| 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 | 43.3 | Very low | 71.3 | Confident | 245 Ų | 245 | 142.2 Ų | 142.2 | 100% | 1.207 | 73% | 0.729 | S | S | * | * | 0 | 114 | 0 | -73.2 | -62.1 | -137.8 | 0 | 0 | 109.8 | |||||
| 2 | G | 55.8 | Low | 72.5 | Confident | 79 Ų | 79 | 135.8 Ų | 135.8 | 81% | 0.814 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -81 | 135.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | S4 | G2-S4 PolarHBondContact O-N 3.45Š|
| 3 | K | 60 | Low | 73.5 | Confident | 209 Ų | 209 | 138.7 Ų | 138.7 | 91% | 0.909 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 130.7 | 179.5 | -65.3 | -178.9 | 179.3 | 179.8 | 0 | 110.5 | K5 | K3-K5 PolarHBondContact O-N 3.09Š|
| 4 | S | 63.7 | Low | 74.3 | Confident | 115 Ų | 115 | 133.3 Ų | 133.3 | 80% | 0.804 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 127 | -178.7 | 50.3 | 0 | 0 | 0 | 0 | 110.9 | G2 T6 | G2-S4 PolarHBondContact O-N 3.45Å; S4-T6 PolarHBondContact O-N 3.21Å |
| 5 | K | 72.1 | Confident | 75.1 | Confident | 136 Ų | 136 | 131.8 Ų | 131.8 | 59% | 0.591 | 68% | 0.678 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 131 | -178.2 | -63.3 | -172.6 | 178.8 | -173.5 | 0 | 110.6 | K3 Q9 K10 | K3-K5 PolarHBondContact O-N 3.09Å; K5-Q9 HydrophobicContact CB-CB 4.37Å; K5-K10 WeakPolarHBondContact O-CE 3.47Å |
| 6 | T | 80.9 | Confident | 75.5 | Confident | 79 Ų | 79 | 127.5 Ų | 127.5 | 49% | 0.485 | 67% | 0.669 | S | S | . | * | P | Polyproline II helix | trans | -65.6 | 159.3 | -173.1 | 63.3 | 0 | 0 | 0 | 0 | 112.1 | S4 N8 Q9 K10 | S4-T6 PolarHBondContact O-N 3.21Å; T6-N8 PolarHBondContact O-N 3.45Å; T6-Q9 PolarHBondContact O-N 3.33Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.33Å; T6-Q9 PolarHBondContact OG1-N 3.02Å; T6-K10 PolarHBondContact O-N 3.02Å |
| 7 | K | 78.3 | Confident | 76.1 | Confident | 185 Ų | 185 | 123.9 Ų | 123.9 | 80% | 0.804 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -53.5 | -41 | 179 | -71.2 | -175 | 178.1 | -179.9 | 0 | 111.8 | K10 K11 | K7-K10 WeakPolarHBondContact O-CB 3.29Å; K7-K10 PolarHBondContact O-N 3.15Å; K7-K11 PolarHBondContact O-N 3.22Å |
| 8 | N | 79.7 | Confident | 76.4 | Confident | 131 Ų | 131 | 123.2 Ų | 123.2 | 70% | 0.701 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -66.9 | -40.2 | 177.8 | -67.7 | 9.4 | 0 | 0 | 0 | 112.6 | T6 K10 K11 S12 | T6-N8 PolarHBondContact O-N 3.45Å; N8-K10 VanDerWaalsContact C-N 3.26Å; N8-K10 PolarHBondContact O-N 2.97Å; N8-K11 PolarHBondContact O-N 2.91Å; N8-S12 PolarHBondContact O-N 3.19Å; N8-S12 PolarHBondContact O-OG 3.32Å |
| 9 | Q | 81.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 121.8 Ų | 121.8 | 49% | 0.491 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -65.2 | -27.7 | 173.6 | -72.3 | 173.9 | -7 | 0 | 0 | 113.1 | K5 T6 R13 | K5-Q9 HydrophobicContact CB-CB 4.37Å; T6-Q9 PolarHBondContact O-N 3.33Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.33Å; T6-Q9 PolarHBondContact OG1-N 3.02Å; Q9-R13 VanDerWaalsContact O-CB 3.31Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 PolarHBondContact O-N 3.19Å |
| 10 | K | 83.8 | Confident | 76.9 | Confident | 140 Ų | 140 | 118.8 Ų | 118.8 | 61% | 0.609 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -73.3 | -45.5 | 171.3 | -65.7 | -177.2 | -179.5 | -175.4 | 0 | 111.2 | K5 T6 K7 N8 R13 A14 | K5-K10 WeakPolarHBondContact O-CE 3.47Å; T6-K10 PolarHBondContact O-N 3.02Å; K7-K10 WeakPolarHBondContact O-CB 3.29Å; K7-K10 PolarHBondContact O-N 3.15Å; N8-K10 VanDerWaalsContact C-N 3.26Å; N8-K10 PolarHBondContact O-N 2.97Å; K10-R13 PolarHBondContact O-N 2.56Å; K10-A14 PolarHBondContact O-N 2.7Å |
| 11 | K | 85.4 | Confident | 76.9 | Confident | 140 Ų | 140 | 117.7 Ų | 117.7 | 61% | 0.609 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -63.7 | -47.6 | 179.1 | -168.6 | 176.1 | -178.8 | 179.2 | 0 | 112.1 | K7 N8 R13 A14 Q15 | K7-K11 PolarHBondContact O-N 3.22Å; N8-K11 PolarHBondContact O-N 2.91Å; K11-R13 VanDerWaalsContact C-N 3.34Å; K11-R13 PolarHBondContact O-N 3.21Å; K11-A14 PolarHBondContact O-N 2.91Å; K11-Q15 WeakPolarHBondContact O-CG 3.31Å; K11-Q15 PolarHBondContact O-N 3.47Å |
| 12 | S | 85.6 | Confident | 78.5 | Confident | 66 Ų | 66 | 109.1 Ų | 109.1 | 46% | 0.462 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65 | -36 | 178 | 64.7 | 0 | 0 | 0 | 0 | 112.5 | N8 Q15 A16 | N8-S12 PolarHBondContact O-N 3.19Å; N8-S12 PolarHBondContact O-OG 3.32Å; S12-Q15 PolarHBondContact O-N 2.99Å; S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.33Å; S12-A16 PolarHBondContact O-N 3.02Å |
| 13 | R | 85.6 | Confident | 79.4 | Confident | 173 Ų | 173 | 107.8 Ų | 107.8 | 65% | 0.653 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -64.9 | -42.1 | 171.9 | -173.2 | -179.1 | -177.2 | -157.4 | 0.5 | 112 | Q9 K10 K11 A16 V17 | Q9-R13 VanDerWaalsContact O-CB 3.31Å; Q9-R13 WeakPolarHBondContact O-CB 3.42Å; Q9-R13 PolarHBondContact O-N 3.19Å; K10-R13 PolarHBondContact O-N 2.56Å; K11-R13 VanDerWaalsContact C-N 3.34Å; K11-R13 PolarHBondContact O-N 3.21Å; R13-A16 PolarHBondContact O-N 3.47Å; R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.45Å |
| 14 | A | 84.9 | Confident | 80.3 | Confident | 63 Ų | 63 | 103.8 Ų | 103.8 | 52% | 0.521 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.9 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | K10 K11 V17 H18 | K10-A14 PolarHBondContact O-N 2.7Å; K11-A14 PolarHBondContact O-N 2.91Å; A14-V17 PolarHBondContact O-N 3.19Å; A14-H18 PolarHBondContact O-N 2.96Å |
| 15 | Q | 85.3 | Confident | 80.8 | Confident | 111 Ų | 111 | 105.9 Ų | 105.9 | 52% | 0.519 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -42.7 | 174.3 | -69.1 | 173.3 | -63.9 | 0 | 0 | 112 | K11 S12 V17 H18 V19 | K11-Q15 WeakPolarHBondContact O-CG 3.31Å; K11-Q15 PolarHBondContact O-N 3.47Å; S12-Q15 PolarHBondContact O-N 2.99Å; Q15-V17 VanDerWaalsContact C-N 3.33Å; Q15-V17 PolarHBondContact O-N 3.06Å; Q15-H18 PolarHBondContact O-N 3.27Å; Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 3.22Å |
| 16 | A | 82.4 | Confident | 81.2 | Confident | 63 Ų | 63 | 103.9 Ų | 103.9 | 52% | 0.521 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -65.7 | -32.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S12 R13 A20 | S12-A16 VanDerWaalsContact O-CB 3.31Å; S12-A16 WeakPolarHBondContact O-CB 3.33Å; S12-A16 PolarHBondContact O-N 3.02Å; R13-A16 PolarHBondContact O-N 3.47Å; A16-A20 VanDerWaalsContact O-CB 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.38Å; A16-A20 PolarHBondContact O-N 3.33Å; A16-A20 VanDerWaalsContact O-N 3.07Å |
| 17 | V | 85.4 | Confident | 81.4 | Confident | 66 Ų | 66 | 101.1 Ų | 101.1 | 40% | 0.4 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.1 | -45.8 | 171.8 | 169.3 | 0 | 0 | 0 | 0 | 110.7 | R13 A14 Q15 V19 A20 E21 | R13-V17 WeakPolarHBondContact O-CG2 3.45Å; R13-V17 PolarHBondContact O-N 3.45Å; A14-V17 PolarHBondContact O-N 3.19Å; Q15-V17 VanDerWaalsContact C-N 3.33Å; Q15-V17 PolarHBondContact O-N 3.06Å; V17-V19 PolarHBondContact O-N 3.41Å; V17-A20 CarbonylContact O-C 3.57Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.09Å; V17-A20 VanDerWaalsContact O-N 3.13Å; V17-E21 HydrophobicContact CG1-CG 4.43Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.42Å; V17-E21 WeakPolarHBondContact O-CG 3.49Å; V17-E21 PolarHBondContact O-N 2.85Å |
| 18 | H | 81.4 | Confident | 81.7 | Confident | 111 Ų | 111 | 93.2 Ų | 93.2 | 51% | 0.514 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -47.7 | 177.4 | -160.1 | -59.3 | 0 | 0 | 0 | 111.8 | A14 Q15 A20 E21 D22 | A14-H18 PolarHBondContact O-N 2.96Å; Q15-H18 PolarHBondContact O-N 3.27Å; H18-A20 VanDerWaalsContact C-N 3.28Å; H18-A20 PolarHBondContact O-N 3.41Å; H18-E21 PolarHBondContact O-N 3.27Å; H18-E21 VanDerWaalsContact O-N 3.15Å; H18-D22 IonicContact CE1-OD1 2.73Å; H18-D22 IonicContact CE1-OD2 2.75Å; H18-D22 PolarHBondContact CE1-OD2 2.95Å; H18-D22 IonicContact CG-OD2 2.54Å; H18-D22 IonicContact ND1-OD1 2.69Å; H18-D22 IonicContact ND1-OD2 3.8Å; H18-D22 PolarHBondContact ND1-OD2 3.23Å; H18-D22 VanDerWaalsContact O-CG 3.3Å; H18-D22 PolarHBondContact O-N 3.14Å |
| 19 | V | 82.4 | Confident | 82.2 | Confident | 98 Ų | 98 | 87.3 Ų | 87.3 | 59% | 0.594 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -62.2 | -35 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 111.8 | Q15 V17 A23 | Q15-V19 WeakPolarHBondContact O-CG2 3.39Å; Q15-V19 PolarHBondContact O-N 3.22Å; V17-V19 PolarHBondContact O-N 3.41Å; V19-A23 WeakPolarHBondContact O-CB 3.42Å; V19-A23 PolarHBondContact O-N 3.27Å |
| 20 | A | 79.8 | Confident | 82.6 | Confident | 60 Ų | 60 | 82.4 Ų | 82.4 | 50% | 0.496 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.8 | -37.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | A16 V17 H18 Y24 | A16-A20 VanDerWaalsContact O-CB 3.28Å; A16-A20 WeakPolarHBondContact O-CB 3.38Å; A16-A20 PolarHBondContact O-N 3.33Å; A16-A20 VanDerWaalsContact O-N 3.07Å; V17-A20 CarbonylContact O-C 3.57Å; V17-A20 WeakPolarHBondContact O-CB 3.4Å; V17-A20 PolarHBondContact O-N 3.09Å; V17-A20 VanDerWaalsContact O-N 3.13Å; H18-A20 VanDerWaalsContact C-N 3.28Å; H18-A20 PolarHBondContact O-N 3.41Å; A20-Y24 VanDerWaalsContact O-CB 3.24Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 2.88Å |
| 21 | E | 78.1 | Confident | 83.1 | Confident | 96 Ų | 96 | 76.1 Ų | 76.1 | 45% | 0.449 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 174.6 | -74.9 | -179.7 | -160.4 | 0 | 0 | 111.9 | V17 H18 Y24 R25 | V17-E21 HydrophobicContact CG1-CG 4.43Å; V17-E21 WeakPolarHBondContact CG1-OE1 3.42Å; V17-E21 WeakPolarHBondContact O-CG 3.49Å; V17-E21 PolarHBondContact O-N 2.85Å; H18-E21 PolarHBondContact O-N 3.27Å; H18-E21 VanDerWaalsContact O-N 3.15Å; E21-Y24 PolarHBondContact O-N 2.97Å; E21-R25 WeakPolarHBondContact O-CB 3.23Å; E21-R25 VanDerWaalsContact O-CG 3.27Å; E21-R25 WeakPolarHBondContact O-CG 3.33Å; E21-R25 PolarHBondContact O-N 2.88Å; E21-R25 IonicContact OE2-NH2 3.18Å |
| 22 | D | 75.3 | Confident | 83.4 | Confident | 66 Ų | 66 | 69.5 Ų | 69.5 | 35% | 0.353 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -68.2 | -40.8 | 175.7 | -63.4 | -35.5 | 0 | 0 | 0 | 111.7 | H18 Y24 R25 S26 | H18-D22 IonicContact CE1-OD1 2.73Å; H18-D22 IonicContact CE1-OD2 2.75Å; H18-D22 PolarHBondContact CE1-OD2 2.95Å; H18-D22 IonicContact CG-OD2 2.54Å; H18-D22 IonicContact ND1-OD1 2.69Å; H18-D22 IonicContact ND1-OD2 3.8Å; H18-D22 PolarHBondContact ND1-OD2 3.23Å; H18-D22 VanDerWaalsContact O-CG 3.3Å; H18-D22 PolarHBondContact O-N 3.14Å; D22-Y24 VanDerWaalsContact C-N 3.31Å; D22-Y24 PolarHBondContact O-N 3.27Å; D22-R25 PolarHBondContact O-N 3.48Å; D22-R25 IonicContact OD1-NH1 3.22Å; D22-R25 PolarHBondContact OD1-NH1 3.14Å; D22-S26 PolarHBondContact O-N 2.96Å; D22-S26 PolarHBondContact O-OG 3.35Å |
| 23 | A | 75.9 | Confident | 83.8 | Confident | 51 Ų | 51 | 66.5 Ų | 66.5 | 42% | 0.421 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63.4 | -36.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | V19 S26 V27 | V19-A23 WeakPolarHBondContact O-CB 3.42Å; V19-A23 PolarHBondContact O-N 3.27Å; A23-S26 PolarHBondContact O-OG 3.13Å; A23-V27 WeakPolarHBondContact O-CG2 3.31Å; A23-V27 PolarHBondContact O-N 3.24Å |
| 24 | Y | 77.9 | Confident | 84 | Confident | 124 Ų | 124 | 61.1 Ų | 61.1 | 49% | 0.486 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.8 | -41.4 | 175 | -170.5 | -89.6 | 0 | 0 | 0 | 111.7 | A20 E21 D22 V27 H29 | A20-Y24 VanDerWaalsContact O-CB 3.24Å; A20-Y24 WeakPolarHBondContact O-CB 3.38Å; A20-Y24 PolarHBondContact O-N 2.88Å; E21-Y24 PolarHBondContact O-N 2.97Å; D22-Y24 VanDerWaalsContact C-N 3.31Å; D22-Y24 PolarHBondContact O-N 3.27Å; Y24-V27 PolarHBondContact O-N 2.97Å; Y24-H29 AromaticContact CD1-CE1 3.77Å; Y24-H29 AromaticContact CD2-CE1 3.7Å; Y24-H29 AromaticContact CD2-NE2 3.72Å; Y24-H29 AromaticContact CE1-CE1 3.67Å; Y24-H29 AromaticContact CE1-NE2 3.7Å; Y24-H29 AromaticContact CE2-CE1 3.61Å; Y24-H29 AromaticContact CE2-NE2 3.16Å; Y24-H29 WeakPolarHBondContact CE2-NE2 3.48Å; Y24-H29 AromaticContact CG-CE1 3.79Å; Y24-H29 AromaticContact CZ-CD2 3.66Å; Y24-H29 AromaticContact CZ-CE1 3.59Å; Y24-H29 AromaticContact CZ-NE2 3.14Å; Y24-H29 PolarHBondContact O-CE1 3.29Å; Y24-H29 PolarHBondContact O-ND1 2.64Å; Y24-H29 PolarHBondContact OH-NE2 3.32Å |
| 25 | R | 76 | Confident | 84.1 | Confident | 159 Ų | 159 | 64 Ų | 64 | 60% | 0.6 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -67 | -33.4 | 176.2 | -73.9 | 168.4 | -179.7 | 158.2 | 3.3 | 113.5 | E21 D22 V27 | E21-R25 WeakPolarHBondContact O-CB 3.23Å; E21-R25 VanDerWaalsContact O-CG 3.27Å; E21-R25 WeakPolarHBondContact O-CG 3.33Å; E21-R25 PolarHBondContact O-N 2.88Å; E21-R25 IonicContact OE2-NH2 3.18Å; D22-R25 PolarHBondContact O-N 3.48Å; D22-R25 IonicContact OD1-NH1 3.22Å; D22-R25 PolarHBondContact OD1-NH1 3.14Å; R25-V27 VanDerWaalsContact C-N 3.29Å |
| 26 | S | 78.8 | Confident | 84.1 | Confident | 95 Ų | 95 | 61.3 Ų | 61.3 | 66% | 0.664 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -74.1 | -20.7 | 178.7 | 71.2 | 0 | 0 | 0 | 0 | 113.3 | D22 A23 | D22-S26 PolarHBondContact O-N 2.96Å; D22-S26 PolarHBondContact O-OG 3.35Å; A23-S26 PolarHBondContact O-OG 3.13Å |
| 27 | V | 84.8 | Confident | 84.1 | Confident | 21 Ų | 21 | 65.3 Ų | 65.3 | 13% | 0.127 | 35% | 0.349 | C | S | . | . | S | Bend | trans | -83.3 | 133.2 | 179.8 | 163.6 | 0 | 0 | 0 | 0 | 111.7 | A23 Y24 R25 H29 Y56 P164 | A23-V27 WeakPolarHBondContact O-CG2 3.31Å; A23-V27 PolarHBondContact O-N 3.24Å; Y24-V27 PolarHBondContact O-N 2.97Å; R25-V27 VanDerWaalsContact C-N 3.29Å; V27-H29 PolarHBondContact O-N 2.91Å; V27-H29 PolarHBondContact O-ND1 3.01Å; V27-Y56 HydrophobicContact CG1-CD1 3.6Å; V27-Y56 HydrophobicContact CG1-CD2 3.49Å; V27-Y56 VanDerWaalsContact CG1-CD2 3.49Å; V27-Y56 HydrophobicContact CG1-CE1 3.78Å; V27-Y56 HydrophobicContact CG1-CE2 3.66Å; V27-Y56 HydrophobicContact CG1-CG 3.45Å; V27-Y56 VanDerWaalsContact CG1-CG 3.45Å; V27-P164 HydrophobicContact CG1-CG 4.28Å |
| 28 | P | 86.6 | Confident | 84 | Confident | 19 Ų | 19 | 63.5 Ų | 63.5 | 12% | 0.123 | 34% | 0.337 | C | S | . | . | trans | -68.7 | 100 | 178 | 26.6 | -33.6 | 0 | 0 | 0 | 112.2 | T82 N161 F163 | P28-T82 WeakPolarHBondContact CA-OG1 3.27Å; P28-T82 WeakPolarHBondContact CB-OG1 3.5Å; P28-N161 WeakPolarHBondContact CB-O 3.5Å; P28-N161 WeakPolarHBondContact CG-O 3.36Å; P28-F163 VanDerWaalsContact CG-C 3.45Å; P28-F163 WeakPolarHBondContact CG-O 3.32Å | ||
| 29 | H | 89.6 | Confident | 84.2 | Confident | 6 Ų | 6 | 60.2 Ų | 60.2 | 3% | 0.028 | 33% | 0.333 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 143.7 | 175.9 | -79.5 | 79.6 | 0 | 0 | 0 | 112.5 | Y24 V27 Y56 V81 T82 H83 | Y24-H29 AromaticContact CD1-CE1 3.77Å; Y24-H29 AromaticContact CD2-CE1 3.7Å; Y24-H29 AromaticContact CD2-NE2 3.72Å; Y24-H29 AromaticContact CE1-CE1 3.67Å; Y24-H29 AromaticContact CE1-NE2 3.7Å; Y24-H29 AromaticContact CE2-CE1 3.61Å; Y24-H29 AromaticContact CE2-NE2 3.16Å; Y24-H29 WeakPolarHBondContact CE2-NE2 3.48Å; Y24-H29 AromaticContact CG-CE1 3.79Å; Y24-H29 AromaticContact CZ-CD2 3.66Å; Y24-H29 AromaticContact CZ-CE1 3.59Å; Y24-H29 AromaticContact CZ-NE2 3.14Å; Y24-H29 PolarHBondContact O-CE1 3.29Å; Y24-H29 PolarHBondContact O-ND1 2.64Å; Y24-H29 PolarHBondContact OH-NE2 3.32Å; V27-H29 PolarHBondContact O-N 2.91Å; V27-H29 PolarHBondContact O-ND1 3.01Å; H29-Y56 PolarHBondContact CD2-O 2.93Å; H29-Y56 AromaticContact CE1-CD1 3.85Å; H29-Y56 AromaticContact NE2-CD1 3.43Å; H29-Y56 WeakPolarHBondContact NE2-CD1 3.35Å; H29-Y56 AromaticContact NE2-CG 3.97Å; H29-V81 HydrophobicContact CB-CG2 4.34Å; H29-T82 PolarHBondContact N-OG1 2.81Å; H29-T82 PolarHBondContact O-N 3.03Å; H29-T82 PolarHBondContact O-OG1 3Å; H29-H83 PolarHBondContact O-N 3.07Å; H29-H83 VanDerWaalsContact O-N 3.16Å |
| 30 | S | 90.6 | Very high | 84.5 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.014 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 138.8 | -174.1 | -72.4 | 0 | 0 | 0 | 0 | 113.5 | Y56 T57 H83 | S30-Y56 PolarHBondContact N-O 3.46Å; S30-T57 WeakPolarHBondContact O-CA 3.29Å; S30-T57 PolarHBondContact O-OG1 3.26Å; S30-H83 CarbonylContact C-O 3.57Å; S30-H83 WeakPolarHBondContact CA-O 3.32Å |
| 31 | F | 92.7 | Very high | 85 | Confident | 9 Ų | 9 | 65.6 Ų | 65.6 | 4% | 0.039 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 120.4 | 168 | -85.3 | 1.9 | 0 | 0 | 0 | 110.6 | F33 A58 L61 V75 L79 V81 H83 F84 V85 | F31-F33 HydrophobicContact CB-CD1 4.2Å; F31-F33 HydrophobicContact CB-CE1 4.35Å; F31-A58 HydrophobicContact CD1-CB 3.87Å; F31-A58 HydrophobicContact CE1-CB 3.54Å; F31-L61 HydrophobicContact CB-CD2 4.31Å; F31-L61 HydrophobicContact CD1-CD2 4.29Å; F31-L61 HydrophobicContact CD2-CD2 4.06Å; F31-L61 HydrophobicContact CE2-CD2 4.43Å; F31-L61 HydrophobicContact CG-CD2 3.97Å; F31-V75 HydrophobicContact CE2-CG1 4.11Å; F31-V75 HydrophobicContact CZ-CG1 4.23Å; F31-L79 HydrophobicContact CZ-CD1 3.85Å; F31-V81 HydrophobicContact CB-CG1 4.04Å; F31-V81 HydrophobicContact CD1-CG1 3.94Å; F31-V81 HydrophobicContact CD1-CG2 3.81Å; F31-V81 HydrophobicContact CD2-CG1 4.19Å; F31-V81 HydrophobicContact CD2-CG2 4.44Å; F31-V81 HydrophobicContact CE1-CG1 4.49Å; F31-V81 HydrophobicContact CE1-CG2 3.53Å; F31-V81 HydrophobicContact CE2-CG2 4.2Å; F31-V81 HydrophobicContact CG-CG1 3.78Å; F31-V81 HydrophobicContact CG-CG2 4.28Å; F31-V81 HydrophobicContact CZ-CG2 3.76Å; F31-H83 PolarHBondContact N-O 2.89Å; F31-F84 HydrophobicContact CB-CD1 3.75Å; F31-F84 HydrophobicContact CB-CE1 3.96Å; F31-F84 HydrophobicContact CD2-CD1 4.37Å; F31-F84 AromaticContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CZ 4.31Å; F31-F84 HydrophobicContact CG-CD1 4.46Å; F31-F84 HydrophobicContact CG-CE1 4.18Å; F31-F84 CarbonylContact O-C 3.58Å; F31-F84 WeakPolarHBondContact O-CA 3.42Å; F31-V85 PolarHBondContact O-N 3.14Å |
| 32 | V | 92.9 | Very high | 85.6 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | 117.7 | 177.3 | -174.9 | 0 | 0 | 0 | 0 | 109.2 | V46 M49 R50 M53 T57 V85 F87 | V32-V46 HydrophobicContact CG1-CG1 4.41Å; V32-M49 HydrophobicContact CG1-CB 3.93Å; V32-M49 HydrophobicContact CG1-CG 3.82Å; V32-M49 HydrophobicContact CG2-CG 4.38Å; V32-R50 HydrophobicContact CB-CG 3.75Å; V32-R50 HydrophobicContact CG1-CG 4.2Å; V32-R50 HydrophobicContact CG2-CG 4.4Å; V32-R50 VanDerWaalsContact O-CZ 3.28Å; V32-R50 PolarHBondContact O-NE 3.38Å; V32-R50 PolarHBondContact O-NH2 3.32Å; V32-M53 HydrophobicContact CG2-CB 4.44Å; V32-M53 HydrophobicContact CG2-CG 4.15Å; V32-T57 HydrophobicContact CG2-CG2 4.08Å; V32-V85 WeakPolarHBondContact CA-O 3.33Å; V32-V85 HydrophobicContact CB-CB 4.43Å; V32-V85 HydrophobicContact CG1-CB 4.23Å; V32-V85 HydrophobicContact CG1-CG1 4.41Å; V32-V85 HydrophobicContact CG2-CB 4.13Å; V32-V85 HydrophobicContact CG2-CG2 4.29Å; V32-F87 HydrophobicContact CG1-CD2 4.4Å; V32-F87 HydrophobicContact CG1-CE2 3.97Å |
| 33 | F | 92.5 | Very high | 86.3 | Confident | 3 Ų | 3 | 58.8 Ų | 58.8 | 1% | 0.013 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 172.9 | -176.4 | 63.4 | -86.6 | 0 | 0 | 0 | 114.5 | F31 L61 V63 L69 F72 F84 V85 I86 F87 | F31-F33 HydrophobicContact CB-CD1 4.2Å; F31-F33 HydrophobicContact CB-CE1 4.35Å; F33-L61 HydrophobicContact CB-CD2 4.45Å; F33-V63 HydrophobicContact CB-CG2 3.7Å; F33-V63 HydrophobicContact CD2-CG2 4.49Å; F33-V63 HydrophobicContact CG-CG2 4.4Å; F33-L69 HydrophobicContact CZ-CD1 4.01Å; F33-F72 HydrophobicContact CD2-CD2 4.34Å; F33-F72 HydrophobicContact CD2-CE2 4.16Å; F33-F72 HydrophobicContact CD2-CZ 4.33Å; F33-F72 HydrophobicContact CE1-CB 4.44Å; F33-F72 HydrophobicContact CE1-CD1 4.48Å; F33-F72 HydrophobicContact CE1-CG 4.28Å; F33-F72 AromaticContact CE2-CD2 3.71Å; F33-F72 HydrophobicContact CE2-CD2 3.71Å; F33-F72 AromaticContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CG 4.09Å; F33-F72 HydrophobicContact CE2-CZ 4.49Å; F33-F72 HydrophobicContact CZ-CB 4.09Å; F33-F72 HydrophobicContact CZ-CD1 4.44Å; F33-F72 AromaticContact CZ-CD2 3.91Å; F33-F72 HydrophobicContact CZ-CD2 3.91Å; F33-F72 AromaticContact CZ-CG 3.87Å; F33-F72 HydrophobicContact CZ-CG 3.87Å; F33-F84 HydrophobicContact CE1-CB 4.12Å; F33-F84 HydrophobicContact CE1-CD1 4.25Å; F33-F84 AromaticContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CE2 4.2Å; F33-F84 AromaticContact CE1-CG 3.78Å; F33-F84 HydrophobicContact CE1-CG 3.78Å; F33-F84 AromaticContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CE2 4.18Å; F33-F84 HydrophobicContact CZ-CG 4.3Å; F33-V85 PolarHBondContact N-O 2.88Å; F33-I86 HydrophobicContact CD2-CG2 4.2Å; F33-I86 HydrophobicContact CE1-CD1 4.41Å; F33-I86 HydrophobicContact CE1-CG1 3.98Å; F33-I86 HydrophobicContact CE2-CD1 4.12Å; F33-I86 HydrophobicContact CE2-CG1 4.02Å; F33-I86 HydrophobicContact CE2-CG2 3.91Å; F33-I86 HydrophobicContact CZ-CD1 3.7Å; F33-I86 HydrophobicContact CZ-CG1 3.66Å; F33-I86 HydrophobicContact CZ-CG2 4.43Å; F33-I86 WeakPolarHBondContact O-CA 3.3Å; F33-F87 PolarHBondContact O-N 3.46Å |
