| 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 | S | 37.1 | Very low | 41.1 | Very low | 179 Ų | 179 | 115.6 Ų | 115.6 | 100% | 1.252 | 79% | 0.786 | S | S | * | * | 0 | 91.8 | 0 | 28.4 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 2 | G | 36.2 | Very low | 42.1 | Very low | 80 Ų | 80 | 113.1 Ų | 113.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -128 | 104.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 3 | T | 39.4 | Very low | 43.5 | Very low | 146 Ų | 146 | 110 Ų | 110 | 90% | 0.896 | 74% | 0.741 | S | S | * | * | trans | -116.9 | 98.3 | 174.5 | -33.6 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 4 | G | 34.6 | Very low | 45.5 | Very low | 60 Ų | 60 | 108.9 Ų | 108.9 | 62% | 0.619 | 72% | 0.72 | S | S | * | * | trans | -84.2 | 150.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | H6 | G4-H6 PolarHBondContact O-N 2.88Š| ||
| 5 | P | 43.5 | Very low | 47.7 | Very low | 132 Ų | 132 | 103.2 Ų | 103.2 | 86% | 0.857 | 68% | 0.679 | S | S | * | * | trans | -76.1 | 116.4 | 176 | 30.2 | -29 | 0 | 0 | 0 | 109.3 | A7 | P5-A7 PolarHBondContact O-N 3.42Å; P5-A7 VanDerWaalsContact O-N 3.09Å | ||
| 6 | H | 37.1 | Very low | 50.2 | Low | 187 Ų | 187 | 99.6 Ų | 99.6 | 87% | 0.866 | 65% | 0.65 | S | S | * | * | trans | -69.2 | 100.2 | 167.4 | -122.3 | -88.4 | 0 | 0 | 0 | 107.3 | G4 | G4-H6 PolarHBondContact O-N 2.88Š| ||
| 7 | A | 44.8 | Very low | 52.5 | Low | 92 Ų | 92 | 93.7 Ų | 93.7 | 76% | 0.76 | 61% | 0.612 | S | S | * | * | trans | -70.6 | 130 | 174 | 0 | 0 | 0 | 0 | 0 | 109.7 | P5 G9 | P5-A7 PolarHBondContact O-N 3.42Å; P5-A7 VanDerWaalsContact O-N 3.09Å; A7-G9 PolarHBondContact O-N 3.23Å; A7-G9 VanDerWaalsContact O-N 3.15Å | ||
| 8 | D | 42.4 | Very low | 54.5 | Low | 155 Ų | 155 | 92.2 Ų | 92.2 | 83% | 0.829 | 59% | 0.594 | S | S | * | * | trans | -60.3 | 104.5 | -173.5 | -58.3 | -71.2 | 0 | 0 | 0 | 113.2 | H10 | D8-H10 VanDerWaalsContact C-N 3.29Š| ||
| 9 | G | 43.3 | Very low | 56.3 | Low | 64 Ų | 64 | 90.9 Ų | 90.9 | 66% | 0.66 | 58% | 0.581 | S | S | * | * | trans | -85.4 | 4.4 | 165.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A7 | A7-G9 PolarHBondContact O-N 3.23Å; A7-G9 VanDerWaalsContact O-N 3.15Å | ||
| 10 | H | 46.2 | Very low | 57.8 | Low | 130 Ų | 130 | 88.8 Ų | 88.8 | 60% | 0.602 | 57% | 0.568 | S | S | * | * | trans | -91.8 | -8 | -167 | -156.5 | 29.1 | 0 | 0 | 0 | 114.7 | D8 | D8-H10 VanDerWaalsContact C-N 3.29Š| ||
| 11 | G | 47.6 | Very low | 59.2 | Low | 47 Ų | 47 | 92.4 Ų | 92.4 | 49% | 0.485 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.7 | -27.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 12 | S | 53.1 | Low | 61.5 | Low | 85 Ų | 85 | 86.1 Ų | 86.1 | 59% | 0.594 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.4 | -34.9 | -178.7 | 54.4 | 0 | 0 | 0 | 0 | 112.6 | E14 M15 | S12-E14 VanDerWaalsContact C-N 3.25Å; S12-E14 PolarHBondContact O-N 3.42Å; S12-M15 PolarHBondContact O-N 3.04Å |
| 13 | D | 60.3 | Low | 63.8 | Low | 73 Ų | 73 | 85.6 Ų | 85.6 | 39% | 0.39 | 52% | 0.516 | S | S | . | . | G | 310 helix | trans | -63.2 | -31 | -175.6 | -160.7 | 64.7 | 0 | 0 | 0 | 112.3 | E16 K18 | D13-E16 WeakPolarHBondContact O-CG 3.09Å; D13-K18 WeakPolarHBondContact O-CE 3.44Å; D13-K18 PolarHBondContact O-NZ 3.49Å; D13-K18 IonicContact OD1-NZ 2.59Å; D13-K18 PolarHBondContact OD1-NZ 3.46Å; D13-K18 WeakPolarHBondContact OD2-CE 3.5Å; D13-K18 IonicContact OD2-NZ 2.97Å; D13-K18 PolarHBondContact OD2-NZ 2.76Å |
| 14 | E | 70.9 | Confident | 66 | Low | 95 Ų | 95 | 79.2 Ų | 79.2 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -74.3 | -24 | 175.8 | -65.8 | -169.8 | 157.9 | 0 | 0 | 114 | S12 L84 R87 | S12-E14 VanDerWaalsContact C-N 3.25Å; S12-E14 PolarHBondContact O-N 3.42Å; E14-L84 WeakPolarHBondContact O-CD1 3.3Å; E14-R87 IonicContact OE2-CZ 3.82Å; E14-R87 IonicContact OE2-NH1 3.08Å; E14-R87 PolarHBondContact OE2-NH1 3.47Å; E14-R87 IonicContact OE2-NH2 3.59Å |
| 15 | M | 78.6 | Confident | 68.2 | Low | 23 Ų | 23 | 78.9 Ų | 78.9 | 11% | 0.113 | 46% | 0.46 | C | S | . | . | G | 310 helix | trans | -96.3 | 14.5 | -173.1 | -75.1 | -165.4 | 169.3 | 0 | 0 | 113.4 | S12 A23 Y24 R87 Q91 | S12-M15 PolarHBondContact O-N 3.04Å; M15-A23 WeakPolarHBondContact O-CA 3.12Å; M15-Y24 VanDerWaalsContact O-CD2 3.22Å; M15-Y24 WeakPolarHBondContact O-CD2 3.38Å; M15-Y24 PolarHBondContact O-N 2.96Å; M15-R87 HydrophobicContact CE-CB 3.82Å; M15-R87 VanDerWaalsContact CE-CZ 3.49Å; M15-Q91 PolarHBondContact SD-NE2 2.94Å; M15-Q91 PolarHBondContact SD-OE1 3.4Å |
| 16 | E | 88.4 | Confident | 70 | Confident | 45 Ų | 45 | 76.1 Ų | 76.1 | 21% | 0.21 | 44% | 0.437 | C | S | . | . | B | Isolated β-bridge | trans | -128.8 | 152.9 | 179.6 | 56.2 | 167.9 | -137.7 | 0 | 0 | 112.5 | D13 K18 S22 Y24 | D13-E16 WeakPolarHBondContact O-CG 3.09Å; E16-K18 IonicContact OE1-NZ 2.78Å; E16-K18 PolarHBondContact OE1-NZ 2.93Å; E16-S22 WeakPolarHBondContact CA-O 3.44Å; E16-Y24 VanDerWaalsContact O-CE2 3.25Å; E16-Y24 WeakPolarHBondContact O-CE2 2.99Å |
| 17 | C | 88.4 | Confident | 71.9 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 44% | 0.435 | C | S | . | . | trans | -78.1 | 123.2 | 176.1 | -178.6 | 0 | 0 | 0 | 0 | 110.9 | I19 C20 Y21 S22 Y24 C41 | C17-I19 PolarHBondContact O-N 3.41Å; C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact O-N 2.74Å; C17-Y21 WeakPolarHBondContact O-CA 3.48Å; C17-Y21 PolarHBondContact O-N 3.29Å; C17-S22 PolarHBondContact N-O 3.07Å; C17-Y24 HydrophobicContact CB-CD1 4.44Å; C17-Y24 HydrophobicContact CB-CE1 3.74Å; C17-C41 HydrophobicContact CB-CB 3.97Å; C17-C41 PolarHBondContact SG-N 3.44Å; C17-C41 VanDerWaalsContact SG-N 3.41Å; C17-C41 VanDerWaalsContact SG-SG 3.61Å | ||
| 18 | K | 88.8 | Confident | 73.2 | Confident | 66 Ų | 66 | 72.5 Ų | 72.5 | 29% | 0.287 | 41% | 0.408 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | 8.7 | 179.7 | -59.5 | -63.5 | 167 | -155.9 | 0 | 116.4 | D13 E16 F63 | D13-K18 WeakPolarHBondContact O-CE 3.44Å; D13-K18 PolarHBondContact O-NZ 3.49Å; D13-K18 IonicContact OD1-NZ 2.59Å; D13-K18 PolarHBondContact OD1-NZ 3.46Å; D13-K18 WeakPolarHBondContact OD2-CE 3.5Å; D13-K18 IonicContact OD2-NZ 2.97Å; D13-K18 PolarHBondContact OD2-NZ 2.76Å; E16-K18 IonicContact OE1-NZ 2.78Å; E16-K18 PolarHBondContact OE1-NZ 2.93Å; K18-F63 HydrophobicContact CB-CE1 4.26Å; K18-F63 HydrophobicContact CB-CZ 3.94Å |
| 19 | I | 88.7 | Confident | 75 | Confident | 68 Ų | 68 | 65.4 Ų | 65.4 | 35% | 0.349 | 37% | 0.371 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.6 | -49 | 176.5 | -59.3 | -175.9 | 0 | 0 | 0 | 110.7 | C17 L40 C44 I48 P62 F63 | C17-I19 PolarHBondContact O-N 3.41Å; I19-L40 HydrophobicContact CD1-CD2 3.27Å; I19-L40 HydrophobicContact CD1-CG 3.71Å; I19-C44 HydrophobicContact CB-CB 4.25Å; I19-C44 HydrophobicContact CD1-CB 4.32Å; I19-C44 HydrophobicContact CG2-CB 4.21Å; I19-I48 HydrophobicContact CD1-CD1 3.95Å; I19-P62 HydrophobicContact CD1-CG 3.67Å; I19-F63 HydrophobicContact CD1-CE2 4.43Å; I19-F63 HydrophobicContact CD1-CZ 4.33Å; I19-F63 HydrophobicContact CG1-CZ 3.98Å |
| 20 | C | 86.1 | Confident | 77 | Confident | 48 Ų | 48 | 66.7 Ų | 66.7 | 32% | 0.324 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.9 | -2.5 | 178.8 | 66.9 | 0 | 0 | 0 | 0 | 113.7 | C17 S22 C41 | C17-C20 VanDerWaalsContact CB-SG 3.59Å; C17-C20 PolarHBondContact O-N 2.74Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-S22 PolarHBondContact O-OG 3.22Å; C20-S22 VanDerWaalsContact O-OG 3.07Å; C20-S22 PolarHBondContact SG-OG 3.01Å; C20-C41 VanDerWaalsContact SG-SG 3.67Å |
| 21 | Y | 87.9 | Confident | 78.9 | Confident | 165 Ų | 165 | 60.5 Ų | 60.5 | 65% | 0.647 | 33% | 0.327 | S | S | * | . | trans | 49.4 | 29.5 | -176.9 | -59.2 | -84.3 | 0 | 0 | 0 | 113.3 | C17 | C17-Y21 WeakPolarHBondContact O-CA 3.48Å; C17-Y21 PolarHBondContact O-N 3.29Å | ||
| 22 | S | 85.1 | Confident | 80.9 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 34% | 0.336 | 31% | 0.306 | S | S | . | . | P | Polyproline II helix | trans | -101.6 | 140.2 | 178.7 | -41.9 | 0 | 0 | 0 | 0 | 109.5 | E16 C17 C20 Y24 | E16-S22 WeakPolarHBondContact CA-O 3.44Å; C17-S22 PolarHBondContact N-O 3.07Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-S22 PolarHBondContact O-OG 3.22Å; C20-S22 VanDerWaalsContact O-OG 3.07Å; C20-S22 PolarHBondContact SG-OG 3.01Å; S22-Y24 PolarHBondContact O-N 3.24Å |
| 23 | A | 84.6 | Confident | 82.5 | Confident | 69 Ų | 69 | 56.1 Ų | 56.1 | 57% | 0.57 | 29% | 0.286 | S | S | * | . | B | Isolated β-bridge | trans | -56.5 | 137 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | M15 C29 | M15-A23 WeakPolarHBondContact O-CA 3.12Å; A23-C29 WeakPolarHBondContact O-CB 3.36Å |
| 24 | Y | 84.8 | Confident | 83.8 | Confident | 12 Ų | 12 | 52.9 Ų | 52.9 | 5% | 0.047 | 27% | 0.269 | C | S | . | . | P | Polyproline II helix | trans | -66.2 | 142.4 | 175.1 | -68 | -61.8 | 0 | 0 | 0 | 110.1 | M15 E16 C17 S22 C29 P31 R39 C41 L84 L88 | M15-Y24 VanDerWaalsContact O-CD2 3.22Å; M15-Y24 WeakPolarHBondContact O-CD2 3.38Å; M15-Y24 PolarHBondContact O-N 2.96Å; E16-Y24 VanDerWaalsContact O-CE2 3.25Å; E16-Y24 WeakPolarHBondContact O-CE2 2.99Å; C17-Y24 HydrophobicContact CB-CD1 4.44Å; C17-Y24 HydrophobicContact CB-CE1 3.74Å; S22-Y24 PolarHBondContact O-N 3.24Å; Y24-C29 VanDerWaalsContact CA-O 3.29Å; Y24-C29 WeakPolarHBondContact CA-O 3.35Å; Y24-C29 VanDerWaalsContact CD1-O 3.31Å; Y24-C29 WeakPolarHBondContact CD1-O 3.37Å; Y24-P31 HydrophobicContact CD1-CB 3.75Å; Y24-P31 HydrophobicContact CD1-CG 4.43Å; Y24-P31 HydrophobicContact CD2-CB 4.36Å; Y24-P31 HydrophobicContact CE1-CB 3.8Å; Y24-P31 HydrophobicContact CE2-CB 4.42Å; Y24-P31 HydrophobicContact CG-CB 4.04Å; Y24-P31 HydrophobicContact CG-CG 4.43Å; Y24-R39 PolarHBondContact OH-O 3.46Å; Y24-C41 HydrophobicContact CD1-CB 4.13Å; Y24-C41 HydrophobicContact CE1-CB 3.91Å; Y24-L84 HydrophobicContact CD2-CD1 4.25Å; Y24-L84 HydrophobicContact CD2-CD2 3.39Å; Y24-L84 HydrophobicContact CD2-CG 4.48Å; Y24-L84 HydrophobicContact CE2-CD1 4.41Å; Y24-L84 HydrophobicContact CE2-CD2 4.18Å; Y24-L84 HydrophobicContact CG-CD2 3.75Å; Y24-L88 WeakPolarHBondContact O-CD2 3.45Å |
| 25 | N | 81.9 | Confident | 84.5 | Confident | 53 Ų | 53 | 55.2 Ų | 55.2 | 28% | 0.283 | 28% | 0.277 | S | S | . | . | trans | -145.1 | 163.4 | 176.4 | 62.9 | 57.9 | 0 | 0 | 0 | 110 | E27 S28 C29 R30 | N25-E27 VanDerWaalsContact C-N 3.27Å; N25-E27 PolarHBondContact O-N 3.37Å; N25-E27 PolarHBondContact OD1-N 2.93Å; N25-S28 PolarHBondContact OD1-N 3.4Å; N25-C29 PolarHBondContact N-O 2.76Å; N25-C29 WeakPolarHBondContact ND2-CB 3.45Å; N25-C29 CarbonylContact O-C 3.19Å; N25-C29 VanDerWaalsContact O-O 3.14Å; N25-C29 PolarHBondContact OD1-N 3.07Å; N25-R30 WeakPolarHBondContact O-CA 3.34Å; N25-R30 PolarHBondContact O-N 2.93Å | ||
| 26 | L | 80.8 | Confident | 84.8 | Confident | 73 Ų | 73 | 55.7 Ų | 55.7 | 38% | 0.382 | 28% | 0.283 | S | S | . | . | S | Bend | trans | -74.7 | -17.3 | -174.4 | -64.6 | 174.7 | 0 | 0 | 0 | 113.7 | V85 L88 A89 | L26-V85 HydrophobicContact CD2-CB 4.32Å; L26-V85 HydrophobicContact CD2-CG1 3.67Å; L26-V85 HydrophobicContact CD2-CG2 4.4Å; L26-L88 HydrophobicContact CD2-CB 4.33Å; L26-L88 HydrophobicContact CG-CB 4.45Å; L26-A89 HydrophobicContact CD1-CB 4.32Å |
| 27 | E | 76.9 | Confident | 84.7 | Confident | 176 Ų | 176 | 63.5 Ų | 63.5 | 82% | 0.822 | 31% | 0.31 | S | S | * | . | S | Bend | trans | -95.2 | -59.3 | -170.3 | -63.6 | 177.8 | 172.1 | 0 | 0 | 112 | N25 | N25-E27 VanDerWaalsContact C-N 3.27Å; N25-E27 PolarHBondContact O-N 3.37Å; N25-E27 PolarHBondContact OD1-N 2.93Å |
| 28 | S | 71.8 | Confident | 84.7 | Confident | 27 Ų | 27 | 66.7 Ų | 66.7 | 19% | 0.189 | 33% | 0.325 | C | S | . | . | S | Bend | trans | -126.7 | -25.9 | -163 | 80 | 0 | 0 | 0 | 0 | 113.5 | N25 S42 K43 | N25-S28 PolarHBondContact OD1-N 3.4Å; S28-S42 PolarHBondContact O-OG 3.44Å; S28-K43 WeakPolarHBondContact O-CD 3.45Å; S28-K43 VanDerWaalsContact O-CE 3.24Å; S28-K43 WeakPolarHBondContact O-CE 3.37Å; S28-K43 VanDerWaalsContact O-CG 3.27Å; S28-K43 WeakPolarHBondContact O-CG 3.14Å; S28-K43 WeakPolarHBondContact OG-CE 3.49Å; S28-K43 PolarHBondContact OG-NZ 2.89Å |
| 29 | C | 81.1 | Confident | 84.7 | Confident | 7 Ų | 7 | 69.4 Ų | 69.4 | 5% | 0.047 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -111.4 | 51.5 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 109.9 | A23 Y24 N25 C41 | A23-C29 WeakPolarHBondContact O-CB 3.36Å; Y24-C29 VanDerWaalsContact CA-O 3.29Å; Y24-C29 WeakPolarHBondContact CA-O 3.35Å; Y24-C29 VanDerWaalsContact CD1-O 3.31Å; Y24-C29 WeakPolarHBondContact CD1-O 3.37Å; N25-C29 PolarHBondContact N-O 2.76Å; N25-C29 WeakPolarHBondContact ND2-CB 3.45Å; N25-C29 CarbonylContact O-C 3.19Å; N25-C29 VanDerWaalsContact O-O 3.14Å; N25-C29 PolarHBondContact OD1-N 3.07Å; C29-C41 HydrophobicContact CB-CB 4.22Å |
| 30 | R | 84.4 | Confident | 84.7 | Confident | 91 Ų | 91 | 66.2 Ų | 66.2 | 34% | 0.343 | 32% | 0.317 | S | S | . | . | trans | -75.3 | 129 | -177 | -160.9 | 172.3 | -177.9 | -151.2 | -8.2 | 110.4 | N25 K32 C41 S42 D80 V85 | N25-R30 WeakPolarHBondContact O-CA 3.34Å; N25-R30 PolarHBondContact O-N 2.93Å; R30-K32 PolarHBondContact O-N 3.32Å; R30-C41 CarbonylContact O-C 3.57Å; R30-C41 WeakPolarHBondContact O-CA 3.43Å; R30-S42 PolarHBondContact O-N 3.31Å; R30-D80 WeakPolarHBondContact CD-OD1 3.31Å; R30-D80 IonicContact CZ-OD1 3.56Å; R30-D80 IonicContact CZ-OD2 2.87Å; R30-D80 IonicContact NE-OD1 3.42Å; R30-D80 PolarHBondContact NE-OD1 3.24Å; R30-D80 IonicContact NE-OD2 3.52Å; R30-D80 IonicContact NH1-OD1 3.8Å; R30-D80 IonicContact NH1-OD2 2.98Å; R30-D80 PolarHBondContact NH1-OD2 3.34Å; R30-D80 IonicContact NH2-OD2 2.9Å; R30-D80 PolarHBondContact NH2-OD2 3.31Å; R30-V85 HydrophobicContact CG-CG2 4.47Å | ||
| 31 | P | 87.2 | Confident | 84.8 | Confident | 0 Ų | 0 | 63.9 Ų | 63.9 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 118.1 | -177.3 | 30.9 | -37.3 | 0 | 0 | 0 | 110.7 | Y24 D80 D81 L84 V85 | Y24-P31 HydrophobicContact CD1-CB 3.75Å; Y24-P31 HydrophobicContact CD1-CG 4.43Å; Y24-P31 HydrophobicContact CD2-CB 4.36Å; Y24-P31 HydrophobicContact CE1-CB 3.8Å; Y24-P31 HydrophobicContact CE2-CB 4.42Å; Y24-P31 HydrophobicContact CG-CB 4.04Å; Y24-P31 HydrophobicContact CG-CG 4.43Å; P31-D80 WeakPolarHBondContact O-CA 3.27Å; P31-D81 HydrophobicContact CB-CB 4.38Å; P31-D81 HydrophobicContact CG-CB 4.42Å; P31-D81 PolarHBondContact O-N 3Å; P31-L84 HydrophobicContact CB-CD2 3.96Å; P31-L84 HydrophobicContact CG-CB 4.22Å; P31-L84 HydrophobicContact CG-CD2 3.6Å; P31-V85 HydrophobicContact CG-CG2 4Å |
| 32 | K | 88.5 | Confident | 84.8 | Confident | 10 Ų | 10 | 57.2 Ų | 57.2 | 4% | 0.043 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 142.1 | 176.4 | -69.2 | -66.7 | -171.5 | -172.1 | 0 | 110 | R30 R39 L40 L45 R76 L78 D80 | R30-K32 PolarHBondContact O-N 3.32Å; K32-R39 WeakPolarHBondContact O-CA 3.34Å; K32-L40 PolarHBondContact N-O 3.13Å; K32-L40 PolarHBondContact O-N 2.95Å; K32-L45 HydrophobicContact CB-CD1 3.29Å; K32-L45 HydrophobicContact CG-CD1 3.86Å; K32-R76 PolarHBondContact NZ-O 2.8Å; K32-R76 VanDerWaalsContact NZ-O 3.13Å; K32-L78 HydrophobicContact CB-CB 4.4Å; K32-L78 HydrophobicContact CD-CB 4.06Å; K32-L78 VanDerWaalsContact CD-O 3.3Å; K32-L78 WeakPolarHBondContact CD-O 3.27Å; K32-L78 WeakPolarHBondContact CE-O 3.46Å; K32-L78 PolarHBondContact NZ-O 3.44Å; K32-D80 WeakPolarHBondContact CD-OD1 3.41Å; K32-D80 WeakPolarHBondContact CE-OD1 3.33Å; K32-D80 VanDerWaalsContact NZ-CG 3.28Å; K32-D80 IonicContact NZ-OD1 2.73Å; K32-D80 PolarHBondContact NZ-OD1 2.89Å; K32-D80 IonicContact NZ-OD2 3.31Å; K32-D80 PolarHBondContact NZ-OD2 3.29Å |
