 | 100.9 Ų | 100.9 | 45% | 0.453 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -46.7 | 177.2 | -171.1 | 0 | 0 | 0 | 0 | 110.4 | E115 A116 R122 T123 | E115-C119 WeakPolarHBondContact O-CB 3.47Å; E115-C119 PolarHBondContact O-N 3.03Å; A116-C119 PolarHBondContact O-N 3.49Å; C119-R122 PolarHBondContact O-N 2.91Å; C119-T123 PolarHBondContact O-N 3.48Å; C119-T123 PolarHBondContact O-OG1 3.48Å |
| 120 | F | 90.9 | Very high | 81.7 | Confident | 100 Ų | 100 | 102.2 Ų | 102.2 | 44% | 0.439 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -57.8 | -51.2 | 174.7 | 176.5 | -101.4 | 0 | 0 | 0 | 111.9 | A116 L117 Q118 R122 T123 V124 I140 | A116-F120 PolarHBondContact O-N 2.99Å; L117-F120 PolarHBondContact O-N 2.95Å; Q118-F120 VanDerWaalsContact C-N 3.33Å; F120-R122 VanDerWaalsContact C-N 3.34Å; F120-R122 PolarHBondContact O-N 3.43Å; F120-T123 WeakPolarHBondContact O-CB 3.44Å; F120-T123 PolarHBondContact O-N 3Å; F120-T123 VanDerWaalsContact O-N 3.09Å; F120-V124 HydrophobicContact CD1-CG2 4.29Å; F120-V124 HydrophobicContact CD2-CG2 4.29Å; F120-V124 HydrophobicContact CE1-CG2 3.84Å; F120-V124 HydrophobicContact CE2-CG2 3.85Å; F120-V124 HydrophobicContact CZ-CG2 3.61Å; F120-V124 WeakPolarHBondContact O-CG2 3.45Å; F120-V124 PolarHBondContact O-N 3.33Å; F120-I140 HydrophobicContact CD1-CD1 4.41Å; F120-I140 HydrophobicContact CD2-CD1 4.25Å; F120-I140 HydrophobicContact CE1-CD1 4.13Å; F120-I140 HydrophobicContact CE2-CD1 3.96Å; F120-I140 HydrophobicContact CG-CD1 4.46Å; F120-I140 HydrophobicContact CZ-CD1 3.89Å |
| 121 | A | 90.6 | Very high | 79.1 | Confident | 47 Ų | 47 | 103.3 Ų | 103.3 | 39% | 0.388 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -57 | -45.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L117 Q118 T123 V124 T125 | L117-A121 WeakPolarHBondContact O-CB 3.41Å; L117-A121 PolarHBondContact O-N 3.32Å; Q118-A121 PolarHBondContact O-N 3.24Å; A121-T123 VanDerWaalsContact C-N 3.33Å; A121-T123 PolarHBondContact O-N 3.18Å; A121-V124 PolarHBondContact O-N 3.24Å; A121-T125 WeakPolarHBondContact O-CG2 3.48Å; A121-T125 PolarHBondContact O-N 3.26Å; A121-T125 PolarHBondContact O-OG1 3.36Å; A121-T125 VanDerWaalsContact O-OG1 3.08Å |
| 122 | R | 90.8 | Very high | 76.8 | Confident | 133 Ų | 133 | 99.5 Ų | 99.5 | 50% | 0.502 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.9 | -41.7 | 175.5 | -74.7 | -174.2 | -72.8 | -99.8 | 1.2 | 112.5 | Q118 C119 F120 V124 T125 C126 | Q118-R122 WeakPolarHBondContact O-CG 3.29Å; Q118-R122 PolarHBondContact O-N 3.09Å; Q118-R122 VanDerWaalsContact OE1-NH1 3.1Å; C119-R122 PolarHBondContact O-N 2.91Å; F120-R122 VanDerWaalsContact C-N 3.34Å; F120-R122 PolarHBondContact O-N 3.43Å; R122-V124 VanDerWaalsContact C-N 3.33Å; R122-T125 WeakPolarHBondContact CA-OG1 3.5Å; R122-T125 PolarHBondContact O-N 2.97Å; R122-T125 PolarHBondContact O-OG1 3.03Å; R122-T125 VanDerWaalsContact O-OG1 3.13Å; R122-C126 VanDerWaalsContact O-CB 3.29Å; R122-C126 WeakPolarHBondContact O-CB 3.42Å; R122-C126 PolarHBondContact O-N 2.96Å |
