| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 66.6 | Low | 81 | Confident | 225 Ų | 225 | 114.2 Ų | 114.2 | 100% | 1.108 | 61% | 0.608 | S | S | * | * | 0 | 105.2 | 0 | -71 | 177.7 | -162.9 | 0 | 0 | 107.3 | |||||
| 2 | T | 70.5 | Confident | 80.7 | Confident | 146 Ų | 146 | 113.3 Ų | 113.3 | 90% | 0.896 | 60% | 0.603 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 119.7 | 170.5 | 40 | 0 | 0 | 0 | 0 | 107.5 | ||
| 3 | I | 83.8 | Confident | 80.6 | Confident | 107 Ų | 107 | 112.8 Ų | 112.8 | 55% | 0.549 | 59% | 0.594 | S | S | . | * | P | Polyproline II helix | trans | -72.9 | 137.4 | 168.9 | 54.6 | 178.2 | 0 | 0 | 0 | 108.1 | Q7 A8 | I3-Q7 HydrophobicContact CB-CB 4.39Å; I3-A8 HydrophobicContact CD1-CB 3.69Å; I3-A8 HydrophobicContact CG1-CB 4.24Å |
| 4 | S | 86.6 | Confident | 80.9 | Confident | 67 Ų | 67 | 111.9 Ų | 111.9 | 47% | 0.469 | 59% | 0.585 | S | S | . | * | P | Polyproline II helix | trans | -61.9 | 151.3 | 168.6 | 174.7 | 0 | 0 | 0 | 0 | 109.7 | E6 Q7 A8 | S4-E6 PolarHBondContact O-N 3.49Å; S4-Q7 WeakPolarHBondContact O-CA 3.43Å; S4-Q7 WeakPolarHBondContact O-CB 3.5Å; S4-Q7 PolarHBondContact O-N 3.46Å; S4-A8 PolarHBondContact O-N 3.4Å |
| 5 | L | 84.8 | Confident | 80.3 | Confident | 150 Ų | 150 | 111.7 Ų | 111.7 | 79% | 0.785 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -55.8 | -38.3 | 175.8 | -72.6 | 174.4 | 0 | 0 | 0 | 111.8 | Q7 A8 L9 | L5-Q7 VanDerWaalsContact C-N 3.35Å; L5-Q7 PolarHBondContact O-N 3.43Å; L5-A8 WeakPolarHBondContact O-CB 3.23Å; L5-A8 PolarHBondContact O-N 3.21Å; L5-L9 WeakPolarHBondContact O-CB 3.16Å; L5-L9 PolarHBondContact O-N 3.01Å |
| 6 | E | 87.9 | Confident | 80 | Confident | 133 Ų | 133 | 111.2 Ų | 111.2 | 62% | 0.621 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -60.6 | -43.3 | 174.5 | -65.4 | -62 | 150.3 | 0 | 0 | 111.7 | S4 L9 I10 | S4-E6 PolarHBondContact O-N 3.49Å; E6-L9 PolarHBondContact O-N 3.41Å; E6-I10 VanDerWaalsContact O-CG1 3.28Å; E6-I10 WeakPolarHBondContact O-CG1 3.11Å; E6-I10 PolarHBondContact O-N 3.27Å |
| 7 | Q | 85.9 | Confident | 80.1 | Confident | 115 Ų | 115 | 111.4 Ų | 111.4 | 54% | 0.537 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.1 | -40.6 | 176.8 | -67.4 | -91.6 | -44.6 | 0 | 0 | 111 | I3 S4 L5 L9 I10 I11 | I3-Q7 HydrophobicContact CB-CB 4.39Å; S4-Q7 WeakPolarHBondContact O-CA 3.43Å; S4-Q7 WeakPolarHBondContact O-CB 3.5Å; S4-Q7 PolarHBondContact O-N 3.46Å; L5-Q7 VanDerWaalsContact C-N 3.35Å; L5-Q7 PolarHBondContact O-N 3.43Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.11Å; Q7-I10 PolarHBondContact O-N 2.91Å; Q7-I11 WeakPolarHBondContact O-CB 3.09Å; Q7-I11 WeakPolarHBondContact O-CD1 3.47Å; Q7-I11 WeakPolarHBondContact O-CG1 2.94Å; Q7-I11 PolarHBondContact O-N 3.13Å |
| 8 | A | 79.9 | Confident | 80 | Confident | 34 Ų | 34 | 111.2 Ų | 111.2 | 28% | 0.281 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -62.9 | -40.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I3 S4 L5 I11 L12 | I3-A8 HydrophobicContact CD1-CB 3.69Å; I3-A8 HydrophobicContact CG1-CB 4.24Å; S4-A8 PolarHBondContact O-N 3.4Å; L5-A8 WeakPolarHBondContact O-CB 3.23Å; L5-A8 PolarHBondContact O-N 3.21Å; A8-I11 PolarHBondContact O-N 3.32Å; A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.34Å |
| 9 | L | 81.8 | Confident | 79.5 | Confident | 104 Ų | 104 | 109.6 Ų | 109.6 | 55% | 0.545 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67 | -45.1 | 178.5 | -167.4 | 143.2 | 0 | 0 | 0 | 111.5 | L5 E6 Q7 I11 L12 E13 | L5-L9 WeakPolarHBondContact O-CB 3.16Å; L5-L9 PolarHBondContact O-N 3.01Å; E6-L9 PolarHBondContact O-N 3.41Å; Q7-L9 VanDerWaalsContact C-N 3.34Å; Q7-L9 PolarHBondContact O-N 3.11Å; L9-I11 VanDerWaalsContact C-N 3.35Å; L9-I11 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.15Å; L9-E13 WeakPolarHBondContact O-CB 3.38Å; L9-E13 PolarHBondContact O-N 3.42Å |
| 10 | I | 84 | Confident | 79.2 | Confident | 97 Ų | 97 | 109.4 Ų | 109.4 | 50% | 0.497 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -60.4 | -43.8 | 174.8 | -67.4 | 165.2 | 0 | 0 | 0 | 111 | E6 Q7 L12 E13 H14 | E6-I10 VanDerWaalsContact O-CG1 3.28Å; E6-I10 WeakPolarHBondContact O-CG1 3.11Å; E6-I10 PolarHBondContact O-N 3.27Å; Q7-I10 PolarHBondContact O-N 2.91Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.43Å; I10-E13 PolarHBondContact O-N 3.03Å; I10-H14 WeakPolarHBondContact O-CB 3.37Å; I10-H14 PolarHBondContact O-N 2.87Å |
| 11 | I | 79.6 | Confident | 79.1 | Confident | 78 Ų | 78 | 106.7 Ų | 106.7 | 40% | 0.4 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 177.2 | -70.4 | 164.3 | 0 | 0 | 0 | 110.7 | Q7 A8 L9 R15 | Q7-I11 WeakPolarHBondContact O-CB 3.09Å; Q7-I11 WeakPolarHBondContact O-CD1 3.47Å; Q7-I11 WeakPolarHBondContact O-CG1 2.94Å; Q7-I11 PolarHBondContact O-N 3.13Å; A8-I11 PolarHBondContact O-N 3.32Å; L9-I11 VanDerWaalsContact C-N 3.35Å; L9-I11 PolarHBondContact O-N 3.47Å; I11-R15 WeakPolarHBondContact O-CB 3.33Å; I11-R15 WeakPolarHBondContact O-CG 3.31Å; I11-R15 PolarHBondContact O-N 3.29Å |
| 12 | L | 77.2 | Confident | 79.5 | Confident | 104 Ų | 104 | 98.3 Ų | 98.3 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 178.8 | -177.8 | 62.2 | 0 | 0 | 0 | 111 | A8 L9 I10 R15 Q16 | A8-L12 WeakPolarHBondContact O-CB 3.42Å; A8-L12 PolarHBondContact O-N 3.34Å; L9-L12 PolarHBondContact O-N 3.15Å; I10-L12 VanDerWaalsContact C-N 3.32Å; I10-L12 PolarHBondContact O-N 3.43Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.21Å; L12-Q16 WeakPolarHBondContact O-CG 3.36Å; L12-Q16 PolarHBondContact O-N 3.16Å |
| 13 | E | 79.7 | Confident | 79.6 | Confident | 106 Ų | 106 | 93.3 Ų | 93.3 | 50% | 0.495 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -61 | -46.4 | 178.2 | -171.3 | -178.6 | 169.1 | 0 | 0 | 111.4 | L9 I10 R15 Q16 Q17 | L9-E13 WeakPolarHBondContact O-CB 3.38Å; L9-E13 PolarHBondContact O-N 3.42Å; I10-E13 PolarHBondContact O-N 3.03Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 3.4Å; E13-Q16 WeakPolarHBondContact O-CB 3.45Å; E13-Q16 PolarHBondContact O-N 3.37Å; E13-Q16 VanDerWaalsContact O-N 3.08Å; E13-Q17 PolarHBondContact O-N 3.08Å |
| 14 | H | 84.4 | Confident | 79.3 | Confident | 101 Ų | 101 | 93.9 Ų | 93.9 | 47% | 0.468 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.5 | -40.3 | 175.2 | 178.4 | -101.9 | 0 | 0 | 0 | 111.7 | I10 Q17 Q18 | I10-H14 WeakPolarHBondContact O-CB 3.37Å; I10-H14 PolarHBondContact O-N 2.87Å; H14-Q17 PolarHBondContact O-N 3.3Å; H14-Q18 PolarHBondContact CE1-NE2 2.72Å; H14-Q18 PolarHBondContact NE2-NE2 2.65Å; H14-Q18 WeakPolarHBondContact O-CG 3.32Å; H14-Q18 PolarHBondContact O-N 3.33Å |
| 15 | R | 72.1 | Confident | 79 | Confident | 108 Ų | 108 | 96.8 Ų | 96.8 | 41% | 0.408 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64.6 | -38.9 | 173.4 | -81.7 | -166.4 | -174.9 | -96.7 | 6.5 | 112.6 | I11 L12 E13 Q18 M19 F258 | I11-R15 WeakPolarHBondContact O-CB 3.33Å; I11-R15 WeakPolarHBondContact O-CG 3.31Å; I11-R15 PolarHBondContact O-N 3.29Å; L12-R15 WeakPolarHBondContact O-CB 3.48Å; L12-R15 PolarHBondContact O-N 3.21Å; E13-R15 VanDerWaalsContact C-N 3.3Å; E13-R15 PolarHBondContact O-N 3.4Å; R15-Q18 PolarHBondContact O-N 3.06Å; R15-M19 WeakPolarHBondContact O-CB 3.05Å; R15-M19 PolarHBondContact O-N 2.96Å; R15-F258 VanDerWaalsContact NH1-CD2 3.32Å |
| 16 | Q | 76 | Confident | 78.6 | Confident | 104 Ų | 104 | 90.8 Ų | 90.8 | 49% | 0.486 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -65.6 | -42.9 | 176.6 | -68.3 | -61.7 | -42 | 0 | 0 | 111.3 | L12 E13 M19 L20 | L12-Q16 WeakPolarHBondContact O-CG 3.36Å; L12-Q16 PolarHBondContact O-N 3.16Å; E13-Q16 WeakPolarHBondContact O-CB 3.45Å; E13-Q16 PolarHBondContact O-N 3.37Å; E13-Q16 VanDerWaalsContact O-N 3.08Å; Q16-M19 WeakPolarHBondContact O-CB 3.39Å; Q16-M19 PolarHBondContact O-N 3.21Å; Q16-L20 WeakPolarHBondContact O-CB 3.33Å; Q16-L20 PolarHBondContact O-N 3Å |
| 17 | Q | 81.5 | Confident | 77.9 | Confident | 114 Ų | 114 | 86.4 Ų | 86.4 | 53% | 0.533 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -43.8 | 175.8 | -72.9 | -178.8 | -1.7 | 0 | 0 | 111.9 | E13 H14 M19 L20 A21 | E13-Q17 PolarHBondContact O-N 3.08Å; H14-Q17 PolarHBondContact O-N 3.3Å; Q17-M19 VanDerWaalsContact C-N 3.33Å; Q17-M19 PolarHBondContact O-N 3.28Å; Q17-L20 PolarHBondContact O-N 3.02Å; Q17-A21 WeakPolarHBondContact O-CB 3.42Å; Q17-A21 PolarHBondContact O-N 3.13Å |
| 18 | Q | 77 | Confident | 77.4 | Confident | 109 Ų | 109 | 86.5 Ų | 86.5 | 51% | 0.509 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -61 | -42.2 | 174.2 | -75.6 | -170.5 | -11.6 | 0 | 0 | 112.1 | H14 R15 L20 A21 F22 | H14-Q18 PolarHBondContact CE1-NE2 2.72Å; H14-Q18 PolarHBondContact NE2-NE2 2.65Å; H14-Q18 WeakPolarHBondContact O-CG 3.32Å; H14-Q18 PolarHBondContact O-N 3.33Å; R15-Q18 PolarHBondContact O-N 3.06Å; Q18-L20 VanDerWaalsContact C-N 3.35Å; Q18-A21 PolarHBondContact O-N 2.98Å; Q18-F22 VanDerWaalsContact O-CB 3.27Å; Q18-F22 WeakPolarHBondContact O-CB 3.23Å; Q18-F22 PolarHBondContact O-N 3.17Å |
| 19 | M | 71.4 | Confident | 77.3 | Confident | 80 Ų | 80 | 87.7 Ų | 87.7 | 39% | 0.394 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -61.9 | -44.3 | 176.3 | -170.6 | -173.3 | -53.5 | 0 | 0 | 111 | R15 Q16 Q17 F22 Q23 | R15-M19 WeakPolarHBondContact O-CB 3.05Å; R15-M19 PolarHBondContact O-N 2.96Å; Q16-M19 WeakPolarHBondContact O-CB 3.39Å; Q16-M19 PolarHBondContact O-N 3.21Å; Q17-M19 VanDerWaalsContact C-N 3.33Å; Q17-M19 PolarHBondContact O-N 3.28Å; M19-F22 PolarHBondContact O-N 3.11Å; M19-Q23 WeakPolarHBondContact O-CG 3.27Å; M19-Q23 PolarHBondContact O-N 3.27Å |
| 20 | L | 72.9 | Confident | 76.9 | Confident | 106 Ų | 106 | 84.1 Ų | 84.1 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -64.6 | -45.4 | 178.6 | -174.6 | 66 | 0 | 0 | 0 | 112.1 | Q16 Q17 Q18 F22 Q23 Q24 | Q16-L20 WeakPolarHBondContact O-CB 3.33Å; Q16-L20 PolarHBondContact O-N 3Å; Q17-L20 PolarHBondContact O-N 3.02Å; Q18-L20 VanDerWaalsContact C-N 3.35Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 2.95Å; L20-Q23 WeakPolarHBondContact O-CB 3.2Å; L20-Q23 PolarHBondContact O-N 3.47Å; L20-Q24 WeakPolarHBondContact O-CG 3.2Å; L20-Q24 PolarHBondContact O-N 3.13Å |
| 21 | A | 77.6 | Confident | 76.5 | Confident | 53 Ų | 53 | 81.7 Ų | 81.7 | 44% | 0.438 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.2 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q17 Q18 Q23 Q24 Q25 | Q17-A21 WeakPolarHBondContact O-CB 3.42Å; Q17-A21 PolarHBondContact O-N 3.13Å; Q18-A21 PolarHBondContact O-N 2.98Å; A21-Q23 PolarHBondContact O-N 2.96Å; A21-Q24 PolarHBondContact O-N 3.09Å; A21-Q25 WeakPolarHBondContact O-CB 3.14Å; A21-Q25 PolarHBondContact O-N 2.75Å |
| 22 | F | 75.6 | Confident | 76.3 | Confident | 49 Ų | 49 | 82.4 Ų | 82.4 | 22% | 0.215 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.1 | -40.8 | 175.4 | -173.6 | -98.8 | 0 | 0 | 0 | 112.3 | Q18 M19 L20 Q25 L26 W250 V264 F267 | Q18-F22 VanDerWaalsContact O-CB 3.27Å; Q18-F22 WeakPolarHBondContact O-CB 3.23Å; Q18-F22 PolarHBondContact O-N 3.17Å; M19-F22 PolarHBondContact O-N 3.11Å; L20-F22 VanDerWaalsContact C-N 3.31Å; L20-F22 PolarHBondContact O-N 2.95Å; F22-Q25 PolarHBondContact O-N 3.45Å; F22-L26 HydrophobicContact CD1-CD1 3.9Å; F22-L26 HydrophobicContact CD1-CG 4.22Å; F22-L26 HydrophobicContact CE1-CD1 3.27Å; F22-L26 HydrophobicContact CE1-CD2 4.28Å; F22-L26 HydrophobicContact CE1-CG 3.63Å; F22-L26 HydrophobicContact CZ-CD1 3.93Å; F22-L26 HydrophobicContact CZ-CD2 4.08Å; F22-L26 HydrophobicContact CZ-CG 3.84Å; F22-L26 PolarHBondContact O-N 3.39Å; F22-W250 AromaticContact CD1-CZ2 3.79Å; F22-W250 HydrophobicContact CD1-CZ2 3.79Å; F22-W250 AromaticContact CE1-CZ2 3.45Å; F22-W250 HydrophobicContact CE1-CZ2 3.45Å; F22-W250 VanDerWaalsContact CE1-CZ2 3.45Å; F22-W250 HydrophobicContact CZ-CZ2 4.25Å; F22-V264 HydrophobicContact CZ-CG1 4.45Å; F22-F267 HydrophobicContact CE1-CE1 4.28Å; F22-F267 AromaticContact CE1-CZ 3.71Å; F22-F267 HydrophobicContact CE1-CZ 3.71Å; F22-F267 HydrophobicContact CZ-CE1 4.29Å; F22-F267 AromaticContact CZ-CE2 3.75Å; F22-F267 HydrophobicContact CZ-CE2 3.75Å; F22-F267 AromaticContact CZ-CZ 3.32Å; F22-F267 HydrophobicContact CZ-CZ 3.32Å |
| 23 | Q | 71 | Confident | 76.2 | Confident | 40 Ų | 40 | 83.6 Ų | 83.6 | 19% | 0.187 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.5 | -44.4 | 175 | -72.1 | -71.9 | -47.6 | 0 | 0 | 111.9 | M19 L20 A21 L26 F27 I228 | M19-Q23 WeakPolarHBondContact O-CG 3.27Å; M19-Q23 PolarHBondContact O-N 3.27Å; L20-Q23 WeakPolarHBondContact O-CB 3.2Å; L20-Q23 PolarHBondContact O-N 3.47Å; A21-Q23 PolarHBondContact O-N 2.96Å; Q23-L26 PolarHBondContact O-N 3.26Å; Q23-F27 WeakPolarHBondContact O-CB 3.41Å; Q23-F27 PolarHBondContact O-N 2.73Å; Q23-I228 HydrophobicContact CG-CD1 4.44Å |