| 33 | V | 88.3 | Confident | 84.9 | Confident | 29 Ų | 29 | 58 Ų | 58 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 125.3 | -178.1 | -172.6 | 0 | 0 | 0 | 0 | 109.8 | R39 P79 D81 | V33-R39 HydrophobicContact CG2-CG 4.36Å; V33-P79 PolarHBondContact N-O 2.8Å; V33-D81 HydrophobicContact CG2-CB 3.61Å |
| 34 | L | 87.4 | Confident | 85.1 | Confident | 6 Ų | 6 | 55.1 Ų | 55.1 | 3% | 0.031 | 25% | 0.252 | C | S | . | . | trans | -79.8 | 170 | 174 | -74 | 78.8 | 0 | 0 | 0 | 111.3 | C36 R37 H38 L40 L45 L59 C61 L78 | L34-C36 PolarHBondContact O-N 3.08Å; L34-R37 WeakPolarHBondContact O-CA 3.3Å; L34-R37 PolarHBondContact O-N 3.49Å; L34-H38 WeakPolarHBondContact CD1-O 3.24Å; L34-H38 PolarHBondContact N-O 3.4Å; L34-L40 HydrophobicContact CD1-CD1 3.66Å; L34-L45 HydrophobicContact CD1-CD2 3.92Å; L34-L59 HydrophobicContact CD2-CD2 3.43Å; L34-L59 VanDerWaalsContact CD2-CD2 3.43Å; L34-L59 HydrophobicContact CG-CD2 4.21Å; L34-C61 HydrophobicContact CD2-CB 3.56Å; L34-L78 HydrophobicContact CG-CD2 4.26Å | ||
| 35 | K | 83.9 | Confident | 85.2 | Confident | 143 Ų | 143 | 54.5 Ų | 54.5 | 62% | 0.622 | 25% | 0.249 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -32.6 | 173.7 | -76.1 | -179.3 | -171.5 | -175.6 | 0 | 113 | R37 T68 R69 | K35-R37 PolarHBondContact O-N 3.29Å; K35-T68 HydrophobicContact CB-CG2 4.39Å; K35-T68 HydrophobicContact CD-CG2 4.29Å; K35-T68 HydrophobicContact CG-CG2 3.9Å; K35-T68 PolarHBondContact N-OG1 3.19Å; K35-R69 VanDerWaalsContact CE-O 3.3Å; K35-R69 WeakPolarHBondContact CE-O 3.43Å; K35-R69 PolarHBondContact NZ-O 3.25Å |
| 36 | C | 86.1 | Confident | 85.3 | Confident | 33 Ų | 33 | 54.1 Ų | 54.1 | 22% | 0.223 | 25% | 0.25 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | 6 | 175.9 | 57.6 | 0 | 0 | 0 | 0 | 114.1 | L34 H38 C64 C66 | L34-C36 PolarHBondContact O-N 3.08Å; C36-H38 PolarHBondContact O-N 2.98Å; C36-H38 PolarHBondContact SG-ND1 3.33Å; C36-H38 VanDerWaalsContact SG-ND1 3.37Å; C36-C64 WeakPolarHBondContact CB-SG 3.19Å; C36-C64 PolarHBondContact SG-SG 3.17Å; C36-C66 HydrophobicContact CB-CB 3.83Å |
| 37 | R | 85.8 | Confident | 85.5 | Confident | 209 Ų | 209 | 56.5 Ų | 56.5 | 79% | 0.789 | 26% | 0.257 | S | S | * | . | trans | 64.3 | 6.2 | -176.5 | -53.5 | -164.1 | 179.5 | 101.1 | -1.9 | 116.2 | L34 K35 | L34-R37 WeakPolarHBondContact O-CA 3.3Å; L34-R37 PolarHBondContact O-N 3.49Å; K35-R37 PolarHBondContact O-N 3.29Å | ||
| 38 | H | 88.9 | Confident | 85.8 | Confident | 67 Ų | 67 | 50.4 Ų | 50.4 | 31% | 0.31 | 23% | 0.23 | S | C | . | . | trans | -69 | 146.4 | 167.7 | -70.4 | 109.6 | 0 | 0 | 0 | 111.2 | L34 C36 L40 C61 F63 C64 | L34-H38 WeakPolarHBondContact CD1-O 3.24Å; L34-H38 PolarHBondContact N-O 3.4Å; C36-H38 PolarHBondContact O-N 2.98Å; C36-H38 PolarHBondContact SG-ND1 3.33Å; C36-H38 VanDerWaalsContact SG-ND1 3.37Å; H38-L40 HydrophobicContact CB-CD1 4.26Å; H38-C61 PolarHBondContact ND1-SG 3.22Å; H38-F63 HydrophobicContact CB-CD2 3.92Å; H38-F63 AromaticContact CG-CD2 3.95Å; H38-C64 VanDerWaalsContact CE1-SG 3.52Å; H38-C64 PolarHBondContact ND1-SG 3.48Å | ||
| 39 | R | 88.1 | Confident | 86.2 | Confident | 124 Ų | 124 | 50.2 Ų | 50.2 | 47% | 0.468 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 125.1 | -174.6 | -62.8 | 169.6 | 176.6 | 121.9 | -4.3 | 110.4 | Y24 K32 V33 D81 | Y24-R39 PolarHBondContact OH-O 3.46Å; K32-R39 WeakPolarHBondContact O-CA 3.34Å; V33-R39 HydrophobicContact CG2-CG 4.36Å; R39-D81 IonicContact CZ-OD2 3.31Å; R39-D81 VanDerWaalsContact CZ-OD2 3.31Å; R39-D81 IonicContact NE-OD2 3.04Å; R39-D81 PolarHBondContact NE-OD2 3.24Å; R39-D81 IonicContact NH2-OD2 2.68Å; R39-D81 PolarHBondContact NH2-OD2 3.42Å; R39-D81 VanDerWaalsContact NH2-OD2 3.08Å |
| 40 | L | 88.9 | Confident | 86.1 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 151.9 | 175.3 | -73.1 | 73.1 | 0 | 0 | 0 | 108.7 | I19 K32 L34 H38 L45 I48 P62 F63 | I19-L40 HydrophobicContact CD1-CD2 3.27Å; I19-L40 HydrophobicContact CD1-CG 3.71Å; K32-L40 PolarHBondContact N-O 3.13Å; K32-L40 PolarHBondContact O-N 2.95Å; L34-L40 HydrophobicContact CD1-CD1 3.66Å; H38-L40 HydrophobicContact CB-CD1 4.26Å; L40-L45 HydrophobicContact CB-CD1 4.24Å; L40-L45 HydrophobicContact CB-CD2 3.82Å; L40-L45 HydrophobicContact CB-CG 3.77Å; L40-L45 HydrophobicContact CD2-CD2 3.59Å; L40-L45 HydrophobicContact CD2-CG 4.27Å; L40-L45 HydrophobicContact CG-CD2 4.26Å; L40-I48 HydrophobicContact CD2-CD1 3.67Å; L40-P62 HydrophobicContact CD2-CG 3.77Å; L40-F63 HydrophobicContact CD1-CD2 3.88Å; L40-F63 HydrophobicContact CD1-CE2 3.45Å; L40-F63 VanDerWaalsContact CD1-CE2 3.45Å; L40-F63 HydrophobicContact CD2-CE2 4.49Å; L40-F63 HydrophobicContact CG-CE2 3.92Å |
| 41 | C | 88.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 26% | 0.263 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 152.4 | 172.7 | 73.5 | 0 | 0 | 0 | 0 | 110.9 | C17 C20 Y24 C29 R30 K43 C44 L45 | C17-C41 HydrophobicContact CB-CB 3.97Å; C17-C41 PolarHBondContact SG-N 3.44Å; C17-C41 VanDerWaalsContact SG-N 3.41Å; C17-C41 VanDerWaalsContact SG-SG 3.61Å; C20-C41 VanDerWaalsContact SG-SG 3.67Å; Y24-C41 HydrophobicContact CD1-CB 4.13Å; Y24-C41 HydrophobicContact CE1-CB 3.91Å; C29-C41 HydrophobicContact CB-CB 4.22Å; R30-C41 CarbonylContact O-C 3.57Å; R30-C41 WeakPolarHBondContact O-CA 3.43Å; C41-K43 VanDerWaalsContact C-N 3.28Å; C41-K43 PolarHBondContact O-N 3.29Å; C41-C44 PolarHBondContact O-N 2.84Å; C41-C44 VanDerWaalsContact O-N 3.13Å; C41-C44 PolarHBondContact SG-N 2.96Å; C41-C44 VanDerWaalsContact SG-N 3.42Å; C41-C44 PolarHBondContact SG-SG 2.84Å; C41-L45 PolarHBondContact O-N 3.26Å; C41-L45 VanDerWaalsContact O-N 3.08Å |
| 42 | S | 87.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 57.3 Ų | 57.3 | 18% | 0.175 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -51.4 | -42.9 | 177.4 | 52 | 0 | 0 | 0 | 0 | 113.1 | S28 R30 C44 L45 C46 | S28-S42 PolarHBondContact O-OG 3.44Å; R30-S42 PolarHBondContact O-N 3.31Å; S42-C44 PolarHBondContact O-N 3.49Å; S42-L45 PolarHBondContact O-N 3.49Å; S42-C46 PolarHBondContact O-N 2.95Å; S42-C46 PolarHBondContact O-SG 2.88Å |
| 43 | K | 87.4 | Confident | 83.5 | Confident | 63 Ų | 63 | 66.9 Ų | 66.9 | 27% | 0.274 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -58 | -47.5 | 176.5 | -76.6 | 173.8 | -173.3 | -177 | 0 | 113.1 | S28 C41 L45 C46 K47 Y245 | S28-K43 WeakPolarHBondContact O-CD 3.45Å; S28-K43 VanDerWaalsContact O-CE 3.24Å; S28-K43 WeakPolarHBondContact O-CE 3.37Å; S28-K43 VanDerWaalsContact O-CG 3.27Å; S28-K43 WeakPolarHBondContact O-CG 3.14Å; S28-K43 WeakPolarHBondContact OG-CE 3.49Å; S28-K43 PolarHBondContact OG-NZ 2.89Å; C41-K43 VanDerWaalsContact C-N 3.28Å; C41-K43 PolarHBondContact O-N 3.29Å; K43-L45 VanDerWaalsContact C-N 3.32Å; K43-C46 PolarHBondContact O-N 3.33Å; K43-K47 WeakPolarHBondContact O-CG 3.22Å; K43-K47 PolarHBondContact O-N 3.41Å; K43-K47 VanDerWaalsContact O-N 3.11Å; K43-Y245 PolarHBondContact NZ-OH 3.38Å |
| 44 | C | 87.6 | Confident | 82.4 | Confident | 9 Ų | 9 | 67.3 Ų | 67.3 | 6% | 0.061 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.8 | -38.8 | 179.7 | -74.2 | 0 | 0 | 0 | 0 | 111.2 | I19 C41 S42 K47 I48 | I19-C44 HydrophobicContact CB-CB 4.25Å; I19-C44 HydrophobicContact CD1-CB 4.32Å; I19-C44 HydrophobicContact CG2-CB 4.21Å; C41-C44 PolarHBondContact O-N 2.84Å; C41-C44 VanDerWaalsContact O-N 3.13Å; C41-C44 PolarHBondContact SG-N 2.96Å; C41-C44 VanDerWaalsContact SG-N 3.42Å; C41-C44 PolarHBondContact SG-SG 2.84Å; S42-C44 PolarHBondContact O-N 3.49Å; C44-K47 PolarHBondContact O-N 3.01Å; C44-I48 WeakPolarHBondContact O-CD1 3.42Å; C44-I48 WeakPolarHBondContact O-CG1 3.13Å; C44-I48 PolarHBondContact O-N 3.31Å |
| 45 | L | 87.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65 | -41.8 | 176.1 | -70 | 172.8 | 0 | 0 | 0 | 112.6 | K32 L34 L40 C41 S42 K43 I48 L49 L59 V75 | K32-L45 HydrophobicContact CB-CD1 3.29Å; K32-L45 HydrophobicContact CG-CD1 3.86Å; L34-L45 HydrophobicContact CD1-CD2 3.92Å; L40-L45 HydrophobicContact CB-CD1 4.24Å; L40-L45 HydrophobicContact CB-CD2 3.82Å; L40-L45 HydrophobicContact CB-CG 3.77Å; L40-L45 HydrophobicContact CD2-CD2 3.59Å; L40-L45 HydrophobicContact CD2-CG 4.27Å; L40-L45 HydrophobicContact CG-CD2 4.26Å; C41-L45 PolarHBondContact O-N 3.26Å; C41-L45 VanDerWaalsContact O-N 3.08Å; S42-L45 PolarHBondContact O-N 3.49Å; K43-L45 VanDerWaalsContact C-N 3.32Å; L45-I48 PolarHBondContact O-N 2.76Å; L45-L49 PolarHBondContact O-N 3.4Å; L45-L49 VanDerWaalsContact O-N 3.08Å; L45-L59 HydrophobicContact CB-CD1 4.05Å; L45-L59 HydrophobicContact CD2-CD1 3.45Å; L45-L59 VanDerWaalsContact CD2-CD1 3.45Å; L45-L59 HydrophobicContact CD2-CD2 3.82Å; L45-L59 HydrophobicContact CD2-CG 4.33Å; L45-L59 HydrophobicContact CG-CD1 4.32Å; L45-V75 HydrophobicContact CB-CG1 3.49Å; L45-V75 VanDerWaalsContact CB-CG1 3.49Å; L45-V75 HydrophobicContact CB-CG2 4.15Å; L45-V75 HydrophobicContact CD1-CG1 3.9Å; L45-V75 HydrophobicContact CG-CG1 4.36Å |
| 46 | C | 84.9 | Confident | 80.7 | Confident | 44 Ų | 44 | 66.7 Ų | 66.7 | 30% | 0.297 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -59.1 | -49.7 | 174.9 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | S42 K43 I48 L49 D50 V75 | S42-C46 PolarHBondContact O-N 2.95Å; S42-C46 PolarHBondContact O-SG 2.88Å; K43-C46 PolarHBondContact O-N 3.33Å; C46-I48 VanDerWaalsContact C-N 3.28Å; C46-I48 PolarHBondContact O-N 3.05Å; C46-L49 WeakPolarHBondContact O-CB 3.14Å; C46-L49 PolarHBondContact O-N 3.46Å; C46-D50 PolarHBondContact O-N 2.87Å; C46-V75 HydrophobicContact CB-CG2 4.4Å |
| 47 | K | 84.1 | Confident | 80.1 | Confident | 123 Ų | 123 | 68.4 Ų | 68.4 | 54% | 0.535 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58 | -39.9 | 177.2 | -70.1 | -179.8 | 179.7 | -173.7 | 0 | 112.6 | K43 C44 L49 D50 L51 | K43-K47 WeakPolarHBondContact O-CG 3.22Å; K43-K47 PolarHBondContact O-N 3.41Å; K43-K47 VanDerWaalsContact O-N 3.11Å; C44-K47 PolarHBondContact O-N 3.01Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 PolarHBondContact O-N 3.42Å; K47-D50 PolarHBondContact O-N 3.44Å; K47-L51 HydrophobicContact CB-CD1 4.24Å; K47-L51 WeakPolarHBondContact O-CB 3.5Å; K47-L51 WeakPolarHBondContact O-CD1 3.37Å; K47-L51 PolarHBondContact O-N 2.97Å |
| 48 | I | 84.1 | Confident | 79.9 | Confident | 48 Ų | 48 | 58.8 Ų | 58.8 | 25% | 0.246 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 178.8 | -69.9 | 162.6 | 0 | 0 | 0 | 111.3 | I19 L40 C44 L45 C46 G52 L59 P62 | I19-I48 HydrophobicContact CD1-CD1 3.95Å; L40-I48 HydrophobicContact CD2-CD1 3.67Å; C44-I48 WeakPolarHBondContact O-CD1 3.42Å; C44-I48 WeakPolarHBondContact O-CG1 3.13Å; C44-I48 PolarHBondContact O-N 3.31Å; L45-I48 PolarHBondContact O-N 2.76Å; C46-I48 VanDerWaalsContact C-N 3.28Å; C46-I48 PolarHBondContact O-N 3.05Å; I48-G52 PolarHBondContact O-N 2.91Å; I48-G52 VanDerWaalsContact O-N 3.11Å; I48-L59 HydrophobicContact CG2-CD1 4.48Å; I48-L59 HydrophobicContact CG2-CG 4.22Å; I48-P62 HydrophobicContact CD1-CG 4.05Å |
| 49 | L | 81.2 | Confident | 79.7 | Confident | 23 Ų | 23 | 55.6 Ų | 55.6 | 12% | 0.12 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -69.1 | -47 | 172.3 | -69.4 | 175.5 | 0 | 0 | 0 | 111.7 | L45 C46 K47 L51 G52 L59 F70 V75 | L45-L49 PolarHBondContact O-N 3.4Å; L45-L49 VanDerWaalsContact O-N 3.08Å; C46-L49 WeakPolarHBondContact O-CB 3.14Å; C46-L49 PolarHBondContact O-N 3.46Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 PolarHBondContact O-N 3.42Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.11Å; L49-G52 PolarHBondContact O-N 2.71Å; L49-G52 VanDerWaalsContact O-N 3.08Å; L49-L59 HydrophobicContact CD1-CD1 4.41Å; L49-L59 HydrophobicContact CD2-CB 3.83Å; L49-L59 HydrophobicContact CD2-CD1 3.96Å; L49-L59 HydrophobicContact CD2-CG 4.14Å; L49-L59 HydrophobicContact CG-CD1 3.86Å; L49-F70 HydrophobicContact CD1-CE1 4.4Å; L49-F70 HydrophobicContact CD1-CE2 4.44Å; L49-F70 HydrophobicContact CD1-CZ 3.65Å; L49-F70 HydrophobicContact CD2-CE1 4.25Å; L49-F70 HydrophobicContact CD2-CZ 4.03Å; L49-V75 HydrophobicContact CD1-CG2 3.29Å; L49-V75 HydrophobicContact CG-CG2 4.33Å |
| 50 | D | 78.3 | Confident | 79.7 | Confident | 116 Ų | 116 | 52.7 Ų | 52.7 | 62% | 0.62 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -63.9 | -32.2 | -176.4 | -61.5 | -30.5 | 0 | 0 | 0 | 112.7 | C46 K47 | C46-D50 PolarHBondContact O-N 2.87Å; K47-D50 PolarHBondContact O-N 3.44Å |
| 51 | L | 75.6 | Confident | 79.7 | Confident | 101 Ų | 101 | 52.7 Ų | 52.7 | 53% | 0.529 | 29% | 0.291 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | -11.2 | 176.1 | -78.1 | 100.3 | 0 | 0 | 0 | 113.5 | K47 L49 | K47-L51 HydrophobicContact CB-CD1 4.24Å; K47-L51 WeakPolarHBondContact O-CB 3.5Å; K47-L51 WeakPolarHBondContact O-CD1 3.37Å; K47-L51 PolarHBondContact O-N 2.97Å; L49-L51 VanDerWaalsContact C-N 3.27Å; L49-L51 PolarHBondContact O-N 3.11Å |
| 52 | G | 68.4 | Low | 79.6 | Confident | 31 Ų | 31 | 55.9 Ų | 55.9 | 32% | 0.32 | 31% | 0.312 | S | S | . | . | trans | -80.1 | 135.7 | -176 | 0 | 0 | 0 | 0 | 0 | 111.6 | I48 L49 S54 | I48-G52 PolarHBondContact O-N 2.91Å; I48-G52 VanDerWaalsContact O-N 3.11Å; L49-G52 PolarHBondContact O-N 2.71Å; L49-G52 VanDerWaalsContact O-N 3.08Å; G52-S54 PolarHBondContact O-N 3.27Å | ||
| 53 | E | 61.1 | Low | 79.6 | Confident | 210 Ų | 210 | 59.2 Ų | 59.2 | 98% | 0.981 | 32% | 0.324 | S | S | * | . | S | Bend | trans | -71.5 | 0.3 | 163.7 | -65.5 | 173.7 | 165.3 | 0 | 0 | 112.1 | ||
| 54 | S | 64.4 | Low | 79.6 | Confident | 38 Ų | 38 | 58.5 Ų | 58.5 | 27% | 0.266 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -69.8 | 148.9 | 177.5 | 46.9 | 0 | 0 | 0 | 0 | 111.3 | G52 A58 | G52-S54 PolarHBondContact O-N 3.27Å; S54-A58 PolarHBondContact OG-O 2.99Å |
| 55 | P | 67.5 | Low | 79.6 | Confident | 73 Ų | 73 | 68.2 Ų | 68.2 | 47% | 0.474 | 36% | 0.361 | S | S | . | . | trans | -60.1 | 150.3 | 175.3 | 27.8 | -34.6 | 0 | 0 | 0 | 110.5 | D57 A58 | P55-D57 VanDerWaalsContact CB-OD1 3.29Å; P55-D57 WeakPolarHBondContact CB-OD1 3.42Å; P55-D57 WeakPolarHBondContact CG-OD1 3.27Å; P55-D57 PolarHBondContact O-N 3.18Å; P55-A58 HydrophobicContact CG-CB 3.99Å; P55-A58 PolarHBondContact O-N 2.76Å | ||
| 56 | P | 68.2 | Low | 79.5 | Confident | 63 Ų | 63 | 71 Ų | 71 | 41% | 0.409 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62 | -9.8 | -169.9 | 20.7 | -32 | 0 | 0 | 0 | 115.3 | F70 E73 | P56-F70 WeakPolarHBondContact O-CZ 3.27Å; P56-E73 HydrophobicContact CB-CG 3.7Å; P56-E73 WeakPolarHBondContact CB-OE1 3.26Å |