| 123 | T | 81.1 | Confident | 74.5 | Confident | 94 Ų | 94 | 106.3 Ų | 106.3 | 58% | 0.577 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -38.4 | 179.5 | -44.9 | 0 | 0 | 0 | 0 | 111.3 | C119 F120 A121 G127 | C119-T123 PolarHBondContact O-N 3.48Å; C119-T123 PolarHBondContact O-OG1 3.48Å; F120-T123 WeakPolarHBondContact O-CB 3.44Å; F120-T123 PolarHBondContact O-N 3Å; F120-T123 VanDerWaalsContact O-N 3.09Å; A121-T123 VanDerWaalsContact C-N 3.33Å; A121-T123 PolarHBondContact O-N 3.18Å; T123-G127 PolarHBondContact O-N 3.13Å |
| 124 | V | 78.3 | Confident | 72.2 | Confident | 98 Ų | 98 | 106.4 Ų | 106.4 | 59% | 0.594 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -69.8 | -37.5 | 176.2 | 174.1 | 0 | 0 | 0 | 0 | 111.7 | F120 A121 R122 | F120-V124 HydrophobicContact CD1-CG2 4.29Å; F120-V124 HydrophobicContact CD2-CG2 4.29Å; F120-V124 HydrophobicContact CE1-CG2 3.84Å; F120-V124 HydrophobicContact CE2-CG2 3.85Å; F120-V124 HydrophobicContact CZ-CG2 3.61Å; F120-V124 WeakPolarHBondContact O-CG2 3.45Å; F120-V124 PolarHBondContact O-N 3.33Å; A121-V124 PolarHBondContact O-N 3.24Å; R122-V124 VanDerWaalsContact C-N 3.33Å |
| 125 | T | 70.2 | Confident | 70.1 | Confident | 110 Ų | 110 | 103.7 Ų | 103.7 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -80.8 | -21.8 | -179.2 | 55.5 | 0 | 0 | 0 | 0 | 114.4 | A121 R122 | A121-T125 WeakPolarHBondContact O-CG2 3.48Å; A121-T125 PolarHBondContact O-N 3.26Å; A121-T125 PolarHBondContact O-OG1 3.36Å; A121-T125 VanDerWaalsContact O-OG1 3.08Å; R122-T125 WeakPolarHBondContact CA-OG1 3.5Å; R122-T125 PolarHBondContact O-N 2.97Å; R122-T125 PolarHBondContact O-OG1 3.03Å; R122-T125 VanDerWaalsContact O-OG1 3.13Å |
| 126 | C | 58.8 | Low | 68.2 | Low | 106 Ų | 106 | 104.2 Ų | 104.2 | 72% | 0.716 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -113.9 | 11 | -175.2 | -60.2 | 0 | 0 | 0 | 0 | 114.4 | R122 | R122-C126 VanDerWaalsContact O-CB 3.29Å; R122-C126 WeakPolarHBondContact O-CB 3.42Å; R122-C126 PolarHBondContact O-N 2.96Å |
| 127 | G | 52.3 | Low | 66.2 | Low | 43 Ų | 43 | 107.2 Ų | 107.2 | 44% | 0.443 | 65% | 0.648 | S | S | . | * | S | Bend | trans | -66.9 | 143.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 111 | T123 L129 | T123-G127 PolarHBondContact O-N 3.13Å; G127-L129 PolarHBondContact O-N 3.08Å |
| 128 | P | 46.7 | Very low | 64.2 | Low | 121 Ų | 121 | 106.8 Ų | 106.8 | 79% | 0.786 | 65% | 0.654 | S | S | * | * | trans | -60.2 | 129.5 | -170.5 | 24.3 | -33.1 | 0 | 0 | 0 | 111.1 | S130 | P128-S130 PolarHBondContact O-N 3.36Š| ||
| 129 | L | 49.1 | Very low | 62.5 | Low | 183 Ų | 183 | 109.5 Ų | 109.5 | 96% | 0.958 | 68% | 0.675 | S | S | * | * | trans | -64.3 | 68.8 | 158.8 | -68.1 | 166.4 | 0 | 0 | 0 | 108.7 | G127 | G127-L129 PolarHBondContact O-N 3.08Š| ||
| 130 | S | 47.4 | Very low | 60.8 | Low | 77 Ų | 77 | 111.4 Ų | 111.4 | 54% | 0.538 | 68% | 0.68 | S | S | . | * | trans | -105.1 | 109.1 | 165.9 | 177.4 | 0 | 0 | 0 | 0 | 107.2 | P128 G132 | P128-S130 PolarHBondContact O-N 3.36Å; S130-G132 PolarHBondContact O-N 3.38Å | ||