| 34 | Q | 91.3 | Very high | 87.1 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 146 | 177.7 | 62 | -167.9 | 42.6 | 0 | 0 | 111.7 | V38 V46 F87 | Q34-V38 HydrophobicContact CB-CG1 4.36Å; Q34-V38 HydrophobicContact CB-CG2 3.75Å; Q34-V38 HydrophobicContact CG-CG2 3.95Å; Q34-V46 HydrophobicContact CB-CG2 4.16Å; Q34-F87 CarbonylContact C-O 3.47Å; Q34-F87 WeakPolarHBondContact CA-O 3.39Å |
| 35 | R | 87.3 | Confident | 87.8 | Confident | 124 Ų | 124 | 52.6 Ų | 52.6 | 47% | 0.468 | 28% | 0.279 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 137 | 174.7 | -178.2 | 174.8 | 175.6 | 173.1 | -1.3 | 110.5 | I86 F87 | R35-I86 HydrophobicContact CB-CG2 3.77Å; R35-F87 PolarHBondContact N-O 3.34Å |
| 36 | G | 84.2 | Confident | 88.6 | Confident | 54 Ų | 54 | 45.2 Ų | 45.2 | 56% | 0.557 | 25% | 0.252 | S | S | * | . | S | Bend | trans | 79.9 | -161.2 | -179 | 0 | 0 | 0 | 0 | 0 | 113.5 | V38 | G36-V38 PolarHBondContact O-N 3.34Š|
| 37 | Q | 82.4 | Confident | 89.2 | Confident | 148 Ų | 148 | 46.2 Ų | 46.2 | 69% | 0.692 | 25% | 0.246 | S | C | * | . | S | Bend | trans | -89.2 | 102.7 | 177.9 | -54.8 | -148.6 | 73.8 | 0 | 0 | 109.7 | ||
| 38 | V | 84.6 | Confident | 89.6 | Confident | 27 Ų | 27 | 45.6 Ų | 45.6 | 16% | 0.164 | 24% | 0.241 | C | C | . | . | trans | -111.6 | 147.5 | 177.4 | -52.4 | 0 | 0 | 0 | 0 | 111.3 | Q34 G36 V42 K89 | Q34-V38 HydrophobicContact CB-CG1 4.36Å; Q34-V38 HydrophobicContact CB-CG2 3.75Å; Q34-V38 HydrophobicContact CG-CG2 3.95Å; G36-V38 PolarHBondContact O-N 3.34Å; V38-V42 HydrophobicContact CB-CB 3.95Å; V38-V42 HydrophobicContact CB-CG1 3.9Å; V38-V42 HydrophobicContact CG1-CG1 4.2Å; V38-V42 HydrophobicContact CG2-CB 4.2Å; V38-V42 HydrophobicContact CG2-CG1 4.1Å; V38-K89 HydrophobicContact CG1-CB 4.11Å | ||
| 39 | G | 85.4 | Confident | 89.8 | Confident | 42 Ų | 42 | 45 Ų | 45 | 43% | 0.433 | 24% | 0.237 | S | C | . | . | trans | -75.2 | 168.1 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | N41 V42 G43 | G39-N41 PolarHBondContact O-N 3.01Å; G39-N41 VanDerWaalsContact O-N 3.13Å; G39-V42 PolarHBondContact O-N 2.93Å; G39-V42 VanDerWaalsContact O-N 3.14Å; G39-G43 PolarHBondContact O-N 3.44Å | ||
| 40 | K | 88.5 | Confident | 89.9 | Confident | 186 Ų | 186 | 45.8 Ų | 45.8 | 81% | 0.809 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -52.3 | -36 | -179.4 | -67.1 | 177.8 | -178.8 | 173.6 | 0 | 113.2 | G43 Q44 | K40-G43 PolarHBondContact O-N 2.87Å; K40-Q44 WeakPolarHBondContact O-CG 3.36Å; K40-Q44 PolarHBondContact O-N 3Å; K40-Q44 PolarHBondContact O-NE2 2.81Å |
| 41 | N | 90.6 | Very high | 89.9 | Confident | 86 Ų | 86 | 49.1 Ų | 49.1 | 46% | 0.46 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -69.9 | -44.5 | -178.3 | -58.1 | 16.5 | 0 | 0 | 0 | 111.3 | G39 G43 Q44 L45 Y114 | G39-N41 PolarHBondContact O-N 3.01Å; G39-N41 VanDerWaalsContact O-N 3.13Å; N41-G43 VanDerWaalsContact C-N 3.31Å; N41-G43 PolarHBondContact O-N 3.16Å; N41-Q44 WeakPolarHBondContact O-CB 3.49Å; N41-Q44 PolarHBondContact O-N 3.24Å; N41-Q44 VanDerWaalsContact O-N 3.12Å; N41-L45 PolarHBondContact O-N 2.94Å; N41-Y114 HydrophobicContact CB-CE2 4.37Å |
| 42 | V | 89.9 | Confident | 89.8 | Confident | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.03 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65 | -37.2 | 174.9 | -177.4 | 0 | 0 | 0 | 0 | 110.7 | V38 G39 Q44 L45 V46 F87 I94 | V38-V42 HydrophobicContact CB-CB 3.95Å; V38-V42 HydrophobicContact CB-CG1 3.9Å; V38-V42 HydrophobicContact CG1-CG1 4.2Å; V38-V42 HydrophobicContact CG2-CB 4.2Å; V38-V42 HydrophobicContact CG2-CG1 4.1Å; G39-V42 PolarHBondContact O-N 2.93Å; G39-V42 VanDerWaalsContact O-N 3.14Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.13Å; V42-L45 PolarHBondContact O-N 3.49Å; V42-V46 VanDerWaalsContact O-CG2 3.23Å; V42-V46 WeakPolarHBondContact O-CG2 3.5Å; V42-V46 PolarHBondContact O-N 3Å; V42-F87 HydrophobicContact CG1-CB 4.1Å; V42-I94 HydrophobicContact CG2-CD1 3.78Å; V42-I94 HydrophobicContact CG2-CG1 4.16Å |
| 43 | G | 90.7 | Very high | 89.5 | Confident | 14 Ų | 14 | 49.1 Ų | 49.1 | 14% | 0.144 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.5 | -32.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | G39 K40 N41 Q47 | G39-G43 PolarHBondContact O-N 3.44Å; K40-G43 PolarHBondContact O-N 2.87Å; N41-G43 VanDerWaalsContact C-N 3.31Å; N41-G43 PolarHBondContact O-N 3.16Å; G43-Q47 WeakPolarHBondContact O-CG 3.4Å; G43-Q47 PolarHBondContact O-N 2.81Å |
| 44 | Q | 92 | Very high | 89.3 | Confident | 45 Ų | 45 | 51.1 Ų | 51.1 | 21% | 0.21 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -74.3 | -42 | 171.6 | -74.2 | 174.7 | 88.2 | 0 | 0 | 111.7 | K40 N41 V42 V46 Q47 D48 L116 | K40-Q44 WeakPolarHBondContact O-CG 3.36Å; K40-Q44 PolarHBondContact O-N 3Å; K40-Q44 PolarHBondContact O-NE2 2.81Å; N41-Q44 WeakPolarHBondContact O-CB 3.49Å; N41-Q44 PolarHBondContact O-N 3.24Å; N41-Q44 VanDerWaalsContact O-N 3.12Å; V42-Q44 VanDerWaalsContact C-N 3.29Å; V42-Q44 PolarHBondContact O-N 3.13Å; Q44-V46 VanDerWaalsContact C-N 3.26Å; Q44-V46 PolarHBondContact O-N 3.09Å; Q44-Q47 CarbonylContact O-C 3.58Å; Q44-Q47 WeakPolarHBondContact O-CA 3.41Å; Q44-Q47 WeakPolarHBondContact O-CB 3.27Å; Q44-Q47 PolarHBondContact O-N 3.39Å; Q44-D48 PolarHBondContact O-N 3.34Å; Q44-L116 HydrophobicContact CB-CD1 4.03Å; Q44-L116 HydrophobicContact CB-CD2 4.2Å |
| 45 | L | 92.9 | Very high | 89 | Confident | 0 Ų | 0 | 50.8 Ų | 50.8 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -57.5 | -38.5 | 174.4 | -173.8 | 63.8 | 0 | 0 | 0 | 112.1 | N41 V42 D48 M49 F87 Y114 L116 P276 M278 | N41-L45 PolarHBondContact O-N 2.94Å; V42-L45 PolarHBondContact O-N 3.49Å; L45-D48 PolarHBondContact O-N 2.94Å; L45-M49 WeakPolarHBondContact O-CB 3.49Å; L45-M49 PolarHBondContact O-N 2.9Å; L45-F87 HydrophobicContact CD2-CD1 4.27Å; L45-F87 HydrophobicContact CD2-CE1 3.9Å; L45-F87 HydrophobicContact CG-CE1 4.27Å; L45-Y114 HydrophobicContact CD2-CD2 4.02Å; L45-Y114 HydrophobicContact CD2-CG 4.31Å; L45-L116 HydrophobicContact CB-CD2 3.87Å; L45-L116 HydrophobicContact CD1-CD2 4.35Å; L45-P276 HydrophobicContact CD1-CB 3.71Å; L45-P276 HydrophobicContact CD1-CG 4Å; L45-M278 HydrophobicContact CD1-CG 4.39Å; L45-M278 HydrophobicContact CD1-SD 3.99Å; L45-M278 HydrophobicContact CD2-CE 4.12Å; L45-M278 HydrophobicContact CD2-SD 4.17Å; L45-M278 HydrophobicContact CG-SD 4.41Å |
| 46 | V | 92.6 | Very high | 89 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 2% | 0.024 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -63.6 | -40.8 | 173 | 169 | 0 | 0 | 0 | 0 | 111.7 | V32 Q34 V42 Q44 R50 F87 | V32-V46 HydrophobicContact CG1-CG1 4.41Å; Q34-V46 HydrophobicContact CB-CG2 4.16Å; V42-V46 VanDerWaalsContact O-CG2 3.23Å; V42-V46 WeakPolarHBondContact O-CG2 3.5Å; V42-V46 PolarHBondContact O-N 3Å; Q44-V46 VanDerWaalsContact C-N 3.26Å; Q44-V46 PolarHBondContact O-N 3.09Å; V46-R50 VanDerWaalsContact O-CG 3.27Å; V46-R50 WeakPolarHBondContact O-CG 3.4Å; V46-R50 PolarHBondContact O-N 3.23Å; V46-F87 HydrophobicContact CG2-CB 3.89Å; V46-F87 HydrophobicContact CG2-CD2 3.6Å; V46-F87 HydrophobicContact CG2-CE2 4.38Å; V46-F87 HydrophobicContact CG2-CG 3.91Å |
| 47 | Q | 91.3 | Very high | 89.1 | Confident | 116 Ų | 116 | 46.2 Ų | 46.2 | 54% | 0.542 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -69.2 | -36.4 | 175.2 | -69 | 172.9 | 15.9 | 0 | 0 | 112.2 | G43 Q44 R50 K51 | G43-Q47 WeakPolarHBondContact O-CG 3.4Å; G43-Q47 PolarHBondContact O-N 2.81Å; Q44-Q47 CarbonylContact O-C 3.58Å; Q44-Q47 WeakPolarHBondContact O-CA 3.41Å; Q44-Q47 WeakPolarHBondContact O-CB 3.27Å; Q44-Q47 PolarHBondContact O-N 3.39Å; Q47-R50 WeakPolarHBondContact O-CB 3.4Å; Q47-R50 PolarHBondContact O-N 2.61Å; Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.85Å |
| 48 | D | 92.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 40.7 Ų | 40.7 | 4% | 0.037 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.7 | -42.8 | 178.3 | -74.4 | -13.3 | 0 | 0 | 0 | 111.3 | Q44 L45 R50 K51 V52 I117 P276 | Q44-D48 PolarHBondContact O-N 3.34Å; L45-D48 PolarHBondContact O-N 2.94Å; D48-R50 VanDerWaalsContact C-N 3.31Å; D48-R50 PolarHBondContact O-N 3.24Å; D48-K51 WeakPolarHBondContact O-CB 3.42Å; D48-K51 PolarHBondContact O-N 2.81Å; D48-K51 IonicContact OD1-NZ 2.65Å; D48-K51 PolarHBondContact OD1-NZ 2.84Å; D48-V52 PolarHBondContact O-N 2.81Å; D48-V52 VanDerWaalsContact O-N 3.13Å; D48-I117 HydrophobicContact CB-CB 4.49Å; D48-I117 HydrophobicContact CB-CD1 3.55Å; D48-I117 HydrophobicContact CB-CG1 3.75Å; D48-I117 VanDerWaalsContact CG-CD1 3.5Å; D48-I117 VanDerWaalsContact CG-CG1 3.48Å; D48-I117 WeakPolarHBondContact OD2-CB 3.2Å; D48-I117 WeakPolarHBondContact OD2-CG1 3.28Å; D48-I117 PolarHBondContact OD2-N 2.96Å; D48-P276 HydrophobicContact CB-CG 4.2Å |
| 49 | M | 91.6 | Very high | 88.9 | Confident | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.034 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.4 | -33.6 | 172 | -173.2 | 61 | 176.1 | 0 | 0 | 112.1 | V32 L45 K51 V52 M53 F87 F193 | V32-M49 HydrophobicContact CG1-CB 3.93Å; V32-M49 HydrophobicContact CG1-CG 3.82Å; V32-M49 HydrophobicContact CG2-CG 4.38Å; L45-M49 WeakPolarHBondContact O-CB 3.49Å; L45-M49 PolarHBondContact O-N 2.9Å; M49-K51 VanDerWaalsContact C-N 3.31Å; M49-K51 PolarHBondContact O-N 2.96Å; M49-V52 PolarHBondContact O-N 3.26Å; M49-V52 HydrophobicContact SD-CB 4.32Å; M49-M53 HydrophobicContact CE-CG 4.14Å; M49-M53 HydrophobicContact CE-SD 4.12Å; M49-M53 WeakPolarHBondContact O-CG 3.41Å; M49-M53 PolarHBondContact O-N 2.87Å; M49-M53 VanDerWaalsContact O-N 3.12Å; M49-F87 HydrophobicContact CB-CE2 4.17Å; M49-F87 HydrophobicContact CB-CZ 4.3Å; M49-F87 HydrophobicContact CG-CE2 4.11Å; M49-F87 HydrophobicContact CG-CZ 4.22Å; M49-F193 HydrophobicContact CE-CE2 4.29Å; M49-F193 HydrophobicContact CE-CZ 4.22Å; M49-F193 HydrophobicContact SD-CE1 4.36Å; M49-F193 HydrophobicContact SD-CE2 4.39Å; M49-F193 HydrophobicContact SD-CZ 3.73Å |
| 50 | R | 91.9 | Very high | 88.8 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.9 | -38.1 | 169 | -77.4 | 172.2 | -174.2 | -165.6 | 1.1 | 112.9 | V32 V46 Q47 D48 M53 Q54 T57 V59 L61 | V32-R50 HydrophobicContact CB-CG 3.75Å; V32-R50 HydrophobicContact CG1-CG 4.2Å; V32-R50 HydrophobicContact CG2-CG 4.4Å; V32-R50 VanDerWaalsContact O-CZ 3.28Å; V32-R50 PolarHBondContact O-NE 3.38Å; V32-R50 PolarHBondContact O-NH2 3.32Å; V46-R50 VanDerWaalsContact O-CG 3.27Å; V46-R50 WeakPolarHBondContact O-CG 3.4Å; V46-R50 PolarHBondContact O-N 3.23Å; Q47-R50 WeakPolarHBondContact O-CB 3.4Å; Q47-R50 PolarHBondContact O-N 2.61Å; D48-R50 VanDerWaalsContact C-N 3.31Å; D48-R50 PolarHBondContact O-N 3.24Å; R50-M53 PolarHBondContact O-N 3.48Å; R50-Q54 WeakPolarHBondContact O-CG 3.44Å; R50-Q54 PolarHBondContact O-N 3.47Å; R50-T57 HydrophobicContact CB-CG2 4.35Å; R50-T57 HydrophobicContact CG-CG2 4.08Å; R50-V59 PolarHBondContact NH1-O 3.34Å; R50-L61 VanDerWaalsContact CZ-O 3.24Å; R50-L61 PolarHBondContact NH1-O 3.01Å; R50-L61 PolarHBondContact NH2-O 2.75Å |
| 51 | K | 89.7 | Confident | 88.7 | Confident | 72 Ų | 72 | 38.6 Ų | 38.6 | 31% | 0.313 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 175.9 | -63.1 | 164.7 | -166.9 | 161.3 | 0 | 110.9 | Q47 D48 M49 M53 Q54 I117 F134 | Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.85Å; D48-K51 WeakPolarHBondContact O-CB 3.42Å; D48-K51 PolarHBondContact O-N 2.81Å; D48-K51 IonicContact OD1-NZ 2.65Å; D48-K51 PolarHBondContact OD1-NZ 2.84Å; M49-K51 VanDerWaalsContact C-N 3.31Å; M49-K51 PolarHBondContact O-N 2.96Å; K51-M53 VanDerWaalsContact C-N 3.27Å; K51-M53 PolarHBondContact O-N 3.1Å; K51-Q54 WeakPolarHBondContact O-CB 3.37Å; K51-Q54 PolarHBondContact O-N 3.14Å; K51-I117 HydrophobicContact CD-CD1 4.02Å; K51-F134 HydrophobicContact CB-CD1 4.24Å; K51-F134 HydrophobicContact CB-CE1 3.96Å; K51-F134 WeakPolarHBondContact O-CD1 3.46Å |
| 52 | V | 90.3 | Very high | 88.4 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -54.4 | -46.6 | 176.2 | 179.6 | 0 | 0 | 0 | 0 | 110.6 | D48 M49 Q54 R178 V180 F193 H195 | D48-V52 PolarHBondContact O-N 2.81Å; D48-V52 VanDerWaalsContact O-N 3.13Å; M49-V52 PolarHBondContact O-N 3.26Å; M49-V52 HydrophobicContact SD-CB 4.32Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.14Å; V52-R178 PolarHBondContact O-NH1 2.85Å; V52-V180 HydrophobicContact CG1-CG2 3.51Å; V52-F193 HydrophobicContact CG1-CZ 4.21Å; V52-F193 HydrophobicContact CG2-CZ 4.43Å; V52-H195 HydrophobicContact CG1-CB 4.44Å; V52-H195 HydrophobicContact CG2-CB 4.29Å |
| 53 | M | 88.4 | Confident | 88.3 | Confident | 9 Ų | 9 | 45.4 Ų | 45.4 | 4% | 0.044 | 24% | 0.24 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 11.5 | -175.9 | -56.6 | -57.2 | -61.2 | 0 | 0 | 115.2 | V32 M49 R50 K51 Y56 T57 M162 F163 | V32-M53 HydrophobicContact CG2-CB 4.44Å; V32-M53 HydrophobicContact CG2-CG 4.15Å; M49-M53 HydrophobicContact CE-CG 4.14Å; M49-M53 HydrophobicContact CE-SD 4.12Å; M49-M53 WeakPolarHBondContact O-CG 3.41Å; M49-M53 PolarHBondContact O-N 2.87Å; M49-M53 VanDerWaalsContact O-N 3.12Å; R50-M53 PolarHBondContact O-N 3.48Å; K51-M53 VanDerWaalsContact C-N 3.27Å; K51-M53 PolarHBondContact O-N 3.1Å; M53-Y56 PolarHBondContact O-N 2.77Å; M53-T57 HydrophobicContact CB-CG2 4.32Å; M53-T57 WeakPolarHBondContact CB-OG1 3.5Å; M53-T57 VanDerWaalsContact O-CB 3.3Å; M53-T57 WeakPolarHBondContact O-CB 3.44Å; M53-T57 PolarHBondContact O-OG1 3.33Å; M53-M162 HydrophobicContact CE-CE 3.84Å; M53-M162 HydrophobicContact CE-CG 3.7Å; M53-M162 HydrophobicContact CE-SD 3.99Å; M53-M162 HydrophobicContact SD-CE 3.96Å; M53-F163 HydrophobicContact CE-CD1 4.1Å; M53-F163 HydrophobicContact CE-CE1 3.47Å; M53-F163 VanDerWaalsContact CE-CE1 3.47Å; M53-F163 HydrophobicContact CE-CZ 3.75Å; M53-F163 HydrophobicContact SD-CE1 3.52Å; M53-F163 VanDerWaalsContact SD-CE1 3.52Å; M53-F163 HydrophobicContact SD-CZ 3.5Å; M53-F163 VanDerWaalsContact SD-CZ 3.5Å |
| 54 | Q | 86.7 | Confident | 88 | Confident | 45 Ų | 45 | 54.2 Ų | 54.2 | 21% | 0.21 | 27% | 0.269 | C | S | . | . | trans | -69.7 | 151 | 169.7 | -68.7 | -177.3 | 18 | 0 | 0 | 111.2 | R50 K51 V52 V59 F134 R178 | R50-Q54 WeakPolarHBondContact O-CG 3.44Å; R50-Q54 PolarHBondContact O-N 3.47Å; K51-Q54 WeakPolarHBondContact O-CB 3.37Å; K51-Q54 PolarHBondContact O-N 3.14Å; V52-Q54 VanDerWaalsContact C-N 3.3Å; V52-Q54 PolarHBondContact O-N 3.14Å; Q54-V59 HydrophobicContact CG-CG2 3.9Å; Q54-F134 CarbonylContact C-O 3.6Å; Q54-F134 HydrophobicContact CB-CB 4.25Å; Q54-F134 WeakPolarHBondContact CB-O 3.34Å; Q54-R178 PolarHBondContact O-NH2 2.82Å | ||
| 55 | P | 85.6 | Confident | 87.5 | Confident | 52 Ų | 52 | 60 Ų | 60 | 34% | 0.338 | 29% | 0.293 | S | S | . | . | S | Bend | cis | -82.7 | -19.2 | 1.7 | 33.3 | -37.1 | 0 | 0 | 0 | 114.6 | T57 | P55-T57 PolarHBondContact O-N 3.1Š|
| 56 | Y | 86.8 | Confident | 87.2 | Confident | 70 Ų | 70 | 69.3 Ų | 69.3 | 28% | 0.275 | 33% | 0.334 | S | S | . | . | S | Bend | trans | -80.2 | 36.9 | -166.9 | -52.1 | -56.5 | 0 | 0 | 0 | 114.6 | V27 H29 S30 M53 H137 P164 | V27-Y56 HydrophobicContact CG1-CD1 3.6Å; V27-Y56 HydrophobicContact CG1-CD2 3.49Å; V27-Y56 VanDerWaalsContact CG1-CD2 3.49Å; V27-Y56 HydrophobicContact CG1-CE1 3.78Å; V27-Y56 HydrophobicContact CG1-CE2 3.66Å; V27-Y56 HydrophobicContact CG1-CG 3.45Å; V27-Y56 VanDerWaalsContact CG1-CG 3.45Å; H29-Y56 PolarHBondContact CD2-O 2.93Å; H29-Y56 AromaticContact CE1-CD1 3.85Å; H29-Y56 AromaticContact NE2-CD1 3.43Å; H29-Y56 WeakPolarHBondContact NE2-CD1 3.35Å; H29-Y56 AromaticContact NE2-CG 3.97Å; S30-Y56 PolarHBondContact N-O 3.46Å; M53-Y56 PolarHBondContact O-N 2.77Å; Y56-H137 HydrophobicContact CD2-CB 4.29Å; Y56-H137 HydrophobicContact CE2-CB 4.01Å; Y56-P164 HydrophobicContact CD2-CG 4.06Å; Y56-P164 HydrophobicContact CE2-CG 3.73Å |
| 57 | T | 86.1 | Confident | 86.9 | Confident | 13 Ų | 13 | 71.8 Ų | 71.8 | 8% | 0.08 | 35% | 0.347 | C | S | . | . | B | Isolated β-bridge | trans | -138.7 | 136.6 | -177.1 | -69.3 | 0 | 0 | 0 | 0 | 112.1 | S30 V32 R50 M53 P55 V59 | S30-T57 WeakPolarHBondContact O-CA 3.29Å; S30-T57 PolarHBondContact O-OG1 3.26Å; V32-T57 HydrophobicContact CG2-CG2 4.08Å; R50-T57 HydrophobicContact CB-CG2 4.35Å; R50-T57 HydrophobicContact CG-CG2 4.08Å; M53-T57 HydrophobicContact CB-CG2 4.32Å; M53-T57 WeakPolarHBondContact CB-OG1 3.5Å; M53-T57 VanDerWaalsContact O-CB 3.3Å; M53-T57 WeakPolarHBondContact O-CB 3.44Å; M53-T57 PolarHBondContact O-OG1 3.33Å; P55-T57 PolarHBondContact O-N 3.1Å; T57-V59 VanDerWaalsContact C-N 3.34Å; T57-V59 PolarHBondContact O-N 2.89Å |
| 58 | A | 83.1 | Confident | 86.7 | Confident | 32 Ų | 32 | 71.5 Ų | 71.5 | 26% | 0.264 | 35% | 0.348 | S | S | . | . | trans | -71.4 | 82.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | F31 S60 L61 | F31-A58 HydrophobicContact CD1-CB 3.87Å; F31-A58 HydrophobicContact CE1-CB 3.54Å; A58-S60 PolarHBondContact O-N 2.95Å; A58-L61 HydrophobicContact CB-CB 4.05Å; A58-L61 VanDerWaalsContact O-CB 3.28Å; A58-L61 WeakPolarHBondContact O-CB 3.4Å; A58-L61 PolarHBondContact O-N 2.98Å; A58-L61 VanDerWaalsContact O-N 3.16Å | ||
| 59 | V | 81.4 | Confident | 86.3 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 45% | 0.448 | 35% | 0.354 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.3 | -41.7 | 179.7 | -174 | 0 | 0 | 0 | 0 | 112 | R50 Q54 T57 L61 | R50-V59 PolarHBondContact NH1-O 3.34Å; Q54-V59 HydrophobicContact CG-CG2 3.9Å; T57-V59 VanDerWaalsContact C-N 3.34Å; T57-V59 PolarHBondContact O-N 2.89Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.65Å |
| 60 | S | 82.4 | Confident | 86 | Confident | 104 Ų | 104 | 80 Ų | 80 | 73% | 0.727 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.1 | 0 | -175.5 | 55.5 | 0 | 0 | 0 | 0 | 115.4 | A58 K62 | A58-S60 PolarHBondContact O-N 2.95Å; S60-K62 PolarHBondContact O-N 2.73Å |
| 61 | L | 86 | Confident | 85.8 | Confident | 33 Ų | 33 | 81.9 Ų | 81.9 | 17% | 0.173 | 40% | 0.398 | C | S | . | . | trans | -61.3 | 103.8 | -175.3 | -179.1 | 66.9 | 0 | 0 | 0 | 112.2 | F31 F33 R50 A58 V59 F72 | F31-L61 HydrophobicContact CB-CD2 4.31Å; F31-L61 HydrophobicContact CD1-CD2 4.29Å; F31-L61 HydrophobicContact CD2-CD2 4.06Å; F31-L61 HydrophobicContact CE2-CD2 4.43Å; F31-L61 HydrophobicContact CG-CD2 3.97Å; F33-L61 HydrophobicContact CB-CD2 4.45Å; R50-L61 VanDerWaalsContact CZ-O 3.24Å; R50-L61 PolarHBondContact NH1-O 3.01Å; R50-L61 PolarHBondContact NH2-O 2.75Å; A58-L61 HydrophobicContact CB-CB 4.05Å; A58-L61 VanDerWaalsContact O-CB 3.28Å; A58-L61 WeakPolarHBondContact O-CB 3.4Å; A58-L61 PolarHBondContact O-N 2.98Å; A58-L61 VanDerWaalsContact O-N 3.16Å; V59-L61 VanDerWaalsContact C-N 3.34Å; V59-L61 PolarHBondContact O-N 2.65Å; L61-F72 HydrophobicContact CD1-CE1 4.36Å; L61-F72 HydrophobicContact CD2-CE1 4.4Å | ||
| 62 | K | 85.3 | Confident | 85.8 | Confident | 193 Ų | 193 | 79 Ų | 79 | 84% | 0.839 | 39% | 0.386 | S | S | * | . | trans | -91.2 | 109.9 | 179.5 | -71.1 | 177.9 | -176.5 | 176.8 | 0 | 111.1 | S60 | S60-K62 PolarHBondContact O-N 2.73Š| ||
