| 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 | A | 42.6 | Very low | 64.7 | Low | 156 Ų | 156 | 132.1 Ų | 132.1 | 100% | 1.289 | 73% | 0.726 | S | S | * | * | 0 | 109.6 | 0 | 0 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 2 | M | 49.1 | Very low | 66.1 | Low | 198 Ų | 198 | 125.7 Ų | 125.7 | 98% | 0.975 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 122 | 176.2 | -68.9 | 173.4 | 100 | 0 | 0 | 107.1 | ||
| 3 | S | 62 | Low | 67.2 | Low | 106 Ų | 106 | 123.1 Ų | 123.1 | 74% | 0.741 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 139.9 | 177.1 | 47.8 | 0 | 0 | 0 | 0 | 110.4 | P5 | S3-P5 WeakPolarHBondContact O-CD 3.36Š|
| 4 | D | 62.3 | Low | 68.1 | Low | 74 Ų | 74 | 119.6 Ų | 119.6 | 40% | 0.396 | 66% | 0.664 | S | S | . | * | P | Polyproline II helix | trans | -55 | 120.5 | 173.1 | -171.5 | -25.9 | 0 | 0 | 0 | 109 | R6 N7 | D4-R6 PolarHBondContact O-N 2.79Å; D4-R6 WeakPolarHBondContact OD1-CB 3.49Å; D4-R6 IonicContact OD1-CZ 3.6Å; D4-R6 PolarHBondContact OD1-N 2.8Å; D4-R6 VanDerWaalsContact OD1-N 3.14Å; D4-R6 IonicContact OD1-NE 3.56Å; D4-R6 PolarHBondContact OD1-NE 2.81Å; D4-R6 IonicContact OD1-NH2 2.81Å; D4-R6 IonicContact OD2-CZ 2.79Å; D4-R6 IonicContact OD2-NE 3.57Å; D4-R6 IonicContact OD2-NH2 3.74Å; D4-R6 PolarHBondContact OD2-NH2 3Å; D4-N7 PolarHBondContact O-N 3.14Å |
| 5 | P | 59.3 | Low | 69.1 | Low | 104 Ų | 104 | 123.5 Ų | 123.5 | 68% | 0.675 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | -5.6 | -176.3 | 24.6 | -33.1 | 0 | 0 | 0 | 114.1 | S3 I8 | S3-P5 WeakPolarHBondContact O-CD 3.36Å; P5-I8 WeakPolarHBondContact O-CD1 3.48Å |
| 6 | R | 63 | Low | 70.1 | Confident | 211 Ų | 211 | 119.8 Ų | 119.8 | 80% | 0.796 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -1.9 | 174.1 | -62.3 | 171 | -66.8 | 176.4 | 4.6 | 113.8 | D4 | D4-R6 PolarHBondContact O-N 2.79Å; D4-R6 WeakPolarHBondContact OD1-CB 3.49Å; D4-R6 IonicContact OD1-CZ 3.6Å; D4-R6 PolarHBondContact OD1-N 2.8Å; D4-R6 VanDerWaalsContact OD1-N 3.14Å; D4-R6 IonicContact OD1-NE 3.56Å; D4-R6 PolarHBondContact OD1-NE 2.81Å; D4-R6 IonicContact OD1-NH2 2.81Å; D4-R6 IonicContact OD2-CZ 2.79Å; D4-R6 IonicContact OD2-NE 3.57Å; D4-R6 IonicContact OD2-NH2 3.74Å; D4-R6 PolarHBondContact OD2-NH2 3Å |
| 7 | N | 65.1 | Low | 71.1 | Confident | 147 Ų | 147 | 115.7 Ų | 115.7 | 79% | 0.786 | 65% | 0.647 | S | S | * | * | trans | -112.9 | 50.3 | -176.7 | -138.6 | 5 | 0 | 0 | 0 | 109.9 | D4 | D4-N7 PolarHBondContact O-N 3.14Š| ||
| 8 | I | 73.3 | Confident | 72.2 | Confident | 101 Ų | 101 | 112.4 Ų | 112.4 | 52% | 0.518 | 63% | 0.633 | S | S | . | * | trans | -92.6 | 128.1 | 176.9 | -63.2 | 174.2 | 0 | 0 | 0 | 107.4 | P5 E10 I13 | P5-I8 WeakPolarHBondContact O-CD1 3.48Å; I8-E10 PolarHBondContact O-N 3.34Å; I8-E10 VanDerWaalsContact O-N 3.12Å; I8-I13 HydrophobicContact CG2-CD1 3.33Å | ||
| 9 | D | 79.4 | Confident | 72.8 | Confident | 103 Ų | 103 | 110.9 Ų | 110.9 | 55% | 0.551 | 64% | 0.636 | S | S | * | * | trans | -79.9 | 90.4 | 175.4 | -174.1 | -14 | 0 | 0 | 0 | 109.3 | D11 A12 I13 | D9-D11 VanDerWaalsContact C-N 3.27Å; D9-D11 PolarHBondContact O-N 2.93Å; D9-D11 PolarHBondContact OD1-N 3.42Å; D9-A12 HydrophobicContact CB-CB 3.98Å; D9-A12 VanDerWaalsContact CG-CB 3.48Å; D9-A12 PolarHBondContact O-N 2.99Å; D9-A12 PolarHBondContact OD1-N 3.42Å; D9-A12 VanDerWaalsContact OD1-N 3.1Å; D9-I13 PolarHBondContact O-N 2.95Å | ||
| 10 | E | 75.9 | Confident | 73.4 | Confident | 145 Ų | 145 | 113.8 Ų | 113.8 | 68% | 0.678 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -60.3 | -36.7 | -177.4 | -63.7 | 176.7 | -179.7 | 0 | 0 | 111.9 | I8 A12 I13 L14 | I8-E10 PolarHBondContact O-N 3.34Å; I8-E10 VanDerWaalsContact O-N 3.12Å; E10-A12 PolarHBondContact O-N 3.23Å; E10-I13 PolarHBondContact O-N 2.9Å; E10-L14 WeakPolarHBondContact O-CG 3.39Å; E10-L14 PolarHBondContact O-N 3.43Å |
| 11 | D | 79.2 | Confident | 73.9 | Confident | 108 Ų | 108 | 113 Ų | 113 | 58% | 0.578 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -68.8 | -35.4 | 179.7 | -77 | -29.5 | 0 | 0 | 0 | 112.4 | D9 K15 | D9-D11 VanDerWaalsContact C-N 3.27Å; D9-D11 PolarHBondContact O-N 2.93Å; D9-D11 PolarHBondContact OD1-N 3.42Å; D11-K15 WeakPolarHBondContact O-CG 3.49Å; D11-K15 PolarHBondContact O-N 3.47Å |
| 12 | A | 82.4 | Confident | 75.9 | Confident | 55 Ų | 55 | 108.8 Ų | 108.8 | 46% | 0.455 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.1 | -36.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | D9 E10 G16 | D9-A12 HydrophobicContact CB-CB 3.98Å; D9-A12 VanDerWaalsContact CG-CB 3.48Å; D9-A12 PolarHBondContact O-N 2.99Å; D9-A12 PolarHBondContact OD1-N 3.42Å; D9-A12 VanDerWaalsContact OD1-N 3.1Å; E10-A12 PolarHBondContact O-N 3.23Å; A12-G16 PolarHBondContact O-N 3.05Å |
| 13 | I | 79.8 | Confident | 77.5 | Confident | 92 Ų | 92 | 105 Ų | 105 | 47% | 0.472 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69 | -47.9 | 176.9 | -66.1 | 173.9 | 0 | 0 | 0 | 110.3 | I8 D9 E10 K15 G16 L17 | I8-I13 HydrophobicContact CG2-CD1 3.33Å; D9-I13 PolarHBondContact O-N 2.95Å; E10-I13 PolarHBondContact O-N 2.9Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.3Å; I13-G16 PolarHBondContact O-N 3.02Å; I13-L17 PolarHBondContact O-N 2.92Å |
| 14 | L | 79.9 | Confident | 78.4 | Confident | 74 Ų | 74 | 105.5 Ų | 105.5 | 39% | 0.387 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -60.3 | -37.1 | -179.7 | -72.7 | 171.8 | 0 | 0 | 0 | 112.7 | E10 G16 L17 L22 L25 | E10-L14 WeakPolarHBondContact O-CG 3.39Å; E10-L14 PolarHBondContact O-N 3.43Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.06Å; L14-L17 HydrophobicContact CD2-CD1 4.22Å; L14-L17 PolarHBondContact O-N 3.28Å; L14-L22 HydrophobicContact CD2-CD2 4.13Å; L14-L25 HydrophobicContact CD2-CD2 3.81Å |
| 15 | K | 83.8 | Confident | 79.4 | Confident | 178 Ų | 178 | 105 Ų | 105 | 77% | 0.774 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -69.7 | -22 | 174.9 | -75 | 172.8 | -173.9 | 163.2 | 0 | 113.8 | D11 I13 | D11-K15 WeakPolarHBondContact O-CG 3.49Å; D11-K15 PolarHBondContact O-N 3.47Å; I13-K15 VanDerWaalsContact C-N 3.29Å; I13-K15 PolarHBondContact O-N 3.3Å |
| 16 | G | 84.4 | Confident | 80.4 | Confident | 64 Ų | 64 | 105.6 Ų | 105.6 | 66% | 0.66 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -85.2 | -15.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.1 | A12 I13 L14 | A12-G16 PolarHBondContact O-N 3.05Å; I13-G16 PolarHBondContact O-N 3.02Å; L14-G16 VanDerWaalsContact C-N 3.27Å; L14-G16 PolarHBondContact O-N 3.06Å |
| 17 | L | 86.6 | Confident | 81.1 | Confident | 51 Ų | 51 | 100.9 Ų | 100.9 | 27% | 0.267 | 53% | 0.532 | S | S | . | . | S | Bend | trans | -76.8 | 139.2 | -179.4 | -66.4 | 172.6 | 0 | 0 | 0 | 111.3 | I13 L14 E21 L22 L25 | I13-L17 PolarHBondContact O-N 2.92Å; L14-L17 HydrophobicContact CD2-CD1 4.22Å; L14-L17 PolarHBondContact O-N 3.28Å; L17-E21 HydrophobicContact CB-CB 4.2Å; L17-E21 HydrophobicContact CD2-CB 3.97Å; L17-L22 HydrophobicContact CB-CD1 4.47Å; L17-L22 HydrophobicContact CB-CD2 4.17Å; L17-L22 HydrophobicContact CB-CG 3.83Å; L17-L22 HydrophobicContact CD1-CD2 4.03Å; L17-L22 HydrophobicContact CD1-CG 4.46Å; L17-L25 HydrophobicContact CD1-CD2 3.93Å |
| 18 | S | 90.8 | Very high | 81.7 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | trans | -70.8 | 160 | 170.5 | 68.6 | 0 | 0 | 0 | 0 | 111.1 | K20 E21 L22 | S18-K20 PolarHBondContact O-N 3.19Å; S18-K20 VanDerWaalsContact O-N 3.09Å; S18-E21 VanDerWaalsContact CB-OE2 3.3Å; S18-E21 WeakPolarHBondContact CB-OE2 3.37Å; S18-E21 PolarHBondContact N-OE2 3.33Å; S18-E21 PolarHBondContact O-N 3.48Å; S18-E21 VanDerWaalsContact OG-CD 3.28Å; S18-E21 WeakPolarHBondContact OG-CG 3.48Å; S18-E21 PolarHBondContact OG-OE2 3.27Å; S18-L22 PolarHBondContact O-N 3.35Å | ||
| 19 | A | 85.2 | Confident | 81.9 | Confident | 84 Ų | 84 | 99.1 Ų | 99.1 | 69% | 0.694 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -55.5 | -31.3 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E23 | A19-E23 PolarHBondContact O-N 3Å; A19-E23 VanDerWaalsContact O-N 3.12Å |
| 20 | K | 83.6 | Confident | 81.5 | Confident | 167 Ų | 167 | 98.4 Ų | 98.4 | 73% | 0.726 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.7 | -38.1 | 176 | -72.5 | -175.6 | 176 | -177.5 | 0 | 112.7 | S18 E23 Q24 | S18-K20 PolarHBondContact O-N 3.19Å; S18-K20 VanDerWaalsContact O-N 3.09Å; K20-E23 PolarHBondContact O-N 3.3Å; K20-Q24 PolarHBondContact O-N 3.18Å |
| 21 | E | 84.1 | Confident | 81.1 | Confident | 97 Ų | 97 | 96.7 Ų | 96.7 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.5 | -33 | 178.9 | -68 | 162.6 | 140.5 | 0 | 0 | 111.2 | L17 S18 Q24 L25 | L17-E21 HydrophobicContact CB-CB 4.2Å; L17-E21 HydrophobicContact CD2-CB 3.97Å; S18-E21 VanDerWaalsContact CB-OE2 3.3Å; S18-E21 WeakPolarHBondContact CB-OE2 3.37Å; S18-E21 PolarHBondContact N-OE2 3.33Å; S18-E21 PolarHBondContact O-N 3.48Å; S18-E21 VanDerWaalsContact OG-CD 3.28Å; S18-E21 WeakPolarHBondContact OG-CG 3.48Å; S18-E21 PolarHBondContact OG-OE2 3.27Å; E21-Q24 PolarHBondContact O-N 2.88Å; E21-L25 WeakPolarHBondContact O-CB 3.43Å; E21-L25 PolarHBondContact O-N 3.35Å |
| 22 | L | 84.4 | Confident | 80.4 | Confident | 69 Ų | 69 | 98.7 Ų | 98.7 | 36% | 0.361 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.3 | -44.3 | 169.9 | -76.4 | 164.7 | 0 | 0 | 0 | 112 | L14 L17 S18 Q24 L25 E26 | L14-L22 HydrophobicContact CD2-CD2 4.13Å; L17-L22 HydrophobicContact CB-CD1 4.47Å; L17-L22 HydrophobicContact CB-CD2 4.17Å; L17-L22 HydrophobicContact CB-CG 3.83Å; L17-L22 HydrophobicContact CD1-CD2 4.03Å; L17-L22 HydrophobicContact CD1-CG 4.46Å; S18-L22 PolarHBondContact O-N 3.35Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.07Å; L22-L25 PolarHBondContact O-N 2.83Å; L22-E26 WeakPolarHBondContact O-CB 3.22Å; L22-E26 PolarHBondContact O-N 3.4Å |
| 23 | E | 82.6 | Confident | 79.7 | Confident | 117 Ų | 117 | 99.1 Ų | 99.1 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -37.9 | 175.7 | -170 | 179.2 | -174.5 | 0 | 0 | 111.3 | A19 K20 Y27 K50 | A19-E23 PolarHBondContact O-N 3Å; A19-E23 VanDerWaalsContact O-N 3.12Å; K20-E23 PolarHBondContact O-N 3.3Å; E23-Y27 WeakPolarHBondContact O-CB 3.4Å; E23-Y27 PolarHBondContact O-N 3.19Å; E23-K50 IonicContact OE1-NZ 3.84Å |
| 24 | Q | 82.3 | Confident | 78.9 | Confident | 118 Ų | 118 | 99.7 Ų | 99.7 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.8 | -37.6 | 176.3 | -173.8 | 162.7 | -7.7 | 0 | 0 | 113 | K20 E21 L22 Y27 E28 | K20-Q24 PolarHBondContact O-N 3.18Å; E21-Q24 PolarHBondContact O-N 2.88Å; L22-Q24 VanDerWaalsContact C-N 3.28Å; L22-Q24 PolarHBondContact O-N 3.07Å; Q24-Y27 VanDerWaalsContact O-CB 3.31Å; Q24-Y27 WeakPolarHBondContact O-CB 3.32Å; Q24-Y27 PolarHBondContact O-N 3.39Å; Q24-E28 PolarHBondContact O-N 2.83Å |
| 25 | L | 82.4 | Confident | 78.1 | Confident | 62 Ų | 62 | 103.2 Ų | 103.2 | 33% | 0.325 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.2 | -41.5 | 174.9 | -176.7 | 65.4 | 0 | 0 | 0 | 111.4 | L14 L17 E21 L22 Y27 E28 L29 | L14-L25 HydrophobicContact CD2-CD2 3.81Å; L17-L25 HydrophobicContact CD1-CD2 3.93Å; E21-L25 WeakPolarHBondContact O-CB 3.43Å; E21-L25 PolarHBondContact O-N 3.35Å; L22-L25 PolarHBondContact O-N 2.83Å; L25-Y27 VanDerWaalsContact C-N 3.29Å; L25-Y27 PolarHBondContact O-N 3.33Å; L25-E28 PolarHBondContact O-N 3.46Å; L25-L29 HydrophobicContact CG-CD1 4.22Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 2.92Å |
| 26 | E | 81 | Confident | 77.3 | Confident | 117 Ų | 117 | 96.7 Ų | 96.7 | 55% | 0.547 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.1 | -38.2 | 172.8 | -173.1 | 177.5 | -172.4 | 0 | 0 | 111.5 | L22 Q30 | L22-E26 WeakPolarHBondContact O-CB 3.22Å; L22-E26 PolarHBondContact O-N 3.4Å; E26-Q30 PolarHBondContact O-N 3.33Å |
| 27 | Y | 77.3 | Confident | 76.4 | Confident | 113 Ų | 113 | 96.7 Ų | 96.7 | 44% | 0.443 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -58.6 | -50.2 | 173.9 | 179.2 | -86.6 | 0 | 0 | 0 | 111.7 | E23 Q24 L25 E31 R46 | E23-Y27 WeakPolarHBondContact O-CB 3.4Å; E23-Y27 PolarHBondContact O-N 3.19Å; Q24-Y27 VanDerWaalsContact O-CB 3.31Å; Q24-Y27 WeakPolarHBondContact O-CB 3.32Å; Q24-Y27 PolarHBondContact O-N 3.39Å; L25-Y27 VanDerWaalsContact C-N 3.29Å; L25-Y27 PolarHBondContact O-N 3.33Å; Y27-E31 HydrophobicContact CE1-CG 4.19Å; Y27-E31 WeakPolarHBondContact CE1-OE1 3.21Å; Y27-E31 VanDerWaalsContact CZ-OE1 3.24Å; Y27-E31 PolarHBondContact O-N 3.5Å; Y27-E31 PolarHBondContact OH-OE1 3.31Å; Y27-R46 PolarHBondContact O-NH1 3.35Å; Y27-R46 PolarHBondContact O-NH2 2.92Å |
| 28 | E | 77.2 | Confident | 75.7 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 45% | 0.449 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.4 | -40.5 | -178 | -71.2 | 177.3 | -170.9 | 0 | 0 | 112.6 | Q24 L25 Q30 E31 M32 | Q24-E28 PolarHBondContact O-N 2.83Å; L25-E28 PolarHBondContact O-N 3.46Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.92Å; E28-E31 PolarHBondContact O-N 3.29Å; E28-E31 VanDerWaalsContact O-N 3.07Å; E28-M32 WeakPolarHBondContact O-CG 3.4Å; E28-M32 PolarHBondContact O-N 3.48Å |
| 29 | L | 77 | Confident | 74.5 | Confident | 115 Ų | 115 | 103 Ų | 103 | 60% | 0.602 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.5 | -39.7 | 178.3 | -80.6 | 171.6 | 0 | 0 | 0 | 112.7 | L25 E31 M32 D33 | L25-L29 HydrophobicContact CG-CD1 4.22Å; L25-L29 WeakPolarHBondContact O-CB 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.39Å; L25-L29 PolarHBondContact O-N 2.92Å; L29-E31 VanDerWaalsContact C-N 3.34Å; L29-M32 PolarHBondContact O-N 3.38Å; L29-D33 PolarHBondContact O-N 3.1Å |
| 30 | Q | 70.9 | Confident | 73.8 | Confident | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.9 | -22.9 | 177 | -76.6 | 176.7 | 4.7 | 0 | 0 | 113.1 | E26 E28 N36 R46 | E26-Q30 PolarHBondContact O-N 3.33Å; E28-Q30 VanDerWaalsContact C-N 3.31Å; E28-Q30 PolarHBondContact O-N 2.92Å; Q30-N36 PolarHBondContact O-ND2 3.37Å; Q30-R46 VanDerWaalsContact OE1-CZ 3.28Å |
| 31 | E | 67.9 | Low | 73 | Confident | 109 Ų | 109 | 98.8 Ų | 98.8 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -79.4 | -29.5 | 173.4 | -69 | -162.7 | 157.2 | 0 | 0 | 111 | Y27 E28 L29 D33 | Y27-E31 HydrophobicContact CE1-CG 4.19Å; Y27-E31 WeakPolarHBondContact CE1-OE1 3.21Å; Y27-E31 VanDerWaalsContact CZ-OE1 3.24Å; Y27-E31 PolarHBondContact O-N 3.5Å; Y27-E31 PolarHBondContact OH-OE1 3.31Å; E28-E31 PolarHBondContact O-N 3.29Å; E28-E31 VanDerWaalsContact O-N 3.07Å; L29-E31 VanDerWaalsContact C-N 3.34Å; E31-D33 VanDerWaalsContact C-N 3.27Å |
| 32 | M | 64.1 | Low | 72 | Confident | 149 Ų | 149 | 97.3 Ų | 97.3 | 73% | 0.734 | 53% | 0.525 | S | S | * | . | S | Bend | trans | -84.7 | 2.3 | 177.6 | -66.6 | -95.5 | 58.3 | 0 | 0 | 113.5 | E28 L29 P34 | E28-M32 WeakPolarHBondContact O-CG 3.4Å; E28-M32 PolarHBondContact O-N 3.48Å; L29-M32 PolarHBondContact O-N 3.38Å; M32-P34 WeakPolarHBondContact O-CD 3.21Å |
| 33 | D | 68.4 | Low | 71 | Confident | 65 Ų | 65 | 100.5 Ų | 100.5 | 35% | 0.348 | 54% | 0.54 | S | S | . | . | trans | -61.9 | 119 | 177.2 | -171.1 | -21 | 0 | 0 | 0 | 110.5 | L29 E31 E35 N36 | L29-D33 PolarHBondContact O-N 3.1Å; E31-D33 VanDerWaalsContact C-N 3.27Å; D33-E35 PolarHBondContact O-N 3.39Å; D33-E35 VanDerWaalsContact O-N 3.14Å; D33-E35 PolarHBondContact OD1-N 3.12Å; D33-N36 HydrophobicContact CB-CB 4.36Å; D33-N36 WeakPolarHBondContact O-CB 3.25Å; D33-N36 PolarHBondContact O-N 3.36Å | ||
| 34 | P | 62.7 | Low | 70.4 | Confident | 104 Ų | 104 | 100.9 Ų | 100.9 | 68% | 0.675 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.6 | -22.9 | 179.6 | 22.4 | -32.1 | 0 | 0 | 0 | 113.6 | M32 | M32-P34 WeakPolarHBondContact O-CD 3.21Š|
| 35 | E | 64.3 | Low | 69.4 | Low | 147 Ų | 147 | 102 Ų | 102 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | -30.5 | 175.3 | -63.1 | -167.4 | 165.2 | 0 | 0 | 112.4 | D33 A37 M38 | D33-E35 PolarHBondContact O-N 3.39Å; D33-E35 VanDerWaalsContact O-N 3.14Å; D33-E35 PolarHBondContact OD1-N 3.12Å; E35-A37 VanDerWaalsContact C-N 3.26Å; E35-A37 PolarHBondContact O-N 3.32Å; E35-M38 WeakPolarHBondContact O-CB 3.48Å; E35-M38 PolarHBondContact O-N 2.7Å; E35-M38 VanDerWaalsContact O-N 3.09Å |
| 36 | N | 66.3 | Low | 68.5 | Low | 42 Ų | 42 | 102.3 Ų | 102.3 | 23% | 0.225 | 54% | 0.538 | C | S | . | . | G | 310 helix | trans | -65.3 | -29.1 | 177.1 | -110.8 | -21.5 | 0 | 0 | 0 | 112.4 | Q30 D33 M38 L39 | Q30-N36 PolarHBondContact O-ND2 3.37Å; D33-N36 HydrophobicContact CB-CB 4.36Å; D33-N36 WeakPolarHBondContact O-CB 3.25Å; D33-N36 PolarHBondContact O-N 3.36Å; N36-M38 PolarHBondContact O-N 3.27Å; N36-L39 PolarHBondContact O-N 2.93Å |
| 37 | A | 66.3 | Low | 67.6 | Low | 64 Ų | 64 | 102.7 Ų | 102.7 | 53% | 0.529 | 54% | 0.544 | S | S | . | . | G | 310 helix | trans | -66.9 | -20.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | E35 R44 | E35-A37 VanDerWaalsContact C-N 3.26Å; E35-A37 PolarHBondContact O-N 3.32Å; A37-R44 PolarHBondContact O-NH2 3.41Å |
| 38 | M | 71.1 | Confident | 67 | Low | 169 Ų | 169 | 105.2 Ų | 105.2 | 83% | 0.833 | 56% | 0.56 | S | S | * | * | G | 310 helix | trans | -87.8 | -14.9 | 179.6 | -61.5 | -70 | -95.8 | 0 | 0 | 112.9 | E35 N36 | E35-M38 WeakPolarHBondContact O-CB 3.48Å; E35-M38 PolarHBondContact O-N 2.7Å; E35-M38 VanDerWaalsContact O-N 3.09Å; N36-M38 PolarHBondContact O-N 3.27Å |
| 39 | L | 66.1 | Low | 66.2 | Low | 72 Ų | 72 | 103.8 Ų | 103.8 | 38% | 0.377 | 56% | 0.558 | S | S | . | * | S | Bend | trans | -80 | 148.6 | 178.1 | -67.6 | 172.7 | 0 | 0 | 0 | 111.6 | N36 M43 R44 | N36-L39 PolarHBondContact O-N 2.93Å; L39-M43 HydrophobicContact CB-CB 4.36Å; L39-R44 HydrophobicContact CB-CG 4.36Å; L39-R44 VanDerWaalsContact O-CZ 3.24Å; L39-R44 PolarHBondContact O-NE 3.08Å; L39-R44 PolarHBondContact O-NH2 3.48Å |
| 40 | P | 69.6 | Low | 66 | Low | 82 Ų | 82 | 107.7 Ų | 107.7 | 53% | 0.532 | 57% | 0.57 | S | S | . | * | trans | -59 | 148.4 | 172 | -24 | 34.1 | 0 | 0 | 0 | 112.3 | G42 M43 R44 | P40-G42 PolarHBondContact O-N 2.9Å; P40-M43 HydrophobicContact CG-SD 4.37Å; P40-M43 PolarHBondContact O-N 3.33Å; P40-R44 PolarHBondContact O-N 3.15Å | ||
| 41 | A | 67.1 | Low | 66.1 | Low | 79 Ų | 79 | 111.6 Ų | 111.6 | 65% | 0.653 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -51.9 | -36.5 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | M43 R44 | A41-M43 VanDerWaalsContact C-N 3.31Å; A41-M43 PolarHBondContact O-N 3.25Å; A41-R44 PolarHBondContact O-N 2.98Å |
| 42 | G | 62.1 | Low | 66.4 | Low | 67 Ų | 67 | 110.8 Ų | 110.8 | 69% | 0.691 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -72 | -19.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | P40 | P40-G42 PolarHBondContact O-N 2.9Š|
| 43 | M | 65.1 | Low | 66.9 | Low | 135 Ų | 135 | 109.8 Ų | 109.8 | 67% | 0.665 | 60% | 0.596 | S | S | * | * | G | 310 helix | trans | -95.3 | -6.3 | 177.1 | -67.5 | -179.8 | 167.8 | 0 | 0 | 112.8 | L39 P40 A41 Q45 | L39-M43 HydrophobicContact CB-CB 4.36Å; P40-M43 HydrophobicContact CG-SD 4.37Å; P40-M43 PolarHBondContact O-N 3.33Å; A41-M43 VanDerWaalsContact C-N 3.31Å; A41-M43 PolarHBondContact O-N 3.25Å; M43-Q45 VanDerWaalsContact C-N 3.33Å |
| 44 | R | 68.9 | Low | 67.1 | Low | 126 Ų | 126 | 113.7 Ų | 113.7 | 48% | 0.475 | 62% | 0.623 | S | S | . | * | S | Bend | trans | -79.6 | -18.3 | 172.9 | -59.6 | 178.4 | -168.4 | -167.2 | -6.6 | 112.6 | A37 L39 P40 A41 R46 | A37-R44 PolarHBondContact O-NH2 3.41Å; L39-R44 HydrophobicContact CB-CG 4.36Å; L39-R44 VanDerWaalsContact O-CZ 3.24Å; L39-R44 PolarHBondContact O-NE 3.08Å; L39-R44 PolarHBondContact O-NH2 3.48Å; P40-R44 PolarHBondContact O-N 3.15Å; A41-R44 PolarHBondContact O-N 2.98Å; R44-R46 PolarHBondContact O-N 3.19Å |
| 45 | Q | 62.1 | Low | 67.8 | Low | 140 Ų | 140 | 111.2 Ų | 111.2 | 65% | 0.654 | 62% | 0.616 | S | S | * | * | trans | -78.4 | 116.6 | -176.3 | -172.1 | 171.1 | -0.3 | 0 | 0 | 109.6 | M43 | M43-Q45 VanDerWaalsContact C-N 3.33Š| ||
| 46 | R | 63.5 | Low | 68.5 | Low | 70 Ų | 70 | 110.4 Ų | 110.4 | 26% | 0.264 | 62% | 0.623 | S | S | . | * | trans | -67.7 | 155.7 | 174.1 | -66 | -165.9 | -162.3 | 156.3 | 29.4 | 111.4 | Y27 Q30 R44 Q48 | Y27-R46 PolarHBondContact O-NH1 3.35Å; Y27-R46 PolarHBondContact O-NH2 2.92Å; Q30-R46 VanDerWaalsContact OE1-CZ 3.28Å; R44-R46 PolarHBondContact O-N 3.19Å; R46-Q48 PolarHBondContact O-N 3.28Å; R46-Q48 VanDerWaalsContact O-N 3.11Å | ||
| 47 | D | 62.4 | Low | 69.2 | Low | 125 Ų | 125 | 115.9 Ų | 115.9 | 67% | 0.668 | 65% | 0.646 | S | S | * | * | trans | -65.6 | 107.5 | 168.4 | -166.3 | -6.4 | 0 | 0 | 0 | 109.6 | T49 | D47-T49 PolarHBondContact O-N 3.47Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.49Å; D47-T49 PolarHBondContact OD1-N 3.25Å | ||
| 48 | Q | 63.4 | Low | 70 | Confident | 165 Ų | 165 | 117.4 Ų | 117.4 | 77% | 0.771 | 65% | 0.645 | S | S | * | * | trans | -82.8 | 3.8 | -177.1 | -63.8 | 179.2 | 28.3 | 0 | 0 | 112.5 | R46 | R46-Q48 PolarHBondContact O-N 3.28Å; R46-Q48 VanDerWaalsContact O-N 3.11Å | ||
| 49 | T | 61.8 | Low | 70.7 | Confident | 67 Ų | 67 | 117.3 Ų | 117.3 | 41% | 0.411 | 64% | 0.635 | S | S | . | * | trans | -112.2 | 128 | -177.9 | 165.7 | 0 | 0 | 0 | 0 | 112.6 | D47 K51 | D47-T49 PolarHBondContact O-N 3.47Å; D47-T49 WeakPolarHBondContact OD1-CG2 3.49Å; D47-T49 PolarHBondContact OD1-N 3.25Å; T49-K51 PolarHBondContact O-N 2.81Å; T49-K51 WeakPolarHBondContact OG1-CA 3.09Å; T49-K51 WeakPolarHBondContact OG1-CB 3.45Å; T49-K51 WeakPolarHBondContact OG1-CG 3.46Å; T49-K51 PolarHBondContact OG1-N 3.5Å | ||
| 50 | K | 71.2 | Confident | 71.8 | Confident | 197 Ų | 197 | 120.4 Ų | 120.4 | 86% | 0.857 | 65% | 0.648 | S | S | * | * | trans | -77.9 | -1.6 | 167.6 | -60.5 | -173 | 178.5 | -168.6 | 0 | 112.6 | E23 | E23-K50 IonicContact OE1-NZ 3.84Š| ||
| 51 | K | 73.9 | Confident | 72.5 | Confident | 169 Ų | 169 | 118.9 Ų | 118.9 | 74% | 0.735 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -81.9 | 129.7 | -180 | -54.7 | 178.1 | -179.7 | 177.1 | 0 | 109.2 | T49 | T49-K51 PolarHBondContact O-N 2.81Å; T49-K51 WeakPolarHBondContact OG1-CA 3.09Å; T49-K51 WeakPolarHBondContact OG1-CB 3.45Å; T49-K51 WeakPolarHBondContact OG1-CG 3.46Å; T49-K51 PolarHBondContact OG1-N 3.5Å |
| 52 | S | 74.8 | Confident | 73.4 | Confident | 92 Ų | 92 | 118.6 Ų | 118.6 | 64% | 0.643 | 63% | 0.629 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 144.5 | 169.3 | 52 | 0 | 0 | 0 | 0 | 110.6 | T54 | S52-T54 PolarHBondContact O-N 2.77Å; S52-T54 VanDerWaalsContact O-N 3.1Å |
| 53 | P | 72.8 | Confident | 74.6 | Confident | 128 Ų | 128 | 118.9 Ų | 118.9 | 83% | 0.831 | 61% | 0.614 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 119.1 | 177.6 | -25.8 | 33.5 | 0 | 0 | 0 | 111.2 | G55 | P53-G55 PolarHBondContact O-N 3.14Š|
| 54 | T | 73.1 | Confident | 75.8 | Confident | 148 Ų | 148 | 118.6 Ų | 118.6 | 91% | 0.908 | 61% | 0.611 | S | S | * | * | trans | -80.3 | 12.6 | -178.3 | 35.7 | 0 | 0 | 0 | 0 | 113.6 | S52 | S52-T54 PolarHBondContact O-N 2.77Å; S52-T54 VanDerWaalsContact O-N 3.1Å | ||
| 55 | G | 78.4 | Confident | 76.7 | Confident | 51 Ų | 51 | 117.9 Ų | 117.9 | 53% | 0.526 | 61% | 0.613 | S | S | . | * | S | Bend | trans | 102.7 | -173.3 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | P53 | P53-G55 PolarHBondContact O-N 3.14Š|
| 56 | P | 79.1 | Confident | 78 | Confident | 130 Ų | 130 | 115.1 Ų | 115.1 | 84% | 0.844 | 60% | 0.603 | S | S | * | * | S | Bend | trans | -63.8 | 152 | 178.2 | 27.5 | -33.4 | 0 | 0 | 0 | 111.3 | D58 | P56-D58 PolarHBondContact O-N 3.04Š|
| 57 | F | 79.9 | Confident | 79.3 | Confident | 158 Ų | 158 | 118.3 Ų | 118.3 | 69% | 0.693 | 62% | 0.62 | S | S | * | * | trans | -60.1 | 116.8 | -180 | 174.9 | -105.3 | 0 | 0 | 0 | 111.7 | R59 L62 | F57-R59 HydrophobicContact CE1-CB 3.81Å; F57-R59 HydrophobicContact CE1-CG 4.35Å; F57-R59 HydrophobicContact CZ-CB 4.22Å; F57-L62 HydrophobicContact CE2-CD2 3.68Å; F57-L62 HydrophobicContact CZ-CD2 4.01Å | ||
| 58 | D | 83.9 | Confident | 80.7 | Confident | 95 Ų | 95 | 118.3 Ų | 118.3 | 51% | 0.508 | 62% | 0.615 | S | S | . | * | trans | -104.7 | 109.5 | 171.1 | -172.9 | -20 | 0 | 0 | 0 | 109.9 | P56 E60 A61 L62 | P56-D58 PolarHBondContact O-N 3.04Å; D58-E60 PolarHBondContact O-N 3.01Å; D58-E60 PolarHBondContact OD1-N 3.27Å; D58-A61 HydrophobicContact CB-CB 3.99Å; D58-A61 PolarHBondContact OD1-N 2.89Å; D58-L62 PolarHBondContact O-N 3.49Å | ||