| 131 | P | 44.5 | Very low | 59.2 | Low | 134 Ų | 134 | 112 Ų | 112 | 87% | 0.87 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.5 | 99.2 | 176.6 | 28.6 | -29.8 | 0 | 0 | 0 | 107.9 | ||
| 132 | G | 48.4 | Very low | 57.9 | Low | 69 Ų | 69 | 116.9 Ų | 116.9 | 71% | 0.711 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 155.8 | -2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 118.9 | S130 | S130-G132 PolarHBondContact O-N 3.38Š|
| 133 | K | 49.3 | Very low | 56.3 | Low | 196 Ų | 196 | 117.2 Ų | 117.2 | 85% | 0.852 | 72% | 0.72 | S | S | * | * | trans | -129.8 | 101.6 | 174.3 | -69.8 | -173.4 | 177.9 | 179.6 | 0 | 110.8 | A135 | K133-A135 PolarHBondContact O-N 3.26Š| ||
| 134 | V | 48.8 | Very low | 55.1 | Low | 151 Ų | 151 | 121.8 Ų | 121.8 | 92% | 0.915 | 73% | 0.732 | S | S | * | * | trans | -67.4 | 101.8 | 174.6 | -157.7 | 0 | 0 | 0 | 0 | 107.3 | T136 | V134-T136 PolarHBondContact O-N 3.42Š| ||
| 135 | A | 53.4 | Low | 53.8 | Low | 86 Ų | 86 | 122 Ų | 122 | 71% | 0.711 | 74% | 0.738 | S | S | * | * | trans | -71.2 | 126.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | K133 T137 | K133-A135 PolarHBondContact O-N 3.26Å; A135-T137 PolarHBondContact O-N 3.09Å | ||
| 136 | T | 56 | Low | 53.2 | Low | 133 Ų | 133 | 122.8 Ų | 122.8 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | -54.8 | 108.5 | 175 | 17.1 | 0 | 0 | 0 | 0 | 109.4 | V134 S138 | V134-T136 PolarHBondContact O-N 3.42Å; T136-S138 PolarHBondContact O-N 2.95Å | ||
| 137 | T | 53.1 | Low | 53.1 | Low | 128 Ų | 128 | 123.6 Ų | 123.6 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | -60.7 | 111.8 | 177.6 | -161 | 0 | 0 | 0 | 0 | 108.6 | A135 V139 | A135-T137 PolarHBondContact O-N 3.09Å; T137-V139 PolarHBondContact O-N 2.92Å | ||
| 138 | S | 52.7 | Low | 53 | Low | 103 Ų | 103 | 128.8 Ų | 128.8 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | trans | -81.3 | 107.2 | 175.8 | -64.5 | 0 | 0 | 0 | 0 | 107.4 | T136 I140 | T136-S138 PolarHBondContact O-N 2.95Å; S138-I140 PolarHBondContact O-N 3.38Å | ||
| 139 | V | 59.1 | Low | 53.3 | Low | 121 Ų | 121 | 129.2 Ų | 129.2 | 73% | 0.733 | 75% | 0.749 | S | S | * | * | trans | -66 | 119.3 | 179 | 179.1 | 0 | 0 | 0 | 0 | 108.9 | T137 T141 | T137-V139 PolarHBondContact O-N 2.92Å; V139-T141 PolarHBondContact O-N 3.11Å | ||
| 140 | I | 55 | Low | 53.3 | Low | 107 Ų | 107 | 127.5 Ų | 127.5 | 55% | 0.549 | 74% | 0.741 | S | S | . | * | trans | -84.6 | 107.3 | 172.7 | -61.5 | 169.9 | 0 | 0 | 0 | 107.8 | F120 S138 I142 | F120-I140 HydrophobicContact CD1-CD1 4.41Å; F120-I140 HydrophobicContact CD2-CD1 4.25Å; F120-I140 HydrophobicContact CE1-CD1 4.13Å; F120-I140 HydrophobicContact CE2-CD1 3.96Å; F120-I140 HydrophobicContact CG-CD1 4.46Å; F120-I140 HydrophobicContact CZ-CD1 3.89Å; S138-I140 PolarHBondContact O-N 3.38Å; I140-I142 HydrophobicContact CG2-CG1 4.48Å; I140-I142 PolarHBondContact O-N 3.14Å | ||