| 63 | V | 86.7 | Confident | 85.7 | Confident | 41 Ų | 41 | 81.4 Ų | 81.4 | 25% | 0.248 | 40% | 0.4 | C | S | . | . | trans | -89 | 129.3 | 176.6 | 175.4 | 0 | 0 | 0 | 0 | 111.1 | F33 F72 | F33-V63 HydrophobicContact CB-CG2 3.7Å; F33-V63 HydrophobicContact CD2-CG2 4.49Å; F33-V63 HydrophobicContact CG-CG2 4.4Å; V63-F72 HydrophobicContact CB-CZ 4.13Å; V63-F72 HydrophobicContact CG1-CE2 4.37Å; V63-F72 HydrophobicContact CG1-CZ 3.82Å; V63-F72 HydrophobicContact CG2-CE1 3.72Å; V63-F72 HydrophobicContact CG2-CZ 3.44Å; V63-F72 VanDerWaalsContact CG2-CZ 3.44Å | ||
| 64 | R | 85.3 | Confident | 85.6 | Confident | 198 Ų | 198 | 85 Ų | 85 | 75% | 0.747 | 43% | 0.426 | S | S | * | . | trans | -98.2 | 154.6 | 171.1 | -49.6 | -178.9 | 175.5 | -157.9 | -0.6 | 109.8 | K66 N67 | R64-K66 PolarHBondContact O-N 3.11Å; R64-K66 VanDerWaalsContact O-N 3.1Å; R64-N67 WeakPolarHBondContact CB-OD1 3.46Å; R64-N67 PolarHBondContact O-N 3.4Å; R64-N67 VanDerWaalsContact O-N 3.11Å; R64-N67 PolarHBondContact O-OD1 2.8Å | ||
| 65 | K | 81.5 | Confident | 85.7 | Confident | 167 Ų | 167 | 86 Ų | 86 | 73% | 0.726 | 44% | 0.435 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.4 | -23 | 178.4 | -66.1 | -171.8 | -176 | -178 | 0 | 114 | ||
| 66 | K | 85.8 | Confident | 85.8 | Confident | 195 Ų | 195 | 83.6 Ų | 83.6 | 85% | 0.848 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -16.8 | 179.1 | -67 | -166.6 | 176.4 | -169.4 | 0 | 114.2 | R64 L68 | R64-K66 PolarHBondContact O-N 3.11Å; R64-K66 VanDerWaalsContact O-N 3.1Å; K66-L68 PolarHBondContact O-N 2.79Å |
| 67 | N | 86.5 | Confident | 85.7 | Confident | 56 Ų | 56 | 83.1 Ų | 83.1 | 30% | 0.299 | 44% | 0.435 | S | S | . | . | trans | -69.2 | 131.1 | -174.6 | -66.8 | 41.8 | 0 | 0 | 0 | 111.4 | R64 D71 F72 | R64-N67 WeakPolarHBondContact CB-OD1 3.46Å; R64-N67 PolarHBondContact O-N 3.4Å; R64-N67 VanDerWaalsContact O-N 3.11Å; R64-N67 PolarHBondContact O-OD1 2.8Å; N67-D71 VanDerWaalsContact CA-OD2 3.3Å; N67-D71 WeakPolarHBondContact CA-OD2 3.36Å; N67-F72 HydrophobicContact CB-CE2 3.61Å; N67-F72 HydrophobicContact CB-CZ 3.8Å | ||
| 68 | L | 86.4 | Confident | 85.7 | Confident | 110 Ų | 110 | 87.8 Ų | 87.8 | 58% | 0.576 | 47% | 0.466 | S | S | * | . | trans | -90.9 | 164.2 | 173.2 | -55.4 | 178.5 | 0 | 0 | 0 | 110.9 | K66 K70 D71 F72 | K66-L68 PolarHBondContact O-N 2.79Å; L68-K70 PolarHBondContact O-N 2.86Å; L68-D71 PolarHBondContact N-OD2 3.14Å; L68-D71 WeakPolarHBondContact O-CB 3.45Å; L68-D71 PolarHBondContact O-N 3.01Å; L68-F72 VanDerWaalsContact O-CD2 3.25Å; L68-F72 WeakPolarHBondContact O-CD2 3.42Å | ||
| 69 | L | 84.6 | Confident | 85.8 | Confident | 29 Ų | 29 | 90.3 Ų | 90.3 | 15% | 0.152 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -63.3 | -31 | 176.1 | -176.3 | 57.5 | 0 | 0 | 0 | 112 | F33 D71 F72 V73 F84 I86 M106 | F33-L69 HydrophobicContact CZ-CD1 4.01Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 2.91Å; L69-F72 PolarHBondContact O-N 3.13Å; L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 2.98Å; L69-V73 VanDerWaalsContact O-N 3.13Å; L69-F84 HydrophobicContact CD1-CD2 3.97Å; L69-F84 HydrophobicContact CD1-CE2 3.98Å; L69-I86 HydrophobicContact CD1-CD1 3.72Å; L69-M106 HydrophobicContact CD2-CE 4.46Å |
| 70 | K | 85.7 | Confident | 85.9 | Confident | 164 Ų | 164 | 88.3 Ų | 88.3 | 71% | 0.713 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -60.2 | -41.6 | 177.1 | -63.8 | -172.3 | 176 | -173.8 | 0 | 111.7 | L68 F72 V73 S74 | L68-K70 PolarHBondContact O-N 2.86Å; K70-F72 VanDerWaalsContact C-N 3.3Å; K70-F72 PolarHBondContact O-N 3.47Å; K70-V73 PolarHBondContact O-N 3.2Å; K70-V73 VanDerWaalsContact O-N 3.11Å; K70-S74 PolarHBondContact O-N 3Å; K70-S74 PolarHBondContact O-OG 2.81Å |
| 71 | D | 88.6 | Confident | 86.2 | Confident | 61 Ų | 61 | 83.8 Ų | 83.8 | 33% | 0.326 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -61.5 | -38.1 | 178.3 | -37.4 | -7.9 | 0 | 0 | 0 | 111.7 | N67 L68 L69 S74 V75 | N67-D71 VanDerWaalsContact CA-OD2 3.3Å; N67-D71 WeakPolarHBondContact CA-OD2 3.36Å; L68-D71 PolarHBondContact N-OD2 3.14Å; L68-D71 WeakPolarHBondContact O-CB 3.45Å; L68-D71 PolarHBondContact O-N 3.01Å; L69-D71 VanDerWaalsContact C-N 3.33Å; L69-D71 PolarHBondContact O-N 2.91Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.05Å; D71-V75 WeakPolarHBondContact O-CB 3.48Å; D71-V75 VanDerWaalsContact O-CG2 3.3Å; D71-V75 WeakPolarHBondContact O-CG2 3.13Å; D71-V75 PolarHBondContact O-N 3.06Å |
| 72 | F | 87.8 | Confident | 86.4 | Confident | 13 Ų | 13 | 83.9 Ų | 83.9 | 6% | 0.057 | 44% | 0.439 | C | S | . | . | H | α-helix | trans | -70.4 | -37.9 | 175.1 | -67.5 | -72.3 | 0 | 0 | 0 | 111.6 | F33 L61 V63 N67 L68 L69 K70 V75 A76 F84 | F33-F72 HydrophobicContact CD2-CD2 4.34Å; F33-F72 HydrophobicContact CD2-CE2 4.16Å; F33-F72 HydrophobicContact CD2-CZ 4.33Å; F33-F72 HydrophobicContact CE1-CB 4.44Å; F33-F72 HydrophobicContact CE1-CD1 4.48Å; F33-F72 HydrophobicContact CE1-CG 4.28Å; F33-F72 AromaticContact CE2-CD2 3.71Å; F33-F72 HydrophobicContact CE2-CD2 3.71Å; F33-F72 AromaticContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CE2 3.93Å; F33-F72 HydrophobicContact CE2-CG 4.09Å; F33-F72 HydrophobicContact CE2-CZ 4.49Å; F33-F72 HydrophobicContact CZ-CB 4.09Å; F33-F72 HydrophobicContact CZ-CD1 4.44Å; F33-F72 AromaticContact CZ-CD2 3.91Å; F33-F72 HydrophobicContact CZ-CD2 3.91Å; F33-F72 AromaticContact CZ-CG 3.87Å; F33-F72 HydrophobicContact CZ-CG 3.87Å; L61-F72 HydrophobicContact CD1-CE1 4.36Å; L61-F72 HydrophobicContact CD2-CE1 4.4Å; V63-F72 HydrophobicContact CB-CZ 4.13Å; V63-F72 HydrophobicContact CG1-CE2 4.37Å; V63-F72 HydrophobicContact CG1-CZ 3.82Å; V63-F72 HydrophobicContact CG2-CE1 3.72Å; V63-F72 HydrophobicContact CG2-CZ 3.44Å; V63-F72 VanDerWaalsContact CG2-CZ 3.44Å; N67-F72 HydrophobicContact CB-CE2 3.61Å; N67-F72 HydrophobicContact CB-CZ 3.8Å; L68-F72 VanDerWaalsContact O-CD2 3.25Å; L68-F72 WeakPolarHBondContact O-CD2 3.42Å; L69-F72 PolarHBondContact O-N 3.13Å; K70-F72 VanDerWaalsContact C-N 3.3Å; K70-F72 PolarHBondContact O-N 3.47Å; F72-V75 PolarHBondContact O-N 2.8Å; F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 3.41Å; F72-F84 HydrophobicContact CB-CE2 3.74Å; F72-F84 HydrophobicContact CB-CZ 3.79Å; F72-F84 WeakPolarHBondContact O-CZ 3.31Å |
| 73 | V | 88.1 | Confident | 86.7 | Confident | 50 Ų | 50 | 74.7 Ų | 74.7 | 30% | 0.303 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 111.7 | L69 K70 V75 A76 G77 F84 L101 M289 | L69-V73 WeakPolarHBondContact O-CG2 3.3Å; L69-V73 PolarHBondContact O-N 2.98Å; L69-V73 VanDerWaalsContact O-N 3.13Å; K70-V73 PolarHBondContact O-N 3.2Å; K70-V73 VanDerWaalsContact O-N 3.11Å; V73-V75 VanDerWaalsContact C-N 3.35Å; V73-V75 PolarHBondContact O-N 3.16Å; V73-A76 PolarHBondContact O-N 3.25Å; V73-G77 PolarHBondContact O-N 3.05Å; V73-F84 HydrophobicContact CG2-CE2 3.96Å; V73-F84 HydrophobicContact CG2-CZ 4.39Å; V73-L101 HydrophobicContact CG1-CD2 4.47Å; V73-L101 HydrophobicContact CG2-CD2 4.28Å; V73-M289 HydrophobicContact CG2-CE 3.91Å |
| 74 | S | 87.6 | Confident | 86.9 | Confident | 85 Ų | 85 | 72.8 Ų | 72.8 | 59% | 0.594 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -67.5 | -34 | 177.1 | 62.3 | 0 | 0 | 0 | 0 | 112.8 | K70 D71 P78 | K70-S74 PolarHBondContact O-N 3Å; K70-S74 PolarHBondContact O-OG 2.81Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.05Å; S74-P78 WeakPolarHBondContact O-CD 3.46Å |
| 75 | V | 87.8 | Confident | 87.3 | Confident | 67 Ų | 67 | 63.4 Ų | 63.4 | 41% | 0.406 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.9 | -30.1 | 173 | 171.2 | 0 | 0 | 0 | 0 | 112.5 | F31 D71 F72 V73 P78 L79 | F31-V75 HydrophobicContact CE2-CG1 4.11Å; F31-V75 HydrophobicContact CZ-CG1 4.23Å; D71-V75 WeakPolarHBondContact O-CB 3.48Å; D71-V75 VanDerWaalsContact O-CG2 3.3Å; D71-V75 WeakPolarHBondContact O-CG2 3.13Å; D71-V75 PolarHBondContact O-N 3.06Å; F72-V75 PolarHBondContact O-N 2.8Å; V73-V75 VanDerWaalsContact C-N 3.35Å; V73-V75 PolarHBondContact O-N 3.16Å; V75-P78 WeakPolarHBondContact O-CD 3.32Å; V75-L79 HydrophobicContact CG1-CD1 3.8Å |
| 76 | A | 88.1 | Confident | 87.8 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -68.4 | -37.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | F72 V73 L79 G80 V81 F84 L101 | F72-A76 WeakPolarHBondContact O-CB 3.33Å; F72-A76 PolarHBondContact O-N 3.41Å; V73-A76 PolarHBondContact O-N 3.25Å; A76-L79 CarbonylContact O-C 3.53Å; A76-L79 PolarHBondContact O-N 3.49Å; A76-G80 PolarHBondContact O-N 3.39Å; A76-V81 HydrophobicContact CB-CB 3.85Å; A76-V81 HydrophobicContact CB-CG1 4.5Å; A76-V81 PolarHBondContact O-N 3.18Å; A76-F84 HydrophobicContact CB-CE1 3.75Å; A76-F84 HydrophobicContact CB-CZ 3.73Å; A76-L101 HydrophobicContact CB-CD2 3.5Å |
| 77 | G | 85.2 | Confident | 88.2 | Confident | 59 Ų | 59 | 46.4 Ų | 46.4 | 61% | 0.608 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -63 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | V73 L79 G80 | V73-G77 PolarHBondContact O-N 3.05Å; G77-L79 PolarHBondContact O-N 3.44Å; G77-G80 PolarHBondContact O-N 3.49Å |
| 78 | P | 85.5 | Confident | 88.4 | Confident | 112 Ų | 112 | 44.2 Ų | 44.2 | 73% | 0.727 | 27% | 0.269 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.9 | -14.7 | -179.4 | 28.1 | -35.9 | 0 | 0 | 0 | 114 | S74 V75 | S74-P78 WeakPolarHBondContact O-CD 3.46Å; V75-P78 WeakPolarHBondContact O-CD 3.32Å |
| 79 | L | 84.8 | Confident | 88.6 | Confident | 85 Ų | 85 | 44.4 Ų | 44.4 | 45% | 0.445 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.2 | 3.3 | 177.6 | -67.1 | 175.7 | 0 | 0 | 0 | 113.6 | F31 V75 A76 G77 V81 | F31-L79 HydrophobicContact CZ-CD1 3.85Å; V75-L79 HydrophobicContact CG1-CD1 3.8Å; A76-L79 CarbonylContact O-C 3.53Å; A76-L79 PolarHBondContact O-N 3.49Å; G77-L79 PolarHBondContact O-N 3.44Å; L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 HydrophobicContact CB-CG2 3.92Å; L79-V81 PolarHBondContact O-N 3.11Å |
| 80 | G | 84.4 | Confident | 88.7 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 32% | 0.32 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 65.3 | 23.4 | 178 | 0 | 0 | 0 | 0 | 0 | 114.6 | A76 G77 T82 | A76-G80 PolarHBondContact O-N 3.39Å; G77-G80 PolarHBondContact O-N 3.49Å; G80-T82 PolarHBondContact O-N 2.92Å |
| 81 | V | 89.5 | Confident | 88.6 | Confident | 10 Ų | 10 | 42.9 Ų | 42.9 | 6% | 0.061 | 27% | 0.273 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 120.3 | -173 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | H29 F31 A76 L79 F84 | H29-V81 HydrophobicContact CB-CG2 4.34Å; F31-V81 HydrophobicContact CB-CG1 4.04Å; F31-V81 HydrophobicContact CD1-CG1 3.94Å; F31-V81 HydrophobicContact CD1-CG2 3.81Å; F31-V81 HydrophobicContact CD2-CG1 4.19Å; F31-V81 HydrophobicContact CD2-CG2 4.44Å; F31-V81 HydrophobicContact CE1-CG1 4.49Å; F31-V81 HydrophobicContact CE1-CG2 3.53Å; F31-V81 HydrophobicContact CE2-CG2 4.2Å; F31-V81 HydrophobicContact CG-CG1 3.78Å; F31-V81 HydrophobicContact CG-CG2 4.28Å; F31-V81 HydrophobicContact CZ-CG2 3.76Å; A76-V81 HydrophobicContact CB-CB 3.85Å; A76-V81 HydrophobicContact CB-CG1 4.5Å; A76-V81 PolarHBondContact O-N 3.18Å; L79-V81 VanDerWaalsContact C-N 3.26Å; L79-V81 HydrophobicContact CB-CG2 3.92Å; L79-V81 PolarHBondContact O-N 3.11Å; V81-F84 HydrophobicContact CG1-CD1 4.1Å; V81-F84 HydrophobicContact CG1-CE1 3.88Å |
| 82 | T | 89.1 | Confident | 88.2 | Confident | 35 Ų | 35 | 46.9 Ų | 46.9 | 22% | 0.215 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | -28.4 | -172.3 | 57.1 | 0 | 0 | 0 | 0 | 113.5 | P28 H29 G80 R100 L101 | P28-T82 WeakPolarHBondContact CA-OG1 3.27Å; P28-T82 WeakPolarHBondContact CB-OG1 3.5Å; H29-T82 PolarHBondContact N-OG1 2.81Å; H29-T82 PolarHBondContact O-N 3.03Å; H29-T82 PolarHBondContact O-OG1 3Å; G80-T82 PolarHBondContact O-N 2.92Å; T82-R100 CarbonylContact O-C 3.55Å; T82-R100 WeakPolarHBondContact O-CA 3.5Å; T82-L101 PolarHBondContact O-N 3.13Å |
| 83 | H | 90.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 48.1 Ų | 48.1 | 0% | 0 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 138.1 | -176.4 | -58.4 | 89.9 | 0 | 0 | 0 | 113 | H29 S30 F31 L98 A99 R100 N161 M162 | H29-H83 PolarHBondContact O-N 3.07Å; H29-H83 VanDerWaalsContact O-N 3.16Å; S30-H83 CarbonylContact C-O 3.57Å; S30-H83 WeakPolarHBondContact CA-O 3.32Å; F31-H83 PolarHBondContact N-O 2.89Å; H83-L98 HydrophobicContact CB-CD1 4.41Å; H83-A99 CarbonylContact C-O 3.6Å; H83-A99 WeakPolarHBondContact CA-O 3.49Å; H83-R100 PolarHBondContact CE1-NH1 2.93Å; H83-R100 PolarHBondContact NE2-NH1 3.23Å; H83-N161 PolarHBondContact CE1-O 2.85Å; H83-M162 HydrophobicContact CB-CG 4.22Å |
| 84 | F | 92.5 | Very high | 88.4 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 29% | 0.294 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.4 | 170.9 | -74.5 | 2.3 | 0 | 0 | 0 | 110.6 | F31 F33 L69 F72 V73 A76 V81 I86 L98 A99 L101 M289 | F31-F84 HydrophobicContact CB-CD1 3.75Å; F31-F84 HydrophobicContact CB-CE1 3.96Å; F31-F84 HydrophobicContact CD2-CD1 4.37Å; F31-F84 AromaticContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CE1 3.71Å; F31-F84 HydrophobicContact CD2-CZ 4.31Å; F31-F84 HydrophobicContact CG-CD1 4.46Å; F31-F84 HydrophobicContact CG-CE1 4.18Å; F31-F84 CarbonylContact O-C 3.58Å; F31-F84 WeakPolarHBondContact O-CA 3.42Å; F33-F84 HydrophobicContact CE1-CB 4.12Å; F33-F84 HydrophobicContact CE1-CD1 4.25Å; F33-F84 AromaticContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CD2 3.75Å; F33-F84 HydrophobicContact CE1-CE2 4.2Å; F33-F84 AromaticContact CE1-CG 3.78Å; F33-F84 HydrophobicContact CE1-CG 3.78Å; F33-F84 AromaticContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CD2 3.82Å; F33-F84 HydrophobicContact CZ-CE2 4.18Å; F33-F84 HydrophobicContact CZ-CG 4.3Å; L69-F84 HydrophobicContact CD1-CD2 3.97Å; L69-F84 HydrophobicContact CD1-CE2 3.98Å; F72-F84 HydrophobicContact CB-CE2 3.74Å; F72-F84 HydrophobicContact CB-CZ 3.79Å; F72-F84 WeakPolarHBondContact O-CZ 3.31Å; V73-F84 HydrophobicContact CG2-CE2 3.96Å; V73-F84 HydrophobicContact CG2-CZ 4.39Å; A76-F84 HydrophobicContact CB-CE1 3.75Å; A76-F84 HydrophobicContact CB-CZ 3.73Å; V81-F84 HydrophobicContact CG1-CD1 4.1Å; V81-F84 HydrophobicContact CG1-CE1 3.88Å; F84-I86 HydrophobicContact CB-CD1 4.27Å; F84-I86 HydrophobicContact CB-CG1 4.01Å; F84-I86 HydrophobicContact CD2-CD1 4.27Å; F84-L98 WeakPolarHBondContact O-CA 3.26Å; F84-A99 HydrophobicContact CB-CB 4.46Å; F84-A99 PolarHBondContact N-O 2.84Å; F84-A99 PolarHBondContact O-N 2.84Å; F84-L101 HydrophobicContact CB-CD1 4.22Å; F84-L101 HydrophobicContact CD1-CD1 3.53Å; F84-L101 HydrophobicContact CD1-CD2 4.34Å; F84-L101 HydrophobicContact CD2-CD1 3.86Å; F84-L101 HydrophobicContact CE1-CD1 3.75Å; F84-L101 HydrophobicContact CE1-CD2 3.68Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CE2-CD1 4.07Å; F84-L101 HydrophobicContact CE2-CD2 4.04Å; F84-L101 HydrophobicContact CG-CD1 3.59Å; F84-L101 HydrophobicContact CZ-CD1 4Å; F84-L101 HydrophobicContact CZ-CD2 3.49Å; F84-L101 VanDerWaalsContact CZ-CD2 3.49Å; F84-L101 HydrophobicContact CZ-CG 4.39Å; F84-M289 HydrophobicContact CD2-CE 3.7Å; F84-M289 HydrophobicContact CE2-CE 3.92Å |
| 85 | V | 92.9 | Very high | 88.6 | Confident | 2 Ų | 2 | 44.5 Ų | 44.5 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 106.9 | 167.1 | -174.2 | 0 | 0 | 0 | 0 | 107.9 | F31 V32 F33 F87 M96 R97 L98 M162 | F31-V85 PolarHBondContact O-N 3.14Å; V32-V85 WeakPolarHBondContact CA-O 3.33Å; V32-V85 HydrophobicContact CB-CB 4.43Å; V32-V85 HydrophobicContact CG1-CB 4.23Å; V32-V85 HydrophobicContact CG1-CG1 4.41Å; V32-V85 HydrophobicContact CG2-CB 4.13Å; V32-V85 HydrophobicContact CG2-CG2 4.29Å; F33-V85 PolarHBondContact N-O 2.88Å; V85-F87 HydrophobicContact CG1-CD2 4.28Å; V85-F87 HydrophobicContact CG1-CE2 3.63Å; V85-F87 HydrophobicContact CG1-CZ 4.12Å; V85-M96 HydrophobicContact CG1-CG 3.94Å; V85-M96 HydrophobicContact CG1-SD 3.97Å; V85-R97 CarbonylContact C-O 3.58Å; V85-R97 WeakPolarHBondContact CA-O 3.39Å; V85-L98 HydrophobicContact CG2-CD1 4.11Å; V85-M162 HydrophobicContact CG2-SD 4.19Å |
| 86 | I | 92.6 | Very high | 88.9 | Confident | 4 Ų | 4 | 41.8 Ų | 41.8 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 110.3 | -172.6 | -44 | -179.7 | 0 | 0 | 0 | 110 | F33 R35 L69 F84 M96 R97 | F33-I86 HydrophobicContact CD2-CG2 4.2Å; F33-I86 HydrophobicContact CE1-CD1 4.41Å; F33-I86 HydrophobicContact CE1-CG1 3.98Å; F33-I86 HydrophobicContact CE2-CD1 4.12Å; F33-I86 HydrophobicContact CE2-CG1 4.02Å; F33-I86 HydrophobicContact CE2-CG2 3.91Å; F33-I86 HydrophobicContact CZ-CD1 3.7Å; F33-I86 HydrophobicContact CZ-CG1 3.66Å; F33-I86 HydrophobicContact CZ-CG2 4.43Å; F33-I86 WeakPolarHBondContact O-CA 3.3Å; R35-I86 HydrophobicContact CB-CG2 3.77Å; L69-I86 HydrophobicContact CD1-CD1 3.72Å; F84-I86 HydrophobicContact CB-CD1 4.27Å; F84-I86 HydrophobicContact CB-CG1 4.01Å; F84-I86 HydrophobicContact CD2-CD1 4.27Å; I86-M96 CarbonylContact O-C 3.56Å; I86-R97 HydrophobicContact CB-CB 4.27Å; I86-R97 PolarHBondContact N-O 3.29Å; I86-R97 PolarHBondContact O-N 3.33Å |
| 87 | F | 93.5 | Very high | 89.1 | Confident | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 133.2 | 171.3 | -68 | -89.2 | 0 | 0 | 0 | 110.7 | V32 F33 Q34 R35 V42 L45 V46 M49 V85 N95 M96 M278 | V32-F87 HydrophobicContact CG1-CD2 4.4Å; V32-F87 HydrophobicContact CG1-CE2 3.97Å; F33-F87 PolarHBondContact O-N 3.46Å; Q34-F87 CarbonylContact C-O 3.47Å; Q34-F87 WeakPolarHBondContact CA-O 3.39Å; R35-F87 PolarHBondContact N-O 3.34Å; V42-F87 HydrophobicContact CG1-CB 4.1Å; L45-F87 HydrophobicContact CD2-CD1 4.27Å; L45-F87 HydrophobicContact CD2-CE1 3.9Å; L45-F87 HydrophobicContact CG-CE1 4.27Å; V46-F87 HydrophobicContact CG2-CB 3.89Å; V46-F87 HydrophobicContact CG2-CD2 3.6Å; V46-F87 HydrophobicContact CG2-CE2 4.38Å; V46-F87 HydrophobicContact CG2-CG 3.91Å; M49-F87 HydrophobicContact CB-CE2 4.17Å; M49-F87 HydrophobicContact CB-CZ 4.3Å; M49-F87 HydrophobicContact CG-CE2 4.11Å; M49-F87 HydrophobicContact CG-CZ 4.22Å; V85-F87 HydrophobicContact CG1-CD2 4.28Å; V85-F87 HydrophobicContact CG1-CE2 3.63Å; V85-F87 HydrophobicContact CG1-CZ 4.12Å; F87-N95 CarbonylContact C-O 3.54Å; F87-N95 WeakPolarHBondContact CA-O 3.16Å; F87-M96 HydrophobicContact CD1-CB 4.23Å; F87-M96 HydrophobicContact CD1-CG 4.22Å; F87-M96 HydrophobicContact CE1-CB 4.09Å; F87-M96 HydrophobicContact CE1-CG 3.84Å; F87-M96 HydrophobicContact CE1-SD 3.99Å; F87-M96 HydrophobicContact CZ-CG 4Å; F87-M96 HydrophobicContact CZ-SD 3.85Å; F87-M278 HydrophobicContact CE1-CE 3.88Å; F87-M278 HydrophobicContact CE1-SD 4.43Å |
| 88 | G | 90.8 | Very high | 89.5 | Confident | 11 Ų | 11 | 42.1 Ų | 42.1 | 11% | 0.113 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 150.4 | 172 | 0 | 0 | 0 | 0 | 0 | 110.9 | N95 | G88-N95 PolarHBondContact N-O 3.41Å; G88-N95 PolarHBondContact O-N 3.4Å |
| 89 | K | 90.1 | Very high | 89.8 | Confident | 113 Ų | 113 | 36.8 Ų | 36.8 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 124.7 | 169.5 | 179.9 | 171.3 | -177 | -170.3 | 0 | 109.5 | V38 P91 | V38-K89 HydrophobicContact CG1-CB 4.11Å; K89-P91 WeakPolarHBondContact CE-O 3.19Å; K89-P91 PolarHBondContact NZ-O 3.44Å |
| 90 | T | 87.4 | Confident | 90 | Very high | 58 Ų | 58 | 36.8 Ų | 36.8 | 36% | 0.356 | 20% | 0.2 | S | C | . | . | trans | -92.3 | 166 | 156.6 | 21.9 | 0 | 0 | 0 | 0 | 108.5 | D92 T93 N95 | T90-D92 PolarHBondContact O-N 3.12Å; T90-D92 VanDerWaalsContact O-N 3.15Å; T90-T93 PolarHBondContact N-O 3.05Å; T90-T93 PolarHBondContact O-N 3.04Å; T90-T93 VanDerWaalsContact O-O 3.05Å; T90-T93 PolarHBondContact OG1-O 2.92Å; T90-T93 VanDerWaalsContact OG1-O 3.08Å; T90-T93 PolarHBondContact OG1-OG1 3.32Å; T90-N95 PolarHBondContact OG1-ND2 3.45Å | ||
| 91 | P | 82.6 | Confident | 90.1 | Very high | 103 Ų | 103 | 36.2 Ų | 36.2 | 67% | 0.669 | 19% | 0.19 | S | C | * | . | S | Bend | trans | -48.5 | -48.7 | -174.3 | -28.8 | 36.5 | 0 | 0 | 0 | 113.1 | K89 | K89-P91 WeakPolarHBondContact CE-O 3.19Å; K89-P91 PolarHBondContact NZ-O 3.44Å |
| 92 | D | 80.6 | Confident | 89.4 | Confident | 146 Ų | 146 | 40.9 Ų | 40.9 | 78% | 0.781 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -98.7 | -16.3 | -168.2 | -25.2 | -77.8 | 0 | 0 | 0 | 113.3 | T90 | T90-D92 PolarHBondContact O-N 3.12Å; T90-D92 VanDerWaalsContact O-N 3.15Å |