| 57 | D | 74.6 | Confident | 79.5 | Confident | 70 Ų | 70 | 72.7 Ų | 72.7 | 37% | 0.374 | 39% | 0.389 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.1 | 2.6 | 179.8 | 67.4 | -24.1 | 0 | 0 | 0 | 113.6 | P55 R69 F70 | P55-D57 VanDerWaalsContact CB-OD1 3.29Å; P55-D57 WeakPolarHBondContact CB-OD1 3.42Å; P55-D57 WeakPolarHBondContact CG-OD1 3.27Å; P55-D57 PolarHBondContact O-N 3.18Å; D57-R69 WeakPolarHBondContact O-CA 3.39Å; D57-F70 PolarHBondContact O-N 2.99Å |
| 58 | A | 81 | Confident | 79.5 | Confident | 6 Ų | 6 | 67.1 Ų | 67.1 | 5% | 0.05 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 127.8 | -174.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | S54 P55 T67 R69 | S54-A58 PolarHBondContact OG-O 2.99Å; P55-A58 HydrophobicContact CG-CB 3.99Å; P55-A58 PolarHBondContact O-N 2.76Å; A58-T67 HydrophobicContact CB-CG2 3.95Å; A58-R69 HydrophobicContact CB-CG 4.33Å |
| 59 | L | 85.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 130.7 | 176.6 | -170.7 | 146.2 | 0 | 0 | 0 | 111 | L34 L45 I48 L49 T67 T68 F70 | L34-L59 HydrophobicContact CD2-CD2 3.43Å; L34-L59 VanDerWaalsContact CD2-CD2 3.43Å; L34-L59 HydrophobicContact CG-CD2 4.21Å; L45-L59 HydrophobicContact CB-CD1 4.05Å; L45-L59 HydrophobicContact CD2-CD1 3.45Å; L45-L59 VanDerWaalsContact CD2-CD1 3.45Å; L45-L59 HydrophobicContact CD2-CD2 3.82Å; L45-L59 HydrophobicContact CD2-CG 4.33Å; L45-L59 HydrophobicContact CG-CD1 4.32Å; I48-L59 HydrophobicContact CG2-CD1 4.48Å; I48-L59 HydrophobicContact CG2-CG 4.22Å; L49-L59 HydrophobicContact CD1-CD1 4.41Å; L49-L59 HydrophobicContact CD2-CB 3.83Å; L49-L59 HydrophobicContact CD2-CD1 3.96Å; L49-L59 HydrophobicContact CD2-CG 4.14Å; L49-L59 HydrophobicContact CG-CD1 3.86Å; L59-T67 CarbonylContact O-C 3.54Å; L59-T67 WeakPolarHBondContact O-CA 3.29Å; L59-T68 PolarHBondContact N-O 2.93Å; L59-T68 PolarHBondContact O-N 3.02Å; L59-F70 HydrophobicContact CB-CE1 4.06Å |
| 60 | V | 87.5 | Confident | 79.1 | Confident | 63 Ų | 63 | 73.5 Ų | 73.5 | 38% | 0.382 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 125 | 172.8 | 179.8 | 0 | 0 | 0 | 0 | 109.8 | R65 | V60-R65 HydrophobicContact CG1-CB 4.36Å |
| 61 | C | 88.2 | Confident | 78.3 | Confident | 0 Ų | 0 | 75.7 Ų | 75.7 | 0% | 0 | 40% | 0.397 | C | S | . | . | trans | -64.8 | 127.3 | 176.6 | -176.3 | 0 | 0 | 0 | 0 | 111 | L34 H38 F63 R65 C66 | L34-C61 HydrophobicContact CD2-CB 3.56Å; H38-C61 PolarHBondContact ND1-SG 3.22Å; C61-F63 PolarHBondContact O-N 3.29Å; C61-R65 WeakPolarHBondContact O-CA 3.36Å; C61-R65 PolarHBondContact O-N 3.37Å; C61-C66 WeakPolarHBondContact CB-O 3.43Å; C61-C66 PolarHBondContact N-O 3.11Å | ||
| 62 | P | 87.7 | Confident | 77.5 | Confident | 68 Ų | 68 | 73 Ų | 73 | 44% | 0.442 | 39% | 0.393 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.5 | -20.5 | 179.2 | 26 | -32.5 | 0 | 0 | 0 | 113.5 | I19 L40 I48 | I19-P62 HydrophobicContact CD1-CG 3.67Å; L40-P62 HydrophobicContact CD2-CG 3.77Å; I48-P62 HydrophobicContact CD1-CG 4.05Å |
| 63 | F | 87.3 | Confident | 77.1 | Confident | 95 Ų | 95 | 78.6 Ų | 78.6 | 42% | 0.417 | 41% | 0.411 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.7 | -43.9 | -178.7 | -58.3 | -69.2 | 0 | 0 | 0 | 112.7 | K18 I19 H38 L40 C61 | K18-F63 HydrophobicContact CB-CE1 4.26Å; K18-F63 HydrophobicContact CB-CZ 3.94Å; I19-F63 HydrophobicContact CD1-CE2 4.43Å; I19-F63 HydrophobicContact CD1-CZ 4.33Å; I19-F63 HydrophobicContact CG1-CZ 3.98Å; H38-F63 HydrophobicContact CB-CD2 3.92Å; H38-F63 AromaticContact CG-CD2 3.95Å; L40-F63 HydrophobicContact CD1-CD2 3.88Å; L40-F63 HydrophobicContact CD1-CE2 3.45Å; L40-F63 VanDerWaalsContact CD1-CE2 3.45Å; L40-F63 HydrophobicContact CD2-CE2 4.49Å; L40-F63 HydrophobicContact CG-CE2 3.92Å; C61-F63 PolarHBondContact O-N 3.29Å |
| 64 | C | 87.6 | Confident | 77.3 | Confident | 48 Ų | 48 | 70.5 Ų | 70.5 | 32% | 0.324 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -127 | 4.6 | -171.8 | 69.2 | 0 | 0 | 0 | 0 | 114.5 | C36 H38 C66 | C36-C64 WeakPolarHBondContact CB-SG 3.19Å; C36-C64 PolarHBondContact SG-SG 3.17Å; H38-C64 VanDerWaalsContact CE1-SG 3.52Å; H38-C64 PolarHBondContact ND1-SG 3.48Å; C64-C66 PolarHBondContact O-N 3.18Å; C64-C66 PolarHBondContact SG-SG 2.83Å |
| 65 | R | 87.4 | Confident | 77.5 | Confident | 212 Ų | 212 | 69 Ų | 69 | 80% | 0.8 | 37% | 0.369 | S | S | * | . | trans | 58.8 | 9.5 | 179.6 | -54.7 | -176.8 | 179.6 | -148.3 | -0.1 | 115.6 | V60 C61 T67 | V60-R65 HydrophobicContact CG1-CB 4.36Å; C61-R65 WeakPolarHBondContact O-CA 3.36Å; C61-R65 PolarHBondContact O-N 3.37Å; R65-T67 PolarHBondContact O-N 3.33Å | ||
| 66 | C | 85.6 | Confident | 77.6 | Confident | 60 Ų | 60 | 75.2 Ų | 75.2 | 41% | 0.405 | 38% | 0.383 | S | S | . | . | trans | -69.7 | 131.5 | 174.3 | -61.4 | 0 | 0 | 0 | 0 | 111 | C36 C61 C64 | C36-C66 HydrophobicContact CB-CB 3.83Å; C61-C66 WeakPolarHBondContact CB-O 3.43Å; C61-C66 PolarHBondContact N-O 3.11Å; C64-C66 PolarHBondContact O-N 3.18Å; C64-C66 PolarHBondContact SG-SG 2.83Å | ||
| 67 | T | 84.9 | Confident | 77.7 | Confident | 79 Ų | 79 | 76.9 Ų | 76.9 | 49% | 0.485 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.2 | 124.8 | 177 | -49.5 | 0 | 0 | 0 | 0 | 111.4 | A58 L59 R65 | A58-T67 HydrophobicContact CB-CG2 3.95Å; L59-T67 CarbonylContact O-C 3.54Å; L59-T67 WeakPolarHBondContact O-CA 3.29Å; R65-T67 PolarHBondContact O-N 3.33Å |
| 68 | T | 84.3 | Confident | 77.9 | Confident | 5 Ų | 5 | 73.9 Ų | 73.9 | 3% | 0.031 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 108.3 | 172.3 | -63.3 | 0 | 0 | 0 | 0 | 109 | K35 L59 L78 | K35-T68 HydrophobicContact CB-CG2 4.39Å; K35-T68 HydrophobicContact CD-CG2 4.29Å; K35-T68 HydrophobicContact CG-CG2 3.9Å; K35-T68 PolarHBondContact N-OG1 3.19Å; L59-T68 PolarHBondContact N-O 2.93Å; L59-T68 PolarHBondContact O-N 3.02Å; T68-L78 HydrophobicContact CG2-CD2 4.01Å |
| 69 | R | 80.4 | Confident | 77.8 | Confident | 180 Ų | 180 | 77.8 Ų | 77.8 | 68% | 0.679 | 40% | 0.397 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 136.2 | 169.4 | -63.4 | -172.8 | -176.6 | 171.3 | 0.1 | 111 | K35 D57 A58 | K35-R69 VanDerWaalsContact CE-O 3.3Å; K35-R69 WeakPolarHBondContact CE-O 3.43Å; K35-R69 PolarHBondContact NZ-O 3.25Å; D57-R69 WeakPolarHBondContact O-CA 3.39Å; A58-R69 HydrophobicContact CB-CG 4.33Å |
| 70 | F | 75.1 | Confident | 77.7 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 11% | 0.11 | 41% | 0.406 | C | S | . | . | trans | -133.8 | 158.5 | 178.1 | 52.5 | -81.6 | 0 | 0 | 0 | 110.3 | L49 P56 D57 L59 G72 L78 | L49-F70 HydrophobicContact CD1-CE1 4.4Å; L49-F70 HydrophobicContact CD1-CE2 4.44Å; L49-F70 HydrophobicContact CD1-CZ 3.65Å; L49-F70 HydrophobicContact CD2-CE1 4.25Å; L49-F70 HydrophobicContact CD2-CZ 4.03Å; P56-F70 WeakPolarHBondContact O-CZ 3.27Å; D57-F70 PolarHBondContact O-N 2.99Å; L59-F70 HydrophobicContact CB-CE1 4.06Å; F70-G72 WeakPolarHBondContact CD2-O 3.43Å; F70-G72 WeakPolarHBondContact CE2-O 3.21Å; F70-G72 PolarHBondContact O-N 3.44Å; F70-L78 HydrophobicContact CD1-CD1 4.04Å; F70-L78 HydrophobicContact CE1-CD1 4.46Å; F70-L78 HydrophobicContact CG-CD1 4.11Å | ||
| 71 | L | 61.5 | Low | 77.5 | Confident | 163 Ų | 163 | 77.1 Ų | 77.1 | 85% | 0.853 | 39% | 0.391 | S | S | * | . | S | Bend | trans | -83.3 | 111.8 | -176.6 | -158.1 | 79.1 | 0 | 0 | 0 | 109.1 | N77 | L71-N77 PolarHBondContact O-ND2 3.49Š|
| 72 | G | 59.9 | Low | 77 | Confident | 43 Ų | 43 | 81.9 Ų | 81.9 | 44% | 0.443 | 42% | 0.424 | S | S | . | . | S | Bend | trans | 85.7 | 173 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | F70 A74 | F70-G72 WeakPolarHBondContact CD2-O 3.43Å; F70-G72 WeakPolarHBondContact CE2-O 3.21Å; F70-G72 PolarHBondContact O-N 3.44Å; G72-A74 VanDerWaalsContact C-N 3.25Å; G72-A74 PolarHBondContact O-N 3.45Å |
| 73 | E | 58.7 | Low | 76.6 | Confident | 150 Ų | 150 | 82 Ų | 82 | 70% | 0.701 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -76.1 | 0.7 | -168.4 | -148.7 | 125.8 | 179.2 | 0 | 0 | 115.4 | P56 | P56-E73 HydrophobicContact CB-CG 3.7Å; P56-E73 WeakPolarHBondContact CB-OE1 3.26Å |
| 74 | A | 66.2 | Low | 76.3 | Confident | 39 Ų | 39 | 77.8 Ų | 77.8 | 32% | 0.322 | 41% | 0.408 | S | S | . | . | trans | -106.2 | 117.9 | -166.3 | 0 | 0 | 0 | 0 | 0 | 113 | G72 R76 N77 | G72-A74 VanDerWaalsContact C-N 3.25Å; G72-A74 PolarHBondContact O-N 3.45Å; A74-R76 HydrophobicContact CB-CB 4.31Å; A74-R76 PolarHBondContact O-N 2.77Å; A74-N77 WeakPolarHBondContact O-CB 3.41Å; A74-N77 PolarHBondContact O-N 3.39Å | ||
| 75 | V | 68.8 | Low | 76.1 | Confident | 8 Ų | 8 | 76.7 Ų | 76.7 | 5% | 0.048 | 40% | 0.4 | C | S | . | . | G | 310 helix | trans | -48.3 | -26.2 | 165.2 | 176.5 | 0 | 0 | 0 | 0 | 112.9 | L45 C46 L49 N77 L78 | L45-V75 HydrophobicContact CB-CG1 3.49Å; L45-V75 VanDerWaalsContact CB-CG1 3.49Å; L45-V75 HydrophobicContact CB-CG2 4.15Å; L45-V75 HydrophobicContact CD1-CG1 3.9Å; L45-V75 HydrophobicContact CG-CG1 4.36Å; C46-V75 HydrophobicContact CB-CG2 4.4Å; L49-V75 HydrophobicContact CD1-CG2 3.29Å; L49-V75 HydrophobicContact CG-CG2 4.33Å; V75-N77 PolarHBondContact O-N 2.83Å; V75-L78 PolarHBondContact O-N 3.14Å; V75-L78 VanDerWaalsContact O-N 3.12Å |
| 76 | R | 68.8 | Low | 75.8 | Confident | 203 Ų | 203 | 69 Ų | 69 | 77% | 0.766 | 38% | 0.382 | S | S | * | . | G | 310 helix | trans | -57.5 | -28.2 | 176.6 | -62 | -175 | 70.4 | -158.4 | 1 | 112.8 | K32 A74 L78 | K32-R76 PolarHBondContact NZ-O 2.8Å; K32-R76 VanDerWaalsContact NZ-O 3.13Å; A74-R76 HydrophobicContact CB-CB 4.31Å; A74-R76 PolarHBondContact O-N 2.77Å; R76-L78 VanDerWaalsContact C-N 3.28Å; R76-L78 PolarHBondContact O-N 3.49Å |
| 77 | N | 71.2 | Confident | 75.5 | Confident | 98 Ų | 98 | 70.5 Ų | 70.5 | 52% | 0.524 | 38% | 0.379 | S | S | . | . | G | 310 helix | trans | -76.5 | -11.7 | -179.1 | -64.2 | -30.8 | 0 | 0 | 0 | 113.4 | L71 A74 V75 | L71-N77 PolarHBondContact O-ND2 3.49Å; A74-N77 WeakPolarHBondContact O-CB 3.41Å; A74-N77 PolarHBondContact O-N 3.39Å; V75-N77 PolarHBondContact O-N 2.83Å |
| 78 | L | 78.5 | Confident | 75.4 | Confident | 6 Ų | 6 | 67.5 Ų | 67.5 | 3% | 0.031 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -70.3 | 142.9 | 171 | -79.6 | 96.6 | 0 | 0 | 0 | 110.5 | K32 L34 T68 F70 V75 R76 | K32-L78 HydrophobicContact CB-CB 4.4Å; K32-L78 HydrophobicContact CD-CB 4.06Å; K32-L78 VanDerWaalsContact CD-O 3.3Å; K32-L78 WeakPolarHBondContact CD-O 3.27Å; K32-L78 WeakPolarHBondContact CE-O 3.46Å; K32-L78 PolarHBondContact NZ-O 3.44Å; L34-L78 HydrophobicContact CG-CD2 4.26Å; T68-L78 HydrophobicContact CG2-CD2 4.01Å; F70-L78 HydrophobicContact CD1-CD1 4.04Å; F70-L78 HydrophobicContact CE1-CD1 4.46Å; F70-L78 HydrophobicContact CG-CD1 4.11Å; V75-L78 PolarHBondContact O-N 3.14Å; V75-L78 VanDerWaalsContact O-N 3.12Å; R76-L78 VanDerWaalsContact C-N 3.28Å; R76-L78 PolarHBondContact O-N 3.49Å |
| 79 | P | 79.6 | Confident | 75.3 | Confident | 89 Ų | 89 | 69.2 Ų | 69.2 | 58% | 0.578 | 37% | 0.374 | S | S | * | . | P | Polyproline II helix | trans | -63.3 | 139.3 | 176.6 | 26.4 | -32.9 | 0 | 0 | 0 | 110.6 | V33 | V33-P79 PolarHBondContact N-O 2.8Š|
| 80 | D | 83.3 | Confident | 75.2 | Confident | 33 Ų | 33 | 65.7 Ų | 65.7 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | B | Isolated β-bridge | trans | -77.5 | 153.1 | 170.2 | -59 | -65.4 | 0 | 0 | 0 | 110.2 | R30 P31 K32 C82 V85 | R30-D80 WeakPolarHBondContact CD-OD1 3.31Å; R30-D80 IonicContact CZ-OD1 3.56Å; R30-D80 IonicContact CZ-OD2 2.87Å; R30-D80 IonicContact NE-OD1 3.42Å; R30-D80 PolarHBondContact NE-OD1 3.24Å; R30-D80 IonicContact NE-OD2 3.52Å; R30-D80 IonicContact NH1-OD1 3.8Å; R30-D80 IonicContact NH1-OD2 2.98Å; R30-D80 PolarHBondContact NH1-OD2 3.34Å; R30-D80 IonicContact NH2-OD2 2.9Å; R30-D80 PolarHBondContact NH2-OD2 3.31Å; P31-D80 WeakPolarHBondContact O-CA 3.27Å; K32-D80 WeakPolarHBondContact CD-OD1 3.41Å; K32-D80 WeakPolarHBondContact CE-OD1 3.33Å; K32-D80 VanDerWaalsContact NZ-CG 3.28Å; K32-D80 IonicContact NZ-OD1 2.73Å; K32-D80 PolarHBondContact NZ-OD1 2.89Å; K32-D80 IonicContact NZ-OD2 3.31Å; K32-D80 PolarHBondContact NZ-OD2 3.29Å; D80-C82 PolarHBondContact O-N 3.23Å; D80-V85 HydrophobicContact CB-CG2 4.15Å |
| 81 | D | 81.8 | Confident | 75.3 | Confident | 15 Ų | 15 | 68.4 Ų | 68.4 | 8% | 0.08 | 38% | 0.381 | C | S | . | . | trans | -74.5 | 95.8 | 167.4 | -166.8 | -38.7 | 0 | 0 | 0 | 109.4 | P31 V33 R39 S83 L84 V85 | P31-D81 HydrophobicContact CB-CB 4.38Å; P31-D81 HydrophobicContact CG-CB 4.42Å; P31-D81 PolarHBondContact O-N 3Å; V33-D81 HydrophobicContact CG2-CB 3.61Å; R39-D81 IonicContact CZ-OD2 3.31Å; R39-D81 VanDerWaalsContact CZ-OD2 3.31Å; R39-D81 IonicContact NE-OD2 3.04Å; R39-D81 PolarHBondContact NE-OD2 3.24Å; R39-D81 IonicContact NH2-OD2 2.68Å; R39-D81 PolarHBondContact NH2-OD2 3.42Å; R39-D81 VanDerWaalsContact NH2-OD2 3.08Å; D81-S83 PolarHBondContact O-N 3.31Å; D81-S83 WeakPolarHBondContact OD1-CB 3.24Å; D81-S83 PolarHBondContact OD1-N 3.02Å; D81-S83 PolarHBondContact OD1-OG 2.88Å; D81-L84 HydrophobicContact CB-CB 4.02Å; D81-L84 PolarHBondContact O-N 3.01Å; D81-L84 VanDerWaalsContact O-N 3.16Å; D81-L84 PolarHBondContact OD1-N 2.92Å; D81-V85 WeakPolarHBondContact O-CB 3.27Å; D81-V85 VanDerWaalsContact O-CG2 3.29Å; D81-V85 WeakPolarHBondContact O-CG2 3.41Å; D81-V85 PolarHBondContact O-N 2.98Å | ||
| 82 | C | 78.4 | Confident | 75.8 | Confident | 101 Ų | 101 | 62.5 Ų | 62.5 | 68% | 0.682 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -56.4 | -33.8 | -179.1 | -62.2 | 0 | 0 | 0 | 0 | 112.9 | D80 A86 | D80-C82 PolarHBondContact O-N 3.23Å; C82-A86 VanDerWaalsContact O-CB 3.25Å; C82-A86 WeakPolarHBondContact O-CB 3.31Å; C82-A86 PolarHBondContact O-N 3.04Å |
| 83 | S | 80.1 | Confident | 76.5 | Confident | 69 Ų | 69 | 68.3 Ų | 68.3 | 48% | 0.483 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -69 | -41.4 | -179.8 | 73.6 | 0 | 0 | 0 | 0 | 111.4 | D81 R87 | D81-S83 PolarHBondContact O-N 3.31Å; D81-S83 WeakPolarHBondContact OD1-CB 3.24Å; D81-S83 PolarHBondContact OD1-N 3.02Å; D81-S83 PolarHBondContact OD1-OG 2.88Å; S83-R87 WeakPolarHBondContact O-CG 3.07Å; S83-R87 PolarHBondContact O-N 3.08Å; S83-R87 VanDerWaalsContact O-N 3.13Å |
| 84 | L | 81.1 | Confident | 77 | Confident | 7 Ų | 7 | 66.1 Ų | 66.1 | 4% | 0.037 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -76.3 | -39 | 179.4 | -154.8 | 131.5 | 0 | 0 | 0 | 111.3 | E14 Y24 P31 D81 A86 R87 L88 | E14-L84 WeakPolarHBondContact O-CD1 3.3Å; Y24-L84 HydrophobicContact CD2-CD1 4.25Å; Y24-L84 HydrophobicContact CD2-CD2 3.39Å; Y24-L84 HydrophobicContact CD2-CG 4.48Å; Y24-L84 HydrophobicContact CE2-CD1 4.41Å; Y24-L84 HydrophobicContact CE2-CD2 4.18Å; Y24-L84 HydrophobicContact CG-CD2 3.75Å; P31-L84 HydrophobicContact CB-CD2 3.96Å; P31-L84 HydrophobicContact CG-CB 4.22Å; P31-L84 HydrophobicContact CG-CD2 3.6Å; D81-L84 HydrophobicContact CB-CB 4.02Å; D81-L84 PolarHBondContact O-N 3.01Å; D81-L84 VanDerWaalsContact O-N 3.16Å; D81-L84 PolarHBondContact OD1-N 2.92Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.36Å; L84-R87 PolarHBondContact O-N 3.08Å; L84-L88 HydrophobicContact CD2-CD1 3.78Å; L84-L88 HydrophobicContact CD2-CG 4.17Å; L84-L88 WeakPolarHBondContact O-CB 3.26Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.26Å |