| 59 | R | 84.8 | Confident | 82 | Confident | 168 Ų | 168 | 115.3 Ų | 115.3 | 63% | 0.634 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -66.3 | -35.5 | -177.5 | -175.3 | 176.8 | 176.4 | -88.5 | -1.7 | 112.5 | F57 L63 | F57-R59 HydrophobicContact CE1-CB 3.81Å; F57-R59 HydrophobicContact CE1-CG 4.35Å; F57-R59 HydrophobicContact CZ-CB 4.22Å; R59-L63 HydrophobicContact CG-CD1 4.25Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 3.42Å; R59-L63 VanDerWaalsContact O-N 3.12Å |
| 60 | E | 89.3 | Confident | 83.1 | Confident | 137 Ų | 137 | 115.6 Ų | 115.6 | 64% | 0.64 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -72.5 | -42.5 | -178.1 | -73.3 | -173.5 | 173.9 | 0 | 0 | 110.8 | D58 L62 L63 Q64 | D58-E60 PolarHBondContact O-N 3.01Å; D58-E60 PolarHBondContact OD1-N 3.27Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.21Å; E60-L63 PolarHBondContact O-N 3.37Å; E60-Q64 WeakPolarHBondContact O-CG 3.48Å; E60-Q64 PolarHBondContact O-N 3.13Å |
| 61 | A | 85.8 | Confident | 83.8 | Confident | 49 Ų | 49 | 113.9 Ų | 113.9 | 41% | 0.405 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -61.1 | -40.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D58 H65 | D58-A61 HydrophobicContact CB-CB 3.99Å; D58-A61 PolarHBondContact OD1-N 2.89Å; A61-H65 WeakPolarHBondContact O-CB 3.49Å; A61-H65 PolarHBondContact O-N 2.99Å |
| 62 | L | 84.6 | Confident | 84.5 | Confident | 73 Ų | 73 | 112.3 Ų | 112.3 | 38% | 0.382 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -63.9 | -45.4 | 175.2 | 177.7 | 62.9 | 0 | 0 | 0 | 111.8 | F57 D58 E60 Q64 H65 L66 | F57-L62 HydrophobicContact CE2-CD2 3.68Å; F57-L62 HydrophobicContact CZ-CD2 4.01Å; D58-L62 PolarHBondContact O-N 3.49Å; E60-L62 VanDerWaalsContact C-N 3.32Å; E60-L62 PolarHBondContact O-N 3.21Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-Q64 PolarHBondContact O-N 3.38Å; L62-H65 PolarHBondContact O-N 2.91Å; L62-L66 HydrophobicContact CD1-CD1 3.99Å; L62-L66 HydrophobicContact CD1-CG 4.02Å; L62-L66 HydrophobicContact CD2-CD1 4.45Å; L62-L66 HydrophobicContact CG-CD1 3.88Å; L62-L66 HydrophobicContact CG-CG 4.33Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 3.44Å |
| 63 | L | 86.8 | Confident | 84.9 | Confident | 73 Ų | 73 | 114.3 Ų | 114.3 | 38% | 0.382 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -61.7 | -43.1 | 179.6 | -74.6 | 169.3 | 0 | 0 | 0 | 111.7 | R59 E60 H65 L66 E67 | R59-L63 HydrophobicContact CG-CD1 4.25Å; R59-L63 WeakPolarHBondContact O-CG 3.33Å; R59-L63 PolarHBondContact O-N 3.42Å; R59-L63 VanDerWaalsContact O-N 3.12Å; E60-L63 PolarHBondContact O-N 3.37Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H65 PolarHBondContact O-N 2.81Å; L63-L66 PolarHBondContact O-N 3.12Å; L63-E67 WeakPolarHBondContact O-CB 3.41Å; L63-E67 WeakPolarHBondContact O-CG 3.3Å; L63-E67 PolarHBondContact O-N 3.46Å |
| 64 | Q | 91.8 | Very high | 85.4 | Confident | 130 Ų | 130 | 113 Ų | 113 | 61% | 0.607 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.5 | -39.3 | 175.9 | -71 | 176.4 | 10.3 | 0 | 0 | 112.4 | E60 L62 K68 | E60-Q64 WeakPolarHBondContact O-CG 3.48Å; E60-Q64 PolarHBondContact O-N 3.13Å; L62-Q64 VanDerWaalsContact C-N 3.34Å; L62-Q64 PolarHBondContact O-N 3.38Å; Q64-K68 VanDerWaalsContact O-CB 3.31Å; Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 2.82Å |
| 65 | H | 88.3 | Confident | 85.4 | Confident | 110 Ų | 110 | 113.6 Ų | 113.6 | 51% | 0.509 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63 | -47 | 175.6 | 178.5 | 56.4 | 0 | 0 | 0 | 111.6 | A61 L62 L63 K68 E69 | A61-H65 WeakPolarHBondContact O-CB 3.49Å; A61-H65 PolarHBondContact O-N 2.99Å; L62-H65 PolarHBondContact O-N 2.91Å; L63-H65 VanDerWaalsContact C-N 3.34Å; L63-H65 PolarHBondContact O-N 2.81Å; H65-K68 PolarHBondContact O-N 2.7Å; H65-E69 IonicContact NE2-OE2 3.7Å; H65-E69 WeakPolarHBondContact O-CB 3.4Å; H65-E69 PolarHBondContact O-N 2.87Å |
| 66 | L | 88.4 | Confident | 85.3 | Confident | 83 Ų | 83 | 121.3 Ų | 121.3 | 44% | 0.435 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -66.5 | -39.2 | 179.7 | -68.4 | 173.3 | 0 | 0 | 0 | 112.3 | L62 L63 K68 E69 A70 | L62-L66 HydrophobicContact CD1-CD1 3.99Å; L62-L66 HydrophobicContact CD1-CG 4.02Å; L62-L66 HydrophobicContact CD2-CD1 4.45Å; L62-L66 HydrophobicContact CG-CD1 3.88Å; L62-L66 HydrophobicContact CG-CG 4.33Å; L62-L66 VanDerWaalsContact O-CG 3.31Å; L62-L66 WeakPolarHBondContact O-CG 3.4Å; L62-L66 PolarHBondContact O-N 3.44Å; L63-L66 PolarHBondContact O-N 3.12Å; L66-K68 VanDerWaalsContact C-N 3.35Å; L66-E69 PolarHBondContact O-N 2.93Å; L66-A70 VanDerWaalsContact O-CB 3.23Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3Å |
| 67 | E | 90.6 | Very high | 85 | Confident | 137 Ų | 137 | 123.7 Ų | 123.7 | 64% | 0.64 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -63.1 | -42.6 | 174 | -80 | -177.4 | 174 | 0 | 0 | 111.5 | L63 A70 L71 | L63-E67 WeakPolarHBondContact O-CB 3.41Å; L63-E67 WeakPolarHBondContact O-CG 3.3Å; L63-E67 PolarHBondContact O-N 3.46Å; E67-A70 PolarHBondContact O-N 3.29Å; E67-L71 WeakPolarHBondContact O-CB 3.28Å; E67-L71 PolarHBondContact O-N 2.88Å |
| 68 | K | 92.1 | Very high | 84.4 | Confident | 125 Ų | 125 | 121.9 Ų | 121.9 | 54% | 0.543 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.7 | -46.1 | 176.9 | -176.4 | 180 | 173.3 | -176.9 | 0 | 111.6 | Q64 H65 L66 A70 L71 E72 | Q64-K68 VanDerWaalsContact O-CB 3.31Å; Q64-K68 WeakPolarHBondContact O-CB 3.35Å; Q64-K68 PolarHBondContact O-N 2.82Å; H65-K68 PolarHBondContact O-N 2.7Å; L66-K68 VanDerWaalsContact C-N 3.35Å; K68-A70 VanDerWaalsContact C-N 3.34Å; K68-A70 PolarHBondContact O-N 3.22Å; K68-L71 PolarHBondContact O-N 2.96Å; K68-E72 WeakPolarHBondContact CE-OE1 3.11Å; K68-E72 IonicContact NZ-OE1 3.88Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 WeakPolarHBondContact O-CG 3.48Å; K68-E72 PolarHBondContact O-N 3.26Å |
| 69 | E | 90.7 | Very high | 83.9 | Confident | 102 Ų | 102 | 125.1 Ų | 125.1 | 48% | 0.477 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -62.7 | -41.1 | 178 | -170.2 | 178.1 | -169.6 | 0 | 0 | 111.2 | H65 L66 L71 E72 H73 | H65-E69 IonicContact NE2-OE2 3.7Å; H65-E69 WeakPolarHBondContact O-CB 3.4Å; H65-E69 PolarHBondContact O-N 2.87Å; L66-E69 PolarHBondContact O-N 2.93Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.06Å; E69-E72 PolarHBondContact O-N 3.12Å; E69-H73 WeakPolarHBondContact O-CB 3.42Å; E69-H73 PolarHBondContact O-N 3.24Å |
| 70 | A | 84.3 | Confident | 83.2 | Confident | 72 Ų | 72 | 122.5 Ų | 122.5 | 60% | 0.595 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -64.7 | -34.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.9 | L66 E67 K68 | L66-A70 VanDerWaalsContact O-CB 3.23Å; L66-A70 WeakPolarHBondContact O-CB 3.48Å; L66-A70 PolarHBondContact O-N 3Å; E67-A70 PolarHBondContact O-N 3.29Å; K68-A70 VanDerWaalsContact C-N 3.34Å; K68-A70 PolarHBondContact O-N 3.22Å |
| 71 | L | 86.2 | Confident | 82.3 | Confident | 162 Ų | 162 | 120.8 Ų | 120.8 | 85% | 0.848 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.6 | -34.4 | 176.3 | -130.9 | 91.1 | 0 | 0 | 0 | 112.7 | E67 K68 E69 | E67-L71 WeakPolarHBondContact O-CB 3.28Å; E67-L71 PolarHBondContact O-N 2.88Å; K68-L71 PolarHBondContact O-N 2.96Å; E69-L71 VanDerWaalsContact C-N 3.33Å; E69-L71 PolarHBondContact O-N 3.06Å |
| 72 | E | 89.9 | Confident | 81.3 | Confident | 135 Ų | 135 | 127 Ų | 127 | 63% | 0.631 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -81.3 | -25.7 | -179.3 | -72.9 | 176.9 | 177 | 0 | 0 | 112.3 | K68 E69 P74 | K68-E72 WeakPolarHBondContact CE-OE1 3.11Å; K68-E72 IonicContact NZ-OE1 3.88Å; K68-E72 WeakPolarHBondContact O-CB 3.21Å; K68-E72 WeakPolarHBondContact O-CG 3.48Å; K68-E72 PolarHBondContact O-N 3.26Å; E69-E72 PolarHBondContact O-N 3.12Å; E72-P74 WeakPolarHBondContact O-CD 3.4Å |
| 73 | H | 83.2 | Confident | 80.7 | Confident | 135 Ų | 135 | 128.8 Ų | 128.8 | 63% | 0.625 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -71.5 | 120.3 | 176.9 | -162.2 | -67.5 | 0 | 0 | 0 | 110 | E69 D75 | E69-H73 WeakPolarHBondContact O-CB 3.42Å; E69-H73 PolarHBondContact O-N 3.24Å; H73-D75 PolarHBondContact O-N 3.29Å |
| 74 | P | 81.5 | Confident | 79.8 | Confident | 99 Ų | 99 | 127.8 Ų | 127.8 | 64% | 0.643 | 66% | 0.662 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 138.3 | 178.7 | 26.1 | -33 | 0 | 0 | 0 | 110.4 | E72 R76 | E72-P74 WeakPolarHBondContact O-CD 3.4Å; P74-R76 PolarHBondContact O-N 2.96Å |
| 75 | D | 74.6 | Confident | 78.8 | Confident | 161 Ų | 161 | 129.9 Ų | 129.9 | 86% | 0.861 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 131.1 | 171.3 | -80.5 | -26.2 | 0 | 0 | 0 | 109.3 | H73 E77 | H73-D75 PolarHBondContact O-N 3.29Å; D75-E77 PolarHBondContact O-N 2.79Å |
| 76 | R | 76.3 | Confident | 77.7 | Confident | 214 Ų | 214 | 134.1 Ų | 134.1 | 81% | 0.808 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 129.1 | 175.7 | -177.7 | 177.9 | 177.2 | 173.7 | 0.5 | 108.9 | P74 D78 | P74-R76 PolarHBondContact O-N 2.96Å; R76-D78 PolarHBondContact O-N 3.42Å |
| 77 | E | 72.5 | Confident | 76.6 | Confident | 180 Ų | 180 | 140.3 Ų | 140.3 | 84% | 0.841 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -62 | 124.1 | 174.2 | -68.1 | -172.5 | 167.6 | 0 | 0 | 110.7 | D75 L79 | D75-E77 PolarHBondContact O-N 2.79Å; E77-L79 PolarHBondContact O-N 2.98Å |
| 78 | D | 66.8 | Low | 75.6 | Confident | 120 Ų | 120 | 137 Ų | 137 | 64% | 0.642 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -64 | 125 | 174.9 | -77.1 | -30.9 | 0 | 0 | 0 | 110 | R76 V80 | R76-D78 PolarHBondContact O-N 3.42Å; D78-V80 PolarHBondContact O-N 3.4Å |
| 79 | L | 72.5 | Confident | 74.8 | Confident | 162 Ų | 162 | 141.1 Ų | 141.1 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -56.7 | -19.7 | 174.1 | -93.6 | 129.5 | 0 | 0 | 0 | 113.3 | E77 | E77-L79 PolarHBondContact O-N 2.98Š|
| 80 | V | 71.6 | Confident | 73.8 | Confident | 114 Ų | 114 | 145.4 Ų | 145.4 | 69% | 0.691 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -133.1 | 118.1 | 175.3 | -173.2 | 0 | 0 | 0 | 0 | 108.6 | D78 F82 | D78-V80 PolarHBondContact O-N 3.4Å; V80-F82 PolarHBondContact O-N 3.31Å |
| 81 | P | 70.4 | Confident | 73.2 | Confident | 101 Ų | 101 | 150.5 Ų | 150.5 | 66% | 0.656 | 76% | 0.755 | S | S | * | * | trans | -57.5 | 127.9 | -179.2 | -23.8 | 31.8 | 0 | 0 | 0 | 111.6 | T83 | P81-T83 WeakPolarHBondContact O-CG2 3.44Å; P81-T83 PolarHBondContact O-N 2.94Å | ||
| 82 | F | 64.9 | Low | 72.7 | Confident | 179 Ų | 179 | 148.3 Ų | 148.3 | 79% | 0.785 | 75% | 0.748 | S | S | * | * | trans | -61.4 | 106.1 | 175.5 | 179 | -105.3 | 0 | 0 | 0 | 110.5 | V80 G84 | V80-F82 PolarHBondContact O-N 3.31Å; F82-G84 PolarHBondContact O-N 3.21Å | ||
| 83 | T | 70.6 | Confident | 71.6 | Confident | 111 Ų | 111 | 146.1 Ų | 146.1 | 68% | 0.681 | 75% | 0.746 | S | S | * | * | trans | -78.8 | 1.4 | -174.6 | 56.7 | 0 | 0 | 0 | 0 | 114.5 | P81 K85 | P81-T83 WeakPolarHBondContact O-CG2 3.44Å; P81-T83 PolarHBondContact O-N 2.94Å; T83-K85 PolarHBondContact O-N 3.27Å | ||
| 84 | G | 68.1 | Low | 71.1 | Confident | 51 Ų | 51 | 149.3 Ų | 149.3 | 53% | 0.526 | 76% | 0.758 | S | S | . | * | trans | 66 | -4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 116.1 | F82 K86 | F82-G84 PolarHBondContact O-N 3.21Å; G84-K86 PolarHBondContact O-N 3.34Å | ||
| 85 | K | 71.5 | Confident | 70.5 | Confident | 174 Ų | 174 | 153.8 Ų | 153.8 | 76% | 0.757 | 77% | 0.767 | S | S | * | * | trans | -86.1 | 106.4 | -179 | -68.3 | -179.7 | -177.8 | 177.9 | 0 | 110.1 | T83 K87 | T83-K85 PolarHBondContact O-N 3.27Å; K85-K87 PolarHBondContact O-N 3.05Å | ||
| 86 | K | 64.4 | Low | 69.8 | Low | 199 Ų | 199 | 151.8 Ų | 151.8 | 87% | 0.865 | 76% | 0.763 | S | S | * | * | trans | -61.7 | 104.6 | 167.3 | -79.7 | -175.4 | 176.6 | 179.1 | 0 | 109.4 | G84 | G84-K86 PolarHBondContact O-N 3.34Š| ||
| 87 | K | 65.1 | Low | 69 | Low | 214 Ų | 214 | 151.2 Ų | 151.2 | 93% | 0.93 | 77% | 0.767 | S | S | * | * | trans | -79.7 | 116.2 | 167.6 | -78.1 | -173.4 | 177.2 | 178.1 | 0 | 108.8 | K85 | K85-K87 PolarHBondContact O-N 3.05Š| ||
| 88 | G | 69.4 | Low | 68.5 | Low | 66 Ų | 66 | 151.4 Ų | 151.4 | 68% | 0.68 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 127.7 | 150.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 89 | K | 76.5 | Confident | 67.9 | Low | 212 Ų | 212 | 150.9 Ų | 150.9 | 92% | 0.922 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 137.5 | 173.6 | -65.7 | -178.3 | -179.5 | 179.6 | 0 | 108.8 | F91 | K89-F91 PolarHBondContact O-N 2.95Å; K89-F91 VanDerWaalsContact O-N 3.13Å |
| 90 | K | 70.3 | Confident | 67.2 | Low | 192 Ų | 192 | 146.1 Ų | 146.1 | 84% | 0.835 | 74% | 0.742 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 120.2 | 174.7 | -162.1 | 177.3 | -176 | -177.1 | 0 | 107.8 | V92 | K90-V92 PolarHBondContact O-N 3Å; K90-V92 VanDerWaalsContact O-N 3.14Å |
| 91 | F | 70.3 | Confident | 66.4 | Low | 179 Ų | 179 | 146.8 Ų | 146.8 | 79% | 0.785 | 74% | 0.741 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118.8 | 178.6 | 178.3 | -102 | 0 | 0 | 0 | 108.7 | K89 P93 | K89-F91 PolarHBondContact O-N 2.95Å; K89-F91 VanDerWaalsContact O-N 3.13Å; F91-P93 HydrophobicContact CE1-CB 4.25Å |
| 92 | V | 75.7 | Confident | 65.6 | Low | 116 Ų | 116 | 149.6 Ų | 149.6 | 70% | 0.703 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 117.3 | 171.2 | -178.7 | 0 | 0 | 0 | 0 | 106 | K90 K94 | K90-V92 PolarHBondContact O-N 3Å; K90-V92 VanDerWaalsContact O-N 3.14Å; V92-K94 PolarHBondContact O-N 3.25Å |
| 93 | P | 68.2 | Low | 64.9 | Low | 90 Ų | 90 | 146.6 Ų | 146.6 | 58% | 0.584 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -58 | 127.9 | 175.7 | 21.9 | -29.7 | 0 | 0 | 0 | 108.9 | F91 K95 | F91-P93 HydrophobicContact CE1-CB 4.25Å; P93-K95 PolarHBondContact O-N 2.89Å |
| 94 | K | 72.7 | Confident | 64.1 | Low | 202 Ų | 202 | 146 Ų | 146 | 88% | 0.878 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -64 | 126.1 | 175.6 | -68.4 | 178.8 | 179.7 | 175.8 | 0 | 107.5 | V92 | V92-K94 PolarHBondContact O-N 3.25Š|
| 95 | K | 68.9 | Low | 63.5 | Low | 193 Ų | 193 | 149.7 Ų | 149.7 | 84% | 0.839 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -57.7 | 138.2 | 169.2 | -69.3 | -172.6 | 178.2 | -173.9 | 0 | 108.3 | P93 K97 | P93-K95 PolarHBondContact O-N 2.89Å; K95-K97 PolarHBondContact O-N 3.42Å |
| 96 | P | 58.4 | Low | 62.9 | Low | 119 Ų | 119 | 147.5 Ų | 147.5 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 131.3 | 171.4 | 23.6 | -30.9 | 0 | 0 | 0 | 107.9 | E98 | P96-E98 PolarHBondContact O-N 3.42Š|
| 97 | K | 60.7 | Low | 62.6 | Low | 202 Ų | 202 | 141 Ų | 141 | 88% | 0.878 | 71% | 0.705 | S | S | * | * | P | Polyproline II helix | trans | -66.5 | 116.5 | 172.7 | -76.4 | -178.3 | 174.2 | -176.2 | 0 | 106.6 | K95 I99 | K95-K97 PolarHBondContact O-N 3.42Å; K97-I99 PolarHBondContact O-N 3.44Å |
| 98 | E | 61.1 | Low | 63 | Low | 184 Ų | 184 | 136.9 Ų | 136.9 | 86% | 0.86 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 124.7 | 165 | -71.7 | 174 | -174 | 0 | 0 | 107.4 | P96 | P96-E98 PolarHBondContact O-N 3.42Š|
| 99 | I | 55.2 | Low | 63.1 | Low | 108 Ų | 108 | 138.7 Ų | 138.7 | 55% | 0.554 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 123.3 | 177.4 | -58.6 | 169.1 | 0 | 0 | 0 | 106.7 | K97 L101 E103 | K97-I99 PolarHBondContact O-N 3.44Å; I99-L101 PolarHBondContact O-N 3.43Å; I99-E103 HydrophobicContact CG2-CB 3.65Å |
| 100 | P | 56.8 | Low | 62.6 | Low | 62 Ų | 62 | 135.9 Ų | 135.9 | 40% | 0.403 | 68% | 0.679 | S | S | . | * | P | Polyproline II helix | trans | -52.4 | 139.1 | 177.3 | -22.8 | 31.7 | 0 | 0 | 0 | 110.6 | H102 E103 | P100-H102 PolarHBondContact O-N 2.8Å; P100-E103 WeakPolarHBondContact CD-OE2 3.48Å; P100-E103 PolarHBondContact O-N 2.95Å |
| 101 | L | 54.5 | Low | 62.1 | Low | 129 Ų | 129 | 130.8 Ų | 130.8 | 68% | 0.675 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.8 | -24.2 | -177.1 | -147.5 | 96.6 | 0 | 0 | 0 | 113.2 | I99 E103 Q104 | I99-L101 PolarHBondContact O-N 3.43Å; L101-E103 VanDerWaalsContact C-N 3.35Å; L101-Q104 PolarHBondContact O-N 2.6Å |
| 102 | H | 53.5 | Low | 61.9 | Low | 160 Ų | 160 | 127.5 Ų | 127.5 | 74% | 0.741 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -17.3 | 177.6 | 92.4 | 62.1 | 0 | 0 | 0 | 114 | P100 | P100-H102 PolarHBondContact O-N 2.8Š|
| 103 | E | 51.3 | Low | 61.7 | Low | 115 Ų | 115 | 128 Ų | 128 | 54% | 0.537 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.5 | -7.2 | 175.6 | -69.9 | -175.3 | 165.8 | 0 | 0 | 111.4 | I99 P100 L101 V105 | I99-E103 HydrophobicContact CG2-CB 3.65Å; P100-E103 WeakPolarHBondContact CD-OE2 3.48Å; P100-E103 PolarHBondContact O-N 2.95Å; L101-E103 VanDerWaalsContact C-N 3.35Å; E103-V105 PolarHBondContact O-N 2.78Å |
| 104 | Q | 52.8 | Low | 61.6 | Low | 99 Ų | 99 | 126.6 Ų | 126.6 | 46% | 0.463 | 64% | 0.638 | S | S | . | * | S | Bend | trans | -76 | 109.2 | 168.4 | -62.4 | -179.5 | 14.2 | 0 | 0 | 107.6 | L101 I106 | L101-Q104 PolarHBondContact O-N 2.6Å; Q104-I106 VanDerWaalsContact C-N 3.32Å; Q104-I106 PolarHBondContact O-N 3.1Å |
| 105 | V | 56.1 | Low | 61.2 | Low | 129 Ų | 129 | 120.3 Ų | 120.3 | 78% | 0.782 | 61% | 0.613 | S | S | * | * | trans | -69.7 | 94.9 | 171.7 | -177.8 | 0 | 0 | 0 | 0 | 107 | E103 L107 | E103-V105 PolarHBondContact O-N 2.78Å; V105-L107 HydrophobicContact CG1-CD2 4.38Å; V105-L107 PolarHBondContact O-N 2.83Å | ||
| 106 | I | 59.2 | Low | 61.2 | Low | 128 Ų | 128 | 119.6 Ų | 119.6 | 66% | 0.656 | 61% | 0.61 | S | S | * | * | trans | -81.2 | 110.1 | 170.7 | -58.6 | 169.2 | 0 | 0 | 0 | 105.8 | Q104 | Q104-I106 VanDerWaalsContact C-N 3.32Å; Q104-I106 PolarHBondContact O-N 3.1Å | ||
| 107 | L | 58 | Low | 62 | Low | 63 Ų | 63 | 119.4 Ų | 119.4 | 33% | 0.33 | 60% | 0.603 | S | S | . | * | trans | -73.6 | 150.3 | 174.5 | -70 | 165.9 | 0 | 0 | 0 | 108.9 | V105 L111 E112 L115 | V105-L107 HydrophobicContact CG1-CD2 4.38Å; V105-L107 PolarHBondContact O-N 2.83Å; L107-L111 HydrophobicContact CB-CB 4.33Å; L107-E112 HydrophobicContact CB-CG 4Å; L107-E112 HydrophobicContact CD1-CG 4.44Å; L107-L115 HydrophobicContact CD1-CD1 3.49Å; L107-L115 VanDerWaalsContact CD1-CD1 3.49Å | ||
| 108 | E | 74.1 | Confident | 62.4 | Low | 127 Ų | 127 | 111 Ų | 111 | 59% | 0.593 | 57% | 0.571 | S | S | * | * | trans | -59.5 | 145.3 | 172.9 | -64.2 | 179.8 | 170.7 | 0 | 0 | 109.4 | E110 L111 E112 | E108-E110 PolarHBondContact O-N 3.46Å; E108-L111 HydrophobicContact CB-CD1 4.14Å; E108-L111 HydrophobicContact CB-CG 4.42Å; E108-L111 HydrophobicContact CG-CD1 4.5Å; E108-L111 WeakPolarHBondContact O-CA 3.35Å; E108-L111 WeakPolarHBondContact O-CB 3.35Å; E108-L111 PolarHBondContact O-N 2.87Å; E108-E112 PolarHBondContact O-N 3.12Å | ||
| 109 | P | 70.9 | Confident | 62.8 | Low | 103 Ų | 103 | 105.8 Ų | 105.8 | 67% | 0.669 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -54.1 | -33.9 | -174 | -25.4 | 32.9 | 0 | 0 | 0 | 113.5 | E112 E113 | P109-E112 PolarHBondContact O-N 3.44Å; P109-E113 WeakPolarHBondContact O-CB 3.33Å; P109-E113 PolarHBondContact O-N 3.26Å |
| 110 | E | 65.1 | Low | 63.3 | Low | 153 Ų | 153 | 102.8 Ų | 102.8 | 72% | 0.715 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -69.2 | -34.4 | 178.3 | -61.8 | 173.8 | -175.5 | 0 | 0 | 112.1 | E108 A114 | E108-E110 PolarHBondContact O-N 3.46Å; E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.25Å; E110-A114 PolarHBondContact O-N 3.27Å |
| 111 | L | 60.8 | Low | 63.7 | Low | 86 Ų | 86 | 102.8 Ų | 102.8 | 45% | 0.45 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -75.4 | -37.3 | 176.4 | -70 | 169.4 | 0 | 0 | 0 | 111.6 | L107 E108 A114 L115 | L107-L111 HydrophobicContact CB-CB 4.33Å; E108-L111 HydrophobicContact CB-CD1 4.14Å; E108-L111 HydrophobicContact CB-CG 4.42Å; E108-L111 HydrophobicContact CG-CD1 4.5Å; E108-L111 WeakPolarHBondContact O-CA 3.35Å; E108-L111 WeakPolarHBondContact O-CB 3.35Å; E108-L111 PolarHBondContact O-N 2.87Å; L111-A114 PolarHBondContact O-N 3.45Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.88Å |
| 112 | E | 65.4 | Low | 64.5 | Low | 110 Ų | 110 | 101.3 Ų | 101.3 | 51% | 0.514 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -62.8 | -43 | 172.2 | -96.6 | -179.3 | -172.6 | 0 | 0 | 111.9 | L107 E108 P109 L115 K116 | L107-E112 HydrophobicContact CB-CG 4Å; L107-E112 HydrophobicContact CD1-CG 4.44Å; E108-E112 PolarHBondContact O-N 3.12Å; P109-E112 PolarHBondContact O-N 3.44Å; E112-L115 PolarHBondContact O-N 3.26Å; E112-K116 VanDerWaalsContact O-CB 3.29Å; E112-K116 WeakPolarHBondContact O-CB 3.45Å; E112-K116 PolarHBondContact O-N 3.26Å |
| 113 | E | 71.3 | Confident | 65.3 | Low | 127 Ų | 127 | 97 Ų | 97 | 59% | 0.593 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -66.6 | -40.2 | 176.5 | -172.4 | 170.3 | -172.3 | 0 | 0 | 111.8 | P109 K116 N117 | P109-E113 WeakPolarHBondContact O-CB 3.33Å; P109-E113 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 3.49Å; E113-N117 WeakPolarHBondContact O-CB 3.25Å; E113-N117 PolarHBondContact O-N 3.49Å; E113-N117 PolarHBondContact O-ND2 3.1Å |
| 114 | A | 65.9 | Low | 65.9 | Low | 59 Ų | 59 | 92.4 Ų | 92.4 | 49% | 0.488 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.8 | -44.4 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | E110 L111 K116 N117 A118 | E110-A114 VanDerWaalsContact O-CB 3.3Å; E110-A114 WeakPolarHBondContact O-CB 3.25Å; E110-A114 PolarHBondContact O-N 3.27Å; L111-A114 PolarHBondContact O-N 3.45Å; A114-K116 VanDerWaalsContact C-N 3.32Å; A114-K116 PolarHBondContact O-N 3.24Å; A114-N117 PolarHBondContact O-N 2.93Å; A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.26Å; A114-A118 PolarHBondContact O-N 3.35Å |
| 115 | L | 65.6 | Low | 66.6 | Low | 70 Ų | 70 | 92.5 Ų | 92.5 | 37% | 0.366 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.5 | -35.5 | 175.9 | -82.7 | 156.8 | 0 | 0 | 0 | 112.5 | L107 L111 E112 N117 M123 | L107-L115 HydrophobicContact CD1-CD1 3.49Å; L107-L115 VanDerWaalsContact CD1-CD1 3.49Å; L111-L115 WeakPolarHBondContact O-CB 3.37Å; L111-L115 WeakPolarHBondContact O-CD1 3.34Å; L111-L115 WeakPolarHBondContact O-CG 3.48Å; L111-L115 PolarHBondContact O-N 2.88Å; E112-L115 PolarHBondContact O-N 3.26Å; L115-N117 VanDerWaalsContact C-N 3.34Å; L115-M123 HydrophobicContact CD2-CE 3.94Å; L115-M123 HydrophobicContact CD2-SD 3.67Å |
| 116 | K | 68.6 | Low | 67.3 | Low | 179 Ų | 179 | 89.6 Ų | 89.6 | 78% | 0.778 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -72.5 | -29 | 179.2 | -168.9 | 177.2 | -179.3 | -177.3 | 0 | 113 | E112 E113 A114 | E112-K116 VanDerWaalsContact O-CB 3.29Å; E112-K116 WeakPolarHBondContact O-CB 3.45Å; E112-K116 PolarHBondContact O-N 3.26Å; E113-K116 PolarHBondContact O-N 3.49Å; A114-K116 VanDerWaalsContact C-N 3.32Å; A114-K116 PolarHBondContact O-N 3.24Å |
| 117 | N | 74.5 | Confident | 67.6 | Low | 115 Ų | 115 | 84.2 Ų | 84.2 | 62% | 0.615 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -99.7 | -6.8 | -179.8 | -66.1 | -29.3 | 0 | 0 | 0 | 113.3 | E113 A114 L115 | E113-N117 WeakPolarHBondContact O-CB 3.25Å; E113-N117 PolarHBondContact O-N 3.49Å; E113-N117 PolarHBondContact O-ND2 3.1Å; A114-N117 PolarHBondContact O-N 2.93Å; L115-N117 VanDerWaalsContact C-N 3.34Å |
| 118 | A | 70.1 | Confident | 67.9 | Low | 24 Ų | 24 | 84.7 Ų | 84.7 | 20% | 0.198 | 46% | 0.464 | C | S | . | . | trans | -63.8 | 139.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | A114 E122 M123 | A114-A118 VanDerWaalsContact O-CB 3.31Å; A114-A118 WeakPolarHBondContact O-CB 3.26Å; A114-A118 PolarHBondContact O-N 3.35Å; A118-E122 HydrophobicContact CB-CB 4.39Å; A118-M123 HydrophobicContact CB-CG 3.91Å; A118-M123 HydrophobicContact CB-SD 3.88Å | ||
| 119 | T | 68.8 | Low | 67.6 | Low | 76 Ų | 76 | 85.5 Ų | 85.5 | 47% | 0.466 | 47% | 0.471 | S | S | . | . | trans | -73.1 | 156.3 | 174.9 | 59.9 | 0 | 0 | 0 | 0 | 111.2 | A121 E122 M123 | T119-A121 PolarHBondContact O-N 3.37Å; T119-A121 VanDerWaalsContact O-N 3.09Å; T119-E122 WeakPolarHBondContact CB-OE2 3.44Å; T119-E122 PolarHBondContact N-OE2 2.82Å; T119-E122 PolarHBondContact O-N 3.04Å; T119-E122 VanDerWaalsContact OG1-CG 3.28Å; T119-E122 WeakPolarHBondContact OG1-CG 3.43Å; T119-E122 PolarHBondContact OG1-OE2 3.41Å; T119-M123 PolarHBondContact O-N 3.27Å | ||