| 24 | Q | 78 | Confident | 75.6 | Confident | 120 Ų | 120 | 82.9 Ų | 82.9 | 56% | 0.561 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -61.6 | -46.3 | 175.6 | -72.6 | 175.6 | -12.8 | 0 | 0 | 111.1 | L20 A21 L26 F27 E28 | L20-Q24 WeakPolarHBondContact O-CG 3.2Å; L20-Q24 PolarHBondContact O-N 3.13Å; A21-Q24 PolarHBondContact O-N 3.09Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 2.79Å; Q24-F27 WeakPolarHBondContact O-CB 3.43Å; Q24-F27 PolarHBondContact O-N 3.18Å; Q24-F27 VanDerWaalsContact O-N 3.14Å; Q24-E28 WeakPolarHBondContact O-CG 3.42Å; Q24-E28 PolarHBondContact O-N 3.02Å |
| 25 | Q | 79.6 | Confident | 74.8 | Confident | 128 Ų | 128 | 83.3 Ų | 83.3 | 60% | 0.598 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.3 | -40.9 | 177.5 | -173.7 | -178.8 | -18.3 | 0 | 0 | 112.4 | A21 F22 T29 | A21-Q25 WeakPolarHBondContact O-CB 3.14Å; A21-Q25 PolarHBondContact O-N 2.75Å; F22-Q25 PolarHBondContact O-N 3.45Å; Q25-T29 VanDerWaalsContact O-CB 3.32Å; Q25-T29 WeakPolarHBondContact O-CB 3.39Å; Q25-T29 PolarHBondContact O-N 3.25Å; Q25-T29 PolarHBondContact O-OG1 3.15Å |
| 26 | L | 77 | Confident | 74.5 | Confident | 23 Ų | 23 | 82.5 Ų | 82.5 | 12% | 0.12 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 173.7 | -82.7 | -177.9 | 0 | 0 | 0 | 111.5 | F22 Q23 Q24 T29 V30 V248 F267 | F22-L26 HydrophobicContact CD1-CD1 3.9Å; F22-L26 HydrophobicContact CD1-CG 4.22Å; F22-L26 HydrophobicContact CE1-CD1 3.27Å; F22-L26 HydrophobicContact CE1-CD2 4.28Å; F22-L26 HydrophobicContact CE1-CG 3.63Å; F22-L26 HydrophobicContact CZ-CD1 3.93Å; F22-L26 HydrophobicContact CZ-CD2 4.08Å; F22-L26 HydrophobicContact CZ-CG 3.84Å; F22-L26 PolarHBondContact O-N 3.39Å; Q23-L26 PolarHBondContact O-N 3.26Å; Q24-L26 VanDerWaalsContact C-N 3.34Å; Q24-L26 PolarHBondContact O-N 2.79Å; L26-T29 PolarHBondContact O-N 3.28Å; L26-V30 WeakPolarHBondContact O-CB 3.35Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.39Å; L26-V248 HydrophobicContact CD1-CG1 4.14Å; L26-F267 HydrophobicContact CD1-CE1 4.2Å; L26-F267 HydrophobicContact CD1-CZ 4.41Å; L26-F267 HydrophobicContact CD2-CD1 4.5Å; L26-F267 HydrophobicContact CD2-CD2 4.14Å; L26-F267 HydrophobicContact CD2-CE1 4.39Å; L26-F267 HydrophobicContact CD2-CE2 4.02Å; L26-F267 HydrophobicContact CD2-CG 4.42Å; L26-F267 HydrophobicContact CD2-CZ 4.2Å |
| 27 | F | 73.6 | Confident | 73.6 | Confident | 42 Ų | 42 | 83.2 Ų | 83.2 | 18% | 0.184 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.7 | -51.2 | 177.8 | 178.8 | -107.9 | 0 | 0 | 0 | 111.2 | Q23 Q24 T29 V30 L31 F232 L246 | Q23-F27 WeakPolarHBondContact O-CB 3.41Å; Q23-F27 PolarHBondContact O-N 2.73Å; Q24-F27 WeakPolarHBondContact O-CB 3.43Å; Q24-F27 PolarHBondContact O-N 3.18Å; Q24-F27 VanDerWaalsContact O-N 3.14Å; F27-T29 VanDerWaalsContact C-N 3.35Å; F27-T29 PolarHBondContact O-N 3.03Å; F27-V30 PolarHBondContact O-N 3.42Å; F27-L31 HydrophobicContact CD1-CD1 3.98Å; F27-L31 HydrophobicContact CD1-CG 4.24Å; F27-L31 HydrophobicContact CD2-CG 4.32Å; F27-L31 HydrophobicContact CE1-CD1 3.28Å; F27-L31 HydrophobicContact CE1-CG 3.88Å; F27-L31 HydrophobicContact CE2-CD1 4.09Å; F27-L31 HydrophobicContact CE2-CD2 3.85Å; F27-L31 HydrophobicContact CE2-CG 3.91Å; F27-L31 HydrophobicContact CG-CG 4.48Å; F27-L31 HydrophobicContact CZ-CD1 3.37Å; F27-L31 HydrophobicContact CZ-CD2 3.89Å; F27-L31 HydrophobicContact CZ-CG 3.72Å; F27-L31 WeakPolarHBondContact O-CG 3.13Å; F27-L31 PolarHBondContact O-N 3.41Å; F27-F232 AromaticContact CD2-CE2 3.86Å; F27-F232 HydrophobicContact CD2-CE2 3.86Å; F27-F232 HydrophobicContact CD2-CZ 4.38Å; F27-F232 HydrophobicContact CE1-CE2 4.3Å; F27-F232 HydrophobicContact CE1-CZ 4.03Å; F27-F232 AromaticContact CE2-CD2 3.5Å; F27-F232 HydrophobicContact CE2-CD2 3.5Å; F27-F232 VanDerWaalsContact CE2-CD2 3.5Å; F27-F232 HydrophobicContact CE2-CE1 4.46Å; F27-F232 AromaticContact CE2-CE2 3.01Å; F27-F232 HydrophobicContact CE2-CE2 3.01Å; F27-F232 HydrophobicContact CE2-CG 4.38Å; F27-F232 AromaticContact CE2-CZ 3.59Å; F27-F232 HydrophobicContact CE2-CZ 3.59Å; F27-F232 HydrophobicContact CZ-CD1 4.27Å; F27-F232 AromaticContact CZ-CD2 3.74Å; F27-F232 HydrophobicContact CZ-CD2 3.74Å; F27-F232 AromaticContact CZ-CE1 3.86Å; F27-F232 HydrophobicContact CZ-CE1 3.86Å; F27-F232 AromaticContact CZ-CE2 3.26Å; F27-F232 HydrophobicContact CZ-CE2 3.26Å; F27-F232 HydrophobicContact CZ-CG 4.21Å; F27-F232 AromaticContact CZ-CZ 3.33Å; F27-F232 HydrophobicContact CZ-CZ 3.33Å; F27-L246 HydrophobicContact CD2-CD2 4.23Å |
| 28 | E | 74.7 | Confident | 72.1 | Confident | 116 Ų | 116 | 80.1 Ų | 80.1 | 54% | 0.542 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -59.2 | -44.5 | 176.5 | -68 | -55.7 | 145.5 | 0 | 0 | 111.7 | Q24 V30 L31 D32 | Q24-E28 WeakPolarHBondContact O-CG 3.42Å; Q24-E28 PolarHBondContact O-N 3.02Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 2.96Å; E28-L31 PolarHBondContact O-N 2.92Å; E28-D32 VanDerWaalsContact O-CB 3.22Å; E28-D32 WeakPolarHBondContact O-CB 3.42Å; E28-D32 PolarHBondContact O-N 3.08Å |
| 29 | T | 78.9 | Confident | 70.7 | Confident | 60 Ų | 60 | 79.3 Ų | 79.3 | 37% | 0.368 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 178 | -58.5 | 0 | 0 | 0 | 0 | 112 | Q25 L26 F27 K33 | Q25-T29 VanDerWaalsContact O-CB 3.32Å; Q25-T29 WeakPolarHBondContact O-CB 3.39Å; Q25-T29 PolarHBondContact O-N 3.25Å; Q25-T29 PolarHBondContact O-OG1 3.15Å; L26-T29 PolarHBondContact O-N 3.28Å; F27-T29 VanDerWaalsContact C-N 3.35Å; F27-T29 PolarHBondContact O-N 3.03Å; T29-K33 WeakPolarHBondContact O-CG 3.48Å; T29-K33 PolarHBondContact O-N 3.47Å; T29-K33 VanDerWaalsContact O-N 3.15Å |
| 30 | V | 74 | Confident | 69.5 | Low | 28 Ų | 28 | 84.7 Ų | 84.7 | 17% | 0.17 | 45% | 0.445 | C | S | . | . | H | α-helix | trans | -70.2 | -47.9 | 177.6 | 169.3 | 0 | 0 | 0 | 0 | 109.9 | L26 F27 E28 D32 K33 F34 L246 | L26-V30 WeakPolarHBondContact O-CB 3.35Å; L26-V30 WeakPolarHBondContact O-CG2 3.49Å; L26-V30 PolarHBondContact O-N 3.39Å; F27-V30 PolarHBondContact O-N 3.42Å; E28-V30 VanDerWaalsContact C-N 3.29Å; E28-V30 PolarHBondContact O-N 2.96Å; V30-D32 PolarHBondContact O-N 3.35Å; V30-K33 PolarHBondContact O-N 3.38Å; V30-F34 HydrophobicContact CG1-CD2 3.51Å; V30-F34 HydrophobicContact CG1-CE2 3.48Å; V30-F34 VanDerWaalsContact CG1-CE2 3.48Å; V30-F34 WeakPolarHBondContact O-CD2 3.18Å; V30-F34 PolarHBondContact O-N 3.37Å; V30-L246 HydrophobicContact CB-CD2 4.24Å; V30-L246 HydrophobicContact CG1-CD1 3.94Å; V30-L246 HydrophobicContact CG1-CD2 4.04Å; V30-L246 HydrophobicContact CG2-CD1 4.46Å; V30-L246 HydrophobicContact CG2-CD2 4.33Å |
| 31 | L | 75.3 | Confident | 68.1 | Low | 47 Ų | 47 | 87.7 Ų | 87.7 | 25% | 0.246 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -57.7 | -47.4 | 176.1 | -72.2 | -163.6 | 0 | 0 | 0 | 111.7 | F27 E28 K33 F34 F35 | F27-L31 HydrophobicContact CD1-CD1 3.98Å; F27-L31 HydrophobicContact CD1-CG 4.24Å; F27-L31 HydrophobicContact CD2-CG 4.32Å; F27-L31 HydrophobicContact CE1-CD1 3.28Å; F27-L31 HydrophobicContact CE1-CG 3.88Å; F27-L31 HydrophobicContact CE2-CD1 4.09Å; F27-L31 HydrophobicContact CE2-CD2 3.85Å; F27-L31 HydrophobicContact CE2-CG 3.91Å; F27-L31 HydrophobicContact CG-CG 4.48Å; F27-L31 HydrophobicContact CZ-CD1 3.37Å; F27-L31 HydrophobicContact CZ-CD2 3.89Å; F27-L31 HydrophobicContact CZ-CG 3.72Å; F27-L31 WeakPolarHBondContact O-CG 3.13Å; F27-L31 PolarHBondContact O-N 3.41Å; E28-L31 PolarHBondContact O-N 2.92Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.38Å; L31-F34 PolarHBondContact O-N 2.83Å; L31-F35 HydrophobicContact CB-CD2 4.07Å; L31-F35 HydrophobicContact CB-CE2 4.13Å; L31-F35 HydrophobicContact CD1-CE2 4.35Å; L31-F35 HydrophobicContact CD2-CE2 3.88Å; L31-F35 HydrophobicContact CG-CE2 4.34Å; L31-F35 WeakPolarHBondContact O-CD2 3.45Å; L31-F35 PolarHBondContact O-N 2.99Å |
| 32 | D | 74 | Confident | 66.3 | Low | 93 Ų | 93 | 89.4 Ų | 89.4 | 50% | 0.497 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -55.4 | -47.7 | 177.5 | -171.2 | 85.6 | 0 | 0 | 0 | 110.7 | E28 V30 F34 F35 N36 | E28-D32 VanDerWaalsContact O-CB 3.22Å; E28-D32 WeakPolarHBondContact O-CB 3.42Å; E28-D32 PolarHBondContact O-N 3.08Å; V30-D32 PolarHBondContact O-N 3.35Å; D32-F34 PolarHBondContact O-N 3.5Å; D32-F35 PolarHBondContact O-N 2.83Å; D32-N36 WeakPolarHBondContact O-CB 3.15Å; D32-N36 PolarHBondContact O-N 2.83Å; D32-N36 PolarHBondContact O-ND2 3.34Å; D32-N36 PolarHBondContact OD1-ND2 3.33Å; D32-N36 PolarHBondContact OD2-ND2 2.87Å |
| 33 | K | 75.2 | Confident | 64.8 | Low | 128 Ų | 128 | 92.9 Ų | 92.9 | 56% | 0.557 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64 | -35.5 | 174.5 | -74.2 | 178 | 179.8 | -178.2 | 0 | 113.2 | T29 V30 L31 N37 | T29-K33 WeakPolarHBondContact O-CG 3.48Å; T29-K33 PolarHBondContact O-N 3.47Å; T29-K33 VanDerWaalsContact O-N 3.15Å; V30-K33 PolarHBondContact O-N 3.38Å; L31-K33 VanDerWaalsContact C-N 3.31Å; L31-K33 PolarHBondContact O-N 3.38Å; K33-N37 WeakPolarHBondContact O-CB 3.18Å; K33-N37 PolarHBondContact O-N 3.49Å; K33-N37 PolarHBondContact O-ND2 3.33Å |
| 34 | F | 68.5 | Low | 63.6 | Low | 92 Ų | 92 | 96.4 Ų | 96.4 | 40% | 0.404 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.8 | -45.1 | 178.5 | -90.9 | -74.5 | 0 | 0 | 0 | 112.2 | V30 L31 D32 L274 | V30-F34 HydrophobicContact CG1-CD2 3.51Å; V30-F34 HydrophobicContact CG1-CE2 3.48Å; V30-F34 VanDerWaalsContact CG1-CE2 3.48Å; V30-F34 WeakPolarHBondContact O-CD2 3.18Å; V30-F34 PolarHBondContact O-N 3.37Å; L31-F34 PolarHBondContact O-N 2.83Å; D32-F34 PolarHBondContact O-N 3.5Å; F34-L274 HydrophobicContact CE1-CD2 4.11Å; F34-L274 HydrophobicContact CZ-CD1 4.32Å; F34-L274 HydrophobicContact CZ-CD2 3.71Å |
| 35 | F | 67.9 | Low | 61.9 | Low | 110 Ų | 110 | 97.3 Ų | 97.3 | 48% | 0.482 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -81.8 | -39.5 | -175.3 | -68.1 | -65.3 | 0 | 0 | 0 | 112.3 | L31 D32 G38 | L31-F35 HydrophobicContact CB-CD2 4.07Å; L31-F35 HydrophobicContact CB-CE2 4.13Å; L31-F35 HydrophobicContact CD1-CE2 4.35Å; L31-F35 HydrophobicContact CD2-CE2 3.88Å; L31-F35 HydrophobicContact CG-CE2 4.34Å; L31-F35 WeakPolarHBondContact O-CD2 3.45Å; L31-F35 PolarHBondContact O-N 2.99Å; D32-F35 PolarHBondContact O-N 2.83Å; F35-G38 PolarHBondContact O-N 2.78Å |
| 36 | N | 63.8 | Low | 59.9 | Low | 91 Ų | 91 | 100.3 Ų | 100.3 | 49% | 0.487 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -79.5 | -26 | -177.8 | -63.2 | -28.3 | 0 | 0 | 0 | 113.4 | D32 G38 A39 | D32-N36 WeakPolarHBondContact O-CB 3.15Å; D32-N36 PolarHBondContact O-N 2.83Å; D32-N36 PolarHBondContact O-ND2 3.34Å; D32-N36 PolarHBondContact OD1-ND2 3.33Å; D32-N36 PolarHBondContact OD2-ND2 2.87Å; N36-G38 PolarHBondContact O-N 2.94Å; N36-A39 PolarHBondContact O-N 3.41Å |
| 37 | N | 59 | Low | 58.2 | Low | 118 Ų | 118 | 108.1 Ų | 108.1 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | G | 310 helix | trans | -73.4 | -11.6 | 172.6 | -69.4 | -31.1 | 0 | 0 | 0 | 112.9 | K33 A39 | K33-N37 WeakPolarHBondContact O-CB 3.18Å; K33-N37 PolarHBondContact O-N 3.49Å; K33-N37 PolarHBondContact O-ND2 3.33Å; N37-A39 VanDerWaalsContact C-N 3.29Å; N37-A39 PolarHBondContact O-N 3.29Å |
| 38 | G | 48.9 | Very low | 56.3 | Low | 50 Ų | 50 | 115.3 Ų | 115.3 | 52% | 0.515 | 61% | 0.605 | S | S | . | * | G | 310 helix | trans | -68.7 | -23.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | F35 N36 K40 | F35-G38 PolarHBondContact O-N 2.78Å; N36-G38 PolarHBondContact O-N 2.94Å; G38-K40 VanDerWaalsContact C-N 3.32Å; G38-K40 PolarHBondContact O-N 3.39Å |
| 39 | A | 46.9 | Very low | 54.7 | Low | 92 Ų | 92 | 115 Ų | 115 | 76% | 0.76 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -84.4 | 1.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | N36 N37 | N36-A39 PolarHBondContact O-N 3.41Å; N37-A39 VanDerWaalsContact C-N 3.29Å; N37-A39 PolarHBondContact O-N 3.29Å |
| 40 | K | 47.9 | Very low | 52.8 | Low | 192 Ų | 192 | 121.6 Ų | 121.6 | 84% | 0.835 | 64% | 0.637 | S | S | * | * | G | 310 helix | trans | -119.5 | 14.8 | 177.8 | -90.1 | -175.6 | -178.8 | 175.2 | 0 | 115 | G38 A42 | G38-K40 VanDerWaalsContact C-N 3.32Å; G38-K40 PolarHBondContact O-N 3.39Å; K40-A42 PolarHBondContact O-N 3.49Å |
| 41 | M | 42.9 | Very low | 51.2 | Low | 170 Ų | 170 | 123.3 Ų | 123.3 | 84% | 0.837 | 66% | 0.661 | S | S | * | * | trans | -71.9 | 82.9 | 157.8 | -78.9 | -152 | -90.6 | 0 | 0 | 108.2 | V43 | M41-V43 PolarHBondContact O-N 3.14Š| ||
| 42 | A | 40.1 | Very low | 49.4 | Very low | 89 Ų | 89 | 126.3 Ų | 126.3 | 74% | 0.736 | 69% | 0.685 | S | S | * | * | trans | -47.1 | 113.8 | 158 | 0 | 0 | 0 | 0 | 0 | 106.4 | K40 P44 | K40-A42 PolarHBondContact O-N 3.49Å; A42-P44 VanDerWaalsContact O-N 3.13Å | ||
| 43 | V | 44.6 | Very low | 48.1 | Very low | 121 Ų | 121 | 129.1 Ų | 129.1 | 73% | 0.733 | 70% | 0.699 | S | S | * | * | trans | -41.9 | 123.1 | 163.2 | 176.1 | 0 | 0 | 0 | 0 | 105.6 | M41 E45 | M41-V43 PolarHBondContact O-N 3.14Å; V43-E45 VanDerWaalsContact C-N 3.26Å; V43-E45 PolarHBondContact O-N 3.01Å | ||
| 44 | P | 45.4 | Very low | 46.6 | Very low | 115 Ų | 115 | 128.3 Ų | 128.3 | 75% | 0.747 | 71% | 0.707 | S | S | * | * | trans | -59.3 | 106 | 169.4 | 24.6 | -29 | 0 | 0 | 0 | 104.8 | A42 E46 | A42-P44 VanDerWaalsContact O-N 3.13Å; P44-E46 PolarHBondContact O-N 3.45Å | ||