| 85 | V | 82.3 | Confident | 77 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 16% | 0.158 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -59 | -42.5 | 171.9 | 166.7 | 0 | 0 | 0 | 0 | 111.5 | L26 R30 P31 D80 D81 L88 A89 | L26-V85 HydrophobicContact CD2-CB 4.32Å; L26-V85 HydrophobicContact CD2-CG1 3.67Å; L26-V85 HydrophobicContact CD2-CG2 4.4Å; R30-V85 HydrophobicContact CG-CG2 4.47Å; P31-V85 HydrophobicContact CG-CG2 4Å; D80-V85 HydrophobicContact CB-CG2 4.15Å; D81-V85 WeakPolarHBondContact O-CB 3.27Å; D81-V85 VanDerWaalsContact O-CG2 3.29Å; D81-V85 WeakPolarHBondContact O-CG2 3.41Å; D81-V85 PolarHBondContact O-N 2.98Å; V85-L88 PolarHBondContact O-N 3.06Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 3.45Å |
| 86 | A | 80.9 | Confident | 76.7 | Confident | 51 Ų | 51 | 78 Ų | 78 | 42% | 0.421 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | C82 L84 L88 A89 L90 | C82-A86 VanDerWaalsContact O-CB 3.25Å; C82-A86 WeakPolarHBondContact O-CB 3.31Å; C82-A86 PolarHBondContact O-N 3.04Å; L84-A86 VanDerWaalsContact C-N 3.33Å; L84-A86 PolarHBondContact O-N 3.36Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-L88 PolarHBondContact O-N 3.27Å; A86-A89 PolarHBondContact O-N 3.29Å; A86-L90 WeakPolarHBondContact O-CG 3.39Å; A86-L90 PolarHBondContact O-N 2.89Å |
| 87 | R | 80.5 | Confident | 76.3 | Confident | 91 Ų | 91 | 72.9 Ų | 72.9 | 34% | 0.343 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -58.6 | -43.8 | 174.1 | -74.1 | 170.8 | 63.9 | -171.8 | -0.2 | 111.8 | E14 M15 S83 L84 L90 Q91 | E14-R87 IonicContact OE2-CZ 3.82Å; E14-R87 IonicContact OE2-NH1 3.08Å; E14-R87 PolarHBondContact OE2-NH1 3.47Å; E14-R87 IonicContact OE2-NH2 3.59Å; M15-R87 HydrophobicContact CE-CB 3.82Å; M15-R87 VanDerWaalsContact CE-CZ 3.49Å; S83-R87 WeakPolarHBondContact O-CG 3.07Å; S83-R87 PolarHBondContact O-N 3.08Å; S83-R87 VanDerWaalsContact O-N 3.13Å; L84-R87 PolarHBondContact O-N 3.08Å; R87-L90 PolarHBondContact O-N 2.84Å; R87-Q91 PolarHBondContact O-N 3.23Å |
| 88 | L | 82.4 | Confident | 75.6 | Confident | 16 Ų | 16 | 76.4 Ų | 76.4 | 8% | 0.084 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -64.7 | -40.9 | 177.2 | -70.3 | 172.8 | 0 | 0 | 0 | 112.3 | Y24 L26 L84 V85 A86 L90 Q91 S92 | Y24-L88 WeakPolarHBondContact O-CD2 3.45Å; L26-L88 HydrophobicContact CD2-CB 4.33Å; L26-L88 HydrophobicContact CG-CB 4.45Å; L84-L88 HydrophobicContact CD2-CD1 3.78Å; L84-L88 HydrophobicContact CD2-CG 4.17Å; L84-L88 WeakPolarHBondContact O-CB 3.26Å; L84-L88 VanDerWaalsContact O-CG 3.24Å; L84-L88 WeakPolarHBondContact O-CG 3.47Å; L84-L88 PolarHBondContact O-N 3.26Å; V85-L88 PolarHBondContact O-N 3.06Å; A86-L88 VanDerWaalsContact C-N 3.33Å; A86-L88 PolarHBondContact O-N 3.27Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 2.98Å; L88-Q91 PolarHBondContact O-N 3.11Å; L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 3.05Å |
| 89 | A | 80.9 | Confident | 74.3 | Confident | 40 Ų | 40 | 86.5 Ų | 86.5 | 33% | 0.331 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -61.2 | -44.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | L26 V85 A86 S92 R93 | L26-A89 HydrophobicContact CD1-CB 4.32Å; V85-A89 WeakPolarHBondContact O-CB 3.33Å; V85-A89 PolarHBondContact O-N 3.45Å; A86-A89 PolarHBondContact O-N 3.29Å; A89-S92 PolarHBondContact O-N 3.08Å; A89-S92 PolarHBondContact O-OG 2.86Å; A89-R93 PolarHBondContact O-N 3.13Å |
| 90 | L | 79.4 | Confident | 73.1 | Confident | 107 Ų | 107 | 88.6 Ų | 88.6 | 56% | 0.56 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -63.3 | -44.9 | 176 | -68.7 | 173.6 | 0 | 0 | 0 | 112.3 | A86 R87 L88 S92 R93 N94 | A86-L90 WeakPolarHBondContact O-CG 3.39Å; A86-L90 PolarHBondContact O-N 2.89Å; R87-L90 PolarHBondContact O-N 2.84Å; L88-L90 VanDerWaalsContact C-N 3.35Å; L88-L90 PolarHBondContact O-N 2.98Å; L90-S92 PolarHBondContact O-N 3.01Å; L90-R93 PolarHBondContact O-N 3.1Å; L90-N94 VanDerWaalsContact O-CG 3.27Å; L90-N94 PolarHBondContact O-N 2.97Å |
| 91 | Q | 76.9 | Confident | 71.4 | Confident | 82 Ų | 82 | 93.3 Ų | 93.3 | 38% | 0.383 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -44.4 | 176.1 | -78.5 | -176.3 | -10.4 | 0 | 0 | 112 | M15 R87 L88 R93 N94 Q95 | M15-Q91 PolarHBondContact SD-NE2 2.94Å; M15-Q91 PolarHBondContact SD-OE1 3.4Å; R87-Q91 PolarHBondContact O-N 3.23Å; L88-Q91 PolarHBondContact O-N 3.11Å; Q91-R93 VanDerWaalsContact C-N 3.29Å; Q91-R93 PolarHBondContact O-N 3.46Å; Q91-N94 PolarHBondContact O-N 2.79Å; Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 WeakPolarHBondContact O-CG 2.97Å; Q91-Q95 PolarHBondContact O-N 3.48Å |
| 92 | S | 72.8 | Confident | 69.7 | Low | 38 Ų | 38 | 97.9 Ų | 97.9 | 27% | 0.266 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.9 | -37.2 | 178.5 | 75.5 | 0 | 0 | 0 | 0 | 112.4 | L88 A89 L90 R96 | L88-S92 WeakPolarHBondContact O-CB 3.47Å; L88-S92 PolarHBondContact O-N 3.43Å; L88-S92 PolarHBondContact O-OG 3.05Å; A89-S92 PolarHBondContact O-N 3.08Å; A89-S92 PolarHBondContact O-OG 2.86Å; L90-S92 PolarHBondContact O-N 3.01Å; S92-R96 PolarHBondContact O-N 3.39Å |
| 93 | R | 74.4 | Confident | 67.9 | Low | 165 Ų | 165 | 100 Ų | 100 | 62% | 0.623 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.4 | -44.5 | 176.2 | -174.1 | 178.3 | -179.1 | 178.8 | -0.8 | 111.2 | A89 L90 Q91 Q95 R96 N97 | A89-R93 PolarHBondContact O-N 3.13Å; L90-R93 PolarHBondContact O-N 3.1Å; Q91-R93 VanDerWaalsContact C-N 3.29Å; Q91-R93 PolarHBondContact O-N 3.46Å; R93-Q95 PolarHBondContact O-N 2.97Å; R93-R96 PolarHBondContact O-N 2.92Å; R93-N97 VanDerWaalsContact O-CG 3.27Å; R93-N97 PolarHBondContact O-N 3.45Å |
| 94 | N | 68.3 | Low | 65.9 | Low | 105 Ų | 105 | 101.1 Ų | 101.1 | 56% | 0.561 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -64.4 | -40.2 | 177.9 | -68.7 | -10.2 | 0 | 0 | 0 | 111.8 | L90 Q91 N97 F98 | L90-N94 VanDerWaalsContact O-CG 3.27Å; L90-N94 PolarHBondContact O-N 2.97Å; Q91-N94 PolarHBondContact O-N 2.79Å; N94-N97 PolarHBondContact O-N 2.59Å; N94-F98 WeakPolarHBondContact O-CB 3.33Å; N94-F98 PolarHBondContact O-N 2.78Å |
| 95 | Q | 66.1 | Low | 64.1 | Low | 128 Ų | 128 | 110.3 Ų | 110.3 | 60% | 0.598 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -66 | -40.5 | 176 | -72.5 | 177.6 | 10.2 | 0 | 0 | 112.6 | Q91 R93 F98 R99 | Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 WeakPolarHBondContact O-CG 2.97Å; Q91-Q95 PolarHBondContact O-N 3.48Å; R93-Q95 PolarHBondContact O-N 2.97Å; Q95-F98 PolarHBondContact O-N 3.07Å; Q95-R99 PolarHBondContact O-N 3.29Å |
| 96 | R | 63.7 | Low | 62.1 | Low | 169 Ų | 169 | 113.1 Ų | 113.1 | 64% | 0.638 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -44.6 | 172.6 | -80.4 | -166.3 | -166.4 | 114.9 | 1.5 | 111.7 | S92 R93 F98 R99 I100 | S92-R96 PolarHBondContact O-N 3.39Å; R93-R96 PolarHBondContact O-N 2.92Å; R96-F98 VanDerWaalsContact C-N 3.26Å; R96-F98 PolarHBondContact O-N 3Å; R96-R99 PolarHBondContact O-N 3.33Å; R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 2.75Å |
| 97 | N | 58.9 | Low | 60.6 | Low | 94 Ų | 94 | 119.7 Ų | 119.7 | 50% | 0.503 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.1 | -36.8 | 177.3 | -72.1 | -9.4 | 0 | 0 | 0 | 111.8 | R93 N94 | R93-N97 VanDerWaalsContact O-CG 3.27Å; R93-N97 PolarHBondContact O-N 3.45Å; N94-N97 PolarHBondContact O-N 2.59Å |
| 98 | F | 56.3 | Low | 58.6 | Low | 172 Ų | 172 | 122.2 Ų | 122.2 | 75% | 0.754 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -69.9 | -40.3 | 176.5 | -169.5 | -97.7 | 0 | 0 | 0 | 112.9 | N94 Q95 R96 I100 Q101 | N94-F98 WeakPolarHBondContact O-CB 3.33Å; N94-F98 PolarHBondContact O-N 2.78Å; Q95-F98 PolarHBondContact O-N 3.07Å; R96-F98 VanDerWaalsContact C-N 3.26Å; R96-F98 PolarHBondContact O-N 3Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 2.88Å; F98-Q101 PolarHBondContact O-N 3Å |
| 99 | R | 52.5 | Low | 56.7 | Low | 218 Ų | 218 | 129.6 Ų | 129.6 | 82% | 0.823 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.4 | -20.3 | 178.6 | -81.1 | -169.2 | 172.9 | -178 | -0.8 | 114.5 | Q95 R96 Q101 | Q95-R99 PolarHBondContact O-N 3.29Å; R96-R99 PolarHBondContact O-N 3.33Å; R99-Q101 VanDerWaalsContact C-N 3.28Å |
| 100 | I | 54.7 | Low | 54.8 | Low | 134 Ų | 134 | 134.4 Ų | 134.4 | 69% | 0.687 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.8 | -10.5 | 176.5 | -64.7 | 166.4 | 0 | 0 | 0 | 111.4 | R96 F98 P102 | R96-I100 WeakPolarHBondContact O-CG1 3.41Å; R96-I100 PolarHBondContact O-N 2.75Å; F98-I100 VanDerWaalsContact C-N 3.27Å; F98-I100 PolarHBondContact O-N 2.88Å; I100-P102 VanDerWaalsContact C-CD 3.44Å; I100-P102 WeakPolarHBondContact O-CD 3.4Å |
| 101 | Q | 47.8 | Very low | 53.3 | Low | 131 Ų | 131 | 133 Ų | 133 | 61% | 0.612 | 67% | 0.669 | S | S | * | * | trans | -116.2 | 76.3 | -179.1 | -162.8 | 89.9 | 57.4 | 0 | 0 | 112.6 | F98 R99 D103 | F98-Q101 PolarHBondContact O-N 3Å; R99-Q101 VanDerWaalsContact C-N 3.28Å; Q101-D103 PolarHBondContact NE2-O 3.26Å | ||
| 102 | P | 45.6 | Very low | 51.7 | Low | 112 Ų | 112 | 134.1 Ų | 134.1 | 73% | 0.727 | 68% | 0.684 | S | S | * | * | trans | -105.8 | 49.3 | 161.8 | 39.8 | -29.2 | 0 | 0 | 0 | 110.1 | I100 | I100-P102 VanDerWaalsContact C-CD 3.44Å; I100-P102 WeakPolarHBondContact O-CD 3.4Å | ||
| 103 | D | 39.2 | Very low | 50.4 | Low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 71% | 0.712 | S | S | * | * | S | Bend | trans | -172.1 | 150 | 153.7 | -119.1 | -26.4 | 0 | 0 | 0 | 109.9 | Q101 | Q101-D103 PolarHBondContact NE2-O 3.26Š|
| 104 | S | 38.3 | Very low | 48.9 | Very low | 93 Ų | 93 | 144.6 Ų | 144.6 | 65% | 0.65 | 72% | 0.717 | S | S | * | * | trans | 88.7 | 79.7 | -176.2 | -150.2 | 0 | 0 | 0 | 0 | 114.6 | A106 | S104-A106 PolarHBondContact O-N 3.43Š| ||
| 105 | E | 43 | Very low | 47.7 | Very low | 199 Ų | 199 | 144.7 Ų | 144.7 | 93% | 0.93 | 72% | 0.717 | S | S | * | * | trans | -33.5 | 97.6 | 140.6 | -168.3 | -172.1 | 168.6 | 0 | 0 | 112 | ||||
| 106 | A | 40.8 | Very low | 46.7 | Very low | 86 Ų | 86 | 145.2 Ų | 145.2 | 71% | 0.711 | 72% | 0.724 | S | S | * | * | trans | -179.7 | 94.5 | 147.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | S104 | S104-A106 PolarHBondContact O-N 3.43Š| ||
| 107 | E | 49.2 | Very low | 45.9 | Very low | 188 Ų | 188 | 141 Ų | 141 | 88% | 0.879 | 73% | 0.725 | S | S | * | * | trans | -54.1 | 139.6 | 160 | -66.6 | -177.8 | 141.9 | 0 | 0 | 110.6 | ||||
| 108 | L | 40 | Very low | 45.4 | Very low | 144 Ų | 144 | 143.9 Ų | 143.9 | 75% | 0.754 | 74% | 0.74 | S | S | * | * | -173.9 | 106 | 123.5 | -99.6 | 149.8 | 0 | 0 | 0 | 109.8 | L110 | L108-L110 PolarHBondContact O-N 3.12Š| |||
| 109 | L | 41.7 | Very low | 45 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 75% | 0.745 | S | S | * | * | trans | -49.4 | 112.7 | 162.1 | -80.1 | 168.9 | 0 | 0 | 0 | 109.4 | S111 | L109-S111 PolarHBondContact O-N 3.47Š| ||
| 110 | L | 40.3 | Very low | 44.8 | Very low | 141 Ų | 141 | 135.6 Ų | 135.6 | 74% | 0.738 | 73% | 0.727 | S | S | * | * | trans | -69.7 | 83.7 | 169.5 | -78.6 | 157 | 0 | 0 | 0 | 108.9 | L108 L115 | L108-L110 PolarHBondContact O-N 3.12Å; L110-L115 HydrophobicContact CD2-CD1 4.34Å | ||
| 111 | S | 48 | Very low | 43.9 | Very low | 76 Ų | 76 | 137.2 Ų | 137.2 | 53% | 0.531 | 74% | 0.736 | S | S | . | * | trans | -68 | 128 | 161.4 | -147.9 | 0 | 0 | 0 | 0 | 107.6 | L109 R113 R114 | L109-S111 PolarHBondContact O-N 3.47Å; S111-R113 PolarHBondContact O-N 3.02Å; S111-R114 PolarHBondContact O-N 3.44Å | ||
| 112 | P | 43.9 | Very low | 43.3 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 70% | 0.695 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.8 | -9.1 | -166.4 | 21 | -31.6 | 0 | 0 | 0 | 114.6 | ||
| 113 | R | 45.3 | Very low | 43.5 | Very low | 227 Ų | 227 | 138.9 Ų | 138.9 | 86% | 0.857 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.7 | -13.9 | 179.9 | -64.2 | -177.5 | 178.9 | 178.2 | -0.4 | 114.6 | S111 | S111-R113 PolarHBondContact O-N 3.02Š|
| 114 | R | 42.8 | Very low | 43.1 | Very low | 195 Ų | 195 | 135.8 Ų | 135.8 | 74% | 0.736 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -94.5 | -15 | -179.2 | -74.6 | -162.7 | 154.7 | -159.5 | -6.1 | 115.3 | S111 N116 A117 | S111-R114 PolarHBondContact O-N 3.44Å; R114-N116 VanDerWaalsContact C-N 3.29Å; R114-N116 PolarHBondContact O-N 3.35Å; R114-A117 PolarHBondContact O-N 3.15Å |
| 115 | L | 44.4 | Very low | 42.7 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 57% | 0.565 | 75% | 0.75 | S | S | * | * | G | 310 helix | trans | -67.7 | -29 | 174.4 | -96.7 | 148.9 | 0 | 0 | 0 | 112.8 | L110 A117 L118 | L110-L115 HydrophobicContact CD2-CD1 4.34Å; L115-A117 PolarHBondContact O-N 3.36Å; L115-L118 PolarHBondContact O-N 3.09Å |
| 116 | N | 44.9 | Very low | 42.1 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 74% | 0.743 | 75% | 0.747 | S | S | * | * | G | 310 helix | trans | -71.9 | -16.1 | -179.6 | -141.2 | 32.2 | 0 | 0 | 0 | 113.4 | R114 | R114-N116 VanDerWaalsContact C-N 3.29Å; R114-N116 PolarHBondContact O-N 3.35Å |
| 117 | A | 46.4 | Very low | 41.6 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 66% | 0.661 | 75% | 0.751 | S | S | * | * | G | 310 helix | trans | -83.3 | -17.2 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | R114 L115 | R114-A117 PolarHBondContact O-N 3.15Å; L115-A117 PolarHBondContact O-N 3.36Å |
| 118 | L | 48.7 | Very low | 40.7 | Very low | 155 Ų | 155 | 135.5 Ų | 135.5 | 81% | 0.812 | 75% | 0.749 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.6 | -14.9 | 177.5 | -82.2 | 129.4 | 0 | 0 | 0 | 113.3 | L115 | L115-L118 PolarHBondContact O-N 3.09Š|
| 119 | M | 46.8 | Very low | 40.3 | Very low | 173 Ų | 173 | 132.3 Ų | 132.3 | 85% | 0.852 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -95.3 | 0.5 | -179.4 | -158.7 | 171.1 | 178.1 | 0 | 0 | 113.3 | ||
| 120 | G | 48.3 | Very low | 39.9 | Very low | 43 Ų | 43 | 131.8 Ų | 131.8 | 44% | 0.443 | 75% | 0.748 | S | S | . | * | trans | -111.3 | 97.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 121 | N | 35.4 | Very low | 39.5 | Very low | 167 Ų | 167 | 136.9 Ų | 136.9 | 89% | 0.893 | 76% | 0.757 | S | S | * | * | trans | 177.6 | 123.2 | 131.6 | -85.5 | 3 | 0 | 0 | 0 | 110.7 | ||||
| 122 | N | 36.3 | Very low | 38.9 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 88% | 0.882 | 77% | 0.77 | S | S | * | * | trans | -81.1 | 171.3 | 177.9 | -113.7 | 10.3 | 0 | 0 | 0 | 111.6 | ||||
| 123 | P | 48.9 | Very low | 38.6 | Very low | 113 Ų | 113 | 137.8 Ų | 137.8 | 73% | 0.734 | 77% | 0.766 | S | S | * | * | -103.7 | 157.1 | -128.8 | 38.9 | -36.9 | 0 | 0 | 0 | 114.2 | |||||
| 124 | S | 31.4 | Very low | 38.5 | Very low | 81 Ų | 81 | 131.9 Ų | 131.9 | 57% | 0.566 | 76% | 0.757 | S | S | * | * | trans | -159.4 | 152.5 | 151.7 | 42 | 0 | 0 | 0 | 0 | 110 | ||||
| 125 | Y | 30.7 | Very low | 38.4 | Very low | 221 Ų | 221 | 130.2 Ų | 130.2 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | 75.6 | 119.1 | 175.5 | 31.1 | -86.8 | 0 | 0 | 0 | 119.5 | ||||