| 120 | D | 66.6 | Low | 67.5 | Low | 45 Ų | 45 | 85.6 Ų | 85.6 | 24% | 0.241 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -53.5 | -32.6 | 179 | -71.2 | -1.6 | 0 | 0 | 0 | 112.7 | C124 I151 | D120-C124 PolarHBondContact O-N 2.93Å; D120-I151 HydrophobicContact CB-CD1 3.76Å; D120-I151 HydrophobicContact CB-CG1 3.93Å; D120-I151 PolarHBondContact OD2-N 2.86Å |
| 121 | A | 64.8 | Low | 67.2 | Low | 62 Ų | 62 | 80.6 Ų | 80.6 | 51% | 0.512 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -70.2 | -46.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | T119 M123 C124 D125 | T119-A121 PolarHBondContact O-N 3.37Å; T119-A121 VanDerWaalsContact O-N 3.09Å; A121-M123 VanDerWaalsContact C-N 3.31Å; A121-M123 PolarHBondContact O-N 3.18Å; A121-C124 PolarHBondContact O-N 3.23Å; A121-D125 PolarHBondContact O-N 3.2Å |
| 122 | E | 71.1 | Confident | 67.3 | Low | 98 Ų | 98 | 80.1 Ų | 80.1 | 46% | 0.458 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 178.7 | -69.6 | 164.5 | 144.5 | 0 | 0 | 111.4 | A118 T119 C124 D125 I126 | A118-E122 HydrophobicContact CB-CB 4.39Å; T119-E122 WeakPolarHBondContact CB-OE2 3.44Å; T119-E122 PolarHBondContact N-OE2 2.82Å; T119-E122 PolarHBondContact O-N 3.04Å; T119-E122 VanDerWaalsContact OG1-CG 3.28Å; T119-E122 WeakPolarHBondContact OG1-CG 3.43Å; T119-E122 PolarHBondContact OG1-OE2 3.41Å; E122-C124 VanDerWaalsContact C-N 3.35Å; E122-D125 PolarHBondContact O-N 3.38Å; E122-I126 WeakPolarHBondContact O-CB 3.36Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.43Å; E122-I126 PolarHBondContact O-N 2.95Å |
| 123 | M | 70.1 | Confident | 67 | Low | 70 Ų | 70 | 82.5 Ų | 82.5 | 35% | 0.345 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 174.5 | -73 | -63.7 | -70 | 0 | 0 | 112.3 | L115 A118 T119 A121 I126 A127 | L115-M123 HydrophobicContact CD2-CE 3.94Å; L115-M123 HydrophobicContact CD2-SD 3.67Å; A118-M123 HydrophobicContact CB-CG 3.91Å; A118-M123 HydrophobicContact CB-SD 3.88Å; T119-M123 PolarHBondContact O-N 3.27Å; A121-M123 VanDerWaalsContact C-N 3.31Å; A121-M123 PolarHBondContact O-N 3.18Å; M123-I126 PolarHBondContact O-N 3.38Å; M123-A127 WeakPolarHBondContact O-CB 3.27Å; M123-A127 PolarHBondContact O-N 2.85Å |
| 124 | C | 63.5 | Low | 66.4 | Low | 17 Ų | 17 | 81.2 Ų | 81.2 | 12% | 0.115 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -67.7 | -40.2 | 177.1 | -162.7 | 0 | 0 | 0 | 0 | 111.5 | D120 A121 E122 A127 A128 A144 | D120-C124 PolarHBondContact O-N 2.93Å; A121-C124 PolarHBondContact O-N 3.23Å; E122-C124 VanDerWaalsContact C-N 3.35Å; C124-A127 PolarHBondContact O-N 3.21Å; C124-A128 WeakPolarHBondContact O-CB 3.25Å; C124-A128 PolarHBondContact O-N 3.07Å; C124-A144 HydrophobicContact CB-CB 4.24Å |
| 125 | D | 67.4 | Low | 66.2 | Low | 102 Ų | 102 | 81.9 Ų | 81.9 | 55% | 0.545 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -65.2 | -43.5 | 175.3 | -73.5 | -21.6 | 0 | 0 | 0 | 111.7 | A121 E122 A127 A128 I129 | A121-D125 PolarHBondContact O-N 3.2Å; E122-D125 PolarHBondContact O-N 3.38Å; D125-A127 PolarHBondContact O-N 2.91Å; D125-A128 PolarHBondContact O-N 3.29Å; D125-I129 WeakPolarHBondContact O-CB 3.34Å; D125-I129 WeakPolarHBondContact O-CD1 3.13Å; D125-I129 WeakPolarHBondContact O-CG1 3.44Å; D125-I129 PolarHBondContact O-N 3.4Å |
| 126 | I | 71.4 | Confident | 66.2 | Low | 68 Ų | 68 | 80.3 Ų | 80.3 | 35% | 0.349 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -61.9 | -44.7 | 175.7 | -70.5 | 164.9 | 0 | 0 | 0 | 110.8 | E122 M123 A128 I129 L130 | E122-I126 WeakPolarHBondContact O-CB 3.36Å; E122-I126 WeakPolarHBondContact O-CD1 3.44Å; E122-I126 WeakPolarHBondContact O-CG1 3.43Å; E122-I126 PolarHBondContact O-N 2.95Å; M123-I126 PolarHBondContact O-N 3.38Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.14Å; I126-I129 PolarHBondContact O-N 3.34Å; I126-L130 HydrophobicContact CG2-CD1 3.5Å; I126-L130 HydrophobicContact CG2-CG 4.37Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 2.98Å |
| 127 | A | 65.8 | Low | 66.1 | Low | 15 Ų | 15 | 73.2 Ų | 73.2 | 12% | 0.124 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -64.5 | -37 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | M123 C124 D125 G131 M132 M136 | M123-A127 WeakPolarHBondContact O-CB 3.27Å; M123-A127 PolarHBondContact O-N 2.85Å; C124-A127 PolarHBondContact O-N 3.21Å; D125-A127 PolarHBondContact O-N 2.91Å; A127-G131 PolarHBondContact O-N 2.64Å; A127-G131 VanDerWaalsContact O-N 3.16Å; A127-M132 PolarHBondContact O-N 3.43Å; A127-M136 HydrophobicContact CB-SD 4.15Å |
| 128 | A | 65.1 | Low | 65.9 | Low | 73 Ų | 73 | 73.8 Ų | 73.8 | 60% | 0.603 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -67.5 | -44.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | C124 D125 I126 G131 | C124-A128 WeakPolarHBondContact O-CB 3.25Å; C124-A128 PolarHBondContact O-N 3.07Å; D125-A128 PolarHBondContact O-N 3.29Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 3.14Å; A128-G131 PolarHBondContact O-N 3.34Å |
| 129 | I | 67.3 | Low | 65.8 | Low | 144 Ų | 144 | 75.5 Ų | 75.5 | 74% | 0.738 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -65.3 | -40.8 | 179 | -69.2 | 164.1 | 0 | 0 | 0 | 111.4 | D125 I126 G131 | D125-I129 WeakPolarHBondContact O-CB 3.34Å; D125-I129 WeakPolarHBondContact O-CD1 3.13Å; D125-I129 WeakPolarHBondContact O-CG1 3.44Å; D125-I129 PolarHBondContact O-N 3.4Å; I126-I129 PolarHBondContact O-N 3.34Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 2.99Å |
| 130 | L | 67.7 | Low | 65.8 | Low | 105 Ų | 105 | 72.4 Ų | 72.4 | 55% | 0.55 | 40% | 0.403 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.5 | -179.9 | -66.7 | 169.1 | 0 | 0 | 0 | 113.3 | I126 M132 | I126-L130 HydrophobicContact CG2-CD1 3.5Å; I126-L130 HydrophobicContact CG2-CG 4.37Å; I126-L130 WeakPolarHBondContact O-CB 3.45Å; I126-L130 WeakPolarHBondContact O-CG 3.48Å; I126-L130 PolarHBondContact O-N 2.98Å; L130-M132 HydrophobicContact CB-CB 4.43Å; L130-M132 HydrophobicContact CB-CE 3.84Å; L130-M132 HydrophobicContact CB-CG 4.02Å; L130-M132 HydrophobicContact CD1-CE 3.57Å; L130-M132 HydrophobicContact CG-CE 4.31Å; L130-M132 PolarHBondContact O-N 2.89Å |
| 131 | G | 59.8 | Low | 66 | Low | 47 Ų | 47 | 74.8 Ų | 74.8 | 49% | 0.485 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 66.3 | 20 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A127 A128 I129 Y133 | A127-G131 PolarHBondContact O-N 2.64Å; A127-G131 VanDerWaalsContact O-N 3.16Å; A128-G131 PolarHBondContact O-N 3.34Å; I129-G131 VanDerWaalsContact C-N 3.27Å; I129-G131 PolarHBondContact O-N 2.99Å; G131-Y133 PolarHBondContact O-N 3.01Å |
| 132 | M | 62.1 | Low | 66.2 | Low | 77 Ų | 77 | 79 Ų | 79 | 38% | 0.379 | 41% | 0.413 | S | S | . | . | trans | -99.9 | 36.5 | -173.4 | -67.1 | -162.1 | -56.9 | 0 | 0 | 112.7 | A127 L130 T134 L135 | A127-M132 PolarHBondContact O-N 3.43Å; L130-M132 HydrophobicContact CB-CB 4.43Å; L130-M132 HydrophobicContact CB-CE 3.84Å; L130-M132 HydrophobicContact CB-CG 4.02Å; L130-M132 HydrophobicContact CD1-CE 3.57Å; L130-M132 HydrophobicContact CG-CE 4.31Å; L130-M132 PolarHBondContact O-N 2.89Å; M132-T134 PolarHBondContact O-N 3.43Å; M132-T134 VanDerWaalsContact O-N 3.09Å; M132-L135 HydrophobicContact CB-CD1 3.72Å; M132-L135 HydrophobicContact CB-CG 3.94Å; M132-L135 HydrophobicContact CE-CD1 3.83Å; M132-L135 HydrophobicContact CG-CD1 4.15Å; M132-L135 WeakPolarHBondContact O-CB 3.33Å; M132-L135 PolarHBondContact O-N 2.88Å; M132-L135 HydrophobicContact SD-CD1 3.54Å; M132-L135 VanDerWaalsContact SD-CD1 3.54Å | ||
| 133 | Y | 60 | Low | 66.1 | Low | 159 Ų | 159 | 76.3 Ų | 76.3 | 62% | 0.624 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -59.2 | -21.3 | 176.1 | 63.5 | -89.2 | 0 | 0 | 0 | 113 | G131 L135 M136 | G131-Y133 PolarHBondContact O-N 3.01Å; Y133-L135 PolarHBondContact O-N 3.27Å; Y133-M136 PolarHBondContact O-N 2.72Å |
| 134 | T | 59.3 | Low | 65.7 | Low | 101 Ų | 101 | 74 Ų | 74 | 62% | 0.62 | 39% | 0.393 | S | S | * | . | G | 310 helix | trans | -72.4 | -11.1 | 176.2 | 54.8 | 0 | 0 | 0 | 0 | 114 | M132 M136 | M132-T134 PolarHBondContact O-N 3.43Å; M132-T134 VanDerWaalsContact O-N 3.09Å; T134-M136 VanDerWaalsContact C-N 3.32Å |
| 135 | L | 60.9 | Low | 65.8 | Low | 72 Ų | 72 | 78.2 Ų | 78.2 | 38% | 0.377 | 41% | 0.414 | S | S | . | . | G | 310 helix | trans | -84.5 | -9.2 | 175.2 | -55.8 | -175.6 | 0 | 0 | 0 | 112.7 | M132 Y133 I157 | M132-L135 HydrophobicContact CB-CD1 3.72Å; M132-L135 HydrophobicContact CB-CG 3.94Å; M132-L135 HydrophobicContact CE-CD1 3.83Å; M132-L135 HydrophobicContact CG-CD1 4.15Å; M132-L135 WeakPolarHBondContact O-CB 3.33Å; M132-L135 PolarHBondContact O-N 2.88Å; M132-L135 HydrophobicContact SD-CD1 3.54Å; M132-L135 VanDerWaalsContact SD-CD1 3.54Å; Y133-L135 PolarHBondContact O-N 3.27Å; L135-I157 HydrophobicContact CB-CD1 4Å; L135-I157 HydrophobicContact CB-CG1 3.97Å; L135-I157 HydrophobicContact CD1-CD1 4.42Å; L135-I157 HydrophobicContact CD2-CD1 3.6Å; L135-I157 HydrophobicContact CD2-CG1 4.26Å; L135-I157 HydrophobicContact CG-CD1 4.19Å; L135-I157 VanDerWaalsContact O-CG1 3.24Å; L135-I157 WeakPolarHBondContact O-CG1 3.48Å |
| 136 | M | 64.6 | Low | 65.6 | Low | 37 Ų | 37 | 74.9 Ų | 74.9 | 18% | 0.182 | 40% | 0.404 | C | S | . | . | S | Bend | trans | -107.2 | 142.7 | 173.9 | -63.5 | 176.2 | 72.2 | 0 | 0 | 109.8 | A127 Y133 T134 Q140 A144 I151 | A127-M136 HydrophobicContact CB-SD 4.15Å; Y133-M136 PolarHBondContact O-N 2.72Å; T134-M136 VanDerWaalsContact C-N 3.32Å; M136-Q140 HydrophobicContact CB-CB 4.36Å; M136-Q140 HydrophobicContact CE-CB 3.99Å; M136-A144 HydrophobicContact CE-CB 4.44Å; M136-I151 HydrophobicContact CE-CD1 4.23Å |
| 137 | S | 67.5 | Low | 64.6 | Low | 31 Ų | 31 | 79.1 Ų | 79.1 | 22% | 0.217 | 43% | 0.433 | C | S | . | . | trans | -67.2 | 152.2 | 166.2 | 68 | 0 | 0 | 0 | 0 | 110.2 | K139 Q140 Y141 | S137-K139 PolarHBondContact O-N 2.84Å; S137-K139 VanDerWaalsContact O-N 3.08Å; S137-Q140 PolarHBondContact O-N 2.9Å; S137-Q140 VanDerWaalsContact OG-CD 3.31Å; S137-Q140 VanDerWaalsContact OG-CG 3.3Å; S137-Q140 WeakPolarHBondContact OG-CG 3.28Å; S137-Q140 PolarHBondContact OG-N 2.91Å; S137-Q140 PolarHBondContact OG-OE1 2.8Å; S137-Y141 PolarHBondContact O-N 2.92Å | ||
| 138 | N | 70.1 | Confident | 64.1 | Low | 127 Ų | 127 | 83.5 Ų | 83.5 | 68% | 0.679 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -51.2 | -37.1 | 175.9 | -72.5 | -29.3 | 0 | 0 | 0 | 111.8 | Y141 Y142 | N138-Y141 PolarHBondContact O-N 2.82Å; N138-Y142 HydrophobicContact CB-CD2 4.48Å; N138-Y142 HydrophobicContact CB-CE2 4.42Å; N138-Y142 WeakPolarHBondContact O-CD2 3.41Å; N138-Y142 PolarHBondContact O-N 3.14Å |
| 139 | K | 68.4 | Low | 63.7 | Low | 59 Ų | 59 | 82.3 Ų | 82.3 | 26% | 0.257 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.8 | -49 | 177.5 | -170 | 177.6 | -174 | 176.3 | 0 | 112 | S137 Y141 Y142 D143 D164 | S137-K139 PolarHBondContact O-N 2.84Å; S137-K139 VanDerWaalsContact O-N 3.08Å; K139-Y141 VanDerWaalsContact C-N 3.27Å; K139-Y141 PolarHBondContact O-N 3.45Å; K139-Y142 PolarHBondContact O-N 2.81Å; K139-D143 VanDerWaalsContact O-CB 3.31Å; K139-D143 WeakPolarHBondContact O-CB 3.48Å; K139-D143 PolarHBondContact O-N 2.92Å; K139-D164 VanDerWaalsContact CE-OD1 3.3Å; K139-D164 WeakPolarHBondContact CE-OD1 3.32Å; K139-D164 IonicContact NZ-OD1 2.63Å; K139-D164 PolarHBondContact NZ-OD1 3.31Å |
| 140 | Q | 68.5 | Low | 63.2 | Low | 12 Ų | 12 | 79.7 Ų | 79.7 | 6% | 0.056 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -60.6 | -38 | 177.2 | -70.8 | 162 | -47.2 | 0 | 0 | 112.1 | M136 S137 A144 I151 N153 | M136-Q140 HydrophobicContact CB-CB 4.36Å; M136-Q140 HydrophobicContact CE-CB 3.99Å; S137-Q140 PolarHBondContact O-N 2.9Å; S137-Q140 VanDerWaalsContact OG-CD 3.31Å; S137-Q140 VanDerWaalsContact OG-CG 3.3Å; S137-Q140 WeakPolarHBondContact OG-CG 3.28Å; S137-Q140 PolarHBondContact OG-N 2.91Å; S137-Q140 PolarHBondContact OG-OE1 2.8Å; Q140-A144 WeakPolarHBondContact O-CB 3.39Å; Q140-A144 PolarHBondContact O-N 2.86Å; Q140-A144 VanDerWaalsContact O-N 3.07Å; Q140-I151 HydrophobicContact CB-CG2 3.87Å; Q140-I151 HydrophobicContact CG-CG2 3.66Å; Q140-N153 HydrophobicContact CG-CB 4.38Å; Q140-N153 PolarHBondContact NE2-O 3.37Å |
| 141 | Y | 69.9 | Low | 62.9 | Low | 94 Ų | 94 | 75.8 Ų | 75.8 | 37% | 0.369 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -65.7 | -48 | 177 | 179.9 | -102.9 | 0 | 0 | 0 | 112.4 | S137 N138 K139 A144 L145 | S137-Y141 PolarHBondContact O-N 2.92Å; N138-Y141 PolarHBondContact O-N 2.82Å; K139-Y141 VanDerWaalsContact C-N 3.27Å; K139-Y141 PolarHBondContact O-N 3.45Å; Y141-A144 PolarHBondContact O-N 2.97Å; Y141-L145 HydrophobicContact CD1-CD1 3.86Å; Y141-L145 HydrophobicContact CE1-CD1 3.34Å; Y141-L145 HydrophobicContact CE1-CG 4.49Å; Y141-L145 HydrophobicContact CE2-CD1 4.24Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.42Å; Y141-L145 VanDerWaalsContact O-N 3.13Å |
| 142 | Y | 70.1 | Confident | 62.8 | Low | 151 Ų | 151 | 77.1 Ų | 77.1 | 59% | 0.592 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -71.7 | -33.4 | 178.4 | -72 | -62.1 | 0 | 0 | 0 | 113.3 | N138 K139 A144 L145 G146 | N138-Y142 HydrophobicContact CB-CD2 4.48Å; N138-Y142 HydrophobicContact CB-CE2 4.42Å; N138-Y142 WeakPolarHBondContact O-CD2 3.41Å; N138-Y142 PolarHBondContact O-N 3.14Å; K139-Y142 PolarHBondContact O-N 2.81Å; Y142-A144 VanDerWaalsContact C-N 3.33Å; Y142-L145 HydrophobicContact CD1-CD1 4.44Å; Y142-L145 PolarHBondContact O-N 3.47Å; Y142-G146 PolarHBondContact O-N 3Å |
| 143 | D | 67.8 | Low | 62.6 | Low | 41 Ų | 41 | 74.8 Ų | 74.8 | 22% | 0.219 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 173.7 | -72.3 | -13.2 | 0 | 0 | 0 | 111.1 | K139 G146 A152 | K139-D143 VanDerWaalsContact O-CB 3.31Å; K139-D143 WeakPolarHBondContact O-CB 3.48Å; K139-D143 PolarHBondContact O-N 2.92Å; D143-G146 PolarHBondContact O-N 2.8Å; D143-A152 VanDerWaalsContact OD2-CB 3.24Å; D143-A152 WeakPolarHBondContact OD2-CB 3.47Å; D143-A152 PolarHBondContact OD2-N 3.47Å |
| 144 | A | 63.3 | Low | 62.7 | Low | 22 Ų | 22 | 72.8 Ų | 72.8 | 18% | 0.182 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67 | -34.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | C124 M136 Q140 Y141 Y142 G146 I151 | C124-A144 HydrophobicContact CB-CB 4.24Å; M136-A144 HydrophobicContact CE-CB 4.44Å; Q140-A144 WeakPolarHBondContact O-CB 3.39Å; Q140-A144 PolarHBondContact O-N 2.86Å; Q140-A144 VanDerWaalsContact O-N 3.07Å; Y141-A144 PolarHBondContact O-N 2.97Å; Y142-A144 VanDerWaalsContact C-N 3.33Å; A144-G146 VanDerWaalsContact C-N 3.34Å; A144-I151 HydrophobicContact CB-CD1 4.19Å; A144-I151 HydrophobicContact CB-CG1 4.02Å |
| 145 | L | 65.6 | Low | 62.6 | Low | 106 Ų | 106 | 73.9 Ų | 73.9 | 56% | 0.555 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -78.6 | -16.3 | 174.6 | -71.6 | 172.4 | 0 | 0 | 0 | 113.6 | Y141 Y142 | Y141-L145 HydrophobicContact CD1-CD1 3.86Å; Y141-L145 HydrophobicContact CE1-CD1 3.34Å; Y141-L145 HydrophobicContact CE1-CG 4.49Å; Y141-L145 HydrophobicContact CE2-CD1 4.24Å; Y141-L145 WeakPolarHBondContact O-CG 3.34Å; Y141-L145 PolarHBondContact O-N 3.42Å; Y141-L145 VanDerWaalsContact O-N 3.13Å; Y142-L145 HydrophobicContact CD1-CD1 4.44Å; Y142-L145 PolarHBondContact O-N 3.47Å |
| 146 | G | 61.8 | Low | 62.4 | Low | 32 Ų | 32 | 72.1 Ų | 72.1 | 33% | 0.33 | 42% | 0.421 | S | S | . | . | S | Bend | trans | -78.6 | 161.1 | -175.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | Y142 D143 A144 T148 G149 | Y142-G146 PolarHBondContact O-N 3Å; D143-G146 PolarHBondContact O-N 2.8Å; A144-G146 VanDerWaalsContact C-N 3.34Å; G146-T148 PolarHBondContact O-N 2.94Å; G146-G149 PolarHBondContact O-N 3.23Å |
| 147 | T | 50.8 | Low | 62 | Low | 157 Ų | 157 | 76 Ų | 76 | 96% | 0.963 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.9 | -9.8 | -176 | 38.1 | 0 | 0 | 0 | 0 | 116.2 | ||
| 148 | T | 55.6 | Low | 61.6 | Low | 106 Ų | 106 | 81.6 Ų | 81.6 | 65% | 0.65 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | -15.1 | -179.9 | 51.1 | 0 | 0 | 0 | 0 | 113.5 | G146 T150 | G146-T148 PolarHBondContact O-N 2.94Å; T148-T150 PolarHBondContact O-N 2.91Å; T148-T150 PolarHBondContact O-OG1 3.24Å |
| 149 | G | 55.8 | Low | 61.2 | Low | 48 Ų | 48 | 76.6 Ų | 76.6 | 50% | 0.495 | 44% | 0.443 | S | S | . | . | trans | 55.8 | 21.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | G146 | G146-G149 PolarHBondContact O-N 3.23Š| ||
| 150 | T | 58.3 | Low | 61 | Low | 90 Ų | 90 | 78.6 Ų | 78.6 | 55% | 0.552 | 46% | 0.461 | S | S | * | . | trans | -127 | 118.1 | -176.8 | 4.3 | 0 | 0 | 0 | 0 | 109 | T148 A152 | T148-T150 PolarHBondContact O-N 2.91Å; T148-T150 PolarHBondContact O-OG1 3.24Å; T150-A152 PolarHBondContact O-N 3.39Å | ||
| 151 | I | 61.2 | Low | 60.8 | Low | 23 Ų | 23 | 82.8 Ų | 82.8 | 12% | 0.118 | 49% | 0.487 | C | S | . | . | trans | -75.5 | 120.5 | 178.5 | -62.1 | 172.7 | 0 | 0 | 0 | 108.4 | D120 M136 Q140 A144 N153 | D120-I151 HydrophobicContact CB-CD1 3.76Å; D120-I151 HydrophobicContact CB-CG1 3.93Å; D120-I151 PolarHBondContact OD2-N 2.86Å; M136-I151 HydrophobicContact CE-CD1 4.23Å; Q140-I151 HydrophobicContact CB-CG2 3.87Å; Q140-I151 HydrophobicContact CG-CG2 3.66Å; A144-I151 HydrophobicContact CB-CD1 4.19Å; A144-I151 HydrophobicContact CB-CG1 4.02Å; I151-N153 WeakPolarHBondContact CG2-O 3.46Å; I151-N153 PolarHBondContact O-N 3.42Å; I151-N153 VanDerWaalsContact O-N 3.09Å | ||
| 152 | A | 58.2 | Low | 60.6 | Low | 75 Ų | 75 | 84.8 Ų | 84.8 | 62% | 0.62 | 50% | 0.497 | S | S | * | . | S | Bend | trans | -66.8 | -13 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114 | D143 T150 | D143-A152 VanDerWaalsContact OD2-CB 3.24Å; D143-A152 WeakPolarHBondContact OD2-CB 3.47Å; D143-A152 PolarHBondContact OD2-N 3.47Å; T150-A152 PolarHBondContact O-N 3.39Å |
| 153 | N | 57.8 | Low | 60.6 | Low | 28 Ų | 28 | 83.2 Ų | 83.2 | 15% | 0.15 | 51% | 0.506 | C | S | . | . | trans | -141.3 | 115.8 | 176.7 | -168.2 | -35.7 | 0 | 0 | 0 | 112.1 | Q140 I151 E155 S159 | Q140-N153 HydrophobicContact CG-CB 4.38Å; Q140-N153 PolarHBondContact NE2-O 3.37Å; I151-N153 WeakPolarHBondContact CG2-O 3.46Å; I151-N153 PolarHBondContact O-N 3.42Å; I151-N153 VanDerWaalsContact O-N 3.09Å; N153-E155 VanDerWaalsContact OD1-CB 3.23Å; N153-E155 WeakPolarHBondContact OD1-CB 3.48Å; N153-E155 WeakPolarHBondContact OD1-CG 3.45Å; N153-E155 PolarHBondContact OD1-N 3.15Å; N153-S159 PolarHBondContact ND2-OG 3.45Å; N153-S159 PolarHBondContact OD1-OG 2.8Å | ||
| 154 | T | 60.6 | Low | 60.8 | Low | 116 Ų | 116 | 87 Ų | 87 | 71% | 0.712 | 53% | 0.526 | S | S | * | . | trans | -99.3 | 6.2 | -180 | 51.8 | 0 | 0 | 0 | 0 | 114 | G156 | T154-G156 PolarHBondContact O-N 2.97Å; T154-G156 VanDerWaalsContact O-N 3.09Å | ||
| 155 | E | 57 | Low | 61.4 | Low | 124 Ų | 124 | 90.9 Ų | 90.9 | 58% | 0.579 | 55% | 0.55 | S | S | * | . | S | Bend | trans | -75.9 | 8.6 | -174.9 | -59.6 | 175.5 | 164 | 0 | 0 | 114.3 | N153 | N153-E155 VanDerWaalsContact OD1-CB 3.23Å; N153-E155 WeakPolarHBondContact OD1-CB 3.48Å; N153-E155 WeakPolarHBondContact OD1-CG 3.45Å; N153-E155 PolarHBondContact OD1-N 3.15Å |
| 156 | G | 58 | Low | 62.1 | Low | 35 Ų | 35 | 94.9 Ų | 94.9 | 36% | 0.361 | 56% | 0.563 | S | S | . | * | G | 310 helix | trans | 66.8 | -152.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | T154 N158 S159 | T154-G156 PolarHBondContact O-N 2.97Å; T154-G156 VanDerWaalsContact O-N 3.09Å; G156-N158 PolarHBondContact O-N 3.47Å; G156-N158 VanDerWaalsContact O-N 3.16Å; G156-S159 WeakPolarHBondContact O-CB 3.41Å; G156-S159 PolarHBondContact O-N 3.32Å |
| 157 | I | 56.3 | Low | 63.1 | Low | 120 Ų | 120 | 100.8 Ų | 100.8 | 62% | 0.615 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -61.5 | -23 | -174.2 | -66.6 | 158.5 | 0 | 0 | 0 | 113.3 | L135 S159 | L135-I157 HydrophobicContact CB-CD1 4Å; L135-I157 HydrophobicContact CB-CG1 3.97Å; L135-I157 HydrophobicContact CD1-CD1 4.42Å; L135-I157 HydrophobicContact CD2-CD1 3.6Å; L135-I157 HydrophobicContact CD2-CG1 4.26Å; L135-I157 HydrophobicContact CG-CD1 4.19Å; L135-I157 VanDerWaalsContact O-CG1 3.24Å; L135-I157 WeakPolarHBondContact O-CG1 3.48Å; I157-S159 VanDerWaalsContact C-N 3.28Å |
| 158 | N | 58.2 | Low | 64.6 | Low | 148 Ų | 148 | 97.8 Ų | 97.8 | 79% | 0.791 | 57% | 0.565 | S | S | * | * | G | 310 helix | trans | -89.7 | 8.1 | 179.2 | -67.3 | -36.1 | 0 | 0 | 0 | 113.2 | G156 V160 | G156-N158 PolarHBondContact O-N 3.47Å; G156-N158 VanDerWaalsContact O-N 3.16Å; N158-V160 PolarHBondContact O-N 2.86Å |
| 159 | S | 62.1 | Low | 65.9 | Low | 21 Ų | 21 | 100.8 Ų | 100.8 | 15% | 0.147 | 57% | 0.569 | C | S | . | * | trans | -57.1 | 124.7 | 177.7 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | N153 G156 I157 | N153-S159 PolarHBondContact ND2-OG 3.45Å; N153-S159 PolarHBondContact OD1-OG 2.8Å; G156-S159 WeakPolarHBondContact O-CB 3.41Å; G156-S159 PolarHBondContact O-N 3.32Å; I157-S159 VanDerWaalsContact C-N 3.28Å | ||
| 160 | V | 63.4 | Low | 67.2 | Low | 102 Ų | 102 | 104 Ų | 104 | 62% | 0.618 | 58% | 0.582 | S | S | * | * | trans | -83.3 | 117.5 | 169.1 | -178.4 | 0 | 0 | 0 | 0 | 108.5 | N158 K162 | N158-V160 PolarHBondContact O-N 2.86Å; V160-K162 PolarHBondContact O-N 3.13Å; V160-K162 VanDerWaalsContact O-N 3.1Å | ||
| 161 | V | 64.3 | Low | 68.3 | Low | 100 Ų | 100 | 109 Ų | 109 | 61% | 0.606 | 60% | 0.599 | S | S | * | * | trans | -63 | 112.4 | 175.1 | -178.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 162 | K | 67.4 | Low | 69.3 | Low | 135 Ų | 135 | 116.2 Ų | 116.2 | 59% | 0.587 | 63% | 0.632 | S | S | * | * | P | Polyproline II helix | trans | -91.5 | 142.5 | 173.9 | -63.2 | 179.3 | -174.4 | 169.1 | 0 | 109.8 | V160 | V160-K162 PolarHBondContact O-N 3.13Å; V160-K162 VanDerWaalsContact O-N 3.1Å |
| 163 | P | 69.8 | Low | 70.8 | Confident | 119 Ų | 119 | 118.1 Ų | 118.1 | 77% | 0.773 | 64% | 0.638 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 146.4 | 170.8 | 27.4 | -33.8 | 0 | 0 | 0 | 109.6 | ||
| 164 | D | 71 | Confident | 72.3 | Confident | 119 Ų | 119 | 122.4 Ų | 122.4 | 64% | 0.636 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 134.5 | 174.8 | -71.6 | -44.6 | 0 | 0 | 0 | 110.1 | K139 F166 | K139-D164 VanDerWaalsContact CE-OD1 3.3Å; K139-D164 WeakPolarHBondContact CE-OD1 3.32Å; K139-D164 IonicContact NZ-OD1 2.63Å; K139-D164 PolarHBondContact NZ-OD1 3.31Å; D164-F166 PolarHBondContact O-N 2.91Å |
| 165 | P | 76.7 | Confident | 73.9 | Confident | 105 Ų | 105 | 118.7 Ų | 118.7 | 68% | 0.682 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 130.5 | 173.1 | 25 | -31.3 | 0 | 0 | 0 | 108.6 | K167 | P165-K167 PolarHBondContact O-N 3.29Š|
| 166 | F | 79.7 | Confident | 75.6 | Confident | 189 Ų | 189 | 118.8 Ų | 118.8 | 83% | 0.829 | 65% | 0.654 | S | S | * | * | trans | -57.4 | 114.6 | 176.2 | -179.8 | -97.3 | 0 | 0 | 0 | 109.2 | D164 S168 | D164-F166 PolarHBondContact O-N 2.91Å; F166-S168 PolarHBondContact O-N 3.13Å | ||
| 167 | K | 82.9 | Confident | 77.3 | Confident | 156 Ų | 156 | 119.2 Ų | 119.2 | 68% | 0.678 | 65% | 0.65 | S | S | * | * | trans | -78.1 | 103.4 | 173.2 | -65.5 | -179.7 | -177.6 | 176.6 | 0 | 107.3 | P165 F169 | P165-K167 PolarHBondContact O-N 3.29Å; K167-F169 HydrophobicContact CB-CE2 3.95Å; K167-F169 HydrophobicContact CB-CZ 3.96Å; K167-F169 HydrophobicContact CD-CZ 4.38Å; K167-F169 WeakPolarHBondContact O-CD2 3.36Å; K167-F169 WeakPolarHBondContact O-CE2 3.47Å; K167-F169 PolarHBondContact O-N 3.37Å | ||
| 168 | S | 82.3 | Confident | 79.2 | Confident | 95 Ų | 95 | 117.1 Ų | 117.1 | 66% | 0.664 | 64% | 0.64 | S | S | * | * | trans | -71.8 | 111.9 | 168.4 | 57.3 | 0 | 0 | 0 | 0 | 108.4 | F166 | F166-S168 PolarHBondContact O-N 3.13Š| ||
| 169 | F | 81.9 | Confident | 81 | Confident | 168 Ų | 168 | 110.7 Ų | 110.7 | 74% | 0.737 | 61% | 0.606 | S | S | * | * | P | Polyproline II helix | trans | -83.8 | 130.5 | 170.4 | -62 | -82.5 | 0 | 0 | 0 | 108.5 | K167 | K167-F169 HydrophobicContact CB-CE2 3.95Å; K167-F169 HydrophobicContact CB-CZ 3.96Å; K167-F169 HydrophobicContact CD-CZ 4.38Å; K167-F169 WeakPolarHBondContact O-CD2 3.36Å; K167-F169 WeakPolarHBondContact O-CE2 3.47Å; K167-F169 PolarHBondContact O-N 3.37Å |
| 170 | P | 83.6 | Confident | 82.5 | Confident | 117 Ų | 117 | 115.1 Ų | 115.1 | 76% | 0.76 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 145.6 | 171.2 | 27 | -32.2 | 0 | 0 | 0 | 109.5 | E172 | P170-E172 PolarHBondContact O-N 2.82Š|