| 45 | E | 40.9 | Very low | 45.6 | Very low | 139 Ų | 139 | 133.8 Ų | 133.8 | 65% | 0.65 | 73% | 0.731 | S | S | * | * | trans | -57.4 | 99.5 | 172.1 | -167.5 | -177.7 | -149.6 | 0 | 0 | 104.6 | V43 R47 | V43-E45 VanDerWaalsContact C-N 3.26Å; V43-E45 PolarHBondContact O-N 3.01Å; E45-R47 PolarHBondContact O-N 3.39Å; E45-R47 IonicContact OE2-CZ 3.38Å; E45-R47 IonicContact OE2-NE 3.68Å; E45-R47 IonicContact OE2-NH2 2.94Å; E45-R47 PolarHBondContact OE2-NH2 3.43Å | ||
| 46 | E | 37.6 | Very low | 44.3 | Very low | 190 Ų | 190 | 135.6 Ų | 135.6 | 89% | 0.888 | 74% | 0.744 | S | S | * | * | trans | -66.6 | 80.7 | 175.9 | -129.4 | -177.4 | -172.2 | 0 | 0 | 105.8 | P44 Q48 | P44-E46 PolarHBondContact O-N 3.45Å; E46-Q48 PolarHBondContact O-N 3.4Å | ||
| 47 | R | 42.4 | Very low | 43.3 | Very low | 187 Ų | 187 | 136.9 Ų | 136.9 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | trans | -62.8 | 112.7 | 163.8 | -56.5 | -165.3 | -162.2 | -118 | -8.4 | 104.3 | E45 V49 | E45-R47 PolarHBondContact O-N 3.39Å; E45-R47 IonicContact OE2-CZ 3.38Å; E45-R47 IonicContact OE2-NE 3.68Å; E45-R47 IonicContact OE2-NH2 2.94Å; E45-R47 PolarHBondContact OE2-NH2 3.43Å; R47-V49 PolarHBondContact O-N 2.83Å | ||
| 48 | Q | 32.6 | Very low | 42.4 | Very low | 194 Ų | 194 | 138.9 Ų | 138.9 | 91% | 0.907 | 77% | 0.771 | S | S | * | * | trans | -54.8 | 94.9 | 162.4 | -75.2 | -172.2 | -18.8 | 0 | 0 | 106.9 | E46 E50 | E46-Q48 PolarHBondContact O-N 3.4Å; Q48-E50 VanDerWaalsContact C-N 3.29Å; Q48-E50 PolarHBondContact O-N 3.18Å; Q48-E50 VanDerWaalsContact O-N 3.13Å | ||
| 49 | V | 41.3 | Very low | 42.1 | Very low | 110 Ų | 110 | 139.8 Ų | 139.8 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | trans | -78.4 | 95.8 | 164.6 | 172.7 | 0 | 0 | 0 | 0 | 104.7 | R47 G51 | R47-V49 PolarHBondContact O-N 2.83Å; V49-G51 PolarHBondContact O-N 3.29Å; V49-G51 VanDerWaalsContact O-N 3.09Å | ||
| 50 | E | 38.7 | Very low | 41.8 | Very low | 197 Ų | 197 | 145.3 Ų | 145.3 | 92% | 0.921 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -54.3 | 110.8 | 167.4 | -169 | 152.9 | -165.9 | 0 | 0 | 108.3 | Q48 | Q48-E50 VanDerWaalsContact C-N 3.29Å; Q48-E50 PolarHBondContact O-N 3.18Å; Q48-E50 VanDerWaalsContact O-N 3.13Å |
| 51 | G | 41.1 | Very low | 41.4 | Very low | 65 Ų | 65 | 142.3 Ų | 142.3 | 67% | 0.67 | 79% | 0.789 | S | S | * | * | trans | 100.5 | 70.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | V49 | V49-G51 PolarHBondContact O-N 3.29Å; V49-G51 VanDerWaalsContact O-N 3.09Å | ||
| 52 | S | 38.7 | Very low | 41.6 | Very low | 109 Ų | 109 | 143.6 Ų | 143.6 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | trans | -154.6 | 133 | 150.5 | -80.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 53 | I | 45.2 | Very low | 41.8 | Very low | 153 Ų | 153 | 147.5 Ų | 147.5 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 131.5 | -163.4 | -61.4 | 159.3 | 0 | 0 | 0 | 111.1 | F55 | I53-F55 PolarHBondContact O-N 2.9Š|
| 54 | P | 44.8 | Very low | 41.7 | Very low | 111 Ų | 111 | 145 Ų | 145 | 72% | 0.721 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 123.8 | 177.2 | 27.5 | -31.2 | 0 | 0 | 0 | 111 | I56 | P54-I56 PolarHBondContact O-N 3.35Š|
| 55 | F | 46.2 | Very low | 41.4 | Very low | 207 Ų | 207 | 149.1 Ų | 149.1 | 91% | 0.908 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 121.5 | 170.6 | -71.5 | -86.5 | 0 | 0 | 0 | 110 | I53 | I53-F55 PolarHBondContact O-N 2.9Š|
| 56 | I | 40.5 | Very low | 41.5 | Very low | 148 Ų | 148 | 151 Ų | 151 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72 | 125 | 179.4 | -58.7 | 167.8 | 0 | 0 | 0 | 109.2 | P54 | P54-I56 PolarHBondContact O-N 3.35Š|
| 57 | S | 44.6 | Very low | 41.6 | Very low | 118 Ų | 118 | 146.9 Ų | 146.9 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | trans | -91.8 | 100.8 | 163.4 | 69.4 | 0 | 0 | 0 | 0 | 109.7 | G59 | S57-G59 PolarHBondContact O-N 2.89Š| ||
| 58 | D | 39.8 | Very low | 41.3 | Very low | 159 Ų | 159 | 141.6 Ų | 141.6 | 85% | 0.85 | 82% | 0.817 | S | S | * | * | trans | -85.9 | 105 | 167.2 | -97 | -32.8 | 0 | 0 | 0 | 109.7 | ||||
| 59 | G | 42 | Very low | 41.8 | Very low | 70 Ų | 70 | 138.6 Ų | 138.6 | 72% | 0.722 | 82% | 0.818 | S | S | * | * | trans | -151.1 | 72.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | S57 C61 | S57-G59 PolarHBondContact O-N 2.89Å; G59-C61 PolarHBondContact O-N 3.42Å | ||
| 60 | K | 40.3 | Very low | 41.8 | Very low | 208 Ų | 208 | 141.7 Ų | 141.7 | 90% | 0.904 | 83% | 0.825 | S | S | * | * | trans | -51.3 | 113.9 | 173 | -84.6 | 167.4 | 167.8 | 160.7 | 0 | 111.8 | ||||
| 61 | C | 40 | Very low | 41.9 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 87% | 0.865 | 82% | 0.82 | S | S | * | * | trans | -119.5 | 127.5 | 152.7 | -162.5 | 0 | 0 | 0 | 0 | 109.3 | G59 | G59-C61 PolarHBondContact O-N 3.42Š| ||
| 62 | K | 46 | Very low | 42 | Very low | 197 Ų | 197 | 143 Ų | 143 | 86% | 0.857 | 82% | 0.817 | S | S | * | * | trans | -83 | 118.2 | -168.2 | -61.9 | 173.6 | 179 | 178.2 | 0 | 109.6 | ||||
| 63 | I | 44.8 | Very low | 42.6 | Very low | 171 Ų | 171 | 144 Ų | 144 | 88% | 0.877 | 81% | 0.814 | S | S | * | * | trans | -83.5 | 111.6 | 164.6 | -113.3 | 138.8 | 0 | 0 | 0 | 108.1 | ||||
| 64 | G | 43.4 | Very low | 42.5 | Very low | 69 Ų | 69 | 144.4 Ų | 144.4 | 71% | 0.711 | 82% | 0.816 | S | S | * | * | trans | -79.2 | 126 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 65 | K | 38.5 | Very low | 42.4 | Very low | 201 Ų | 201 | 146.5 Ų | 146.5 | 87% | 0.874 | 82% | 0.82 | S | S | * | * | trans | -65.9 | 126.4 | 171 | -65.1 | 178.4 | 174.9 | -176.2 | 0 | 109.5 | ||||
| 66 | L | 43.3 | Very low | 42.1 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 93% | 0.932 | 81% | 0.813 | S | S | * | * | trans | -128.1 | 126.5 | 155.7 | -74.3 | 177.3 | 0 | 0 | 0 | 108.1 | ||||
| 67 | A | 39 | Very low | 42.3 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 86% | 0.86 | 82% | 0.818 | S | S | * | * | trans | -93.1 | 149.1 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 68 | G | 35.8 | Very low | 42.1 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 94 | 100.5 | 148 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 69 | S | 44.6 | Very low | 42.2 | Very low | 131 Ų | 131 | 142 Ų | 142 | 92% | 0.916 | 81% | 0.809 | S | S | * | * | -170.4 | 142.9 | 117.4 | 34.1 | 0 | 0 | 0 | 0 | 110.6 | |||||
| 70 | E | 41.2 | Very low | 42.3 | Very low | 176 Ų | 176 | 147.3 Ų | 147.3 | 82% | 0.822 | 82% | 0.815 | S | S | * | * | trans | -89.7 | 169.9 | -169.9 | -175.2 | 176.2 | 142.5 | 0 | 0 | 111.2 | ||||
| 71 | Q | 39.7 | Very low | 42.4 | Very low | 173 Ų | 173 | 142.7 Ų | 142.7 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 91.5 | 135.1 | 175.2 | -56.8 | -174.9 | -19.3 | 0 | 0 | 115.7 | ||||
| 72 | D | 43.2 | Very low | 42.7 | Very low | 117 Ų | 117 | 142.5 Ų | 142.5 | 63% | 0.626 | 80% | 0.8 | S | S | * | * | cis | -179.5 | 140.9 | -20.5 | -118 | -1.1 | 0 | 0 | 0 | 104.2 | ||||
| 73 | N | 51.7 | Low | 42.4 | Very low | 128 Ų | 128 | 139.1 Ų | 139.1 | 68% | 0.684 | 80% | 0.795 | S | S | * | * | trans | 69.9 | 124.4 | 145.4 | -53.4 | -20.1 | 0 | 0 | 0 | 116.9 | ||||
| 74 | I | 43.5 | Very low | 42.4 | Very low | 163 Ų | 163 | 137.9 Ų | 137.9 | 84% | 0.836 | 80% | 0.796 | S | S | * | * | cis | -165.5 | 148.8 | 35 | -87.4 | 134.9 | 0 | 0 | 0 | 109.8 | ||||
| 75 | L | 42.6 | Very low | 42.4 | Very low | 154 Ų | 154 | 139.4 Ų | 139.4 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -76 | 150 | -177.9 | -168.4 | 75.5 | 0 | 0 | 0 | 114.1 | ||
| 76 | P | 40.6 | Very low | 42.7 | Very low | 117 Ų | 117 | 136.9 Ų | 136.9 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 136.4 | 169.9 | 33.7 | -29.4 | 0 | 0 | 0 | 111.9 | ||
| 77 | N | 44.3 | Very low | 43 | Very low | 161 Ų | 161 | 136.8 Ų | 136.8 | 86% | 0.861 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -92.3 | 141.7 | -175 | -164.7 | 19.3 | 0 | 0 | 0 | 112.2 | ||
| 78 | A | 38.9 | Very low | 43.6 | Very low | 80 Ų | 80 | 139.7 Ų | 139.7 | 66% | 0.661 | 78% | 0.782 | S | S | * | * | trans | -128.5 | 133.9 | 170.9 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 79 | H | 43.9 | Very low | 44 | Very low | 180 Ų | 180 | 144.6 Ų | 144.6 | 83% | 0.833 | 79% | 0.785 | S | S | * | * | trans | -168.8 | 129.8 | 152.3 | -121.8 | -86.1 | 0 | 0 | 0 | 112 | T81 | H79-T81 PolarHBondContact ND1-OG1 3.37Š| ||
| 80 | E | 42.8 | Very low | 44.4 | Very low | 181 Ų | 181 | 148.6 Ų | 148.6 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -117.1 | 129.3 | 165.4 | 174.4 | -175.6 | 178 | 0 | 0 | 106.9 | ||||
| 81 | T | 42.9 | Very low | 44.5 | Very low | 112 Ų | 112 | 149.9 Ų | 149.9 | 69% | 0.687 | 79% | 0.791 | S | S | * | * | trans | -165.6 | 109.3 | 160.1 | -11.7 | 0 | 0 | 0 | 0 | 113.6 | H79 | H79-T81 PolarHBondContact ND1-OG1 3.37Š| ||
| 82 | V | 45.9 | Very low | 44.8 | Very low | 124 Ų | 124 | 144.9 Ų | 144.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 38.5 | 124.2 | 130.5 | -176.8 | 0 | 0 | 0 | 0 | 123 | ||||
| 83 | T | 39.8 | Very low | 45.1 | Very low | 125 Ų | 125 | 145.4 Ų | 145.4 | 77% | 0.767 | 80% | 0.799 | S | S | * | * | trans | -12.3 | 148.9 | 156.6 | 60.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 84 | V | 45.1 | Very low | 45 | Very low | 146 Ų | 146 | 142.6 Ų | 142.6 | 89% | 0.885 | 79% | 0.794 | S | S | * | * | -158.2 | 139.4 | 128.6 | -178.5 | 0 | 0 | 0 | 0 | 111 | |||||
| 85 | S | 43.7 | Very low | 45.4 | Very low | 101 Ų | 101 | 141.7 Ų | 141.7 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -65.7 | -177.7 | 174.5 | -39.9 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 86 | D | 45.2 | Very low | 45.8 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | cis | -168.5 | 164.1 | 15 | -126 | -29.6 | 0 | 0 | 0 | 107.8 | ||||
| 87 | E | 49.7 | Very low | 46.1 | Very low | 175 Ų | 175 | 141.3 Ų | 141.3 | 82% | 0.818 | 79% | 0.789 | S | S | * | * | trans | 148.9 | 111.5 | 140.5 | -78.7 | -174 | -177.2 | 0 | 0 | 116.8 | ||||
| 88 | Q | 49.8 | Very low | 46.2 | Very low | 166 Ų | 166 | 142.3 Ų | 142.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | 70 | 107.9 | 136.5 | -65.1 | -155.3 | 29 | 0 | 0 | 125.4 | ||||
| 89 | E | 45.2 | Very low | 46.7 | Very low | 179 Ų | 179 | 143.9 Ų | 143.9 | 84% | 0.836 | 80% | 0.8 | S | S | * | * | 31.2 | 128.5 | 124.6 | -62.1 | -169.9 | 161.9 | 0 | 0 | 123.6 | |||||
| 90 | K | 51.9 | Low | 47.1 | Very low | 214 Ų | 214 | 140.9 Ų | 140.9 | 93% | 0.93 | 80% | 0.796 | S | S | * | * | -165.1 | 135.9 | 122 | -128.7 | 176.7 | -179.3 | 175.8 | 0 | 114.3 | |||||
| 91 | E | 43.4 | Very low | 47.2 | Very low | 203 Ų | 203 | 140.6 Ų | 140.6 | 95% | 0.949 | 80% | 0.795 | S | S | * | * | trans | -79.2 | 163.2 | -177.5 | -64.5 | -171.9 | 138.8 | 0 | 0 | 116.8 | ||||
| 92 | G | 47.7 | Very low | 47.6 | Very low | 68 Ų | 68 | 140 Ų | 140 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 166.2 | 100 | 155.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 93 | S | 48.9 | Very low | 47.9 | Very low | 128 Ų | 128 | 139.9 Ų | 139.9 | 90% | 0.895 | 79% | 0.791 | S | S | * | * | 60.9 | 128 | 78.1 | -168.8 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 94 | A | 49.6 | Very low | 48.4 | Very low | 70 Ų | 70 | 142 Ų | 142 | 58% | 0.579 | 79% | 0.792 | S | S | * | * | cis | -166.2 | 179.3 | 0.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 95 | D | 51.3 | Low | 48.3 | Very low | 143 Ų | 143 | 140 Ų | 140 | 77% | 0.765 | 78% | 0.78 | S | S | * | * | trans | 103.9 | 104.7 | 145.8 | -60.5 | -22.1 | 0 | 0 | 0 | 121.5 | ||||
| 96 | N | 52.2 | Low | 48.1 | Very low | 153 Ų | 153 | 140.6 Ų | 140.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 117.2 | 112.2 | 130.2 | -71.4 | -29.9 | 0 | 0 | 0 | 118.4 | ||||
| 97 | P | 45.9 | Very low | 48.1 | Very low | 111 Ų | 111 | 141.8 Ų | 141.8 | 72% | 0.721 | 79% | 0.787 | S | S | * | * | trans | -98.6 | 157.2 | 167 | 38 | -28.9 | 0 | 0 | 0 | 111.6 | ||||
| 98 | L | 47.3 | Very low | 47.6 | Very low | 181 Ų | 181 | 138.9 Ų | 138.9 | 95% | 0.948 | 79% | 0.786 | S | S | * | * | trans | -153.7 | 144.2 | 149.6 | -135.9 | 85 | 0 | 0 | 0 | 111 | ||||
| 99 | S | 48.6 | Very low | 47.3 | Very low | 113 Ų | 113 | 136.7 Ų | 136.7 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -85.6 | 177 | -152.9 | -67.1 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 100 | P | 51.5 | Low | 47.2 | Very low | 118 Ų | 118 | 134 Ų | 134 | 77% | 0.766 | 78% | 0.784 | S | S | * | * | trans | -104.5 | 168.3 | -169.3 | 39.6 | -28.9 | 0 | 0 | 0 | 113.5 | ||||
| 101 | E | 45.4 | Very low | 46.9 | Very low | 175 Ų | 175 | 131.8 Ų | 131.8 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -166.4 | 150.6 | 156.4 | -150.1 | 164.3 | 117.9 | 0 | 0 | 113.2 | ||||