| 126 | S | 30.4 | Very low | 38.7 | Very low | 123 Ų | 123 | 132.7 Ų | 132.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -84.5 | 170.2 | -169.7 | -44.9 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 127 | A | 29.9 | Very low | 38.7 | Very low | 98 Ų | 98 | 132.1 Ų | 132.1 | 81% | 0.81 | 77% | 0.771 | S | S | * | * | trans | 92.6 | 126 | 168 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 128 | S | 30.4 | Very low | 38.6 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | cis | -171.7 | 155.6 | 8.9 | 43.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 129 | G | 30.7 | Very low | 38.1 | Very low | 77 Ų | 77 | 132.4 Ų | 132.4 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 84 | 84.1 | 151.7 | 0 | 0 | 0 | 0 | 0 | 118.3 | R131 | G129-R131 PolarHBondContact O-N 2.87Š| ||
| 130 | L | 33.3 | Very low | 37.8 | Very low | 161 Ų | 161 | 129.5 Ų | 129.5 | 84% | 0.843 | 76% | 0.756 | S | S | * | * | trans | -15.6 | 118.5 | 149.4 | -145.6 | 76.2 | 0 | 0 | 0 | 116.4 | ||||
| 131 | R | 33.5 | Very low | 37.5 | Very low | 248 Ų | 248 | 135 Ų | 135 | 94% | 0.936 | 77% | 0.774 | S | S | * | * | trans | -160.9 | 85.4 | 135.6 | -105.7 | -170.3 | -76.5 | -108.9 | 7.6 | 109.4 | G129 S133 | G129-R131 PolarHBondContact O-N 2.87Å; R131-S133 PolarHBondContact O-N 3.18Å | ||
| 132 | S | 33.6 | Very low | 37.8 | Very low | 114 Ų | 114 | 135 Ų | 135 | 80% | 0.797 | 77% | 0.77 | S | S | * | * | trans | -60 | 122.3 | 172.1 | -57.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 133 | S | 37.9 | Very low | 38.2 | Very low | 88 Ų | 88 | 135.6 Ų | 135.6 | 62% | 0.615 | 77% | 0.768 | S | S | * | * | trans | 171.2 | 123.9 | 134.7 | -177.4 | 0 | 0 | 0 | 0 | 109.9 | R131 | R131-S133 PolarHBondContact O-N 3.18Š| ||
| 134 | P | 43.1 | Very low | 37.7 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 67% | 0.669 | 77% | 0.768 | S | S | * | * | trans | -112.8 | 116.7 | 141.5 | 29.9 | -17.4 | 0 | 0 | 0 | 107.6 | F136 | P134-F136 VanDerWaalsContact O-CD1 3.27Å; P134-F136 WeakPolarHBondContact O-CD1 3.45Å; P134-F136 PolarHBondContact O-N 3.12Å | ||
| 135 | N | 41.3 | Very low | 38 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 78% | 0.777 | S | S | * | * | trans | -55.8 | 100.6 | 166.8 | -71.1 | -67.1 | 0 | 0 | 0 | 109 | ||||
| 136 | F | 49.8 | Very low | 38.4 | Very low | 160 Ų | 160 | 132.9 Ų | 132.9 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -111 | 123.5 | 166.4 | 60.6 | -99.8 | 0 | 0 | 0 | 108.7 | P134 V138 | P134-F136 VanDerWaalsContact O-CD1 3.27Å; P134-F136 WeakPolarHBondContact O-CD1 3.45Å; P134-F136 PolarHBondContact O-N 3.12Å; F136-V138 HydrophobicContact CD2-CG2 3.82Å; F136-V138 HydrophobicContact CE2-CG2 4.18Å | ||
| 137 | V | 46.3 | Very low | 38.4 | Very low | 127 Ų | 127 | 132.1 Ų | 132.1 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | trans | -96.8 | 107.2 | 168.3 | 177 | 0 | 0 | 0 | 0 | 106.2 | I139 | V137-I139 HydrophobicContact CG1-CD1 4.42Å; V137-I139 HydrophobicContact CG1-CG1 3.77Å; V137-I139 PolarHBondContact O-N 3.45Å | ||
| 138 | V | 43.8 | Very low | 38.5 | Very low | 106 Ų | 106 | 132 Ų | 132 | 64% | 0.642 | 78% | 0.776 | S | S | * | * | trans | -80.5 | 106.6 | 168.9 | 178.6 | 0 | 0 | 0 | 0 | 107.4 | F136 T140 | F136-V138 HydrophobicContact CD2-CG2 3.82Å; F136-V138 HydrophobicContact CE2-CG2 4.18Å; V138-T140 HydrophobicContact CG1-CG2 4.03Å; V138-T140 PolarHBondContact O-N 3.18Å | ||
| 139 | I | 39.1 | Very low | 38.6 | Very low | 136 Ų | 136 | 130.5 Ų | 130.5 | 70% | 0.697 | 77% | 0.77 | S | S | * | * | trans | -92.3 | 93.2 | 168.9 | -51.7 | 177.9 | 0 | 0 | 0 | 107.2 | V137 I141 | V137-I139 HydrophobicContact CG1-CD1 4.42Å; V137-I139 HydrophobicContact CG1-CG1 3.77Å; V137-I139 PolarHBondContact O-N 3.45Å; I139-I141 HydrophobicContact CG2-CG1 4.21Å; I139-I141 PolarHBondContact O-N 2.93Å | ||
| 140 | T | 38.6 | Very low | 38.5 | Very low | 111 Ų | 111 | 135.3 Ų | 135.3 | 68% | 0.681 | 77% | 0.772 | S | S | * | * | trans | -76.3 | 105.8 | 162.9 | 41.1 | 0 | 0 | 0 | 0 | 108.2 | V138 M142 | V138-T140 HydrophobicContact CG1-CG2 4.03Å; V138-T140 PolarHBondContact O-N 3.18Å; T140-M142 PolarHBondContact O-N 2.95Å; T140-M142 VanDerWaalsContact O-N 3.08Å | ||
| 141 | I | 42.1 | Very low | 38 | Very low | 158 Ų | 158 | 134.1 Ų | 134.1 | 81% | 0.81 | 77% | 0.767 | S | S | * | * | trans | -72.9 | 99.1 | 167.7 | -56 | 173.4 | 0 | 0 | 0 | 106.4 | I139 E143 | I139-I141 HydrophobicContact CG2-CG1 4.21Å; I139-I141 PolarHBondContact O-N 2.93Å; I141-E143 PolarHBondContact O-N 2.91Å | ||
| 142 | M | 42.2 | Very low | 37.9 | Very low | 167 Ų | 167 | 129.6 Ų | 129.6 | 82% | 0.823 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 117.8 | 164.4 | -86.8 | 170.8 | 60.2 | 0 | 0 | 108.1 | T140 | T140-M142 PolarHBondContact O-N 2.95Å; T140-M142 VanDerWaalsContact O-N 3.08Å |
| 143 | E | 45.9 | Very low | 37.5 | Very low | 179 Ų | 179 | 135.9 Ų | 135.9 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 121 | 165.9 | -170.1 | 154.8 | 101.4 | 0 | 0 | 108.3 | I141 | I141-E143 PolarHBondContact O-N 2.91Š|
| 144 | P | 37.8 | Very low | 37.1 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 141.2 | -179.4 | 26.9 | -30.1 | 0 | 0 | 0 | 110.8 | ||
| 145 | P | 37.5 | Very low | 36.2 | Very low | 115 Ų | 115 | 137.6 Ų | 137.6 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 154.9 | -172 | 30.1 | -33.3 | 0 | 0 | 0 | 112.4 | A147 | P145-A147 PolarHBondContact O-N 3.25Š|
| 146 | P | 39.6 | Very low | 35.7 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 84% | 0.844 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79 | 117.7 | 178.9 | 31.8 | -30.4 | 0 | 0 | 0 | 109.8 | ||
| 147 | A | 30.2 | Very low | 34.5 | Very low | 107 Ų | 107 | 132.7 Ų | 132.7 | 88% | 0.884 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 117.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | P145 | P145-A147 PolarHBondContact O-N 3.25Š|
| 148 | A | 32.3 | Very low | 33.5 | Very low | 96 Ų | 96 | 137.3 Ų | 137.3 | 79% | 0.793 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 147.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||
| 149 | A | 31 | Very low | 32.9 | Very low | 85 Ų | 85 | 139 Ų | 139 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | 105.1 | 139.4 | 140.6 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 150 | Q | 29.2 | Very low | 32.3 | Very low | 178 Ų | 178 | 139 Ų | 139 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 88.5 | 132.4 | 164.1 | -55.3 | 174.1 | 46.7 | 0 | 0 | 115.2 | ||||
| 151 | D | 23 | Very low | 32.2 | Very low | 137 Ų | 137 | 141.3 Ų | 141.3 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | cis | -164.3 | 165.1 | -5.2 | -129.8 | -36.4 | 0 | 0 | 0 | 107.9 | ||||
| 152 | L | 31.1 | Very low | 31.4 | Very low | 152 Ų | 152 | 141.8 Ų | 141.8 | 80% | 0.796 | 80% | 0.804 | S | S | * | * | trans | -48.6 | 141.9 | 178.6 | -79.8 | 66 | 0 | 0 | 0 | 114 | ||||
| 153 | R | 25.4 | Very low | 30.8 | Very low | 247 Ų | 247 | 138.4 Ų | 138.4 | 93% | 0.932 | 80% | 0.797 | S | S | * | * | -176.9 | 139.2 | 118.2 | -81.2 | -125.5 | 174.9 | 145.1 | 0.3 | 113.5 | |||||
| 154 | V | 29.3 | Very low | 30.1 | Very low | 152 Ų | 152 | 135.2 Ų | 135.2 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -51 | 142.2 | 171.6 | 172.3 | 0 | 0 | 0 | 0 | 113 | ||||
| 155 | G | 25.4 | Very low | 30.1 | Very low | 75 Ų | 75 | 135.4 Ų | 135.4 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | 168.6 | 103.2 | 165.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 156 | S | 29.5 | Very low | 30 | Very low | 113 Ų | 113 | 134.9 Ų | 134.9 | 79% | 0.79 | 80% | 0.798 | S | S | * | * | trans | -70.1 | 161.2 | 170.8 | -167.1 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 157 | C | 25.1 | Very low | 29.8 | Very low | 102 Ų | 102 | 135.4 Ų | 135.4 | 69% | 0.689 | 79% | 0.794 | S | S | * | * | trans | 91.5 | 106.5 | 154.6 | -68.6 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 158 | R | 25.8 | Very low | 30.2 | Very low | 224 Ų | 224 | 135.2 Ų | 135.2 | 85% | 0.845 | 79% | 0.786 | S | S | * | * | 71.9 | 137.2 | 121 | -68.9 | -170.5 | -168.7 | -151.9 | 2 | 122.1 | |||||
| 159 | L | 30.4 | Very low | 30.7 | Very low | 141 Ų | 141 | 137.7 Ų | 137.7 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 81.6 | 99.8 | 145 | -75.5 | 150.1 | 0 | 0 | 0 | 118.7 | ||||
| 160 | T | 27.6 | Very low | 31 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | -166 | 94.2 | 122.8 | 43.7 | 0 | 0 | 0 | 0 | 105.4 | |||||
| 161 | Q | 36.9 | Very low | 31.3 | Very low | 160 Ų | 160 | 131.6 Ų | 131.6 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 35.6 | 89.2 | 97.6 | -165.5 | 151.3 | -0.6 | 0 | 0 | 112.6 | |||||
| 162 | D | 24.7 | Very low | 32.4 | Very low | 168 Ų | 168 | 128 Ų | 128 | 90% | 0.898 | 75% | 0.749 | S | S | * | * | trans | -144.8 | 130.9 | 142 | -107.5 | -29.9 | 0 | 0 | 0 | 110.2 | ||||
| 163 | S | 29.2 | Very low | 33.2 | Very low | 96 Ų | 96 | 123.7 Ų | 123.7 | 67% | 0.671 | 73% | 0.732 | S | S | * | * | trans | -100.8 | 131.2 | -165.5 | -51.7 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 164 | S | 30.1 | Very low | 33.8 | Very low | 113 Ų | 113 | 118 Ų | 118 | 79% | 0.79 | 72% | 0.716 | S | S | * | * | trans | 174.1 | 139.4 | 130.9 | 55.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 165 | S | 37.9 | Very low | 34.7 | Very low | 117 Ų | 117 | 118.5 Ų | 118.5 | 82% | 0.818 | 70% | 0.701 | S | S | * | * | trans | 91.3 | 67.5 | 172.9 | 79.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 166 | S | 36.3 | Very low | 35.5 | Very low | 103 Ų | 103 | 122.4 Ų | 122.4 | 72% | 0.72 | 69% | 0.693 | S | S | * | * | trans | -107.6 | 34.1 | 173.4 | -54.8 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 167 | D | 35.9 | Very low | 36.5 | Very low | 141 Ų | 141 | 120.4 Ų | 120.4 | 75% | 0.754 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -110.1 | 0 | -171.4 | -63.9 | -31.8 | 0 | 0 | 0 | 115.4 | ||
| 168 | S | 38.8 | Very low | 38 | Very low | 104 Ų | 104 | 119.5 Ų | 119.5 | 73% | 0.727 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -106.3 | -15.8 | 179.3 | -68.7 | 0 | 0 | 0 | 0 | 115.6 | ||
| 169 | L | 43 | Very low | 39.4 | Very low | 148 Ų | 148 | 114.1 Ų | 114.1 | 78% | 0.775 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -95.2 | -22.1 | -175.5 | -60.6 | 173.9 | 0 | 0 | 0 | 113.2 | S173 | L169-S173 PolarHBondContact O-N 3.41Å; L169-S173 VanDerWaalsContact O-N 3.14Å; L169-S173 PolarHBondContact O-OG 2.95Å |
| 170 | A | 35.6 | Very low | 40.6 | Very low | 54 Ų | 54 | 110.7 Ų | 110.7 | 45% | 0.446 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.6 | -35.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | S173 Q174 | A170-S173 PolarHBondContact O-N 2.91Å; A170-S173 PolarHBondContact O-OG 2.57Å; A170-S173 VanDerWaalsContact O-OG 3.06Å; A170-Q174 WeakPolarHBondContact O-CB 3.38Å; A170-Q174 VanDerWaalsContact O-CG 3.23Å; A170-Q174 WeakPolarHBondContact O-CG 3.12Å; A170-Q174 PolarHBondContact O-N 3.08Å |
| 171 | S | 36.5 | Very low | 42 | Very low | 81 Ų | 81 | 107.8 Ų | 107.8 | 57% | 0.566 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -68.6 | -37.3 | 178.3 | -35.7 | 0 | 0 | 0 | 0 | 111.8 | R175 | S171-R175 VanDerWaalsContact O-CB 3.24Å; S171-R175 WeakPolarHBondContact O-CB 3.28Å; S171-R175 PolarHBondContact O-N 2.68Å; S171-R175 VanDerWaalsContact O-N 3.15Å |
| 172 | A | 45.8 | Very low | 43.2 | Very low | 61 Ų | 61 | 103.7 Ų | 103.7 | 50% | 0.504 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -72 | -40.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | W176 | A172-W176 WeakPolarHBondContact O-CB 3.24Å; A172-W176 PolarHBondContact O-N 3Å |
| 173 | S | 47.7 | Very low | 45.1 | Very low | 61 Ų | 61 | 98.3 Ų | 98.3 | 43% | 0.427 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.2 | -40.5 | 178.1 | 64.8 | 0 | 0 | 0 | 0 | 112.9 | L169 A170 W176 T177 | L169-S173 PolarHBondContact O-N 3.41Å; L169-S173 VanDerWaalsContact O-N 3.14Å; L169-S173 PolarHBondContact O-OG 2.95Å; A170-S173 PolarHBondContact O-N 2.91Å; A170-S173 PolarHBondContact O-OG 2.57Å; A170-S173 VanDerWaalsContact O-OG 3.06Å; S173-W176 PolarHBondContact O-N 2.78Å; S173-T177 WeakPolarHBondContact O-CG2 3.16Å; S173-T177 PolarHBondContact O-N 3.36Å; S173-T177 PolarHBondContact O-OG1 2.93Å |
| 174 | Q | 38 | Very low | 46.7 | Very low | 127 Ų | 127 | 97.8 Ų | 97.8 | 59% | 0.593 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -65.1 | -40.4 | 176.1 | -74.8 | -72.7 | -37.4 | 0 | 0 | 111.8 | A170 W176 T177 V178 | A170-Q174 WeakPolarHBondContact O-CB 3.38Å; A170-Q174 VanDerWaalsContact O-CG 3.23Å; A170-Q174 WeakPolarHBondContact O-CG 3.12Å; A170-Q174 PolarHBondContact O-N 3.08Å; Q174-W176 VanDerWaalsContact C-N 3.31Å; Q174-W176 PolarHBondContact O-N 3.35Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.44Å; Q174-T177 PolarHBondContact O-OG1 3.13Å; Q174-V178 WeakPolarHBondContact O-CB 3.18Å; Q174-V178 WeakPolarHBondContact O-CG2 3.37Å; Q174-V178 PolarHBondContact O-N 3.26Å |
| 175 | R | 48 | Very low | 48.5 | Very low | 164 Ų | 164 | 97.7 Ų | 97.7 | 62% | 0.619 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -66.9 | -34.1 | 175.9 | -168 | 167.6 | 174 | 173.9 | -6.3 | 111.7 | S171 W179 W248 | S171-R175 VanDerWaalsContact O-CB 3.24Å; S171-R175 WeakPolarHBondContact O-CB 3.28Å; S171-R175 PolarHBondContact O-N 2.68Å; S171-R175 VanDerWaalsContact O-N 3.15Å; R175-W179 WeakPolarHBondContact O-CB 3.3Å; R175-W179 PolarHBondContact O-N 3.2Å; R175-W248 VanDerWaalsContact NH2-CZ2 3.33Å |
| 176 | W | 41.8 | Very low | 50 | Low | 157 Ų | 157 | 93.6 Ų | 93.6 | 60% | 0.595 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75.9 | -36.9 | 178.6 | -149.6 | 67.7 | 0 | 0 | 0 | 113.2 | A172 S173 Q174 W179 T180 | A172-W176 WeakPolarHBondContact O-CB 3.24Å; A172-W176 PolarHBondContact O-N 3Å; S173-W176 PolarHBondContact O-N 2.78Å; Q174-W176 VanDerWaalsContact C-N 3.31Å; Q174-W176 PolarHBondContact O-N 3.35Å; W176-W179 PolarHBondContact O-N 2.82Å; W176-T180 PolarHBondContact O-N 3.42Å; W176-T180 PolarHBondContact O-OG1 3.45Å |
| 177 | T | 51.9 | Low | 51.8 | Low | 70 Ų | 70 | 92.3 Ų | 92.3 | 43% | 0.429 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.7 | -42.5 | 175 | 53 | 0 | 0 | 0 | 0 | 111.8 | S173 Q174 W179 T180 C181 | S173-T177 WeakPolarHBondContact O-CG2 3.16Å; S173-T177 PolarHBondContact O-N 3.36Å; S173-T177 PolarHBondContact O-OG1 2.93Å; Q174-T177 WeakPolarHBondContact CA-OG1 3.44Å; Q174-T177 PolarHBondContact O-OG1 3.13Å; T177-W179 VanDerWaalsContact C-N 3.28Å; T177-W179 PolarHBondContact O-N 3.03Å; T177-T180 PolarHBondContact O-N 3.37Å; T177-C181 WeakPolarHBondContact O-CB 3.28Å; T177-C181 PolarHBondContact O-N 3.14Å |
| 178 | V | 55.3 | Low | 53.6 | Low | 84 Ų | 84 | 88.3 Ų | 88.3 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.5 | -36.4 | 172.7 | 173.9 | 0 | 0 | 0 | 0 | 110.9 | Q174 T182 | Q174-V178 WeakPolarHBondContact O-CB 3.18Å; Q174-V178 WeakPolarHBondContact O-CG2 3.37Å; Q174-V178 PolarHBondContact O-N 3.26Å; V178-T182 HydrophobicContact CG1-CG2 4.31Å; V178-T182 WeakPolarHBondContact O-CB 3.33Å; V178-T182 VanDerWaalsContact O-CG2 3.3Å; V178-T182 WeakPolarHBondContact O-CG2 3.15Å; V178-T182 PolarHBondContact O-N 3.41Å; V178-T182 PolarHBondContact O-OG1 3.48Å |