| 171 | E | 81.1 | Confident | 84.1 | Confident | 194 Ų | 194 | 115.5 Ų | 115.5 | 91% | 0.907 | 62% | 0.619 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 131.4 | 173.4 | -66.1 | -173.3 | 170.5 | 0 | 0 | 109.5 | ||
| 172 | E | 83.6 | Confident | 85.6 | Confident | 175 Ų | 175 | 111.4 Ų | 111.4 | 82% | 0.818 | 60% | 0.595 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 145.9 | 172.3 | -68.6 | -176.4 | 174.7 | 0 | 0 | 109.9 | P170 | P170-E172 PolarHBondContact O-N 2.82Š|
| 173 | P | 88.7 | Confident | 87 | Confident | 115 Ų | 115 | 105.7 Ų | 105.7 | 75% | 0.747 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 149.2 | 176.3 | 26.9 | -34.3 | 0 | 0 | 0 | 110.6 | ||
| 174 | P | 90.3 | Very high | 88.3 | Confident | 117 Ų | 117 | 106 Ų | 106 | 76% | 0.76 | 56% | 0.561 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 150.5 | 176.5 | 27.3 | -34.6 | 0 | 0 | 0 | 110.7 | P176 | P174-P176 WeakPolarHBondContact O-CD 3.4Š|
| 175 | N | 93 | Very high | 89.5 | Confident | 38 Ų | 38 | 104.1 Ų | 104.1 | 20% | 0.203 | 55% | 0.545 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 122.3 | 176.9 | -178.1 | -12.9 | 0 | 0 | 0 | 109.8 | T177 N197 N199 I201 | N175-T177 VanDerWaalsContact C-N 3.28Å; N175-T177 PolarHBondContact O-N 3.14Å; N175-T177 WeakPolarHBondContact OD1-CB 3.45Å; N175-T177 PolarHBondContact OD1-N 3.39Å; N175-T177 PolarHBondContact OD1-OG1 3.07Å; N175-N197 PolarHBondContact ND2-O 2.69Å; N175-N199 VanDerWaalsContact CB-O 3.3Å; N175-N199 WeakPolarHBondContact CB-O 3.44Å; N175-N199 PolarHBondContact ND2-N 3.42Å; N175-N199 PolarHBondContact ND2-O 2.98Å; N175-I201 HydrophobicContact CB-CD1 4.43Å; N175-I201 HydrophobicContact CB-CG1 3.8Å |
| 176 | P | 93.1 | Very high | 90.5 | Very high | 127 Ų | 127 | 99.2 Ų | 99.2 | 83% | 0.825 | 51% | 0.513 | S | S | * | . | trans | -80 | -4.9 | -175.2 | 33.3 | -37.2 | 0 | 0 | 0 | 114 | P174 N178 | P174-P176 WeakPolarHBondContact O-CD 3.4Å; P176-N178 PolarHBondContact O-N 3.44Å | ||
| 177 | T | 94.7 | Very high | 91.3 | Very high | 44 Ų | 44 | 95.5 Ų | 95.5 | 27% | 0.27 | 50% | 0.502 | S | S | . | . | trans | -61.2 | 126.6 | -176 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | N175 T182 N197 L198 | N175-T177 VanDerWaalsContact C-N 3.28Å; N175-T177 PolarHBondContact O-N 3.14Å; N175-T177 WeakPolarHBondContact OD1-CB 3.45Å; N175-T177 PolarHBondContact OD1-N 3.39Å; N175-T177 PolarHBondContact OD1-OG1 3.07Å; T177-T182 WeakPolarHBondContact CG2-OG1 3.21Å; T177-N197 PolarHBondContact OG1-O 3.29Å; T177-N197 VanDerWaalsContact OG1-O 3.12Å; T177-L198 HydrophobicContact CG2-CD2 3.76Å | ||
| 178 | N | 95.3 | Very high | 92 | Very high | 76 Ų | 76 | 94.1 Ų | 94.1 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | trans | -82.3 | 120.8 | 171.9 | -176 | -60.3 | 0 | 0 | 0 | 109.8 | P176 E180 E181 T182 | P176-N178 PolarHBondContact O-N 3.44Å; N178-E180 PolarHBondContact OD1-N 3.05Å; N178-E180 VanDerWaalsContact OD1-N 3.14Å; N178-E180 PolarHBondContact OD1-OE2 3.09Å; N178-E181 HydrophobicContact CB-CB 4.08Å; N178-E181 WeakPolarHBondContact OD1-CB 3.2Å; N178-E181 PolarHBondContact OD1-N 2.67Å; N178-T182 VanDerWaalsContact O-CB 3.28Å; N178-T182 WeakPolarHBondContact O-CB 3.38Å; N178-T182 PolarHBondContact O-N 3.23Å; N178-T182 VanDerWaalsContact O-N 3.13Å; N178-T182 PolarHBondContact O-OG1 2.9Å | ||
| 179 | V | 95.1 | Very high | 92.6 | Very high | 12 Ų | 12 | 92.2 Ų | 92.2 | 7% | 0.073 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -71.2 | -44 | -171.9 | -178 | 0 | 0 | 0 | 0 | 111.2 | T182 L183 L198 I201 I204 T208 | V179-T182 PolarHBondContact O-N 3.46Å; V179-L183 WeakPolarHBondContact O-CB 3.48Å; V179-L183 PolarHBondContact O-N 3.12Å; V179-L198 HydrophobicContact CG2-CD2 4.37Å; V179-I201 HydrophobicContact CG2-CD1 4.06Å; V179-I201 HydrophobicContact CG2-CG2 4.17Å; V179-I204 HydrophobicContact CG1-CD1 4.48Å; V179-I204 HydrophobicContact CG1-CG2 4.05Å; V179-I204 HydrophobicContact CG2-CD1 3.84Å; V179-I204 HydrophobicContact CG2-CG1 4.06Å; V179-T208 HydrophobicContact CG1-CG2 3.78Å |
| 180 | E | 94.7 | Very high | 93.4 | Very high | 115 Ų | 115 | 86.2 Ų | 86.2 | 54% | 0.537 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.4 | -47.1 | -177.1 | -64.9 | 75.6 | -168.5 | 0 | 0 | 111.5 | N178 T182 L183 E184 | N178-E180 PolarHBondContact OD1-N 3.05Å; N178-E180 VanDerWaalsContact OD1-N 3.14Å; N178-E180 PolarHBondContact OD1-OE2 3.09Å; E180-T182 VanDerWaalsContact C-N 3.3Å; E180-T182 PolarHBondContact O-N 3.42Å; E180-L183 PolarHBondContact O-N 3.02Å; E180-E184 WeakPolarHBondContact O-CG 3.28Å; E180-E184 PolarHBondContact O-N 3Å |
| 181 | E | 95.9 | Very high | 93.9 | Very high | 109 Ų | 109 | 84.8 Ų | 84.8 | 51% | 0.509 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.6 | -174.8 | -175.1 | 165.9 | 0 | 0 | 111 | N178 E184 R185 | N178-E181 HydrophobicContact CB-CB 4.08Å; N178-E181 WeakPolarHBondContact OD1-CB 3.2Å; N178-E181 PolarHBondContact OD1-N 2.67Å; E181-E184 PolarHBondContact O-N 3.49Å; E181-R185 VanDerWaalsContact O-CG 3.3Å; E181-R185 WeakPolarHBondContact O-CG 3.45Å; E181-R185 PolarHBondContact O-N 2.96Å |
| 182 | T | 96.8 | Very high | 94.7 | Very high | 14 Ų | 14 | 79.2 Ų | 79.2 | 9% | 0.086 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -64.2 | -43.1 | 178 | -56.7 | 0 | 0 | 0 | 0 | 111.1 | T177 N178 V179 E180 R185 I186 L193 V196 | T177-T182 WeakPolarHBondContact CG2-OG1 3.21Å; N178-T182 VanDerWaalsContact O-CB 3.28Å; N178-T182 WeakPolarHBondContact O-CB 3.38Å; N178-T182 PolarHBondContact O-N 3.23Å; N178-T182 VanDerWaalsContact O-N 3.13Å; N178-T182 PolarHBondContact O-OG1 2.9Å; V179-T182 PolarHBondContact O-N 3.46Å; E180-T182 VanDerWaalsContact C-N 3.3Å; E180-T182 PolarHBondContact O-N 3.42Å; T182-R185 PolarHBondContact O-N 3.39Å; T182-I186 HydrophobicContact CG2-CD1 4.15Å; T182-I186 VanDerWaalsContact O-CG1 3.28Å; T182-I186 WeakPolarHBondContact O-CG1 3.33Å; T182-I186 PolarHBondContact O-N 3.12Å; T182-L193 HydrophobicContact CG2-CD2 4.38Å; T182-V196 HydrophobicContact CG2-CG1 3.84Å; T182-V196 HydrophobicContact CG2-CG2 4.12Å |
| 183 | L | 96.7 | Very high | 95.3 | Very high | 15 Ų | 15 | 71.5 Ų | 71.5 | 8% | 0.079 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60 | -45.2 | 175.1 | 175.1 | 59.4 | 0 | 0 | 0 | 111.6 | V179 E180 R185 I186 L187 T208 E211 V212 A215 | V179-L183 WeakPolarHBondContact O-CB 3.48Å; V179-L183 PolarHBondContact O-N 3.12Å; E180-L183 PolarHBondContact O-N 3.02Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 2.82Å; L183-I186 PolarHBondContact O-N 2.95Å; L183-L187 HydrophobicContact CD1-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CG 4.23Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.24Å; L183-T208 HydrophobicContact CD2-CG2 4.22Å; L183-E211 HydrophobicContact CD1-CB 4.27Å; L183-E211 HydrophobicContact CD2-CB 4.12Å; L183-V212 HydrophobicContact CB-CG2 4.43Å; L183-V212 HydrophobicContact CD1-CG2 3.93Å; L183-A215 HydrophobicContact CD1-CB 4.22Å |
| 184 | E | 96.9 | Very high | 95.8 | Very high | 125 Ų | 125 | 69.5 Ų | 69.5 | 58% | 0.584 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -59.2 | -40.6 | 175.2 | -74.1 | -176.6 | -179.6 | 0 | 0 | 111.9 | E180 E181 L187 N188 | E180-E184 WeakPolarHBondContact O-CG 3.28Å; E180-E184 PolarHBondContact O-N 3Å; E181-E184 PolarHBondContact O-N 3.49Å; E184-L187 PolarHBondContact O-N 2.97Å; E184-N188 WeakPolarHBondContact O-CB 3.19Å; E184-N188 VanDerWaalsContact O-CG 3.27Å; E184-N188 PolarHBondContact O-N 2.94Å; E184-N188 PolarHBondContact O-ND2 3.35Å |
| 185 | R | 97.3 | Very high | 96.1 | Very high | 80 Ų | 80 | 69.5 Ų | 69.5 | 30% | 0.302 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.4 | -36.9 | 177.4 | -69.4 | 176.5 | 70.6 | -166.5 | -1 | 112.8 | E181 T182 L183 N188 N189 D190 S192 L193 | E181-R185 VanDerWaalsContact O-CG 3.3Å; E181-R185 WeakPolarHBondContact O-CG 3.45Å; E181-R185 PolarHBondContact O-N 2.96Å; T182-R185 PolarHBondContact O-N 3.39Å; L183-R185 VanDerWaalsContact C-N 3.29Å; L183-R185 PolarHBondContact O-N 2.82Å; R185-N188 PolarHBondContact O-N 3.28Å; R185-N189 PolarHBondContact O-N 3.25Å; R185-D190 HydrophobicContact CB-CB 4.2Å; R185-D190 IonicContact CZ-OD2 2.68Å; R185-D190 VanDerWaalsContact CZ-OD2 3.25Å; R185-D190 IonicContact NE-OD2 3.35Å; R185-D190 PolarHBondContact NE-OD2 2.99Å; R185-D190 IonicContact NH2-OD2 3.98Å; R185-D190 PolarHBondContact NH2-OD2 2.89Å; R185-D190 WeakPolarHBondContact O-CB 3.45Å; R185-D190 PolarHBondContact O-N 3Å; R185-S192 PolarHBondContact NH2-OG 2.94Å; R185-L193 HydrophobicContact CB-CD2 3.83Å |
| 186 | I | 96.9 | Very high | 96.3 | Very high | 2 Ų | 2 | 67.8 Ų | 67.8 | 1% | 0.01 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -63.4 | -47.5 | 173.4 | -65.3 | 167.1 | 0 | 0 | 0 | 109.9 | T182 L183 N188 N189 L193 V196 V212 A215 M216 N219 V222 | T182-I186 HydrophobicContact CG2-CD1 4.15Å; T182-I186 VanDerWaalsContact O-CG1 3.28Å; T182-I186 WeakPolarHBondContact O-CG1 3.33Å; T182-I186 PolarHBondContact O-N 3.12Å; L183-I186 PolarHBondContact O-N 2.95Å; I186-N188 VanDerWaalsContact C-N 3.31Å; I186-N188 PolarHBondContact O-N 3.3Å; I186-N189 PolarHBondContact O-N 3.45Å; I186-L193 HydrophobicContact CG1-CD2 3.67Å; I186-V196 HydrophobicContact CD1-CG1 4.29Å; I186-V196 HydrophobicContact CD1-CG2 4.02Å; I186-V196 HydrophobicContact CG1-CG2 4.24Å; I186-V212 HydrophobicContact CD1-CG1 4Å; I186-A215 HydrophobicContact CG2-CB 3.69Å; I186-M216 HydrophobicContact CD1-SD 4.49Å; I186-M216 HydrophobicContact CG2-CG 3.97Å; I186-M216 HydrophobicContact CG2-SD 3.79Å; I186-N219 HydrophobicContact CG2-CB 4.33Å; I186-N219 PolarHBondContact O-ND2 3.41Å; I186-V222 HydrophobicContact CG1-CG2 4.48Å |
| 187 | L | 96.5 | Very high | 96.5 | Very high | 111 Ų | 111 | 64.3 Ų | 64.3 | 58% | 0.581 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -61.2 | -38.3 | 178.3 | -75.8 | 167.9 | 0 | 0 | 0 | 112.5 | L183 E184 N189 A215 | L183-L187 HydrophobicContact CD1-CD1 4.16Å; L183-L187 HydrophobicContact CD1-CG 4.23Å; L183-L187 HydrophobicContact CG-CD1 4.06Å; L183-L187 WeakPolarHBondContact O-CB 3.35Å; L183-L187 WeakPolarHBondContact O-CG 3.3Å; L183-L187 PolarHBondContact O-N 3.24Å; E184-L187 PolarHBondContact O-N 2.97Å; L187-N189 PolarHBondContact O-N 2.93Å; L187-A215 HydrophobicContact CD2-CB 3.5Å; L187-A215 VanDerWaalsContact CD2-CB 3.5Å; L187-A215 HydrophobicContact CG-CB 3.88Å |
| 188 | N | 97.1 | Very high | 96.6 | Very high | 128 Ų | 128 | 62.3 Ų | 62.3 | 68% | 0.684 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 1.5 | 176.4 | -71.4 | -45.5 | 0 | 0 | 0 | 113.6 | E184 R185 I186 D190 | E184-N188 WeakPolarHBondContact O-CB 3.19Å; E184-N188 VanDerWaalsContact O-CG 3.27Å; E184-N188 PolarHBondContact O-N 2.94Å; E184-N188 PolarHBondContact O-ND2 3.35Å; R185-N188 PolarHBondContact O-N 3.28Å; I186-N188 VanDerWaalsContact C-N 3.31Å; I186-N188 PolarHBondContact O-N 3.3Å; N188-D190 VanDerWaalsContact C-N 3.28Å; N188-D190 PolarHBondContact O-N 3.16Å |
| 189 | N | 96.3 | Very high | 96.7 | Very high | 54 Ų | 54 | 60.1 Ų | 60.1 | 29% | 0.289 | 32% | 0.316 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 48.4 | 49.5 | -175.6 | -163.9 | 33.3 | 0 | 0 | 0 | 112 | R185 I186 L187 S191 N219 S220 H221 | R185-N189 PolarHBondContact O-N 3.25Å; I186-N189 PolarHBondContact O-N 3.45Å; L187-N189 PolarHBondContact O-N 2.93Å; N189-S191 PolarHBondContact O-N 3.26Å; N189-N219 PolarHBondContact OD1-ND2 3.14Å; N189-S220 PolarHBondContact ND2-OG 2.94Å; N189-S220 PolarHBondContact OD1-N 3Å; N189-S220 PolarHBondContact OD1-OG 3.02Å; N189-H221 PolarHBondContact O-CD2 3.37Å; N189-H221 VanDerWaalsContact O-CD2 3.27Å; N189-H221 PolarHBondContact OD1-CD2 3.02Å; N189-H221 VanDerWaalsContact OD1-CD2 3.24Å |
| 190 | D | 97.2 | Very high | 96.6 | Very high | 42 Ų | 42 | 64.6 Ų | 64.6 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | trans | -62.7 | 116.6 | -178.4 | 177.5 | 2.7 | 0 | 0 | 0 | 111.3 | R185 N188 S192 L193 | R185-D190 HydrophobicContact CB-CB 4.2Å; R185-D190 IonicContact CZ-OD2 2.68Å; R185-D190 VanDerWaalsContact CZ-OD2 3.25Å; R185-D190 IonicContact NE-OD2 3.35Å; R185-D190 PolarHBondContact NE-OD2 2.99Å; R185-D190 IonicContact NH2-OD2 3.98Å; R185-D190 PolarHBondContact NH2-OD2 2.89Å; R185-D190 WeakPolarHBondContact O-CB 3.45Å; R185-D190 PolarHBondContact O-N 3Å; N188-D190 VanDerWaalsContact C-N 3.28Å; N188-D190 PolarHBondContact O-N 3.16Å; D190-S192 PolarHBondContact O-N 3.11Å; D190-S192 VanDerWaalsContact O-N 3.12Å; D190-S192 WeakPolarHBondContact OD1-CB 3.39Å; D190-S192 PolarHBondContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 2.87Å; D190-S192 PolarHBondContact OD2-OG 2.56Å; D190-L193 HydrophobicContact CB-CB 4.28Å; D190-L193 PolarHBondContact O-N 3.34Å | ||
| 191 | S | 95.9 | Very high | 96.6 | Very high | 88 Ų | 88 | 60.4 Ų | 60.4 | 62% | 0.615 | 32% | 0.321 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.5 | -18.7 | 180 | 62.6 | 0 | 0 | 0 | 0 | 114.9 | N189 | N189-S191 PolarHBondContact O-N 3.26Š|
| 192 | S | 97.1 | Very high | 95.9 | Very high | 77 Ų | 77 | 62.8 Ų | 62.8 | 54% | 0.538 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -13.6 | 177.7 | 70.7 | 0 | 0 | 0 | 0 | 113.3 | R185 D190 T194 | R185-S192 PolarHBondContact NH2-OG 2.94Å; D190-S192 PolarHBondContact O-N 3.11Å; D190-S192 VanDerWaalsContact O-N 3.12Å; D190-S192 WeakPolarHBondContact OD1-CB 3.39Å; D190-S192 PolarHBondContact OD1-N 3.12Å; D190-S192 PolarHBondContact OD1-OG 2.87Å; D190-S192 PolarHBondContact OD2-OG 2.56Å; S192-T194 PolarHBondContact O-N 3.34Å |
| 193 | L | 96.9 | Very high | 95.5 | Very high | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.068 | 36% | 0.355 | C | S | . | . | trans | -92.8 | 95.1 | -178.9 | -173.4 | 68.1 | 0 | 0 | 0 | 110.1 | T182 R185 I186 D190 V196 H221 V222 | T182-L193 HydrophobicContact CG2-CD2 4.38Å; R185-L193 HydrophobicContact CB-CD2 3.83Å; I186-L193 HydrophobicContact CG1-CD2 3.67Å; D190-L193 HydrophobicContact CB-CB 4.28Å; D190-L193 PolarHBondContact O-N 3.34Å; L193-V196 HydrophobicContact CD1-CG2 4.21Å; L193-V196 HydrophobicContact CD2-CG2 3.92Å; L193-V196 HydrophobicContact CG-CG2 4.03Å; L193-H221 CarbonylContact O-C 3.58Å; L193-V222 HydrophobicContact CD2-CG2 4.18Å; L193-V222 HydrophobicContact CG-CG2 4.12Å; L193-V222 WeakPolarHBondContact O-CG2 3.35Å | ||
| 194 | T | 97.4 | Very high | 95.3 | Very high | 73 Ų | 73 | 67.7 Ų | 67.7 | 45% | 0.448 | 36% | 0.355 | S | S | . | . | trans | -100.7 | -26.6 | 178.9 | 56.6 | 0 | 0 | 0 | 0 | 113.2 | S192 E223 V224 | S192-T194 PolarHBondContact O-N 3.34Å; T194-E223 PolarHBondContact O-N 3.4Å; T194-V224 PolarHBondContact O-N 3.48Å; T194-V224 VanDerWaalsContact O-N 3.14Å | ||
| 195 | E | 97.8 | Very high | 95.3 | Very high | 116 Ų | 116 | 65 Ų | 65 | 54% | 0.542 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 128.4 | -178.1 | -179.4 | 174.5 | 175.5 | 0 | 0 | 110.6 | V224 | E195-V224 WeakPolarHBondContact CA-O 3.36Å; E195-V224 HydrophobicContact CB-CB 4.31Å; E195-V224 HydrophobicContact CG-CB 4.04Å; E195-V224 HydrophobicContact CG-CG1 4.09Å |
| 196 | V | 97.7 | Very high | 95.2 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 109.2 | 176.6 | 175.3 | 0 | 0 | 0 | 0 | 108.5 | T182 I186 L193 L198 V222 V224 L225 S226 | T182-V196 HydrophobicContact CG2-CG1 3.84Å; T182-V196 HydrophobicContact CG2-CG2 4.12Å; I186-V196 HydrophobicContact CD1-CG1 4.29Å; I186-V196 HydrophobicContact CD1-CG2 4.02Å; I186-V196 HydrophobicContact CG1-CG2 4.24Å; L193-V196 HydrophobicContact CD1-CG2 4.21Å; L193-V196 HydrophobicContact CD2-CG2 3.92Å; L193-V196 HydrophobicContact CG-CG2 4.03Å; V196-L198 HydrophobicContact CG1-CD1 4.37Å; V196-L198 HydrophobicContact CG1-CD2 4.41Å; V196-L198 HydrophobicContact CG1-CG 4.04Å; V196-V222 HydrophobicContact CB-CG1 4.35Å; V196-V222 HydrophobicContact CG2-CG1 3.83Å; V196-V222 HydrophobicContact CG2-CG2 3.96Å; V196-V224 PolarHBondContact N-O 3.49Å; V196-L225 HydrophobicContact CB-CD1 3.76Å; V196-L225 HydrophobicContact CG1-CD1 3.49Å; V196-L225 VanDerWaalsContact CG1-CD1 3.49Å; V196-L225 WeakPolarHBondContact O-CA 3.3Å; V196-S226 PolarHBondContact O-N 3.09Å |
| 197 | N | 97.3 | Very high | 95.2 | Very high | 55 Ų | 55 | 67 Ų | 67 | 29% | 0.294 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 103.4 | -179.9 | -176.6 | -9.7 | 0 | 0 | 0 | 111 | N175 T177 N199 | N175-N197 PolarHBondContact ND2-O 2.69Å; T177-N197 PolarHBondContact OG1-O 3.29Å; T177-N197 VanDerWaalsContact OG1-O 3.12Å; N197-N199 WeakPolarHBondContact OD1-CB 3.1Å; N197-N199 PolarHBondContact OD1-N 2.87Å; N197-N199 PolarHBondContact OD1-ND2 2.84Å |
| 198 | L | 96.8 | Very high | 95.2 | Very high | 1 Ų | 1 | 62.8 Ų | 62.8 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | trans | -105.3 | 18.4 | 176.4 | -54.4 | -178.1 | 0 | 0 | 0 | 112 | T177 V179 V196 I201 I204 L209 S226 I227 T230 | T177-L198 HydrophobicContact CG2-CD2 3.76Å; V179-L198 HydrophobicContact CG2-CD2 4.37Å; V196-L198 HydrophobicContact CG1-CD1 4.37Å; V196-L198 HydrophobicContact CG1-CD2 4.41Å; V196-L198 HydrophobicContact CG1-CG 4.04Å; L198-I201 HydrophobicContact CB-CD1 4.26Å; L198-I201 HydrophobicContact CD2-CD1 4.04Å; L198-I201 PolarHBondContact O-N 3.05Å; L198-I204 HydrophobicContact CB-CD1 4.23Å; L198-I204 HydrophobicContact CD1-CD1 4.48Å; L198-L209 HydrophobicContact CD1-CD2 4.42Å; L198-S226 PolarHBondContact N-O 2.95Å; L198-I227 HydrophobicContact CB-CG2 4.12Å; L198-I227 HydrophobicContact CD1-CG2 4.04Å; L198-I227 HydrophobicContact CG-CG2 4.45Å; L198-T230 WeakPolarHBondContact O-CG2 3.16Å | ||
| 199 | N | 96.3 | Very high | 95.2 | Very high | 30 Ų | 30 | 56.8 Ų | 56.8 | 16% | 0.16 | 32% | 0.316 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | 140.7 | -176.1 | -65.5 | -14.9 | 0 | 0 | 0 | 111.6 | N175 N197 I201 S226 A228 | N175-N199 VanDerWaalsContact CB-O 3.3Å; N175-N199 WeakPolarHBondContact CB-O 3.44Å; N175-N199 PolarHBondContact ND2-N 3.42Å; N175-N199 PolarHBondContact ND2-O 2.98Å; N197-N199 WeakPolarHBondContact OD1-CB 3.1Å; N197-N199 PolarHBondContact OD1-N 2.87Å; N197-N199 PolarHBondContact OD1-ND2 2.84Å; N199-I201 PolarHBondContact O-N 3.33Å; N199-S226 PolarHBondContact ND2-OG 2.84Å; N199-S226 VanDerWaalsContact OD1-C 3.27Å; N199-S226 VanDerWaalsContact OD1-CB 3.3Å; N199-S226 WeakPolarHBondContact OD1-CB 3.45Å; N199-S226 PolarHBondContact OD1-O 3.25Å; N199-S226 PolarHBondContact OD1-OG 3.01Å; N199-A228 VanDerWaalsContact CA-O 3.32Å; N199-A228 WeakPolarHBondContact CA-O 3.38Å; N199-A228 HydrophobicContact CB-CB 4.45Å; N199-A228 WeakPolarHBondContact OD1-CB 3.43Å; N199-A228 PolarHBondContact OD1-N 3.27Å |
| 200 | N | 94.3 | Very high | 95.2 | Very high | 107 Ų | 107 | 58.1 Ų | 58.1 | 57% | 0.572 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 10.2 | 174.8 | -51.8 | -62 | 0 | 0 | 0 | 115.3 | K202 A228 | N200-K202 PolarHBondContact O-N 3.15Å; N200-A228 PolarHBondContact N-O 2.97Å |
| 201 | I | 93.6 | Very high | 95.2 | Very high | 26 Ų | 26 | 61 Ų | 61 | 13% | 0.133 | 33% | 0.331 | C | S | . | . | trans | -75.5 | 111.7 | 170.6 | -58.7 | 176.7 | 0 | 0 | 0 | 107 | N175 V179 L198 N199 I204 | N175-I201 HydrophobicContact CB-CD1 4.43Å; N175-I201 HydrophobicContact CB-CG1 3.8Å; V179-I201 HydrophobicContact CG2-CD1 4.06Å; V179-I201 HydrophobicContact CG2-CG2 4.17Å; L198-I201 HydrophobicContact CB-CD1 4.26Å; L198-I201 HydrophobicContact CD2-CD1 4.04Å; L198-I201 PolarHBondContact O-N 3.05Å; N199-I201 PolarHBondContact O-N 3.33Å; I201-I204 HydrophobicContact CB-CD1 3.86Å; I201-I204 HydrophobicContact CB-CG1 4.1Å; I201-I204 HydrophobicContact CG2-CD1 3.83Å; I201-I204 HydrophobicContact CG2-CG1 3.6Å | ||
| 202 | K | 81.8 | Confident | 95.3 | Very high | 160 Ų | 160 | 56.9 Ų | 56.9 | 70% | 0.696 | 30% | 0.302 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | 146 | 179.1 | -61.6 | 176.7 | -174.4 | 171.9 | 0 | 108.9 | N200 I204 | N200-K202 PolarHBondContact O-N 3.15Å; K202-I204 PolarHBondContact O-N 2.91Å |
| 203 | D | 87.5 | Confident | 95.3 | Very high | 117 Ų | 117 | 53.2 Ų | 53.2 | 63% | 0.626 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.4 | 28.3 | 169.5 | -47.4 | -46.2 | 0 | 0 | 0 | 116.2 | P205 R231 | D203-P205 WeakPolarHBondContact O-CD 3.36Å; D203-R231 IonicContact OD1-NH1 3.25Å; D203-R231 PolarHBondContact OD1-NH1 2.8Å |
| 204 | I | 94.2 | Very high | 95.3 | Very high | 14 Ų | 14 | 55.7 Ų | 55.7 | 7% | 0.072 | 29% | 0.29 | C | S | . | . | trans | -65.3 | 126.1 | 164.5 | -51 | -178.5 | 0 | 0 | 0 | 108.9 | V179 L198 I201 K202 I206 T208 L209 T230 | V179-I204 HydrophobicContact CG1-CD1 4.48Å; V179-I204 HydrophobicContact CG1-CG2 4.05Å; V179-I204 HydrophobicContact CG2-CD1 3.84Å; V179-I204 HydrophobicContact CG2-CG1 4.06Å; L198-I204 HydrophobicContact CB-CD1 4.23Å; L198-I204 HydrophobicContact CD1-CD1 4.48Å; I201-I204 HydrophobicContact CB-CD1 3.86Å; I201-I204 HydrophobicContact CB-CG1 4.1Å; I201-I204 HydrophobicContact CG2-CD1 3.83Å; I201-I204 HydrophobicContact CG2-CG1 3.6Å; K202-I204 PolarHBondContact O-N 2.91Å; I204-I206 PolarHBondContact O-N 3.13Å; I204-T208 HydrophobicContact CG2-CG2 4.27Å; I204-L209 HydrophobicContact CB-CD1 4.28Å; I204-L209 HydrophobicContact CB-CD2 4.45Å; I204-L209 HydrophobicContact CB-CG 4.2Å; I204-L209 HydrophobicContact CD1-CD2 4.16Å; I204-L209 HydrophobicContact CG2-CD1 4.27Å; I204-L209 HydrophobicContact CG2-CD2 3.98Å; I204-L209 HydrophobicContact CG2-CG 3.67Å; I204-T230 HydrophobicContact CD1-CG2 4.21Å | ||
| 205 | P | 95.6 | Very high | 95.3 | Very high | 69 Ų | 69 | 52.9 Ų | 52.9 | 45% | 0.448 | 28% | 0.275 | S | S | . | . | trans | -60.6 | 135.9 | 174.8 | -22.1 | 33.4 | 0 | 0 | 0 | 111.4 | D203 P207 T208 L209 | D203-P205 WeakPolarHBondContact O-CD 3.36Å; P205-P207 VanDerWaalsContact C-CD 3.41Å; P205-P207 VanDerWaalsContact C-N 3.29Å; P205-T208 WeakPolarHBondContact O-CB 3.41Å; P205-T208 PolarHBondContact O-N 3.11Å; P205-L209 PolarHBondContact O-N 3.3Å; P205-L209 VanDerWaalsContact O-N 3.12Å | ||
| 206 | I | 95.5 | Very high | 95.2 | Very high | 45 Ų | 45 | 47.4 Ų | 47.4 | 23% | 0.231 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -52.9 | -40.9 | 175.4 | -62.3 | -60.8 | 0 | 0 | 0 | 112.7 | I204 T208 L209 K210 P235 V236 | I204-I206 PolarHBondContact O-N 3.13Å; I206-T208 VanDerWaalsContact C-N 3.32Å; I206-T208 PolarHBondContact O-N 2.9Å; I206-L209 HydrophobicContact CD1-CD1 4.39Å; I206-L209 PolarHBondContact O-N 2.97Å; I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.41Å; I206-K210 PolarHBondContact O-N 2.94Å; I206-P235 HydrophobicContact CG2-CB 4.28Å; I206-V236 HydrophobicContact CD1-CG2 4.01Å; I206-V236 HydrophobicContact CG2-CG2 3.87Å |
| 207 | P | 96.9 | Very high | 95.1 | Very high | 79 Ų | 79 | 49 Ų | 49 | 51% | 0.513 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -58 | -41.9 | 174.2 | -25.6 | 36.1 | 0 | 0 | 0 | 113.1 | P205 L209 K210 E211 | P205-P207 VanDerWaalsContact C-CD 3.41Å; P205-P207 VanDerWaalsContact C-N 3.29Å; P207-L209 PolarHBondContact O-N 2.91Å; P207-K210 WeakPolarHBondContact O-CB 3.35Å; P207-K210 PolarHBondContact O-N 2.91Å; P207-E211 WeakPolarHBondContact O-CG 3.36Å; P207-E211 PolarHBondContact O-N 3.38Å |
| 208 | T | 96.4 | Very high | 95 | Very high | 23 Ų | 23 | 54.7 Ų | 54.7 | 14% | 0.141 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -41.8 | 177.9 | -50.7 | 0 | 0 | 0 | 0 | 111.6 | V179 L183 I204 P205 I206 K210 E211 V212 | V179-T208 HydrophobicContact CG1-CG2 3.78Å; L183-T208 HydrophobicContact CD2-CG2 4.22Å; I204-T208 HydrophobicContact CG2-CG2 4.27Å; P205-T208 WeakPolarHBondContact O-CB 3.41Å; P205-T208 PolarHBondContact O-N 3.11Å; I206-T208 VanDerWaalsContact C-N 3.32Å; I206-T208 PolarHBondContact O-N 2.9Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 2.87Å; T208-E211 WeakPolarHBondContact O-CB 3.3Å; T208-E211 PolarHBondContact O-N 2.91Å; T208-V212 WeakPolarHBondContact O-CG2 3.36Å; T208-V212 PolarHBondContact O-N 2.8Å |
| 209 | L | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -63.9 | -38.5 | 174.6 | -72.9 | 168.1 | 0 | 0 | 0 | 112.1 | L198 I204 P205 I206 P207 V212 F213 I227 S232 V236 | L198-L209 HydrophobicContact CD1-CD2 4.42Å; I204-L209 HydrophobicContact CB-CD1 4.28Å; I204-L209 HydrophobicContact CB-CD2 4.45Å; I204-L209 HydrophobicContact CB-CG 4.2Å; I204-L209 HydrophobicContact CD1-CD2 4.16Å; I204-L209 HydrophobicContact CG2-CD1 4.27Å; I204-L209 HydrophobicContact CG2-CD2 3.98Å; I204-L209 HydrophobicContact CG2-CG 3.67Å; P205-L209 PolarHBondContact O-N 3.3Å; P205-L209 VanDerWaalsContact O-N 3.12Å; I206-L209 HydrophobicContact CD1-CD1 4.39Å; I206-L209 PolarHBondContact O-N 2.97Å; P207-L209 PolarHBondContact O-N 2.91Å; L209-V212 WeakPolarHBondContact O-CB 3.32Å; L209-V212 PolarHBondContact O-N 2.82Å; L209-F213 WeakPolarHBondContact O-CD2 3.27Å; L209-F213 PolarHBondContact O-N 3.1Å; L209-I227 HydrophobicContact CD2-CG2 4.21Å; L209-S232 WeakPolarHBondContact CD1-OG 3.3Å; L209-V236 HydrophobicContact CB-CG1 4.2Å; L209-V236 HydrophobicContact CB-CG2 4.01Å; L209-V236 HydrophobicContact CD1-CG2 4.41Å |