| 102 | S | 51.6 | Low | 47 | Very low | 100 Ų | 100 | 126.6 Ų | 126.6 | 70% | 0.699 | 77% | 0.767 | S | S | * | * | trans | 97.6 | 127.2 | 157.5 | 73.4 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 103 | D | 53.2 | Low | 46.8 | Very low | 121 Ų | 121 | 131.1 Ų | 131.1 | 65% | 0.647 | 78% | 0.775 | S | S | * | * | cis | -177.3 | 145.4 | -10.9 | -94.8 | -26.2 | 0 | 0 | 0 | 107.9 | ||||
| 104 | E | 48.4 | Very low | 46.4 | Very low | 168 Ų | 168 | 132.7 Ų | 132.7 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 61.4 | 130 | 137.4 | -60.4 | -76 | 162.2 | 0 | 0 | 119.4 | ||||
| 105 | T | 42.9 | Very low | 46 | Very low | 105 Ų | 105 | 138.4 Ų | 138.4 | 64% | 0.644 | 79% | 0.785 | S | S | * | * | cis | -171 | 147.5 | 10.1 | -48.1 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 106 | P | 41 | Very low | 45.4 | Very low | 114 Ų | 114 | 138.4 Ų | 138.4 | 74% | 0.74 | 79% | 0.785 | S | S | * | * | trans | -109.5 | 141.3 | 171.8 | 35.8 | -25.4 | 0 | 0 | 0 | 112.7 | ||||
| 107 | L | 43.8 | Very low | 44.3 | Very low | 173 Ų | 173 | 136.9 Ų | 136.9 | 91% | 0.906 | 78% | 0.781 | S | S | * | * | trans | -163.5 | 108 | 164.8 | -98.7 | 164.3 | 0 | 0 | 0 | 112.1 | ||||
| 108 | S | 39.7 | Very low | 43.7 | Very low | 113 Ų | 113 | 135.8 Ų | 135.8 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -81.2 | 164.4 | 163.7 | -46.3 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 109 | P | 43.8 | Very low | 43.1 | Very low | 120 Ų | 120 | 135.2 Ų | 135.2 | 78% | 0.779 | 77% | 0.768 | S | S | * | * | -150.3 | 177.5 | 104.6 | 38.5 | -18.3 | 0 | 0 | 0 | 114.4 | |||||
| 110 | P | 42.8 | Very low | 42.4 | Very low | 122 Ų | 122 | 137.6 Ų | 137.6 | 79% | 0.792 | 77% | 0.767 | S | S | * | * | trans | -95.5 | 158.5 | -146 | 39.7 | -38.1 | 0 | 0 | 0 | 114 | ||||
| 111 | I | 46.8 | Very low | 41.4 | Very low | 169 Ų | 169 | 139.9 Ų | 139.9 | 87% | 0.867 | 77% | 0.773 | S | S | * | * | trans | -146.6 | 122 | 161.4 | -1.4 | 175.6 | 0 | 0 | 0 | 109.8 | ||||
| 112 | S | 43.7 | Very low | 40.7 | Very low | 94 Ų | 94 | 142 Ų | 142 | 66% | 0.657 | 78% | 0.775 | S | S | * | * | trans | -63.5 | 149.1 | 174.6 | 50.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 113 | D | 45 | Very low | 39.7 | Very low | 162 Ų | 162 | 141.7 Ų | 141.7 | 87% | 0.866 | 77% | 0.773 | S | S | * | * | -165.7 | 124.4 | 129.7 | -88.4 | -25.5 | 0 | 0 | 0 | 110.1 | |||||
| 114 | D | 39.2 | Very low | 38.6 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 86% | 0.861 | 79% | 0.785 | S | S | * | * | trans | -70.3 | 128.2 | 179.9 | -66.6 | -47.5 | 0 | 0 | 0 | 112.2 | ||||
| 115 | K | 42.4 | Very low | 37.7 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -171.3 | 107 | 138.4 | -127.3 | 170.8 | 174.2 | 179.9 | 0 | 113.2 | ||||
| 116 | L | 37.7 | Very low | 37.2 | Very low | 144 Ų | 144 | 148.3 Ų | 148.3 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 43.7 | 101.5 | 137.9 | -57.3 | 179.1 | 0 | 0 | 0 | 117.3 | ||||
| 117 | T | 29.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 151.2 Ų | 151.2 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | 50.8 | 126.2 | 98.3 | 62.9 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 118 | S | 34.5 | Very low | 36.3 | Very low | 87 Ų | 87 | 146.4 Ų | 146.4 | 61% | 0.608 | 79% | 0.793 | S | S | * | * | cis | 178 | 148.3 | 4.7 | 42.2 | 0 | 0 | 0 | 0 | 103.8 | ||||
| 119 | E | 33.7 | Very low | 35.8 | Very low | 169 Ų | 169 | 150.4 Ų | 150.4 | 79% | 0.79 | 80% | 0.799 | S | S | * | * | trans | 64.5 | 125 | 149.7 | -65.5 | 171.4 | 139.4 | 0 | 0 | 117.2 | ||||
| 120 | Q | 33.9 | Very low | 35.2 | Very low | 163 Ų | 163 | 153.3 Ų | 153.3 | 76% | 0.762 | 80% | 0.802 | S | S | * | * | cis | -153.4 | 123.2 | 18.9 | -62.5 | -168.9 | -26.5 | 0 | 0 | 107.8 | ||||
| 121 | N | 30.1 | Very low | 34.8 | Very low | 167 Ų | 167 | 154.2 Ų | 154.2 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -118.5 | 83.1 | 167.6 | -120.8 | -31.6 | 0 | 0 | 0 | 105.9 | ||||
| 122 | Y | 31.3 | Very low | 34.2 | Very low | 220 Ų | 220 | 156.6 Ų | 156.6 | 86% | 0.863 | 80% | 0.798 | S | S | * | * | trans | -104.4 | 98.8 | 168.2 | -84.6 | -78 | 0 | 0 | 0 | 108.7 | L124 | Y122-L124 PolarHBondContact O-N 3.15Š| ||
| 123 | S | 30.4 | Very low | 33.9 | Very low | 93 Ų | 93 | 160.2 Ų | 160.2 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | trans | -55.4 | 122.6 | 167.9 | -87 | 0 | 0 | 0 | 0 | 110.4 | R125 | S123-R125 PolarHBondContact O-N 3.25Å; S123-R125 VanDerWaalsContact O-N 3.08Å | ||
| 124 | L | 29.1 | Very low | 33.8 | Very low | 172 Ų | 172 | 159.3 Ų | 159.3 | 90% | 0.901 | 80% | 0.798 | S | S | * | * | trans | -70.5 | 93.3 | 168.2 | -168 | 149.5 | 0 | 0 | 0 | 108.3 | Y122 | Y122-L124 PolarHBondContact O-N 3.15Š| ||
| 125 | R | 30.7 | Very low | 33.9 | Very low | 205 Ų | 205 | 155.8 Ų | 155.8 | 77% | 0.774 | 79% | 0.791 | S | S | * | * | trans | -140.3 | 128.4 | 168.1 | -60.6 | -167.8 | -164.8 | -97.2 | 1.8 | 109.6 | S123 | S123-R125 PolarHBondContact O-N 3.25Å; S123-R125 VanDerWaalsContact O-N 3.08Å | ||
| 126 | D | 31.6 | Very low | 33.8 | Very low | 156 Ų | 156 | 150.5 Ų | 150.5 | 83% | 0.834 | 78% | 0.777 | S | S | * | * | trans | 75.3 | 71.7 | 159.9 | -50.1 | -24.7 | 0 | 0 | 0 | 119.1 | ||||
| 127 | I | 35.5 | Very low | 34.1 | Very low | 175 Ų | 175 | 148.1 Ų | 148.1 | 90% | 0.897 | 77% | 0.77 | S | S | * | * | trans | -122.5 | 124.2 | 147.5 | -63.1 | 177.3 | 0 | 0 | 0 | 108.4 | ||||
| 128 | G | 31.6 | Very low | 34.5 | Very low | 72 Ų | 72 | 152.1 Ų | 152.1 | 74% | 0.742 | 78% | 0.78 | S | S | * | * | trans | -51.1 | 135.8 | -163.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | E130 | G128-E130 PolarHBondContact O-N 3.41Š| ||
| 129 | Q | 29.6 | Very low | 35 | Very low | 197 Ų | 197 | 153.3 Ų | 153.3 | 92% | 0.921 | 78% | 0.78 | S | S | * | * | trans | -60.5 | 86.3 | 166.1 | 180 | -173.8 | -15.3 | 0 | 0 | 110.8 | ||||
| 130 | E | 30 | Very low | 35.6 | Very low | 180 Ų | 180 | 150 Ų | 150 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | -151.2 | 120.4 | 164.5 | -116.5 | 168.5 | -168.5 | 0 | 0 | 112.4 | G128 | G128-E130 PolarHBondContact O-N 3.41Š| ||
| 131 | N | 34.1 | Very low | 35.7 | Very low | 142 Ų | 142 | 147.6 Ų | 147.6 | 76% | 0.759 | 75% | 0.752 | S | S | * | * | trans | 76.1 | 28.2 | 154.2 | -94.7 | -5.7 | 0 | 0 | 0 | 123.5 | K133 | N131-K133 PolarHBondContact O-N 3.35Š| ||
| 132 | W | 35 | Very low | 36.2 | Very low | 218 Ų | 218 | 145.2 Ų | 145.2 | 83% | 0.826 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -78.6 | -7.3 | 176.5 | 70 | -85.3 | 0 | 0 | 0 | 116.7 | N134 | W132-N134 VanDerWaalsContact C-N 3.32Å; W132-N134 PolarHBondContact O-N 2.83Å |
| 133 | K | 38.1 | Very low | 36.8 | Very low | 170 Ų | 170 | 138.3 Ų | 138.3 | 74% | 0.739 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -75.2 | -9.5 | -170.5 | -73.6 | -173.3 | 175.7 | -177.9 | 0 | 116.1 | N131 | N131-K133 PolarHBondContact O-N 3.35Š|
| 134 | N | 41.9 | Very low | 37.5 | Very low | 143 Ų | 143 | 137.6 Ų | 137.6 | 77% | 0.765 | 71% | 0.709 | S | S | * | * | G | 310 helix | trans | -111.6 | -3.2 | -169.6 | -60.7 | -13.1 | 0 | 0 | 0 | 114.7 | W132 | W132-N134 VanDerWaalsContact C-N 3.32Å; W132-N134 PolarHBondContact O-N 2.83Å |
| 135 | A | 40.9 | Very low | 38 | Very low | 88 Ų | 88 | 130.4 Ų | 130.4 | 73% | 0.727 | 67% | 0.672 | S | S | * | * | S | Bend | trans | -92.6 | -6.2 | -173 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 136 | C | 40.2 | Very low | 38.6 | Very low | 79 Ų | 79 | 125.9 Ų | 125.9 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -129.7 | 110.2 | 179.4 | -92.6 | 0 | 0 | 0 | 0 | 110.5 | E138 | C136-E138 PolarHBondContact O-N 2.79Å; C136-E138 VanDerWaalsContact O-N 3.15Å |
| 137 | P | 44.9 | Very low | 39.2 | Very low | 93 Ų | 93 | 124.4 Ų | 124.4 | 60% | 0.604 | 65% | 0.652 | S | S | * | * | trans | -65.6 | 117.9 | 169.6 | 26.4 | -30.8 | 0 | 0 | 0 | 108.9 | N139 | P137-N139 VanDerWaalsContact C-N 3.29Å; P137-N139 PolarHBondContact O-N 3.01Å; P137-N139 PolarHBondContact O-OD1 3.46Å | ||
| 138 | E | 36.7 | Very low | 39.5 | Very low | 205 Ų | 205 | 118.1 Ų | 118.1 | 96% | 0.958 | 62% | 0.619 | S | S | * | * | trans | -66.3 | 82.7 | 173.6 | -161.1 | 169.1 | -150.3 | 0 | 0 | 108.6 | C136 | C136-E138 PolarHBondContact O-N 2.79Å; C136-E138 VanDerWaalsContact O-N 3.15Å | ||
| 139 | N | 46.2 | Very low | 39.8 | Very low | 113 Ų | 113 | 117.6 Ų | 117.6 | 60% | 0.604 | 60% | 0.602 | S | S | * | * | trans | -128.4 | 109.2 | -174.8 | 63.6 | 15.6 | 0 | 0 | 0 | 114.5 | P137 W141 | P137-N139 VanDerWaalsContact C-N 3.29Å; P137-N139 PolarHBondContact O-N 3.01Å; P137-N139 PolarHBondContact O-OD1 3.46Å; N139-W141 PolarHBondContact O-N 3.01Å; N139-W141 VanDerWaalsContact O-N 3.13Å | ||
| 140 | N | 46 | Very low | 40.2 | Very low | 100 Ų | 100 | 111.7 Ų | 111.7 | 54% | 0.535 | 58% | 0.58 | S | S | . | * | trans | 43.4 | 54.2 | 147.8 | -166.1 | 3.8 | 0 | 0 | 0 | 117.8 | N142 N143 | N140-N142 PolarHBondContact O-N 3.37Å; N140-N143 WeakPolarHBondContact ND2-CB 3.46Å; N140-N143 PolarHBondContact ND2-ND2 3.1Å; N140-N143 PolarHBondContact O-N 2.68Å; N140-N143 WeakPolarHBondContact OD1-CB 3.42Å; N140-N143 PolarHBondContact OD1-N 3.34Å | ||
| 141 | W | 36.6 | Very low | 40.5 | Very low | 112 Ų | 112 | 108 Ų | 108 | 42% | 0.424 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -55.2 | -37.5 | 172.3 | 176.9 | -107 | 0 | 0 | 0 | 113 | N139 N143 T144 V145 F227 S229 | N139-W141 PolarHBondContact O-N 3.01Å; N139-W141 VanDerWaalsContact O-N 3.13Å; W141-N143 VanDerWaalsContact C-N 3.31Å; W141-N143 PolarHBondContact O-N 2.89Å; W141-T144 PolarHBondContact O-N 2.81Å; W141-V145 HydrophobicContact CD2-CG2 3.79Å; W141-V145 HydrophobicContact CE3-CG2 4.35Å; W141-V145 HydrophobicContact CG-CG2 4.29Å; W141-V145 HydrophobicContact CH2-CG2 3.92Å; W141-V145 HydrophobicContact CZ2-CG2 3.26Å; W141-V145 HydrophobicContact CZ3-CG2 4.42Å; W141-V145 PolarHBondContact O-N 3.4Å; W141-V145 VanDerWaalsContact O-N 3.16Å; W141-F227 HydrophobicContact CH2-CE1 4.04Å; W141-F227 HydrophobicContact CH2-CZ 4.18Å; W141-F227 HydrophobicContact CZ2-CD1 4.37Å; W141-F227 AromaticContact CZ2-CE1 3.48Å; W141-F227 HydrophobicContact CZ2-CE1 3.48Å; W141-F227 VanDerWaalsContact CZ2-CE1 3.48Å; W141-F227 AromaticContact CZ2-CZ 3.89Å; W141-F227 HydrophobicContact CZ2-CZ 3.89Å; W141-S229 VanDerWaalsContact CH2-OG 3.23Å; W141-S229 WeakPolarHBondContact CH2-OG 3.35Å; W141-S229 WeakPolarHBondContact CZ2-OG 3.27Å |
| 142 | N | 40.3 | Very low | 40.6 | Very low | 116 Ų | 116 | 103.9 Ų | 103.9 | 62% | 0.62 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -60.6 | -36.3 | -177.7 | -71.7 | -7.7 | 0 | 0 | 0 | 112.8 | N140 N146 | N140-N142 PolarHBondContact O-N 3.37Å; N142-N146 WeakPolarHBondContact O-CB 3.36Å; N142-N146 PolarHBondContact O-N 3.36Å; N142-N146 VanDerWaalsContact O-N 3.11Å; N142-N146 PolarHBondContact O-ND2 2.92Å |
| 143 | N | 43.9 | Very low | 40.7 | Very low | 75 Ų | 75 | 99.2 Ų | 99.2 | 40% | 0.401 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -70 | -43.1 | 179.5 | -178.7 | 6 | 0 | 0 | 0 | 112.5 | N140 W141 Q147 | N140-N143 WeakPolarHBondContact ND2-CB 3.46Å; N140-N143 PolarHBondContact ND2-ND2 3.1Å; N140-N143 PolarHBondContact O-N 2.68Å; N140-N143 WeakPolarHBondContact OD1-CB 3.42Å; N140-N143 PolarHBondContact OD1-N 3.34Å; W141-N143 VanDerWaalsContact C-N 3.31Å; W141-N143 PolarHBondContact O-N 2.89Å; N143-Q147 WeakPolarHBondContact O-CG 3.2Å; N143-Q147 PolarHBondContact O-N 2.93Å; N143-Q147 PolarHBondContact OD1-NE2 2.89Å |
| 144 | T | 45.4 | Very low | 40.7 | Very low | 79 Ų | 79 | 101 Ų | 101 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68.4 | -43.7 | -177.8 | -54.2 | 0 | 0 | 0 | 0 | 111.4 | W141 Q147 I148 | W141-T144 PolarHBondContact O-N 2.81Å; T144-Q147 PolarHBondContact O-N 3.03Å; T144-I148 HydrophobicContact CG2-CD1 3.98Å; T144-I148 WeakPolarHBondContact O-CD1 3.22Å; T144-I148 VanDerWaalsContact O-CG1 3.31Å; T144-I148 WeakPolarHBondContact O-CG1 3.32Å; T144-I148 PolarHBondContact O-N 3.48Å |
| 145 | V | 40 | Very low | 40.4 | Very low | 21 Ų | 21 | 97.8 Ų | 97.8 | 13% | 0.127 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -65.3 | -43.2 | 177.4 | 176 | 0 | 0 | 0 | 0 | 111.4 | W141 Q147 I148 V149 | W141-V145 HydrophobicContact CD2-CG2 3.79Å; W141-V145 HydrophobicContact CE3-CG2 4.35Å; W141-V145 HydrophobicContact CG-CG2 4.29Å; W141-V145 HydrophobicContact CH2-CG2 3.92Å; W141-V145 HydrophobicContact CZ2-CG2 3.26Å; W141-V145 HydrophobicContact CZ3-CG2 4.42Å; W141-V145 PolarHBondContact O-N 3.4Å; W141-V145 VanDerWaalsContact O-N 3.16Å; V145-Q147 PolarHBondContact O-N 3.47Å; V145-I148 PolarHBondContact O-N 2.9Å; V145-V149 HydrophobicContact CG1-CG2 4Å; V145-V149 WeakPolarHBondContact O-CG2 3.44Å; V145-V149 PolarHBondContact O-N 2.88Å |
| 146 | N | 41.7 | Very low | 40.3 | Very low | 110 Ų | 110 | 99.6 Ų | 99.6 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.5 | -22.4 | 178.3 | -71.6 | -16.9 | 0 | 0 | 0 | 113.3 | N142 P150 | N142-N146 WeakPolarHBondContact O-CB 3.36Å; N142-N146 PolarHBondContact O-N 3.36Å; N142-N146 VanDerWaalsContact O-N 3.11Å; N142-N146 PolarHBondContact O-ND2 2.92Å; N146-P150 WeakPolarHBondContact O-CD 3.21Å; N146-P150 WeakPolarHBondContact O-CG 3.33Å |