| 93 | T | 87.6 | Confident | 88.5 | Confident | 39 Ų | 39 | 48 Ų | 48 | 24% | 0.239 | 25% | 0.249 | C | C | . | . | trans | -144.4 | 150.8 | -166.4 | 46.7 | 0 | 0 | 0 | 0 | 113.3 | T90 K110 | T90-T93 PolarHBondContact N-O 3.05Å; T90-T93 PolarHBondContact O-N 3.04Å; T90-T93 VanDerWaalsContact O-O 3.05Å; T90-T93 PolarHBondContact OG1-O 2.92Å; T90-T93 VanDerWaalsContact OG1-O 3.08Å; T90-T93 PolarHBondContact OG1-OG1 3.32Å; T93-K110 HydrophobicContact CG2-CG 4.42Å | ||
| 94 | I | 91.9 | Very high | 87.9 | Confident | 21 Ų | 21 | 48.8 Ų | 48.8 | 11% | 0.108 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 131.5 | 166.7 | -63.2 | 163.4 | 0 | 0 | 0 | 107.5 | V42 V111 Y114 | V42-I94 HydrophobicContact CG2-CD1 3.78Å; V42-I94 HydrophobicContact CG2-CG1 4.16Å; I94-V111 HydrophobicContact CB-CB 4.13Å; I94-V111 HydrophobicContact CB-CG2 4.39Å; I94-V111 HydrophobicContact CG2-CB 4.13Å; I94-V111 HydrophobicContact CG2-CG2 3.88Å; I94-V111 WeakPolarHBondContact O-CB 3.22Å; I94-V111 PolarHBondContact O-N 3.25Å; I94-Y114 HydrophobicContact CD1-CD1 4.03Å; I94-Y114 HydrophobicContact CD1-CE1 3.48Å; I94-Y114 VanDerWaalsContact CD1-CE1 3.48Å |
| 95 | N | 92.9 | Very high | 87.8 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 20% | 0.198 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 135 | 177.6 | -60.9 | -69.1 | 0 | 0 | 0 | 109.9 | F87 G88 T90 F109 | F87-N95 CarbonylContact C-O 3.54Å; F87-N95 WeakPolarHBondContact CA-O 3.16Å; G88-N95 PolarHBondContact N-O 3.41Å; G88-N95 PolarHBondContact O-N 3.4Å; T90-N95 PolarHBondContact OG1-ND2 3.45Å; N95-F109 CarbonylContact C-O 3.53Å; N95-F109 VanDerWaalsContact CA-O 3.32Å; N95-F109 WeakPolarHBondContact CA-O 3.39Å |
| 96 | M | 93.6 | Very high | 87.7 | Confident | 11 Ų | 11 | 50.2 Ų | 50.2 | 5% | 0.054 | 27% | 0.266 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 130.3 | 168.9 | -173.5 | -173.5 | 76.3 | 0 | 0 | 108.5 | V85 I86 F87 F109 V111 M278 L280 | V85-M96 HydrophobicContact CG1-CG 3.94Å; V85-M96 HydrophobicContact CG1-SD 3.97Å; I86-M96 CarbonylContact O-C 3.56Å; F87-M96 HydrophobicContact CD1-CB 4.23Å; F87-M96 HydrophobicContact CD1-CG 4.22Å; F87-M96 HydrophobicContact CE1-CB 4.09Å; F87-M96 HydrophobicContact CE1-CG 3.84Å; F87-M96 HydrophobicContact CE1-SD 3.99Å; F87-M96 HydrophobicContact CZ-CG 4Å; F87-M96 HydrophobicContact CZ-SD 3.85Å; M96-F109 HydrophobicContact CB-CB 4.42Å; M96-F109 HydrophobicContact CE-CB 4.43Å; M96-F109 HydrophobicContact CE-CD2 3.62Å; M96-F109 HydrophobicContact CE-CE2 4.18Å; M96-F109 HydrophobicContact CE-CG 4.22Å; M96-F109 PolarHBondContact N-O 2.8Å; M96-F109 WeakPolarHBondContact O-CA 3.22Å; M96-F109 WeakPolarHBondContact O-CB 3.48Å; M96-F109 PolarHBondContact O-N 3.39Å; M96-V111 HydrophobicContact CB-CG2 4.08Å; M96-M278 HydrophobicContact SD-CE 4.5Å; M96-L280 HydrophobicContact CB-CD2 4.49Å; M96-L280 HydrophobicContact CE-CD1 3.52Å; M96-L280 HydrophobicContact CE-CD2 3.99Å; M96-L280 HydrophobicContact CE-CG 4.41Å; M96-L280 HydrophobicContact SD-CD2 4.37Å |
| 97 | R | 93.1 | Very high | 87.6 | Confident | 65 Ų | 65 | 50 Ų | 50 | 25% | 0.245 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 127.1 | 174.7 | -46.5 | -178.4 | -168.1 | -166.6 | -0.3 | 109.2 | V85 I86 M106 L107 Y108 | V85-R97 CarbonylContact C-O 3.58Å; V85-R97 WeakPolarHBondContact CA-O 3.39Å; I86-R97 HydrophobicContact CB-CB 4.27Å; I86-R97 PolarHBondContact N-O 3.29Å; I86-R97 PolarHBondContact O-N 3.33Å; R97-M106 HydrophobicContact CB-CG 4.17Å; R97-M106 HydrophobicContact CB-SD 4.12Å; R97-L107 CarbonylContact C-O 3.56Å; R97-L107 VanDerWaalsContact CA-O 3.24Å; R97-L107 WeakPolarHBondContact CA-O 3.48Å; R97-Y108 HydrophobicContact CG-CD1 4.01Å; R97-Y108 HydrophobicContact CG-CE1 4.27Å; R97-Y108 HydrophobicContact CG-CG 4.5Å |
| 98 | L | 92.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 51.4 Ų | 51.4 | 1% | 0.01 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 120.6 | 171 | 175.7 | 58.6 | 0 | 0 | 0 | 107.8 | H83 F84 V85 M106 L107 F109 M158 F159 M162 | H83-L98 HydrophobicContact CB-CD1 4.41Å; F84-L98 WeakPolarHBondContact O-CA 3.26Å; V85-L98 HydrophobicContact CG2-CD1 4.11Å; L98-M106 CarbonylContact O-C 3.6Å; L98-M106 WeakPolarHBondContact O-CA 3.37Å; L98-L107 HydrophobicContact CB-CB 4.43Å; L98-L107 HydrophobicContact CD2-CD1 4.38Å; L98-L107 PolarHBondContact N-O 2.94Å; L98-L107 PolarHBondContact O-N 3.42Å; L98-F109 HydrophobicContact CB-CE2 4.26Å; L98-M158 HydrophobicContact CD2-CB 4.18Å; L98-M158 HydrophobicContact CG-SD 4.4Å; L98-F159 HydrophobicContact CD2-CD1 3.78Å; L98-F159 HydrophobicContact CD2-CE1 3.69Å; L98-M162 HydrophobicContact CD1-SD 3.73Å; L98-M162 HydrophobicContact CD2-SD 4.29Å |
| 99 | A | 92.4 | Very high | 87.7 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 141.5 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | H83 F84 P105 M106 M289 | H83-A99 CarbonylContact C-O 3.6Å; H83-A99 WeakPolarHBondContact CA-O 3.49Å; F84-A99 HydrophobicContact CB-CB 4.46Å; F84-A99 PolarHBondContact N-O 2.84Å; F84-A99 PolarHBondContact O-N 2.84Å; A99-P105 WeakPolarHBondContact CA-O 3.3Å; A99-M106 HydrophobicContact CB-CB 4.02Å; A99-M106 HydrophobicContact CB-CE 3.88Å; A99-M106 HydrophobicContact CB-CG 3.93Å; A99-M289 HydrophobicContact CB-CE 4.17Å; A99-M289 HydrophobicContact CB-SD 3.85Å |
| 100 | R | 89.4 | Confident | 87.9 | Confident | 84 Ų | 84 | 49.1 Ų | 49.1 | 32% | 0.317 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 128.6 | 175.7 | -179.6 | 176.4 | 176.7 | 94 | -14.6 | 111 | T82 H83 G104 P105 N161 | T82-R100 CarbonylContact O-C 3.55Å; T82-R100 WeakPolarHBondContact O-CA 3.5Å; H83-R100 PolarHBondContact CE1-NH1 2.93Å; H83-R100 PolarHBondContact NE2-NH1 3.23Å; R100-G104 CarbonylContact O-C 3.59Å; R100-G104 WeakPolarHBondContact O-CA 3.17Å; R100-G104 PolarHBondContact O-N 3.28Å; R100-P105 PolarHBondContact N-O 3.01Å; R100-P105 VanDerWaalsContact N-O 3.14Å; R100-N161 PolarHBondContact NH1-OD1 3.33Å; R100-N161 PolarHBondContact NH2-OD1 2.97Å |
| 101 | L | 85.6 | Confident | 88.2 | Confident | 19 Ų | 19 | 46.9 Ų | 46.9 | 10% | 0.099 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.4 | 157.3 | 179.2 | -79.4 | 80.1 | 0 | 0 | 0 | 111.4 | V73 A76 T82 F84 M289 | V73-L101 HydrophobicContact CG1-CD2 4.47Å; V73-L101 HydrophobicContact CG2-CD2 4.28Å; A76-L101 HydrophobicContact CB-CD2 3.5Å; T82-L101 PolarHBondContact O-N 3.13Å; F84-L101 HydrophobicContact CB-CD1 4.22Å; F84-L101 HydrophobicContact CD1-CD1 3.53Å; F84-L101 HydrophobicContact CD1-CD2 4.34Å; F84-L101 HydrophobicContact CD2-CD1 3.86Å; F84-L101 HydrophobicContact CE1-CD1 3.75Å; F84-L101 HydrophobicContact CE1-CD2 3.68Å; F84-L101 HydrophobicContact CE1-CG 4.4Å; F84-L101 HydrophobicContact CE2-CD1 4.07Å; F84-L101 HydrophobicContact CE2-CD2 4.04Å; F84-L101 HydrophobicContact CG-CD1 3.59Å; F84-L101 HydrophobicContact CZ-CD1 4Å; F84-L101 HydrophobicContact CZ-CD2 3.49Å; F84-L101 VanDerWaalsContact CZ-CD2 3.49Å; F84-L101 HydrophobicContact CZ-CG 4.39Å; L101-M289 HydrophobicContact CD1-CE 3.65Å; L101-M289 HydrophobicContact CD1-SD 3.95Å; L101-M289 HydrophobicContact CD2-CE 4.48Å; L101-M289 HydrophobicContact CG-CE 3.9Å; L101-M289 HydrophobicContact CG-SD 4.02Å |
| 102 | P | 75 | Confident | 88.7 | Confident | 109 Ų | 109 | 44.8 Ų | 44.8 | 71% | 0.708 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | cis | -85.1 | -24.6 | -2.6 | 32.7 | -34.8 | 0 | 0 | 0 | 114.4 | ||
| 103 | K | 69.4 | Low | 89.3 | Confident | 184 Ų | 184 | 44 Ų | 44 | 80% | 0.8 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124.6 | 6 | -176.3 | -68.2 | -172.4 | 177.1 | -177.1 | 0 | 114.1 | ||
| 104 | G | 78.6 | Confident | 89.6 | Confident | 17 Ų | 17 | 45.8 Ų | 45.8 | 18% | 0.175 | 22% | 0.219 | C | C | . | . | trans | -69.3 | 169.2 | -175.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | R100 G288 | R100-G104 CarbonylContact O-C 3.59Å; R100-G104 WeakPolarHBondContact O-CA 3.17Å; R100-G104 PolarHBondContact O-N 3.28Å; G104-G288 CarbonylContact O-C 3.45Å; G104-G288 VanDerWaalsContact O-C 3.31Å; G104-G288 WeakPolarHBondContact O-CA 3.28Å; G104-G288 PolarHBondContact O-N 3.08Å | ||
| 105 | P | 89.9 | Confident | 89.6 | Confident | 30 Ų | 30 | 46.7 Ų | 46.7 | 20% | 0.195 | 23% | 0.228 | C | C | . | . | trans | -71.2 | 164.6 | -175.7 | -5.3 | 20.1 | 0 | 0 | 0 | 112.5 | A99 R100 M158 I285 Q286 | A99-P105 WeakPolarHBondContact CA-O 3.3Å; R100-P105 PolarHBondContact N-O 3.01Å; R100-P105 VanDerWaalsContact N-O 3.14Å; P105-M158 HydrophobicContact CB-CE 3.52Å; P105-M158 HydrophobicContact CG-CE 3.71Å; P105-M158 WeakPolarHBondContact O-CE 3.47Å; P105-I285 HydrophobicContact CB-CG2 4.5Å; P105-Q286 CarbonylContact C-O 3.44Å; P105-Q286 VanDerWaalsContact CA-O 3.23Å; P105-Q286 WeakPolarHBondContact CA-O 3.39Å; P105-Q286 WeakPolarHBondContact CB-O 3.25Å | ||
| 106 | M | 90.8 | Very high | 89.7 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 113 | 174.1 | -175.5 | 177 | -49.6 | 0 | 0 | 110.4 | L69 R97 L98 A99 Y108 Q286 M289 | L69-M106 HydrophobicContact CD2-CE 4.46Å; R97-M106 HydrophobicContact CB-CG 4.17Å; R97-M106 HydrophobicContact CB-SD 4.12Å; L98-M106 CarbonylContact O-C 3.6Å; L98-M106 WeakPolarHBondContact O-CA 3.37Å; A99-M106 HydrophobicContact CB-CB 4.02Å; A99-M106 HydrophobicContact CB-CE 3.88Å; A99-M106 HydrophobicContact CB-CG 3.93Å; M106-Y108 HydrophobicContact CB-CE2 4.16Å; M106-Y108 HydrophobicContact CG-CD2 4.11Å; M106-Y108 HydrophobicContact CG-CE2 3.71Å; M106-Y108 WeakPolarHBondContact O-CD2 3.48Å; M106-Y108 HydrophobicContact SD-CE1 4.42Å; M106-Y108 HydrophobicContact SD-CE2 3.75Å; M106-Q286 PolarHBondContact N-O 2.93Å; M106-Q286 PolarHBondContact O-N 2.93Å; M106-M289 VanDerWaalsContact CE-C 3.49Å |
| 107 | L | 92.3 | Very high | 89.5 | Confident | 0 Ų | 0 | 45.2 Ų | 45.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134.4 | 168.7 | -53.7 | 177.4 | 0 | 0 | 0 | 109.4 | R97 L98 F109 M155 M158 L282 I285 | R97-L107 CarbonylContact C-O 3.56Å; R97-L107 VanDerWaalsContact CA-O 3.24Å; R97-L107 WeakPolarHBondContact CA-O 3.48Å; L98-L107 HydrophobicContact CB-CB 4.43Å; L98-L107 HydrophobicContact CD2-CD1 4.38Å; L98-L107 PolarHBondContact N-O 2.94Å; L98-L107 PolarHBondContact O-N 3.42Å; L107-F109 HydrophobicContact CB-CD2 4.28Å; L107-F109 HydrophobicContact CB-CE2 3.56Å; L107-F109 HydrophobicContact CB-CZ 3.9Å; L107-F109 HydrophobicContact CD1-CE2 3.97Å; L107-F109 HydrophobicContact CD1-CZ 3.77Å; L107-F109 HydrophobicContact CG-CE2 4.41Å; L107-F109 HydrophobicContact CG-CZ 4.45Å; L107-M155 HydrophobicContact CD1-CB 4.26Å; L107-M155 HydrophobicContact CD1-CG 4.18Å; L107-M158 HydrophobicContact CD1-CB 4.05Å; L107-M158 HydrophobicContact CD1-CE 4.26Å; L107-M158 HydrophobicContact CD1-CG 4.01Å; L107-M158 HydrophobicContact CD1-SD 3.71Å; L107-M158 HydrophobicContact CD2-CE 3.96Å; L107-M158 HydrophobicContact CD2-SD 4.47Å; L107-M158 HydrophobicContact CG-CE 3.76Å; L107-M158 HydrophobicContact CG-SD 3.71Å; L107-L282 HydrophobicContact CB-CD1 4.49Å; L107-I285 HydrophobicContact CD2-CB 4.2Å; L107-I285 HydrophobicContact CD2-CD1 3.67Å; L107-I285 HydrophobicContact CD2-CG1 3.55Å; L107-I285 HydrophobicContact CD2-CG2 3.95Å |
| 108 | Y | 92.9 | Very high | 89.4 | Confident | 29 Ų | 29 | 48.4 Ų | 48.4 | 11% | 0.114 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 114.2 | 174.8 | -71.4 | -111.2 | 0 | 0 | 0 | 109.4 | R97 M106 V283 K284 Q286 | R97-Y108 HydrophobicContact CG-CD1 4.01Å; R97-Y108 HydrophobicContact CG-CE1 4.27Å; R97-Y108 HydrophobicContact CG-CG 4.5Å; M106-Y108 HydrophobicContact CB-CE2 4.16Å; M106-Y108 HydrophobicContact CG-CD2 4.11Å; M106-Y108 HydrophobicContact CG-CE2 3.71Å; M106-Y108 WeakPolarHBondContact O-CD2 3.48Å; M106-Y108 HydrophobicContact SD-CE1 4.42Å; M106-Y108 HydrophobicContact SD-CE2 3.75Å; Y108-V283 PolarHBondContact O-N 3.42Å; Y108-K284 HydrophobicContact CD2-CD 4.45Å; Y108-K284 HydrophobicContact CD2-CG 3.81Å; Y108-K284 HydrophobicContact CG-CD 4.48Å; Y108-K284 HydrophobicContact CG-CG 3.81Å; Y108-K284 PolarHBondContact N-O 2.81Å; Y108-K284 PolarHBondContact O-N 3.17Å; Y108-Q286 HydrophobicContact CD2-CB 4.46Å; Y108-Q286 HydrophobicContact CE2-CB 3.82Å; Y108-Q286 PolarHBondContact OH-OE1 2.98Å |
| 109 | F | 93.8 | Very high | 89.3 | Confident | 1 Ų | 1 | 52 Ų | 52 | 0% | 0.004 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 135.6 | 175.7 | -59.3 | -79.1 | 0 | 0 | 0 | 111.3 | N95 M96 L98 L107 M155 F159 I191 L280 Q281 L282 | N95-F109 CarbonylContact C-O 3.53Å; N95-F109 VanDerWaalsContact CA-O 3.32Å; N95-F109 WeakPolarHBondContact CA-O 3.39Å; M96-F109 HydrophobicContact CB-CB 4.42Å; M96-F109 HydrophobicContact CE-CB 4.43Å; M96-F109 HydrophobicContact CE-CD2 3.62Å; M96-F109 HydrophobicContact CE-CE2 4.18Å; M96-F109 HydrophobicContact CE-CG 4.22Å; M96-F109 PolarHBondContact N-O 2.8Å; M96-F109 WeakPolarHBondContact O-CA 3.22Å; M96-F109 WeakPolarHBondContact O-CB 3.48Å; M96-F109 PolarHBondContact O-N 3.39Å; L98-F109 HydrophobicContact CB-CE2 4.26Å; L107-F109 HydrophobicContact CB-CD2 4.28Å; L107-F109 HydrophobicContact CB-CE2 3.56Å; L107-F109 HydrophobicContact CB-CZ 3.9Å; L107-F109 HydrophobicContact CD1-CE2 3.97Å; L107-F109 HydrophobicContact CD1-CZ 3.77Å; L107-F109 HydrophobicContact CG-CE2 4.41Å; L107-F109 HydrophobicContact CG-CZ 4.45Å; F109-M155 HydrophobicContact CE1-SD 3.54Å; F109-M155 VanDerWaalsContact CE1-SD 3.54Å; F109-M155 HydrophobicContact CZ-CG 4.22Å; F109-M155 HydrophobicContact CZ-SD 3.71Å; F109-F159 HydrophobicContact CE2-CZ 4.35Å; F109-F159 HydrophobicContact CZ-CE1 4.48Å; F109-F159 AromaticContact CZ-CZ 3.86Å; F109-F159 HydrophobicContact CZ-CZ 3.86Å; F109-I191 HydrophobicContact CD1-CD1 4.05Å; F109-I191 HydrophobicContact CE1-CD1 3.58Å; F109-L280 HydrophobicContact CB-CB 4.34Å; F109-L280 HydrophobicContact CB-CD2 4.19Å; F109-L280 HydrophobicContact CD1-CB 4.26Å; F109-L280 HydrophobicContact CG-CB 4.49Å; F109-Q281 CarbonylContact C-O 3.51Å; F109-Q281 VanDerWaalsContact CA-O 3.26Å; F109-Q281 WeakPolarHBondContact CA-O 3.46Å; F109-L282 HydrophobicContact CD1-CB 4.3Å; F109-L282 HydrophobicContact CD1-CD1 4.14Å; F109-L282 HydrophobicContact CE1-CB 4.2Å; F109-L282 HydrophobicContact CE1-CD1 3.79Å; F109-L282 HydrophobicContact CZ-CD1 4.28Å |
| 110 | K | 93.3 | Very high | 89.2 | Confident | 74 Ų | 74 | 52.2 Ų | 52.2 | 32% | 0.322 | 26% | 0.256 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 127.3 | 162.8 | 179 | -177.7 | 176.8 | -169.1 | 0 | 107.3 | T93 L112 L280 Q281 V283 | T93-K110 HydrophobicContact CG2-CG 4.42Å; K110-L112 HydrophobicContact CD-CD2 3.74Å; K110-L112 HydrophobicContact CG-CD2 3.97Å; K110-L280 WeakPolarHBondContact O-CA 3.49Å; K110-Q281 PolarHBondContact N-O 2.87Å; K110-Q281 PolarHBondContact O-N 2.76Å; K110-V283 HydrophobicContact CB-CG2 3.6Å |
| 111 | V | 94.1 | Very high | 89.1 | Confident | 11 Ų | 11 | 49.5 Ų | 49.5 | 7% | 0.067 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.6 | 113.8 | 172.1 | -173.9 | 0 | 0 | 0 | 0 | 107.2 | I94 M96 M278 L280 | I94-V111 HydrophobicContact CB-CB 4.13Å; I94-V111 HydrophobicContact CB-CG2 4.39Å; I94-V111 HydrophobicContact CG2-CB 4.13Å; I94-V111 HydrophobicContact CG2-CG2 3.88Å; I94-V111 WeakPolarHBondContact O-CB 3.22Å; I94-V111 PolarHBondContact O-N 3.25Å; M96-V111 HydrophobicContact CB-CG2 4.08Å; V111-M278 HydrophobicContact CB-CE 4.29Å; V111-M278 HydrophobicContact CG1-CE 3.61Å; V111-M278 HydrophobicContact CG2-CE 3.62Å; V111-L280 HydrophobicContact CB-CD2 4.46Å; V111-L280 HydrophobicContact CG2-CD2 3.83Å |
| 112 | L | 92.3 | Very high | 89.2 | Confident | 60 Ų | 60 | 53.5 Ų | 53.5 | 31% | 0.314 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.4 | -49.2 | -179.5 | -63.9 | 178.7 | 0 | 0 | 0 | 111.2 | K110 E190 T279 Q281 | K110-L112 HydrophobicContact CD-CD2 3.74Å; K110-L112 HydrophobicContact CG-CD2 3.97Å; L112-E190 HydrophobicContact CD1-CG 3.97Å; L112-E190 WeakPolarHBondContact CD1-OE1 3.23Å; L112-T279 HydrophobicContact CB-CG2 4.08Å; L112-T279 HydrophobicContact CD1-CG2 4.16Å; L112-T279 PolarHBondContact N-O 2.91Å; L112-Q281 HydrophobicContact CD1-CB 3.95Å; L112-Q281 HydrophobicContact CG-CB 4.22Å |
| 113 | K | 93.3 | Very high | 89.8 | Confident | 128 Ų | 128 | 52.4 Ų | 52.4 | 56% | 0.557 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 141.4 | -178.5 | -60.7 | 159.5 | -173.1 | 149.2 | 0 | 108.3 | E190 M278 T279 | K113-E190 IonicContact NZ-OE1 3.94Å; K113-M278 WeakPolarHBondContact O-CA 3.36Å; K113-T279 PolarHBondContact O-N 3.43Å |
| 114 | Y | 93.5 | Very high | 90.6 | Very high | 77 Ų | 77 | 46 Ų | 46 | 30% | 0.302 | 25% | 0.247 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 152.6 | 173.1 | 75.3 | -79 | 0 | 0 | 0 | 111.6 | N41 L45 I94 L116 R277 | N41-Y114 HydrophobicContact CB-CE2 4.37Å; L45-Y114 HydrophobicContact CD2-CD2 4.02Å; L45-Y114 HydrophobicContact CD2-CG 4.31Å; I94-Y114 HydrophobicContact CD1-CD1 4.03Å; I94-Y114 HydrophobicContact CD1-CE1 3.48Å; I94-Y114 VanDerWaalsContact CD1-CE1 3.48Å; Y114-L116 HydrophobicContact CD2-CD2 4.35Å; Y114-L116 HydrophobicContact CE2-CD2 4.25Å; Y114-R277 CarbonylContact C-O 3.59Å; Y114-R277 WeakPolarHBondContact CA-O 3.33Å |
| 115 | S | 93.2 | Very high | 90.7 | Very high | 41 Ų | 41 | 55.6 Ų | 55.6 | 29% | 0.287 | 28% | 0.284 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.8 | 138.8 | 172.9 | -46.5 | 0 | 0 | 0 | 0 | 109.1 | P276 R277 | S115-P276 VanDerWaalsContact O-CA 3.26Å; S115-P276 WeakPolarHBondContact O-CA 3.41Å; S115-P276 WeakPolarHBondContact O-CB 3.22Å; S115-R277 PolarHBondContact N-O 2.84Å; S115-R277 PolarHBondContact O-N 2.95Å |
| 116 | L | 93.6 | Very high | 90 | Very high | 9 Ų | 9 | 61.5 Ų | 61.5 | 5% | 0.047 | 31% | 0.307 | C | S | . | . | trans | -78 | 162.2 | -179.8 | -55.5 | 178.1 | 0 | 0 | 0 | 110.8 | Q44 L45 Y114 K118 D119 V120 | Q44-L116 HydrophobicContact CB-CD1 4.03Å; Q44-L116 HydrophobicContact CB-CD2 4.2Å; L45-L116 HydrophobicContact CB-CD2 3.87Å; L45-L116 HydrophobicContact CD1-CD2 4.35Å; Y114-L116 HydrophobicContact CD2-CD2 4.35Å; Y114-L116 HydrophobicContact CE2-CD2 4.25Å; L116-K118 PolarHBondContact O-N 3.2Å; L116-D119 VanDerWaalsContact CB-OD2 3.31Å; L116-D119 WeakPolarHBondContact CB-OD2 3.15Å; L116-D119 PolarHBondContact N-OD2 3.21Å; L116-D119 PolarHBondContact O-N 2.85Å; L116-D119 VanDerWaalsContact O-N 3.16Å; L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 2.85Å; L116-V120 VanDerWaalsContact O-N 3.14Å | ||
| 117 | I | 90.6 | Very high | 89.2 | Confident | 8 Ų | 8 | 66.5 Ų | 66.5 | 4% | 0.041 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58 | -35.5 | 175.7 | -71.7 | 179.3 | 0 | 0 | 0 | 110.9 | D48 K51 D119 V120 V121 M129 I274 | D48-I117 HydrophobicContact CB-CB 4.49Å; D48-I117 HydrophobicContact CB-CD1 3.55Å; D48-I117 HydrophobicContact CB-CG1 3.75Å; D48-I117 VanDerWaalsContact CG-CD1 3.5Å; D48-I117 VanDerWaalsContact CG-CG1 3.48Å; D48-I117 WeakPolarHBondContact OD2-CB 3.2Å; D48-I117 WeakPolarHBondContact OD2-CG1 3.28Å; D48-I117 PolarHBondContact OD2-N 2.96Å; K51-I117 HydrophobicContact CD-CD1 4.02Å; I117-D119 PolarHBondContact O-N 3.15Å; I117-V120 PolarHBondContact O-N 3.39Å; I117-V121 HydrophobicContact CG2-CG2 3.89Å; I117-V121 VanDerWaalsContact O-CB 3.23Å; I117-V121 WeakPolarHBondContact O-CB 3.49Å; I117-V121 WeakPolarHBondContact O-CG2 3.5Å; I117-V121 PolarHBondContact O-N 3.25Å; I117-M129 HydrophobicContact CG2-CE 3.66Å; I117-M129 HydrophobicContact CG2-SD 4.35Å; I117-I274 WeakPolarHBondContact CD1-O 3.45Å; I117-I274 WeakPolarHBondContact CG1-O 3.47Å |
| 118 | K | 90.3 | Very high | 88.2 | Confident | 132 Ų | 132 | 72.9 Ų | 72.9 | 57% | 0.574 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -58.8 | -46.8 | 178 | -66.6 | 178.4 | 175.8 | 177.9 | 0 | 112.1 | L116 V121 S122 | L116-K118 PolarHBondContact O-N 3.2Å; K118-V121 PolarHBondContact O-N 3.03Å; K118-S122 WeakPolarHBondContact O-CB 3.47Å; K118-S122 PolarHBondContact O-N 3.07Å; K118-S122 PolarHBondContact O-OG 3.33Å |