| 210 | K | 97.5 | Very high | 95 | Very high | 82 Ų | 82 | 56 Ų | 56 | 36% | 0.357 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.9 | -45.1 | 173.4 | -71.3 | -179.7 | 70.6 | -153.7 | 0 | 111.4 | I206 P207 T208 V212 F213 D214 P235 V236 A239 | I206-K210 HydrophobicContact CG2-CD 4.45Å; I206-K210 WeakPolarHBondContact O-CG 3.41Å; I206-K210 PolarHBondContact O-N 2.94Å; P207-K210 WeakPolarHBondContact O-CB 3.35Å; P207-K210 PolarHBondContact O-N 2.91Å; T208-K210 VanDerWaalsContact C-N 3.32Å; T208-K210 PolarHBondContact O-N 2.87Å; K210-V212 VanDerWaalsContact C-N 3.26Å; K210-V212 PolarHBondContact O-N 2.73Å; K210-F213 PolarHBondContact O-N 3.39Å; K210-D214 PolarHBondContact O-N 3.13Å; K210-P235 HydrophobicContact CD-CB 4.25Å; K210-V236 HydrophobicContact CG-CG2 4.47Å; K210-A239 HydrophobicContact CB-CB 4.35Å; K210-A239 HydrophobicContact CG-CB 4.22Å |
| 211 | E | 96.9 | Very high | 95.2 | Very high | 102 Ų | 102 | 54 Ų | 54 | 48% | 0.477 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -59.2 | -37.4 | 176.3 | -74.2 | 171 | -165.3 | 0 | 0 | 112 | L183 P207 T208 D214 A215 | L183-E211 HydrophobicContact CD1-CB 4.27Å; L183-E211 HydrophobicContact CD2-CB 4.12Å; P207-E211 WeakPolarHBondContact O-CG 3.36Å; P207-E211 PolarHBondContact O-N 3.38Å; T208-E211 WeakPolarHBondContact O-CB 3.3Å; T208-E211 PolarHBondContact O-N 2.91Å; E211-D214 PolarHBondContact O-N 3.41Å; E211-A215 WeakPolarHBondContact O-CB 3.35Å; E211-A215 PolarHBondContact O-N 3.43Å |
| 212 | V | 97.1 | Very high | 95.4 | Very high | 2 Ų | 2 | 52.8 Ų | 52.8 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.8 | -48.9 | 172 | 169.8 | 0 | 0 | 0 | 0 | 110.9 | L183 I186 T208 L209 K210 A215 M216 L225 | L183-V212 HydrophobicContact CB-CG2 4.43Å; L183-V212 HydrophobicContact CD1-CG2 3.93Å; I186-V212 HydrophobicContact CD1-CG1 4Å; T208-V212 WeakPolarHBondContact O-CG2 3.36Å; T208-V212 PolarHBondContact O-N 2.8Å; L209-V212 WeakPolarHBondContact O-CB 3.32Å; L209-V212 PolarHBondContact O-N 2.82Å; K210-V212 VanDerWaalsContact C-N 3.26Å; K210-V212 PolarHBondContact O-N 2.73Å; V212-A215 PolarHBondContact O-N 2.85Å; V212-M216 WeakPolarHBondContact O-CB 3.37Å; V212-M216 WeakPolarHBondContact O-CG 3.3Å; V212-M216 PolarHBondContact O-N 3.5Å; V212-L225 HydrophobicContact CG1-CD1 4.42Å |
| 213 | F | 97.5 | Very high | 96.2 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.1 | -37.9 | 178.2 | -76.9 | -71 | 0 | 0 | 0 | 113 | L209 K210 M216 K217 L225 I227 V236 A239 C240 M243 L253 | L209-F213 WeakPolarHBondContact O-CD2 3.27Å; L209-F213 PolarHBondContact O-N 3.1Å; K210-F213 PolarHBondContact O-N 3.39Å; F213-M216 WeakPolarHBondContact O-CB 3.4Å; F213-M216 PolarHBondContact O-N 2.96Å; F213-K217 PolarHBondContact O-N 3.16Å; F213-L225 HydrophobicContact CD1-CD2 4.19Å; F213-L225 HydrophobicContact CE1-CD2 3.65Å; F213-L225 HydrophobicContact CZ-CD2 4.16Å; F213-I227 HydrophobicContact CE2-CD1 3.67Å; F213-I227 HydrophobicContact CZ-CD1 3.65Å; F213-I227 HydrophobicContact CZ-CG1 4.26Å; F213-V236 HydrophobicContact CD2-CG1 3.73Å; F213-V236 HydrophobicContact CE2-CG1 3.37Å; F213-V236 HydrophobicContact CZ-CG1 4.45Å; F213-A239 HydrophobicContact CB-CB 3.88Å; F213-C240 HydrophobicContact CD1-CB 3.73Å; F213-C240 HydrophobicContact CD2-CB 4.37Å; F213-C240 HydrophobicContact CE1-CB 3.61Å; F213-C240 HydrophobicContact CE2-CB 4.29Å; F213-C240 HydrophobicContact CG-CB 4.12Å; F213-C240 HydrophobicContact CZ-CB 3.92Å; F213-M243 HydrophobicContact CB-CB 4.38Å; F213-M243 HydrophobicContact CD1-CB 4.36Å; F213-M243 HydrophobicContact CD1-CE 3.65Å; F213-M243 HydrophobicContact CD1-CG 4.44Å; F213-M243 HydrophobicContact CE1-CE 3.86Å; F213-M243 WeakPolarHBondContact O-CB 3.44Å; F213-M243 VanDerWaalsContact O-CG 3.28Å; F213-M243 WeakPolarHBondContact O-CG 3.34Å; F213-L253 HydrophobicContact CE1-CD1 4.25Å |
| 214 | D | 96.9 | Very high | 96.7 | Very high | 66 Ų | 66 | 45.9 Ų | 45.9 | 35% | 0.353 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -65.2 | -43.1 | 176.3 | -74.1 | -36.4 | 0 | 0 | 0 | 111.3 | K210 E211 M216 K217 | K210-D214 PolarHBondContact O-N 3.13Å; E211-D214 PolarHBondContact O-N 3.41Å; D214-M216 VanDerWaalsContact C-N 3.27Å; D214-M216 PolarHBondContact O-N 3.26Å; D214-K217 VanDerWaalsContact O-CB 3.32Å; D214-K217 WeakPolarHBondContact O-CB 3.34Å; D214-K217 PolarHBondContact O-N 3.29Å; D214-K217 IonicContact OD1-NZ 2.8Å; D214-K217 PolarHBondContact OD1-NZ 3.39Å |
| 215 | A | 96.8 | Very high | 96.9 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 12% | 0.116 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -64.2 | -33.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.2 | L183 I186 L187 E211 V212 K217 | L183-A215 HydrophobicContact CD1-CB 4.22Å; I186-A215 HydrophobicContact CG2-CB 3.69Å; L187-A215 HydrophobicContact CD2-CB 3.5Å; L187-A215 VanDerWaalsContact CD2-CB 3.5Å; L187-A215 HydrophobicContact CG-CB 3.88Å; E211-A215 WeakPolarHBondContact O-CB 3.35Å; E211-A215 PolarHBondContact O-N 3.43Å; V212-A215 PolarHBondContact O-N 2.85Å; A215-K217 PolarHBondContact O-N 3.35Å |
| 216 | M | 96.8 | Very high | 97 | Very high | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.7 | -17.2 | 177 | -76 | -70.8 | -61.9 | 0 | 0 | 113.5 | I186 V212 F213 D214 E218 N219 V222 L225 M243 N247 L250 | I186-M216 HydrophobicContact CD1-SD 4.49Å; I186-M216 HydrophobicContact CG2-CG 3.97Å; I186-M216 HydrophobicContact CG2-SD 3.79Å; V212-M216 WeakPolarHBondContact O-CB 3.37Å; V212-M216 WeakPolarHBondContact O-CG 3.3Å; V212-M216 PolarHBondContact O-N 3.5Å; F213-M216 WeakPolarHBondContact O-CB 3.4Å; F213-M216 PolarHBondContact O-N 2.96Å; D214-M216 VanDerWaalsContact C-N 3.27Å; D214-M216 PolarHBondContact O-N 3.26Å; M216-E218 VanDerWaalsContact C-N 3.29Å; M216-E218 PolarHBondContact O-N 3.41Å; M216-N219 PolarHBondContact O-N 3.31Å; M216-N219 HydrophobicContact SD-CB 4.04Å; M216-V222 HydrophobicContact CE-CB 3.71Å; M216-V222 HydrophobicContact CE-CG1 3.63Å; M216-V222 HydrophobicContact SD-CB 3.78Å; M216-V222 HydrophobicContact SD-CG1 3.91Å; M216-V222 HydrophobicContact SD-CG2 4Å; M216-L225 HydrophobicContact CE-CD2 4.42Å; M216-L225 HydrophobicContact CG-CD2 4.37Å; M216-M243 HydrophobicContact CB-CG 3.63Å; M216-M243 HydrophobicContact CB-SD 4.28Å; M216-N247 PolarHBondContact O-ND2 2.86Å; M216-L250 HydrophobicContact CE-CD1 3.83Å |
| 217 | K | 96.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 40.4 Ų | 40.4 | 16% | 0.161 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -44.1 | 176.5 | -74.5 | 167.3 | 174.5 | 164.3 | 0 | 112.3 | F213 D214 A215 E242 M243 E246 | F213-K217 PolarHBondContact O-N 3.16Å; D214-K217 VanDerWaalsContact O-CB 3.32Å; D214-K217 WeakPolarHBondContact O-CB 3.34Å; D214-K217 PolarHBondContact O-N 3.29Å; D214-K217 IonicContact OD1-NZ 2.8Å; D214-K217 PolarHBondContact OD1-NZ 3.39Å; A215-K217 PolarHBondContact O-N 3.35Å; K217-E242 IonicContact NZ-OE2 2.95Å; K217-E242 PolarHBondContact NZ-OE2 2.94Å; K217-M243 HydrophobicContact CG-CB 4.19Å; K217-M243 HydrophobicContact CG-CG 4.46Å; K217-E246 HydrophobicContact CB-CB 4.39Å; K217-E246 HydrophobicContact CG-CB 4.46Å |
| 218 | E | 94.5 | Very high | 97.1 | Very high | 173 Ų | 173 | 37.1 Ų | 37.1 | 81% | 0.808 | 19% | 0.19 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -98.2 | -5.9 | -178 | -60.7 | -173.1 | 174.5 | 0 | 0 | 113.6 | M216 S220 | M216-E218 VanDerWaalsContact C-N 3.29Å; M216-E218 PolarHBondContact O-N 3.41Å; E218-S220 PolarHBondContact O-N 3.45Å |
| 219 | N | 96.9 | Very high | 97 | Very high | 4 Ų | 4 | 37.7 Ų | 37.7 | 2% | 0.021 | 20% | 0.197 | C | C | . | . | trans | -71.8 | 130 | -177.1 | -170.5 | -75.6 | 0 | 0 | 0 | 111.8 | I186 N189 M216 H221 V222 N247 | I186-N219 HydrophobicContact CG2-CB 4.33Å; I186-N219 PolarHBondContact O-ND2 3.41Å; N189-N219 PolarHBondContact OD1-ND2 3.14Å; M216-N219 PolarHBondContact O-N 3.31Å; M216-N219 HydrophobicContact SD-CB 4.04Å; N219-H221 PolarHBondContact OD1-N 2.95Å; N219-V222 WeakPolarHBondContact OD1-CG2 3.23Å; N219-V222 PolarHBondContact OD1-N 3.29Å; N219-N247 PolarHBondContact O-ND2 3.37Å | ||
| 220 | S | 96.5 | Very high | 97 | Very high | 56 Ų | 56 | 37.7 Ų | 37.7 | 39% | 0.392 | 20% | 0.197 | S | C | . | . | S | Bend | trans | -105.8 | -3.8 | -175.6 | 61 | 0 | 0 | 0 | 0 | 114.9 | N189 E218 S249 | N189-S220 PolarHBondContact ND2-OG 2.94Å; N189-S220 PolarHBondContact OD1-N 3Å; N189-S220 PolarHBondContact OD1-OG 3.02Å; E218-S220 PolarHBondContact O-N 3.45Å; S220-S249 WeakPolarHBondContact CA-OG 3.47Å; S220-S249 WeakPolarHBondContact O-CB 3.26Å; S220-S249 PolarHBondContact O-OG 3.25Å |
| 221 | H | 97.3 | Very high | 96.8 | Very high | 64 Ų | 64 | 40.6 Ų | 40.6 | 30% | 0.296 | 21% | 0.206 | S | C | . | . | S | Bend | trans | -117.5 | -29.6 | -167.3 | -65.8 | -59.8 | 0 | 0 | 0 | 114.7 | N189 L193 N219 E223 | N189-H221 PolarHBondContact O-CD2 3.37Å; N189-H221 VanDerWaalsContact O-CD2 3.27Å; N189-H221 PolarHBondContact OD1-CD2 3.02Å; N189-H221 VanDerWaalsContact OD1-CD2 3.24Å; L193-H221 CarbonylContact O-C 3.58Å; N219-H221 PolarHBondContact OD1-N 2.95Å; H221-E223 PolarHBondContact O-N 3.43Å |
| 222 | V | 98.1 | Very high | 96.8 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 18% | 0.183 | C | C | . | . | trans | -73.3 | 117.6 | 179 | 177 | 0 | 0 | 0 | 0 | 109.4 | I186 L193 V196 M216 N219 L250 | I186-V222 HydrophobicContact CG1-CG2 4.48Å; L193-V222 HydrophobicContact CD2-CG2 4.18Å; L193-V222 HydrophobicContact CG-CG2 4.12Å; L193-V222 WeakPolarHBondContact O-CG2 3.35Å; V196-V222 HydrophobicContact CB-CG1 4.35Å; V196-V222 HydrophobicContact CG2-CG1 3.83Å; V196-V222 HydrophobicContact CG2-CG2 3.96Å; M216-V222 HydrophobicContact CE-CB 3.71Å; M216-V222 HydrophobicContact CE-CG1 3.63Å; M216-V222 HydrophobicContact SD-CB 3.78Å; M216-V222 HydrophobicContact SD-CG1 3.91Å; M216-V222 HydrophobicContact SD-CG2 4Å; N219-V222 WeakPolarHBondContact OD1-CG2 3.23Å; N219-V222 PolarHBondContact OD1-N 3.29Å; V222-L250 HydrophobicContact CG1-CD1 4.27Å | ||
| 223 | E | 98.1 | Very high | 96.7 | Very high | 86 Ų | 86 | 38.1 Ų | 38.1 | 40% | 0.402 | 20% | 0.196 | S | C | . | . | trans | -100 | -28.1 | -179.9 | -61.5 | -175 | 162.6 | 0 | 0 | 111.8 | T194 H221 Q251 S252 | T194-E223 PolarHBondContact O-N 3.4Å; H221-E223 PolarHBondContact O-N 3.43Å; E223-Q251 HydrophobicContact CB-CG 4.39Å; E223-Q251 WeakPolarHBondContact O-CA 3.17Å; E223-Q251 PolarHBondContact O-N 3.02Å; E223-Q251 PolarHBondContact OE1-NE2 3.36Å; E223-S252 PolarHBondContact O-N 3Å | ||
| 224 | V | 98.5 | Very high | 96.7 | Very high | 46 Ų | 46 | 39.4 Ų | 39.4 | 28% | 0.279 | 20% | 0.203 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 122 | -176.4 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | T194 E195 V196 S252 | T194-V224 PolarHBondContact O-N 3.48Å; T194-V224 VanDerWaalsContact O-N 3.14Å; E195-V224 WeakPolarHBondContact CA-O 3.36Å; E195-V224 HydrophobicContact CB-CB 4.31Å; E195-V224 HydrophobicContact CG-CB 4.04Å; E195-V224 HydrophobicContact CG-CG1 4.09Å; V196-V224 PolarHBondContact N-O 3.49Å; V224-S252 WeakPolarHBondContact CA-O 3.42Å |
| 225 | L | 98.2 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 124.6 | 175.8 | 176.1 | 61.1 | 0 | 0 | 0 | 110 | V196 V212 F213 M216 I227 L250 S252 L253 N254 | V196-L225 HydrophobicContact CB-CD1 3.76Å; V196-L225 HydrophobicContact CG1-CD1 3.49Å; V196-L225 VanDerWaalsContact CG1-CD1 3.49Å; V196-L225 WeakPolarHBondContact O-CA 3.3Å; V212-L225 HydrophobicContact CG1-CD1 4.42Å; F213-L225 HydrophobicContact CD1-CD2 4.19Å; F213-L225 HydrophobicContact CE1-CD2 3.65Å; F213-L225 HydrophobicContact CZ-CD2 4.16Å; M216-L225 HydrophobicContact CE-CD2 4.42Å; M216-L225 HydrophobicContact CG-CD2 4.37Å; L225-I227 HydrophobicContact CD1-CG2 4.32Å; L225-L250 HydrophobicContact CB-CD1 3.67Å; L225-L250 HydrophobicContact CB-CD2 4.39Å; L225-S252 PolarHBondContact N-O 3.32Å; L225-L253 HydrophobicContact CB-CD1 4.26Å; L225-L253 HydrophobicContact CD2-CD1 4.13Å; L225-L253 HydrophobicContact CG-CD1 4.15Å; L225-L253 WeakPolarHBondContact O-CA 3.35Å; L225-N254 PolarHBondContact O-N 3.35Å |
| 226 | S | 98.2 | Very high | 96.8 | Very high | 11 Ų | 11 | 38.3 Ų | 38.3 | 8% | 0.077 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 121.5 | -179.2 | -166.4 | 0 | 0 | 0 | 0 | 110.8 | V196 L198 N199 N254 | V196-S226 PolarHBondContact O-N 3.09Å; L198-S226 PolarHBondContact N-O 2.95Å; N199-S226 PolarHBondContact ND2-OG 2.84Å; N199-S226 VanDerWaalsContact OD1-C 3.27Å; N199-S226 VanDerWaalsContact OD1-CB 3.3Å; N199-S226 WeakPolarHBondContact OD1-CB 3.45Å; N199-S226 PolarHBondContact OD1-O 3.25Å; N199-S226 PolarHBondContact OD1-OG 3.01Å; S226-N254 WeakPolarHBondContact OG-CB 3.42Å |
| 227 | I | 97.1 | Very high | 96.8 | Very high | 1 Ų | 1 | 38.3 Ų | 38.3 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | trans | -126.7 | 37 | 178.5 | 56.4 | 151.1 | 0 | 0 | 0 | 110.9 | L198 L209 F213 L225 T230 S232 V236 N254 I255 N258 | L198-I227 HydrophobicContact CB-CG2 4.12Å; L198-I227 HydrophobicContact CD1-CG2 4.04Å; L198-I227 HydrophobicContact CG-CG2 4.45Å; L209-I227 HydrophobicContact CD2-CG2 4.21Å; F213-I227 HydrophobicContact CE2-CD1 3.67Å; F213-I227 HydrophobicContact CZ-CD1 3.65Å; F213-I227 HydrophobicContact CZ-CG1 4.26Å; L225-I227 HydrophobicContact CD1-CG2 4.32Å; I227-T230 HydrophobicContact CB-CG2 4.2Å; I227-T230 WeakPolarHBondContact O-CG2 3.35Å; I227-T230 PolarHBondContact O-OG1 3.03Å; I227-S232 WeakPolarHBondContact CD1-OG 3.35Å; I227-V236 HydrophobicContact CD1-CG1 4.19Å; I227-N254 PolarHBondContact N-O 3.1Å; I227-I255 HydrophobicContact CD1-CB 4.44Å; I227-I255 HydrophobicContact CD1-CG2 3.79Å; I227-I255 HydrophobicContact CG1-CB 4.36Å; I227-I255 HydrophobicContact CG1-CG2 3.7Å; I227-N258 PolarHBondContact O-ND2 2.96Å | ||
| 228 | A | 96.7 | Very high | 96.9 | Very high | 11 Ų | 11 | 41.5 Ų | 41.5 | 9% | 0.091 | 21% | 0.21 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | 139.1 | -176.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | N199 N200 T230 E256 | N199-A228 VanDerWaalsContact CA-O 3.32Å; N199-A228 WeakPolarHBondContact CA-O 3.38Å; N199-A228 HydrophobicContact CB-CB 4.45Å; N199-A228 WeakPolarHBondContact OD1-CB 3.43Å; N199-A228 PolarHBondContact OD1-N 3.27Å; N200-A228 PolarHBondContact N-O 2.97Å; A228-T230 VanDerWaalsContact C-N 3.31Å; A228-T230 PolarHBondContact O-N 3.27Å; A228-E256 VanDerWaalsContact CA-O 3.27Å; A228-E256 WeakPolarHBondContact CA-O 3.43Å; A228-E256 HydrophobicContact CB-CB 4.41Å |
| 229 | A | 95.4 | Very high | 97.1 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 28% | 0.281 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.4 | 38.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | E256 S257 | A229-E256 PolarHBondContact N-O 3.46Å; A229-E256 VanDerWaalsContact N-O 3.12Å; A229-S257 WeakPolarHBondContact CA-O 3.21Å |
| 230 | T | 95.6 | Very high | 97.2 | Very high | 2 Ų | 2 | 33.3 Ų | 33.3 | 1% | 0.012 | 17% | 0.172 | C | C | . | . | S | Bend | trans | -101.6 | 6 | 179.5 | 55.1 | 0 | 0 | 0 | 0 | 113.7 | L198 I204 I227 A228 S232 N258 | L198-T230 WeakPolarHBondContact O-CG2 3.16Å; I204-T230 HydrophobicContact CD1-CG2 4.21Å; I227-T230 HydrophobicContact CB-CG2 4.2Å; I227-T230 WeakPolarHBondContact O-CG2 3.35Å; I227-T230 PolarHBondContact O-OG1 3.03Å; A228-T230 VanDerWaalsContact C-N 3.31Å; A228-T230 PolarHBondContact O-N 3.27Å; T230-S232 VanDerWaalsContact C-N 3.25Å; T230-S232 PolarHBondContact O-N 3.33Å; T230-S232 PolarHBondContact OG1-OG 3.07Å; T230-N258 PolarHBondContact N-OD1 2.68Å; T230-N258 VanDerWaalsContact N-OD1 3.11Å; T230-N258 PolarHBondContact OG1-OD1 3.23Å |
| 231 | R | 94.6 | Very high | 97.2 | Very high | 143 Ų | 143 | 30.9 Ų | 30.9 | 54% | 0.54 | 16% | 0.156 | S | C | . | . | trans | 62.1 | 28.4 | -172.6 | -56.7 | 177.6 | 170.5 | 161.9 | -1.4 | 113.8 | D203 N258 F259 | D203-R231 IonicContact OD1-NH1 3.25Å; D203-R231 PolarHBondContact OD1-NH1 2.8Å; R231-N258 PolarHBondContact N-OD1 3.47Å; R231-N258 VanDerWaalsContact N-OD1 3.16Å; R231-F259 HydrophobicContact CB-CD2 4.24Å; R231-F259 HydrophobicContact CB-CE2 4.16Å; R231-F259 HydrophobicContact CG-CE2 3.94Å | ||
| 232 | S | 96 | Very high | 97.2 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -61.9 | 144.3 | 175.3 | -67.3 | 0 | 0 | 0 | 0 | 111.9 | L209 I227 T230 N258 F259 | L209-S232 WeakPolarHBondContact CD1-OG 3.3Å; I227-S232 WeakPolarHBondContact CD1-OG 3.35Å; T230-S232 VanDerWaalsContact C-N 3.25Å; T230-S232 PolarHBondContact O-N 3.33Å; T230-S232 PolarHBondContact OG1-OG 3.07Å; S232-N258 PolarHBondContact N-OD1 2.89Å; S232-F259 CarbonylContact O-C 3.4Å; S232-F259 VanDerWaalsContact O-CA 3.32Å; S232-F259 WeakPolarHBondContact O-CA 3.36Å; S232-F259 WeakPolarHBondContact O-CB 3.47Å; S232-F259 PolarHBondContact O-N 3.44Å | ||
| 233 | N | 95.8 | Very high | 97.2 | Very high | 52 Ų | 52 | 32.5 Ų | 32.5 | 28% | 0.278 | 16% | 0.163 | S | C | . | . | trans | -130.1 | -175.1 | -176.5 | 60.9 | 10.3 | 0 | 0 | 0 | 111.6 | P235 V236 A237 | N233-P235 VanDerWaalsContact OD1-CD 3.25Å; N233-P235 WeakPolarHBondContact OD1-CD 3.41Å; N233-V236 WeakPolarHBondContact O-CA 3.42Å; N233-V236 WeakPolarHBondContact O-CB 3.46Å; N233-V236 PolarHBondContact O-N 2.87Å; N233-A237 PolarHBondContact O-N 2.91Å | ||
| 234 | D | 97.3 | Very high | 97.1 | Very high | 27 Ų | 27 | 28.4 Ų | 28.4 | 14% | 0.144 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -55.2 | -40.3 | -175.3 | -63.5 | -19.2 | 0 | 0 | 0 | 115.2 | V236 A237 Y238 T261 | D234-V236 PolarHBondContact O-N 3.04Å; D234-A237 CarbonylContact O-C 3.54Å; D234-A237 WeakPolarHBondContact O-CA 3.4Å; D234-A237 WeakPolarHBondContact O-CB 3.48Å; D234-A237 PolarHBondContact O-N 3.03Å; D234-Y238 HydrophobicContact CB-CE2 4.02Å; D234-Y238 WeakPolarHBondContact O-CD2 3.31Å; D234-Y238 PolarHBondContact O-N 3.29Å; D234-T261 PolarHBondContact OD1-N 3.32Å; D234-T261 PolarHBondContact OD1-OG1 3.31Å; D234-T261 VanDerWaalsContact OD1-OG1 3.1Å; D234-T261 WeakPolarHBondContact OD2-CB 3.37Å; D234-T261 VanDerWaalsContact OD2-CG2 3.26Å; D234-T261 WeakPolarHBondContact OD2-CG2 3.41Å; D234-T261 PolarHBondContact OD2-OG1 3.31Å |
| 235 | P | 97.6 | Very high | 97 | Very high | 54 Ų | 54 | 32.3 Ų | 32.3 | 35% | 0.351 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -51.9 | -39.4 | 170.2 | -30.8 | 32.7 | 0 | 0 | 0 | 114.9 | I206 K210 N233 A239 | I206-P235 HydrophobicContact CG2-CB 4.28Å; K210-P235 HydrophobicContact CD-CB 4.25Å; N233-P235 VanDerWaalsContact OD1-CD 3.25Å; N233-P235 WeakPolarHBondContact OD1-CD 3.41Å; P235-A239 PolarHBondContact O-N 3.09Å |
| 236 | V | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 37.7 Ų | 37.7 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -71.6 | -39.4 | 175.1 | -177.7 | 0 | 0 | 0 | 0 | 110.1 | I206 L209 K210 F213 I227 N233 D234 Y238 A239 C240 | I206-V236 HydrophobicContact CD1-CG2 4.01Å; I206-V236 HydrophobicContact CG2-CG2 3.87Å; L209-V236 HydrophobicContact CB-CG1 4.2Å; L209-V236 HydrophobicContact CB-CG2 4.01Å; L209-V236 HydrophobicContact CD1-CG2 4.41Å; K210-V236 HydrophobicContact CG-CG2 4.47Å; F213-V236 HydrophobicContact CD2-CG1 3.73Å; F213-V236 HydrophobicContact CE2-CG1 3.37Å; F213-V236 HydrophobicContact CZ-CG1 4.45Å; I227-V236 HydrophobicContact CD1-CG1 4.19Å; N233-V236 WeakPolarHBondContact O-CA 3.42Å; N233-V236 WeakPolarHBondContact O-CB 3.46Å; N233-V236 PolarHBondContact O-N 2.87Å; D234-V236 PolarHBondContact O-N 3.04Å; V236-Y238 VanDerWaalsContact C-N 3.34Å; V236-Y238 PolarHBondContact O-N 3.02Å; V236-A239 PolarHBondContact O-N 3.2Å; V236-C240 WeakPolarHBondContact O-CB 2.77Å; V236-C240 PolarHBondContact O-N 3.43Å |
| 237 | A | 97.8 | Very high | 96.8 | Very high | 1 Ų | 1 | 37.3 Ų | 37.3 | 1% | 0.008 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.5 | -37.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N233 D234 C240 A241 I260 I268 | N233-A237 PolarHBondContact O-N 2.91Å; D234-A237 CarbonylContact O-C 3.54Å; D234-A237 WeakPolarHBondContact O-CA 3.4Å; D234-A237 WeakPolarHBondContact O-CB 3.48Å; D234-A237 PolarHBondContact O-N 3.03Å; A237-C240 WeakPolarHBondContact O-CB 3.49Å; A237-C240 PolarHBondContact O-N 3.36Å; A237-A241 WeakPolarHBondContact O-CB 3.17Å; A237-A241 PolarHBondContact O-N 2.89Å; A237-I260 HydrophobicContact CB-CD1 4.19Å; A237-I260 HydrophobicContact CB-CG1 4.24Å; A237-I260 HydrophobicContact CB-CG2 3.67Å; A237-I268 HydrophobicContact CB-CD1 3.82Å; A237-I268 HydrophobicContact CB-CG1 4.31Å; A237-I268 WeakPolarHBondContact O-CG1 3.33Å |
| 238 | Y | 98.3 | Very high | 96.7 | Very high | 103 Ų | 103 | 42.3 Ų | 42.3 | 40% | 0.404 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -66.9 | -44.3 | 174.9 | -61.1 | -41.7 | 0 | 0 | 0 | 112.1 | D234 V236 C240 A241 E242 A267 | D234-Y238 HydrophobicContact CB-CE2 4.02Å; D234-Y238 WeakPolarHBondContact O-CD2 3.31Å; D234-Y238 PolarHBondContact O-N 3.29Å; V236-Y238 VanDerWaalsContact C-N 3.34Å; V236-Y238 PolarHBondContact O-N 3.02Å; Y238-C240 VanDerWaalsContact C-N 3.29Å; Y238-C240 PolarHBondContact O-N 3.12Å; Y238-A241 WeakPolarHBondContact O-CB 3.44Å; Y238-A241 PolarHBondContact O-N 3.2Å; Y238-A241 VanDerWaalsContact O-N 3.15Å; Y238-E242 PolarHBondContact O-N 3.25Å; Y238-A267 HydrophobicContact CD1-CB 3.69Å; Y238-A267 HydrophobicContact CE1-CB 3.9Å |
| 239 | A | 98.1 | Very high | 96.7 | Very high | 3 Ų | 3 | 43 Ų | 43 | 3% | 0.025 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61 | -40.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | K210 F213 P235 V236 E242 M243 | K210-A239 HydrophobicContact CB-CB 4.35Å; K210-A239 HydrophobicContact CG-CB 4.22Å; F213-A239 HydrophobicContact CB-CB 3.88Å; P235-A239 PolarHBondContact O-N 3.09Å; V236-A239 PolarHBondContact O-N 3.2Å; A239-E242 PolarHBondContact O-N 3.11Å; A239-M243 WeakPolarHBondContact O-CB 3.26Å; A239-M243 PolarHBondContact O-N 3.49Å |
| 240 | C | 97.9 | Very high | 96.8 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.9 | -43.8 | 172.8 | 178.2 | 0 | 0 | 0 | 0 | 112.3 | F213 V236 A237 Y238 E242 M243 L244 L253 I268 | F213-C240 HydrophobicContact CD1-CB 3.73Å; F213-C240 HydrophobicContact CD2-CB 4.37Å; F213-C240 HydrophobicContact CE1-CB 3.61Å; F213-C240 HydrophobicContact CE2-CB 4.29Å; F213-C240 HydrophobicContact CG-CB 4.12Å; F213-C240 HydrophobicContact CZ-CB 3.92Å; V236-C240 WeakPolarHBondContact O-CB 2.77Å; V236-C240 PolarHBondContact O-N 3.43Å; A237-C240 WeakPolarHBondContact O-CB 3.49Å; A237-C240 PolarHBondContact O-N 3.36Å; Y238-C240 VanDerWaalsContact C-N 3.29Å; Y238-C240 PolarHBondContact O-N 3.12Å; C240-E242 PolarHBondContact O-N 3.2Å; C240-M243 PolarHBondContact O-N 2.95Å; C240-L244 VanDerWaalsContact O-CG 3.27Å; C240-L244 WeakPolarHBondContact O-CG 3.42Å; C240-L244 PolarHBondContact O-N 2.94Å; C240-L253 VanDerWaalsContact SG-CD2 3.54Å; C240-I268 HydrophobicContact CB-CD1 4.45Å |
| 241 | A | 97.6 | Very high | 96.9 | Very high | 6 Ų | 6 | 45.4 Ų | 45.4 | 5% | 0.05 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -39.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | A237 Y238 Q245 A267 I268 A271 | A237-A241 WeakPolarHBondContact O-CB 3.17Å; A237-A241 PolarHBondContact O-N 2.89Å; Y238-A241 WeakPolarHBondContact O-CB 3.44Å; Y238-A241 PolarHBondContact O-N 3.2Å; Y238-A241 VanDerWaalsContact O-N 3.15Å; A241-Q245 WeakPolarHBondContact O-CG 3.35Å; A241-Q245 PolarHBondContact O-N 3.44Å; A241-A267 HydrophobicContact CB-CB 3.99Å; A241-I268 HydrophobicContact CB-CG1 4.27Å; A241-A271 HydrophobicContact CB-CB 4.05Å; A241-A271 WeakPolarHBondContact O-CB 3.44Å |