| 147 | Q | 45.6 | Very low | 39.9 | Very low | 125 Ų | 125 | 99 Ų | 99 | 58% | 0.584 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -85 | -24.1 | 172.8 | -73 | -167.9 | 67.3 | 0 | 0 | 113.9 | N143 T144 V145 | N143-Q147 WeakPolarHBondContact O-CG 3.2Å; N143-Q147 PolarHBondContact O-N 2.93Å; N143-Q147 PolarHBondContact OD1-NE2 2.89Å; T144-Q147 PolarHBondContact O-N 3.03Å; V145-Q147 PolarHBondContact O-N 3.47Å |
| 148 | I | 40.7 | Very low | 39.3 | Very low | 42 Ų | 42 | 103.7 Ų | 103.7 | 22% | 0.215 | 54% | 0.541 | C | S | . | . | H | α-helix | trans | -83.2 | -40.4 | -179.8 | -65.2 | 164.9 | 0 | 0 | 0 | 110.7 | T144 V145 N151 V152 | T144-I148 HydrophobicContact CG2-CD1 3.98Å; T144-I148 WeakPolarHBondContact O-CD1 3.22Å; T144-I148 VanDerWaalsContact O-CG1 3.31Å; T144-I148 WeakPolarHBondContact O-CG1 3.32Å; T144-I148 PolarHBondContact O-N 3.48Å; V145-I148 PolarHBondContact O-N 2.9Å; I148-N151 PolarHBondContact O-N 2.94Å; I148-N151 VanDerWaalsContact O-N 3.14Å; I148-V152 HydrophobicContact CG2-CG2 4.26Å; I148-V152 PolarHBondContact O-N 2.93Å |
| 149 | V | 38.5 | Very low | 39.1 | Very low | 62 Ų | 62 | 100 Ų | 100 | 38% | 0.376 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -55 | -45 | -176.6 | 171.1 | 0 | 0 | 0 | 0 | 113.6 | V145 N151 I153 | V145-V149 HydrophobicContact CG1-CG2 4Å; V145-V149 WeakPolarHBondContact O-CG2 3.44Å; V145-V149 PolarHBondContact O-N 2.88Å; V149-N151 PolarHBondContact O-N 3.33Å; V149-I153 HydrophobicContact CG1-CD1 4.26Å; V149-I153 WeakPolarHBondContact O-CD1 3.36Å; V149-I153 WeakPolarHBondContact O-CG1 3.21Å |
| 150 | P | 37.4 | Very low | 38.7 | Very low | 72 Ų | 72 | 103.4 Ų | 103.4 | 47% | 0.468 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -72.7 | -29.2 | 179.4 | -16 | 30.2 | 0 | 0 | 0 | 113.4 | N146 I153 R154 | N146-P150 WeakPolarHBondContact O-CD 3.21Å; N146-P150 WeakPolarHBondContact O-CG 3.33Å; P150-I153 PolarHBondContact O-N 3.44Å; P150-R154 WeakPolarHBondContact O-CB 3.47Å; P150-R154 PolarHBondContact O-N 3.14Å |
| 151 | N | 36.4 | Very low | 37.9 | Very low | 103 Ų | 103 | 104.5 Ų | 104.5 | 55% | 0.551 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -73.6 | -30.5 | -176.8 | -91.7 | -21.5 | 0 | 0 | 0 | 112.6 | I148 V149 S155 | I148-N151 PolarHBondContact O-N 2.94Å; I148-N151 VanDerWaalsContact O-N 3.14Å; V149-N151 PolarHBondContact O-N 3.33Å; N151-S155 PolarHBondContact O-N 3.4Å; N151-S155 PolarHBondContact O-OG 3.21Å |
| 152 | V | 36.6 | Very low | 37.8 | Very low | 55 Ų | 55 | 110.5 Ų | 110.5 | 33% | 0.333 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -72.9 | -33.5 | 174.3 | 178.7 | 0 | 0 | 0 | 0 | 111.3 | I148 S155 | I148-V152 HydrophobicContact CG2-CG2 4.26Å; I148-V152 PolarHBondContact O-N 2.93Å; V152-S155 PolarHBondContact O-OG 3.49Å |
| 153 | I | 36.6 | Very low | 37.5 | Very low | 120 Ų | 120 | 111.8 Ų | 111.8 | 62% | 0.615 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -72.8 | -37.2 | 176.5 | -61.9 | 168.2 | 0 | 0 | 0 | 110.8 | V149 P150 S155 H156 | V149-I153 HydrophobicContact CG1-CD1 4.26Å; V149-I153 WeakPolarHBondContact O-CD1 3.36Å; V149-I153 WeakPolarHBondContact O-CG1 3.21Å; P150-I153 PolarHBondContact O-N 3.44Å; I153-S155 VanDerWaalsContact C-N 3.31Å; I153-S155 PolarHBondContact O-N 3.37Å; I153-H156 PolarHBondContact O-N 3.39Å |
| 154 | R | 37.9 | Very low | 37.1 | Very low | 208 Ų | 208 | 116.9 Ų | 116.9 | 79% | 0.785 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -67.8 | -26.4 | 179.7 | -177.1 | 174.1 | -101.9 | -176.3 | -6.7 | 113.5 | P150 H156 | P150-R154 WeakPolarHBondContact O-CB 3.47Å; P150-R154 PolarHBondContact O-N 3.14Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-H156 PolarHBondContact O-N 2.92Å |
| 155 | S | 36.5 | Very low | 36.5 | Very low | 76 Ų | 76 | 116.2 Ų | 116.2 | 53% | 0.531 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -1.2 | -179 | 51.3 | 0 | 0 | 0 | 0 | 115.4 | N151 V152 I153 | N151-S155 PolarHBondContact O-N 3.4Å; N151-S155 PolarHBondContact O-OG 3.21Å; V152-S155 PolarHBondContact O-OG 3.49Å; I153-S155 VanDerWaalsContact C-N 3.31Å; I153-S155 PolarHBondContact O-N 3.37Å |
| 156 | H | 38 | Very low | 36.2 | Very low | 125 Ų | 125 | 120.9 Ų | 120.9 | 58% | 0.579 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.4 | 11.6 | 177.8 | -78.3 | -78 | 0 | 0 | 0 | 113.8 | I153 R154 | I153-H156 PolarHBondContact O-N 3.39Å; R154-H156 VanDerWaalsContact C-N 3.31Å; R154-H156 PolarHBondContact O-N 2.92Å |
| 157 | G | 32 | Very low | 36.1 | Very low | 66 Ų | 66 | 125 Ų | 125 | 68% | 0.68 | 67% | 0.667 | S | S | * | * | trans | -88.4 | 7.1 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 158 | E | 32.8 | Very low | 35.7 | Very low | 192 Ų | 192 | 126 Ų | 126 | 90% | 0.897 | 67% | 0.672 | S | S | * | * | trans | -102.3 | 72 | 177.5 | -65.5 | -178.5 | -173.5 | 0 | 0 | 109.5 | ||||
| 159 | T | 32.1 | Very low | 35.4 | Very low | 128 Ų | 128 | 131.8 Ų | 131.8 | 79% | 0.785 | 70% | 0.696 | S | S | * | * | trans | -143.9 | 99.7 | 164.4 | -51.9 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 160 | E | 38.1 | Very low | 35.6 | Very low | 184 Ų | 184 | 136.8 Ų | 136.8 | 86% | 0.86 | 72% | 0.72 | S | S | * | * | trans | 4 | 104.6 | 158.4 | -56.6 | -176.1 | 166 | 0 | 0 | 119.5 | ||||
| 161 | V | 28.4 | Very low | 35.9 | Very low | 124 Ų | 124 | 143 Ų | 143 | 75% | 0.752 | 74% | 0.74 | S | S | * | * | trans | 16.2 | 117 | 137.5 | -171 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 162 | Y | 34.3 | Very low | 36 | Very low | 238 Ų | 238 | 144 Ų | 144 | 93% | 0.933 | 75% | 0.753 | S | S | * | * | trans | -135.7 | 118.5 | 132.5 | -94.1 | -84.9 | 0 | 0 | 0 | 110.1 | ||||
| 163 | N | 33.5 | Very low | 36.3 | Very low | 143 Ų | 143 | 148.4 Ų | 148.4 | 77% | 0.765 | 78% | 0.779 | S | S | * | * | trans | -88.8 | 120.3 | -175.6 | -166.6 | 17.3 | 0 | 0 | 0 | 109.4 | ||||
| 164 | M | 36 | Very low | 36.2 | Very low | 181 Ų | 181 | 151.8 Ų | 151.8 | 89% | 0.892 | 79% | 0.792 | S | S | * | * | trans | -130.2 | 76 | 166.3 | -126.6 | 175.2 | -68.6 | 0 | 0 | 108.6 | ||||
| 165 | G | 33.9 | Very low | 36.5 | Very low | 65 Ų | 65 | 147.6 Ų | 147.6 | 67% | 0.67 | 80% | 0.795 | S | S | * | * | trans | -71.7 | 121.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 166 | S | 33.9 | Very low | 36.7 | Very low | 119 Ų | 119 | 152 Ų | 152 | 83% | 0.832 | 81% | 0.812 | S | S | * | * | trans | -84.9 | 121.6 | 164.8 | 52 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 167 | H | 38.3 | Very low | 37 | Very low | 196 Ų | 196 | 149.6 Ų | 149.6 | 91% | 0.907 | 82% | 0.821 | S | S | * | * | trans | -114.8 | 136.2 | 165.4 | -103.2 | -77.7 | 0 | 0 | 0 | 110.2 | ||||
| 168 | E | 37.9 | Very low | 37.4 | Very low | 146 Ų | 146 | 154 Ų | 154 | 68% | 0.682 | 83% | 0.829 | S | S | * | * | trans | -79.9 | 149.4 | -166.2 | -173.3 | -175.2 | 166 | 0 | 0 | 113.2 | ||||
| 169 | K | 35 | Very low | 37.7 | Very low | 164 Ų | 164 | 154.1 Ų | 154.1 | 71% | 0.713 | 83% | 0.83 | S | S | * | * | trans | 65.1 | 111.9 | 161.1 | -78.3 | 158.4 | -177.6 | 156.9 | 0 | 118.1 | ||||
| 170 | N | 41.1 | Very low | 37.9 | Very low | 168 Ų | 168 | 157.1 Ų | 157.1 | 90% | 0.898 | 83% | 0.832 | S | S | * | * | -167.3 | 140 | 126.7 | -79.7 | -37 | 0 | 0 | 0 | 109.8 | |||||
| 171 | K | 45.4 | Very low | 38 | Very low | 201 Ų | 201 | 152.4 Ų | 152.4 | 87% | 0.874 | 82% | 0.819 | S | S | * | * | trans | -61.7 | 155.9 | -171.1 | -64.5 | -165.8 | -165.5 | -172.4 | 0 | 114.3 | ||||
| 172 | P | 38.3 | Very low | 38.7 | Very low | 126 Ų | 126 | 154 Ų | 154 | 82% | 0.818 | 82% | 0.824 | S | S | * | * | trans | -85.5 | 143.7 | -177.6 | 35.2 | -31.8 | 0 | 0 | 0 | 112.2 | ||||
| 173 | V | 41.7 | Very low | 38.7 | Very low | 146 Ų | 146 | 147 Ų | 147 | 89% | 0.885 | 82% | 0.815 | S | S | * | * | trans | -118.4 | 128.5 | 161.2 | 163.3 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 174 | E | 34.4 | Very low | 39 | Very low | 192 Ų | 192 | 148.2 Ų | 148.2 | 90% | 0.897 | 82% | 0.819 | S | S | * | * | trans | -59.1 | 145.2 | -178.5 | -67.2 | 169.5 | 149.4 | 0 | 0 | 113.1 | ||||
| 175 | S | 44.9 | Very low | 38.9 | Very low | 120 Ų | 120 | 146.8 Ų | 146.8 | 84% | 0.839 | 82% | 0.815 | S | S | * | * | trans | -162.3 | 114.7 | 148.2 | 178.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 176 | D | 40.9 | Very low | 39.2 | Very low | 168 Ų | 168 | 151.6 Ų | 151.6 | 90% | 0.898 | 82% | 0.824 | S | S | * | * | trans | -54.4 | 155.1 | 168.8 | -81.5 | -44.9 | 0 | 0 | 0 | 113.9 | ||||
| 177 | G | 43.2 | Very low | 39.1 | Very low | 74 Ų | 74 | 152.4 Ų | 152.4 | 76% | 0.763 | 82% | 0.819 | S | S | * | * | trans | 165.1 | 83.2 | 166.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 178 | D | 40.5 | Very low | 39.1 | Very low | 158 Ų | 158 | 149.4 Ų | 149.4 | 85% | 0.845 | 82% | 0.815 | S | S | * | * | trans | -36.2 | 132.7 | 171.2 | -59.1 | -53.5 | 0 | 0 | 0 | 116.8 | ||||
| 179 | Q | 39.2 | Very low | 39.1 | Very low | 196 Ų | 196 | 149.2 Ų | 149.2 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -165.3 | 118.3 | 131.5 | -127.2 | 167.2 | -64.1 | 0 | 0 | 115.9 | ||||
| 180 | K | 37.9 | Very low | 39.8 | Very low | 191 Ų | 191 | 146.7 Ų | 146.7 | 83% | 0.83 | 82% | 0.819 | S | S | * | * | trans | -58.8 | 156.4 | 159.7 | 178.4 | 170.8 | -178.5 | 178.5 | 0 | 111 | ||||
| 181 | S | 39.1 | Very low | 39.8 | Very low | 84 Ų | 84 | 142.8 Ų | 142.8 | 59% | 0.587 | 80% | 0.802 | S | S | * | * | cis | -160.8 | 168.9 | 18.4 | 37.3 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 182 | D | 44.3 | Very low | 39.2 | Very low | 159 Ų | 159 | 138 Ų | 138 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | -175.8 | 146.8 | 84.2 | -82.5 | -29.9 | 0 | 0 | 0 | 111.7 | |||||
| 183 | A | 33 | Very low | 39.2 | Very low | 91 Ų | 91 | 141.4 Ų | 141.4 | 75% | 0.752 | 79% | 0.792 | S | S | * | * | trans | -86.5 | 151.6 | -171.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 184 | I | 40.5 | Very low | 38.7 | Very low | 167 Ų | 167 | 141.7 Ų | 141.7 | 86% | 0.856 | 79% | 0.788 | S | S | * | * | trans | -138.5 | 110.9 | 147.8 | -56.9 | -178.6 | 0 | 0 | 0 | 108.7 | ||||
| 185 | L | 32.9 | Very low | 38.5 | Very low | 151 Ų | 151 | 140.5 Ų | 140.5 | 79% | 0.791 | 79% | 0.786 | S | S | * | * | trans | -85.7 | 136.1 | 168.6 | -110.7 | 167.3 | 0 | 0 | 0 | 108.7 | ||||
| 186 | L | 41 | Very low | 37.8 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 87% | 0.874 | 78% | 0.777 | S | S | * | * | trans | -133.4 | 107.5 | 153.7 | -85.5 | 173.3 | 0 | 0 | 0 | 109.1 | ||||
| 187 | D | 31.8 | Very low | 37.3 | Very low | 135 Ų | 135 | 136 Ų | 136 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -88.8 | 123.9 | 172 | 171.3 | 27.8 | 0 | 0 | 0 | 108.3 | ||||
| 188 | T | 38.8 | Very low | 36.6 | Very low | 133 Ų | 133 | 138.8 Ų | 138.8 | 82% | 0.816 | 77% | 0.765 | S | S | * | * | trans | -160.1 | 93.8 | 162.2 | -56.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 189 | D | 38.1 | Very low | 36.4 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 76% | 0.758 | S | S | * | * | trans | -91.3 | 173.9 | 155.6 | -110.7 | -4.2 | 0 | 0 | 0 | 108.6 | ||||
| 190 | P | 48.1 | Very low | 35.9 | Very low | 110 Ų | 110 | 134.4 Ų | 134.4 | 71% | 0.714 | 74% | 0.743 | S | S | * | * | cis | -141.8 | -146.8 | 1.1 | 38.4 | -13 | 0 | 0 | 0 | 110.3 | ||||
| 191 | P | 42.2 | Very low | 35.6 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 56% | 0.558 | 74% | 0.741 | S | S | * | * | cis | -133.3 | 168.5 | -10.4 | 36.4 | -15.3 | 0 | 0 | 0 | 117.1 | Y193 | P191-Y193 HydrophobicContact CG-CE2 4.5Š| ||
| 192 | S | 31.8 | Very low | 35.3 | Very low | 100 Ų | 100 | 134.3 Ų | 134.3 | 70% | 0.699 | 74% | 0.744 | S | S | * | * | trans | -57.8 | 133.6 | 168.3 | 45.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 193 | Y | 38.5 | Very low | 34.7 | Very low | 199 Ų | 199 | 133.8 Ų | 133.8 | 78% | 0.78 | 74% | 0.737 | S | S | * | * | trans | -129.9 | 92.2 | 151.3 | -58.4 | -81.4 | 0 | 0 | 0 | 106.2 | P191 | P191-Y193 HydrophobicContact CG-CE2 4.5Š| ||
| 194 | L | 31.6 | Very low | 34.9 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 80% | 0.796 | 75% | 0.746 | S | S | * | * | 53.1 | 88.4 | 97.9 | -67.8 | 177.4 | 0 | 0 | 0 | 113.5 | |||||
| 195 | I | 31.3 | Very low | 34.4 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -112.6 | 100.3 | 146 | -57.3 | 176.8 | 0 | 0 | 0 | 104.9 | ||||
| 196 | S | 28.7 | Very low | 34.6 | Very low | 91 Ų | 91 | 133.9 Ų | 133.9 | 64% | 0.636 | 73% | 0.733 | S | S | * | * | trans | -94 | 136.5 | -180 | -176.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 197 | S | 30.1 | Very low | 34.4 | Very low | 101 Ų | 101 | 136 Ų | 136 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | 55.7 | 141.2 | 146.7 | -69.5 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 198 | N | 29.8 | Very low | 34.4 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 72% | 0.717 | 74% | 0.739 | S | S | * | * | cis | -174.7 | 149.2 | 28.7 | 38.8 | 5.9 | 0 | 0 | 0 | 103.3 | ||||