| 119 | D | 91.6 | Very high | 87 | Confident | 77 Ų | 77 | 74.7 Ų | 74.7 | 41% | 0.412 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -67.6 | -47.2 | -175.9 | -36.8 | -30.3 | 0 | 0 | 0 | 109.2 | L116 I117 V121 S122 S123 | L116-D119 VanDerWaalsContact CB-OD2 3.31Å; L116-D119 WeakPolarHBondContact CB-OD2 3.15Å; L116-D119 PolarHBondContact N-OD2 3.21Å; L116-D119 PolarHBondContact O-N 2.85Å; L116-D119 VanDerWaalsContact O-N 3.16Å; I117-D119 PolarHBondContact O-N 3.15Å; D119-V121 PolarHBondContact O-N 3.28Å; D119-S122 PolarHBondContact O-N 3.17Å; D119-S122 PolarHBondContact O-OG 3.03Å; D119-S123 PolarHBondContact O-N 2.86Å; D119-S123 VanDerWaalsContact O-N 3.11Å |
| 120 | V | 89.3 | Confident | 86 | Confident | 4 Ų | 4 | 78.8 Ų | 78.8 | 2% | 0.024 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -58.3 | -47.3 | 174.5 | 175.3 | 0 | 0 | 0 | 0 | 111.5 | L116 I117 S122 S123 L124 E273 R277 | L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 2.85Å; L116-V120 VanDerWaalsContact O-N 3.14Å; I117-V120 PolarHBondContact O-N 3.39Å; V120-S122 VanDerWaalsContact C-N 3.34Å; V120-S122 PolarHBondContact O-N 3.4Å; V120-S123 WeakPolarHBondContact O-CB 3.47Å; V120-S123 PolarHBondContact O-N 2.92Å; V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 WeakPolarHBondContact O-CG 3.29Å; V120-L124 PolarHBondContact O-N 2.87Å; V120-E273 HydrophobicContact CG1-CB 3.89Å; V120-E273 WeakPolarHBondContact CG1-OE2 3.49Å; V120-R277 HydrophobicContact CG2-CG 3.93Å |
| 121 | V | 87.9 | Confident | 85.2 | Confident | 28 Ų | 28 | 83.5 Ų | 83.5 | 17% | 0.17 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -63.4 | -38.2 | 178.2 | 166.2 | 0 | 0 | 0 | 0 | 111.8 | I117 K118 D119 S123 L124 H127 M129 | I117-V121 HydrophobicContact CG2-CG2 3.89Å; I117-V121 VanDerWaalsContact O-CB 3.23Å; I117-V121 WeakPolarHBondContact O-CB 3.49Å; I117-V121 WeakPolarHBondContact O-CG2 3.5Å; I117-V121 PolarHBondContact O-N 3.25Å; K118-V121 PolarHBondContact O-N 3.03Å; D119-V121 PolarHBondContact O-N 3.28Å; V121-S123 VanDerWaalsContact C-N 3.28Å; V121-S123 PolarHBondContact O-N 2.85Å; V121-L124 PolarHBondContact O-N 2.69Å; V121-H127 HydrophobicContact CG1-CB 4.1Å; V121-M129 HydrophobicContact CG2-SD 3.67Å |
| 122 | S | 87.6 | Confident | 84.4 | Confident | 103 Ų | 103 | 89.9 Ų | 89.9 | 72% | 0.72 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -67.9 | -26.8 | 176.9 | 75.2 | 0 | 0 | 0 | 0 | 113.5 | K118 D119 V120 L124 | K118-S122 WeakPolarHBondContact O-CB 3.47Å; K118-S122 PolarHBondContact O-N 3.07Å; K118-S122 PolarHBondContact O-OG 3.33Å; D119-S122 PolarHBondContact O-N 3.17Å; D119-S122 PolarHBondContact O-OG 3.03Å; V120-S122 VanDerWaalsContact C-N 3.34Å; V120-S122 PolarHBondContact O-N 3.4Å; S122-L124 VanDerWaalsContact C-N 3.33Å |
| 123 | S | 88.1 | Confident | 83.9 | Confident | 86 Ų | 86 | 87.6 Ų | 87.6 | 60% | 0.601 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -76.6 | -15.9 | 174.6 | -177.1 | 0 | 0 | 0 | 0 | 113.6 | D119 V120 V121 | D119-S123 PolarHBondContact O-N 2.86Å; D119-S123 VanDerWaalsContact O-N 3.11Å; V120-S123 WeakPolarHBondContact O-CB 3.47Å; V120-S123 PolarHBondContact O-N 2.92Å; V121-S123 VanDerWaalsContact C-N 3.28Å; V121-S123 PolarHBondContact O-N 2.85Å |
| 124 | L | 85.3 | Confident | 83.4 | Confident | 50 Ų | 50 | 82.4 Ų | 82.4 | 26% | 0.262 | 40% | 0.401 | S | S | . | . | trans | -98.1 | 111.4 | -174 | -68.3 | 166.5 | 0 | 0 | 0 | 112 | V120 V121 S122 K126 E273 | V120-L124 HydrophobicContact CG1-CD1 4.16Å; V120-L124 WeakPolarHBondContact O-CG 3.29Å; V120-L124 PolarHBondContact O-N 2.87Å; V121-L124 PolarHBondContact O-N 2.69Å; S122-L124 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 3.22Å; L124-E273 HydrophobicContact CD1-CB 4.11Å; L124-E273 WeakPolarHBondContact CD1-O 3.3Å | ||
| 125 | K | 80.6 | Confident | 83 | Confident | 218 Ų | 218 | 82.7 Ų | 82.7 | 95% | 0.948 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -50.7 | -27.3 | 175.8 | -65.7 | -176.5 | 178.7 | 179.8 | 0 | 114.3 | ||
| 126 | K | 75.8 | Confident | 82.7 | Confident | 153 Ų | 153 | 83 Ų | 83 | 67% | 0.665 | 41% | 0.408 | S | S | * | . | S | Bend | trans | -144.1 | 95 | 175.2 | -61.1 | -178.3 | -170.2 | 176.8 | 0 | 110.4 | L124 E240 | L124-K126 PolarHBondContact O-N 3.22Å; K126-E240 IonicContact NZ-OE1 3.8Å; K126-E240 PolarHBondContact NZ-OE1 2.93Å |
| 127 | H | 74.6 | Confident | 82.4 | Confident | 108 Ų | 108 | 84.5 Ų | 84.5 | 50% | 0.5 | 41% | 0.414 | S | S | . | . | trans | -83.9 | 141.9 | 171 | 64.7 | 86.4 | 0 | 0 | 0 | 111.3 | V121 | V121-H127 HydrophobicContact CG1-CB 4.1Š| ||
| 128 | R | 70.1 | Confident | 82.3 | Confident | 134 Ų | 134 | 84.1 Ų | 84.1 | 51% | 0.506 | 41% | 0.412 | S | S | . | . | trans | -126.5 | 60.3 | 179.6 | -158.5 | -175.3 | -165.8 | -125 | 2.6 | 112.6 | H130 Q133 | R128-H130 PolarHBondContact NE-NE2 2.82Å; R128-Q133 PolarHBondContact O-NE2 2.86Å; R128-Q133 PolarHBondContact O-OE1 2.96Å | ||
| 129 | M | 68.9 | Low | 82.2 | Confident | 67 Ų | 67 | 79.5 Ų | 79.5 | 33% | 0.33 | 39% | 0.394 | S | S | . | . | trans | -81.6 | 113.1 | 174.1 | -54.5 | -176.6 | 91 | 0 | 0 | 110.3 | I117 V121 F134 I274 | I117-M129 HydrophobicContact CG2-CE 3.66Å; I117-M129 HydrophobicContact CG2-SD 4.35Å; V121-M129 HydrophobicContact CG2-SD 3.67Å; M129-F134 HydrophobicContact CE-CZ 4.24Å; M129-I274 HydrophobicContact CE-CG2 3.89Å; M129-I274 HydrophobicContact CG-CD1 4.22Å; M129-I274 HydrophobicContact CG-CG1 4.32Å | ||
| 130 | H | 71.6 | Confident | 82.1 | Confident | 86 Ų | 86 | 77.9 Ų | 77.9 | 40% | 0.398 | 39% | 0.385 | S | S | . | . | trans | -112.9 | 132.5 | 170 | -70.5 | -76.7 | 0 | 0 | 0 | 109 | R128 Q132 Q133 | R128-H130 PolarHBondContact NE-NE2 2.82Å; H130-Q132 PolarHBondContact O-N 2.85Å; H130-Q133 HydrophobicContact CB-CG 4.1Å; H130-Q133 VanDerWaalsContact O-CB 3.3Å; H130-Q133 WeakPolarHBondContact O-CB 3.19Å; H130-Q133 PolarHBondContact O-N 3.35Å; H130-Q133 PolarHBondContact O-OE1 3.16Å | ||
| 131 | E | 76.2 | Confident | 82.2 | Confident | 173 Ų | 173 | 81.2 Ų | 81.2 | 81% | 0.808 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -59 | -33.6 | 179.9 | -164.4 | 165.1 | -162.9 | 0 | 0 | 112.1 | Q133 F134 | E131-Q133 PolarHBondContact O-N 2.99Å; E131-Q133 VanDerWaalsContact O-N 3.07Å; E131-F134 PolarHBondContact O-N 3.3Å |
| 132 | Q | 78.6 | Confident | 82.3 | Confident | 145 Ų | 145 | 82 Ų | 82 | 68% | 0.678 | 41% | 0.405 | S | S | * | . | G | 310 helix | trans | -67.2 | 1 | 173.2 | -58.8 | -177.5 | -0.1 | 0 | 0 | 115.7 | H130 T135 K177 | H130-Q132 PolarHBondContact O-N 2.85Å; Q132-T135 PolarHBondContact O-OG1 3.41Å; Q132-K177 WeakPolarHBondContact O-CD 3.45Å; Q132-K177 PolarHBondContact O-NZ 2.88Å; Q132-K177 VanDerWaalsContact O-NZ 3.13Å |
| 133 | Q | 80.5 | Confident | 82.4 | Confident | 13 Ų | 13 | 78.8 Ų | 78.8 | 6% | 0.061 | 38% | 0.382 | C | S | . | . | G | 310 helix | trans | -83.5 | -30.5 | 165.8 | -69.4 | 157.3 | -27.5 | 0 | 0 | 111.1 | R128 H130 E131 K177 R178 S197 I274 | R128-Q133 PolarHBondContact O-NE2 2.86Å; R128-Q133 PolarHBondContact O-OE1 2.96Å; H130-Q133 HydrophobicContact CB-CG 4.1Å; H130-Q133 VanDerWaalsContact O-CB 3.3Å; H130-Q133 WeakPolarHBondContact O-CB 3.19Å; H130-Q133 PolarHBondContact O-N 3.35Å; H130-Q133 PolarHBondContact O-OE1 3.16Å; E131-Q133 PolarHBondContact O-N 2.99Å; E131-Q133 VanDerWaalsContact O-N 3.07Å; Q133-K177 HydrophobicContact CB-CB 4.45Å; Q133-K177 HydrophobicContact CG-CB 4.3Å; Q133-R178 HydrophobicContact CB-CG 4.03Å; Q133-R178 WeakPolarHBondContact O-CD 3.41Å; Q133-R178 PolarHBondContact O-NE 3.42Å; Q133-S197 PolarHBondContact NE2-OG 2.82Å; Q133-I274 VanDerWaalsContact OE1-CD1 3.25Å |
| 134 | F | 83.6 | Confident | 82.2 | Confident | 18 Ų | 18 | 79.2 Ų | 79.2 | 8% | 0.079 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -16.1 | -173.9 | -61.7 | -83.3 | 0 | 0 | 0 | 113.8 | K51 Q54 M129 E131 H136 I274 | K51-F134 HydrophobicContact CB-CD1 4.24Å; K51-F134 HydrophobicContact CB-CE1 3.96Å; K51-F134 WeakPolarHBondContact O-CD1 3.46Å; Q54-F134 CarbonylContact C-O 3.6Å; Q54-F134 HydrophobicContact CB-CB 4.25Å; Q54-F134 WeakPolarHBondContact CB-O 3.34Å; M129-F134 HydrophobicContact CE-CZ 4.24Å; E131-F134 PolarHBondContact O-N 3.3Å; F134-H136 PolarHBondContact O-N 3.49Å; F134-I274 HydrophobicContact CE1-CG2 4.01Å; F134-I274 HydrophobicContact CZ-CG2 3.55Å |
| 135 | T | 86.1 | Confident | 81.9 | Confident | 83 Ų | 83 | 78.3 Ų | 78.3 | 51% | 0.509 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -21.1 | 174.5 | 54.4 | 0 | 0 | 0 | 0 | 114 | Q132 | Q132-T135 PolarHBondContact O-OG1 3.41Š|
| 136 | H | 86.3 | Confident | 81.1 | Confident | 49 Ų | 49 | 71 Ų | 71 | 23% | 0.227 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -107.4 | 147.9 | 175 | -51 | -85.9 | 0 | 0 | 0 | 109.7 | F134 T175 K177 R178 | F134-H136 PolarHBondContact O-N 3.49Å; H136-T175 WeakPolarHBondContact CB-O 3.43Å; H136-K177 PolarHBondContact CD2-NZ 3.13Å; H136-K177 PolarHBondContact NE2-NZ 3.43Å; H136-R178 PolarHBondContact O-NH2 2.87Å |
| 137 | H | 86.6 | Confident | 80.7 | Confident | 39 Ų | 39 | 69.8 Ų | 69.8 | 18% | 0.181 | 36% | 0.364 | C | S | . | . | P | Polyproline II helix | trans | -64 | 151.2 | 173.2 | 65.2 | 86.3 | 0 | 0 | 0 | 110.6 | Y56 P164 | Y56-H137 HydrophobicContact CD2-CB 4.29Å; Y56-H137 HydrophobicContact CE2-CB 4.01Å; H137-P164 HydrophobicContact CB-CG 4.35Å |
| 138 | P | 89.4 | Confident | 80.3 | Confident | 1 Ų | 1 | 67.5 Ų | 67.5 | 1% | 0.006 | 36% | 0.355 | C | S | . | . | P | Polyproline II helix | trans | -72.9 | 162.7 | 169.9 | 33.6 | -35.5 | 0 | 0 | 0 | 111.2 | F163 R178 V180 | P138-F163 HydrophobicContact CG-CD1 3.88Å; P138-F163 HydrophobicContact CG-CE1 3.42Å; P138-F163 VanDerWaalsContact CG-CE1 3.42Å; P138-F163 HydrophobicContact CG-CZ 4.2Å; P138-R178 CarbonylContact C-O 3.6Å; P138-R178 VanDerWaalsContact CA-O 3.28Å; P138-R178 WeakPolarHBondContact CA-O 3.42Å; P138-R178 HydrophobicContact CB-CB 3.98Å; P138-V180 HydrophobicContact CB-CG2 3.96Å; P138-V180 HydrophobicContact CG-CG2 3.91Å |
| 139 | L | 88.5 | Confident | 80.5 | Confident | 35 Ų | 35 | 63.3 Ų | 63.3 | 18% | 0.183 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 152.4 | 157 | -60.5 | -175.5 | 0 | 0 | 0 | 110.5 | I166 I176 R178 C179 V180 | L139-I166 HydrophobicContact CD2-CD1 3.36Å; L139-I176 HydrophobicContact CD1-CD1 4.47Å; L139-I176 HydrophobicContact CD1-CG2 3.57Å; L139-I176 HydrophobicContact CD2-CD1 4.02Å; L139-I176 HydrophobicContact CD2-CG1 3.99Å; L139-I176 HydrophobicContact CD2-CG2 4.23Å; L139-I176 HydrophobicContact CG-CG2 3.83Å; L139-R178 PolarHBondContact N-O 3.05Å; L139-C179 HydrophobicContact CB-CB 4.03Å; L139-C179 CarbonylContact O-C 3.57Å; L139-C179 WeakPolarHBondContact O-CA 3.49Å; L139-V180 PolarHBondContact O-N 2.91Å |
| 140 | L | 89.8 | Confident | 81.3 | Confident | 42 Ų | 42 | 68 Ų | 68 | 22% | 0.22 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 132.1 | 163.5 | -179.5 | 68.5 | 0 | 0 | 0 | 109.5 | L142 F159 Q160 F163 F182 | L140-L142 HydrophobicContact CD1-CD2 3.84Å; L140-L142 HydrophobicContact CD1-CG 4.45Å; L140-L142 HydrophobicContact CD2-CD1 4.2Å; L140-L142 HydrophobicContact CD2-CD2 4.04Å; L140-L142 HydrophobicContact CD2-CG 3.97Å; L140-L142 HydrophobicContact CG-CD2 3.98Å; L140-L142 HydrophobicContact CG-CG 4.04Å; L140-F159 HydrophobicContact CD1-CB 4.45Å; L140-F159 VanDerWaalsContact CD2-C 3.5Å; L140-F159 HydrophobicContact CD2-CB 4.18Å; L140-F159 WeakPolarHBondContact CD2-O 3.36Å; L140-Q160 HydrophobicContact CD2-CB 4.36Å; L140-Q160 HydrophobicContact CD2-CG 4Å; L140-F163 HydrophobicContact CB-CD2 4.05Å; L140-F163 HydrophobicContact CD1-CD2 4.08Å; L140-F163 HydrophobicContact CD1-CE2 3.92Å; L140-F163 HydrophobicContact CD2-CD2 4.39Å; L140-F163 HydrophobicContact CG-CD2 4.41Å; L140-F182 HydrophobicContact CD1-CD2 3.49Å; L140-F182 VanDerWaalsContact CD1-CD2 3.49Å; L140-F182 HydrophobicContact CD1-CE2 3.53Å |
| 141 | I | 90.3 | Very high | 81.9 | Confident | 75 Ų | 75 | 66 Ų | 66 | 39% | 0.385 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 125.2 | 167.9 | -55 | 175 | 0 | 0 | 0 | 107.2 | C179 V180 L181 F182 | I141-C179 HydrophobicContact CD1-CB 3.98Å; I141-C179 HydrophobicContact CG1-CB 4.43Å; I141-V180 PolarHBondContact N-O 3.14Å; I141-L181 HydrophobicContact CB-CD1 3.96Å; I141-L181 HydrophobicContact CG2-CD1 3.66Å; I141-F182 PolarHBondContact O-N 2.82Å |
| 142 | L | 90.4 | Very high | 82.5 | Confident | 45 Ų | 45 | 57.9 Ų | 57.9 | 24% | 0.236 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 110.3 | 175.3 | -62.6 | -174.1 | 0 | 0 | 0 | 108.8 | L140 F145 A156 F159 Q160 F182 | L140-L142 HydrophobicContact CD1-CD2 3.84Å; L140-L142 HydrophobicContact CD1-CG 4.45Å; L140-L142 HydrophobicContact CD2-CD1 4.2Å; L140-L142 HydrophobicContact CD2-CD2 4.04Å; L140-L142 HydrophobicContact CD2-CG 3.97Å; L140-L142 HydrophobicContact CG-CD2 3.98Å; L140-L142 HydrophobicContact CG-CG 4.04Å; L142-F145 HydrophobicContact CB-CB 4.04Å; L142-F145 HydrophobicContact CB-CD2 3.73Å; L142-F145 HydrophobicContact CB-CG 4.07Å; L142-F145 HydrophobicContact CD1-CB 4.31Å; L142-F145 HydrophobicContact CD1-CG 4.35Å; L142-F145 HydrophobicContact CD2-CD2 4.08Å; L142-F145 HydrophobicContact CD2-CE2 4.13Å; L142-F145 HydrophobicContact CD2-CG 4.42Å; L142-F145 HydrophobicContact CD2-CZ 4.48Å; L142-F145 HydrophobicContact CG-CD2 4.37Å; L142-A156 HydrophobicContact CD1-CB 3.96Å; L142-F159 HydrophobicContact CD2-CB 4.19Å; L142-F159 HydrophobicContact CD2-CD2 4.28Å; L142-Q160 HydrophobicContact CD1-CG 4.05Å; L142-F182 WeakPolarHBondContact CA-O 3.16Å; L142-F182 HydrophobicContact CD2-CB 3.85Å; L142-F182 HydrophobicContact CD2-CD2 3.99Å; L142-F182 HydrophobicContact CD2-CG 4.2Å |
| 143 | S | 89.5 | Confident | 82.9 | Confident | 35 Ų | 35 | 58.3 Ų | 58.3 | 25% | 0.245 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 129.7 | 173.5 | 142.2 | 0 | 0 | 0 | 0 | 109.5 | F145 F182 S183 F184 | S143-F145 WeakPolarHBondContact O-CD2 3.46Å; S143-F145 PolarHBondContact O-N 2.86Å; S143-F182 PolarHBondContact N-O 2.84Å; S143-S183 PolarHBondContact OG-OG 3.5Å; S143-F184 PolarHBondContact O-N 3.46Å |
| 144 | N | 84.5 | Confident | 83.3 | Confident | 95 Ų | 95 | 60.2 Ų | 60.2 | 51% | 0.508 | 34% | 0.339 | S | S | . | . | S | Bend | trans | 65.8 | 10 | 176.6 | -46.1 | -4.7 | 0 | 0 | 0 | 115.3 | G146 F184 | N144-G146 PolarHBondContact O-N 2.83Å; N144-F184 HydrophobicContact CB-CB 4.43Å; N144-F184 VanDerWaalsContact CB-O 3.26Å; N144-F184 WeakPolarHBondContact CB-O 3.37Å; N144-F184 PolarHBondContact ND2-O 2.93Å |
| 145 | F | 78.6 | Confident | 83.6 | Confident | 31 Ų | 31 | 59.4 Ų | 59.4 | 14% | 0.136 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | 94.6 | 171.9 | -71.8 | -101.7 | 0 | 0 | 0 | 110.5 | L142 S143 V152 M155 A156 F159 F182 F184 I191 | L142-F145 HydrophobicContact CB-CB 4.04Å; L142-F145 HydrophobicContact CB-CD2 3.73Å; L142-F145 HydrophobicContact CB-CG 4.07Å; L142-F145 HydrophobicContact CD1-CB 4.31Å; L142-F145 HydrophobicContact CD1-CG 4.35Å; L142-F145 HydrophobicContact CD2-CD2 4.08Å; L142-F145 HydrophobicContact CD2-CE2 4.13Å; L142-F145 HydrophobicContact CD2-CG 4.42Å; L142-F145 HydrophobicContact CD2-CZ 4.48Å; L142-F145 HydrophobicContact CG-CD2 4.37Å; S143-F145 WeakPolarHBondContact O-CD2 3.46Å; S143-F145 PolarHBondContact O-N 2.86Å; F145-V152 HydrophobicContact CB-CG1 4.45Å; F145-V152 HydrophobicContact CD1-CG1 3.75Å; F145-V152 HydrophobicContact CE1-CG1 4.44Å; F145-V152 HydrophobicContact CG-CG1 4.36Å; F145-M155 HydrophobicContact CD1-CE 4.46Å; F145-M155 HydrophobicContact CE1-CE 3.8Å; F145-M155 HydrophobicContact CE1-CG 4.06Å; F145-M155 HydrophobicContact CE1-SD 4.26Å; F145-A156 HydrophobicContact CB-CB 4.06Å; F145-A156 HydrophobicContact CD1-CB 3.97Å; F145-A156 HydrophobicContact CG-CB 4.4Å; F145-F159 AromaticContact CE1-CD2 3.97Å; F145-F159 HydrophobicContact CE1-CD2 3.97Å; F145-F159 AromaticContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CZ-CD2 4.21Å; F145-F159 HydrophobicContact CZ-CE2 4Å; F145-F182 HydrophobicContact CE2-CB 3.61Å; F145-F182 HydrophobicContact CZ-CB 3.8Å; F145-F184 HydrophobicContact CD2-CB 4.05Å; F145-F184 HydrophobicContact CE2-CB 3.76Å; F145-F184 HydrophobicContact CZ-CB 4.01Å; F145-I191 HydrophobicContact CZ-CG2 4.02Å |
| 146 | G | 63.8 | Low | 83.8 | Confident | 65 Ų | 65 | 56 Ų | 56 | 67% | 0.67 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 175 | -26.4 | 171.8 | 0 | 0 | 0 | 0 | 0 | 116.6 | N144 | N144-G146 PolarHBondContact O-N 2.83Š|
| 147 | V | 66.6 | Low | 84 | Confident | 127 Ų | 127 | 56.2 Ų | 56.2 | 77% | 0.77 | 32% | 0.321 | S | S | * | . | S | Bend | trans | -85.5 | -44.8 | -173.8 | -168.9 | 0 | 0 | 0 | 0 | 111.4 | G149 | V147-G149 PolarHBondContact O-N 2.79Š|
| 148 | D | 66 | Low | 84.1 | Confident | 59 Ų | 59 | 54.6 Ų | 54.6 | 32% | 0.316 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -95.9 | 80.5 | -161.3 | -47.4 | -82.6 | 0 | 0 | 0 | 114.6 | V152 F184 | D148-V152 HydrophobicContact CB-CG2 4.38Å; D148-V152 VanDerWaalsContact O-CB 3.29Å; D148-V152 WeakPolarHBondContact O-CB 3.27Å; D148-V152 WeakPolarHBondContact O-CG2 3.4Å; D148-F184 HydrophobicContact CB-CE1 4.06Å |
| 149 | G | 75.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 54.7 Ų | 54.7 | 47% | 0.474 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | 73.2 | 168.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 117.5 | V147 H151 V152 K153 | V147-G149 PolarHBondContact O-N 2.79Å; G149-H151 VanDerWaalsContact C-N 3.28Å; G149-H151 PolarHBondContact O-N 3.43Å; G149-V152 PolarHBondContact O-N 2.98Å; G149-K153 PolarHBondContact O-N 2.89Å |
| 150 | M | 84.5 | Confident | 84.2 | Confident | 167 Ų | 167 | 58.2 Ų | 58.2 | 82% | 0.823 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65 | -29.9 | -170 | -163.6 | -177.9 | -64.8 | 0 | 0 | 113.5 | K153 L154 | M150-K153 PolarHBondContact O-N 3.15Å; M150-L154 WeakPolarHBondContact O-CB 3.39Å; M150-L154 PolarHBondContact O-N 3.09Å |
| 151 | H | 84.6 | Confident | 84.1 | Confident | 44 Ų | 44 | 59.3 Ų | 59.3 | 20% | 0.204 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -72.7 | -37.3 | -178.9 | 61.8 | -90 | 0 | 0 | 0 | 112.6 | G149 L154 M155 L282 I285 Y296 | G149-H151 VanDerWaalsContact C-N 3.28Å; G149-H151 PolarHBondContact O-N 3.43Å; H151-L154 PolarHBondContact O-N 2.82Å; H151-M155 WeakPolarHBondContact O-CB 3.49Å; H151-M155 PolarHBondContact O-N 3.39Å; H151-L282 HydrophobicContact CB-CD2 4.47Å; H151-I285 HydrophobicContact CB-CD1 3.81Å; H151-Y296 HydrophobicContact CB-CD1 4.19Å; H151-Y296 HydrophobicContact CB-CD2 4.19Å; H151-Y296 HydrophobicContact CB-CG 3.97Å; H151-Y296 AromaticContact CE1-CE2 3.99Å; H151-Y296 AromaticContact ND1-CD2 3.99Å; H151-Y296 AromaticContact ND1-CE2 3.75Å |
| 152 | V | 88.1 | Confident | 84 | Confident | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.006 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.5 | -37.9 | 172.7 | -178.9 | 0 | 0 | 0 | 0 | 110.7 | F145 D148 G149 M155 A156 F184 | F145-V152 HydrophobicContact CB-CG1 4.45Å; F145-V152 HydrophobicContact CD1-CG1 3.75Å; F145-V152 HydrophobicContact CE1-CG1 4.44Å; F145-V152 HydrophobicContact CG-CG1 4.36Å; D148-V152 HydrophobicContact CB-CG2 4.38Å; D148-V152 VanDerWaalsContact O-CB 3.29Å; D148-V152 WeakPolarHBondContact O-CB 3.27Å; D148-V152 WeakPolarHBondContact O-CG2 3.4Å; G149-V152 PolarHBondContact O-N 2.98Å; V152-M155 HydrophobicContact CB-CE 4.32Å; V152-M155 HydrophobicContact CG1-CE 4.15Å; V152-M155 HydrophobicContact CG2-CE 4.09Å; V152-M155 WeakPolarHBondContact O-CB 3.38Å; V152-M155 PolarHBondContact O-N 2.85Å; V152-A156 WeakPolarHBondContact O-CB 3.42Å; V152-A156 PolarHBondContact O-N 2.97Å; V152-F184 HydrophobicContact CG1-CD1 4.28Å; V152-F184 HydrophobicContact CG1-CE1 4.35Å; V152-F184 HydrophobicContact CG2-CE1 3.82Å; V152-F184 HydrophobicContact CG2-CE2 4.27Å; V152-F184 HydrophobicContact CG2-CZ 3.68Å |
| 153 | K | 88.9 | Confident | 83.8 | Confident | 154 Ų | 154 | 54.5 Ų | 54.5 | 67% | 0.67 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -61.7 | -43.2 | 174 | -169.8 | 172.7 | -176 | 174 | 0 | 112.5 | G149 M150 A156 T157 | G149-K153 PolarHBondContact O-N 2.89Å; M150-K153 PolarHBondContact O-N 3.15Å; K153-A156 PolarHBondContact O-N 2.89Å; K153-T157 PolarHBondContact O-N 3.18Å; K153-T157 VanDerWaalsContact O-N 3.08Å; K153-T157 PolarHBondContact O-OG1 3.36Å |