| 179 | W | 55 | Low | 55.4 | Low | 111 Ų | 111 | 85.3 Ų | 85.3 | 42% | 0.42 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.1 | -39.4 | 176.9 | -161.8 | 50 | 0 | 0 | 0 | 113.3 | R175 W176 T177 T182 A183 Y245 | R175-W179 WeakPolarHBondContact O-CB 3.3Å; R175-W179 PolarHBondContact O-N 3.2Å; W176-W179 PolarHBondContact O-N 2.82Å; T177-W179 VanDerWaalsContact C-N 3.28Å; T177-W179 PolarHBondContact O-N 3.03Å; W179-T182 VanDerWaalsContact CA-OG1 3.3Å; W179-T182 WeakPolarHBondContact CA-OG1 3.37Å; W179-T182 PolarHBondContact O-N 3.42Å; W179-T182 PolarHBondContact O-OG1 3.24Å; W179-T182 VanDerWaalsContact O-OG1 3.13Å; W179-A183 WeakPolarHBondContact O-CB 3.21Å; W179-A183 PolarHBondContact O-N 2.89Å; W179-Y245 HydrophobicContact CH2-CE2 4.05Å; W179-Y245 HydrophobicContact CZ2-CD2 4.19Å; W179-Y245 AromaticContact CZ2-CE2 3.8Å; W179-Y245 HydrophobicContact CZ2-CE2 3.8Å |
| 180 | T | 57 | Low | 57 | Low | 68 Ų | 68 | 80.3 Ų | 80.3 | 42% | 0.417 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.9 | -41.2 | 175.6 | -48.4 | 0 | 0 | 0 | 0 | 110.5 | W176 T177 L184 | W176-T180 PolarHBondContact O-N 3.42Å; W176-T180 PolarHBondContact O-OG1 3.45Å; T177-T180 PolarHBondContact O-N 3.37Å; T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 PolarHBondContact O-N 2.81Å |
| 181 | C | 56 | Low | 59.2 | Low | 76 Ų | 76 | 84.2 Ų | 84.2 | 51% | 0.514 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -64.4 | -44.9 | 173.3 | -81.3 | 0 | 0 | 0 | 0 | 112.5 | T177 L184 M185 | T177-C181 WeakPolarHBondContact O-CB 3.28Å; T177-C181 PolarHBondContact O-N 3.14Å; C181-L184 PolarHBondContact O-N 2.97Å; C181-M185 VanDerWaalsContact O-CB 3.29Å; C181-M185 WeakPolarHBondContact O-CB 3.37Å; C181-M185 WeakPolarHBondContact O-CG 2.97Å; C181-M185 PolarHBondContact O-N 3.27Å |
| 182 | T | 62.6 | Low | 61.5 | Low | 74 Ų | 74 | 84.5 Ų | 84.5 | 45% | 0.454 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -69.2 | -37.9 | 179.7 | 45.8 | 0 | 0 | 0 | 0 | 112.2 | V178 W179 M185 C186 | V178-T182 HydrophobicContact CG1-CG2 4.31Å; V178-T182 WeakPolarHBondContact O-CB 3.33Å; V178-T182 VanDerWaalsContact O-CG2 3.3Å; V178-T182 WeakPolarHBondContact O-CG2 3.15Å; V178-T182 PolarHBondContact O-N 3.41Å; V178-T182 PolarHBondContact O-OG1 3.48Å; W179-T182 VanDerWaalsContact CA-OG1 3.3Å; W179-T182 WeakPolarHBondContact CA-OG1 3.37Å; W179-T182 PolarHBondContact O-N 3.42Å; W179-T182 PolarHBondContact O-OG1 3.24Å; W179-T182 VanDerWaalsContact O-OG1 3.13Å; T182-M185 PolarHBondContact O-N 2.98Å; T182-C186 WeakPolarHBondContact O-CB 2.94Å; T182-C186 PolarHBondContact O-N 3.35Å |
| 183 | A | 63.8 | Low | 63.3 | Low | 54 Ų | 54 | 85.5 Ų | 85.5 | 45% | 0.446 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -65.5 | -40.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | W179 C186 Q187 | W179-A183 WeakPolarHBondContact O-CB 3.21Å; W179-A183 PolarHBondContact O-N 2.89Å; A183-C186 WeakPolarHBondContact O-CB 3.18Å; A183-C186 PolarHBondContact O-N 3.04Å; A183-Q187 WeakPolarHBondContact O-CB 3.16Å; A183-Q187 PolarHBondContact O-N 3.31Å |
| 184 | L | 64.6 | Low | 65.1 | Low | 85 Ų | 85 | 87 Ų | 87 | 45% | 0.445 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.6 | -45.1 | 174.6 | -172.8 | 66.4 | 0 | 0 | 0 | 111.3 | T180 C181 C186 Q187 T188 | T180-L184 WeakPolarHBondContact O-CB 3.39Å; T180-L184 PolarHBondContact O-N 2.81Å; C181-L184 PolarHBondContact O-N 2.97Å; L184-C186 VanDerWaalsContact C-N 3.28Å; L184-C186 PolarHBondContact O-N 3.28Å; L184-Q187 PolarHBondContact O-N 2.93Å; L184-T188 WeakPolarHBondContact O-CG2 3.4Å; L184-T188 PolarHBondContact O-N 2.93Å; L184-T188 PolarHBondContact O-OG1 3.46Å; L184-T188 VanDerWaalsContact O-OG1 3.1Å |
| 185 | M | 66.2 | Low | 67.5 | Low | 111 Ų | 111 | 90.2 Ų | 90.2 | 55% | 0.547 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 175.4 | -71.2 | -55.8 | 98.5 | 0 | 0 | 112.4 | C181 T182 T188 S189 | C181-M185 VanDerWaalsContact O-CB 3.29Å; C181-M185 WeakPolarHBondContact O-CB 3.37Å; C181-M185 WeakPolarHBondContact O-CG 2.97Å; C181-M185 PolarHBondContact O-N 3.27Å; T182-M185 PolarHBondContact O-N 2.98Å; M185-T188 VanDerWaalsContact CA-OG1 3.28Å; M185-T188 WeakPolarHBondContact CA-OG1 3.38Å; M185-T188 PolarHBondContact O-OG1 2.9Å; M185-S189 WeakPolarHBondContact O-CB 3.38Å; M185-S189 PolarHBondContact O-N 3.34Å; M185-S189 PolarHBondContact O-OG 2.94Å |
| 186 | C | 70.1 | Confident | 69.3 | Low | 31 Ų | 31 | 86 Ų | 86 | 21% | 0.209 | 46% | 0.455 | C | S | . | . | H | α-helix | trans | -71.8 | -39.4 | 174.4 | -178.6 | 0 | 0 | 0 | 0 | 111.9 | T182 A183 L184 S189 A190 Q241 | T182-C186 WeakPolarHBondContact O-CB 2.94Å; T182-C186 PolarHBondContact O-N 3.35Å; A183-C186 WeakPolarHBondContact O-CB 3.18Å; A183-C186 PolarHBondContact O-N 3.04Å; L184-C186 VanDerWaalsContact C-N 3.28Å; L184-C186 PolarHBondContact O-N 3.28Å; C186-S189 WeakPolarHBondContact CA-OG 3.29Å; C186-S189 PolarHBondContact O-OG 2.81Å; C186-A190 VanDerWaalsContact O-CB 3.3Å; C186-A190 WeakPolarHBondContact O-CB 3.1Å; C186-A190 PolarHBondContact O-N 3.04Å; C186-Q241 PolarHBondContact SG-NE2 2.86Å; C186-Q241 PolarHBondContact SG-OE1 3.49Å; C186-Q241 VanDerWaalsContact SG-OE1 3.35Å |
| 187 | Q | 73.8 | Confident | 71.4 | Confident | 77 Ų | 77 | 80.4 Ų | 80.4 | 36% | 0.36 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -70.2 | -39.2 | 176.5 | -175.6 | 176.4 | -11.1 | 0 | 0 | 111.4 | A183 L184 R191 | A183-Q187 WeakPolarHBondContact O-CB 3.16Å; A183-Q187 PolarHBondContact O-N 3.31Å; L184-Q187 PolarHBondContact O-N 2.93Å; Q187-R191 WeakPolarHBondContact O-CG 3.25Å; Q187-R191 PolarHBondContact O-N 3.37Å; Q187-R191 VanDerWaalsContact O-N 3.13Å |
| 188 | T | 73.6 | Confident | 73 | Confident | 56 Ų | 56 | 79 Ų | 79 | 34% | 0.344 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 173.9 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | L184 M185 A190 R191 V192 | L184-T188 WeakPolarHBondContact O-CG2 3.4Å; L184-T188 PolarHBondContact O-N 2.93Å; L184-T188 PolarHBondContact O-OG1 3.46Å; L184-T188 VanDerWaalsContact O-OG1 3.1Å; M185-T188 VanDerWaalsContact CA-OG1 3.28Å; M185-T188 WeakPolarHBondContact CA-OG1 3.38Å; M185-T188 PolarHBondContact O-OG1 2.9Å; T188-A190 PolarHBondContact O-N 3.26Å; T188-R191 PolarHBondContact O-N 3.45Å; T188-V192 WeakPolarHBondContact O-CB 3.22Å; T188-V192 VanDerWaalsContact O-CG2 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.31Å; T188-V192 PolarHBondContact O-N 3.5Å |
| 189 | S | 76.2 | Confident | 74.4 | Confident | 41 Ų | 41 | 80.2 Ų | 80.2 | 29% | 0.287 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 176.5 | 72.4 | 0 | 0 | 0 | 0 | 111.6 | M185 C186 R191 V192 L193 | M185-S189 WeakPolarHBondContact O-CB 3.38Å; M185-S189 PolarHBondContact O-N 3.34Å; M185-S189 PolarHBondContact O-OG 2.94Å; C186-S189 WeakPolarHBondContact CA-OG 3.29Å; C186-S189 PolarHBondContact O-OG 2.81Å; S189-R191 PolarHBondContact O-N 2.84Å; S189-V192 PolarHBondContact O-N 2.95Å; S189-L193 VanDerWaalsContact O-CB 3.24Å; S189-L193 WeakPolarHBondContact O-CB 3.39Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.8Å |
| 190 | A | 78.6 | Confident | 75.8 | Confident | 44 Ų | 44 | 78.4 Ų | 78.4 | 36% | 0.364 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -60.7 | -44.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | C186 T188 L193 V194 | C186-A190 VanDerWaalsContact O-CB 3.3Å; C186-A190 WeakPolarHBondContact O-CB 3.1Å; C186-A190 PolarHBondContact O-N 3.04Å; T188-A190 PolarHBondContact O-N 3.26Å; A190-L193 PolarHBondContact O-N 3.13Å; A190-V194 VanDerWaalsContact O-CG2 3.27Å; A190-V194 WeakPolarHBondContact O-CG2 3.43Å; A190-V194 PolarHBondContact O-N 2.98Å |
| 191 | R | 81.5 | Confident | 77.2 | Confident | 136 Ų | 136 | 80.7 Ų | 80.7 | 51% | 0.513 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -62.7 | -47.8 | 175.4 | -75.6 | -178.3 | 177.9 | 177 | 0 | 111.9 | Q187 T188 S189 L193 V194 W195 | Q187-R191 WeakPolarHBondContact O-CG 3.25Å; Q187-R191 PolarHBondContact O-N 3.37Å; Q187-R191 VanDerWaalsContact O-N 3.13Å; T188-R191 PolarHBondContact O-N 3.45Å; S189-R191 PolarHBondContact O-N 2.84Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-L193 PolarHBondContact O-N 3.04Å; R191-V194 PolarHBondContact O-N 3.31Å; R191-W195 PolarHBondContact O-N 2.94Å |
| 192 | V | 84.6 | Confident | 78.5 | Confident | 87 Ų | 87 | 84.9 Ų | 84.9 | 53% | 0.527 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 178.6 | 171.3 | 0 | 0 | 0 | 0 | 110.8 | T188 S189 V194 W195 V196 | T188-V192 WeakPolarHBondContact O-CB 3.22Å; T188-V192 VanDerWaalsContact O-CG2 3.27Å; T188-V192 WeakPolarHBondContact O-CG2 3.31Å; T188-V192 PolarHBondContact O-N 3.5Å; S189-V192 PolarHBondContact O-N 2.95Å; V192-V194 VanDerWaalsContact C-N 3.33Å; V192-V194 PolarHBondContact O-N 3.42Å; V192-W195 WeakPolarHBondContact O-CB 3.35Å; V192-W195 PolarHBondContact O-N 3.35Å; V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 VanDerWaalsContact O-CG2 3.31Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.73Å |
| 193 | L | 82.7 | Confident | 79.6 | Confident | 82 Ų | 82 | 84.5 Ų | 84.5 | 43% | 0.429 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61.1 | -41.3 | 176 | -75.7 | 170.3 | 0 | 0 | 0 | 111.5 | S189 A190 R191 V196 L197 | S189-L193 VanDerWaalsContact O-CB 3.24Å; S189-L193 WeakPolarHBondContact O-CB 3.39Å; S189-L193 WeakPolarHBondContact O-CG 3.49Å; S189-L193 PolarHBondContact O-N 2.8Å; A190-L193 PolarHBondContact O-N 3.13Å; R191-L193 VanDerWaalsContact C-N 3.34Å; R191-L193 PolarHBondContact O-N 3.04Å; L193-V196 PolarHBondContact O-N 2.84Å; L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 2.9Å |
| 194 | V | 85.2 | Confident | 80.5 | Confident | 93 Ų | 93 | 82.6 Ų | 82.6 | 56% | 0.564 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -62.7 | -42.8 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | A190 R191 V192 L197 G198 | A190-V194 VanDerWaalsContact O-CG2 3.27Å; A190-V194 WeakPolarHBondContact O-CG2 3.43Å; A190-V194 PolarHBondContact O-N 2.98Å; R191-V194 PolarHBondContact O-N 3.31Å; V192-V194 VanDerWaalsContact C-N 3.33Å; V192-V194 PolarHBondContact O-N 3.42Å; V194-L197 PolarHBondContact O-N 2.73Å; V194-G198 PolarHBondContact O-N 2.76Å |
| 195 | W | 88.1 | Confident | 81.4 | Confident | 193 Ų | 193 | 81.5 Ų | 81.5 | 73% | 0.731 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -62.7 | -46.6 | 175 | -82.2 | 105.4 | 0 | 0 | 0 | 112.3 | R191 V192 G198 L199 | R191-W195 PolarHBondContact O-N 2.94Å; V192-W195 WeakPolarHBondContact O-CB 3.35Å; V192-W195 PolarHBondContact O-N 3.35Å; W195-G198 PolarHBondContact O-N 2.92Å; W195-L199 WeakPolarHBondContact O-CG 3.38Å; W195-L199 PolarHBondContact O-N 3.21Å |
| 196 | V | 87 | Confident | 82.4 | Confident | 75 Ų | 75 | 79.9 Ų | 79.9 | 46% | 0.455 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 177.5 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | V192 L193 G198 L199 L200 | V192-V196 HydrophobicContact CG1-CG2 4.21Å; V192-V196 VanDerWaalsContact O-CG2 3.31Å; V192-V196 WeakPolarHBondContact O-CG2 3.26Å; V192-V196 PolarHBondContact O-N 2.73Å; L193-V196 PolarHBondContact O-N 2.84Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.41Å; V196-L199 PolarHBondContact O-N 3.18Å; V196-L200 VanDerWaalsContact O-CB 3.22Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 2.86Å |
| 197 | L | 85.4 | Confident | 83.1 | Confident | 41 Ų | 41 | 84 Ų | 84 | 22% | 0.215 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 175.2 | -128.8 | 83.9 | 0 | 0 | 0 | 111.5 | L193 V194 L200 Y201 L231 I234 | L193-L197 WeakPolarHBondContact O-CB 3.47Å; L193-L197 PolarHBondContact O-N 2.9Å; V194-L197 PolarHBondContact O-N 2.73Å; L197-L200 PolarHBondContact O-N 3.16Å; L197-Y201 WeakPolarHBondContact O-CB 3.3Å; L197-Y201 PolarHBondContact O-N 3.2Å; L197-L231 HydrophobicContact CD2-CD2 3.79Å; L197-L231 HydrophobicContact CD2-CG 4.35Å; L197-I234 HydrophobicContact CD1-CD1 3.64Å; L197-I234 HydrophobicContact CD2-CD1 3.42Å; L197-I234 VanDerWaalsContact CD2-CD1 3.42Å; L197-I234 HydrophobicContact CG-CD1 4.08Å |
| 198 | G | 85.7 | Confident | 83.7 | Confident | 39 Ų | 39 | 80.3 Ų | 80.3 | 40% | 0.402 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | V194 W195 V196 Y201 F202 | V194-G198 PolarHBondContact O-N 2.76Å; W195-G198 PolarHBondContact O-N 2.92Å; V196-G198 VanDerWaalsContact C-N 3.34Å; V196-G198 PolarHBondContact O-N 3.41Å; G198-Y201 PolarHBondContact O-N 2.92Å; G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 2.89Å |
| 199 | L | 84.9 | Confident | 84.4 | Confident | 110 Ų | 110 | 84.1 Ų | 84.1 | 58% | 0.576 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.9 | -43.2 | 175.5 | -70.6 | 172.4 | 0 | 0 | 0 | 112.1 | W195 V196 F202 S203 | W195-L199 WeakPolarHBondContact O-CG 3.38Å; W195-L199 PolarHBondContact O-N 3.21Å; V196-L199 PolarHBondContact O-N 3.18Å; L199-F202 PolarHBondContact O-N 3.13Å; L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.47Å; L199-S203 PolarHBondContact O-OG 2.99Å |
| 200 | L | 84.9 | Confident | 85 | Confident | 73 Ų | 73 | 88.3 Ų | 88.3 | 38% | 0.382 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.7 | -42 | 177.8 | -165.6 | 147.1 | 0 | 0 | 0 | 110.3 | V196 L197 S203 S204 L226 | V196-L200 VanDerWaalsContact O-CB 3.22Å; V196-L200 WeakPolarHBondContact O-CB 3.5Å; V196-L200 PolarHBondContact O-N 2.86Å; L197-L200 PolarHBondContact O-N 3.16Å; L200-S203 PolarHBondContact O-N 2.91Å; L200-S204 WeakPolarHBondContact CD2-OG 3.3Å; L200-S204 WeakPolarHBondContact O-CA 3.43Å; L200-S204 WeakPolarHBondContact O-CB 3.47Å; L200-S204 PolarHBondContact O-N 3.04Å; L200-S204 PolarHBondContact O-OG 2.81Å; L200-L226 HydrophobicContact CD2-CD2 4.01Å |
| 201 | Y | 84.9 | Confident | 85.4 | Confident | 117 Ų | 117 | 88 Ų | 88 | 46% | 0.459 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -59.6 | -49.2 | 173.5 | 176.1 | -102.6 | 0 | 0 | 0 | 112.1 | L197 G198 S203 S204 L205 V227 | L197-Y201 WeakPolarHBondContact O-CB 3.3Å; L197-Y201 PolarHBondContact O-N 3.2Å; G198-Y201 PolarHBondContact O-N 2.92Å; Y201-S203 PolarHBondContact O-N 3.28Å; Y201-S204 PolarHBondContact O-N 3.2Å; Y201-L205 HydrophobicContact CD1-CD1 4.18Å; Y201-L205 HydrophobicContact CD2-CD1 3.99Å; Y201-L205 HydrophobicContact CD2-CD2 4.5Å; Y201-L205 HydrophobicContact CD2-CG 3.99Å; Y201-L205 HydrophobicContact CE1-CD1 3.59Å; Y201-L205 HydrophobicContact CE2-CD1 3.37Å; Y201-L205 HydrophobicContact CE2-CD2 4.08Å; Y201-L205 HydrophobicContact CE2-CG 3.76Å; Y201-L205 HydrophobicContact CG-CD1 4.37Å; Y201-L205 HydrophobicContact CG-CG 4.49Å; Y201-L205 WeakPolarHBondContact O-CG 3.25Å; Y201-L205 PolarHBondContact O-N 3.24Å; Y201-L205 VanDerWaalsContact O-N 3.07Å; Y201-L205 WeakPolarHBondContact OH-CD1 3.38Å; Y201-V227 HydrophobicContact CD2-CB 4.37Å; Y201-V227 HydrophobicContact CD2-CG1 3.57Å; Y201-V227 HydrophobicContact CD2-CG2 3.84Å; Y201-V227 HydrophobicContact CE2-CG1 3.73Å; Y201-V227 HydrophobicContact CE2-CG2 4.39Å |
| 202 | F | 85.3 | Confident | 85.6 | Confident | 163 Ų | 163 | 84.7 Ų | 84.7 | 72% | 0.715 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.2 | -30.2 | 178.2 | -171.6 | -99.4 | 0 | 0 | 0 | 112.4 | G198 L199 P206 | G198-F202 WeakPolarHBondContact O-CB 3.43Å; G198-F202 PolarHBondContact O-N 2.89Å; L199-F202 PolarHBondContact O-N 3.13Å; F202-P206 WeakPolarHBondContact O-CD 3.08Å; F202-P206 WeakPolarHBondContact O-CG 3.19Å |