| 242 | E | 97.3 | Very high | 97.1 | Very high | 97 Ų | 97 | 39.5 Ų | 39.5 | 45% | 0.453 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.4 | -45.6 | 173.4 | -68.6 | 178.3 | -173 | 0 | 0 | 111.3 | K217 Y238 A239 C240 L244 Q245 | K217-E242 IonicContact NZ-OE2 2.95Å; K217-E242 PolarHBondContact NZ-OE2 2.94Å; Y238-E242 PolarHBondContact O-N 3.25Å; A239-E242 PolarHBondContact O-N 3.11Å; C240-E242 PolarHBondContact O-N 3.2Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.88Å; E242-Q245 WeakPolarHBondContact O-CB 3.3Å; E242-Q245 PolarHBondContact O-N 3.36Å; E242-Q245 VanDerWaalsContact O-N 3.08Å |
| 243 | M | 97.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -56.2 | -44.6 | 176.4 | -179.6 | -79.6 | -68.5 | 0 | 0 | 112.1 | F213 M216 K217 A239 C240 Q245 E246 N247 L250 | F213-M243 HydrophobicContact CB-CB 4.38Å; F213-M243 HydrophobicContact CD1-CB 4.36Å; F213-M243 HydrophobicContact CD1-CE 3.65Å; F213-M243 HydrophobicContact CD1-CG 4.44Å; F213-M243 HydrophobicContact CE1-CE 3.86Å; F213-M243 WeakPolarHBondContact O-CB 3.44Å; F213-M243 VanDerWaalsContact O-CG 3.28Å; F213-M243 WeakPolarHBondContact O-CG 3.34Å; M216-M243 HydrophobicContact CB-CG 3.63Å; M216-M243 HydrophobicContact CB-SD 4.28Å; K217-M243 HydrophobicContact CG-CB 4.19Å; K217-M243 HydrophobicContact CG-CG 4.46Å; A239-M243 WeakPolarHBondContact O-CB 3.26Å; A239-M243 PolarHBondContact O-N 3.49Å; C240-M243 PolarHBondContact O-N 2.95Å; M243-Q245 PolarHBondContact O-N 3.44Å; M243-E246 PolarHBondContact O-N 2.97Å; M243-E246 VanDerWaalsContact O-N 3.14Å; M243-N247 HydrophobicContact CG-CB 4.22Å; M243-N247 VanDerWaalsContact O-CB 3.25Å; M243-N247 WeakPolarHBondContact O-CB 3.32Å; M243-N247 PolarHBondContact O-N 2.94Å; M243-N247 HydrophobicContact SD-CB 3.55Å; M243-N247 VanDerWaalsContact SD-CB 3.55Å; M243-L250 HydrophobicContact CE-CD2 3.7Å; M243-L250 HydrophobicContact SD-CD2 4.25Å |
| 244 | L | 96.8 | Very high | 97.3 | Very high | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -65.1 | -19.5 | 179.6 | -72.1 | 167.7 | 0 | 0 | 0 | 113.8 | C240 E242 L253 I268 A271 M272 N275 L278 | C240-L244 VanDerWaalsContact O-CG 3.27Å; C240-L244 WeakPolarHBondContact O-CG 3.42Å; C240-L244 PolarHBondContact O-N 2.94Å; E242-L244 VanDerWaalsContact C-N 3.31Å; E242-L244 PolarHBondContact O-N 2.88Å; L244-L253 HydrophobicContact CD1-CD2 4.15Å; L244-L253 HydrophobicContact CD2-CD2 4.21Å; L244-I268 HydrophobicContact CD1-CG2 3.89Å; L244-A271 HydrophobicContact CB-CB 4.16Å; L244-M272 HydrophobicContact CD1-CG 4.05Å; L244-M272 HydrophobicContact CD1-SD 3.73Å; L244-M272 HydrophobicContact CD2-SD 3.87Å; L244-M272 HydrophobicContact CG-SD 4.26Å; L244-N275 WeakPolarHBondContact O-CB 3.45Å; L244-N275 PolarHBondContact O-ND2 3Å; L244-L278 HydrophobicContact CD2-CD2 4.11Å |
| 245 | Q | 95.5 | Very high | 97.3 | Very high | 127 Ų | 127 | 36.7 Ų | 36.7 | 59% | 0.593 | 19% | 0.187 | S | C | * | . | H | α-helix | trans | -80 | -27.6 | 175.9 | -68 | 174.6 | 23.5 | 0 | 0 | 112.6 | A241 E242 M243 A271 | A241-Q245 WeakPolarHBondContact O-CG 3.35Å; A241-Q245 PolarHBondContact O-N 3.44Å; E242-Q245 WeakPolarHBondContact O-CB 3.3Å; E242-Q245 PolarHBondContact O-N 3.36Å; E242-Q245 VanDerWaalsContact O-N 3.08Å; M243-Q245 PolarHBondContact O-N 3.44Å; Q245-A271 HydrophobicContact CG-CB 3.82Å |
| 246 | E | 95.8 | Very high | 97.3 | Very high | 115 Ų | 115 | 36.5 Ų | 36.5 | 54% | 0.537 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -106.2 | -38.3 | -172.9 | -65.1 | 179.9 | -155.2 | 0 | 0 | 112.5 | K217 M243 T248 | K217-E246 HydrophobicContact CB-CB 4.39Å; K217-E246 HydrophobicContact CG-CB 4.46Å; M243-E246 PolarHBondContact O-N 2.97Å; M243-E246 VanDerWaalsContact O-N 3.14Å; E246-T248 PolarHBondContact O-N 3.31Å |
| 247 | N | 96.6 | Very high | 97.2 | Very high | 3 Ų | 3 | 38.5 Ų | 38.5 | 2% | 0.016 | 20% | 0.196 | C | C | . | . | trans | -71.2 | 132.4 | -175.9 | -175.3 | -85.4 | 0 | 0 | 0 | 111.6 | M216 N219 M243 S249 L250 N275 | M216-N247 PolarHBondContact O-ND2 2.86Å; N219-N247 PolarHBondContact O-ND2 3.37Å; M243-N247 HydrophobicContact CG-CB 4.22Å; M243-N247 VanDerWaalsContact O-CB 3.25Å; M243-N247 WeakPolarHBondContact O-CB 3.32Å; M243-N247 PolarHBondContact O-N 2.94Å; M243-N247 HydrophobicContact SD-CB 3.55Å; M243-N247 VanDerWaalsContact SD-CB 3.55Å; N247-S249 PolarHBondContact OD1-N 3.19Å; N247-L250 VanDerWaalsContact OD1-CB 3.25Å; N247-L250 WeakPolarHBondContact OD1-CB 3.3Å; N247-L250 PolarHBondContact OD1-N 3.23Å; N247-N275 PolarHBondContact O-ND2 3.01Å | ||
| 248 | T | 95.1 | Very high | 97.2 | Very high | 106 Ų | 106 | 38.5 Ų | 38.5 | 65% | 0.65 | 20% | 0.196 | S | C | * | . | S | Bend | trans | -118.6 | 11.9 | -179.8 | 60.9 | 0 | 0 | 0 | 0 | 114.2 | E246 T277 | E246-T248 PolarHBondContact O-N 3.31Å; T248-T277 WeakPolarHBondContact O-CG2 3.48Å |
| 249 | S | 96.2 | Very high | 97.1 | Very high | 26 Ų | 26 | 37.8 Ų | 37.8 | 18% | 0.182 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -115.4 | -28.8 | -176 | -71.2 | 0 | 0 | 0 | 0 | 113.6 | S220 N247 Q251 | S220-S249 WeakPolarHBondContact CA-OG 3.47Å; S220-S249 WeakPolarHBondContact O-CB 3.26Å; S220-S249 PolarHBondContact O-OG 3.25Å; N247-S249 PolarHBondContact OD1-N 3.19Å; S249-Q251 PolarHBondContact O-N 3.3Å |
| 250 | L | 97.8 | Very high | 97 | Very high | 1 Ų | 1 | 37.8 Ų | 37.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | trans | -68.1 | 129.2 | -178 | -168.3 | 73 | 0 | 0 | 0 | 110.7 | M216 V222 L225 M243 N247 L253 T277 L278 | M216-L250 HydrophobicContact CE-CD1 3.83Å; V222-L250 HydrophobicContact CG1-CD1 4.27Å; L225-L250 HydrophobicContact CB-CD1 3.67Å; L225-L250 HydrophobicContact CB-CD2 4.39Å; M243-L250 HydrophobicContact CE-CD2 3.7Å; M243-L250 HydrophobicContact SD-CD2 4.25Å; N247-L250 VanDerWaalsContact OD1-CB 3.25Å; N247-L250 WeakPolarHBondContact OD1-CB 3.3Å; N247-L250 PolarHBondContact OD1-N 3.23Å; L250-L253 HydrophobicContact CD2-CB 4.09Å; L250-L253 HydrophobicContact CD2-CD1 4.36Å; L250-T277 CarbonylContact O-C 3.59Å; L250-T277 PolarHBondContact O-OG1 3.03Å; L250-L278 HydrophobicContact CB-CD1 4.37Å; L250-L278 HydrophobicContact CD2-CD1 3.96Å; L250-L278 HydrophobicContact CG-CD1 3.87Å; L250-L278 PolarHBondContact O-N 3.25Å | ||
| 251 | Q | 97.9 | Very high | 97 | Very high | 85 Ų | 85 | 39.5 Ų | 39.5 | 40% | 0.397 | 21% | 0.205 | S | C | . | . | trans | -111.6 | -32.9 | -178.3 | -61.4 | -178.9 | 27.2 | 0 | 0 | 112.4 | E223 S249 V279 E280 | E223-Q251 HydrophobicContact CB-CG 4.39Å; E223-Q251 WeakPolarHBondContact O-CA 3.17Å; E223-Q251 PolarHBondContact O-N 3.02Å; E223-Q251 PolarHBondContact OE1-NE2 3.36Å; S249-Q251 PolarHBondContact O-N 3.3Å; Q251-V279 WeakPolarHBondContact O-CA 3.47Å; Q251-V279 PolarHBondContact O-N 3.31Å; Q251-E280 PolarHBondContact O-N 3.35Å | ||
| 252 | S | 98.3 | Very high | 96.9 | Very high | 19 Ų | 19 | 41.2 Ų | 41.2 | 13% | 0.133 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 125.1 | -179.4 | -167.7 | 0 | 0 | 0 | 0 | 111.3 | E223 V224 L225 E280 | E223-S252 PolarHBondContact O-N 3Å; V224-S252 WeakPolarHBondContact CA-O 3.42Å; L225-S252 PolarHBondContact N-O 3.32Å; S252-E280 WeakPolarHBondContact CA-O 3.3Å |
| 253 | L | 98.4 | Very high | 96.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 125.5 | 178 | 177.5 | 61.5 | 0 | 0 | 0 | 110.3 | F213 L225 C240 L244 L250 I255 L278 E280 L281 K282 | F213-L253 HydrophobicContact CE1-CD1 4.25Å; L225-L253 HydrophobicContact CB-CD1 4.26Å; L225-L253 HydrophobicContact CD2-CD1 4.13Å; L225-L253 HydrophobicContact CG-CD1 4.15Å; L225-L253 WeakPolarHBondContact O-CA 3.35Å; C240-L253 VanDerWaalsContact SG-CD2 3.54Å; L244-L253 HydrophobicContact CD1-CD2 4.15Å; L244-L253 HydrophobicContact CD2-CD2 4.21Å; L250-L253 HydrophobicContact CD2-CB 4.09Å; L250-L253 HydrophobicContact CD2-CD1 4.36Å; L253-I255 HydrophobicContact CD1-CG2 3.89Å; L253-I255 HydrophobicContact CD2-CG2 4.45Å; L253-I255 HydrophobicContact CG-CG2 4.08Å; L253-L278 HydrophobicContact CB-CD1 3.92Å; L253-L278 HydrophobicContact CB-CD2 4.11Å; L253-E280 PolarHBondContact N-O 2.86Å; L253-L281 HydrophobicContact CB-CD1 4.1Å; L253-L281 HydrophobicContact CD2-CD1 3.89Å; L253-L281 HydrophobicContact CG-CD1 4.03Å; L253-L281 WeakPolarHBondContact O-CA 3.24Å; L253-K282 PolarHBondContact O-N 2.94Å |
| 254 | N | 98.4 | Very high | 96.9 | Very high | 17 Ų | 17 | 41.7 Ų | 41.7 | 9% | 0.091 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 117.6 | 173.5 | -173.4 | 0.1 | 0 | 0 | 0 | 111.9 | L225 S226 I227 E256 K282 | L225-N254 PolarHBondContact O-N 3.35Å; S226-N254 WeakPolarHBondContact OG-CB 3.42Å; I227-N254 PolarHBondContact N-O 3.1Å; N254-E256 PolarHBondContact ND2-OE2 3.22Å; N254-E256 VanDerWaalsContact OD1-CB 3.23Å; N254-E256 WeakPolarHBondContact OD1-CB 3.36Å; N254-E256 WeakPolarHBondContact OD1-CG 3.49Å; N254-E256 PolarHBondContact OD1-N 3.41Å; N254-E256 PolarHBondContact OD1-OE2 3.3Å; N254-K282 HydrophobicContact CB-CB 4.19Å; N254-K282 HydrophobicContact CB-CD 4.37Å |
| 255 | I | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 41.6 Ų | 41.6 | 1% | 0.01 | 22% | 0.222 | C | C | . | . | trans | -125 | 23.9 | 176.8 | 63.7 | 178.4 | 0 | 0 | 0 | 111.9 | I227 L253 N258 I260 M265 I268 K282 I283 Q286 | I227-I255 HydrophobicContact CD1-CB 4.44Å; I227-I255 HydrophobicContact CD1-CG2 3.79Å; I227-I255 HydrophobicContact CG1-CB 4.36Å; I227-I255 HydrophobicContact CG1-CG2 3.7Å; L253-I255 HydrophobicContact CD1-CG2 3.89Å; L253-I255 HydrophobicContact CD2-CG2 4.45Å; L253-I255 HydrophobicContact CG-CG2 4.08Å; I255-N258 PolarHBondContact O-ND2 2.77Å; I255-I260 HydrophobicContact CB-CD1 4.3Å; I255-I260 HydrophobicContact CD1-CD1 3.87Å; I255-I260 HydrophobicContact CG1-CD1 4.36Å; I255-M265 HydrophobicContact CD1-CE 4.26Å; I255-I268 HydrophobicContact CD1-CD1 3.43Å; I255-I268 VanDerWaalsContact CD1-CD1 3.43Å; I255-K282 WeakPolarHBondContact CG1-O 3.34Å; I255-K282 PolarHBondContact N-O 3.17Å; I255-I283 HydrophobicContact CD1-CG2 3.8Å; I255-I283 HydrophobicContact CG1-CB 4.36Å; I255-I283 HydrophobicContact CG1-CG2 3.74Å; I255-Q286 PolarHBondContact O-NE2 2.99Å | ||
| 256 | E | 96.8 | Very high | 97 | Very high | 51 Ų | 51 | 37.4 Ų | 37.4 | 24% | 0.238 | 20% | 0.203 | C | C | . | . | trans | -59.2 | 158.2 | 178.5 | -74.4 | 171.4 | 159.7 | 0 | 0 | 113.5 | A228 A229 N254 N258 K282 D284 | A228-E256 VanDerWaalsContact CA-O 3.27Å; A228-E256 WeakPolarHBondContact CA-O 3.43Å; A228-E256 HydrophobicContact CB-CB 4.41Å; A229-E256 PolarHBondContact N-O 3.46Å; A229-E256 VanDerWaalsContact N-O 3.12Å; N254-E256 PolarHBondContact ND2-OE2 3.22Å; N254-E256 VanDerWaalsContact OD1-CB 3.23Å; N254-E256 WeakPolarHBondContact OD1-CB 3.36Å; N254-E256 WeakPolarHBondContact OD1-CG 3.49Å; N254-E256 PolarHBondContact OD1-N 3.41Å; N254-E256 PolarHBondContact OD1-OE2 3.3Å; E256-N258 VanDerWaalsContact C-N 3.3Å; E256-N258 PolarHBondContact O-N 3.41Å; E256-N258 PolarHBondContact O-ND2 2.77Å; E256-N258 VanDerWaalsContact O-ND2 3.13Å; E256-K282 HydrophobicContact CG-CB 3.78Å; E256-K282 WeakPolarHBondContact OE1-CB 3.31Å; E256-D284 VanDerWaalsContact CA-O 3.26Å; E256-D284 WeakPolarHBondContact CA-O 2.91Å; E256-D284 HydrophobicContact CG-CB 4.32Å | ||
| 257 | S | 96.4 | Very high | 97 | Very high | 43 Ų | 43 | 33.1 Ų | 33.1 | 30% | 0.301 | 19% | 0.187 | S | C | . | . | S | Bend | trans | 59.5 | 37.8 | 170.1 | -52.9 | 0 | 0 | 0 | 0 | 114 | A229 D284 N285 | A229-S257 WeakPolarHBondContact CA-O 3.21Å; S257-D284 PolarHBondContact N-O 3.24Å; S257-N285 VanDerWaalsContact CA-O 3.26Å; S257-N285 WeakPolarHBondContact CA-O 3.2Å; S257-N285 PolarHBondContact OG-ND2 3.49Å |
| 258 | N | 97 | Very high | 97.1 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | S | Bend | trans | -116.2 | -170.2 | -179.2 | -78.9 | -55.7 | 0 | 0 | 0 | 111.9 | I227 T230 R231 S232 I255 E256 I260 Q286 R287 | I227-N258 PolarHBondContact O-ND2 2.96Å; T230-N258 PolarHBondContact N-OD1 2.68Å; T230-N258 VanDerWaalsContact N-OD1 3.11Å; T230-N258 PolarHBondContact OG1-OD1 3.23Å; R231-N258 PolarHBondContact N-OD1 3.47Å; R231-N258 VanDerWaalsContact N-OD1 3.16Å; S232-N258 PolarHBondContact N-OD1 2.89Å; I255-N258 PolarHBondContact O-ND2 2.77Å; E256-N258 VanDerWaalsContact C-N 3.3Å; E256-N258 PolarHBondContact O-N 3.41Å; E256-N258 PolarHBondContact O-ND2 2.77Å; E256-N258 VanDerWaalsContact O-ND2 3.13Å; N258-I260 HydrophobicContact CB-CD1 4.43Å; N258-I260 HydrophobicContact CB-CG1 4.3Å; N258-Q286 WeakPolarHBondContact O-CA 3.5Å; N258-Q286 PolarHBondContact O-OE1 2.74Å; N258-R287 PolarHBondContact O-N 2.92Å |
| 259 | F | 96.8 | Very high | 97.1 | Very high | 89 Ų | 89 | 28 Ų | 28 | 39% | 0.39 | 16% | 0.155 | S | C | . | . | trans | -112.6 | 30.6 | -175.4 | -65.5 | -116.8 | 0 | 0 | 0 | 110.8 | R231 S232 R287 | R231-F259 HydrophobicContact CB-CD2 4.24Å; R231-F259 HydrophobicContact CB-CE2 4.16Å; R231-F259 HydrophobicContact CG-CE2 3.94Å; S232-F259 CarbonylContact O-C 3.4Å; S232-F259 VanDerWaalsContact O-CA 3.32Å; S232-F259 WeakPolarHBondContact O-CA 3.36Å; S232-F259 WeakPolarHBondContact O-CB 3.47Å; S232-F259 PolarHBondContact O-N 3.44Å; F259-R287 HydrophobicContact CD1-CB 4.19Å; F259-R287 HydrophobicContact CD1-CG 4.31Å; F259-R287 HydrophobicContact CE1-CG 4.44Å; F259-R287 HydrophobicContact CG-CB 4.37Å | ||
| 260 | I | 96.9 | Very high | 97.1 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 2% | 0.015 | 17% | 0.172 | C | C | . | . | trans | -78.2 | 129 | 178.7 | -57.7 | 171.2 | 0 | 0 | 0 | 108.3 | A237 I255 N258 M265 | A237-I260 HydrophobicContact CB-CD1 4.19Å; A237-I260 HydrophobicContact CB-CG1 4.24Å; A237-I260 HydrophobicContact CB-CG2 3.67Å; I255-I260 HydrophobicContact CB-CD1 4.3Å; I255-I260 HydrophobicContact CD1-CD1 3.87Å; I255-I260 HydrophobicContact CG1-CD1 4.36Å; N258-I260 HydrophobicContact CB-CD1 4.43Å; N258-I260 HydrophobicContact CB-CG1 4.3Å; I260-M265 HydrophobicContact CG2-CB 4.39Å; I260-M265 HydrophobicContact CG2-CE 4.14Å | ||
| 261 | T | 96.7 | Very high | 96.9 | Very high | 38 Ų | 38 | 32.6 Ų | 32.6 | 23% | 0.233 | 17% | 0.172 | C | C | . | . | trans | -87.1 | 178.8 | 179.7 | 78.1 | 0 | 0 | 0 | 0 | 111.4 | D234 D263 G264 M265 | D234-T261 PolarHBondContact OD1-N 3.32Å; D234-T261 PolarHBondContact OD1-OG1 3.31Å; D234-T261 VanDerWaalsContact OD1-OG1 3.1Å; D234-T261 WeakPolarHBondContact OD2-CB 3.37Å; D234-T261 VanDerWaalsContact OD2-CG2 3.26Å; D234-T261 WeakPolarHBondContact OD2-CG2 3.41Å; D234-T261 PolarHBondContact OD2-OG1 3.31Å; T261-D263 PolarHBondContact O-N 3.38Å; T261-D263 PolarHBondContact OG1-N 3.39Å; T261-G264 PolarHBondContact O-N 2.88Å; T261-M265 WeakPolarHBondContact O-CB 3.46Å; T261-M265 PolarHBondContact O-N 2.69Å | ||
| 262 | S | 96.3 | Very high | 96.7 | Very high | 42 Ų | 42 | 28.5 Ų | 28.5 | 29% | 0.294 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -55.5 | -34.9 | 173.2 | 55.3 | 0 | 0 | 0 | 0 | 113 | M266 L290 | S262-M266 WeakPolarHBondContact O-CB 3.32Å; S262-M266 PolarHBondContact O-N 2.77Å; S262-L290 WeakPolarHBondContact CB-O 3.48Å |
| 263 | D | 96.6 | Very high | 96.2 | Very high | 106 Ų | 106 | 29.6 Ų | 29.6 | 57% | 0.567 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -75.5 | -44.7 | -174.8 | -66.6 | -15.7 | 0 | 0 | 0 | 111.4 | T261 M265 M266 A267 | T261-D263 PolarHBondContact O-N 3.38Å; T261-D263 PolarHBondContact OG1-N 3.39Å; D263-M265 VanDerWaalsContact C-N 3.34Å; D263-M266 PolarHBondContact O-N 3.41Å; D263-A267 PolarHBondContact O-N 3.35Å |
| 264 | G | 96.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | T261 A267 I268 | T261-G264 PolarHBondContact O-N 2.88Å; G264-A267 WeakPolarHBondContact O-CB 3.3Å; G264-A267 PolarHBondContact O-N 2.73Å; G264-I268 PolarHBondContact O-N 3.04Å |
| 265 | M | 97.1 | Very high | 95.5 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.7 | -42 | 178.4 | -168.7 | 56 | 63 | 0 | 0 | 112.4 | I255 I260 T261 D263 A267 I268 I269 I283 L290 V294 | I255-M265 HydrophobicContact CD1-CE 4.26Å; I260-M265 HydrophobicContact CG2-CB 4.39Å; I260-M265 HydrophobicContact CG2-CE 4.14Å; T261-M265 WeakPolarHBondContact O-CB 3.46Å; T261-M265 PolarHBondContact O-N 2.69Å; D263-M265 VanDerWaalsContact C-N 3.34Å; M265-A267 PolarHBondContact O-N 3.43Å; M265-I268 PolarHBondContact O-N 3.38Å; M265-I268 VanDerWaalsContact O-N 3.1Å; M265-I268 HydrophobicContact SD-CB 4.42Å; M265-I268 HydrophobicContact SD-CD1 4.44Å; M265-I269 HydrophobicContact CG-CG1 4.29Å; M265-I269 WeakPolarHBondContact O-CG1 3.31Å; M265-I269 PolarHBondContact O-N 2.84Å; M265-I269 HydrophobicContact SD-CD1 4.48Å; M265-I269 HydrophobicContact SD-CG1 4.45Å; M265-I283 HydrophobicContact CE-CB 3.64Å; M265-I283 HydrophobicContact CE-CD1 4.07Å; M265-I283 HydrophobicContact CE-CG1 4.4Å; M265-I283 HydrophobicContact CE-CG2 3.91Å; M265-I283 HydrophobicContact CG-CD1 4.23Å; M265-I283 HydrophobicContact SD-CB 4.03Å; M265-I283 HydrophobicContact SD-CD1 3.54Å; M265-I283 VanDerWaalsContact SD-CD1 3.54Å; M265-I283 HydrophobicContact SD-CG1 4.39Å; M265-I283 HydrophobicContact SD-CG2 3.9Å; M265-L290 HydrophobicContact CB-CD2 3.84Å; M265-L290 HydrophobicContact CE-CD2 4.47Å; M265-L290 HydrophobicContact CG-CD1 3.79Å; M265-L290 HydrophobicContact CG-CD2 3.99Å; M265-V294 HydrophobicContact CB-CG1 4.34Å; M265-V294 HydrophobicContact CG-CG1 3.97Å |
| 266 | M | 97.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 39.7 Ų | 39.7 | 19% | 0.187 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.8 | -37.2 | 175.7 | -179.3 | 62.8 | 64 | 0 | 0 | 111.9 | S262 D263 K270 V294 E297 | S262-M266 WeakPolarHBondContact O-CB 3.32Å; S262-M266 PolarHBondContact O-N 2.77Å; D263-M266 PolarHBondContact O-N 3.41Å; M266-K270 HydrophobicContact CG-CD 4.37Å; M266-K270 WeakPolarHBondContact O-CG 3.39Å; M266-K270 PolarHBondContact O-N 3.1Å; M266-K270 VanDerWaalsContact O-N 3.07Å; M266-K270 HydrophobicContact SD-CD 4.46Å; M266-K270 HydrophobicContact SD-CG 4.49Å; M266-V294 HydrophobicContact CE-CB 4.4Å; M266-V294 HydrophobicContact CE-CG2 3.96Å; M266-E297 HydrophobicContact CE-CB 3.95Å; M266-E297 HydrophobicContact CE-CG 4.27Å; M266-E297 HydrophobicContact SD-CB 4.11Å; M266-E297 HydrophobicContact SD-CG 3.75Å |
| 267 | A | 97.6 | Very high | 95.1 | Very high | 26 Ų | 26 | 39.2 Ų | 39.2 | 22% | 0.215 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y238 A241 D263 G264 M265 I269 K270 A271 | Y238-A267 HydrophobicContact CD1-CB 3.69Å; Y238-A267 HydrophobicContact CE1-CB 3.9Å; A241-A267 HydrophobicContact CB-CB 3.99Å; D263-A267 PolarHBondContact O-N 3.35Å; G264-A267 WeakPolarHBondContact O-CB 3.3Å; G264-A267 PolarHBondContact O-N 2.73Å; M265-A267 PolarHBondContact O-N 3.43Å; A267-I269 PolarHBondContact O-N 3.11Å; A267-K270 PolarHBondContact O-N 2.91Å; A267-A271 PolarHBondContact O-N 3.21Å |
| 268 | I | 97.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -59.8 | -48 | 176.8 | -65.1 | 175 | 0 | 0 | 0 | 110.5 | A237 C240 A241 L244 I255 G264 M265 K270 A271 M272 L281 | A237-I268 HydrophobicContact CB-CD1 3.82Å; A237-I268 HydrophobicContact CB-CG1 4.31Å; A237-I268 WeakPolarHBondContact O-CG1 3.33Å; C240-I268 HydrophobicContact CB-CD1 4.45Å; A241-I268 HydrophobicContact CB-CG1 4.27Å; L244-I268 HydrophobicContact CD1-CG2 3.89Å; I255-I268 HydrophobicContact CD1-CD1 3.43Å; I255-I268 VanDerWaalsContact CD1-CD1 3.43Å; G264-I268 PolarHBondContact O-N 3.04Å; M265-I268 PolarHBondContact O-N 3.38Å; M265-I268 VanDerWaalsContact O-N 3.1Å; M265-I268 HydrophobicContact SD-CB 4.42Å; M265-I268 HydrophobicContact SD-CD1 4.44Å; I268-K270 VanDerWaalsContact C-N 3.33Å; I268-K270 PolarHBondContact O-N 3.44Å; I268-A271 WeakPolarHBondContact O-CB 3.31Å; I268-A271 PolarHBondContact O-N 3.21Å; I268-M272 HydrophobicContact CG2-CG 4.28Å; I268-M272 WeakPolarHBondContact O-CB 3.45Å; I268-M272 VanDerWaalsContact O-CG 3.25Å; I268-M272 WeakPolarHBondContact O-CG 3.41Å; I268-M272 PolarHBondContact O-N 3.24Å; I268-L281 HydrophobicContact CG2-CD2 4.39Å |
| 269 | I | 96.1 | Very high | 95.1 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -63.1 | -38.7 | -178.7 | -61.7 | -54.9 | 0 | 0 | 0 | 111.9 | M265 A267 M272 A273 E297 I298 M301 F311 | M265-I269 HydrophobicContact CG-CG1 4.29Å; M265-I269 WeakPolarHBondContact O-CG1 3.31Å; M265-I269 PolarHBondContact O-N 2.84Å; M265-I269 HydrophobicContact SD-CD1 4.48Å; M265-I269 HydrophobicContact SD-CG1 4.45Å; A267-I269 PolarHBondContact O-N 3.11Å; I269-M272 PolarHBondContact O-N 3.04Å; I269-A273 PolarHBondContact O-N 3.3Å; I269-E297 HydrophobicContact CG2-CB 4.48Å; I269-E297 HydrophobicContact CG2-CG 3.94Å; I269-I298 HydrophobicContact CD1-CD1 4.47Å; I269-I298 HydrophobicContact CD1-CG1 3.69Å; I269-I298 HydrophobicContact CG1-CG1 3.7Å; I269-I298 HydrophobicContact CG2-CG1 4.33Å; I269-M301 HydrophobicContact CD1-CE 3.98Å; I269-M301 HydrophobicContact CG2-CB 3.66Å; I269-M301 HydrophobicContact CG2-CE 4.32Å; I269-M301 HydrophobicContact CG2-CG 4.02Å; I269-M301 WeakPolarHBondContact O-CG 2.88Å; I269-F311 HydrophobicContact CD1-CE2 4.33Å; I269-F311 HydrophobicContact CD1-CZ 4.13Å |
| 270 | K | 95.3 | Very high | 95.2 | Very high | 123 Ų | 123 | 37 Ų | 37 | 54% | 0.535 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.8 | -40.2 | 175 | -75.4 | 176.3 | 178.6 | 176.6 | 0 | 112.7 | M266 A267 I268 M272 A273 | M266-K270 HydrophobicContact CG-CD 4.37Å; M266-K270 WeakPolarHBondContact O-CG 3.39Å; M266-K270 PolarHBondContact O-N 3.1Å; M266-K270 VanDerWaalsContact O-N 3.07Å; M266-K270 HydrophobicContact SD-CD 4.46Å; M266-K270 HydrophobicContact SD-CG 4.49Å; A267-K270 PolarHBondContact O-N 2.91Å; I268-K270 VanDerWaalsContact C-N 3.33Å; I268-K270 PolarHBondContact O-N 3.44Å; K270-M272 VanDerWaalsContact C-N 3.33Å; K270-A273 WeakPolarHBondContact O-CB 3.46Å; K270-A273 PolarHBondContact O-N 2.63Å |
| 271 | A | 95.1 | Very high | 95.2 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.7 | -42.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | A241 L244 Q245 A267 I268 A273 N274 | A241-A271 HydrophobicContact CB-CB 4.05Å; A241-A271 WeakPolarHBondContact O-CB 3.44Å; L244-A271 HydrophobicContact CB-CB 4.16Å; Q245-A271 HydrophobicContact CG-CB 3.82Å; A267-A271 PolarHBondContact O-N 3.21Å; I268-A271 WeakPolarHBondContact O-CB 3.31Å; I268-A271 PolarHBondContact O-N 3.21Å; A271-A273 PolarHBondContact O-N 3.27Å; A271-N274 PolarHBondContact O-N 3.19Å |
| 272 | M | 92.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -23.3 | 179.4 | -77.1 | -59.9 | -53.7 | 0 | 0 | 114.5 | L244 I268 I269 K270 N274 N275 L278 L281 M301 N305 I308 | L244-M272 HydrophobicContact CD1-CG 4.05Å; L244-M272 HydrophobicContact CD1-SD 3.73Å; L244-M272 HydrophobicContact CD2-SD 3.87Å; L244-M272 HydrophobicContact CG-SD 4.26Å; I268-M272 HydrophobicContact CG2-CG 4.28Å; I268-M272 WeakPolarHBondContact O-CB 3.45Å; I268-M272 VanDerWaalsContact O-CG 3.25Å; I268-M272 WeakPolarHBondContact O-CG 3.41Å; I268-M272 PolarHBondContact O-N 3.24Å; I269-M272 PolarHBondContact O-N 3.04Å; K270-M272 VanDerWaalsContact C-N 3.33Å; M272-N274 PolarHBondContact O-N 3.5Å; M272-N275 PolarHBondContact O-N 3.2Å; M272-N275 HydrophobicContact SD-CB 4.38Å; M272-L278 HydrophobicContact CE-CB 3.98Å; M272-L278 HydrophobicContact CE-CD2 3.54Å; M272-L278 HydrophobicContact CE-CG 4.31Å; M272-L278 HydrophobicContact SD-CB 4.41Å; M272-L278 HydrophobicContact SD-CD2 3.5Å; M272-L278 VanDerWaalsContact SD-CD2 3.5Å; M272-L281 HydrophobicContact CE-CD2 4.32Å; M272-L281 HydrophobicContact CG-CD2 3.87Å; M272-L281 HydrophobicContact SD-CD2 4.19Å; M272-M301 HydrophobicContact CB-CE 4.03Å; M272-M301 HydrophobicContact CB-CG 4.16Å; M272-M301 HydrophobicContact CB-SD 3.94Å; M272-N305 PolarHBondContact O-ND2 3.19Å; M272-I308 HydrophobicContact CE-CD1 3.43Å; M272-I308 VanDerWaalsContact CE-CD1 3.43Å; M272-I308 HydrophobicContact CE-CG1 3.84Å |
| 273 | A | 88.5 | Confident | 95.3 | Very high | 42 Ų | 42 | 36 Ų | 36 | 35% | 0.347 | 21% | 0.206 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | -28.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | I269 K270 A271 M301 | I269-A273 PolarHBondContact O-N 3.3Å; K270-A273 WeakPolarHBondContact O-CB 3.46Å; K270-A273 PolarHBondContact O-N 2.63Å; A271-A273 PolarHBondContact O-N 3.27Å; A273-M301 HydrophobicContact CB-CG 4.21Å |
| 274 | N | 87.6 | Confident | 95.3 | Very high | 141 Ų | 141 | 33.5 Ų | 33.5 | 75% | 0.754 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -106.3 | -11.1 | -178.5 | -61.4 | -41.7 | 0 | 0 | 0 | 113.6 | A271 M272 A276 | A271-N274 PolarHBondContact O-N 3.19Å; M272-N274 PolarHBondContact O-N 3.5Å; N274-A276 PolarHBondContact O-N 2.98Å |