| 199 | E | 36.1 | Very low | 34.2 | Very low | 149 Ų | 149 | 136.5 Ų | 136.5 | 70% | 0.696 | 74% | 0.735 | S | S | * | * | 157.9 | 99.1 | 81.9 | -164 | 154.6 | -151.2 | 0 | 0 | 103.3 | |||||
| 200 | N | 28 | Very low | 34.3 | Very low | 113 Ų | 113 | 137.7 Ų | 137.7 | 60% | 0.604 | 74% | 0.737 | S | S | * | * | 78 | 137.6 | 105.3 | 92.5 | 8.4 | 0 | 0 | 0 | 115.3 | |||||
| 201 | L | 32.4 | Very low | 33.5 | Very low | 149 Ų | 149 | 138.6 Ų | 138.6 | 78% | 0.78 | 74% | 0.735 | S | S | * | * | trans | 76.4 | 131 | 154.5 | -52.8 | 180 | 0 | 0 | 0 | 116.5 | ||||
| 202 | N | 32.6 | Very low | 33.3 | Very low | 124 Ų | 124 | 140.2 Ų | 140.2 | 66% | 0.663 | 75% | 0.746 | S | S | * | * | cis | -170.8 | 138.8 | 6.8 | -173.8 | 42.9 | 0 | 0 | 0 | 108 | ||||
| 203 | E | 30.9 | Very low | 33.5 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 69% | 0.687 | 75% | 0.747 | S | S | * | * | trans | 57.6 | 103.9 | 141.2 | -163.3 | 169.6 | -156.3 | 0 | 0 | 120.2 | ||||
| 204 | F | 36.8 | Very low | 33.5 | Very low | 217 Ų | 217 | 137 Ų | 137 | 95% | 0.952 | 74% | 0.742 | S | S | * | * | -145.2 | 98.5 | 129.3 | -116.3 | -80.3 | 0 | 0 | 0 | 109.6 | |||||
| 205 | D | 31.3 | Very low | 33.8 | Very low | 125 Ų | 125 | 136.8 Ų | 136.8 | 67% | 0.668 | 74% | 0.742 | S | S | * | * | trans | -74.2 | 139.1 | 169.4 | -166.5 | 7.6 | 0 | 0 | 0 | 109.4 | ||||
| 206 | G | 36.1 | Very low | 34.2 | Very low | 69 Ų | 69 | 136.4 Ų | 136.4 | 71% | 0.711 | 74% | 0.742 | S | S | * | * | trans | -164.1 | 57.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 207 | Y | 37.4 | Very low | 34.5 | Very low | 211 Ų | 211 | 140.6 Ų | 140.6 | 83% | 0.827 | 76% | 0.756 | S | S | * | * | trans | 27.3 | 114.3 | 156.9 | -71.7 | -81.8 | 0 | 0 | 0 | 120.2 | ||||
| 208 | I | 31 | Very low | 34.6 | Very low | 174 Ų | 174 | 145.5 Ų | 145.5 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | -56.6 | 134.3 | 160.6 | -62.8 | 165.1 | 0 | 0 | 0 | 112.1 | ||||
| 209 | S | 36.2 | Very low | 34.8 | Very low | 105 Ų | 105 | 143.3 Ų | 143.3 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -176.4 | 137.3 | 150.8 | 166.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 210 | E | 39.1 | Very low | 34.6 | Very low | 169 Ų | 169 | 142.8 Ų | 142.8 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | -169.4 | 124.6 | -7.4 | -179.8 | 171.4 | -173.4 | 0 | 0 | 103.3 | ||||
| 211 | N | 31.1 | Very low | 34.8 | Very low | 128 Ų | 128 | 143.3 Ų | 143.3 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | trans | 18 | 114.5 | 165.1 | -166.1 | 37.2 | 0 | 0 | 0 | 120.3 | ||||
| 212 | P | 38.1 | Very low | 34.9 | Very low | 121 Ų | 121 | 140.1 Ų | 140.1 | 79% | 0.786 | 75% | 0.75 | S | S | * | * | trans | -110.1 | 95 | 151.2 | 34.3 | -21.2 | 0 | 0 | 0 | 109.9 | S214 | P212-S214 PolarHBondContact O-N 2.93Š| ||
| 213 | N | 35.7 | Very low | 35.3 | Very low | 133 Ų | 133 | 141.1 Ų | 141.1 | 71% | 0.711 | 75% | 0.75 | S | S | * | * | trans | 17.9 | 98.9 | 145.6 | -46.3 | -11.8 | 0 | 0 | 0 | 115.3 | ||||
| 214 | S | 38.5 | Very low | 35.7 | Very low | 98 Ų | 98 | 142.2 Ų | 142.2 | 69% | 0.685 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -56.7 | 146.3 | 159.1 | 57.4 | 0 | 0 | 0 | 0 | 109.5 | P212 | P212-S214 PolarHBondContact O-N 2.93Š|
| 215 | D | 37.8 | Very low | 36.2 | Very low | 148 Ų | 148 | 136 Ų | 136 | 79% | 0.791 | 73% | 0.729 | S | S | * | * | S | Bend | trans | 125.5 | 13.1 | 162.6 | -55.6 | -9.3 | 0 | 0 | 0 | 116.2 | ||
| 216 | N | 39.6 | Very low | 36.6 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 85% | 0.85 | 72% | 0.723 | S | S | * | * | trans | -136.6 | 11.9 | 173.2 | -115.7 | -1.5 | 0 | 0 | 0 | 117.2 | K218 | N216-K218 PolarHBondContact O-N 2.92Å; N216-K218 VanDerWaalsContact O-N 3.1Å | ||
| 217 | L | 35.4 | Very low | 36.9 | Very low | 178 Ų | 178 | 134 Ų | 134 | 93% | 0.932 | 70% | 0.699 | S | S | * | * | trans | -86 | 82 | 171.3 | -69.2 | 175.9 | 0 | 0 | 0 | 109.9 | S219 | L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 3.4Å | ||
| 218 | K | 33.9 | Very low | 37 | Very low | 204 Ų | 204 | 127.1 Ų | 127.1 | 89% | 0.887 | 68% | 0.676 | S | S | * | * | trans | -54.4 | 102 | 160.2 | -163.6 | 168.2 | -173.7 | 173.8 | 0 | 106.8 | N216 N220 | N216-K218 PolarHBondContact O-N 2.92Å; N216-K218 VanDerWaalsContact O-N 3.1Å; K218-N220 VanDerWaalsContact C-N 3.31Å; K218-N220 PolarHBondContact O-N 2.73Å | ||
| 219 | S | 33.9 | Very low | 37.7 | Very low | 89 Ų | 89 | 120.9 Ų | 120.9 | 62% | 0.622 | 65% | 0.648 | S | S | * | * | trans | -49.7 | 90.6 | 179.4 | 179.3 | 0 | 0 | 0 | 0 | 110.3 | L217 I221 | L217-S219 VanDerWaalsContact C-N 3.32Å; L217-S219 PolarHBondContact O-N 3.4Å; S219-I221 PolarHBondContact O-N 2.91Å; S219-I221 WeakPolarHBondContact OG-CD1 3.45Å; S219-I221 VanDerWaalsContact OG-CG1 3.25Å; S219-I221 WeakPolarHBondContact OG-CG1 3.44Å | ||
| 220 | N | 30.4 | Very low | 38.1 | Very low | 138 Ų | 138 | 117.8 Ų | 117.8 | 74% | 0.738 | 63% | 0.626 | S | S | * | * | trans | -84.8 | 73.3 | 164.4 | -165.6 | 11.6 | 0 | 0 | 0 | 105.5 | K218 V222 | K218-N220 VanDerWaalsContact C-N 3.31Å; K218-N220 PolarHBondContact O-N 2.73Å; N220-V222 HydrophobicContact CB-CG2 4.47Å; N220-V222 PolarHBondContact O-N 3.37Å | ||
| 221 | I | 31.8 | Very low | 38.2 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 63% | 0.631 | 61% | 0.611 | S | S | * | * | trans | -65.3 | 87.7 | 163.2 | -70.7 | 158.7 | 0 | 0 | 0 | 104.9 | S219 H223 | S219-I221 PolarHBondContact O-N 2.91Å; S219-I221 WeakPolarHBondContact OG-CD1 3.45Å; S219-I221 VanDerWaalsContact OG-CG1 3.25Å; S219-I221 WeakPolarHBondContact OG-CG1 3.44Å; I221-H223 PolarHBondContact O-N 2.99Å | ||
| 222 | V | 34.8 | Very low | 38.7 | Very low | 82 Ų | 82 | 114.2 Ų | 114.2 | 50% | 0.497 | 60% | 0.598 | S | S | . | * | trans | -67.2 | 99.6 | 173.2 | 176.9 | 0 | 0 | 0 | 0 | 105.9 | N220 H224 | N220-V222 HydrophobicContact CB-CG2 4.47Å; N220-V222 PolarHBondContact O-N 3.37Å; V222-H224 PolarHBondContact O-CD2 2.95Å; V222-H224 PolarHBondContact O-N 3.43Å | ||
| 223 | H | 41.7 | Very low | 38.8 | Very low | 145 Ų | 145 | 112.4 Ų | 112.4 | 67% | 0.671 | 59% | 0.588 | S | S | * | * | trans | -56.9 | 104.8 | 169.4 | -80.7 | -83.5 | 0 | 0 | 0 | 108.5 | I221 H225 | I221-H223 PolarHBondContact O-N 2.99Å; H223-H225 VanDerWaalsContact C-N 3.35Å; H223-H225 PolarHBondContact O-N 3.03Å | ||
| 224 | H | 39.7 | Very low | 39.1 | Very low | 171 Ų | 171 | 108.9 Ų | 108.9 | 79% | 0.792 | 57% | 0.571 | S | S | * | * | trans | -71.6 | 92.5 | 175.7 | -86 | -85.3 | 0 | 0 | 0 | 109.4 | V222 L226 | V222-H224 PolarHBondContact O-CD2 2.95Å; V222-H224 PolarHBondContact O-N 3.43Å; H224-L226 PolarHBondContact O-N 2.99Å | ||
| 225 | H | 47 | Very low | 39 | Very low | 87 Ų | 87 | 112.5 Ų | 112.5 | 40% | 0.403 | 58% | 0.577 | S | S | . | * | trans | -83 | 98.3 | 169.5 | -170.9 | -71.6 | 0 | 0 | 0 | 109 | H223 F227 F249 | H223-H225 VanDerWaalsContact C-N 3.35Å; H223-H225 PolarHBondContact O-N 3.03Å; H225-F227 PolarHBondContact O-N 2.83Å; H225-F249 AromaticContact CE1-CD1 3.18Å; H225-F249 WeakPolarHBondContact CE1-CD1 3.37Å; H225-F249 AromaticContact CE1-CE1 4Å; H225-F249 AromaticContact CE1-CG 3.88Å; H225-F249 WeakPolarHBondContact NE2-CB 3.48Å; H225-F249 AromaticContact NE2-CD1 3.18Å; H225-F249 WeakPolarHBondContact NE2-CD1 3.46Å; H225-F249 AromaticContact NE2-CG 3.76Å | ||
| 226 | L | 38.6 | Very low | 39.1 | Very low | 105 Ų | 105 | 113.2 Ų | 113.2 | 55% | 0.55 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -78.4 | 117.6 | 170.4 | -173.2 | 63.6 | 0 | 0 | 0 | 108.7 | H224 I228 | H224-L226 PolarHBondContact O-N 2.99Å; L226-I228 HydrophobicContact CD2-CD1 4.36Å; L226-I228 HydrophobicContact CG-CG1 4.35Å |
| 227 | F | 42.5 | Very low | 38.8 | Very low | 46 Ų | 46 | 114.9 Ų | 114.9 | 20% | 0.202 | 57% | 0.573 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.2 | 175.7 | 179.9 | -74.3 | 0 | 0 | 0 | 108 | W141 H225 S229 I247 F249 | W141-F227 HydrophobicContact CH2-CE1 4.04Å; W141-F227 HydrophobicContact CH2-CZ 4.18Å; W141-F227 HydrophobicContact CZ2-CD1 4.37Å; W141-F227 AromaticContact CZ2-CE1 3.48Å; W141-F227 HydrophobicContact CZ2-CE1 3.48Å; W141-F227 VanDerWaalsContact CZ2-CE1 3.48Å; W141-F227 AromaticContact CZ2-CZ 3.89Å; W141-F227 HydrophobicContact CZ2-CZ 3.89Å; H225-F227 PolarHBondContact O-N 2.83Å; F227-S229 VanDerWaalsContact CE1-CB 3.48Å; F227-I247 HydrophobicContact CD2-CG2 3.54Å; F227-I247 HydrophobicContact CE1-CG1 4.29Å; F227-I247 HydrophobicContact CE1-CG2 4.09Å; F227-I247 HydrophobicContact CE2-CB 4.06Å; F227-I247 HydrophobicContact CE2-CD1 3.77Å; F227-I247 HydrophobicContact CE2-CG1 3.98Å; F227-I247 HydrophobicContact CE2-CG2 2.97Å; F227-I247 HydrophobicContact CG-CG2 4.37Å; F227-I247 HydrophobicContact CZ-CB 3.95Å; F227-I247 HydrophobicContact CZ-CD1 3.45Å; F227-I247 VanDerWaalsContact CZ-CD1 3.45Å; F227-I247 HydrophobicContact CZ-CG1 3.46Å; F227-I247 VanDerWaalsContact CZ-CG1 3.46Å; F227-I247 HydrophobicContact CZ-CG2 3.3Å; F227-F249 HydrophobicContact CD2-CD1 4.25Å; F227-F249 AromaticContact CD2-CE1 3.73Å; F227-F249 HydrophobicContact CD2-CE1 3.73Å; F227-F249 HydrophobicContact CD2-CZ 4.08Å; F227-F249 AromaticContact CE2-CE1 3.92Å; F227-F249 HydrophobicContact CE2-CE1 3.92Å; F227-F249 AromaticContact CE2-CZ 3.81Å; F227-F249 HydrophobicContact CE2-CZ 3.81Å |
| 228 | I | 40.8 | Very low | 39 | Very low | 66 Ų | 66 | 114.9 Ų | 114.9 | 34% | 0.338 | 57% | 0.565 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -115.9 | 118.3 | 170.8 | -58.2 | 172.8 | 0 | 0 | 0 | 106.4 | Q23 L226 V248 | Q23-I228 HydrophobicContact CG-CD1 4.44Å; L226-I228 HydrophobicContact CD2-CD1 4.36Å; L226-I228 HydrophobicContact CG-CG1 4.35Å; I228-V248 PolarHBondContact O-N 3.18Å |
| 229 | S | 44.6 | Very low | 39.1 | Very low | 44 Ų | 44 | 113.9 Ų | 113.9 | 31% | 0.308 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.7 | 162.8 | 54.1 | 0 | 0 | 0 | 0 | 110.5 | W141 F227 L246 | W141-S229 VanDerWaalsContact CH2-OG 3.23Å; W141-S229 WeakPolarHBondContact CH2-OG 3.35Å; W141-S229 WeakPolarHBondContact CZ2-OG 3.27Å; F227-S229 VanDerWaalsContact CE1-CB 3.48Å; S229-L246 VanDerWaalsContact CA-O 3.27Å; S229-L246 WeakPolarHBondContact CA-O 3.49Å |
| 230 | S | 45.9 | Very low | 39.1 | Very low | 39 Ų | 39 | 116.1 Ų | 116.1 | 27% | 0.273 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -104.3 | 133.5 | 164.1 | 52.2 | 0 | 0 | 0 | 0 | 109 | F232 L246 | S230-F232 VanDerWaalsContact CB-CE2 3.44Å; S230-F232 WeakPolarHBondContact OG-CE2 3.47Å; S230-L246 PolarHBondContact N-O 3.1Å; S230-L246 PolarHBondContact O-N 3.27Å |
| 231 | R | 40.2 | Very low | 39.6 | Very low | 128 Ų | 128 | 114.3 Ų | 114.3 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -103.7 | 120.3 | 175.1 | -170.9 | -172.3 | -128.9 | -169.6 | -3.6 | 107.1 | E243 | R231-E243 HydrophobicContact CG-CG 3.89Å; R231-E243 VanDerWaalsContact CZ-CD 3.43Å; R231-E243 IonicContact CZ-OE1 3.08Å; R231-E243 IonicContact CZ-OE2 3.44Å; R231-E243 IonicContact NE-OE1 2.65Å; R231-E243 PolarHBondContact NE-OE1 2.87Å; R231-E243 IonicContact NE-OE2 3.55Å; R231-E243 IonicContact NH2-OE1 2.72Å; R231-E243 PolarHBondContact NH2-OE1 2.77Å; R231-E243 IonicContact NH2-OE2 2.87Å; R231-E243 PolarHBondContact NH2-OE2 2.85Å |
| 232 | F | 42.2 | Very low | 40.2 | Very low | 94 Ų | 94 | 112.5 Ų | 112.5 | 41% | 0.412 | 55% | 0.548 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 133.3 | 172.9 | -67.5 | -85.6 | 0 | 0 | 0 | 110.1 | F27 S230 V244 | F27-F232 AromaticContact CD2-CE2 3.86Å; F27-F232 HydrophobicContact CD2-CE2 3.86Å; F27-F232 HydrophobicContact CD2-CZ 4.38Å; F27-F232 HydrophobicContact CE1-CE2 4.3Å; F27-F232 HydrophobicContact CE1-CZ 4.03Å; F27-F232 AromaticContact CE2-CD2 3.5Å; F27-F232 HydrophobicContact CE2-CD2 3.5Å; F27-F232 VanDerWaalsContact CE2-CD2 3.5Å; F27-F232 HydrophobicContact CE2-CE1 4.46Å; F27-F232 AromaticContact CE2-CE2 3.01Å; F27-F232 HydrophobicContact CE2-CE2 3.01Å; F27-F232 HydrophobicContact CE2-CG 4.38Å; F27-F232 AromaticContact CE2-CZ 3.59Å; F27-F232 HydrophobicContact CE2-CZ 3.59Å; F27-F232 HydrophobicContact CZ-CD1 4.27Å; F27-F232 AromaticContact CZ-CD2 3.74Å; F27-F232 HydrophobicContact CZ-CD2 3.74Å; F27-F232 AromaticContact CZ-CE1 3.86Å; F27-F232 HydrophobicContact CZ-CE1 3.86Å; F27-F232 AromaticContact CZ-CE2 3.26Å; F27-F232 HydrophobicContact CZ-CE2 3.26Å; F27-F232 HydrophobicContact CZ-CG 4.21Å; F27-F232 AromaticContact CZ-CZ 3.33Å; F27-F232 HydrophobicContact CZ-CZ 3.33Å; S230-F232 VanDerWaalsContact CB-CE2 3.44Å; S230-F232 WeakPolarHBondContact OG-CE2 3.47Å; F232-V244 PolarHBondContact N-O 3.44Å; F232-V244 PolarHBondContact O-N 3.36Å |