| 154 | L | 88.9 | Confident | 83.6 | Confident | 53 Ų | 53 | 53.9 Ų | 53.9 | 28% | 0.277 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.9 | -37.1 | 174.4 | 179.7 | 57 | 0 | 0 | 0 | 112.2 | M150 H151 T157 M158 I285 | M150-L154 WeakPolarHBondContact O-CB 3.39Å; M150-L154 PolarHBondContact O-N 3.09Å; H151-L154 PolarHBondContact O-N 2.82Å; L154-T157 PolarHBondContact O-OG1 2.87Å; L154-T157 VanDerWaalsContact O-OG1 3.06Å; L154-M158 WeakPolarHBondContact O-CG 3.47Å; L154-M158 PolarHBondContact O-N 2.93Å; L154-M158 VanDerWaalsContact O-N 3.08Å; L154-I285 HydrophobicContact CD2-CD1 4.07Å; L154-I285 HydrophobicContact CD2-CG2 3.91Å |
| 155 | M | 89.1 | Confident | 83.5 | Confident | 2 Ų | 2 | 54.7 Ų | 54.7 | 1% | 0.01 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -41.9 | 174.5 | 175.9 | 169.3 | 54.9 | 0 | 0 | 112.3 | L107 F109 F145 H151 V152 M158 F159 I191 | L107-M155 HydrophobicContact CD1-CB 4.26Å; L107-M155 HydrophobicContact CD1-CG 4.18Å; F109-M155 HydrophobicContact CE1-SD 3.54Å; F109-M155 VanDerWaalsContact CE1-SD 3.54Å; F109-M155 HydrophobicContact CZ-CG 4.22Å; F109-M155 HydrophobicContact CZ-SD 3.71Å; F145-M155 HydrophobicContact CD1-CE 4.46Å; F145-M155 HydrophobicContact CE1-CE 3.8Å; F145-M155 HydrophobicContact CE1-CG 4.06Å; F145-M155 HydrophobicContact CE1-SD 4.26Å; H151-M155 WeakPolarHBondContact O-CB 3.49Å; H151-M155 PolarHBondContact O-N 3.39Å; V152-M155 HydrophobicContact CB-CE 4.32Å; V152-M155 HydrophobicContact CG1-CE 4.15Å; V152-M155 HydrophobicContact CG2-CE 4.09Å; V152-M155 WeakPolarHBondContact O-CB 3.38Å; V152-M155 PolarHBondContact O-N 2.85Å; M155-M158 PolarHBondContact O-N 3.41Å; M155-F159 HydrophobicContact CG-CD2 3.93Å; M155-F159 HydrophobicContact CG-CE2 3.36Å; M155-F159 HydrophobicContact CG-CZ 3.91Å; M155-F159 WeakPolarHBondContact O-CD2 3.35Å; M155-F159 PolarHBondContact O-N 3.33Å; M155-F159 HydrophobicContact SD-CE2 3.92Å; M155-F159 HydrophobicContact SD-CZ 4.28Å; M155-I191 HydrophobicContact CE-CD1 3.81Å; M155-I191 HydrophobicContact CE-CG1 4.3Å; M155-I191 HydrophobicContact SD-CD1 3.39Å; M155-I191 WeakPolarHBondContact SD-CD1 3.43Å; M155-I191 HydrophobicContact SD-CG1 4.36Å |
| 156 | A | 90.1 | Very high | 83.6 | Confident | 10 Ų | 10 | 56 Ų | 56 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -60.5 | -46.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L142 F145 V152 K153 M158 F159 Q160 | L142-A156 HydrophobicContact CD1-CB 3.96Å; F145-A156 HydrophobicContact CB-CB 4.06Å; F145-A156 HydrophobicContact CD1-CB 3.97Å; F145-A156 HydrophobicContact CG-CB 4.4Å; V152-A156 WeakPolarHBondContact O-CB 3.42Å; V152-A156 PolarHBondContact O-N 2.97Å; K153-A156 PolarHBondContact O-N 2.89Å; A156-M158 VanDerWaalsContact C-N 3.31Å; A156-M158 PolarHBondContact O-N 2.84Å; A156-F159 PolarHBondContact O-N 2.95Å; A156-Q160 WeakPolarHBondContact O-CB 3.38Å; A156-Q160 VanDerWaalsContact O-CG 3.29Å; A156-Q160 WeakPolarHBondContact O-CG 3.31Å; A156-Q160 PolarHBondContact O-N 2.54Å |
| 157 | T | 89.8 | Confident | 84.4 | Confident | 54 Ų | 54 | 58.1 Ų | 58.1 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.2 | -31.5 | 177.7 | 59.2 | 0 | 0 | 0 | 0 | 112.4 | K153 L154 N161 | K153-T157 PolarHBondContact O-N 3.18Å; K153-T157 VanDerWaalsContact O-N 3.08Å; K153-T157 PolarHBondContact O-OG1 3.36Å; L154-T157 PolarHBondContact O-OG1 2.87Å; L154-T157 VanDerWaalsContact O-OG1 3.06Å; T157-N161 VanDerWaalsContact O-CB 3.26Å; T157-N161 WeakPolarHBondContact O-CB 3.42Å; T157-N161 PolarHBondContact O-N 2.88Å; T157-N161 PolarHBondContact O-ND2 3.41Å |
| 158 | M | 89.5 | Confident | 85 | Confident | 6 Ų | 6 | 58.4 Ų | 58.4 | 3% | 0.03 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.3 | -47.7 | 170.3 | -73.4 | -135.9 | -163 | 0 | 0 | 112.7 | L98 P105 L107 L154 M155 A156 N161 M162 | L98-M158 HydrophobicContact CD2-CB 4.18Å; L98-M158 HydrophobicContact CG-SD 4.4Å; P105-M158 HydrophobicContact CB-CE 3.52Å; P105-M158 HydrophobicContact CG-CE 3.71Å; P105-M158 WeakPolarHBondContact O-CE 3.47Å; L107-M158 HydrophobicContact CD1-CB 4.05Å; L107-M158 HydrophobicContact CD1-CE 4.26Å; L107-M158 HydrophobicContact CD1-CG 4.01Å; L107-M158 HydrophobicContact CD1-SD 3.71Å; L107-M158 HydrophobicContact CD2-CE 3.96Å; L107-M158 HydrophobicContact CD2-SD 4.47Å; L107-M158 HydrophobicContact CG-CE 3.76Å; L107-M158 HydrophobicContact CG-SD 3.71Å; L154-M158 WeakPolarHBondContact O-CG 3.47Å; L154-M158 PolarHBondContact O-N 2.93Å; L154-M158 VanDerWaalsContact O-N 3.08Å; M155-M158 PolarHBondContact O-N 3.41Å; A156-M158 VanDerWaalsContact C-N 3.31Å; A156-M158 PolarHBondContact O-N 2.84Å; M158-N161 PolarHBondContact O-N 3.42Å; M158-M162 PolarHBondContact O-N 2.86Å |
| 159 | F | 90.1 | Very high | 85.6 | Confident | 2 Ų | 2 | 64.4 Ų | 64.4 | 1% | 0.009 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.5 | -40.7 | 178.8 | -65.6 | -40.9 | 0 | 0 | 0 | 111.8 | L98 F109 L140 L142 F145 M155 A156 M162 F163 F182 | L98-F159 HydrophobicContact CD2-CD1 3.78Å; L98-F159 HydrophobicContact CD2-CE1 3.69Å; F109-F159 HydrophobicContact CE2-CZ 4.35Å; F109-F159 HydrophobicContact CZ-CE1 4.48Å; F109-F159 AromaticContact CZ-CZ 3.86Å; F109-F159 HydrophobicContact CZ-CZ 3.86Å; L140-F159 HydrophobicContact CD1-CB 4.45Å; L140-F159 VanDerWaalsContact CD2-C 3.5Å; L140-F159 HydrophobicContact CD2-CB 4.18Å; L140-F159 WeakPolarHBondContact CD2-O 3.36Å; L142-F159 HydrophobicContact CD2-CB 4.19Å; L142-F159 HydrophobicContact CD2-CD2 4.28Å; F145-F159 AromaticContact CE1-CD2 3.97Å; F145-F159 HydrophobicContact CE1-CD2 3.97Å; F145-F159 AromaticContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CE1-CE2 3.87Å; F145-F159 HydrophobicContact CZ-CD2 4.21Å; F145-F159 HydrophobicContact CZ-CE2 4Å; M155-F159 HydrophobicContact CG-CD2 3.93Å; M155-F159 HydrophobicContact CG-CE2 3.36Å; M155-F159 HydrophobicContact CG-CZ 3.91Å; M155-F159 WeakPolarHBondContact O-CD2 3.35Å; M155-F159 PolarHBondContact O-N 3.33Å; M155-F159 HydrophobicContact SD-CE2 3.92Å; M155-F159 HydrophobicContact SD-CZ 4.28Å; A156-F159 PolarHBondContact O-N 2.95Å; F159-M162 WeakPolarHBondContact O-CB 3.46Å; F159-M162 PolarHBondContact O-N 3.47Å; F159-F163 WeakPolarHBondContact O-CD2 3.48Å; F159-F182 HydrophobicContact CB-CE2 4.46Å; F159-F182 HydrophobicContact CD1-CD1 4.5Å; F159-F182 AromaticContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE2 4.26Å; F159-F182 AromaticContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD2-CD1 4.07Å; F159-F182 HydrophobicContact CD2-CE1 4.19Å; F159-F182 HydrophobicContact CD2-CG 4.24Å; F159-F182 HydrophobicContact CD2-CZ 4.48Å; F159-F182 HydrophobicContact CE1-CD1 4.2Å; F159-F182 AromaticContact CE1-CE1 3.47Å; F159-F182 HydrophobicContact CE1-CE1 3.47Å; F159-F182 VanDerWaalsContact CE1-CE1 3.47Å; F159-F182 AromaticContact CE1-CZ 3.79Å; F159-F182 HydrophobicContact CE1-CZ 3.79Å; F159-F182 AromaticContact CE2-CD1 3.72Å; F159-F182 HydrophobicContact CE2-CD1 3.72Å; F159-F182 AromaticContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CG 4.31Å; F159-F182 HydrophobicContact CG-CD1 4.45Å; F159-F182 HydrophobicContact CG-CE1 4.17Å; F159-F182 HydrophobicContact CG-CE2 4.24Å; F159-F182 HydrophobicContact CG-CZ 4.06Å; F159-F182 AromaticContact CZ-CD1 3.81Å; F159-F182 HydrophobicContact CZ-CD1 3.81Å; F159-F182 AromaticContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CZ 4.25Å |
| 160 | Q | 89.2 | Confident | 85.8 | Confident | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -57.4 | -49.4 | 172.4 | -73.4 | 169.2 | -12 | 0 | 0 | 111.9 | L140 L142 A156 M162 F163 | L140-Q160 HydrophobicContact CD2-CB 4.36Å; L140-Q160 HydrophobicContact CD2-CG 4Å; L142-Q160 HydrophobicContact CD1-CG 4.05Å; A156-Q160 WeakPolarHBondContact O-CB 3.38Å; A156-Q160 VanDerWaalsContact O-CG 3.29Å; A156-Q160 WeakPolarHBondContact O-CG 3.31Å; A156-Q160 PolarHBondContact O-N 2.54Å; Q160-M162 PolarHBondContact O-N 3.41Å; Q160-F163 PolarHBondContact O-N 3.29Å; Q160-F163 VanDerWaalsContact O-O 3.07Å |
| 161 | N | 89 | Confident | 85.6 | Confident | 66 Ų | 66 | 64 Ų | 64 | 35% | 0.353 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -67.1 | -20.1 | -180 | -90 | -86 | 0 | 0 | 0 | 114.2 | P28 H83 R100 T157 M158 F163 | P28-N161 WeakPolarHBondContact CB-O 3.5Å; P28-N161 WeakPolarHBondContact CG-O 3.36Å; H83-N161 PolarHBondContact CE1-O 2.85Å; R100-N161 PolarHBondContact NH1-OD1 3.33Å; R100-N161 PolarHBondContact NH2-OD1 2.97Å; T157-N161 VanDerWaalsContact O-CB 3.26Å; T157-N161 WeakPolarHBondContact O-CB 3.42Å; T157-N161 PolarHBondContact O-N 2.88Å; T157-N161 PolarHBondContact O-ND2 3.41Å; M158-N161 PolarHBondContact O-N 3.42Å; N161-F163 PolarHBondContact O-N 3.37Å |
| 162 | M | 86.7 | Confident | 85.4 | Confident | 5 Ų | 5 | 66.9 Ų | 66.9 | 3% | 0.025 | 35% | 0.35 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -14.4 | -179.8 | -163.2 | 179.7 | 62 | 0 | 0 | 112.8 | M53 H83 V85 L98 M158 F159 Q160 F182 | M53-M162 HydrophobicContact CE-CE 3.84Å; M53-M162 HydrophobicContact CE-CG 3.7Å; M53-M162 HydrophobicContact CE-SD 3.99Å; M53-M162 HydrophobicContact SD-CE 3.96Å; H83-M162 HydrophobicContact CB-CG 4.22Å; V85-M162 HydrophobicContact CG2-SD 4.19Å; L98-M162 HydrophobicContact CD1-SD 3.73Å; L98-M162 HydrophobicContact CD2-SD 4.29Å; M158-M162 PolarHBondContact O-N 2.86Å; F159-M162 WeakPolarHBondContact O-CB 3.46Å; F159-M162 PolarHBondContact O-N 3.47Å; Q160-M162 PolarHBondContact O-N 3.41Å; M162-F182 HydrophobicContact CE-CZ 4.48Å |
| 163 | F | 87.4 | Confident | 85 | Confident | 14 Ų | 14 | 68.8 Ų | 68.8 | 6% | 0.061 | 36% | 0.36 | C | S | . | . | S | Bend | trans | -121.1 | 158 | 176.4 | -62.8 | -75.5 | 0 | 0 | 0 | 110.8 | P28 M53 P138 L140 F159 Q160 N161 V180 | P28-F163 VanDerWaalsContact CG-C 3.45Å; P28-F163 WeakPolarHBondContact CG-O 3.32Å; M53-F163 HydrophobicContact CE-CD1 4.1Å; M53-F163 HydrophobicContact CE-CE1 3.47Å; M53-F163 VanDerWaalsContact CE-CE1 3.47Å; M53-F163 HydrophobicContact CE-CZ 3.75Å; M53-F163 HydrophobicContact SD-CE1 3.52Å; M53-F163 VanDerWaalsContact SD-CE1 3.52Å; M53-F163 HydrophobicContact SD-CZ 3.5Å; M53-F163 VanDerWaalsContact SD-CZ 3.5Å; P138-F163 HydrophobicContact CG-CD1 3.88Å; P138-F163 HydrophobicContact CG-CE1 3.42Å; P138-F163 VanDerWaalsContact CG-CE1 3.42Å; P138-F163 HydrophobicContact CG-CZ 4.2Å; L140-F163 HydrophobicContact CB-CD2 4.05Å; L140-F163 HydrophobicContact CD1-CD2 4.08Å; L140-F163 HydrophobicContact CD1-CE2 3.92Å; L140-F163 HydrophobicContact CD2-CD2 4.39Å; L140-F163 HydrophobicContact CG-CD2 4.41Å; F159-F163 WeakPolarHBondContact O-CD2 3.48Å; Q160-F163 PolarHBondContact O-N 3.29Å; Q160-F163 VanDerWaalsContact O-O 3.07Å; N161-F163 PolarHBondContact O-N 3.37Å; F163-V180 HydrophobicContact CZ-CB 4.45Å; F163-V180 HydrophobicContact CZ-CG2 4.12Å |
| 164 | P | 85.6 | Confident | 84.7 | Confident | 22 Ų | 22 | 64 Ų | 64 | 14% | 0.143 | 34% | 0.341 | C | S | . | . | trans | -59.9 | 140 | 173 | -17.6 | 29.5 | 0 | 0 | 0 | 110.8 | V27 Y56 H137 I166 | V27-P164 HydrophobicContact CG1-CG 4.28Å; Y56-P164 HydrophobicContact CD2-CG 4.06Å; Y56-P164 HydrophobicContact CE2-CG 3.73Å; H137-P164 HydrophobicContact CB-CG 4.35Å; P164-I166 WeakPolarHBondContact O-CG1 3.32Å | ||
| 165 | S | 81.4 | Confident | 84.3 | Confident | 111 Ų | 111 | 63.5 Ų | 63.5 | 78% | 0.776 | 34% | 0.341 | S | S | * | . | trans | -69 | 144.2 | 171.7 | 51.3 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 166 | I | 81.1 | Confident | 84.1 | Confident | 60 Ų | 60 | 64.7 Ų | 64.7 | 31% | 0.308 | 35% | 0.347 | S | S | . | . | trans | -119.4 | 102 | -165.3 | -57.9 | -172.6 | 0 | 0 | 0 | 109.5 | L139 P164 V168 V171 | L139-I166 HydrophobicContact CD2-CD1 3.36Å; P164-I166 WeakPolarHBondContact O-CG1 3.32Å; I166-V168 PolarHBondContact O-N 3.21Å; I166-V171 HydrophobicContact CG2-CB 4.4Å; I166-V171 HydrophobicContact CG2-CG1 4.24Å; I166-V171 HydrophobicContact CG2-CG2 3.69Å | ||
| 167 | N | 80.3 | Confident | 83.9 | Confident | 109 Ų | 109 | 66.2 Ų | 66.2 | 58% | 0.583 | 35% | 0.351 | S | S | * | . | trans | -80.5 | 97.1 | 179.6 | -67.7 | -43.8 | 0 | 0 | 0 | 110.3 | Q169 K170 V171 | N167-Q169 PolarHBondContact O-N 3.2Å; N167-K170 HydrophobicContact CB-CB 4.47Å; N167-K170 PolarHBondContact O-N 3.3Å; N167-V171 WeakPolarHBondContact O-CG2 3.37Å; N167-V171 PolarHBondContact O-N 2.8Å | ||
| 168 | V | 79.3 | Confident | 84 | Confident | 132 Ų | 132 | 63.7 Ų | 63.7 | 80% | 0.8 | 34% | 0.336 | S | S | * | . | G | 310 helix | trans | -41.8 | -46.3 | -172.7 | -175.3 | 0 | 0 | 0 | 0 | 113.6 | I166 K170 | I166-V168 PolarHBondContact O-N 3.21Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.38Å |
| 169 | Q | 78.6 | Confident | 84 | Confident | 186 Ų | 186 | 63.5 Ų | 63.5 | 87% | 0.869 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -66.4 | -21.3 | -178.7 | -65.9 | 175.4 | -20.1 | 0 | 0 | 115.7 | N167 | N167-Q169 PolarHBondContact O-N 3.2Š|
| 170 | K | 80.8 | Confident | 84.1 | Confident | 174 Ų | 174 | 63.4 Ų | 63.4 | 76% | 0.757 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -116.4 | 6.1 | -170.8 | -66 | -176.5 | 179.1 | 176.6 | 0 | 113.6 | N167 V168 | N167-K170 HydrophobicContact CB-CB 4.47Å; N167-K170 PolarHBondContact O-N 3.3Å; V168-K170 VanDerWaalsContact C-N 3.31Å; V168-K170 PolarHBondContact O-N 3.38Å |
| 171 | V | 80.3 | Confident | 84.3 | Confident | 30 Ų | 30 | 60 Ų | 60 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | trans | -99.2 | 130.8 | -171.9 | 168.6 | 0 | 0 | 0 | 0 | 110.5 | I166 N167 I176 Q254 | I166-V171 HydrophobicContact CG2-CB 4.4Å; I166-V171 HydrophobicContact CG2-CG1 4.24Å; I166-V171 HydrophobicContact CG2-CG2 3.69Å; N167-V171 WeakPolarHBondContact O-CG2 3.37Å; N167-V171 PolarHBondContact O-N 2.8Å; V171-I176 HydrophobicContact CG1-CD1 3.86Å; V171-I176 HydrophobicContact CG1-CG1 4.32Å; V171-Q254 PolarHBondContact O-NE2 3.4Å; V171-Q254 PolarHBondContact O-OE1 2.98Å | ||
| 172 | N | 80.6 | Confident | 84.4 | Confident | 105 Ų | 105 | 57.1 Ų | 57.1 | 56% | 0.561 | 30% | 0.304 | S | S | * | . | trans | -81.1 | 119.2 | 175.1 | -64.9 | -40.8 | 0 | 0 | 0 | 109.3 | N174 T175 | N172-N174 PolarHBondContact O-N 2.88Å; N172-T175 PolarHBondContact O-N 2.83Å; N172-T175 PolarHBondContact O-OG1 3.12Å | ||
| 173 | L | 79 | Confident | 84.7 | Confident | 41 Ų | 41 | 58.3 Ų | 58.3 | 22% | 0.215 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -56.7 | -26.9 | 179.6 | -60.7 | -174.1 | 0 | 0 | 0 | 112.4 | T175 I176 P253 Q254 Y256 | L173-T175 PolarHBondContact O-N 3.33Å; L173-I176 HydrophobicContact CD2-CD1 4.13Å; L173-I176 WeakPolarHBondContact O-CB 3.36Å; L173-I176 PolarHBondContact O-N 2.95Å; L173-P253 HydrophobicContact CD1-CG 4.2Å; L173-Q254 HydrophobicContact CD1-CB 3.99Å; L173-Q254 HydrophobicContact CG-CB 4.11Å; L173-Q254 HydrophobicContact CG-CG 4.39Å; L173-Y256 HydrophobicContact CB-CD2 4.02Å; L173-Y256 WeakPolarHBondContact O-CE2 3.15Å |
| 174 | N | 81.3 | Confident | 84.9 | Confident | 53 Ų | 53 | 58 Ų | 58 | 28% | 0.283 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | -63.7 | -16.4 | 177.6 | -69.6 | -54.9 | 0 | 0 | 0 | 115.9 | N172 K177 M255 Y256 S257 | N172-N174 PolarHBondContact O-N 2.88Å; N174-K177 WeakPolarHBondContact O-CE 3.45Å; N174-M255 PolarHBondContact ND2-O 2.98Å; N174-Y256 WeakPolarHBondContact OD1-CA 3.48Å; N174-S257 WeakPolarHBondContact OD1-CB 3.43Å; N174-S257 PolarHBondContact OD1-N 3.16Å; N174-S257 PolarHBondContact OD1-OG 3.47Å |
| 175 | T | 82.4 | Confident | 85.2 | Confident | 43 Ų | 43 | 60 Ų | 60 | 26% | 0.264 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -85.9 | -20.8 | 170.5 | 62.1 | 0 | 0 | 0 | 0 | 112.3 | H136 N172 L173 K177 | H136-T175 WeakPolarHBondContact CB-O 3.43Å; N172-T175 PolarHBondContact O-N 2.83Å; N172-T175 PolarHBondContact O-OG1 3.12Å; L173-T175 PolarHBondContact O-N 3.33Å; T175-K177 PolarHBondContact O-N 3.46Å; T175-K177 VanDerWaalsContact O-N 3.11Å |
| 176 | I | 84.6 | Confident | 85.3 | Confident | 27 Ų | 27 | 57.6 Ų | 57.6 | 14% | 0.138 | 30% | 0.303 | C | S | . | . | trans | -79.8 | 93.5 | -178.4 | -61.7 | 177.1 | 0 | 0 | 0 | 109.3 | L139 V171 L173 L198 Y256 | L139-I176 HydrophobicContact CD1-CD1 4.47Å; L139-I176 HydrophobicContact CD1-CG2 3.57Å; L139-I176 HydrophobicContact CD2-CD1 4.02Å; L139-I176 HydrophobicContact CD2-CG1 3.99Å; L139-I176 HydrophobicContact CD2-CG2 4.23Å; L139-I176 HydrophobicContact CG-CG2 3.83Å; V171-I176 HydrophobicContact CG1-CD1 3.86Å; V171-I176 HydrophobicContact CG1-CG1 4.32Å; L173-I176 HydrophobicContact CD2-CD1 4.13Å; L173-I176 WeakPolarHBondContact O-CB 3.36Å; L173-I176 PolarHBondContact O-N 2.95Å; I176-L198 HydrophobicContact CG2-CD1 4.18Å; I176-L198 HydrophobicContact CG2-CD2 4.39Å; I176-Y256 PolarHBondContact O-OH 3.31Å; I176-Y256 VanDerWaalsContact O-OH 3.12Å | ||
| 177 | K | 86.1 | Confident | 85.5 | Confident | 42 Ų | 42 | 59.2 Ų | 59.2 | 18% | 0.183 | 33% | 0.325 | C | S | . | . | trans | -120 | -13.9 | 179.1 | -63.2 | 175.9 | -175.7 | 161.7 | 0 | 114.2 | Q132 Q133 H136 N174 T175 S197 L198 | Q132-K177 WeakPolarHBondContact O-CD 3.45Å; Q132-K177 PolarHBondContact O-NZ 2.88Å; Q132-K177 VanDerWaalsContact O-NZ 3.13Å; Q133-K177 HydrophobicContact CB-CB 4.45Å; Q133-K177 HydrophobicContact CG-CB 4.3Å; H136-K177 PolarHBondContact CD2-NZ 3.13Å; H136-K177 PolarHBondContact NE2-NZ 3.43Å; N174-K177 WeakPolarHBondContact O-CE 3.45Å; T175-K177 PolarHBondContact O-N 3.46Å; T175-K177 VanDerWaalsContact O-N 3.11Å; K177-S197 VanDerWaalsContact O-CA 3.32Å; K177-S197 WeakPolarHBondContact O-CA 3.33Å; K177-S197 PolarHBondContact O-OG 2.91Å; K177-L198 PolarHBondContact O-N 3.31Å; K177-L198 VanDerWaalsContact O-N 3.07Å | ||
| 178 | R | 90.1 | Very high | 85.7 | Confident | 1 Ų | 1 | 56.2 Ų | 56.2 | 0% | 0.004 | 31% | 0.313 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 148.6 | -175.2 | -60.9 | -172.7 | -64.4 | 126.7 | -10 | 110.9 | V52 Q54 Q133 H136 P138 L139 H195 Y196 | V52-R178 PolarHBondContact O-NH1 2.85Å; Q54-R178 PolarHBondContact O-NH2 2.82Å; Q133-R178 HydrophobicContact CB-CG 4.03Å; Q133-R178 WeakPolarHBondContact O-CD 3.41Å; Q133-R178 PolarHBondContact O-NE 3.42Å; H136-R178 PolarHBondContact O-NH2 2.87Å; P138-R178 CarbonylContact C-O 3.6Å; P138-R178 VanDerWaalsContact CA-O 3.28Å; P138-R178 WeakPolarHBondContact CA-O 3.42Å; P138-R178 HydrophobicContact CB-CB 3.98Å; L139-R178 PolarHBondContact N-O 3.05Å; R178-H195 PolarHBondContact NH1-NE2 3.14Å; R178-Y196 CarbonylContact C-O 3.55Å; R178-Y196 WeakPolarHBondContact CA-O 3.36Å |
| 179 | C | 90.4 | Very high | 86 | Confident | 1 Ų | 1 | 53.6 Ų | 53.6 | 1% | 0.007 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.9 | 145.5 | 169.9 | 53.9 | 0 | 0 | 0 | 0 | 110.9 | L139 I141 H195 Y196 L198 | L139-C179 HydrophobicContact CB-CB 4.03Å; L139-C179 CarbonylContact O-C 3.57Å; L139-C179 WeakPolarHBondContact O-CA 3.49Å; I141-C179 HydrophobicContact CD1-CB 3.98Å; I141-C179 HydrophobicContact CG1-CB 4.43Å; C179-H195 WeakPolarHBondContact O-CA 3.33Å; C179-H195 PolarHBondContact O-CD2 3.42Å; C179-Y196 PolarHBondContact N-O 2.9Å; C179-Y196 PolarHBondContact O-N 3.31Å; C179-L198 HydrophobicContact CB-CD1 3.96Å |
| 180 | V | 92.1 | Very high | 86.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | 120.6 | 168.9 | 176.4 | 0 | 0 | 0 | 0 | 107 | V52 P138 L139 I141 F163 F182 F193 H195 | V52-V180 HydrophobicContact CG1-CG2 3.51Å; P138-V180 HydrophobicContact CB-CG2 3.96Å; P138-V180 HydrophobicContact CG-CG2 3.91Å; L139-V180 PolarHBondContact O-N 2.91Å; I141-V180 PolarHBondContact N-O 3.14Å; F163-V180 HydrophobicContact CZ-CB 4.45Å; F163-V180 HydrophobicContact CZ-CG2 4.12Å; V180-F182 HydrophobicContact CG1-CD2 3.88Å; V180-F182 HydrophobicContact CG1-CE2 3.45Å; V180-F182 VanDerWaalsContact CG1-CE2 3.45Å; V180-F182 HydrophobicContact CG1-CZ 4.19Å; V180-F193 HydrophobicContact CG1-CD2 3.88Å; V180-F193 HydrophobicContact CG1-CE2 3.44Å; V180-F193 VanDerWaalsContact CG1-CE2 3.44Å; V180-F193 HydrophobicContact CG1-CZ 4.29Å; V180-H195 HydrophobicContact CG2-CB 4.33Å |
| 181 | L | 92.6 | Very high | 87.2 | Confident | 39 Ų | 39 | 38.5 Ų | 38.5 | 20% | 0.204 | 22% | 0.224 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 124 | 172.3 | 176.5 | 64.1 | 0 | 0 | 0 | 108.6 | I141 R194 Y196 | I141-L181 HydrophobicContact CB-CD1 3.96Å; I141-L181 HydrophobicContact CG2-CD1 3.66Å; L181-R194 PolarHBondContact N-O 3.47Å; L181-R194 PolarHBondContact O-N 3.21Å; L181-Y196 HydrophobicContact CB-CE2 4.19Å; L181-Y196 HydrophobicContact CD2-CE2 4.2Å |