| 203 | S | 84 | Confident | 85.8 | Confident | 67 Ų | 67 | 85.9 Ų | 85.9 | 47% | 0.469 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -88.1 | -37.6 | 179.9 | -52.6 | 0 | 0 | 0 | 0 | 112.9 | L199 L200 Y201 M207 | L199-S203 WeakPolarHBondContact O-CB 3.35Å; L199-S203 PolarHBondContact O-N 3.47Å; L199-S203 PolarHBondContact O-OG 2.99Å; L200-S203 PolarHBondContact O-N 2.91Å; Y201-S203 PolarHBondContact O-N 3.28Å; S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.43Å; S203-M207 PolarHBondContact O-N 3.13Å |
| 204 | S | 84.4 | Confident | 86.1 | Confident | 14 Ų | 14 | 87.5 Ų | 87.5 | 10% | 0.098 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -80.9 | -29.1 | -174 | -65.8 | 0 | 0 | 0 | 0 | 113.4 | L200 Y201 G208 | L200-S204 WeakPolarHBondContact CD2-OG 3.3Å; L200-S204 WeakPolarHBondContact O-CA 3.43Å; L200-S204 WeakPolarHBondContact O-CB 3.47Å; L200-S204 PolarHBondContact O-N 3.04Å; L200-S204 PolarHBondContact O-OG 2.81Å; Y201-S204 PolarHBondContact O-N 3.2Å; S204-G208 WeakPolarHBondContact O-CA 3.21Å; S204-G208 PolarHBondContact O-N 3.39Å |
| 205 | L | 83.1 | Confident | 86.1 | Confident | 62 Ų | 62 | 91.4 Ų | 91.4 | 33% | 0.325 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -53.7 | 173.9 | -75.3 | -172.3 | 0 | 0 | 0 | 113.6 | Y201 G208 F209 | Y201-L205 HydrophobicContact CD1-CD1 4.18Å; Y201-L205 HydrophobicContact CD2-CD1 3.99Å; Y201-L205 HydrophobicContact CD2-CD2 4.5Å; Y201-L205 HydrophobicContact CD2-CG 3.99Å; Y201-L205 HydrophobicContact CE1-CD1 3.59Å; Y201-L205 HydrophobicContact CE2-CD1 3.37Å; Y201-L205 HydrophobicContact CE2-CD2 4.08Å; Y201-L205 HydrophobicContact CE2-CG 3.76Å; Y201-L205 HydrophobicContact CG-CD1 4.37Å; Y201-L205 HydrophobicContact CG-CG 4.49Å; Y201-L205 WeakPolarHBondContact O-CG 3.25Å; Y201-L205 PolarHBondContact O-N 3.24Å; Y201-L205 VanDerWaalsContact O-N 3.07Å; Y201-L205 WeakPolarHBondContact OH-CD1 3.38Å; L205-G208 PolarHBondContact O-N 3.27Å; L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.47Å |
| 206 | P | 86.9 | Confident | 86 | Confident | 77 Ų | 77 | 90.2 Ų | 90.2 | 50% | 0.5 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 178.6 | 22.8 | -31.1 | 0 | 0 | 0 | 111.6 | F202 Y210 | F202-P206 WeakPolarHBondContact O-CD 3.08Å; F202-P206 WeakPolarHBondContact O-CG 3.19Å; P206-Y210 WeakPolarHBondContact O-CB 3.29Å; P206-Y210 PolarHBondContact O-N 2.98Å |
| 207 | M | 85.1 | Confident | 85.9 | Confident | 117 Ų | 117 | 90.4 Ų | 90.4 | 58% | 0.576 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -67.1 | -41.2 | 175.1 | -80.4 | -64.7 | -158.3 | 0 | 0 | 112.9 | S203 Y210 L211 | S203-M207 WeakPolarHBondContact O-CB 3.4Å; S203-M207 WeakPolarHBondContact O-CG 3.43Å; S203-M207 PolarHBondContact O-N 3.13Å; M207-Y210 PolarHBondContact O-N 3.39Å; M207-L211 WeakPolarHBondContact O-CB 3.27Å; M207-L211 VanDerWaalsContact O-CG 3.24Å; M207-L211 WeakPolarHBondContact O-CG 3.24Å; M207-L211 PolarHBondContact O-N 3.26Å |
| 208 | G | 85.8 | Confident | 86 | Confident | 0 Ų | 0 | 93.3 Ų | 93.3 | 0% | 0 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -63.2 | -47.9 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | S204 L205 L211 L212 | S204-G208 WeakPolarHBondContact O-CA 3.21Å; S204-G208 PolarHBondContact O-N 3.39Å; L205-G208 PolarHBondContact O-N 3.27Å; G208-L211 PolarHBondContact O-N 2.91Å; G208-L212 WeakPolarHBondContact O-CG 3.24Å; G208-L212 PolarHBondContact O-N 2.96Å |
| 209 | F | 87.4 | Confident | 86.1 | Confident | 135 Ų | 135 | 94.3 Ų | 94.3 | 59% | 0.592 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -63.5 | -41.7 | 175.4 | -173.5 | -106.2 | 0 | 0 | 0 | 112.4 | L205 L211 L212 I213 | L205-F209 WeakPolarHBondContact O-CB 3.36Å; L205-F209 PolarHBondContact O-N 3.47Å; F209-L211 VanDerWaalsContact C-N 3.33Å; F209-L211 PolarHBondContact O-N 3.47Å; F209-L212 WeakPolarHBondContact O-CB 3.3Å; F209-L212 PolarHBondContact O-N 2.86Å; F209-I213 HydrophobicContact CD1-CD1 3.63Å; F209-I213 HydrophobicContact CE1-CD1 3.32Å; F209-I213 HydrophobicContact CE1-CG1 4.27Å; F209-I213 HydrophobicContact CG-CD1 4.47Å; F209-I213 HydrophobicContact CZ-CD1 3.91Å; F209-I213 HydrophobicContact CZ-CG1 4.47Å; F209-I213 WeakPolarHBondContact O-CG1 3.39Å; F209-I213 PolarHBondContact O-N 3.17Å |
| 210 | Y | 88.9 | Confident | 86.1 | Confident | 129 Ų | 129 | 89.1 Ų | 89.1 | 51% | 0.506 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -60.1 | -41 | 175.1 | -179.8 | -98.7 | 0 | 0 | 0 | 112.4 | P206 M207 I213 M214 | P206-Y210 WeakPolarHBondContact O-CB 3.29Å; P206-Y210 PolarHBondContact O-N 2.98Å; M207-Y210 PolarHBondContact O-N 3.39Å; Y210-I213 WeakPolarHBondContact O-CB 3.15Å; Y210-I213 PolarHBondContact O-N 3.47Å; Y210-M214 HydrophobicContact CD1-CG 4.41Å; Y210-M214 HydrophobicContact CE1-CG 3.99Å; Y210-M214 HydrophobicContact CE2-CG 4.47Å; Y210-M214 WeakPolarHBondContact O-CG 3.5Å; Y210-M214 PolarHBondContact O-N 3.16Å |
| 211 | L | 87.6 | Confident | 86.3 | Confident | 38 Ų | 38 | 89.4 Ų | 89.4 | 20% | 0.199 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -72.2 | -30.1 | 177.3 | -70.9 | 170.8 | 0 | 0 | 0 | 113.2 | M207 G208 F209 I213 M214 Q215 R216 V219 L223 | M207-L211 WeakPolarHBondContact O-CB 3.27Å; M207-L211 VanDerWaalsContact O-CG 3.24Å; M207-L211 WeakPolarHBondContact O-CG 3.24Å; M207-L211 PolarHBondContact O-N 3.26Å; G208-L211 PolarHBondContact O-N 2.91Å; F209-L211 VanDerWaalsContact C-N 3.33Å; F209-L211 PolarHBondContact O-N 3.47Å; L211-I213 VanDerWaalsContact C-N 3.33Å; L211-M214 CarbonylContact O-C 3.59Å; L211-M214 PolarHBondContact O-N 3.03Å; L211-Q215 PolarHBondContact O-N 2.95Å; L211-R216 CarbonylContact O-C 3.56Å; L211-R216 PolarHBondContact O-N 3.3Å; L211-R216 VanDerWaalsContact O-N 3.08Å; L211-V219 HydrophobicContact CD1-CB 4.4Å; L211-V219 HydrophobicContact CD1-CG1 3.85Å; L211-L223 HydrophobicContact CD1-CD1 3.72Å |
| 212 | L | 86 | Confident | 86.3 | Confident | 66 Ų | 66 | 89.8 Ų | 89.8 | 35% | 0.346 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -64 | -40.1 | 169.6 | -70.3 | 174.1 | 0 | 0 | 0 | 111.3 | G208 F209 Q215 V221 V224 | G208-L212 WeakPolarHBondContact O-CG 3.24Å; G208-L212 PolarHBondContact O-N 2.96Å; F209-L212 WeakPolarHBondContact O-CB 3.3Å; F209-L212 PolarHBondContact O-N 2.86Å; L212-Q215 PolarHBondContact O-N 3.3Å; L212-V221 HydrophobicContact CD2-CG2 4.15Å; L212-V224 HydrophobicContact CD1-CG2 4.41Å |
| 213 | I | 88.6 | Confident | 86.3 | Confident | 113 Ų | 113 | 84 Ų | 84 | 58% | 0.579 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -66.3 | -41.1 | 174.8 | -68.1 | 165.4 | 0 | 0 | 0 | 111 | F209 Y210 L211 Q215 | F209-I213 HydrophobicContact CD1-CD1 3.63Å; F209-I213 HydrophobicContact CE1-CD1 3.32Å; F209-I213 HydrophobicContact CE1-CG1 4.27Å; F209-I213 HydrophobicContact CG-CD1 4.47Å; F209-I213 HydrophobicContact CZ-CD1 3.91Å; F209-I213 HydrophobicContact CZ-CG1 4.47Å; F209-I213 WeakPolarHBondContact O-CG1 3.39Å; F209-I213 PolarHBondContact O-N 3.17Å; Y210-I213 WeakPolarHBondContact O-CB 3.15Å; Y210-I213 PolarHBondContact O-N 3.47Å; L211-I213 VanDerWaalsContact C-N 3.33Å; I213-Q215 PolarHBondContact O-N 2.89Å; I213-Q215 VanDerWaalsContact O-N 3.07Å |
| 214 | M | 89.2 | Confident | 86.3 | Confident | 115 Ų | 115 | 83.8 Ų | 83.8 | 57% | 0.567 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 23.1 | 179.4 | -70.9 | -72 | -90.1 | 0 | 0 | 114 | Y210 L211 R216 | Y210-M214 HydrophobicContact CD1-CG 4.41Å; Y210-M214 HydrophobicContact CE1-CG 3.99Å; Y210-M214 HydrophobicContact CE2-CG 4.47Å; Y210-M214 WeakPolarHBondContact O-CG 3.5Å; Y210-M214 PolarHBondContact O-N 3.16Å; L211-M214 CarbonylContact O-C 3.59Å; L211-M214 PolarHBondContact O-N 3.03Å; M214-R216 PolarHBondContact O-N 3.42Å |
| 215 | Q | 86.1 | Confident | 86.3 | Confident | 175 Ų | 175 | 85.9 Ų | 85.9 | 82% | 0.818 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.9 | 11.9 | 173 | -136.7 | 170.7 | 11 | 0 | 0 | 115.4 | L211 L212 I213 T217 | L211-Q215 PolarHBondContact O-N 2.95Å; L212-Q215 PolarHBondContact O-N 3.3Å; I213-Q215 PolarHBondContact O-N 2.89Å; I213-Q215 VanDerWaalsContact O-N 3.07Å; Q215-T217 PolarHBondContact O-N 3.05Å |
| 216 | R | 85.6 | Confident | 86.3 | Confident | 168 Ų | 168 | 86.8 Ų | 86.8 | 63% | 0.634 | 45% | 0.445 | S | S | * | . | trans | -94.3 | 65.9 | 170.2 | -82.2 | -158.5 | 176.4 | 173.8 | 1.1 | 110.6 | L211 M214 T218 V219 G220 | L211-R216 CarbonylContact O-C 3.56Å; L211-R216 PolarHBondContact O-N 3.3Å; L211-R216 VanDerWaalsContact O-N 3.08Å; M214-R216 PolarHBondContact O-N 3.42Å; R216-T218 VanDerWaalsContact C-N 3.31Å; R216-T218 PolarHBondContact O-N 3.07Å; R216-V219 PolarHBondContact O-N 3.46Å; R216-G220 PolarHBondContact O-N 3.06Å; R216-G220 VanDerWaalsContact O-N 3.13Å | ||
| 217 | T | 84.2 | Confident | 86 | Confident | 80 Ų | 80 | 84.1 Ų | 84.1 | 49% | 0.491 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -60.9 | -35.2 | -173.2 | 54.6 | 0 | 0 | 0 | 0 | 113.6 | Q215 G220 V221 | Q215-T217 PolarHBondContact O-N 3.05Å; T217-G220 PolarHBondContact O-N 3.44Å; T217-V221 WeakPolarHBondContact O-CB 3.43Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 3.27Å |
| 218 | T | 87.3 | Confident | 86 | Confident | 101 Ų | 101 | 82 Ų | 82 | 62% | 0.62 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.1 | -47.8 | -179.5 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | R216 L222 | R216-T218 VanDerWaalsContact C-N 3.31Å; R216-T218 PolarHBondContact O-N 3.07Å; T218-L222 VanDerWaalsContact O-CG 3.27Å; T218-L222 WeakPolarHBondContact O-CG 3.29Å; T218-L222 PolarHBondContact O-N 2.78Å; T218-L222 VanDerWaalsContact O-N 3.11Å |
| 219 | V | 87.1 | Confident | 86 | Confident | 61 Ų | 61 | 84.4 Ų | 84.4 | 37% | 0.37 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -71.6 | -38 | 179.2 | -173 | 0 | 0 | 0 | 0 | 110.9 | L211 R216 L222 L223 | L211-V219 HydrophobicContact CD1-CB 4.4Å; L211-V219 HydrophobicContact CD1-CG1 3.85Å; R216-V219 PolarHBondContact O-N 3.46Å; V219-L222 PolarHBondContact O-N 3.27Å; V219-L223 HydrophobicContact CG1-CD1 4.23Å; V219-L223 WeakPolarHBondContact O-CG 3.49Å; V219-L223 PolarHBondContact O-N 3.44Å |
| 220 | G | 86.9 | Confident | 85.9 | Confident | 0 Ų | 0 | 79.1 Ų | 79.1 | 0% | 0 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -60.5 | -48.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | R216 T217 L222 L223 V224 | R216-G220 PolarHBondContact O-N 3.06Å; R216-G220 VanDerWaalsContact O-N 3.13Å; T217-G220 PolarHBondContact O-N 3.44Å; G220-L222 PolarHBondContact O-N 2.91Å; G220-L223 PolarHBondContact O-N 3.36Å; G220-V224 VanDerWaalsContact O-CG2 3.3Å; G220-V224 WeakPolarHBondContact O-CG2 3.46Å; G220-V224 PolarHBondContact O-N 3.03Å |
| 221 | V | 87.2 | Confident | 85.5 | Confident | 79 Ų | 79 | 77.2 Ų | 77.2 | 48% | 0.479 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 178.2 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | L212 T217 V224 S225 | L212-V221 HydrophobicContact CD2-CG2 4.15Å; T217-V221 WeakPolarHBondContact O-CB 3.43Å; T217-V221 WeakPolarHBondContact O-CG2 3.43Å; T217-V221 PolarHBondContact O-N 3.27Å; V221-V224 PolarHBondContact O-N 3.47Å; V221-S225 VanDerWaalsContact O-CB 3.26Å; V221-S225 WeakPolarHBondContact O-CB 3.46Å; V221-S225 PolarHBondContact O-N 2.9Å; V221-S225 PolarHBondContact O-OG 3.4Å |
| 222 | L | 86.8 | Confident | 85.5 | Confident | 125 Ų | 125 | 79.1 Ų | 79.1 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -62 | -44.4 | 175.7 | -73.8 | 172.6 | 0 | 0 | 0 | 112.2 | T218 V219 G220 S225 L226 | T218-L222 VanDerWaalsContact O-CG 3.27Å; T218-L222 WeakPolarHBondContact O-CG 3.29Å; T218-L222 PolarHBondContact O-N 2.78Å; T218-L222 VanDerWaalsContact O-N 3.11Å; V219-L222 PolarHBondContact O-N 3.27Å; G220-L222 PolarHBondContact O-N 2.91Å; L222-S225 PolarHBondContact O-N 3.49Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 PolarHBondContact O-N 3.37Å |
| 223 | L | 83.4 | Confident | 85.5 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 22% | 0.22 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -66.6 | -37.3 | 178.3 | -74.1 | 170.1 | 0 | 0 | 0 | 112.6 | L211 V219 G220 | L211-L223 HydrophobicContact CD1-CD1 3.72Å; V219-L223 HydrophobicContact CG1-CD1 4.23Å; V219-L223 WeakPolarHBondContact O-CG 3.49Å; V219-L223 PolarHBondContact O-N 3.44Å; G220-L223 PolarHBondContact O-N 3.36Å |
| 224 | V | 84.6 | Confident | 85.2 | Confident | 62 Ų | 62 | 79 Ų | 79 | 38% | 0.376 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -69.3 | -38.1 | 175.3 | 173.6 | 0 | 0 | 0 | 0 | 111.2 | L212 G220 V221 P228 | L212-V224 HydrophobicContact CD1-CG2 4.41Å; G220-V224 VanDerWaalsContact O-CG2 3.3Å; G220-V224 WeakPolarHBondContact O-CG2 3.46Å; G220-V224 PolarHBondContact O-N 3.03Å; V221-V224 PolarHBondContact O-N 3.47Å; V224-P228 VanDerWaalsContact O-CD 3.27Å; V224-P228 WeakPolarHBondContact O-CD 3.31Å |
| 225 | S | 84.6 | Confident | 85 | Confident | 58 Ų | 58 | 79.7 Ų | 79.7 | 41% | 0.406 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -78.5 | -20.8 | -179.3 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | V221 L222 V227 P228 A229 | V221-S225 VanDerWaalsContact O-CB 3.26Å; V221-S225 WeakPolarHBondContact O-CB 3.46Å; V221-S225 PolarHBondContact O-N 2.9Å; V221-S225 PolarHBondContact O-OG 3.4Å; L222-S225 PolarHBondContact O-N 3.49Å; S225-V227 PolarHBondContact O-N 3Å; S225-P228 VanDerWaalsContact O-CD 3.24Å; S225-P228 WeakPolarHBondContact O-CD 3.22Å; S225-P228 VanDerWaalsContact O-CG 3.31Å; S225-P228 WeakPolarHBondContact O-CG 3.32Å; S225-A229 WeakPolarHBondContact O-CB 3.37Å; S225-A229 PolarHBondContact O-N 3.13Å |
| 226 | L | 83.6 | Confident | 85.1 | Confident | 81 Ų | 81 | 75.8 Ų | 75.8 | 42% | 0.424 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -61 | -32.2 | 175.3 | -172.5 | 65.5 | 0 | 0 | 0 | 111.7 | L200 L222 S230 | L200-L226 HydrophobicContact CD2-CD2 4.01Å; L222-L226 WeakPolarHBondContact O-CB 3.5Å; L222-L226 PolarHBondContact O-N 3.37Å; L226-S230 VanDerWaalsContact O-CB 3.27Å; L226-S230 WeakPolarHBondContact O-CB 3.22Å; L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 3.29Å |
| 227 | V | 80.9 | Confident | 84.9 | Confident | 21 Ų | 21 | 73.3 Ų | 73.3 | 13% | 0.127 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62 | -60.9 | 179.8 | 177.4 | 0 | 0 | 0 | 0 | 112 | Y201 S225 A229 S230 L231 | Y201-V227 HydrophobicContact CD2-CB 4.37Å; Y201-V227 HydrophobicContact CD2-CG1 3.57Å; Y201-V227 HydrophobicContact CD2-CG2 3.84Å; Y201-V227 HydrophobicContact CE2-CG1 3.73Å; Y201-V227 HydrophobicContact CE2-CG2 4.39Å; S225-V227 PolarHBondContact O-N 3Å; V227-A229 VanDerWaalsContact C-N 3.28Å; V227-A229 PolarHBondContact O-N 3.18Å; V227-S230 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-OG 3.16Å; V227-L231 HydrophobicContact CG1-CD1 4.49Å; V227-L231 PolarHBondContact O-N 2.83Å; V227-L231 VanDerWaalsContact O-N 3.14Å |
| 228 | P | 83.6 | Confident | 85 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 47% | 0.474 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.4 | -34.7 | 178.3 | 22.4 | -32.2 | 0 | 0 | 0 | 112.4 | V224 S225 L231 V232 | V224-P228 VanDerWaalsContact O-CD 3.27Å; V224-P228 WeakPolarHBondContact O-CD 3.31Å; S225-P228 VanDerWaalsContact O-CD 3.24Å; S225-P228 WeakPolarHBondContact O-CD 3.22Å; S225-P228 VanDerWaalsContact O-CG 3.31Å; S225-P228 WeakPolarHBondContact O-CG 3.32Å; P228-L231 PolarHBondContact O-N 3.35Å; P228-V232 VanDerWaalsContact O-CG2 3.26Å; P228-V232 WeakPolarHBondContact O-CG2 3.39Å; P228-V232 PolarHBondContact O-N 3.15Å |