| 233 | C | 39.7 | Very low | 40.9 | Very low | 84 Ų | 84 | 112.2 Ų | 112.2 | 57% | 0.568 | 54% | 0.541 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 112 | 169 | -62.4 | 0 | 0 | 0 | 0 | 107.3 | ||
| 234 | V | 41.9 | Very low | 41.1 | Very low | 59 Ų | 59 | 108.2 Ų | 108.2 | 36% | 0.358 | 53% | 0.527 | S | S | . | . | trans | -91.1 | 109.6 | 176.2 | -174.8 | 0 | 0 | 0 | 0 | 108.3 | Y236 L241 | V234-Y236 HydrophobicContact CG1-CD2 3.64Å; V234-Y236 HydrophobicContact CG1-CE2 3.39Å; V234-Y236 PolarHBondContact O-N 3.08Å; V234-L241 WeakPolarHBondContact O-CD2 3.25Å | ||
| 235 | Q | 37.8 | Very low | 41.9 | Very low | 174 Ų | 174 | 102.6 Ų | 102.6 | 81% | 0.813 | 50% | 0.502 | S | S | * | . | trans | -72.4 | 111.6 | 171.7 | -94.5 | -176.9 | 2.1 | 0 | 0 | 110.2 | L241 | Q235-L241 VanDerWaalsContact CA-CD2 3.45Å; Q235-L241 HydrophobicContact CB-CD2 4.18Å; Q235-L241 HydrophobicContact CG-CD2 3.71Å | ||
| 236 | Y | 38.2 | Very low | 42.2 | Very low | 162 Ų | 162 | 99.5 Ų | 99.5 | 64% | 0.635 | 49% | 0.488 | S | S | * | . | trans | -109.4 | 132.2 | 163.8 | -87.2 | -77.7 | 0 | 0 | 0 | 110.5 | V234 K238 | V234-Y236 HydrophobicContact CG1-CD2 3.64Å; V234-Y236 HydrophobicContact CG1-CE2 3.39Å; V234-Y236 PolarHBondContact O-N 3.08Å; Y236-K238 PolarHBondContact O-N 2.89Å; Y236-K238 VanDerWaalsContact O-N 3.11Å | ||
| 237 | E | 35 | Very low | 42.9 | Very low | 195 Ų | 195 | 95.4 Ų | 95.4 | 91% | 0.911 | 47% | 0.467 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | 112.8 | 171.7 | -153.8 | 169 | -167 | 0 | 0 | 108.2 | ||
| 238 | K | 37.9 | Very low | 43.3 | Very low | 177 Ų | 177 | 94.4 Ų | 94.4 | 77% | 0.77 | 46% | 0.464 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 91.2 | -4.9 | 170.3 | -146.6 | 171.6 | -178.1 | 178.1 | 0 | 120.3 | Y236 | Y236-K238 PolarHBondContact O-N 2.89Å; Y236-K238 VanDerWaalsContact O-N 3.11Å |
| 239 | Y | 37.5 | Very low | 43.5 | Very low | 184 Ų | 184 | 94.6 Ų | 94.6 | 72% | 0.722 | 46% | 0.463 | S | S | * | . | S | Bend | trans | -147.7 | 128.5 | 172.3 | -63.7 | -79.6 | 0 | 0 | 0 | 114 | ||
| 240 | V | 34 | Very low | 43.7 | Very low | 136 Ų | 136 | 96.8 Ų | 96.8 | 82% | 0.824 | 46% | 0.464 | S | S | * | . | trans | 10.8 | 107.9 | 168.8 | -171.2 | 0 | 0 | 0 | 0 | 117.2 | N242 | V240-N242 PolarHBondContact O-N 3.46Å; V240-N242 VanDerWaalsContact O-N 3.08Å | ||
| 241 | L | 39.1 | Very low | 43.4 | Very low | 100 Ų | 100 | 104.4 Ų | 104.4 | 52% | 0.524 | 49% | 0.487 | S | S | . | . | trans | -53.5 | 109.1 | 163.1 | -66.9 | 172.9 | 0 | 0 | 0 | 110.2 | V234 Q235 | V234-L241 WeakPolarHBondContact O-CD2 3.25Å; Q235-L241 VanDerWaalsContact CA-CD2 3.45Å; Q235-L241 HydrophobicContact CB-CD2 4.18Å; Q235-L241 HydrophobicContact CG-CD2 3.71Å | ||
| 242 | N | 45.7 | Very low | 43.8 | Very low | 85 Ų | 85 | 102.1 Ų | 102.1 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | trans | -89.2 | 131.4 | 169.1 | -160 | 28.5 | 0 | 0 | 0 | 109.4 | V240 | V240-N242 PolarHBondContact O-N 3.46Å; V240-N242 VanDerWaalsContact O-N 3.08Å | ||
| 243 | E | 48.3 | Very low | 44.1 | Very low | 76 Ų | 76 | 104.3 Ų | 104.3 | 36% | 0.355 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 114.7 | 173.7 | -173.8 | -168.8 | 145.3 | 0 | 0 | 108.3 | R231 I245 | R231-E243 HydrophobicContact CG-CG 3.89Å; R231-E243 VanDerWaalsContact CZ-CD 3.43Å; R231-E243 IonicContact CZ-OE1 3.08Å; R231-E243 IonicContact CZ-OE2 3.44Å; R231-E243 IonicContact NE-OE1 2.65Å; R231-E243 PolarHBondContact NE-OE1 2.87Å; R231-E243 IonicContact NE-OE2 3.55Å; R231-E243 IonicContact NH2-OE1 2.72Å; R231-E243 PolarHBondContact NH2-OE1 2.77Å; R231-E243 IonicContact NH2-OE2 2.87Å; R231-E243 PolarHBondContact NH2-OE2 2.85Å; E243-I245 HydrophobicContact CG-CG1 4.42Å; E243-I245 WeakPolarHBondContact OE1-CD1 3.28Å; E243-I245 WeakPolarHBondContact OE1-CG1 3.49Å |
| 244 | V | 47.3 | Very low | 44.2 | Very low | 60 Ų | 60 | 104.1 Ų | 104.1 | 36% | 0.364 | 49% | 0.488 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 117.2 | 173.2 | -177.5 | 0 | 0 | 0 | 0 | 108.1 | F232 | F232-V244 PolarHBondContact N-O 3.44Å; F232-V244 PolarHBondContact O-N 3.36Å |
| 245 | I | 55.1 | Low | 44.5 | Very low | 53 Ų | 53 | 106.2 Ų | 106.2 | 27% | 0.272 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 108.9 | 170.2 | -57 | 172.5 | 0 | 0 | 0 | 106.8 | E243 I247 | E243-I245 HydrophobicContact CG-CG1 4.42Å; E243-I245 WeakPolarHBondContact OE1-CD1 3.28Å; E243-I245 WeakPolarHBondContact OE1-CG1 3.49Å; I245-I247 HydrophobicContact CG2-CD1 4.41Å; I245-I247 HydrophobicContact CG2-CG1 3.92Å |
| 246 | L | 53.8 | Low | 45.1 | Very low | 23 Ų | 23 | 102.7 Ų | 102.7 | 12% | 0.12 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 127.1 | 168.8 | -176.4 | 59.1 | 0 | 0 | 0 | 108.4 | F27 V30 S229 S230 V248 | F27-L246 HydrophobicContact CD2-CD2 4.23Å; V30-L246 HydrophobicContact CB-CD2 4.24Å; V30-L246 HydrophobicContact CG1-CD1 3.94Å; V30-L246 HydrophobicContact CG1-CD2 4.04Å; V30-L246 HydrophobicContact CG2-CD1 4.46Å; V30-L246 HydrophobicContact CG2-CD2 4.33Å; S229-L246 VanDerWaalsContact CA-O 3.27Å; S229-L246 WeakPolarHBondContact CA-O 3.49Å; S230-L246 PolarHBondContact N-O 3.1Å; S230-L246 PolarHBondContact O-N 3.27Å; L246-V248 HydrophobicContact CD2-CG2 4.41Å; L246-V248 HydrophobicContact CG-CG2 4.23Å |
| 247 | I | 53.8 | Low | 45.5 | Very low | 19 Ų | 19 | 100.9 Ų | 100.9 | 10% | 0.097 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 120.7 | 173.9 | -59.2 | 177.7 | 0 | 0 | 0 | 108.3 | F227 I245 F249 F273 | F227-I247 HydrophobicContact CD2-CG2 3.54Å; F227-I247 HydrophobicContact CE1-CG1 4.29Å; F227-I247 HydrophobicContact CE1-CG2 4.09Å; F227-I247 HydrophobicContact CE2-CB 4.06Å; F227-I247 HydrophobicContact CE2-CD1 3.77Å; F227-I247 HydrophobicContact CE2-CG1 3.98Å; F227-I247 HydrophobicContact CE2-CG2 2.97Å; F227-I247 HydrophobicContact CG-CG2 4.37Å; F227-I247 HydrophobicContact CZ-CB 3.95Å; F227-I247 HydrophobicContact CZ-CD1 3.45Å; F227-I247 VanDerWaalsContact CZ-CD1 3.45Å; F227-I247 HydrophobicContact CZ-CG1 3.46Å; F227-I247 VanDerWaalsContact CZ-CG1 3.46Å; F227-I247 HydrophobicContact CZ-CG2 3.3Å; I245-I247 HydrophobicContact CG2-CD1 4.41Å; I245-I247 HydrophobicContact CG2-CG1 3.92Å; I247-F249 HydrophobicContact CB-CE2 4.04Å; I247-F249 HydrophobicContact CG2-CD2 3.64Å; I247-F249 HydrophobicContact CG2-CE1 4.18Å; I247-F249 HydrophobicContact CG2-CE2 3.15Å; I247-F249 HydrophobicContact CG2-CG 4.34Å; I247-F249 HydrophobicContact CG2-CZ 3.43Å; I247-F249 VanDerWaalsContact CG2-CZ 3.43Å; I247-F273 HydrophobicContact CB-CZ 4.33Å; I247-F273 HydrophobicContact CD1-CE1 4.44Å; I247-F273 HydrophobicContact CD1-CE2 3.52Å; I247-F273 HydrophobicContact CD1-CZ 3.37Å; I247-F273 HydrophobicContact CG1-CE2 4.38Å; I247-F273 HydrophobicContact CG1-CZ 3.82Å |
| 248 | V | 51.3 | Low | 46 | Very low | 24 Ų | 24 | 97 Ų | 97 | 15% | 0.145 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 118 | 172.6 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L26 I228 L246 | L26-V248 HydrophobicContact CD1-CG1 4.14Å; I228-V248 PolarHBondContact O-N 3.18Å; L246-V248 HydrophobicContact CD2-CG2 4.41Å; L246-V248 HydrophobicContact CG-CG2 4.23Å |
| 249 | F | 44.6 | Very low | 46.7 | Very low | 71 Ų | 71 | 99.8 Ų | 99.8 | 31% | 0.311 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 125.6 | 173.9 | -61.1 | -100.3 | 0 | 0 | 0 | 108.4 | H225 F227 I247 | H225-F249 AromaticContact CE1-CD1 3.18Å; H225-F249 WeakPolarHBondContact CE1-CD1 3.37Å; H225-F249 AromaticContact CE1-CE1 4Å; H225-F249 AromaticContact CE1-CG 3.88Å; H225-F249 WeakPolarHBondContact NE2-CB 3.48Å; H225-F249 AromaticContact NE2-CD1 3.18Å; H225-F249 WeakPolarHBondContact NE2-CD1 3.46Å; H225-F249 AromaticContact NE2-CG 3.76Å; F227-F249 HydrophobicContact CD2-CD1 4.25Å; F227-F249 AromaticContact CD2-CE1 3.73Å; F227-F249 HydrophobicContact CD2-CE1 3.73Å; F227-F249 HydrophobicContact CD2-CZ 4.08Å; F227-F249 AromaticContact CE2-CE1 3.92Å; F227-F249 HydrophobicContact CE2-CE1 3.92Å; F227-F249 AromaticContact CE2-CZ 3.81Å; F227-F249 HydrophobicContact CE2-CZ 3.81Å; I247-F249 HydrophobicContact CB-CE2 4.04Å; I247-F249 HydrophobicContact CG2-CD2 3.64Å; I247-F249 HydrophobicContact CG2-CE1 4.18Å; I247-F249 HydrophobicContact CG2-CE2 3.15Å; I247-F249 HydrophobicContact CG2-CG 4.34Å; I247-F249 HydrophobicContact CG2-CZ 3.43Å; I247-F249 VanDerWaalsContact CG2-CZ 3.43Å |
| 250 | W | 48.2 | Very low | 46.7 | Very low | 90 Ų | 90 | 93.5 Ų | 93.5 | 34% | 0.341 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.9 | 123.3 | 168.5 | -94.1 | 51.7 | 0 | 0 | 0 | 109.1 | F22 Y252 F258 F267 | F22-W250 AromaticContact CD1-CZ2 3.79Å; F22-W250 HydrophobicContact CD1-CZ2 3.79Å; F22-W250 AromaticContact CE1-CZ2 3.45Å; F22-W250 HydrophobicContact CE1-CZ2 3.45Å; F22-W250 VanDerWaalsContact CE1-CZ2 3.45Å; F22-W250 HydrophobicContact CZ-CZ2 4.25Å; W250-Y252 HydrophobicContact CE3-CD2 4.23Å; W250-Y252 HydrophobicContact CZ3-CD2 4.33Å; W250-Y252 HydrophobicContact CZ3-CE2 4.25Å; W250-F258 HydrophobicContact CH2-CZ 4.41Å; W250-F258 HydrophobicContact CZ3-CZ 4.03Å; W250-F267 AromaticContact NE1-CE1 3.91Å |
| 251 | R | 40.8 | Very low | 46.8 | Very low | 199 Ų | 199 | 91.7 Ų | 91.7 | 75% | 0.751 | 48% | 0.48 | S | S | * | . | trans | -99.5 | 125 | 165.2 | -62.7 | -174.1 | 96.6 | 162.2 | 4.2 | 107.5 | ||||
| 252 | Y | 48.5 | Very low | 46.5 | Very low | 80 Ų | 80 | 90 Ų | 90 | 31% | 0.314 | 49% | 0.487 | S | S | . | . | trans | -111.8 | 111.4 | 173.8 | -142.8 | -90.5 | 0 | 0 | 0 | 108.3 | W250 D254 P255 F258 | W250-Y252 HydrophobicContact CE3-CD2 4.23Å; W250-Y252 HydrophobicContact CZ3-CD2 4.33Å; W250-Y252 HydrophobicContact CZ3-CE2 4.25Å; Y252-D254 VanDerWaalsContact CD1-C 3.49Å; Y252-D254 WeakPolarHBondContact CE1-O 3.49Å; Y252-P255 HydrophobicContact CD1-CB 4.47Å; Y252-P255 HydrophobicContact CE1-CB 4.38Å; Y252-F258 HydrophobicContact CD2-CE2 4.3Å; Y252-F258 HydrophobicContact CE1-CD2 4.49Å; Y252-F258 HydrophobicContact CE1-CE2 4.33Å; Y252-F258 AromaticContact CE2-CD2 3.99Å; Y252-F258 HydrophobicContact CE2-CD2 3.99Å; Y252-F258 HydrophobicContact CE2-CE1 4.37Å; Y252-F258 AromaticContact CE2-CE2 3.11Å; Y252-F258 HydrophobicContact CE2-CE2 3.11Å; Y252-F258 AromaticContact CE2-CZ 3.34Å; Y252-F258 HydrophobicContact CE2-CZ 3.34Å; Y252-F258 AromaticContact CZ-CD2 3.52Å; Y252-F258 AromaticContact CZ-CE2 3.15Å; Y252-F258 AromaticContact CZ-CZ 3.68Å; Y252-F258 WeakPolarHBondContact OH-CD2 3.17Å; Y252-F258 WeakPolarHBondContact OH-CE2 3.43Å; Y252-F258 VanDerWaalsContact OH-CG 3.25Å; Y252-F258 WeakPolarHBondContact OH-CG 3.39Å; Y252-F258 VanDerWaalsContact OH-CZ 3.28Å; Y252-F258 WeakPolarHBondContact OH-CZ 3.22Å | ||
| 253 | D | 47.7 | Very low | 46.1 | Very low | 140 Ų | 140 | 93.9 Ų | 93.9 | 75% | 0.749 | 51% | 0.508 | S | S | * | . | S | Bend | trans | -83.1 | -22.9 | -178.2 | -74.5 | -33.5 | 0 | 0 | 0 | 112.8 | ||
| 254 | D | 42.1 | Very low | 45.9 | Very low | 80 Ų | 80 | 95.1 Ų | 95.1 | 43% | 0.428 | 52% | 0.52 | S | S | . | . | trans | -167.5 | 113.7 | 172.1 | -156.1 | -34.4 | 0 | 0 | 0 | 112.2 | Y252 T256 L257 | Y252-D254 VanDerWaalsContact CD1-C 3.49Å; Y252-D254 WeakPolarHBondContact CE1-O 3.49Å; D254-T256 PolarHBondContact O-N 2.91Å; D254-T256 PolarHBondContact OD1-OG1 3.43Å; D254-L257 HydrophobicContact CB-CD1 4.39Å; D254-L257 PolarHBondContact O-N 3.27Å; D254-L257 VanDerWaalsContact O-N 3.11Å | ||
| 255 | P | 49 | Very low | 45.6 | Very low | 103 Ų | 103 | 95 Ų | 95 | 67% | 0.669 | 53% | 0.531 | S | S | * | . | G | 310 helix | trans | -50.2 | -15.1 | -177.3 | 18 | -30.3 | 0 | 0 | 0 | 115.5 | Y252 | Y252-P255 HydrophobicContact CD1-CB 4.47Å; Y252-P255 HydrophobicContact CE1-CB 4.38Å |
| 256 | T | 48.7 | Very low | 44.6 | Very low | 100 Ų | 100 | 101 Ų | 101 | 61% | 0.613 | 56% | 0.558 | S | S | * | * | G | 310 helix | trans | -78.4 | -13.3 | -179.2 | 50.9 | 0 | 0 | 0 | 0 | 114.9 | D254 F258 | D254-T256 PolarHBondContact O-N 2.91Å; D254-T256 PolarHBondContact OD1-OG1 3.43Å; T256-F258 PolarHBondContact O-N 3.19Å |
| 257 | L | 47.5 | Very low | 44.2 | Very low | 124 Ų | 124 | 104.6 Ų | 104.6 | 65% | 0.649 | 57% | 0.573 | S | S | * | * | G | 310 helix | trans | -75.9 | -9.1 | -172.4 | -85.3 | 163.7 | 0 | 0 | 0 | 116.5 | D254 R259 | D254-L257 HydrophobicContact CB-CD1 4.39Å; D254-L257 PolarHBondContact O-N 3.27Å; D254-L257 VanDerWaalsContact O-N 3.11Å; L257-R259 PolarHBondContact O-N 2.93Å |
| 258 | F | 45.8 | Very low | 43.4 | Very low | 113 Ų | 113 | 110.9 Ų | 110.9 | 50% | 0.496 | 60% | 0.602 | S | S | . | * | G | 310 helix | trans | -82.4 | 18.2 | -179.9 | -75.6 | -51 | 0 | 0 | 0 | 115.8 | R15 W250 Y252 T256 | R15-F258 VanDerWaalsContact NH1-CD2 3.32Å; W250-F258 HydrophobicContact CH2-CZ 4.41Å; W250-F258 HydrophobicContact CZ3-CZ 4.03Å; Y252-F258 HydrophobicContact CD2-CE2 4.3Å; Y252-F258 HydrophobicContact CE1-CD2 4.49Å; Y252-F258 HydrophobicContact CE1-CE2 4.33Å; Y252-F258 AromaticContact CE2-CD2 3.99Å; Y252-F258 HydrophobicContact CE2-CD2 3.99Å; Y252-F258 HydrophobicContact CE2-CE1 4.37Å; Y252-F258 AromaticContact CE2-CE2 3.11Å; Y252-F258 HydrophobicContact CE2-CE2 3.11Å; Y252-F258 AromaticContact CE2-CZ 3.34Å; Y252-F258 HydrophobicContact CE2-CZ 3.34Å; Y252-F258 AromaticContact CZ-CD2 3.52Å; Y252-F258 AromaticContact CZ-CE2 3.15Å; Y252-F258 AromaticContact CZ-CZ 3.68Å; Y252-F258 WeakPolarHBondContact OH-CD2 3.17Å; Y252-F258 WeakPolarHBondContact OH-CE2 3.43Å; Y252-F258 VanDerWaalsContact OH-CG 3.25Å; Y252-F258 WeakPolarHBondContact OH-CG 3.39Å; Y252-F258 VanDerWaalsContact OH-CZ 3.28Å; Y252-F258 WeakPolarHBondContact OH-CZ 3.22Å; T256-F258 PolarHBondContact O-N 3.19Å |