| 182 | F | 92.8 | Very high | 87.9 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.018 | 23% | 0.232 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 124.5 | 154.8 | -62.2 | -102.7 | 0 | 0 | 0 | 107.1 | L140 I141 L142 S143 F145 F159 M162 V180 I191 Q192 F193 | L140-F182 HydrophobicContact CD1-CD2 3.49Å; L140-F182 VanDerWaalsContact CD1-CD2 3.49Å; L140-F182 HydrophobicContact CD1-CE2 3.53Å; I141-F182 PolarHBondContact O-N 2.82Å; L142-F182 WeakPolarHBondContact CA-O 3.16Å; L142-F182 HydrophobicContact CD2-CB 3.85Å; L142-F182 HydrophobicContact CD2-CD2 3.99Å; L142-F182 HydrophobicContact CD2-CG 4.2Å; S143-F182 PolarHBondContact N-O 2.84Å; F145-F182 HydrophobicContact CE2-CB 3.61Å; F145-F182 HydrophobicContact CZ-CB 3.8Å; F159-F182 HydrophobicContact CB-CE2 4.46Å; F159-F182 HydrophobicContact CD1-CD1 4.5Å; F159-F182 AromaticContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE1 3.81Å; F159-F182 HydrophobicContact CD1-CE2 4.26Å; F159-F182 AromaticContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD1-CZ 3.67Å; F159-F182 HydrophobicContact CD2-CD1 4.07Å; F159-F182 HydrophobicContact CD2-CE1 4.19Å; F159-F182 HydrophobicContact CD2-CG 4.24Å; F159-F182 HydrophobicContact CD2-CZ 4.48Å; F159-F182 HydrophobicContact CE1-CD1 4.2Å; F159-F182 AromaticContact CE1-CE1 3.47Å; F159-F182 HydrophobicContact CE1-CE1 3.47Å; F159-F182 VanDerWaalsContact CE1-CE1 3.47Å; F159-F182 AromaticContact CE1-CZ 3.79Å; F159-F182 HydrophobicContact CE1-CZ 3.79Å; F159-F182 AromaticContact CE2-CD1 3.72Å; F159-F182 HydrophobicContact CE2-CD1 3.72Å; F159-F182 AromaticContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CE1 3.87Å; F159-F182 HydrophobicContact CE2-CG 4.31Å; F159-F182 HydrophobicContact CG-CD1 4.45Å; F159-F182 HydrophobicContact CG-CE1 4.17Å; F159-F182 HydrophobicContact CG-CE2 4.24Å; F159-F182 HydrophobicContact CG-CZ 4.06Å; F159-F182 AromaticContact CZ-CD1 3.81Å; F159-F182 HydrophobicContact CZ-CD1 3.81Å; F159-F182 AromaticContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CE1 3.51Å; F159-F182 HydrophobicContact CZ-CZ 4.25Å; M162-F182 HydrophobicContact CE-CZ 4.48Å; V180-F182 HydrophobicContact CG1-CD2 3.88Å; V180-F182 HydrophobicContact CG1-CE2 3.45Å; V180-F182 VanDerWaalsContact CG1-CE2 3.45Å; V180-F182 HydrophobicContact CG1-CZ 4.19Å; F182-I191 HydrophobicContact CB-CG2 4.3Å; F182-I191 HydrophobicContact CD1-CG2 3.92Å; F182-Q192 WeakPolarHBondContact CA-O 3.34Å; F182-F193 HydrophobicContact CD1-CB 4.49Å; F182-F193 HydrophobicContact CD1-CD2 4.15Å; F182-F193 AromaticContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CE2 4.36Å; F182-F193 HydrophobicContact CE2-CD2 4.16Å; F182-F193 HydrophobicContact CE2-CE2 4.4Å; F182-F193 AromaticContact CZ-CD2 3.63Å; F182-F193 HydrophobicContact CZ-CD2 3.63Å; F182-F193 AromaticContact CZ-CE2 3.95Å; F182-F193 HydrophobicContact CZ-CE2 3.95Å |
| 183 | S | 92.8 | Very high | 88.5 | Confident | 31 Ų | 31 | 35.8 Ų | 35.8 | 22% | 0.217 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.1 | 127.3 | 168.9 | -177.6 | 0 | 0 | 0 | 0 | 108.2 | S143 I191 Q192 | S143-S183 PolarHBondContact OG-OG 3.5Å; S183-I191 CarbonylContact O-C 3.47Å; S183-I191 WeakPolarHBondContact O-CA 3.3Å; S183-Q192 PolarHBondContact N-O 3.44Å; S183-Q192 PolarHBondContact O-N 2.73Å |
| 184 | F | 91.5 | Very high | 89.2 | Confident | 7 Ų | 7 | 37.5 Ų | 37.5 | 3% | 0.031 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 131.4 | 176.3 | 179.2 | -116.5 | 0 | 0 | 0 | 109.9 | S143 N144 F145 D148 V152 P186 I191 | S143-F184 PolarHBondContact O-N 3.46Å; N144-F184 HydrophobicContact CB-CB 4.43Å; N144-F184 VanDerWaalsContact CB-O 3.26Å; N144-F184 WeakPolarHBondContact CB-O 3.37Å; N144-F184 PolarHBondContact ND2-O 2.93Å; F145-F184 HydrophobicContact CD2-CB 4.05Å; F145-F184 HydrophobicContact CE2-CB 3.76Å; F145-F184 HydrophobicContact CZ-CB 4.01Å; D148-F184 HydrophobicContact CB-CE1 4.06Å; V152-F184 HydrophobicContact CG1-CD1 4.28Å; V152-F184 HydrophobicContact CG1-CE1 4.35Å; V152-F184 HydrophobicContact CG2-CE1 3.82Å; V152-F184 HydrophobicContact CG2-CE2 4.27Å; V152-F184 HydrophobicContact CG2-CZ 3.68Å; F184-P186 HydrophobicContact CE1-CB 4Å; F184-I191 HydrophobicContact CD2-CG1 3.82Å; F184-I191 HydrophobicContact CE2-CG1 4.47Å |
| 185 | D | 90.9 | Very high | 89.7 | Confident | 65 Ų | 65 | 35.1 Ų | 35.1 | 35% | 0.348 | 20% | 0.197 | S | C | . | . | trans | -101.7 | 113.5 | 166.3 | 171.2 | 26 | 0 | 0 | 0 | 109.2 | A187 S188 Q189 E190 | D185-A187 VanDerWaalsContact C-N 3.26Å; D185-A187 PolarHBondContact O-N 2.79Å; D185-A187 PolarHBondContact OD1-N 2.97Å; D185-S188 WeakPolarHBondContact OD2-CB 3.33Å; D185-S188 PolarHBondContact OD2-N 2.75Å; D185-S188 VanDerWaalsContact OD2-N 3.15Å; D185-S188 PolarHBondContact OD2-OG 3.35Å; D185-Q189 VanDerWaalsContact O-CA 3.28Å; D185-Q189 WeakPolarHBondContact O-CA 3.48Å; D185-Q189 PolarHBondContact O-N 3.42Å; D185-E190 PolarHBondContact N-O 3.11Å | ||
| 186 | P | 83.8 | Confident | 90.1 | Very high | 60 Ų | 60 | 34.8 Ų | 34.8 | 39% | 0.39 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.6 | -26.5 | -179.6 | 28.2 | -35.1 | 0 | 0 | 0 | 113 | F184 | F184-P186 HydrophobicContact CE1-CB 4Š|
| 187 | A | 85.8 | Confident | 90.4 | Very high | 94 Ų | 94 | 33.6 Ų | 33.6 | 78% | 0.777 | 19% | 0.185 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74 | -45 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | D185 | D185-A187 VanDerWaalsContact C-N 3.26Å; D185-A187 PolarHBondContact O-N 2.79Å; D185-A187 PolarHBondContact OD1-N 2.97Å |
| 188 | S | 85.2 | Confident | 90.4 | Very high | 46 Ų | 46 | 33 Ų | 33 | 32% | 0.322 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -12.9 | 177.9 | 65.6 | 0 | 0 | 0 | 0 | 114.7 | D185 E190 | D185-S188 WeakPolarHBondContact OD2-CB 3.33Å; D185-S188 PolarHBondContact OD2-N 2.75Å; D185-S188 VanDerWaalsContact OD2-N 3.15Å; D185-S188 PolarHBondContact OD2-OG 3.35Å; S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CB 3.06Å; S188-E190 PolarHBondContact OG-N 3.31Å |
| 189 | Q | 85.6 | Confident | 90.1 | Very high | 77 Ų | 77 | 36.7 Ų | 36.7 | 36% | 0.36 | 20% | 0.199 | S | C | . | . | trans | 56.2 | 19.9 | -166.4 | -55.4 | 179.5 | -1.2 | 0 | 0 | 113.4 | D185 | D185-Q189 VanDerWaalsContact O-CA 3.28Å; D185-Q189 WeakPolarHBondContact O-CA 3.48Å; D185-Q189 PolarHBondContact O-N 3.42Å | ||
| 190 | E | 90.9 | Very high | 89.6 | Confident | 42 Ų | 42 | 37.5 Ų | 37.5 | 20% | 0.196 | 21% | 0.205 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 140.6 | 171.4 | -68.3 | -165.4 | 164.5 | 0 | 0 | 111 | L112 K113 D185 S188 T279 | L112-E190 HydrophobicContact CD1-CG 3.97Å; L112-E190 WeakPolarHBondContact CD1-OE1 3.23Å; K113-E190 IonicContact NZ-OE1 3.94Å; D185-E190 PolarHBondContact N-O 3.11Å; S188-E190 PolarHBondContact O-N 3.2Å; S188-E190 WeakPolarHBondContact OG-CB 3.06Å; S188-E190 PolarHBondContact OG-N 3.31Å; E190-T279 HydrophobicContact CB-CG2 3.95Å; E190-T279 HydrophobicContact CG-CG2 3.83Å; E190-T279 WeakPolarHBondContact OE2-CG2 3.4Å |
| 191 | I | 92.6 | Very high | 89 | Confident | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 114.1 | 173.1 | -55 | 146.3 | 0 | 0 | 0 | 107.3 | F109 F145 M155 F182 S183 F184 L280 | F109-I191 HydrophobicContact CD1-CD1 4.05Å; F109-I191 HydrophobicContact CE1-CD1 3.58Å; F145-I191 HydrophobicContact CZ-CG2 4.02Å; M155-I191 HydrophobicContact CE-CD1 3.81Å; M155-I191 HydrophobicContact CE-CG1 4.3Å; M155-I191 HydrophobicContact SD-CD1 3.39Å; M155-I191 WeakPolarHBondContact SD-CD1 3.43Å; M155-I191 HydrophobicContact SD-CG1 4.36Å; F182-I191 HydrophobicContact CB-CG2 4.3Å; F182-I191 HydrophobicContact CD1-CG2 3.92Å; S183-I191 CarbonylContact O-C 3.47Å; S183-I191 WeakPolarHBondContact O-CA 3.3Å; F184-I191 HydrophobicContact CD2-CG1 3.82Å; F184-I191 HydrophobicContact CE2-CG1 4.47Å; I191-L280 HydrophobicContact CB-CB 4.24Å; I191-L280 PolarHBondContact N-O 3.5Å; I191-L280 PolarHBondContact O-N 2.84Å |
| 192 | Q | 94.1 | Very high | 88.2 | Confident | 75 Ų | 75 | 36.4 Ų | 36.4 | 35% | 0.35 | 20% | 0.2 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -85 | 116.5 | 172.9 | -62.4 | -169.1 | 35.9 | 0 | 0 | 109.8 | F182 S183 | F182-Q192 WeakPolarHBondContact CA-O 3.34Å; S183-Q192 PolarHBondContact N-O 3.44Å; S183-Q192 PolarHBondContact O-N 2.73Å |
| 193 | F | 94.5 | Very high | 87.3 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.018 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99 | 124.4 | 171.7 | 169.5 | -89.1 | 0 | 0 | 0 | 110 | M49 V52 V180 F182 P276 M278 | M49-F193 HydrophobicContact CE-CE2 4.29Å; M49-F193 HydrophobicContact CE-CZ 4.22Å; M49-F193 HydrophobicContact SD-CE1 4.36Å; M49-F193 HydrophobicContact SD-CE2 4.39Å; M49-F193 HydrophobicContact SD-CZ 3.73Å; V52-F193 HydrophobicContact CG1-CZ 4.21Å; V52-F193 HydrophobicContact CG2-CZ 4.43Å; V180-F193 HydrophobicContact CG1-CD2 3.88Å; V180-F193 HydrophobicContact CG1-CE2 3.44Å; V180-F193 VanDerWaalsContact CG1-CE2 3.44Å; V180-F193 HydrophobicContact CG1-CZ 4.29Å; F182-F193 HydrophobicContact CD1-CB 4.49Å; F182-F193 HydrophobicContact CD1-CD2 4.15Å; F182-F193 AromaticContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CD2 3.62Å; F182-F193 HydrophobicContact CE1-CE2 4.36Å; F182-F193 HydrophobicContact CE2-CD2 4.16Å; F182-F193 HydrophobicContact CE2-CE2 4.4Å; F182-F193 AromaticContact CZ-CD2 3.63Å; F182-F193 HydrophobicContact CZ-CD2 3.63Å; F182-F193 AromaticContact CZ-CE2 3.95Å; F182-F193 HydrophobicContact CZ-CE2 3.95Å; F193-P276 HydrophobicContact CE1-CG 4.25Å; F193-M278 HydrophobicContact CB-CB 4.22Å; F193-M278 HydrophobicContact CD1-CB 4.18Å; F193-M278 HydrophobicContact CD1-CG 4.41Å; F193-M278 PolarHBondContact N-O 3.24Å; F193-M278 PolarHBondContact O-N 2.78Å; F193-M278 VanDerWaalsContact O-N 3.08Å |
| 194 | R | 93.1 | Very high | 86 | Confident | 77 Ų | 77 | 40.3 Ų | 40.3 | 29% | 0.291 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 151.3 | 177.1 | -56.6 | -173.9 | -174.6 | -140.1 | 10.6 | 110.1 | L181 Y196 E273 | L181-R194 PolarHBondContact N-O 3.47Å; L181-R194 PolarHBondContact O-N 3.21Å; R194-Y196 HydrophobicContact CB-CD2 4.47Å; R194-Y196 HydrophobicContact CB-CE2 3.67Å; R194-Y196 WeakPolarHBondContact CD-OH 3.41Å; R194-E273 IonicContact NH1-OE1 2.65Å |
| 195 | H | 91.9 | Very high | 84.8 | Confident | 3 Ų | 3 | 41.9 Ų | 41.9 | 1% | 0.014 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 122 | 179.4 | 162.9 | -103.3 | 0 | 0 | 0 | 111.3 | V52 R178 C179 V180 I274 G275 | V52-H195 HydrophobicContact CG1-CB 4.44Å; V52-H195 HydrophobicContact CG2-CB 4.29Å; R178-H195 PolarHBondContact NH1-NE2 3.14Å; C179-H195 WeakPolarHBondContact O-CA 3.33Å; C179-H195 PolarHBondContact O-CD2 3.42Å; V180-H195 HydrophobicContact CG2-CB 4.33Å; H195-I274 PolarHBondContact O-N 2.71Å; H195-G275 WeakPolarHBondContact ND1-CA 3.2Å; H195-G275 PolarHBondContact ND1-N 3.08Å; H195-G275 VanDerWaalsContact ND1-N 3.15Å; H195-G275 PolarHBondContact O-N 2.78Å |
| 196 | Y | 91.6 | Very high | 83.6 | Confident | 35 Ų | 35 | 41 Ų | 41 | 14% | 0.137 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 154.3 | -172.9 | -54.3 | -92.8 | 0 | 0 | 0 | 111.1 | R178 C179 L181 R194 L271 T272 E273 | R178-Y196 CarbonylContact C-O 3.55Å; R178-Y196 WeakPolarHBondContact CA-O 3.36Å; C179-Y196 PolarHBondContact N-O 2.9Å; C179-Y196 PolarHBondContact O-N 3.31Å; L181-Y196 HydrophobicContact CB-CE2 4.19Å; L181-Y196 HydrophobicContact CD2-CE2 4.2Å; R194-Y196 HydrophobicContact CB-CD2 4.47Å; R194-Y196 HydrophobicContact CB-CE2 3.67Å; R194-Y196 WeakPolarHBondContact CD-OH 3.41Å; Y196-L271 HydrophobicContact CD1-CB 4.06Å; Y196-L271 HydrophobicContact CG-CB 4.33Å; Y196-L271 HydrophobicContact CG-CD1 4.38Å; Y196-T272 CarbonylContact C-O 3.55Å; Y196-T272 WeakPolarHBondContact CA-O 3.44Å; Y196-E273 HydrophobicContact CD1-CB 4.37Å; Y196-E273 HydrophobicContact CD1-CG 3.5Å; Y196-E273 VanDerWaalsContact CD1-CG 3.5Å; Y196-E273 HydrophobicContact CE1-CG 3.3Å |
| 197 | S | 89.8 | Confident | 82.6 | Confident | 3 Ų | 3 | 43.5 Ų | 43.5 | 2% | 0.021 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.1 | 140.1 | 156.3 | -163.3 | 0 | 0 | 0 | 0 | 110 | Q133 K177 L271 T272 | Q133-S197 PolarHBondContact NE2-OG 2.82Å; K177-S197 VanDerWaalsContact O-CA 3.32Å; K177-S197 WeakPolarHBondContact O-CA 3.33Å; K177-S197 PolarHBondContact O-OG 2.91Å; S197-L271 WeakPolarHBondContact O-CA 3.4Å; S197-T272 PolarHBondContact N-O 2.82Å; S197-T272 PolarHBondContact O-N 2.84Å; S197-T272 PolarHBondContact O-OG1 2.96Å |
| 198 | L | 86.3 | Confident | 81.5 | Confident | 28 Ų | 28 | 39.5 Ų | 39.5 | 15% | 0.147 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.9 | 136 | 168.5 | -52.6 | 91.1 | 0 | 0 | 0 | 109.3 | I176 K177 C179 V269 L271 | I176-L198 HydrophobicContact CG2-CD1 4.18Å; I176-L198 HydrophobicContact CG2-CD2 4.39Å; K177-L198 PolarHBondContact O-N 3.31Å; K177-L198 VanDerWaalsContact O-N 3.07Å; C179-L198 HydrophobicContact CB-CD1 3.96Å; L198-V269 HydrophobicContact CB-CG1 4.35Å; L198-V269 HydrophobicContact CD2-CG1 3.95Å; L198-L271 HydrophobicContact CB-CD2 4.39Å; L198-L271 HydrophobicContact CD2-CD2 4.42Å; L198-L271 HydrophobicContact CG-CD2 3.91Å |
| 199 | K | 83.7 | Confident | 80.7 | Confident | 79 Ų | 79 | 40.3 Ų | 40.3 | 34% | 0.343 | 22% | 0.215 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 101.1 | 169.6 | -177.8 | -155.9 | 176.8 | -160.6 | 0 | 108 | V201 R270 | K199-V201 HydrophobicContact CD-CG2 3.74Å; K199-V201 HydrophobicContact CG-CG2 4.05Å; K199-V201 PolarHBondContact O-N 2.77Å; K199-R270 PolarHBondContact N-O 3.01Å; K199-R270 PolarHBondContact O-N 2.87Å |
| 200 | V | 80.6 | Confident | 79.8 | Confident | 19 Ų | 19 | 39.3 Ų | 39.3 | 12% | 0.115 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 125.5 | 168.3 | -173.5 | 0 | 0 | 0 | 0 | 108.7 | L252 Y256 N261 | V200-L252 HydrophobicContact CG1-CD1 3.88Å; V200-L252 HydrophobicContact CG1-CD2 3.83Å; V200-L252 HydrophobicContact CG1-CG 4.39Å; V200-Y256 HydrophobicContact CB-CD1 3.73Å; V200-Y256 HydrophobicContact CB-CE1 3.93Å; V200-Y256 HydrophobicContact CB-CG 4.11Å; V200-Y256 HydrophobicContact CG2-CD1 3.83Å; V200-Y256 HydrophobicContact CG2-CD2 3.89Å; V200-Y256 HydrophobicContact CG2-CE1 3.81Å; V200-Y256 HydrophobicContact CG2-CE2 3.87Å; V200-Y256 HydrophobicContact CG2-CG 3.87Å; V200-N261 VanDerWaalsContact CG1-ND2 3.26Å; V200-N261 WeakPolarHBondContact CG1-ND2 3.26Å; V200-N261 PolarHBondContact O-ND2 3.42Å |
| 201 | V | 78.9 | Confident | 78.6 | Confident | 4 Ų | 4 | 41.2 Ų | 41.2 | 2% | 0.024 | 22% | 0.217 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 125 | 178.5 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | K199 S267 A268 R270 | K199-V201 HydrophobicContact CD-CG2 3.74Å; K199-V201 HydrophobicContact CG-CG2 4.05Å; K199-V201 PolarHBondContact O-N 2.77Å; V201-S267 CarbonylContact O-C 3.56Å; V201-S267 VanDerWaalsContact O-CA 3.31Å; V201-S267 WeakPolarHBondContact O-CA 3.1Å; V201-A268 PolarHBondContact N-O 2.92Å; V201-A268 PolarHBondContact O-N 2.87Å; V201-R270 HydrophobicContact CG2-CB 4.48Å; V201-R270 HydrophobicContact CG2-CG 4.12Å |
| 202 | P | 75.3 | Confident | 77.3 | Confident | 12 Ų | 12 | 44.6 Ų | 44.6 | 8% | 0.078 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 140.6 | -179.9 | 29.6 | -32.8 | 0 | 0 | 0 | 110.8 | M205 G260 N261 | P202-M205 HydrophobicContact CB-CE 3.52Å; P202-M205 HydrophobicContact CG-CE 3.32Å; P202-G260 WeakPolarHBondContact CB-O 3.42Å; P202-N261 WeakPolarHBondContact CD-OD1 3.46Å |
| 203 | V | 74.2 | Confident | 76 | Confident | 36 Ų | 36 | 44.3 Ų | 44.3 | 22% | 0.218 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -101.6 | 160.7 | 178.1 | 176.8 | 0 | 0 | 0 | 0 | 108.5 | M205 I249 Q266 A268 | V203-M205 VanDerWaalsContact C-N 3.34Å; V203-M205 PolarHBondContact O-N 3.36Å; V203-I249 HydrophobicContact CG1-CD1 4.41Å; V203-Q266 HydrophobicContact CB-CB 4.46Å; V203-Q266 PolarHBondContact N-O 2.81Å; V203-A268 HydrophobicContact CG2-CB 3.72Å |
| 204 | G | 66.3 | Low | 74.7 | Confident | 81 Ų | 81 | 48.9 Ų | 48.9 | 84% | 0.835 | 26% | 0.256 | S | S | * | . | S | Bend | trans | 78.4 | 6.5 | -179.7 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 205 | M | 66.3 | Low | 73.2 | Confident | 40 Ų | 40 | 52.7 Ų | 52.7 | 20% | 0.197 | 28% | 0.277 | C | S | . | . | trans | -110.6 | 132.6 | 170.5 | -74.5 | -170 | -76.5 | 0 | 0 | 111.8 | P202 V203 I209 M213 | P202-M205 HydrophobicContact CB-CE 3.52Å; P202-M205 HydrophobicContact CG-CE 3.32Å; V203-M205 VanDerWaalsContact C-N 3.34Å; V203-M205 PolarHBondContact O-N 3.36Å; M205-I209 HydrophobicContact CB-CG2 4.49Å; M205-I209 HydrophobicContact CG-CG2 4.48Å; M205-I209 HydrophobicContact SD-CG2 4Å; M205-M213 HydrophobicContact CE-SD 4.24Å; M205-M213 HydrophobicContact SD-SD 3.8Å | ||
| 206 | S | 65.4 | Low | 71.7 | Confident | 47 Ų | 47 | 61.5 Ų | 61.5 | 33% | 0.329 | 32% | 0.315 | S | S | . | . | trans | -62.4 | 154.9 | -179.3 | 80.7 | 0 | 0 | 0 | 0 | 112.7 | G208 I209 K210 L230 | S206-G208 PolarHBondContact O-N 2.87Å; S206-I209 PolarHBondContact O-N 3.26Å; S206-I209 VanDerWaalsContact O-N 3.16Å; S206-I209 WeakPolarHBondContact OG-CG1 3.23Å; S206-I209 PolarHBondContact OG-N 2.95Å; S206-K210 VanDerWaalsContact O-CB 3.29Å; S206-K210 WeakPolarHBondContact O-CB 3.39Å; S206-K210 PolarHBondContact O-N 3.25Å; S206-L230 WeakPolarHBondContact OG-CD2 3.46Å | ||
| 207 | R | 63 | Low | 70.4 | Confident | 112 Ų | 112 | 66.3 Ų | 66.3 | 42% | 0.423 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -28.1 | -179 | -62 | -179.1 | -176.4 | 170 | 5.2 | 112.8 | K211 L236 E242 | R207-K211 PolarHBondContact O-N 2.86Å; R207-L236 HydrophobicContact CB-CD1 4.48Å; R207-E242 IonicContact CZ-OE2 3.47Å; R207-E242 VanDerWaalsContact CZ-OE2 3.22Å; R207-E242 IonicContact NE-OE1 2.78Å; R207-E242 IonicContact NE-OE2 2.71Å; R207-E242 PolarHBondContact NE-OE2 2.88Å; R207-E242 IonicContact NH2-OE2 3.16Å; R207-E242 PolarHBondContact NH2-OE2 3.38Å |
| 208 | G | 62.6 | Low | 69.3 | Low | 9 Ų | 9 | 68.4 Ų | 68.4 | 9% | 0.093 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -54.7 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S206 K210 K211 L212 | S206-G208 PolarHBondContact O-N 2.87Å; G208-K210 VanDerWaalsContact C-N 3.3Å; G208-K210 PolarHBondContact O-N 3.36Å; G208-K211 WeakPolarHBondContact O-CA 3.16Å; G208-K211 WeakPolarHBondContact O-CB 3.42Å; G208-K211 PolarHBondContact O-N 3.44Å; G208-L212 PolarHBondContact O-N 2.85Å |
| 209 | I | 68.8 | Low | 68.4 | Low | 64 Ų | 64 | 73.4 Ų | 73.4 | 33% | 0.328 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -57.4 | -44.5 | 177.8 | -62.8 | 166.9 | 0 | 0 | 0 | 110.6 | M205 S206 K211 L212 M213 L230 | M205-I209 HydrophobicContact CB-CG2 4.49Å; M205-I209 HydrophobicContact CG-CG2 4.48Å; M205-I209 HydrophobicContact SD-CG2 4Å; S206-I209 PolarHBondContact O-N 3.26Å; S206-I209 VanDerWaalsContact O-N 3.16Å; S206-I209 WeakPolarHBondContact OG-CG1 3.23Å; S206-I209 PolarHBondContact OG-N 2.95Å; I209-K211 PolarHBondContact O-N 3.15Å; I209-L212 PolarHBondContact O-N 3.28Å; I209-M213 HydrophobicContact CG2-CG 4.35Å; I209-M213 HydrophobicContact CG2-SD 4.22Å; I209-M213 WeakPolarHBondContact O-CG 3.44Å; I209-M213 PolarHBondContact O-N 3.21Å; I209-L230 HydrophobicContact CD1-CD2 4.07Å; I209-L230 HydrophobicContact CG1-CD2 3.67Å |
| 210 | K | 66.6 | Low | 67.7 | Low | 55 Ų | 55 | 73.4 Ų | 73.4 | 24% | 0.239 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -60.7 | -16.1 | 177.1 | -162.6 | 171.6 | -171.7 | 167.8 | 0 | 113.7 | S206 G208 Q214 E242 | S206-K210 VanDerWaalsContact O-CB 3.29Å; S206-K210 WeakPolarHBondContact O-CB 3.39Å; S206-K210 PolarHBondContact O-N 3.25Å; G208-K210 VanDerWaalsContact C-N 3.3Å; G208-K210 PolarHBondContact O-N 3.36Å; K210-Q214 PolarHBondContact O-NE2 3.47Å; K210-E242 IonicContact NZ-OE1 3.97Å; K210-E242 PolarHBondContact NZ-OE1 3.45Å |