| 229 | A | 85.4 | Confident | 84.6 | Confident | 51 Ų | 51 | 72.8 Ų | 72.8 | 42% | 0.421 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.8 | -44.7 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | S225 V227 L231 V232 L233 | S225-A229 WeakPolarHBondContact O-CB 3.37Å; S225-A229 PolarHBondContact O-N 3.13Å; V227-A229 VanDerWaalsContact C-N 3.28Å; V227-A229 PolarHBondContact O-N 3.18Å; A229-L231 PolarHBondContact O-N 3.14Å; A229-V232 PolarHBondContact O-N 3.23Å; A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.06Å |
| 230 | S | 85.3 | Confident | 84.2 | Confident | 24 Ų | 24 | 72.9 Ų | 72.9 | 17% | 0.168 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -65.3 | -37.9 | 178.9 | 71.9 | 0 | 0 | 0 | 0 | 112.8 | L226 V227 L233 I234 | L226-S230 VanDerWaalsContact O-CB 3.27Å; L226-S230 WeakPolarHBondContact O-CB 3.22Å; L226-S230 PolarHBondContact O-N 3.43Å; L226-S230 PolarHBondContact O-OG 3.29Å; V227-S230 PolarHBondContact O-N 3.09Å; V227-S230 PolarHBondContact O-OG 3.16Å; S230-L233 PolarHBondContact O-N 3.47Å; S230-I234 WeakPolarHBondContact O-CG1 3.46Å; S230-I234 PolarHBondContact O-N 3.15Å; S230-I234 VanDerWaalsContact O-N 3.12Å |
| 231 | L | 82.3 | Confident | 83.9 | Confident | 89 Ų | 89 | 76 Ų | 76 | 47% | 0.466 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -65.8 | -43.5 | 174.6 | -71.9 | 174 | 0 | 0 | 0 | 111.9 | L197 V227 P228 A229 L233 I234 L235 | L197-L231 HydrophobicContact CD2-CD2 3.79Å; L197-L231 HydrophobicContact CD2-CG 4.35Å; V227-L231 HydrophobicContact CG1-CD1 4.49Å; V227-L231 PolarHBondContact O-N 2.83Å; V227-L231 VanDerWaalsContact O-N 3.14Å; P228-L231 PolarHBondContact O-N 3.35Å; A229-L231 PolarHBondContact O-N 3.14Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.97Å; L231-I234 PolarHBondContact O-N 3.38Å; L231-L235 WeakPolarHBondContact O-CG 3.42Å; L231-L235 PolarHBondContact O-N 2.99Å |
| 232 | V | 87.4 | Confident | 83.3 | Confident | 78 Ų | 78 | 76.2 Ų | 76.2 | 47% | 0.473 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.3 | -42.9 | 176.6 | 169.9 | 0 | 0 | 0 | 0 | 111 | P228 A229 I234 L235 I236 | P228-V232 VanDerWaalsContact O-CG2 3.26Å; P228-V232 WeakPolarHBondContact O-CG2 3.39Å; P228-V232 PolarHBondContact O-N 3.15Å; A229-V232 PolarHBondContact O-N 3.23Å; V232-I234 VanDerWaalsContact C-N 3.34Å; V232-I234 PolarHBondContact O-N 3.05Å; V232-L235 PolarHBondContact O-N 3.25Å; V232-I236 HydrophobicContact CG1-CD1 3.7Å; V232-I236 HydrophobicContact CG1-CG1 4.38Å; V232-I236 VanDerWaalsContact O-CG1 3.28Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 3.31Å |
| 233 | L | 84.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 73.3 Ų | 73.3 | 62% | 0.623 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | 176.5 | -72.4 | 174.2 | 0 | 0 | 0 | 112.6 | A229 S230 L231 I236 Y237 | A229-L233 WeakPolarHBondContact O-CG 3.4Å; A229-L233 PolarHBondContact O-N 3.06Å; S230-L233 PolarHBondContact O-N 3.47Å; L231-L233 VanDerWaalsContact C-N 3.34Å; L231-L233 PolarHBondContact O-N 2.97Å; L233-I236 PolarHBondContact O-N 3.49Å; L233-Y237 VanDerWaalsContact O-CB 3.26Å; L233-Y237 WeakPolarHBondContact O-CB 3.24Å; L233-Y237 PolarHBondContact O-N 2.91Å |
| 234 | I | 83.4 | Confident | 82.5 | Confident | 58 Ų | 58 | 75.4 Ų | 75.4 | 30% | 0.297 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -66.3 | -43 | 176.4 | -70.2 | 164 | 0 | 0 | 0 | 111.4 | L197 S230 L231 V232 Y237 G238 | L197-I234 HydrophobicContact CD1-CD1 3.64Å; L197-I234 HydrophobicContact CD2-CD1 3.42Å; L197-I234 VanDerWaalsContact CD2-CD1 3.42Å; L197-I234 HydrophobicContact CG-CD1 4.08Å; S230-I234 WeakPolarHBondContact O-CG1 3.46Å; S230-I234 PolarHBondContact O-N 3.15Å; S230-I234 VanDerWaalsContact O-N 3.12Å; L231-I234 PolarHBondContact O-N 3.38Å; V232-I234 VanDerWaalsContact C-N 3.34Å; V232-I234 PolarHBondContact O-N 3.05Å; I234-Y237 PolarHBondContact O-N 3.4Å; I234-G238 PolarHBondContact O-N 2.77Å |
| 235 | L | 84.5 | Confident | 81.6 | Confident | 128 Ų | 128 | 76.8 Ų | 76.8 | 67% | 0.67 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 177.3 | -70.1 | 174.4 | 0 | 0 | 0 | 111.6 | L231 V232 G238 F239 | L231-L235 WeakPolarHBondContact O-CG 3.42Å; L231-L235 PolarHBondContact O-N 2.99Å; V232-L235 PolarHBondContact O-N 3.25Å; L235-G238 PolarHBondContact O-N 2.96Å; L235-F239 WeakPolarHBondContact O-CB 3.26Å; L235-F239 PolarHBondContact O-N 3.4Å |
| 236 | I | 87.3 | Confident | 81 | Confident | 93 Ų | 93 | 79.6 Ų | 79.6 | 48% | 0.477 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -62 | -46.9 | 175.5 | -68.1 | 167.5 | 0 | 0 | 0 | 110.3 | V232 L233 G238 F239 C240 | V232-I236 HydrophobicContact CG1-CD1 3.7Å; V232-I236 HydrophobicContact CG1-CG1 4.38Å; V232-I236 VanDerWaalsContact O-CG1 3.28Å; V232-I236 WeakPolarHBondContact O-CG1 3.4Å; V232-I236 PolarHBondContact O-N 3.31Å; L233-I236 PolarHBondContact O-N 3.49Å; I236-G238 PolarHBondContact O-N 3.35Å; I236-F239 PolarHBondContact O-N 2.97Å; I236-C240 WeakPolarHBondContact O-CB 3.22Å; I236-C240 PolarHBondContact O-N 3.36Å; I236-C240 PolarHBondContact O-SG 3.02Å; I236-C240 VanDerWaalsContact O-SG 3.34Å |
| 237 | Y | 83 | Confident | 80.2 | Confident | 117 Ų | 117 | 81 Ų | 81 | 46% | 0.459 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -60.2 | -45.6 | 179.1 | -179.2 | -108.9 | 0 | 0 | 0 | 112.1 | L233 I234 C240 Q241 | L233-Y237 VanDerWaalsContact O-CB 3.26Å; L233-Y237 WeakPolarHBondContact O-CB 3.24Å; L233-Y237 PolarHBondContact O-N 2.91Å; I234-Y237 PolarHBondContact O-N 3.4Å; Y237-C240 PolarHBondContact O-N 3.31Å; Y237-Q241 HydrophobicContact CE1-CG 4.43Å; Y237-Q241 WeakPolarHBondContact O-CG 3.33Å; Y237-Q241 PolarHBondContact O-N 3.25Å; Y237-Q241 PolarHBondContact OH-NE2 3.22Å |
| 238 | G | 84.6 | Confident | 79.4 | Confident | 27 Ų | 27 | 87.9 Ų | 87.9 | 28% | 0.278 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -41.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I234 L235 I236 Q241 C242 | I234-G238 PolarHBondContact O-N 2.77Å; L235-G238 PolarHBondContact O-N 2.96Å; I236-G238 PolarHBondContact O-N 3.35Å; G238-Q241 WeakPolarHBondContact O-CB 3.23Å; G238-Q241 PolarHBondContact O-N 3.36Å; G238-C242 PolarHBondContact O-N 2.82Å; G238-C242 PolarHBondContact O-SG 3.37Å |
| 239 | F | 80.1 | Confident | 78.3 | Confident | 143 Ų | 143 | 88.6 Ų | 88.6 | 63% | 0.627 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.4 | -45.7 | 175.3 | -176.6 | -100.3 | 0 | 0 | 0 | 111.9 | L235 I236 Q241 C242 V243 | L235-F239 WeakPolarHBondContact O-CB 3.26Å; L235-F239 PolarHBondContact O-N 3.4Å; I236-F239 PolarHBondContact O-N 2.97Å; F239-Q241 VanDerWaalsContact C-N 3.29Å; F239-Q241 PolarHBondContact O-N 3.5Å; F239-C242 PolarHBondContact O-N 3.28Å; F239-V243 HydrophobicContact CD1-CG2 4.04Å; F239-V243 HydrophobicContact CE1-CG2 3.62Å; F239-V243 HydrophobicContact CE2-CG2 4.15Å; F239-V243 HydrophobicContact CG-CG2 4.48Å; F239-V243 HydrophobicContact CZ-CG2 3.68Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.33Å |
| 240 | C | 78.8 | Confident | 76.8 | Confident | 63 Ų | 63 | 90.8 Ų | 90.8 | 43% | 0.426 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -58.8 | -41 | 174.5 | -73.4 | 0 | 0 | 0 | 0 | 111.7 | I236 Y237 V243 C244 | I236-C240 WeakPolarHBondContact O-CB 3.22Å; I236-C240 PolarHBondContact O-N 3.36Å; I236-C240 PolarHBondContact O-SG 3.02Å; I236-C240 VanDerWaalsContact O-SG 3.34Å; Y237-C240 PolarHBondContact O-N 3.31Å; C240-V243 PolarHBondContact O-N 3.23Å; C240-C244 VanDerWaalsContact O-CB 3.24Å; C240-C244 WeakPolarHBondContact O-CB 3.49Å; C240-C244 PolarHBondContact O-N 3.06Å; C240-C244 PolarHBondContact O-SG 3.44Å |
| 241 | Q | 79.4 | Confident | 74.7 | Confident | 66 Ų | 66 | 95 Ų | 95 | 31% | 0.308 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 174.6 | -74.7 | -175.3 | -9.2 | 0 | 0 | 112.7 | C186 Y237 G238 F239 C244 Y245 | C186-Q241 PolarHBondContact SG-NE2 2.86Å; C186-Q241 PolarHBondContact SG-OE1 3.49Å; C186-Q241 VanDerWaalsContact SG-OE1 3.35Å; Y237-Q241 HydrophobicContact CE1-CG 4.43Å; Y237-Q241 WeakPolarHBondContact O-CG 3.33Å; Y237-Q241 PolarHBondContact O-N 3.25Å; Y237-Q241 PolarHBondContact OH-NE2 3.22Å; G238-Q241 WeakPolarHBondContact O-CB 3.23Å; G238-Q241 PolarHBondContact O-N 3.36Å; F239-Q241 VanDerWaalsContact C-N 3.29Å; F239-Q241 PolarHBondContact O-N 3.5Å; Q241-C244 PolarHBondContact O-N 3.21Å; Q241-Y245 VanDerWaalsContact O-CB 3.31Å; Q241-Y245 WeakPolarHBondContact O-CB 3.26Å; Q241-Y245 PolarHBondContact O-N 3.35Å |
| 242 | C | 75.7 | Confident | 73 | Confident | 82 Ų | 82 | 95.9 Ų | 95.9 | 55% | 0.554 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -62.2 | -46.3 | 176.9 | -70.3 | 0 | 0 | 0 | 0 | 111.7 | G238 F239 Y245 E246 | G238-C242 PolarHBondContact O-N 2.82Å; G238-C242 PolarHBondContact O-SG 3.37Å; F239-C242 PolarHBondContact O-N 3.28Å; C242-Y245 WeakPolarHBondContact O-CB 3.49Å; C242-Y245 PolarHBondContact O-N 3.28Å; C242-E246 WeakPolarHBondContact O-CG 3.24Å; C242-E246 PolarHBondContact O-N 2.99Å |
| 243 | V | 77.9 | Confident | 71.4 | Confident | 64 Ų | 64 | 101.5 Ų | 101.5 | 39% | 0.388 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.3 | -44 | 178.7 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | F239 C240 Y245 E246 L247 | F239-V243 HydrophobicContact CD1-CG2 4.04Å; F239-V243 HydrophobicContact CE1-CG2 3.62Å; F239-V243 HydrophobicContact CE2-CG2 4.15Å; F239-V243 HydrophobicContact CG-CG2 4.48Å; F239-V243 HydrophobicContact CZ-CG2 3.68Å; F239-V243 WeakPolarHBondContact O-CG2 3.33Å; F239-V243 PolarHBondContact O-N 3.33Å; C240-V243 PolarHBondContact O-N 3.23Å; V243-Y245 VanDerWaalsContact C-N 3.28Å; V243-Y245 PolarHBondContact O-N 3.41Å; V243-E246 PolarHBondContact O-N 2.92Å; V243-L247 VanDerWaalsContact O-CB 3.26Å; V243-L247 WeakPolarHBondContact O-CB 3.32Å; V243-L247 PolarHBondContact O-N 3.46Å |
| 244 | C | 74.1 | Confident | 70.7 | Confident | 86 Ų | 86 | 100.7 Ų | 100.7 | 58% | 0.581 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.1 | -36.3 | 175.7 | -72.5 | 0 | 0 | 0 | 0 | 112 | C240 Q241 W248 | C240-C244 VanDerWaalsContact O-CB 3.24Å; C240-C244 WeakPolarHBondContact O-CB 3.49Å; C240-C244 PolarHBondContact O-N 3.06Å; C240-C244 PolarHBondContact O-SG 3.44Å; Q241-C244 PolarHBondContact O-N 3.21Å; C244-W248 WeakPolarHBondContact O-CB 3.33Å; C244-W248 PolarHBondContact O-N 3.33Å; C244-W248 VanDerWaalsContact O-N 3.09Å |
| 245 | Y | 66.6 | Low | 70.1 | Confident | 91 Ų | 91 | 102.9 Ų | 102.9 | 36% | 0.357 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -66 | -45.6 | 175.3 | 177.5 | -90.7 | 0 | 0 | 0 | 112 | K43 W179 Q241 C242 V243 H249 | K43-Y245 PolarHBondContact NZ-OH 3.38Å; W179-Y245 HydrophobicContact CH2-CE2 4.05Å; W179-Y245 HydrophobicContact CZ2-CD2 4.19Å; W179-Y245 AromaticContact CZ2-CE2 3.8Å; W179-Y245 HydrophobicContact CZ2-CE2 3.8Å; Q241-Y245 VanDerWaalsContact O-CB 3.31Å; Q241-Y245 WeakPolarHBondContact O-CB 3.26Å; Q241-Y245 PolarHBondContact O-N 3.35Å; C242-Y245 WeakPolarHBondContact O-CB 3.49Å; C242-Y245 PolarHBondContact O-N 3.28Å; V243-Y245 VanDerWaalsContact C-N 3.28Å; V243-Y245 PolarHBondContact O-N 3.41Å; Y245-H249 AromaticContact CE1-CD2 3.61Å; Y245-H249 AromaticContact CE2-CD2 3.89Å; Y245-H249 AromaticContact CE2-NE2 3.91Å; Y245-H249 AromaticContact CZ-CD2 3.46Å; Y245-H249 VanDerWaalsContact CZ-CD2 3.46Å; Y245-H249 AromaticContact CZ-NE2 3.49Å; Y245-H249 PolarHBondContact O-N 3.38Å; Y245-H249 VanDerWaalsContact O-N 3.15Å; Y245-H249 PolarHBondContact OH-NE2 3.46Å |
| 246 | E | 71.1 | Confident | 69.3 | Low | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 177.6 | -73.3 | -64.9 | 130.8 | 0 | 0 | 112.3 | C242 V243 W248 H249 C250 | C242-E246 WeakPolarHBondContact O-CG 3.24Å; C242-E246 PolarHBondContact O-N 2.99Å; V243-E246 PolarHBondContact O-N 2.92Å; E246-W248 VanDerWaalsContact C-N 3.33Å; E246-W248 PolarHBondContact O-N 3.03Å; E246-H249 PolarHBondContact O-N 2.91Å; E246-C250 PolarHBondContact O-N 3.08Å; E246-C250 VanDerWaalsContact O-N 3.13Å; E246-C250 PolarHBondContact O-SG 3.33Å |
| 247 | L | 68.1 | Low | 68.2 | Low | 112 Ų | 112 | 102 Ų | 102 | 59% | 0.586 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -64.8 | -38.7 | -179.2 | -157.6 | 81.8 | 0 | 0 | 0 | 111.5 | V243 H249 C250 L251 | V243-L247 VanDerWaalsContact O-CB 3.26Å; V243-L247 WeakPolarHBondContact O-CB 3.32Å; V243-L247 PolarHBondContact O-N 3.46Å; L247-H249 VanDerWaalsContact C-N 3.33Å; L247-C250 PolarHBondContact O-N 3.46Å; L247-L251 PolarHBondContact O-N 3.49Å |
| 248 | W | 62.9 | Low | 67.3 | Low | 164 Ų | 164 | 101.1 Ų | 101.1 | 62% | 0.621 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -71.3 | -29 | 176.6 | -162.8 | -88.8 | 0 | 0 | 0 | 112.7 | R175 C244 E246 C250 | R175-W248 VanDerWaalsContact NH2-CZ2 3.33Å; C244-W248 WeakPolarHBondContact O-CB 3.33Å; C244-W248 PolarHBondContact O-N 3.33Å; C244-W248 VanDerWaalsContact O-N 3.09Å; E246-W248 VanDerWaalsContact C-N 3.33Å; E246-W248 PolarHBondContact O-N 3.03Å; W248-C250 VanDerWaalsContact C-N 3.28Å |
| 249 | H | 60.5 | Low | 66.1 | Low | 89 Ų | 89 | 106 Ų | 106 | 41% | 0.412 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -72.7 | -22.1 | 172.4 | -103.5 | -65.2 | 0 | 0 | 0 | 113.2 | Y245 E246 L247 | Y245-H249 AromaticContact CE1-CD2 3.61Å; Y245-H249 AromaticContact CE2-CD2 3.89Å; Y245-H249 AromaticContact CE2-NE2 3.91Å; Y245-H249 AromaticContact CZ-CD2 3.46Å; Y245-H249 VanDerWaalsContact CZ-CD2 3.46Å; Y245-H249 AromaticContact CZ-NE2 3.49Å; Y245-H249 PolarHBondContact O-N 3.38Å; Y245-H249 VanDerWaalsContact O-N 3.15Å; Y245-H249 PolarHBondContact OH-NE2 3.46Å; E246-H249 PolarHBondContact O-N 2.91Å; L247-H249 VanDerWaalsContact C-N 3.33Å |
| 250 | C | 55.9 | Low | 65.1 | Low | 96 Ų | 96 | 103.4 Ų | 103.4 | 65% | 0.649 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -89.8 | -13.2 | 178.6 | -65.9 | 0 | 0 | 0 | 0 | 113.8 | E246 L247 W248 P252 | E246-C250 PolarHBondContact O-N 3.08Å; E246-C250 VanDerWaalsContact O-N 3.13Å; E246-C250 PolarHBondContact O-SG 3.33Å; L247-C250 PolarHBondContact O-N 3.46Å; W248-C250 VanDerWaalsContact C-N 3.28Å; C250-P252 VanDerWaalsContact O-CD 3.26Å; C250-P252 WeakPolarHBondContact O-CD 3.27Å |
| 251 | L | 40.6 | Very low | 64.1 | Low | 114 Ų | 114 | 106.5 Ų | 106.5 | 60% | 0.597 | 58% | 0.582 | S | S | * | * | trans | -92.7 | 106.2 | 176.1 | -86 | 151.3 | 0 | 0 | 0 | 109.9 | L247 | L247-L251 PolarHBondContact O-N 3.49Š| ||
| 252 | P | 46.4 | Very low | 62.8 | Low | 106 Ų | 106 | 109.8 Ų | 109.8 | 69% | 0.688 | 61% | 0.605 | S | S | * | * | trans | -69.1 | 154.2 | 165.4 | 31.7 | -31.7 | 0 | 0 | 0 | 109.6 | C250 | C250-P252 VanDerWaalsContact O-CD 3.26Å; C250-P252 WeakPolarHBondContact O-CD 3.27Å | ||
| 253 | P | 53.7 | Low | 61.6 | Low | 197 Ų | 197 | 112.4 Ų | 112.4 | 100% | 1.279 | 61% | 0.61 | S | S | * | * | trans | -65.4 | 0 | 177.3 | 29.8 | -35.6 | 0 | 0 | 0 | 113.1 |
Retrieved 253 of 253 residues in 91 ms
(Link to these results)