| 141 | T | 58.2 | Low | 53.4 | Low | 112 Ų | 112 | 128.8 Ų | 128.8 | 69% | 0.687 | 75% | 0.749 | S | S | * | * | trans | -73.6 | 105.9 | 170.8 | -55.6 | 0 | 0 | 0 | 0 | 109.3 | V139 I143 | V139-T141 PolarHBondContact O-N 3.11Å; T141-I143 HydrophobicContact CG2-CG1 4.15Å; T141-I143 PolarHBondContact O-N 3.04Å; T141-I143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | I | 62 | Low | 53.9 | Low | 150 Ų | 150 | 126.6 Ų | 126.6 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | trans | -77.7 | 98 | 170.4 | -57.4 | 175.6 | 0 | 0 | 0 | 107.7 | I140 K144 | I140-I142 HydrophobicContact CG2-CG1 4.48Å; I140-I142 PolarHBondContact O-N 3.14Å; I142-K144 PolarHBondContact O-N 3.19Å | ||
| 143 | I | 58.6 | Low | 54.1 | Low | 139 Ų | 139 | 129.2 Ų | 129.2 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | -74 | 113.1 | 169.7 | -55 | 174.3 | 0 | 0 | 0 | 107.2 | T141 S145 | T141-I143 HydrophobicContact CG2-CG1 4.15Å; T141-I143 PolarHBondContact O-N 3.04Å; T141-I143 VanDerWaalsContact O-N 3.16Å; I143-S145 PolarHBondContact O-N 2.76Å | ||
| 144 | K | 54.5 | Low | 54.3 | Low | 190 Ų | 190 | 126 Ų | 126 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | trans | -73.5 | 92.4 | 174.6 | -175.7 | 155.8 | -179.1 | 159.5 | 0 | 109.2 | I142 T146 | I142-K144 PolarHBondContact O-N 3.19Å; K144-T146 PolarHBondContact O-N 3.27Å | ||
| 145 | S | 51.6 | Low | 54.2 | Low | 103 Ų | 103 | 124.1 Ų | 124.1 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | -68.2 | 112.6 | 168.4 | -55.7 | 0 | 0 | 0 | 0 | 109 | I143 N147 | I143-S145 PolarHBondContact O-N 2.76Å; S145-N147 PolarHBondContact O-N 3.16Å | ||
| 146 | T | 58 | Low | 53.9 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 78% | 0.779 | 74% | 0.739 | S | S | * | * | trans | -66.3 | 100 | 168.3 | 48.1 | 0 | 0 | 0 | 0 | 108.3 | K144 N148 | K144-T146 PolarHBondContact O-N 3.27Å; T146-N148 PolarHBondContact O-N 3.22Å | ||
| 147 | N | 55.9 | Low | 54 | Low | 122 Ų | 122 | 128.3 Ų | 128.3 | 65% | 0.652 | 74% | 0.738 | S | S | * | * | trans | -76.4 | 100 | 172 | -169.1 | 6.2 | 0 | 0 | 0 | 108.5 | S145 H149 | S145-N147 PolarHBondContact O-N 3.16Å; N147-H149 VanDerWaalsContact C-N 3.29Å; N147-H149 VanDerWaalsContact CG-CD2 3.41Å; N147-H149 PolarHBondContact ND2-CD2 3.23Å; N147-H149 PolarHBondContact ND2-NE2 3.06Å; N147-H149 PolarHBondContact O-N 3.02Å; N147-H149 VanDerWaalsContact O-N 3.11Å; N147-H149 PolarHBondContact OD1-CD2 2.94Å | ||
| 148 | N | 50.9 | Low | 54 | Low | 153 Ų | 153 | 125.9 Ų | 125.9 | 82% | 0.818 | 73% | 0.731 | S | S | * | * | trans | -84.2 | 73.5 | 179 | -152.3 | 42.7 | 0 | 0 | 0 | 109.1 | T146 N150 | T146-N148 PolarHBondContact O-N 3.22Å; N148-N150 PolarHBondContact O-N 3.47Å; N148-N150 VanDerWaalsContact O-N 3.14Å | ||
| 149 | H | 53.5 | Low | 54.5 | Low | 130 Ų | 130 | 127 Ų | 127 | 60% | 0.602 | 74% | 0.735 | S | S | * | * | trans | -72.6 | 102.4 | 166.8 | -82.3 | -67.3 | 0 | 0 | 0 | 108.8 | N147 S151 | N147-H149 VanDerWaalsContact C-N 3.29Å; N147-H149 VanDerWaalsContact CG-CD2 3.41Å; N147-H149 PolarHBondContact ND2-CD2 3.23Å; N147-H149 PolarHBondContact ND2-NE2 3.06Å; N147-H149 PolarHBondContact O-N 3.02Å; N147-H149 VanDerWaalsContact O-N 3.11Å; N147-H149 PolarHBondContact OD1-CD2 2.94Å; H149-S151 VanDerWaalsContact C-N 3.25Å; H149-S151 PolarHBondContact O-N 3.05Å | ||