| 275 | N | 93.1 | Very high | 95.2 | Very high | 10 Ų | 10 | 38.7 Ų | 38.7 | 5% | 0.053 | 22% | 0.22 | C | C | . | . | trans | -78 | 123.2 | 178.4 | -173.3 | -74.3 | 0 | 0 | 0 | 110.3 | L244 N247 M272 T277 L278 N305 S307 | L244-N275 WeakPolarHBondContact O-CB 3.45Å; L244-N275 PolarHBondContact O-ND2 3Å; N247-N275 PolarHBondContact O-ND2 3.01Å; M272-N275 PolarHBondContact O-N 3.2Å; M272-N275 HydrophobicContact SD-CB 4.38Å; N275-T277 PolarHBondContact ND2-OG1 3.34Å; N275-T277 PolarHBondContact OD1-N 3.42Å; N275-T277 PolarHBondContact OD1-OG1 3.01Å; N275-T277 VanDerWaalsContact OD1-OG1 3.12Å; N275-L278 WeakPolarHBondContact OD1-CB 3.38Å; N275-L278 PolarHBondContact OD1-N 3.12Å; N275-N305 PolarHBondContact O-ND2 2.95Å; N275-S307 PolarHBondContact O-OG 2.96Å | ||
| 276 | A | 91.3 | Very high | 95.2 | Very high | 80 Ų | 80 | 39.7 Ų | 39.7 | 66% | 0.661 | 23% | 0.225 | S | C | * | . | trans | -104.6 | 1.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | N274 S307 | N274-A276 PolarHBondContact O-N 2.98Å; A276-S307 WeakPolarHBondContact O-CB 3.36Å | ||
| 277 | T | 95.1 | Very high | 95 | Very high | 40 Ų | 40 | 46.5 Ų | 46.5 | 25% | 0.245 | 25% | 0.248 | C | C | . | . | S | Bend | trans | -106.1 | -33.9 | -169.8 | 62.6 | 0 | 0 | 0 | 0 | 112.2 | T248 L250 N275 V279 | T248-T277 WeakPolarHBondContact O-CG2 3.48Å; L250-T277 CarbonylContact O-C 3.59Å; L250-T277 PolarHBondContact O-OG1 3.03Å; N275-T277 PolarHBondContact ND2-OG1 3.34Å; N275-T277 PolarHBondContact OD1-N 3.42Å; N275-T277 PolarHBondContact OD1-OG1 3.01Å; N275-T277 VanDerWaalsContact OD1-OG1 3.12Å; T277-V279 PolarHBondContact O-N 2.87Å |
| 278 | L | 96.6 | Very high | 94.7 | Very high | 1 Ų | 1 | 50.9 Ų | 50.9 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | trans | -71.6 | 130.4 | 179.2 | -161.2 | 79.7 | 0 | 0 | 0 | 110.6 | L244 L250 L253 M272 N275 L281 S307 | L244-L278 HydrophobicContact CD2-CD2 4.11Å; L250-L278 HydrophobicContact CB-CD1 4.37Å; L250-L278 HydrophobicContact CD2-CD1 3.96Å; L250-L278 HydrophobicContact CG-CD1 3.87Å; L250-L278 PolarHBondContact O-N 3.25Å; L253-L278 HydrophobicContact CB-CD1 3.92Å; L253-L278 HydrophobicContact CB-CD2 4.11Å; M272-L278 HydrophobicContact CE-CB 3.98Å; M272-L278 HydrophobicContact CE-CD2 3.54Å; M272-L278 HydrophobicContact CE-CG 4.31Å; M272-L278 HydrophobicContact SD-CB 4.41Å; M272-L278 HydrophobicContact SD-CD2 3.5Å; M272-L278 VanDerWaalsContact SD-CD2 3.5Å; N275-L278 WeakPolarHBondContact OD1-CB 3.38Å; N275-L278 PolarHBondContact OD1-N 3.12Å; L278-L281 HydrophobicContact CD2-CB 3.92Å; L278-L281 HydrophobicContact CD2-CD1 4.35Å; L278-L281 HydrophobicContact CD2-CG 4.49Å; L278-S307 CarbonylContact O-C 3.57Å; L278-S307 PolarHBondContact O-OG 3.22Å | ||
| 279 | V | 97.3 | Very high | 94.4 | Very high | 47 Ų | 47 | 59 Ų | 59 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | trans | -108.9 | -35 | -175.5 | 177 | 0 | 0 | 0 | 0 | 111.2 | Q251 T277 L309 K310 | Q251-V279 WeakPolarHBondContact O-CA 3.47Å; Q251-V279 PolarHBondContact O-N 3.31Å; T277-V279 PolarHBondContact O-N 2.87Å; V279-L309 HydrophobicContact CG1-CB 3.85Å; V279-L309 HydrophobicContact CG1-CD1 3.5Å; V279-L309 VanDerWaalsContact CG1-CD1 3.5Å; V279-L309 HydrophobicContact CG1-CG 3.71Å; V279-L309 PolarHBondContact O-N 3.02Å; V279-K310 PolarHBondContact O-N 3.25Å; V279-K310 VanDerWaalsContact O-N 3.13Å | ||
| 280 | E | 97.8 | Very high | 94.2 | Very high | 39 Ų | 39 | 59.2 Ų | 59.2 | 18% | 0.182 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129 | 125.4 | -177.9 | -179.9 | 165.1 | -161.8 | 0 | 0 | 110.7 | Q251 S252 L253 K282 K310 | Q251-E280 PolarHBondContact O-N 3.35Å; S252-E280 WeakPolarHBondContact CA-O 3.3Å; L253-E280 PolarHBondContact N-O 2.86Å; E280-K282 HydrophobicContact CG-CG 4.37Å; E280-K282 WeakPolarHBondContact OE1-CE 3.02Å; E280-K282 IonicContact OE1-NZ 3.23Å; E280-K282 PolarHBondContact OE1-NZ 3.47Å; E280-K310 WeakPolarHBondContact CA-O 3.23Å; E280-K310 HydrophobicContact CB-CB 4.11Å; E280-K310 HydrophobicContact CG-CB 3.86Å; E280-K310 HydrophobicContact CG-CD 4.25Å; E280-K310 IonicContact OE2-NZ 3.2Å |
| 281 | L | 97.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 54.7 Ų | 54.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 122.1 | 175 | 177.3 | 54.6 | 0 | 0 | 0 | 109.5 | L253 I268 M272 L278 I283 K310 F311 G312 | L253-L281 HydrophobicContact CB-CD1 4.1Å; L253-L281 HydrophobicContact CD2-CD1 3.89Å; L253-L281 HydrophobicContact CG-CD1 4.03Å; L253-L281 WeakPolarHBondContact O-CA 3.24Å; I268-L281 HydrophobicContact CG2-CD2 4.39Å; M272-L281 HydrophobicContact CE-CD2 4.32Å; M272-L281 HydrophobicContact CG-CD2 3.87Å; M272-L281 HydrophobicContact SD-CD2 4.19Å; L278-L281 HydrophobicContact CD2-CB 3.92Å; L278-L281 HydrophobicContact CD2-CD1 4.35Å; L278-L281 HydrophobicContact CD2-CG 4.49Å; L281-I283 HydrophobicContact CD1-CG2 3.72Å; L281-I283 HydrophobicContact CD2-CG2 4.31Å; L281-I283 HydrophobicContact CG-CG2 3.81Å; L281-K310 PolarHBondContact N-O 2.89Å; L281-K310 VanDerWaalsContact N-O 3.1Å; L281-F311 HydrophobicContact CB-CD2 4.28Å; L281-F311 HydrophobicContact CB-CE2 4.42Å; L281-F311 HydrophobicContact CD2-CE2 3.91Å; L281-F311 HydrophobicContact CG-CE2 4.22Å; L281-F311 CarbonylContact O-C 3.47Å; L281-F311 WeakPolarHBondContact O-CA 3.43Å; L281-G312 PolarHBondContact O-N 3.34Å |
| 282 | K | 98.1 | Very high | 94.1 | Very high | 63 Ų | 63 | 59 Ų | 59 | 27% | 0.274 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 120.3 | 177.6 | -61.5 | -176.3 | -172.8 | 169.8 | 0 | 110.9 | L253 N254 I255 E256 E280 | L253-K282 PolarHBondContact O-N 2.94Å; N254-K282 HydrophobicContact CB-CB 4.19Å; N254-K282 HydrophobicContact CB-CD 4.37Å; I255-K282 WeakPolarHBondContact CG1-O 3.34Å; I255-K282 PolarHBondContact N-O 3.17Å; E256-K282 HydrophobicContact CG-CB 3.78Å; E256-K282 WeakPolarHBondContact OE1-CB 3.31Å; E280-K282 HydrophobicContact CG-CG 4.37Å; E280-K282 WeakPolarHBondContact OE1-CE 3.02Å; E280-K282 IonicContact OE1-NZ 3.23Å; E280-K282 PolarHBondContact OE1-NZ 3.47Å |
| 283 | I | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | trans | -132.1 | 5.4 | -173.1 | 63.7 | 167.5 | 0 | 0 | 0 | 113.1 | I255 M265 L281 Q286 L290 I298 F311 G312 Y313 | I255-I283 HydrophobicContact CD1-CG2 3.8Å; I255-I283 HydrophobicContact CG1-CB 4.36Å; I255-I283 HydrophobicContact CG1-CG2 3.74Å; M265-I283 HydrophobicContact CE-CB 3.64Å; M265-I283 HydrophobicContact CE-CD1 4.07Å; M265-I283 HydrophobicContact CE-CG1 4.4Å; M265-I283 HydrophobicContact CE-CG2 3.91Å; M265-I283 HydrophobicContact CG-CD1 4.23Å; M265-I283 HydrophobicContact SD-CB 4.03Å; M265-I283 HydrophobicContact SD-CD1 3.54Å; M265-I283 VanDerWaalsContact SD-CD1 3.54Å; M265-I283 HydrophobicContact SD-CG1 4.39Å; M265-I283 HydrophobicContact SD-CG2 3.9Å; L281-I283 HydrophobicContact CD1-CG2 3.72Å; L281-I283 HydrophobicContact CD2-CG2 4.31Å; L281-I283 HydrophobicContact CG-CG2 3.81Å; I283-Q286 WeakPolarHBondContact O-CG 3.49Å; I283-Q286 PolarHBondContact O-NE2 2.89Å; I283-L290 HydrophobicContact CD1-CD1 4.24Å; I283-I298 HydrophobicContact CD1-CD1 4.01Å; I283-F311 HydrophobicContact CD1-CE1 3.97Å; I283-F311 HydrophobicContact CD1-CZ 3.58Å; I283-F311 HydrophobicContact CG1-CE1 4.31Å; I283-F311 HydrophobicContact CG1-CZ 4.16Å; I283-G312 PolarHBondContact N-O 3.24Å; I283-Y313 HydrophobicContact CD1-CD2 4.2Å; I283-Y313 HydrophobicContact CD1-CG 4.26Å; I283-Y313 HydrophobicContact CG1-CD2 4.05Å; I283-Y313 HydrophobicContact CG1-CG 4.21Å | ||
| 284 | D | 95.9 | Very high | 94.6 | Very high | 53 Ų | 53 | 62.2 Ų | 62.2 | 28% | 0.283 | 33% | 0.328 | S | S | . | . | trans | -68.4 | 170 | -173.2 | -148.3 | -5.6 | 0 | 0 | 0 | 113.8 | E256 S257 Q286 G312 H314 | E256-D284 VanDerWaalsContact CA-O 3.26Å; E256-D284 WeakPolarHBondContact CA-O 2.91Å; E256-D284 HydrophobicContact CG-CB 4.32Å; S257-D284 PolarHBondContact N-O 3.24Å; D284-Q286 VanDerWaalsContact C-N 3.28Å; D284-Q286 PolarHBondContact O-N 3.47Å; D284-G312 PolarHBondContact N-O 3.46Å; D284-H314 PolarHBondContact OD1-N 3.43Å; D284-H314 WeakPolarHBondContact OD2-CB 3.42Å; D284-H314 PolarHBondContact OD2-N 3.01Å; D284-H314 VanDerWaalsContact OD2-N 3.11Å | ||
| 285 | N | 96.1 | Very high | 95 | Very high | 109 Ų | 109 | 55.5 Ų | 55.5 | 58% | 0.583 | 29% | 0.292 | S | S | * | . | S | Bend | trans | 57.9 | 32.8 | 174.9 | -165.5 | 39.8 | 0 | 0 | 0 | 114.6 | S257 | S257-N285 VanDerWaalsContact CA-O 3.26Å; S257-N285 WeakPolarHBondContact CA-O 3.2Å; S257-N285 PolarHBondContact OG-ND2 3.49Å |
| 286 | Q | 96.2 | Very high | 95.2 | Very high | 21 Ų | 21 | 59.4 Ų | 59.4 | 10% | 0.098 | 31% | 0.311 | C | S | . | . | trans | -64 | 153.9 | 170.2 | -57.3 | -55.2 | -41.8 | 0 | 0 | 110.8 | I255 N258 I283 D284 Q288 L290 | I255-Q286 PolarHBondContact O-NE2 2.99Å; N258-Q286 WeakPolarHBondContact O-CA 3.5Å; N258-Q286 PolarHBondContact O-OE1 2.74Å; I283-Q286 WeakPolarHBondContact O-CG 3.49Å; I283-Q286 PolarHBondContact O-NE2 2.89Å; D284-Q286 VanDerWaalsContact C-N 3.28Å; D284-Q286 PolarHBondContact O-N 3.47Å; Q286-Q288 PolarHBondContact O-N 3.46Å; Q286-Q288 VanDerWaalsContact O-N 3.11Å; Q286-L290 HydrophobicContact CG-CD2 4.37Å | ||
| 287 | R | 93.2 | Very high | 95.5 | Very high | 180 Ų | 180 | 59 Ų | 59 | 68% | 0.679 | 30% | 0.295 | S | S | * | . | S | Bend | trans | -54.3 | -33.5 | 179.5 | 179 | 170.1 | -177.8 | -135.1 | 6.8 | 113.6 | N258 F259 | N258-R287 PolarHBondContact O-N 2.92Å; F259-R287 HydrophobicContact CD1-CB 4.19Å; F259-R287 HydrophobicContact CD1-CG 4.31Å; F259-R287 HydrophobicContact CE1-CG 4.44Å; F259-R287 HydrophobicContact CG-CB 4.37Å |
| 288 | Q | 91.3 | Very high | 95.5 | Very high | 118 Ų | 118 | 57 Ų | 57 | 55% | 0.551 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -120.9 | 152.4 | 179.3 | -63.9 | -176.1 | 0.4 | 0 | 0 | 110.3 | Q286 | Q286-Q288 PolarHBondContact O-N 3.46Å; Q286-Q288 VanDerWaalsContact O-N 3.11Å |
| 289 | K | 91.6 | Very high | 95.5 | Very high | 170 Ų | 170 | 57 Ų | 57 | 74% | 0.739 | 28% | 0.283 | S | S | * | . | trans | -65.7 | 135.5 | 170.5 | -64.5 | -175.5 | 177.7 | -171.8 | 0 | 109.1 | G291 | K289-G291 VanDerWaalsContact C-N 3.28Å; K289-G291 PolarHBondContact O-N 3.33Å | ||
| 290 | L | 91.7 | Very high | 95.5 | Very high | 5 Ų | 5 | 56.6 Ų | 56.6 | 3% | 0.026 | 28% | 0.282 | C | S | . | . | trans | -69.2 | -26.2 | -177.9 | -60.6 | 179.2 | 0 | 0 | 0 | 113.3 | S262 M265 I283 Q286 V294 I298 Y313 | S262-L290 WeakPolarHBondContact CB-O 3.48Å; M265-L290 HydrophobicContact CB-CD2 3.84Å; M265-L290 HydrophobicContact CE-CD2 4.47Å; M265-L290 HydrophobicContact CG-CD1 3.79Å; M265-L290 HydrophobicContact CG-CD2 3.99Å; I283-L290 HydrophobicContact CD1-CD1 4.24Å; Q286-L290 HydrophobicContact CG-CD2 4.37Å; L290-V294 HydrophobicContact CB-CB 4Å; L290-V294 HydrophobicContact CB-CG1 3.99Å; L290-V294 HydrophobicContact CB-CG2 4.39Å; L290-V294 HydrophobicContact CD1-CG1 4.17Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; L290-I298 HydrophobicContact CD1-CD1 4.3Å; L290-Y313 HydrophobicContact CD1-CD2 4.05Å; L290-Y313 HydrophobicContact CD1-CE2 3.43Å; L290-Y313 VanDerWaalsContact CD1-CE2 3.43Å; L290-Y313 HydrophobicContact CG-CE2 4.1Å | ||
| 291 | G | 93.1 | Very high | 95.4 | Very high | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 27% | 0.274 | S | S | . | . | trans | 89.1 | 160.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | K289 T293 V294 E295 | K289-G291 VanDerWaalsContact C-N 3.28Å; K289-G291 PolarHBondContact O-N 3.33Å; G291-T293 VanDerWaalsContact C-N 3.3Å; G291-T293 PolarHBondContact O-N 2.91Å; G291-V294 PolarHBondContact O-N 2.83Å; G291-E295 PolarHBondContact O-N 3.41Å; G291-E295 VanDerWaalsContact O-N 3.16Å | ||
| 292 | D | 94.8 | Very high | 95.3 | Very high | 92 Ų | 92 | 54.9 Ų | 54.9 | 49% | 0.492 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -63.9 | -32.7 | -169.7 | -62 | -22.8 | 0 | 0 | 0 | 113.3 | E295 M296 Q317 | D292-E295 PolarHBondContact O-N 3.29Å; D292-M296 WeakPolarHBondContact O-CG 3.4Å; D292-M296 PolarHBondContact O-N 3.48Å; D292-Q317 VanDerWaalsContact OD1-CG 3.3Å; D292-Q317 WeakPolarHBondContact OD1-CG 3.3Å; D292-Q317 PolarHBondContact OD1-NE2 3.21Å |
| 293 | T | 95.6 | Very high | 95.2 | Very high | 107 Ų | 107 | 55.4 Ų | 55.4 | 66% | 0.656 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 178.4 | 50.3 | 0 | 0 | 0 | 0 | 111.6 | G291 E297 | G291-T293 VanDerWaalsContact C-N 3.3Å; G291-T293 PolarHBondContact O-N 2.91Å; T293-E297 PolarHBondContact O-N 2.99Å; T293-E297 VanDerWaalsContact O-N 3.13Å |
| 294 | V | 96.1 | Very high | 95.1 | Very high | 2 Ų | 2 | 61.4 Ų | 61.4 | 1% | 0.012 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.6 | -43.2 | 176.6 | -177.1 | 0 | 0 | 0 | 0 | 110.2 | M265 M266 L290 G291 M296 E297 I298 | M265-V294 HydrophobicContact CB-CG1 4.34Å; M265-V294 HydrophobicContact CG-CG1 3.97Å; M266-V294 HydrophobicContact CE-CB 4.4Å; M266-V294 HydrophobicContact CE-CG2 3.96Å; L290-V294 HydrophobicContact CB-CB 4Å; L290-V294 HydrophobicContact CB-CG1 3.99Å; L290-V294 HydrophobicContact CB-CG2 4.39Å; L290-V294 HydrophobicContact CD1-CG1 4.17Å; L290-V294 WeakPolarHBondContact O-CG2 3.2Å; G291-V294 PolarHBondContact O-N 2.83Å; V294-M296 VanDerWaalsContact C-N 3.32Å; V294-M296 PolarHBondContact O-N 3.02Å; V294-E297 PolarHBondContact O-N 3.45Å; V294-E297 VanDerWaalsContact O-N 3.15Å; V294-I298 HydrophobicContact CG1-CD1 3.98Å; V294-I298 HydrophobicContact CG1-CG1 4.3Å; V294-I298 VanDerWaalsContact O-CG1 3.28Å; V294-I298 WeakPolarHBondContact O-CG1 3.32Å; V294-I298 PolarHBondContact O-N 3.43Å |
| 295 | E | 96.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 59.2 Ų | 59.2 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.9 | -41.4 | 177.9 | -67.3 | -162.7 | 177.1 | 0 | 0 | 112.6 | G291 D292 I298 A299 Y313 F315 N316 Q317 P320 | G291-E295 PolarHBondContact O-N 3.41Å; G291-E295 VanDerWaalsContact O-N 3.16Å; D292-E295 PolarHBondContact O-N 3.29Å; E295-I298 PolarHBondContact O-N 3.07Å; E295-A299 PolarHBondContact O-N 3.38Å; E295-A299 VanDerWaalsContact O-N 3.1Å; E295-Y313 HydrophobicContact CG-CE1 3.82Å; E295-Y313 PolarHBondContact OE1-OH 2.95Å; E295-F315 HydrophobicContact CB-CD1 4.13Å; E295-F315 HydrophobicContact CB-CE1 4.49Å; E295-F315 HydrophobicContact CG-CD1 4.23Å; E295-N316 PolarHBondContact OE1-N 3.35Å; E295-N316 PolarHBondContact OE1-ND2 3.09Å; E295-N316 PolarHBondContact OE2-N 3.35Å; E295-Q317 WeakPolarHBondContact OE2-CB 3.36Å; E295-Q317 PolarHBondContact OE2-N 3.35Å; E295-P320 HydrophobicContact CB-CB 4.06Å; E295-P320 HydrophobicContact CB-CG 4.04Å |
| 296 | M | 96.5 | Very high | 94.7 | Very high | 91 Ų | 91 | 57.5 Ų | 57.5 | 45% | 0.448 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.7 | -40.8 | 175.4 | -75.4 | -66.9 | -63.4 | 0 | 0 | 112.2 | D292 V294 A299 S300 P320 | D292-M296 WeakPolarHBondContact O-CG 3.4Å; D292-M296 PolarHBondContact O-N 3.48Å; V294-M296 VanDerWaalsContact C-N 3.32Å; V294-M296 PolarHBondContact O-N 3.02Å; M296-A299 PolarHBondContact O-N 2.85Å; M296-S300 PolarHBondContact O-N 3.32Å; M296-P320 HydrophobicContact CG-CG 4.13Å; M296-P320 HydrophobicContact SD-CG 3.6Å |
| 297 | E | 96.8 | Very high | 94.6 | Very high | 71 Ų | 71 | 57.4 Ų | 57.4 | 33% | 0.332 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -67 | -41.2 | 176.9 | -166.9 | 65.2 | -155 | 0 | 0 | 111.6 | M266 I269 T293 V294 A299 S300 M301 | M266-E297 HydrophobicContact CE-CB 3.95Å; M266-E297 HydrophobicContact CE-CG 4.27Å; M266-E297 HydrophobicContact SD-CB 4.11Å; M266-E297 HydrophobicContact SD-CG 3.75Å; I269-E297 HydrophobicContact CG2-CB 4.48Å; I269-E297 HydrophobicContact CG2-CG 3.94Å; T293-E297 PolarHBondContact O-N 2.99Å; T293-E297 VanDerWaalsContact O-N 3.13Å; V294-E297 PolarHBondContact O-N 3.45Å; V294-E297 VanDerWaalsContact O-N 3.15Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.08Å; E297-S300 PolarHBondContact O-N 3.45Å; E297-S300 VanDerWaalsContact O-N 3.14Å; E297-M301 WeakPolarHBondContact O-CB 3.48Å; E297-M301 PolarHBondContact O-N 3.01Å |
| 298 | I | 96.8 | Very high | 94.7 | Very high | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -54.7 | -48.9 | 174 | -70.9 | 167.4 | 0 | 0 | 0 | 110.1 | I269 I283 L290 V294 E295 S300 M301 L302 F311 Y313 F315 | I269-I298 HydrophobicContact CD1-CD1 4.47Å; I269-I298 HydrophobicContact CD1-CG1 3.69Å; I269-I298 HydrophobicContact CG1-CG1 3.7Å; I269-I298 HydrophobicContact CG2-CG1 4.33Å; I283-I298 HydrophobicContact CD1-CD1 4.01Å; L290-I298 HydrophobicContact CD1-CD1 4.3Å; V294-I298 HydrophobicContact CG1-CD1 3.98Å; V294-I298 HydrophobicContact CG1-CG1 4.3Å; V294-I298 VanDerWaalsContact O-CG1 3.28Å; V294-I298 WeakPolarHBondContact O-CG1 3.32Å; V294-I298 PolarHBondContact O-N 3.43Å; E295-I298 PolarHBondContact O-N 3.07Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.3Å; I298-M301 PolarHBondContact O-N 3.13Å; I298-L302 HydrophobicContact CG2-CD1 3.96Å; I298-L302 HydrophobicContact CG2-CG 4.44Å; I298-L302 WeakPolarHBondContact O-CG 3.09Å; I298-L302 PolarHBondContact O-N 2.68Å; I298-F311 HydrophobicContact CB-CZ 4.46Å; I298-F311 HydrophobicContact CD1-CE1 4.41Å; I298-F311 HydrophobicContact CD1-CZ 4.28Å; I298-F311 HydrophobicContact CG1-CZ 4.23Å; I298-F311 HydrophobicContact CG2-CD1 4.23Å; I298-F311 HydrophobicContact CG2-CE1 3.39Å; I298-F311 HydrophobicContact CG2-CE2 4.22Å; I298-F311 HydrophobicContact CG2-CZ 3.39Å; I298-Y313 HydrophobicContact CD1-CD1 4.29Å; I298-Y313 HydrophobicContact CD1-CE1 4.38Å; I298-F315 HydrophobicContact CB-CE1 4.19Å; I298-F315 HydrophobicContact CB-CZ 4.44Å; I298-F315 HydrophobicContact CG2-CE1 3.78Å; I298-F315 HydrophobicContact CG2-CZ 3.54Å |
| 299 | A | 96.6 | Very high | 95 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.6 | -41.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | E295 M296 E297 L302 E303 P320 R323 | E295-A299 PolarHBondContact O-N 3.38Å; E295-A299 VanDerWaalsContact O-N 3.1Å; M296-A299 PolarHBondContact O-N 2.85Å; E297-A299 VanDerWaalsContact C-N 3.3Å; E297-A299 PolarHBondContact O-N 3.08Å; A299-L302 PolarHBondContact O-N 3.41Å; A299-E303 WeakPolarHBondContact O-CG 3.23Å; A299-E303 PolarHBondContact O-N 2.76Å; A299-E303 VanDerWaalsContact O-N 3.09Å; A299-P320 HydrophobicContact CB-CB 4.12Å; A299-R323 HydrophobicContact CB-CB 3.96Å |
| 300 | S | 96.3 | Very high | 95.2 | Very high | 38 Ų | 38 | 42 Ų | 42 | 27% | 0.266 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.7 | -169.2 | 0 | 0 | 0 | 0 | 112.6 | M296 E297 I298 E303 N304 | M296-S300 PolarHBondContact O-N 3.32Å; E297-S300 PolarHBondContact O-N 3.45Å; E297-S300 VanDerWaalsContact O-N 3.14Å; I298-S300 VanDerWaalsContact C-N 3.34Å; I298-S300 PolarHBondContact O-N 3.3Å; S300-E303 PolarHBondContact O-N 3Å; S300-N304 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-ND2 3.09Å |
| 301 | M | 96.1 | Very high | 95.5 | Very high | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.02 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -48.2 | 176.1 | 178.5 | -79.4 | -71.1 | 0 | 0 | 110.9 | I269 M272 A273 E297 I298 E303 N304 N305 I308 F311 | I269-M301 HydrophobicContact CD1-CE 3.98Å; I269-M301 HydrophobicContact CG2-CB 3.66Å; I269-M301 HydrophobicContact CG2-CE 4.32Å; I269-M301 HydrophobicContact CG2-CG 4.02Å; I269-M301 WeakPolarHBondContact O-CG 2.88Å; M272-M301 HydrophobicContact CB-CE 4.03Å; M272-M301 HydrophobicContact CB-CG 4.16Å; M272-M301 HydrophobicContact CB-SD 3.94Å; A273-M301 HydrophobicContact CB-CG 4.21Å; E297-M301 WeakPolarHBondContact O-CB 3.48Å; E297-M301 PolarHBondContact O-N 3.01Å; I298-M301 PolarHBondContact O-N 3.13Å; M301-E303 VanDerWaalsContact C-N 3.27Å; M301-E303 PolarHBondContact O-N 3.46Å; M301-N304 PolarHBondContact O-N 3.1Å; M301-N304 VanDerWaalsContact O-N 3.13Å; M301-N305 VanDerWaalsContact O-CB 3.3Å; M301-N305 WeakPolarHBondContact O-CB 3.37Å; M301-N305 PolarHBondContact O-N 3.4Å; M301-N305 HydrophobicContact SD-CB 4.03Å; M301-I308 HydrophobicContact CE-CD1 3.85Å; M301-I308 HydrophobicContact SD-CD1 3.58Å; M301-I308 VanDerWaalsContact SD-CD1 3.58Å; M301-F311 HydrophobicContact CE-CE2 3.98Å |
| 302 | L | 96.2 | Very high | 95.6 | Very high | 0 Ų | 0 | 42.8 Ų | 42.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -62.3 | -33.4 | 179.2 | -71.2 | 174.8 | 0 | 0 | 0 | 112.6 | I298 A299 N304 I308 F311 A324 A327 I328 | I298-L302 HydrophobicContact CG2-CD1 3.96Å; I298-L302 HydrophobicContact CG2-CG 4.44Å; I298-L302 WeakPolarHBondContact O-CG 3.09Å; I298-L302 PolarHBondContact O-N 2.68Å; A299-L302 PolarHBondContact O-N 3.41Å; L302-N304 VanDerWaalsContact C-N 3.35Å; L302-I308 HydrophobicContact CD2-CB 4.17Å; L302-I308 HydrophobicContact CD2-CD1 3.78Å; L302-I308 HydrophobicContact CD2-CG2 3.88Å; L302-F311 HydrophobicContact CD1-CB 4.3Å; L302-F311 HydrophobicContact CD1-CD1 4.19Å; L302-F311 HydrophobicContact CD1-CD2 4.28Å; L302-F311 HydrophobicContact CD1-CG 4Å; L302-F311 HydrophobicContact CD2-CB 4.35Å; L302-F311 HydrophobicContact CD2-CD2 3.84Å; L302-F311 HydrophobicContact CD2-CE2 4.43Å; L302-F311 HydrophobicContact CD2-CG 4.2Å; L302-F311 HydrophobicContact CG-CD2 4.46Å; L302-A324 HydrophobicContact CD1-CB 3.56Å; L302-A327 HydrophobicContact CB-CB 4Å; L302-A327 WeakPolarHBondContact O-CB 3.28Å; L302-I328 HydrophobicContact CD2-CD1 4.01Å |
| 303 | E | 95.3 | Very high | 95.7 | Very high | 73 Ų | 73 | 39.7 Ų | 39.7 | 34% | 0.341 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -37 | 175.7 | -78.6 | 176.7 | -176.9 | 0 | 0 | 113 | A299 S300 M301 R323 A327 R330 | A299-E303 WeakPolarHBondContact O-CG 3.23Å; A299-E303 PolarHBondContact O-N 2.76Å; A299-E303 VanDerWaalsContact O-N 3.09Å; S300-E303 PolarHBondContact O-N 3Å; M301-E303 VanDerWaalsContact C-N 3.27Å; M301-E303 PolarHBondContact O-N 3.46Å; E303-R323 WeakPolarHBondContact OE1-CB 3.33Å; E303-R323 IonicContact OE1-CZ 2.81Å; E303-R323 IonicContact OE1-NE 2.67Å; E303-R323 PolarHBondContact OE1-NE 3.09Å; E303-R323 IonicContact OE1-NH2 2.82Å; E303-R323 PolarHBondContact OE1-NH2 3.46Å; E303-R323 IonicContact OE2-CZ 3.2Å; E303-R323 IonicContact OE2-NE 3.79Å; E303-R323 IonicContact OE2-NH2 3Å; E303-R323 PolarHBondContact OE2-NH2 3.3Å; E303-A327 HydrophobicContact CG-CB 4.23Å; E303-R330 PolarHBondContact O-NH2 2.91Å |
| 304 | N | 93.8 | Very high | 95.7 | Very high | 126 Ų | 126 | 40.2 Ų | 40.2 | 67% | 0.674 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -89.1 | -19.7 | -178.2 | -66.1 | -46.2 | 0 | 0 | 0 | 113.2 | S300 M301 L302 | S300-N304 PolarHBondContact O-N 3.09Å; S300-N304 PolarHBondContact O-ND2 3.09Å; M301-N304 PolarHBondContact O-N 3.1Å; M301-N304 VanDerWaalsContact O-N 3.13Å; L302-N304 VanDerWaalsContact C-N 3.35Å |
| 305 | N | 93.1 | Very high | 95.6 | Very high | 7 Ų | 7 | 40.8 Ų | 40.8 | 4% | 0.037 | 21% | 0.213 | C | C | . | . | trans | -94.1 | 128.8 | 176.9 | -172.8 | -52.3 | 0 | 0 | 0 | 110.8 | M272 N275 M301 S307 I308 R330 N331 | M272-N305 PolarHBondContact O-ND2 3.19Å; N275-N305 PolarHBondContact O-ND2 2.95Å; M301-N305 VanDerWaalsContact O-CB 3.3Å; M301-N305 WeakPolarHBondContact O-CB 3.37Å; M301-N305 PolarHBondContact O-N 3.4Å; M301-N305 HydrophobicContact SD-CB 4.03Å; N305-S307 PolarHBondContact OD1-N 3.02Å; N305-S307 PolarHBondContact OD1-OG 2.99Å; N305-I308 HydrophobicContact CB-CD1 4.35Å; N305-I308 PolarHBondContact OD1-N 3.2Å; N305-R330 PolarHBondContact O-NH2 2.83Å; N305-N331 PolarHBondContact O-ND2 3.28Å | ||
| 306 | S | 92.1 | Very high | 95.4 | Very high | 73 Ų | 73 | 44.3 Ų | 44.3 | 51% | 0.51 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -101.8 | -9.4 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 115.4 | N331 | S306-N331 WeakPolarHBondContact CA-OD1 3.4Š|
| 307 | S | 93.9 | Very high | 95.3 | Very high | 19 Ų | 19 | 43.9 Ų | 43.9 | 13% | 0.133 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -83.1 | -33.9 | -176.5 | 67.7 | 0 | 0 | 0 | 0 | 112.6 | N275 A276 L278 N305 L309 | N275-S307 PolarHBondContact O-OG 2.96Å; A276-S307 WeakPolarHBondContact O-CB 3.36Å; L278-S307 CarbonylContact O-C 3.57Å; L278-S307 PolarHBondContact O-OG 3.22Å; N305-S307 PolarHBondContact OD1-N 3.02Å; N305-S307 PolarHBondContact OD1-OG 2.99Å; S307-L309 PolarHBondContact O-N 3.01Å |