| 259 | R | 53 | Low | 43.1 | Very low | 236 Ų | 236 | 113.8 Ų | 113.8 | 89% | 0.891 | 62% | 0.616 | S | S | * | * | G | 310 helix | trans | -94.8 | 1.7 | 179.5 | -154.2 | 170.5 | -169.2 | -110.6 | -0.3 | 114.9 | L257 | L257-R259 PolarHBondContact O-N 2.93Š|
| 260 | G | 35.8 | Very low | 43 | Very low | 52 Ų | 52 | 113 Ų | 113 | 54% | 0.536 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -150.4 | 136.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | G262 | G260-G262 VanDerWaalsContact C-N 3.34Å; G260-G262 PolarHBondContact O-N 3.49Å |
| 261 | G | 37.1 | Very low | 42.7 | Very low | 97 Ų | 97 | 113.6 Ų | 113.6 | 100% | 1 | 63% | 0.627 | S | S | * | * | trans | -56 | 90.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 262 | G | 33.6 | Very low | 42.7 | Very low | 65 Ų | 65 | 108.7 Ų | 108.7 | 67% | 0.67 | 62% | 0.616 | S | S | * | * | trans | -118.3 | 136.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | G260 | G260-G262 VanDerWaalsContact C-N 3.34Å; G260-G262 PolarHBondContact O-N 3.49Å | ||
| 263 | N | 37.2 | Very low | 42.6 | Very low | 166 Ų | 166 | 106.9 Ų | 106.9 | 89% | 0.888 | 61% | 0.61 | S | S | * | * | trans | -49.3 | 133.8 | -167.1 | -61 | -40.5 | 0 | 0 | 0 | 114.2 | G265 | N263-G265 PolarHBondContact O-N 2.94Å; N263-G265 VanDerWaalsContact O-N 3.13Å | ||
| 264 | V | 43 | Very low | 42.5 | Very low | 102 Ų | 102 | 102.9 Ų | 102.9 | 62% | 0.618 | 59% | 0.588 | S | S | * | * | trans | -53.5 | 114.4 | 170.2 | 177.4 | 0 | 0 | 0 | 0 | 108.3 | F22 E266 F267 | F22-V264 HydrophobicContact CZ-CG1 4.45Å; V264-E266 PolarHBondContact O-N 2.96Å; V264-F267 HydrophobicContact CG1-CE2 3.49Å; V264-F267 VanDerWaalsContact CG1-CE2 3.49Å; V264-F267 HydrophobicContact CG1-CZ 3.85Å | ||
| 265 | G | 40.5 | Very low | 42.7 | Very low | 57 Ų | 57 | 105.1 Ų | 105.1 | 59% | 0.588 | 59% | 0.594 | S | S | * | * | trans | -53.6 | 135.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | N263 F267 | N263-G265 PolarHBondContact O-N 2.94Å; N263-G265 VanDerWaalsContact O-N 3.13Å; G265-F267 PolarHBondContact O-N 3.21Å | ||
| 266 | E | 34.6 | Very low | 42.3 | Very low | 181 Ų | 181 | 104.4 Ų | 104.4 | 85% | 0.846 | 58% | 0.584 | S | S | * | * | trans | -54.8 | 122.5 | 179.3 | -72.9 | -170.9 | 146.2 | 0 | 0 | 111.1 | V264 Q268 | V264-E266 PolarHBondContact O-N 2.96Å; E266-Q268 PolarHBondContact O-N 3.36Å | ||
| 267 | F | 44.9 | Very low | 41.8 | Very low | 97 Ų | 97 | 102.2 Ų | 102.2 | 43% | 0.425 | 57% | 0.567 | S | S | . | * | trans | -72.3 | 94.7 | 170.2 | -61.2 | -77.6 | 0 | 0 | 0 | 109.1 | F22 L26 W250 V264 G265 L269 | F22-F267 HydrophobicContact CE1-CE1 4.28Å; F22-F267 AromaticContact CE1-CZ 3.71Å; F22-F267 HydrophobicContact CE1-CZ 3.71Å; F22-F267 HydrophobicContact CZ-CE1 4.29Å; F22-F267 AromaticContact CZ-CE2 3.75Å; F22-F267 HydrophobicContact CZ-CE2 3.75Å; F22-F267 AromaticContact CZ-CZ 3.32Å; F22-F267 HydrophobicContact CZ-CZ 3.32Å; L26-F267 HydrophobicContact CD1-CE1 4.2Å; L26-F267 HydrophobicContact CD1-CZ 4.41Å; L26-F267 HydrophobicContact CD2-CD1 4.5Å; L26-F267 HydrophobicContact CD2-CD2 4.14Å; L26-F267 HydrophobicContact CD2-CE1 4.39Å; L26-F267 HydrophobicContact CD2-CE2 4.02Å; L26-F267 HydrophobicContact CD2-CG 4.42Å; L26-F267 HydrophobicContact CD2-CZ 4.2Å; W250-F267 AromaticContact NE1-CE1 3.91Å; V264-F267 HydrophobicContact CG1-CE2 3.49Å; V264-F267 VanDerWaalsContact CG1-CE2 3.49Å; V264-F267 HydrophobicContact CG1-CZ 3.85Å; G265-F267 PolarHBondContact O-N 3.21Å; F267-L269 VanDerWaalsContact C-N 3.3Å; F267-L269 PolarHBondContact O-N 3.4Å | ||
| 268 | Q | 38 | Very low | 41.4 | Very low | 151 Ų | 151 | 101.1 Ų | 101.1 | 71% | 0.706 | 56% | 0.562 | S | S | * | * | trans | -75.2 | 89.6 | 165.5 | -73.3 | -167.5 | 76.4 | 0 | 0 | 109.1 | E266 T270 | E266-Q268 PolarHBondContact O-N 3.36Å; Q268-T270 PolarHBondContact O-N 2.93Å | ||
| 269 | L | 45.6 | Very low | 41 | Very low | 86 Ų | 86 | 104.6 Ų | 104.6 | 45% | 0.45 | 57% | 0.572 | S | S | . | * | trans | -67.8 | 90.9 | 159.4 | -163.6 | 119.9 | 0 | 0 | 0 | 106.3 | F267 D271 L274 | F267-L269 VanDerWaalsContact C-N 3.3Å; F267-L269 PolarHBondContact O-N 3.4Å; L269-D271 PolarHBondContact O-N 3.01Å; L269-D271 VanDerWaalsContact O-N 3.1Å; L269-L274 HydrophobicContact CD2-CD1 3.54Å; L269-L274 HydrophobicContact CD2-CG 4.19Å | ||
| 270 | T | 41.4 | Very low | 40.2 | Very low | 53 Ų | 53 | 97.9 Ų | 97.9 | 33% | 0.325 | 55% | 0.552 | S | S | . | * | trans | -61.6 | 120.5 | -178.6 | 49.7 | 0 | 0 | 0 | 0 | 108.8 | Q268 N272 F273 | Q268-T270 PolarHBondContact O-N 2.93Å; T270-N272 PolarHBondContact O-N 3.5Å; T270-F273 PolarHBondContact O-N 3.27Å | ||
| 271 | D | 42 | Very low | 40.2 | Very low | 104 Ų | 104 | 100.2 Ų | 100.2 | 56% | 0.556 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -47.3 | -25.4 | 173.6 | -87.5 | -11.4 | 0 | 0 | 0 | 112.7 | L269 F273 L274 K275 | L269-D271 PolarHBondContact O-N 3.01Å; L269-D271 VanDerWaalsContact O-N 3.1Å; D271-F273 VanDerWaalsContact C-N 3.28Å; D271-F273 PolarHBondContact O-N 3.47Å; D271-L274 PolarHBondContact O-N 3.24Å; D271-K275 VanDerWaalsContact O-CB 3.32Å; D271-K275 WeakPolarHBondContact O-CB 3.43Å; D271-K275 WeakPolarHBondContact O-CG 3.37Å; D271-K275 PolarHBondContact O-N 3.45Å |
| 272 | N | 41.6 | Very low | 40.5 | Very low | 96 Ų | 96 | 104.6 Ų | 104.6 | 51% | 0.513 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -61 | -32.2 | 176.4 | -68.6 | -28.2 | 0 | 0 | 0 | 113.2 | T270 N276 | T270-N272 PolarHBondContact O-N 3.5Å; N272-N276 WeakPolarHBondContact O-CB 3.28Å; N272-N276 PolarHBondContact O-N 2.96Å |
| 273 | F | 46.5 | Very low | 41 | Very low | 42 Ų | 42 | 109.5 Ų | 109.5 | 18% | 0.184 | 54% | 0.542 | C | S | . | . | H | α-helix | trans | -67.1 | -48.6 | 176.1 | -172.5 | -104.8 | 0 | 0 | 0 | 110.6 | I247 T270 D271 N276 Q277 | I247-F273 HydrophobicContact CB-CZ 4.33Å; I247-F273 HydrophobicContact CD1-CE1 4.44Å; I247-F273 HydrophobicContact CD1-CE2 3.52Å; I247-F273 HydrophobicContact CD1-CZ 3.37Å; I247-F273 HydrophobicContact CG1-CE2 4.38Å; I247-F273 HydrophobicContact CG1-CZ 3.82Å; T270-F273 PolarHBondContact O-N 3.27Å; D271-F273 VanDerWaalsContact C-N 3.28Å; D271-F273 PolarHBondContact O-N 3.47Å; F273-N276 PolarHBondContact O-N 3.44Å; F273-Q277 WeakPolarHBondContact O-CG 2.81Å; F273-Q277 PolarHBondContact O-N 3.2Å; F273-Q277 VanDerWaalsContact O-N 3.15Å |
| 274 | L | 44.7 | Very low | 41.3 | Very low | 55 Ų | 55 | 110.6 Ų | 110.6 | 29% | 0.288 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -67.1 | -38.4 | 176.4 | -68.2 | 170.9 | 0 | 0 | 0 | 112.5 | F34 L269 D271 Q277 N278 | F34-L274 HydrophobicContact CE1-CD2 4.11Å; F34-L274 HydrophobicContact CZ-CD1 4.32Å; F34-L274 HydrophobicContact CZ-CD2 3.71Å; L269-L274 HydrophobicContact CD2-CD1 3.54Å; L269-L274 HydrophobicContact CD2-CG 4.19Å; D271-L274 PolarHBondContact O-N 3.24Å; L274-Q277 PolarHBondContact O-N 2.9Å; L274-N278 WeakPolarHBondContact O-CB 2.77Å; L274-N278 PolarHBondContact O-N 2.95Å; L274-N278 PolarHBondContact O-ND2 2.92Å |
| 275 | K | 47.1 | Very low | 41.1 | Very low | 128 Ų | 128 | 108.9 Ų | 108.9 | 56% | 0.557 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.3 | -38.5 | 176.3 | -79.7 | 172.7 | -179.9 | 165.3 | 0 | 112.6 | D271 N278 R279 | D271-K275 VanDerWaalsContact O-CB 3.32Å; D271-K275 WeakPolarHBondContact O-CB 3.43Å; D271-K275 WeakPolarHBondContact O-CG 3.37Å; D271-K275 PolarHBondContact O-N 3.45Å; K275-N278 PolarHBondContact O-N 2.91Å; K275-R279 PolarHBondContact O-N 2.96Å |
| 276 | N | 39.6 | Very low | 40.7 | Very low | 88 Ų | 88 | 116.4 Ų | 116.4 | 47% | 0.471 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -70 | -36.7 | 176.2 | -96.4 | -23.3 | 0 | 0 | 0 | 112.3 | N272 F273 R279 I280 | N272-N276 WeakPolarHBondContact O-CB 3.28Å; N272-N276 PolarHBondContact O-N 2.96Å; F273-N276 PolarHBondContact O-N 3.44Å; N276-R279 PolarHBondContact O-N 3.48Å; N276-I280 WeakPolarHBondContact O-CG1 3.38Å; N276-I280 PolarHBondContact O-N 3.11Å; N276-I280 VanDerWaalsContact O-N 3.13Å |
| 277 | Q | 38.5 | Very low | 40.6 | Very low | 54 Ų | 54 | 117.7 Ų | 117.7 | 25% | 0.252 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -63.1 | -47.1 | 171.3 | -64.1 | -56.6 | -28.7 | 0 | 0 | 110.4 | F273 L274 R279 I280 F281 | F273-Q277 WeakPolarHBondContact O-CG 2.81Å; F273-Q277 PolarHBondContact O-N 3.2Å; F273-Q277 VanDerWaalsContact O-N 3.15Å; L274-Q277 PolarHBondContact O-N 2.9Å; Q277-R279 PolarHBondContact O-N 3.47Å; Q277-I280 WeakPolarHBondContact O-CA 3.25Å; Q277-I280 WeakPolarHBondContact O-CB 3.05Å; Q277-I280 PolarHBondContact O-N 2.81Å; Q277-F281 VanDerWaalsContact C-CD2 3.43Å; Q277-F281 HydrophobicContact CB-CD2 4.43Å; Q277-F281 HydrophobicContact CB-CE2 4.09Å; Q277-F281 WeakPolarHBondContact O-CD2 3.49Å; Q277-F281 PolarHBondContact O-N 3.45Å |
| 278 | N | 38.9 | Very low | 40.4 | Very low | 101 Ų | 101 | 118.8 Ų | 118.8 | 54% | 0.54 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -59.2 | -28.8 | 174.8 | -76.9 | -33.1 | 0 | 0 | 0 | 113.9 | L274 K275 F281 K282 | L274-N278 WeakPolarHBondContact O-CB 2.77Å; L274-N278 PolarHBondContact O-N 2.95Å; L274-N278 PolarHBondContact O-ND2 2.92Å; K275-N278 PolarHBondContact O-N 2.91Å; N278-F281 PolarHBondContact O-N 2.82Å; N278-K282 PolarHBondContact O-N 3.31Å |
| 279 | R | 37.2 | Very low | 40.5 | Very low | 186 Ų | 186 | 117.1 Ų | 117.1 | 70% | 0.702 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.6 | -30.8 | 173.4 | -160 | 173 | 86.2 | 152.2 | 2.2 | 112.9 | K275 N276 Q277 K283 | K275-R279 PolarHBondContact O-N 2.96Å; N276-R279 PolarHBondContact O-N 3.48Å; Q277-R279 PolarHBondContact O-N 3.47Å; R279-K283 PolarHBondContact O-N 3.19Å |
| 280 | I | 37.5 | Very low | 40.3 | Very low | 95 Ų | 95 | 118.8 Ų | 118.8 | 49% | 0.487 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -69.2 | -39.8 | 170.9 | -65.1 | 166 | 0 | 0 | 0 | 109.6 | N276 Q277 K283 K284 | N276-I280 WeakPolarHBondContact O-CG1 3.38Å; N276-I280 PolarHBondContact O-N 3.11Å; N276-I280 VanDerWaalsContact O-N 3.13Å; Q277-I280 WeakPolarHBondContact O-CA 3.25Å; Q277-I280 WeakPolarHBondContact O-CB 3.05Å; Q277-I280 PolarHBondContact O-N 2.81Å; I280-K283 PolarHBondContact O-N 3.13Å; I280-K284 PolarHBondContact O-N 3.43Å |
| 281 | F | 34.8 | Very low | 40.2 | Very low | 100 Ų | 100 | 122.6 Ų | 122.6 | 44% | 0.439 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 176.1 | -70.7 | -69.3 | 0 | 0 | 0 | 113.4 | Q277 N278 K283 | Q277-F281 VanDerWaalsContact C-CD2 3.43Å; Q277-F281 HydrophobicContact CB-CD2 4.43Å; Q277-F281 HydrophobicContact CB-CE2 4.09Å; Q277-F281 WeakPolarHBondContact O-CD2 3.49Å; Q277-F281 PolarHBondContact O-N 3.45Å; N278-F281 PolarHBondContact O-N 2.82Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 3.01Å |
| 282 | K | 43.5 | Very low | 40.1 | Very low | 189 Ų | 189 | 123.8 Ų | 123.8 | 82% | 0.822 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -68 | -20.8 | 173.6 | -92.6 | -175.6 | 175.5 | 178.9 | 0 | 114.3 | N278 | N278-K282 PolarHBondContact O-N 3.31Å |
| 283 | K | 44.9 | Very low | 40 | Very low | 168 Ų | 168 | 125.7 Ų | 125.7 | 73% | 0.73 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -92.1 | -16.1 | -177.2 | -140.1 | 175.6 | -176.2 | -178 | 0 | 113.5 | R279 I280 F281 | R279-K283 PolarHBondContact O-N 3.19Å; I280-K283 PolarHBondContact O-N 3.13Å; F281-K283 VanDerWaalsContact C-N 3.26Å; F281-K283 PolarHBondContact O-N 3.01Å |
| 284 | K | 42.7 | Very low | 39.5 | Very low | 189 Ų | 189 | 131.6 Ų | 131.6 | 82% | 0.822 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -104.7 | -3.5 | 179.8 | -110.3 | 177.6 | 175.7 | 177.6 | 0 | 114.9 | I280 R286 | I280-K284 PolarHBondContact O-N 3.43Å; K284-R286 PolarHBondContact O-N 2.77Å |
| 285 | G | 38.6 | Very low | 39.1 | Very low | 66 Ų | 66 | 137.5 Ų | 137.5 | 68% | 0.68 | 67% | 0.671 | S | S | * | * | trans | -90.7 | 29.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 286 | R | 32.6 | Very low | 38.5 | Very low | 216 Ų | 216 | 138.3 Ų | 138.3 | 82% | 0.815 | 68% | 0.68 | S | S | * | * | trans | -105.5 | 92.5 | 167.4 | -83.1 | -167.3 | -78.2 | -164.2 | -3.4 | 108.8 | K284 | K284-R286 PolarHBondContact O-N 2.77Š| ||
| 287 | C | 32.8 | Very low | 38.4 | Very low | 208 Ų | 208 | 142.9 Ų | 142.9 | 100% | 1.405 | 70% | 0.7 | S | S | * | * | trans | -81.8 | 0 | 146.6 | -65.7 | 0 | 0 | 0 | 0 | 107.9 |
Retrieved 287 of 287 residues in 144.8 ms
(Link to these results)