| 150 | N | 48.3 | Very low | 54.5 | Low | 147 Ų | 147 | 130.6 Ų | 130.6 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | trans | -73.8 | 82.3 | 165.6 | -168 | 60.8 | 0 | 0 | 0 | 108.7 | N148 S152 | N148-N150 PolarHBondContact O-N 3.47Å; N148-N150 VanDerWaalsContact O-N 3.14Å; N150-S152 PolarHBondContact O-N 3.01Å | ||
| 151 | S | 49 | Very low | 54.5 | Low | 103 Ų | 103 | 131.8 Ų | 131.8 | 72% | 0.72 | 78% | 0.777 | S | S | * | * | trans | -79.2 | 100.7 | 167.9 | 53.7 | 0 | 0 | 0 | 0 | 108.7 | H149 | H149-S151 VanDerWaalsContact C-N 3.25Å; H149-S151 PolarHBondContact O-N 3.05Å | ||
| 152 | S | 55.5 | Low | 54.3 | Low | 89 Ų | 89 | 132.8 Ų | 132.8 | 62% | 0.622 | 78% | 0.782 | S | S | * | * | trans | -65.2 | 126.7 | 165.6 | 45.3 | 0 | 0 | 0 | 0 | 109.5 | N150 T154 | N150-S152 PolarHBondContact O-N 3.01Å; S152-T154 PolarHBondContact O-N 3.31Å | ||
| 153 | P | 52.5 | Low | 53.9 | Low | 123 Ų | 123 | 131.9 Ų | 131.9 | 80% | 0.799 | 78% | 0.782 | S | S | * | * | trans | -75.6 | 108.1 | 174.3 | 29.5 | -29.1 | 0 | 0 | 0 | 108.5 | S155 | P153-S155 PolarHBondContact O-N 3.31Š| ||
| 154 | T | 52.8 | Low | 53.6 | Low | 130 Ų | 130 | 131.5 Ų | 131.5 | 80% | 0.798 | 79% | 0.786 | S | S | * | * | trans | -74.5 | 105.7 | 164 | 50.9 | 0 | 0 | 0 | 0 | 108 | S152 F156 | S152-T154 PolarHBondContact O-N 3.31Å; T154-F156 PolarHBondContact O-N 3.28Å | ||
| 155 | S | 48.6 | Very low | 53.5 | Low | 110 Ų | 110 | 127.8 Ų | 127.8 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 112.2 | 171.1 | 35.1 | 0 | 0 | 0 | 0 | 110.1 | P153 S157 | P153-S155 PolarHBondContact O-N 3.31Å; S155-S157 PolarHBondContact O-N 3.42Å | ||
| 156 | F | 46.6 | Very low | 53.7 | Low | 196 Ų | 196 | 129.5 Ų | 129.5 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | -87.6 | 101.7 | 171.5 | -159.6 | -93.4 | 0 | 0 | 0 | 108.3 | T154 | T154-F156 PolarHBondContact O-N 3.28Š| ||
| 157 | S | 56.7 | Low | 53.3 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 79% | 0.789 | S | S | * | * | trans | -92.1 | 113.5 | 168 | -69.6 | 0 | 0 | 0 | 0 | 108.8 | S155 | S155-S157 PolarHBondContact O-N 3.42Š| ||
| 158 | A | 53.1 | Low | 53.1 | Low | 77 Ų | 77 | 130.2 Ų | 130.2 | 64% | 0.636 | 80% | 0.799 | S | S | * | * | trans | -81.9 | 138.2 | 169.7 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 159 | P | 64.2 | Low | 53.3 | Low | 125 Ų | 125 | 128.3 Ų | 128.3 | 81% | 0.812 | 80% | 0.798 | S | S | * | * | trans | -83.6 | 139.8 | 172.7 | 32.3 | -29.8 | 0 | 0 | 0 | 110.9 | ||||
| 160 | S | 59.2 | Low | 53.3 | Low | 198 Ų | 198 | 128.2 Ų | 128.2 | 100% | 1.385 | 82% | 0.815 | S | S | * | * | trans | -79.9 | 0 | 166 | -58.6 | 0 | 0 | 0 | 0 | 111.9 |
Retrieved 160 of 160 residues in 71.5 ms
(Link to these results)