| 308 | I | 95.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.244 | C | C | . | . | trans | -70.3 | 125.9 | -176.9 | -59 | 166.7 | 0 | 0 | 0 | 110.8 | M272 M301 L302 N305 F311 I328 N331 | M272-I308 HydrophobicContact CE-CD1 3.43Å; M272-I308 VanDerWaalsContact CE-CD1 3.43Å; M272-I308 HydrophobicContact CE-CG1 3.84Å; M301-I308 HydrophobicContact CE-CD1 3.85Å; M301-I308 HydrophobicContact SD-CD1 3.58Å; M301-I308 VanDerWaalsContact SD-CD1 3.58Å; L302-I308 HydrophobicContact CD2-CB 4.17Å; L302-I308 HydrophobicContact CD2-CD1 3.78Å; L302-I308 HydrophobicContact CD2-CG2 3.88Å; N305-I308 HydrophobicContact CB-CD1 4.35Å; N305-I308 PolarHBondContact OD1-N 3.2Å; I308-F311 HydrophobicContact CG2-CB 4.43Å; I308-F311 HydrophobicContact CG2-CD2 4.46Å; I308-I328 HydrophobicContact CB-CD1 4.49Å; I308-I328 HydrophobicContact CG2-CD1 3.78Å; I308-N331 WeakPolarHBondContact O-CB 3.29Å; I308-N331 PolarHBondContact O-ND2 2.88Å | ||
| 309 | L | 95.9 | Very high | 95.2 | Very high | 25 Ų | 25 | 49.4 Ų | 49.4 | 13% | 0.131 | 27% | 0.266 | C | S | . | . | trans | -113.6 | -22.2 | 178.3 | -57 | 177.8 | 0 | 0 | 0 | 113.4 | V279 S307 I328 N331 N332 I335 | V279-L309 HydrophobicContact CG1-CB 3.85Å; V279-L309 HydrophobicContact CG1-CD1 3.5Å; V279-L309 VanDerWaalsContact CG1-CD1 3.5Å; V279-L309 HydrophobicContact CG1-CG 3.71Å; V279-L309 PolarHBondContact O-N 3.02Å; S307-L309 PolarHBondContact O-N 3.01Å; L309-I328 WeakPolarHBondContact O-CG2 3.16Å; L309-N331 HydrophobicContact CD2-CB 3.8Å; L309-N332 PolarHBondContact O-ND2 3.43Å; L309-N332 VanDerWaalsContact O-ND2 3.12Å; L309-I335 HydrophobicContact CD1-CD1 3.3Å; L309-I335 HydrophobicContact CD2-CD1 3.49Å; L309-I335 VanDerWaalsContact CD2-CD1 3.49Å; L309-I335 HydrophobicContact CD2-CG1 4.33Å; L309-I335 HydrophobicContact CG-CD1 3.87Å | ||
| 310 | K | 96.9 | Very high | 95.2 | Very high | 120 Ų | 120 | 49.7 Ų | 49.7 | 52% | 0.522 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.8 | 124.7 | 179.2 | -66 | 178.5 | -174.4 | 172.2 | 0 | 108.9 | V279 E280 L281 | V279-K310 PolarHBondContact O-N 3.25Å; V279-K310 VanDerWaalsContact O-N 3.13Å; E280-K310 WeakPolarHBondContact CA-O 3.23Å; E280-K310 HydrophobicContact CB-CB 4.11Å; E280-K310 HydrophobicContact CG-CB 3.86Å; E280-K310 HydrophobicContact CG-CD 4.25Å; E280-K310 IonicContact OE2-NZ 3.2Å; L281-K310 PolarHBondContact N-O 2.89Å; L281-K310 VanDerWaalsContact N-O 3.1Å |
| 311 | F | 97.1 | Very high | 95.3 | Very high | 31 Ų | 31 | 53.3 Ų | 53.3 | 14% | 0.136 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 109.2 | 176.6 | -165.2 | -92.8 | 0 | 0 | 0 | 109.1 | I269 L281 I283 I298 M301 L302 I308 Y313 F315 I328 | I269-F311 HydrophobicContact CD1-CE2 4.33Å; I269-F311 HydrophobicContact CD1-CZ 4.13Å; L281-F311 HydrophobicContact CB-CD2 4.28Å; L281-F311 HydrophobicContact CB-CE2 4.42Å; L281-F311 HydrophobicContact CD2-CE2 3.91Å; L281-F311 HydrophobicContact CG-CE2 4.22Å; L281-F311 CarbonylContact O-C 3.47Å; L281-F311 WeakPolarHBondContact O-CA 3.43Å; I283-F311 HydrophobicContact CD1-CE1 3.97Å; I283-F311 HydrophobicContact CD1-CZ 3.58Å; I283-F311 HydrophobicContact CG1-CE1 4.31Å; I283-F311 HydrophobicContact CG1-CZ 4.16Å; I298-F311 HydrophobicContact CB-CZ 4.46Å; I298-F311 HydrophobicContact CD1-CE1 4.41Å; I298-F311 HydrophobicContact CD1-CZ 4.28Å; I298-F311 HydrophobicContact CG1-CZ 4.23Å; I298-F311 HydrophobicContact CG2-CD1 4.23Å; I298-F311 HydrophobicContact CG2-CE1 3.39Å; I298-F311 HydrophobicContact CG2-CE2 4.22Å; I298-F311 HydrophobicContact CG2-CZ 3.39Å; M301-F311 HydrophobicContact CE-CE2 3.98Å; L302-F311 HydrophobicContact CD1-CB 4.3Å; L302-F311 HydrophobicContact CD1-CD1 4.19Å; L302-F311 HydrophobicContact CD1-CD2 4.28Å; L302-F311 HydrophobicContact CD1-CG 4Å; L302-F311 HydrophobicContact CD2-CB 4.35Å; L302-F311 HydrophobicContact CD2-CD2 3.84Å; L302-F311 HydrophobicContact CD2-CE2 4.43Å; L302-F311 HydrophobicContact CD2-CG 4.2Å; L302-F311 HydrophobicContact CG-CD2 4.46Å; I308-F311 HydrophobicContact CG2-CB 4.43Å; I308-F311 HydrophobicContact CG2-CD2 4.46Å; F311-Y313 VanDerWaalsContact CE1-CB 3.47Å; F311-Y313 HydrophobicContact CE1-CD1 4.48Å; F311-Y313 HydrophobicContact CE1-CG 4.26Å; F311-Y313 PolarHBondContact O-N 3.35Å; F311-F315 HydrophobicContact CD1-CE2 4.42Å; F311-F315 HydrophobicContact CD1-CZ 4.42Å; F311-F315 HydrophobicContact CE1-CZ 4.31Å; F311-I328 HydrophobicContact CB-CD1 4.15Å |
| 312 | G | 96.1 | Very high | 95.3 | Very high | 20 Ų | 20 | 55.5 Ų | 55.5 | 21% | 0.206 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 90.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111 | L281 I283 D284 | L281-G312 PolarHBondContact O-N 3.34Å; I283-G312 PolarHBondContact N-O 3.24Å; D284-G312 PolarHBondContact N-O 3.46Å |
| 313 | Y | 96.8 | Very high | 95.4 | Very high | 27 Ų | 27 | 59.1 Ų | 59.1 | 11% | 0.106 | 31% | 0.308 | C | S | . | . | trans | -158 | 134.3 | 172 | 178.4 | -110.1 | 0 | 0 | 0 | 110.8 | I283 L290 E295 I298 F311 F315 | I283-Y313 HydrophobicContact CD1-CD2 4.2Å; I283-Y313 HydrophobicContact CD1-CG 4.26Å; I283-Y313 HydrophobicContact CG1-CD2 4.05Å; I283-Y313 HydrophobicContact CG1-CG 4.21Å; L290-Y313 HydrophobicContact CD1-CD2 4.05Å; L290-Y313 HydrophobicContact CD1-CE2 3.43Å; L290-Y313 VanDerWaalsContact CD1-CE2 3.43Å; L290-Y313 HydrophobicContact CG-CE2 4.1Å; E295-Y313 HydrophobicContact CG-CE1 3.82Å; E295-Y313 PolarHBondContact OE1-OH 2.95Å; I298-Y313 HydrophobicContact CD1-CD1 4.29Å; I298-Y313 HydrophobicContact CD1-CE1 4.38Å; F311-Y313 VanDerWaalsContact CE1-CB 3.47Å; F311-Y313 HydrophobicContact CE1-CD1 4.48Å; F311-Y313 HydrophobicContact CE1-CG 4.26Å; F311-Y313 PolarHBondContact O-N 3.35Å; Y313-F315 AromaticContact CD1-CD1 3.88Å; Y313-F315 HydrophobicContact CD1-CD1 3.88Å; Y313-F315 AromaticContact CD1-CD2 3.94Å; Y313-F315 HydrophobicContact CD1-CD2 3.94Å; Y313-F315 AromaticContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE2 4.01Å; Y313-F315 AromaticContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CZ 4.04Å; Y313-F315 HydrophobicContact CE1-CB 4.41Å; Y313-F315 AromaticContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CE1 4.22Å; Y313-F315 HydrophobicContact CE1-CG 4.01Å; Y313-F315 PolarHBondContact O-N 3.37Å | ||
| 314 | H | 95.1 | Very high | 95.5 | Very high | 117 Ų | 117 | 55.8 Ų | 55.8 | 54% | 0.542 | 29% | 0.293 | S | S | . | . | trans | -85.9 | 104.1 | 171.5 | -172.8 | 77.1 | 0 | 0 | 0 | 111.9 | D284 | D284-H314 PolarHBondContact OD1-N 3.43Å; D284-H314 WeakPolarHBondContact OD2-CB 3.42Å; D284-H314 PolarHBondContact OD2-N 3.01Å; D284-H314 VanDerWaalsContact OD2-N 3.11Å | ||
| 315 | F | 94.6 | Very high | 95.6 | Very high | 14 Ų | 14 | 52.4 Ų | 52.4 | 6% | 0.061 | 28% | 0.282 | C | S | . | . | trans | -70 | 129.3 | 174.1 | -66.7 | -91 | 0 | 0 | 0 | 112.1 | E295 I298 F311 Y313 P320 R321 A324 | E295-F315 HydrophobicContact CB-CD1 4.13Å; E295-F315 HydrophobicContact CB-CE1 4.49Å; E295-F315 HydrophobicContact CG-CD1 4.23Å; I298-F315 HydrophobicContact CB-CE1 4.19Å; I298-F315 HydrophobicContact CB-CZ 4.44Å; I298-F315 HydrophobicContact CG2-CE1 3.78Å; I298-F315 HydrophobicContact CG2-CZ 3.54Å; F311-F315 HydrophobicContact CD1-CE2 4.42Å; F311-F315 HydrophobicContact CD1-CZ 4.42Å; F311-F315 HydrophobicContact CE1-CZ 4.31Å; Y313-F315 AromaticContact CD1-CD1 3.88Å; Y313-F315 HydrophobicContact CD1-CD1 3.88Å; Y313-F315 AromaticContact CD1-CD2 3.94Å; Y313-F315 HydrophobicContact CD1-CD2 3.94Å; Y313-F315 AromaticContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE1 3.97Å; Y313-F315 HydrophobicContact CD1-CE2 4.01Å; Y313-F315 AromaticContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CG 3.88Å; Y313-F315 HydrophobicContact CD1-CZ 4.04Å; Y313-F315 HydrophobicContact CE1-CB 4.41Å; Y313-F315 AromaticContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CD1 3.83Å; Y313-F315 HydrophobicContact CE1-CE1 4.22Å; Y313-F315 HydrophobicContact CE1-CG 4.01Å; Y313-F315 PolarHBondContact O-N 3.37Å; F315-P320 HydrophobicContact CD1-CB 3.67Å; F315-P320 HydrophobicContact CE1-CB 3.93Å; F315-R321 HydrophobicContact CB-CB 3.63Å; F315-R321 HydrophobicContact CB-CG 4.04Å; F315-R321 HydrophobicContact CD2-CB 4.29Å; F315-R321 HydrophobicContact CD2-CG 4.29Å; F315-R321 HydrophobicContact CG-CB 4.03Å; F315-R321 HydrophobicContact CG-CG 4.44Å; F315-A324 HydrophobicContact CE1-CB 4.34Å; F315-A324 HydrophobicContact CE2-CB 3.65Å; F315-A324 HydrophobicContact CZ-CB 3.49Å; F315-A324 VanDerWaalsContact CZ-CB 3.49Å | ||
| 316 | N | 92.9 | Very high | 95.8 | Very high | 75 Ų | 75 | 58.7 Ų | 58.7 | 40% | 0.401 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -78 | -36.1 | 172.4 | -61.5 | -78.6 | 0 | 0 | 0 | 111.1 | E295 | E295-N316 PolarHBondContact OE1-N 3.35Å; E295-N316 PolarHBondContact OE1-ND2 3.09Å; E295-N316 PolarHBondContact OE2-N 3.35Å |
| 317 | Q | 94.2 | Very high | 96 | Very high | 82 Ų | 82 | 55.4 Ų | 55.4 | 38% | 0.383 | 29% | 0.291 | S | S | . | . | S | Bend | trans | -91.3 | 131.9 | -177.4 | -60.7 | -61.4 | -23.2 | 0 | 0 | 111.9 | D292 E295 G319 P320 R321 | D292-Q317 VanDerWaalsContact OD1-CG 3.3Å; D292-Q317 WeakPolarHBondContact OD1-CG 3.3Å; D292-Q317 PolarHBondContact OD1-NE2 3.21Å; E295-Q317 WeakPolarHBondContact OE2-CB 3.36Å; E295-Q317 PolarHBondContact OE2-N 3.35Å; Q317-G319 VanDerWaalsContact C-N 3.31Å; Q317-G319 PolarHBondContact O-N 2.87Å; Q317-P320 HydrophobicContact CB-CG 3.91Å; Q317-R321 VanDerWaalsContact O-CB 3.3Å; Q317-R321 WeakPolarHBondContact O-CB 3.24Å; Q317-R321 PolarHBondContact O-N 3Å |
| 318 | Q | 94.3 | Very high | 96.2 | Very high | 142 Ų | 142 | 55.9 Ų | 55.9 | 66% | 0.664 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -64.7 | -34 | -179.1 | -177.2 | 169.7 | 19.5 | 0 | 0 | 113.1 | A322 | Q318-A322 WeakPolarHBondContact O-CB 3.4Å; Q318-A322 PolarHBondContact O-N 2.97Å |
| 319 | G | 96.4 | Very high | 96.3 | Very high | 44 Ų | 44 | 60.5 Ų | 60.5 | 45% | 0.454 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.6 | -64 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q317 R321 A322 R323 | Q317-G319 VanDerWaalsContact C-N 3.31Å; Q317-G319 PolarHBondContact O-N 2.87Å; G319-R321 VanDerWaalsContact C-N 3.26Å; G319-R321 PolarHBondContact O-N 2.74Å; G319-A322 PolarHBondContact O-N 2.84Å; G319-R323 PolarHBondContact O-N 2.96Å; G319-R323 VanDerWaalsContact O-N 3.17Å |
| 320 | P | 96.9 | Very high | 96.3 | Very high | 6 Ų | 6 | 64 Ų | 64 | 4% | 0.039 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -50.8 | -43.3 | 172.5 | -30.5 | 36.6 | 0 | 0 | 0 | 113.6 | E295 M296 A299 F315 Q317 A322 R323 A324 | E295-P320 HydrophobicContact CB-CB 4.06Å; E295-P320 HydrophobicContact CB-CG 4.04Å; M296-P320 HydrophobicContact CG-CG 4.13Å; M296-P320 HydrophobicContact SD-CG 3.6Å; A299-P320 HydrophobicContact CB-CB 4.12Å; F315-P320 HydrophobicContact CD1-CB 3.67Å; F315-P320 HydrophobicContact CE1-CB 3.93Å; Q317-P320 HydrophobicContact CB-CG 3.91Å; P320-A322 PolarHBondContact O-N 3.05Å; P320-R323 PolarHBondContact O-N 3.5Å; P320-A324 VanDerWaalsContact O-CB 3.3Å; P320-A324 WeakPolarHBondContact O-CB 3.42Å; P320-A324 PolarHBondContact O-N 3.5Å |
| 321 | R | 97.3 | Very high | 96.2 | Very high | 115 Ų | 115 | 58.2 Ų | 58.2 | 43% | 0.434 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.3 | -47.7 | 179.1 | -171 | 175.6 | 64 | -177.4 | -0 | 112.7 | F315 Q317 G319 A325 | F315-R321 HydrophobicContact CB-CB 3.63Å; F315-R321 HydrophobicContact CB-CG 4.04Å; F315-R321 HydrophobicContact CD2-CB 4.29Å; F315-R321 HydrophobicContact CD2-CG 4.29Å; F315-R321 HydrophobicContact CG-CB 4.03Å; F315-R321 HydrophobicContact CG-CG 4.44Å; Q317-R321 VanDerWaalsContact O-CB 3.3Å; Q317-R321 WeakPolarHBondContact O-CB 3.24Å; Q317-R321 PolarHBondContact O-N 3Å; G319-R321 VanDerWaalsContact C-N 3.26Å; G319-R321 PolarHBondContact O-N 2.74Å; R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.91Å |
| 322 | A | 97.4 | Very high | 96.2 | Very high | 49 Ų | 49 | 60.1 Ų | 60.1 | 41% | 0.405 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -65.5 | -44 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q318 G319 P320 A325 M326 | Q318-A322 WeakPolarHBondContact O-CB 3.4Å; Q318-A322 PolarHBondContact O-N 2.97Å; G319-A322 PolarHBondContact O-N 2.84Å; P320-A322 PolarHBondContact O-N 3.05Å; A322-A325 PolarHBondContact O-N 3.36Å; A322-M326 VanDerWaalsContact O-CG 3.3Å; A322-M326 WeakPolarHBondContact O-CG 3.32Å; A322-M326 PolarHBondContact O-N 3.16Å |
| 323 | R | 97.4 | Very high | 96.2 | Very high | 76 Ų | 76 | 61.9 Ų | 61.9 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 177.1 | -71.7 | 177.6 | 69.8 | -166.2 | 0.2 | 112.1 | A299 E303 G319 P320 A325 M326 A327 | A299-R323 HydrophobicContact CB-CB 3.96Å; E303-R323 WeakPolarHBondContact OE1-CB 3.33Å; E303-R323 IonicContact OE1-CZ 2.81Å; E303-R323 IonicContact OE1-NE 2.67Å; E303-R323 PolarHBondContact OE1-NE 3.09Å; E303-R323 IonicContact OE1-NH2 2.82Å; E303-R323 PolarHBondContact OE1-NH2 3.46Å; E303-R323 IonicContact OE2-CZ 3.2Å; E303-R323 IonicContact OE2-NE 3.79Å; E303-R323 IonicContact OE2-NH2 3Å; E303-R323 PolarHBondContact OE2-NH2 3.3Å; G319-R323 PolarHBondContact O-N 2.96Å; G319-R323 VanDerWaalsContact O-N 3.17Å; P320-R323 PolarHBondContact O-N 3.5Å; R323-A325 PolarHBondContact O-N 2.9Å; R323-M326 PolarHBondContact O-N 3.38Å; R323-A327 PolarHBondContact O-N 3.03Å |
| 324 | A | 96.9 | Very high | 96 | Very high | 4 Ų | 4 | 63.5 Ų | 63.5 | 3% | 0.033 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L302 F315 P320 M326 A327 I328 | L302-A324 HydrophobicContact CD1-CB 3.56Å; F315-A324 HydrophobicContact CE1-CB 4.34Å; F315-A324 HydrophobicContact CE2-CB 3.65Å; F315-A324 HydrophobicContact CZ-CB 3.49Å; F315-A324 VanDerWaalsContact CZ-CB 3.49Å; P320-A324 VanDerWaalsContact O-CB 3.3Å; P320-A324 WeakPolarHBondContact O-CB 3.42Å; P320-A324 PolarHBondContact O-N 3.5Å; A324-M326 VanDerWaalsContact C-N 3.34Å; A324-M326 PolarHBondContact O-N 3.27Å; A324-A327 PolarHBondContact O-N 3.5Å; A324-I328 WeakPolarHBondContact O-CG1 3.41Å; A324-I328 PolarHBondContact O-N 2.92Å |
| 325 | A | 97 | Very high | 95.8 | Very high | 54 Ų | 54 | 60 Ų | 60 | 45% | 0.446 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.3 | -41.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | R321 A322 R323 T329 | R321-A325 WeakPolarHBondContact O-CB 3.46Å; R321-A325 PolarHBondContact O-N 2.91Å; A322-A325 PolarHBondContact O-N 3.36Å; R323-A325 PolarHBondContact O-N 2.9Å; A325-T329 WeakPolarHBondContact O-CB 3.18Å; A325-T329 PolarHBondContact O-N 3.3Å; A325-T329 PolarHBondContact O-OG1 2.87Å |
| 326 | M | 97.4 | Very high | 95.8 | Very high | 140 Ų | 140 | 65.3 Ų | 65.3 | 69% | 0.69 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -63.6 | -44.2 | 175.4 | -71.8 | 173.2 | 65.8 | 0 | 0 | 111.8 | A322 R323 A324 T329 R330 | A322-M326 VanDerWaalsContact O-CG 3.3Å; A322-M326 WeakPolarHBondContact O-CG 3.32Å; A322-M326 PolarHBondContact O-N 3.16Å; R323-M326 PolarHBondContact O-N 3.38Å; A324-M326 VanDerWaalsContact C-N 3.34Å; A324-M326 PolarHBondContact O-N 3.27Å; M326-T329 PolarHBondContact O-N 3.16Å; M326-R330 WeakPolarHBondContact O-CB 3.44Å; M326-R330 PolarHBondContact O-N 3.07Å |
| 327 | A | 96.7 | Very high | 95.8 | Very high | 4 Ų | 4 | 65.7 Ų | 65.7 | 3% | 0.033 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | L302 E303 R323 A324 T329 R330 N331 | L302-A327 HydrophobicContact CB-CB 4Å; L302-A327 WeakPolarHBondContact O-CB 3.28Å; E303-A327 HydrophobicContact CG-CB 4.23Å; R323-A327 PolarHBondContact O-N 3.03Å; A324-A327 PolarHBondContact O-N 3.5Å; A327-T329 VanDerWaalsContact C-N 3.34Å; A327-T329 PolarHBondContact O-N 3.45Å; A327-R330 WeakPolarHBondContact O-CB 3.46Å; A327-R330 PolarHBondContact O-N 3.3Å; A327-N331 VanDerWaalsContact O-CG 3.31Å; A327-N331 PolarHBondContact O-N 3.35Å; A327-N331 PolarHBondContact O-OD1 2.97Å |
| 328 | I | 96.8 | Very high | 95.7 | Very high | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.149 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -63.3 | -40.2 | 176.4 | -66.8 | -62.7 | 0 | 0 | 0 | 111.6 | L302 I308 L309 F311 A324 N331 N332 | L302-I328 HydrophobicContact CD2-CD1 4.01Å; I308-I328 HydrophobicContact CB-CD1 4.49Å; I308-I328 HydrophobicContact CG2-CD1 3.78Å; L309-I328 WeakPolarHBondContact O-CG2 3.16Å; F311-I328 HydrophobicContact CB-CD1 4.15Å; A324-I328 WeakPolarHBondContact O-CG1 3.41Å; A324-I328 PolarHBondContact O-N 2.92Å; I328-N331 PolarHBondContact O-N 2.99Å; I328-N332 WeakPolarHBondContact CG2-ND2 3.41Å; I328-N332 PolarHBondContact O-N 3.26Å; I328-N332 PolarHBondContact O-ND2 2.91Å |
| 329 | T | 97.3 | Very high | 95.5 | Very high | 96 Ų | 96 | 71 Ų | 71 | 59% | 0.589 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 176.8 | -57.7 | 0 | 0 | 0 | 0 | 111 | A325 M326 A327 N331 N332 D333 | A325-T329 WeakPolarHBondContact O-CB 3.18Å; A325-T329 PolarHBondContact O-N 3.3Å; A325-T329 PolarHBondContact O-OG1 2.87Å; M326-T329 PolarHBondContact O-N 3.16Å; A327-T329 VanDerWaalsContact C-N 3.34Å; A327-T329 PolarHBondContact O-N 3.45Å; T329-N331 PolarHBondContact O-N 3.36Å; T329-N332 PolarHBondContact O-N 3.23Å; T329-D333 WeakPolarHBondContact O-CB 3.31Å; T329-D333 PolarHBondContact O-N 3.04Å |
| 330 | R | 96.8 | Very high | 95 | Very high | 98 Ų | 98 | 75 Ų | 75 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -58.1 | -46.9 | 174.3 | 176.2 | -172.4 | 63.9 | 80 | 1.6 | 111.3 | E303 N305 M326 A327 D333 M334 | E303-R330 PolarHBondContact O-NH2 2.91Å; N305-R330 PolarHBondContact O-NH2 2.83Å; M326-R330 WeakPolarHBondContact O-CB 3.44Å; M326-R330 PolarHBondContact O-N 3.07Å; A327-R330 WeakPolarHBondContact O-CB 3.46Å; A327-R330 PolarHBondContact O-N 3.3Å; R330-D333 PolarHBondContact O-N 2.99Å; R330-M334 HydrophobicContact CG-CE 4.48Å; R330-M334 WeakPolarHBondContact O-CG 3.44Å; R330-M334 PolarHBondContact O-N 2.93Å |
| 331 | N | 95.4 | Very high | 93.8 | Very high | 0 Ų | 0 | 87.3 Ų | 87.3 | 0% | 0 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.9 | -44.7 | -179.7 | -66.5 | -7.3 | 0 | 0 | 0 | 112.3 | N305 S306 I308 L309 A327 I328 T329 D333 M334 I335 | N305-N331 PolarHBondContact O-ND2 3.28Å; S306-N331 WeakPolarHBondContact CA-OD1 3.4Å; I308-N331 WeakPolarHBondContact O-CB 3.29Å; I308-N331 PolarHBondContact O-ND2 2.88Å; L309-N331 HydrophobicContact CD2-CB 3.8Å; A327-N331 VanDerWaalsContact O-CG 3.31Å; A327-N331 PolarHBondContact O-N 3.35Å; A327-N331 PolarHBondContact O-OD1 2.97Å; I328-N331 PolarHBondContact O-N 2.99Å; T329-N331 PolarHBondContact O-N 3.36Å; N331-D333 VanDerWaalsContact C-N 3.35Å; N331-D333 PolarHBondContact O-N 3.45Å; N331-M334 HydrophobicContact CB-CE 4.28Å; N331-M334 PolarHBondContact O-N 3.4Å; N331-M334 WeakPolarHBondContact OD1-CE 3.3Å; N331-I335 PolarHBondContact O-N 3.13Å |
| 332 | N | 96 | Very high | 93.7 | Very high | 71 Ų | 71 | 86 Ų | 86 | 38% | 0.38 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 175 | -80.1 | -70.1 | 0 | 0 | 0 | 112.5 | L309 I328 T329 I335 R336 | L309-N332 PolarHBondContact O-ND2 3.43Å; L309-N332 VanDerWaalsContact O-ND2 3.12Å; I328-N332 WeakPolarHBondContact CG2-ND2 3.41Å; I328-N332 PolarHBondContact O-N 3.26Å; I328-N332 PolarHBondContact O-ND2 2.91Å; T329-N332 PolarHBondContact O-N 3.23Å; N332-I335 PolarHBondContact O-N 3.5Å; N332-R336 PolarHBondContact O-N 3.49Å |
| 333 | D | 95.8 | Very high | 93.5 | Very high | 57 Ų | 57 | 87.9 Ų | 87.9 | 31% | 0.305 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -67.7 | -36.7 | 177.5 | -167.8 | 57.5 | 0 | 0 | 0 | 112.3 | T329 R330 N331 I335 R336 Q337 | T329-D333 WeakPolarHBondContact O-CB 3.31Å; T329-D333 PolarHBondContact O-N 3.04Å; R330-D333 PolarHBondContact O-N 2.99Å; N331-D333 VanDerWaalsContact C-N 3.35Å; N331-D333 PolarHBondContact O-N 3.45Å; D333-I335 VanDerWaalsContact C-N 3.33Å; D333-I335 PolarHBondContact O-N 3.04Å; D333-R336 WeakPolarHBondContact O-CB 3.39Å; D333-R336 PolarHBondContact O-N 3.31Å; D333-R336 IonicContact OD1-CZ 2.77Å; D333-R336 IonicContact OD1-NE 3.58Å; D333-R336 PolarHBondContact OD1-NE 3.28Å; D333-R336 IonicContact OD1-NH2 3.93Å; D333-R336 PolarHBondContact OD1-NH2 3.43Å; D333-R336 IonicContact OD2-NH2 2.77Å; D333-Q337 WeakPolarHBondContact O-CG 3.45Å; D333-Q337 PolarHBondContact O-N 3.19Å; D333-Q337 PolarHBondContact OD2-NE2 3.07Å |
| 334 | M | 93.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 88.6 Ų | 88.6 | 30% | 0.296 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -58.4 | -44.6 | 174 | -73.6 | -172 | -63.3 | 0 | 0 | 111.9 | R330 N331 Q337 Q338 | R330-M334 HydrophobicContact CG-CE 4.48Å; R330-M334 WeakPolarHBondContact O-CG 3.44Å; R330-M334 PolarHBondContact O-N 2.93Å; N331-M334 HydrophobicContact CB-CE 4.28Å; N331-M334 PolarHBondContact O-N 3.4Å; N331-M334 WeakPolarHBondContact OD1-CE 3.3Å; M334-Q337 PolarHBondContact O-N 3.01Å; M334-Q338 WeakPolarHBondContact O-CG 3.47Å; M334-Q338 PolarHBondContact O-N 3.28Å |
| 335 | I | 92.3 | Very high | 93 | Very high | 44 Ų | 44 | 93.5 Ų | 93.5 | 23% | 0.226 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -66.7 | -39.7 | 176.7 | -66.6 | -176.3 | 0 | 0 | 0 | 111.1 | L309 N331 N332 D333 Q337 Q338 R339 | L309-I335 HydrophobicContact CD1-CD1 3.3Å; L309-I335 HydrophobicContact CD2-CD1 3.49Å; L309-I335 VanDerWaalsContact CD2-CD1 3.49Å; L309-I335 HydrophobicContact CD2-CG1 4.33Å; L309-I335 HydrophobicContact CG-CD1 3.87Å; N331-I335 PolarHBondContact O-N 3.13Å; N332-I335 PolarHBondContact O-N 3.5Å; D333-I335 VanDerWaalsContact C-N 3.33Å; D333-I335 PolarHBondContact O-N 3.04Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 3.43Å; I335-Q338 PolarHBondContact O-N 3.45Å; I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 2.86Å |
| 336 | R | 94 | Very high | 92.8 | Very high | 125 Ų | 125 | 96 Ų | 96 | 47% | 0.472 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 173.9 | -172.8 | -168.1 | 66.7 | 82.8 | 3.6 | 111.3 | N332 D333 R339 L340 | N332-R336 PolarHBondContact O-N 3.49Å; D333-R336 WeakPolarHBondContact O-CB 3.39Å; D333-R336 PolarHBondContact O-N 3.31Å; D333-R336 IonicContact OD1-CZ 2.77Å; D333-R336 IonicContact OD1-NE 3.58Å; D333-R336 PolarHBondContact OD1-NE 3.28Å; D333-R336 IonicContact OD1-NH2 3.93Å; D333-R336 PolarHBondContact OD1-NH2 3.43Å; D333-R336 IonicContact OD2-NH2 2.77Å; R336-R339 PolarHBondContact O-N 3.14Å; R336-L340 VanDerWaalsContact NH1-CD1 3.34Å; R336-L340 WeakPolarHBondContact O-CG 3.42Å; R336-L340 PolarHBondContact O-N 3.25Å |
| 337 | Q | 93.3 | Very high | 92.5 | Very high | 84 Ų | 84 | 93.1 Ų | 93.1 | 39% | 0.393 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 177.1 | -69.2 | 179.4 | 23 | 0 | 0 | 112.3 | D333 M334 I335 R339 L340 R341 | D333-Q337 WeakPolarHBondContact O-CG 3.45Å; D333-Q337 PolarHBondContact O-N 3.19Å; D333-Q337 PolarHBondContact OD2-NE2 3.07Å; M334-Q337 PolarHBondContact O-N 3.01Å; I335-Q337 VanDerWaalsContact C-N 3.31Å; I335-Q337 PolarHBondContact O-N 3.43Å; Q337-R339 VanDerWaalsContact C-N 3.33Å; Q337-R339 PolarHBondContact O-N 3.46Å; Q337-L340 PolarHBondContact O-N 3.37Å; Q337-R341 PolarHBondContact O-N 2.86Å |
| 338 | Q | 90.9 | Very high | 92.2 | Very high | 134 Ų | 134 | 99.4 Ų | 99.4 | 63% | 0.626 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -62.9 | -37.8 | 174.8 | -73.7 | 172.3 | -4 | 0 | 0 | 112.2 | M334 I335 L340 R341 | M334-Q338 WeakPolarHBondContact O-CG 3.47Å; M334-Q338 PolarHBondContact O-N 3.28Å; I335-Q338 PolarHBondContact O-N 3.45Å; Q338-L340 PolarHBondContact O-N 2.93Å; Q338-R341 PolarHBondContact O-N 2.94Å |
| 339 | R | 90.2 | Very high | 91.8 | Very high | 202 Ų | 202 | 104.8 Ų | 104.8 | 76% | 0.762 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -68.6 | -20 | 176.7 | -68.3 | 172.3 | -173.7 | 178.3 | 3.2 | 114.1 | I335 R336 Q337 | I335-R339 WeakPolarHBondContact O-CG 3.47Å; I335-R339 PolarHBondContact O-N 2.86Å; R336-R339 PolarHBondContact O-N 3.14Å; Q337-R339 VanDerWaalsContact C-N 3.33Å; Q337-R339 PolarHBondContact O-N 3.46Å |
| 340 | L | 87.1 | Confident | 91.4 | Very high | 127 Ų | 127 | 105.6 Ų | 105.6 | 67% | 0.665 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10 | -179.5 | -71.2 | 171.6 | 0 | 0 | 0 | 113.4 | R336 Q337 Q338 | R336-L340 VanDerWaalsContact NH1-CD1 3.34Å; R336-L340 WeakPolarHBondContact O-CG 3.42Å; R336-L340 PolarHBondContact O-N 3.25Å; Q337-L340 PolarHBondContact O-N 3.37Å; Q338-L340 PolarHBondContact O-N 2.93Å |
| 341 | R | 71.6 | Confident | 90.9 | Very high | 265 Ų | 265 | 106.3 Ų | 106.3 | 100% | 1 | 47% | 0.466 | S | S | * | . | trans | -91.1 | 0 | 176.2 | -71 | -178.2 | -179.2 | -173.6 | 2.2 | 110.7 | Q337 Q338 | Q337-R341 PolarHBondContact O-N 2.86Å; Q338-R341 PolarHBondContact O-N 2.94Å |
Retrieved 341 of 341 residues in 217.4 ms
(Link to these results)