| 211 | K | 64.6 | Low | 67.2 | Low | 83 Ų | 83 | 77.7 Ų | 77.7 | 36% | 0.361 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -98.9 | -38.6 | 169.3 | -74.8 | -174.1 | 172.6 | -169.9 | 0 | 113 | R207 G208 I209 M213 Q214 L236 | R207-K211 PolarHBondContact O-N 2.86Å; G208-K211 WeakPolarHBondContact O-CA 3.16Å; G208-K211 WeakPolarHBondContact O-CB 3.42Å; G208-K211 PolarHBondContact O-N 3.44Å; I209-K211 PolarHBondContact O-N 3.15Å; K211-M213 PolarHBondContact O-N 3.17Å; K211-Q214 VanDerWaalsContact O-CB 3.29Å; K211-Q214 WeakPolarHBondContact O-CB 3.32Å; K211-Q214 PolarHBondContact O-N 3.39Å; K211-L236 HydrophobicContact CD-CD1 4.2Å |
| 212 | L | 66.6 | Low | 66.8 | Low | 70 Ų | 70 | 86 Ų | 86 | 37% | 0.366 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.4 | -32.1 | 174.6 | -168.4 | 69.6 | 0 | 0 | 0 | 112.4 | G208 I209 Q214 F217 L229 | G208-L212 PolarHBondContact O-N 2.85Å; I209-L212 PolarHBondContact O-N 3.28Å; L212-Q214 PolarHBondContact O-N 3.4Å; L212-F217 HydrophobicContact CD1-CD1 4Å; L212-F217 HydrophobicContact CD1-CE1 4.13Å; L212-F217 VanDerWaalsContact O-CE1 3.25Å; L212-F217 WeakPolarHBondContact O-CE1 3.39Å; L212-L229 HydrophobicContact CD1-CD2 4.22Å |
| 213 | M | 65.3 | Low | 66.4 | Low | 70 Ų | 70 | 88.3 Ų | 88.3 | 35% | 0.345 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -5 | 174.5 | -63.9 | -177.5 | 94.3 | 0 | 0 | 114.6 | M205 I209 K211 R259 | M205-M213 HydrophobicContact CE-SD 4.24Å; M205-M213 HydrophobicContact SD-SD 3.8Å; I209-M213 HydrophobicContact CG2-CG 4.35Å; I209-M213 HydrophobicContact CG2-SD 4.22Å; I209-M213 WeakPolarHBondContact O-CG 3.44Å; I209-M213 PolarHBondContact O-N 3.21Å; K211-M213 PolarHBondContact O-N 3.17Å; M213-R259 HydrophobicContact CB-CB 4.49Å; M213-R259 HydrophobicContact CE-CB 4.4Å; M213-R259 WeakPolarHBondContact O-CD 3.44Å; M213-R259 PolarHBondContact O-NH1 3.24Å |
| 214 | Q | 68.3 | Low | 66.3 | Low | 100 Ų | 100 | 96 Ų | 96 | 47% | 0.467 | 49% | 0.488 | S | S | . | . | S | Bend | trans | -86.6 | 151.5 | 179.7 | -56.6 | -178.4 | 28 | 0 | 0 | 111 | K210 K211 L212 K216 | K210-Q214 PolarHBondContact O-NE2 3.47Å; K211-Q214 VanDerWaalsContact O-CB 3.29Å; K211-Q214 WeakPolarHBondContact O-CB 3.32Å; K211-Q214 PolarHBondContact O-N 3.39Å; L212-Q214 PolarHBondContact O-N 3.4Å; Q214-K216 PolarHBondContact O-N 3.22Å; Q214-K216 VanDerWaalsContact O-N 3.16Å |
| 215 | E | 60.4 | Low | 66.6 | Low | 157 Ų | 157 | 96.3 Ų | 96.3 | 73% | 0.734 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -64.4 | -21.2 | -179 | -59.2 | -177.4 | 149.1 | 0 | 0 | 113.4 | F217 R259 | E215-F217 PolarHBondContact O-N 3.02Å; E215-R259 VanDerWaalsContact CG-NH2 3.27Å; E215-R259 IonicContact OE1-CZ 3.19Å; E215-R259 IonicContact OE1-NH2 3.71Å; E215-R259 PolarHBondContact OE1-NH2 3.07Å |
| 216 | K | 62.2 | Low | 66.7 | Low | 187 Ų | 187 | 99.9 Ų | 99.9 | 81% | 0.813 | 49% | 0.49 | S | S | * | . | S | Bend | trans | -97.3 | 82.9 | 171.8 | -63.9 | -170.6 | 176.6 | -169.8 | 0 | 108.6 | Q214 | Q214-K216 PolarHBondContact O-N 3.22Å; Q214-K216 VanDerWaalsContact O-N 3.16Å |
| 217 | F | 63 | Low | 66.8 | Low | 137 Ų | 137 | 101.5 Ų | 101.5 | 60% | 0.601 | 50% | 0.498 | S | S | * | . | trans | -51.9 | 130.8 | 166.6 | -69.9 | -82.2 | 0 | 0 | 0 | 109.6 | L212 E215 | L212-F217 HydrophobicContact CD1-CD1 4Å; L212-F217 HydrophobicContact CD1-CE1 4.13Å; L212-F217 VanDerWaalsContact O-CE1 3.25Å; L212-F217 WeakPolarHBondContact O-CE1 3.39Å; E215-F217 PolarHBondContact O-N 3.02Å | ||
| 218 | P | 66.9 | Low | 67.1 | Low | 47 Ų | 47 | 98.1 Ų | 98.1 | 31% | 0.305 | 49% | 0.487 | S | S | . | . | trans | -59.5 | 153.3 | 167.9 | -21.8 | 33.9 | 0 | 0 | 0 | 110.9 | M220 | P218-M220 PolarHBondContact O-N 2.96Š| ||
| 219 | N | 67.9 | Low | 67.3 | Low | 133 Ų | 133 | 98.6 Ų | 98.6 | 71% | 0.711 | 49% | 0.487 | S | S | * | . | trans | -65.6 | 104 | 174.8 | -69.9 | 12 | 0 | 0 | 0 | 109.6 | S221 | N219-S221 PolarHBondContact O-N 3.33Š| ||
| 220 | M | 68.2 | Low | 67.1 | Low | 78 Ų | 78 | 99.1 Ų | 99.1 | 38% | 0.384 | 49% | 0.49 | S | S | . | . | trans | -68.7 | -16.8 | -177.5 | -67.4 | -60 | -61.6 | 0 | 0 | 113.7 | P218 K222 F223 L229 | P218-M220 PolarHBondContact O-N 2.96Å; M220-K222 PolarHBondContact O-N 3.21Å; M220-F223 PolarHBondContact O-N 3.37Å; M220-F223 VanDerWaalsContact O-N 3.08Å; M220-L229 HydrophobicContact CE-CD2 3.99Å; M220-L229 HydrophobicContact SD-CD1 4.42Å; M220-L229 HydrophobicContact SD-CD2 3.93Å | ||
| 221 | S | 70.8 | Confident | 67.1 | Low | 109 Ų | 109 | 102.2 Ų | 102.2 | 76% | 0.762 | 51% | 0.513 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.3 | 25.4 | -177.6 | 72.4 | 0 | 0 | 0 | 0 | 115.5 | N219 | N219-S221 PolarHBondContact O-N 3.33Š|
| 222 | K | 69.4 | Low | 66.8 | Low | 179 Ų | 179 | 103.7 Ų | 103.7 | 78% | 0.778 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -138.2 | 4.6 | 177.1 | -68.5 | -163.3 | 173.6 | -162.8 | 0 | 112.5 | M220 | M220-K222 PolarHBondContact O-N 3.21Š|
| 223 | F | 68.6 | Low | 66.1 | Low | 60 Ų | 60 | 101.8 Ų | 101.8 | 26% | 0.263 | 52% | 0.517 | S | S | . | . | trans | -123.1 | 129.1 | 174.9 | -58 | -78.4 | 0 | 0 | 0 | 107.2 | M220 D225 E228 L229 K232 | M220-F223 PolarHBondContact O-N 3.37Å; M220-F223 VanDerWaalsContact O-N 3.08Å; F223-D225 VanDerWaalsContact C-N 3.34Å; F223-E228 WeakPolarHBondContact CA-OE2 3.46Å; F223-E228 HydrophobicContact CD1-CB 4.48Å; F223-E228 HydrophobicContact CD1-CG 4.13Å; F223-L229 HydrophobicContact CD2-CD1 4.09Å; F223-L229 HydrophobicContact CE1-CD1 4.5Å; F223-L229 HydrophobicContact CE2-CD1 3.85Å; F223-L229 HydrophobicContact CZ-CD1 4.06Å; F223-K232 HydrophobicContact CE1-CB 4.48Å | ||
| 224 | E | 71.9 | Confident | 65.2 | Low | 197 Ų | 197 | 102.3 Ų | 102.3 | 92% | 0.921 | 53% | 0.532 | S | S | * | . | S | Bend | trans | -81.1 | -23.8 | 178.2 | -67.5 | 177.3 | 175.4 | 0 | 0 | 110.7 | E228 | E224-E228 PolarHBondContact N-OE2 3.18Š|
| 225 | D | 71.4 | Confident | 64.1 | Low | 89 Ų | 89 | 105 Ų | 105 | 48% | 0.476 | 55% | 0.55 | S | S | . | . | trans | -141.9 | 154 | -173.2 | -159.2 | 5.3 | 0 | 0 | 0 | 113.8 | F223 T227 E228 L229 | F223-D225 VanDerWaalsContact C-N 3.34Å; D225-T227 VanDerWaalsContact C-N 3.27Å; D225-T227 PolarHBondContact O-N 3.24Å; D225-T227 WeakPolarHBondContact OD2-CB 3.16Å; D225-T227 PolarHBondContact OD2-OG1 3.42Å; D225-E228 HydrophobicContact CB-CB 4.24Å; D225-E228 VanDerWaalsContact O-CB 3.31Å; D225-E228 WeakPolarHBondContact O-CB 3.34Å; D225-E228 PolarHBondContact O-N 2.95Å; D225-E228 VanDerWaalsContact O-N 3.12Å; D225-L229 PolarHBondContact O-N 2.96Å | ||
| 226 | I | 68.4 | Low | 63.5 | Low | 115 Ų | 115 | 100 Ų | 100 | 59% | 0.59 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.8 | -36.4 | 174.7 | -58.5 | 176.6 | 0 | 0 | 0 | 109.7 | E228 L229 L230 | I226-E228 PolarHBondContact O-N 3.48Å; I226-L229 PolarHBondContact O-N 3.35Å; I226-L229 VanDerWaalsContact O-N 3.15Å; I226-L230 HydrophobicContact CG2-CD1 4.39Å; I226-L230 WeakPolarHBondContact O-CG 3.22Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-L230 VanDerWaalsContact O-N 3.12Å |
| 227 | T | 67.4 | Low | 62.4 | Low | 80 Ų | 80 | 95.9 Ų | 95.9 | 49% | 0.491 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -54.7 | -40.4 | 171.1 | -30.8 | 0 | 0 | 0 | 0 | 111 | D225 L230 V231 | D225-T227 VanDerWaalsContact C-N 3.27Å; D225-T227 PolarHBondContact O-N 3.24Å; D225-T227 WeakPolarHBondContact OD2-CB 3.16Å; D225-T227 PolarHBondContact OD2-OG1 3.42Å; T227-L230 PolarHBondContact O-N 3.43Å; T227-V231 WeakPolarHBondContact O-CG2 3.26Å; T227-V231 PolarHBondContact O-N 3.29Å |
| 228 | E | 69.6 | Low | 61.6 | Low | 42 Ų | 42 | 97.7 Ų | 97.7 | 20% | 0.196 | 53% | 0.533 | C | S | . | . | H | α-helix | trans | -68.7 | -39.7 | 177.4 | -162 | -174.7 | -161.8 | 0 | 0 | 112.1 | F223 E224 D225 I226 L230 V231 K232 | F223-E228 WeakPolarHBondContact CA-OE2 3.46Å; F223-E228 HydrophobicContact CD1-CB 4.48Å; F223-E228 HydrophobicContact CD1-CG 4.13Å; E224-E228 PolarHBondContact N-OE2 3.18Å; D225-E228 HydrophobicContact CB-CB 4.24Å; D225-E228 VanDerWaalsContact O-CB 3.31Å; D225-E228 WeakPolarHBondContact O-CB 3.34Å; D225-E228 PolarHBondContact O-N 2.95Å; D225-E228 VanDerWaalsContact O-N 3.12Å; I226-E228 PolarHBondContact O-N 3.48Å; E228-L230 PolarHBondContact O-N 2.94Å; E228-V231 PolarHBondContact O-N 3.31Å; E228-K232 HydrophobicContact CG-CB 3.88Å; E228-K232 HydrophobicContact CG-CD 3.58Å; E228-K232 HydrophobicContact CG-CG 4.41Å; E228-K232 VanDerWaalsContact O-CA 3.31Å; E228-K232 WeakPolarHBondContact O-CA 3.48Å; E228-K232 WeakPolarHBondContact O-CB 3.07Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 WeakPolarHBondContact OE1-CD 3.32Å; E228-K232 WeakPolarHBondContact OE1-CE 3.48Å; E228-K232 IonicContact OE1-NZ 2.62Å; E228-K232 PolarHBondContact OE1-NZ 3.21Å |
| 229 | L | 67.7 | Low | 60.3 | Low | 18 Ų | 18 | 100.7 Ų | 100.7 | 9% | 0.094 | 56% | 0.555 | C | S | . | * | H | α-helix | trans | -61.5 | -32.8 | 173.1 | -178.3 | 69.9 | 0 | 0 | 0 | 112.5 | L212 M220 F223 D225 I226 | L212-L229 HydrophobicContact CD1-CD2 4.22Å; M220-L229 HydrophobicContact CE-CD2 3.99Å; M220-L229 HydrophobicContact SD-CD1 4.42Å; M220-L229 HydrophobicContact SD-CD2 3.93Å; F223-L229 HydrophobicContact CD2-CD1 4.09Å; F223-L229 HydrophobicContact CE1-CD1 4.5Å; F223-L229 HydrophobicContact CE2-CD1 3.85Å; F223-L229 HydrophobicContact CZ-CD1 4.06Å; D225-L229 PolarHBondContact O-N 2.96Å; I226-L229 PolarHBondContact O-N 3.35Å; I226-L229 VanDerWaalsContact O-N 3.15Å |
| 230 | L | 65 | Low | 59.3 | Low | 76 Ų | 76 | 99 Ų | 99 | 40% | 0.398 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -77.1 | -44.3 | 179.9 | -67.1 | 169.4 | 0 | 0 | 0 | 112.4 | S206 I209 I226 T227 E228 | S206-L230 WeakPolarHBondContact OG-CD2 3.46Å; I209-L230 HydrophobicContact CD1-CD2 4.07Å; I209-L230 HydrophobicContact CG1-CD2 3.67Å; I226-L230 HydrophobicContact CG2-CD1 4.39Å; I226-L230 WeakPolarHBondContact O-CG 3.22Å; I226-L230 PolarHBondContact O-N 2.92Å; I226-L230 VanDerWaalsContact O-N 3.12Å; T227-L230 PolarHBondContact O-N 3.43Å; E228-L230 PolarHBondContact O-N 2.94Å |
| 231 | V | 66.1 | Low | 58.1 | Low | 119 Ų | 119 | 98.6 Ų | 98.6 | 72% | 0.721 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -83.1 | -47.2 | -177.7 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | T227 E228 G233 | T227-V231 WeakPolarHBondContact O-CG2 3.26Å; T227-V231 PolarHBondContact O-N 3.29Å; E228-V231 PolarHBondContact O-N 3.31Å; V231-G233 PolarHBondContact O-N 2.71Å |
| 232 | K | 57.3 | Low | 57.1 | Low | 115 Ų | 115 | 97.6 Ų | 97.6 | 50% | 0.5 | 54% | 0.535 | S | S | . | . | trans | -81.7 | 25.1 | -175.6 | -142.3 | 172.1 | -167.8 | 177.8 | 0 | 113 | F223 E228 A234 | F223-K232 HydrophobicContact CE1-CB 4.48Å; E228-K232 HydrophobicContact CG-CB 3.88Å; E228-K232 HydrophobicContact CG-CD 3.58Å; E228-K232 HydrophobicContact CG-CG 4.41Å; E228-K232 VanDerWaalsContact O-CA 3.31Å; E228-K232 WeakPolarHBondContact O-CA 3.48Å; E228-K232 WeakPolarHBondContact O-CB 3.07Å; E228-K232 PolarHBondContact O-N 3.44Å; E228-K232 WeakPolarHBondContact OE1-CD 3.32Å; E228-K232 WeakPolarHBondContact OE1-CE 3.48Å; E228-K232 IonicContact OE1-NZ 2.62Å; E228-K232 PolarHBondContact OE1-NZ 3.21Å; K232-A234 PolarHBondContact O-N 3.07Å | ||
| 233 | G | 51.2 | Low | 56 | Low | 29 Ų | 29 | 97.4 Ų | 97.4 | 30% | 0.299 | 54% | 0.537 | S | S | . | . | G | 310 helix | trans | -65 | 15.3 | 162.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | V231 L236 | V231-G233 PolarHBondContact O-N 2.71Å; G233-L236 WeakPolarHBondContact O-CB 3.49Å; G233-L236 WeakPolarHBondContact O-CG 3.24Å |
| 234 | A | 48.3 | Very low | 55.4 | Low | 81 Ų | 81 | 96 Ų | 96 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -72 | -28 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K232 L236 | K232-A234 PolarHBondContact O-N 3.07Å; A234-L236 PolarHBondContact O-N 2.83Å |
| 235 | N | 45.1 | Very low | 54.6 | Low | 157 Ų | 157 | 88.6 Ų | 88.6 | 84% | 0.84 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -73.9 | 24.5 | 176.7 | -71.1 | 17.1 | 0 | 0 | 0 | 113.1 | ||
| 236 | L | 47.8 | Very low | 53.9 | Low | 52 Ų | 52 | 92.2 Ų | 92.2 | 27% | 0.272 | 52% | 0.523 | S | S | . | . | S | Bend | trans | -111 | 86.2 | -177.8 | -59.3 | -168.6 | 0 | 0 | 0 | 110.3 | R207 K211 G233 A234 E238 | R207-L236 HydrophobicContact CB-CD1 4.48Å; K211-L236 HydrophobicContact CD-CD1 4.2Å; G233-L236 WeakPolarHBondContact O-CB 3.49Å; G233-L236 WeakPolarHBondContact O-CG 3.24Å; A234-L236 PolarHBondContact O-N 2.83Å; L236-E238 PolarHBondContact O-N 3.15Å |
| 237 | S | 39.1 | Very low | 53.5 | Low | 101 Ų | 101 | 95.9 Ų | 95.9 | 71% | 0.706 | 54% | 0.537 | S | S | * | . | trans | -22.6 | 118.5 | 171.4 | 179 | 0 | 0 | 0 | 0 | 113.6 | S239 | S237-S239 PolarHBondContact O-N 2.89Š| ||
| 238 | E | 44.4 | Very low | 53.4 | Low | 175 Ų | 175 | 95.7 Ų | 95.7 | 82% | 0.818 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -68.3 | 6.4 | -166.1 | -56.6 | 178.4 | 117.4 | 0 | 0 | 114.8 | L236 E240 A241 | L236-E238 PolarHBondContact O-N 3.15Å; E238-E240 PolarHBondContact O-N 3.35Å; E238-A241 PolarHBondContact O-N 3.13Å |
| 239 | S | 40.9 | Very low | 53.5 | Low | 110 Ų | 110 | 96.3 Ų | 96.3 | 77% | 0.769 | 54% | 0.537 | S | S | * | . | trans | -71.3 | 8.4 | -175.7 | -60.7 | 0 | 0 | 0 | 0 | 115.6 | S237 | S237-S239 PolarHBondContact O-N 2.89Š| ||
| 240 | E | 46.3 | Very low | 53.5 | Low | 98 Ų | 98 | 98.6 Ų | 98.6 | 46% | 0.458 | 55% | 0.552 | S | S | . | * | S | Bend | trans | -126.4 | 70.5 | 161.2 | -80.7 | -170.2 | -144.9 | 0 | 0 | 109.2 | K126 E238 E242 R270 | K126-E240 IonicContact NZ-OE1 3.8Å; K126-E240 PolarHBondContact NZ-OE1 2.93Å; E238-E240 PolarHBondContact O-N 3.35Å; E240-E242 PolarHBondContact O-N 3.47Å; E240-R270 IonicContact OE2-NH1 2.59Å |
| 241 | A | 43.5 | Very low | 53.8 | Low | 69 Ų | 69 | 101 Ų | 101 | 57% | 0.57 | 56% | 0.561 | S | S | * | * | trans | -54 | 136 | 166.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | E238 Q243 | E238-A241 PolarHBondContact O-N 3.13Å; A241-Q243 PolarHBondContact O-N 3.47Å | ||
| 242 | E | 50.6 | Low | 54.1 | Low | 88 Ų | 88 | 95.8 Ų | 95.8 | 41% | 0.411 | 53% | 0.529 | S | S | . | . | trans | -83.7 | 65.1 | -179.7 | -77.8 | 167.7 | 142.7 | 0 | 0 | 110.3 | R207 K210 E240 D244 | R207-E242 IonicContact CZ-OE2 3.47Å; R207-E242 VanDerWaalsContact CZ-OE2 3.22Å; R207-E242 IonicContact NE-OE1 2.78Å; R207-E242 IonicContact NE-OE2 2.71Å; R207-E242 PolarHBondContact NE-OE2 2.88Å; R207-E242 IonicContact NH2-OE2 3.16Å; R207-E242 PolarHBondContact NH2-OE2 3.38Å; K210-E242 IonicContact NZ-OE1 3.97Å; K210-E242 PolarHBondContact NZ-OE1 3.45Å; E240-E242 PolarHBondContact O-N 3.47Å; E242-D244 PolarHBondContact O-N 2.88Å | ||
| 243 | Q | 45.9 | Very low | 54.5 | Low | 175 Ų | 175 | 95.3 Ų | 95.3 | 82% | 0.818 | 54% | 0.538 | S | S | * | . | trans | -69.9 | 31.3 | 165.3 | -71 | -173 | -25 | 0 | 0 | 112.6 | A241 G245 | A241-Q243 PolarHBondContact O-N 3.47Å; Q243-G245 PolarHBondContact O-N 3.29Å | ||
| 244 | D | 54.6 | Low | 55.3 | Low | 30 Ų | 30 | 97 Ų | 97 | 16% | 0.16 | 54% | 0.538 | C | S | . | . | trans | -78.9 | 64.6 | 165 | -67.9 | -30.8 | 0 | 0 | 0 | 107.8 | E242 A268 R270 | E242-D244 PolarHBondContact O-N 2.88Å; D244-A268 HydrophobicContact CB-CB 3.91Å; D244-R270 IonicContact OD1-CZ 3.72Å; D244-R270 IonicContact OD1-NE 2.74Å; D244-R270 PolarHBondContact OD1-NE 3.16Å; D244-R270 IonicContact OD1-NH2 3.99Å; D244-R270 IonicContact OD2-CZ 3.81Å; D244-R270 IonicContact OD2-NE 3.77Å; D244-R270 PolarHBondContact OD2-NE 3.18Å; D244-R270 IonicContact OD2-NH2 2.7Å; D244-R270 PolarHBondContact OD2-NH2 2.99Å | ||
| 245 | G | 55.5 | Low | 55.9 | Low | 41 Ų | 41 | 98.7 Ų | 98.7 | 42% | 0.423 | 53% | 0.533 | S | S | . | . | trans | -59.8 | 159 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q243 H247 N248 | Q243-G245 PolarHBondContact O-N 3.29Å; G245-H247 PolarHBondContact O-N 2.95Å; G245-N248 WeakPolarHBondContact O-CB 3.46Å; G245-N248 PolarHBondContact O-N 2.87Å | ||
| 246 | E | 56.5 | Low | 57 | Low | 165 Ų | 165 | 92.7 Ų | 92.7 | 77% | 0.771 | 50% | 0.499 | S | S | * | . | G | 310 helix | trans | -49.6 | -39 | -165.6 | -62.7 | 178 | 177.3 | 0 | 0 | 114.3 | N248 I249 | E246-N248 PolarHBondContact O-N 3.33Å; E246-I249 WeakPolarHBondContact O-CB 3.29Å; E246-I249 PolarHBondContact O-N 3.18Å |
| 247 | H | 60.3 | Low | 57.5 | Low | 192 Ų | 192 | 94.5 Ų | 94.5 | 89% | 0.889 | 52% | 0.516 | S | S | * | . | G | 310 helix | trans | -58.1 | -18.4 | 176.5 | -50.1 | -49.2 | 0 | 0 | 0 | 115.3 | G245 | G245-H247 PolarHBondContact O-N 2.95Š|
| 248 | N | 65.8 | Low | 58.4 | Low | 76 Ų | 76 | 91.4 Ų | 91.4 | 41% | 0.406 | 50% | 0.5 | S | S | . | . | G | 310 helix | trans | -92.6 | -11.1 | 176.6 | -71.2 | -36.3 | 0 | 0 | 0 | 113.4 | G245 E246 A268 V269 | G245-N248 WeakPolarHBondContact O-CB 3.46Å; G245-N248 PolarHBondContact O-N 2.87Å; E246-N248 PolarHBondContact O-N 3.33Å; N248-A268 VanDerWaalsContact O-CA 3.32Å; N248-A268 WeakPolarHBondContact O-CA 3.35Å; N248-V269 PolarHBondContact O-N 2.8Å |
| 249 | I | 71.6 | Confident | 59.1 | Low | 55 Ų | 55 | 89.8 Ų | 89.8 | 28% | 0.282 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 128.7 | -175 | -53.3 | 179.1 | 0 | 0 | 0 | 109.5 | V203 E246 Q266 | V203-I249 HydrophobicContact CG1-CD1 4.41Å; E246-I249 WeakPolarHBondContact O-CB 3.29Å; E246-I249 PolarHBondContact O-N 3.18Å; I249-Q266 HydrophobicContact CG2-CB 3.96Å; I249-Q266 HydrophobicContact CG2-CG 4.3Å |
| 250 | T | 68.7 | Low | 60 | Low | 66 Ų | 66 | 85.2 Ų | 85.2 | 41% | 0.405 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 144.6 | -178.8 | 54.7 | 0 | 0 | 0 | 0 | 111.1 | S267 | T250-S267 PolarHBondContact N-O 3.02Å; T250-S267 PolarHBondContact O-N 3.29Å; T250-S267 VanDerWaalsContact O-O 3.06Å; T250-S267 PolarHBondContact OG1-O 3.36Å; T250-S267 VanDerWaalsContact OG1-O 3.06Å |
| 251 | E | 70.6 | Confident | 60.7 | Low | 127 Ų | 127 | 80.8 Ų | 80.8 | 59% | 0.593 | 44% | 0.436 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 137.8 | 171.1 | -64.7 | -175.6 | 174.8 | 0 | 0 | 110.8 | P253 Q266 | E251-P253 VanDerWaalsContact O-CD 3.27Å; E251-P253 WeakPolarHBondContact O-CD 3.27Å; E251-Q266 HydrophobicContact CG-CG 4.04Å |
| 252 | L | 71.3 | Confident | 61.7 | Low | 9 Ų | 9 | 82.3 Ų | 82.3 | 5% | 0.047 | 43% | 0.433 | C | S | . | . | trans | -88.2 | 112.9 | -178.7 | -64.2 | -178.1 | 0 | 0 | 0 | 111.7 | V200 Q254 N261 P263 S264 Q265 S267 | V200-L252 HydrophobicContact CG1-CD1 3.88Å; V200-L252 HydrophobicContact CG1-CD2 3.83Å; V200-L252 HydrophobicContact CG1-CG 4.39Å; L252-Q254 PolarHBondContact O-N 3.13Å; L252-N261 HydrophobicContact CD1-CB 3.88Å; L252-P263 CarbonylContact O-C 3.58Å; L252-P263 WeakPolarHBondContact O-CA 3.22Å; L252-S264 PolarHBondContact O-N 2.92Å; L252-Q265 PolarHBondContact N-O 3.24Å; L252-S267 WeakPolarHBondContact CD1-OG 3.15Å | ||
| 253 | P | 65.5 | Low | 62.2 | Low | 106 Ų | 106 | 81 Ų | 81 | 69% | 0.688 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -75.2 | -6.4 | 176.8 | 31.6 | -37 | 0 | 0 | 0 | 113.5 | L173 E251 | L173-P253 HydrophobicContact CD1-CG 4.2Å; E251-P253 VanDerWaalsContact O-CD 3.27Å; E251-P253 WeakPolarHBondContact O-CD 3.27Å |
| 254 | Q | 68.8 | Low | 63.2 | Low | 63 Ų | 63 | 77.4 Ų | 77.4 | 29% | 0.294 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -145.5 | 150.9 | 177.3 | -61.1 | 175.8 | 6.8 | 0 | 0 | 110.3 | V171 L173 L252 Y256 | V171-Q254 PolarHBondContact O-NE2 3.4Å; V171-Q254 PolarHBondContact O-OE1 2.98Å; L173-Q254 HydrophobicContact CD1-CB 3.99Å; L173-Q254 HydrophobicContact CG-CB 4.11Å; L173-Q254 HydrophobicContact CG-CG 4.39Å; L252-Q254 PolarHBondContact O-N 3.13Å; Q254-Y256 PolarHBondContact O-N 3.07Å |
| 255 | M | 61.1 | Low | 64.1 | Low | 117 Ų | 117 | 78.4 Ų | 78.4 | 58% | 0.576 | 43% | 0.43 | S | S | * | . | trans | -58.3 | 118.6 | 171.3 | -71.6 | 179 | 79.6 | 0 | 0 | 111.5 | N174 M262 P263 | N174-M255 PolarHBondContact ND2-O 2.98Å; M255-M262 HydrophobicContact CE-SD 4.21Å; M255-P263 HydrophobicContact CG-CG 4.27Å | ||
| 256 | Y | 68.2 | Low | 65.1 | Low | 32 Ų | 32 | 81.1 Ų | 81.1 | 13% | 0.125 | 43% | 0.431 | C | S | . | . | trans | -95.7 | 152.6 | 175.4 | -168.5 | -90.4 | 0 | 0 | 0 | 111.1 | L173 N174 I176 V200 Q254 G258 | L173-Y256 HydrophobicContact CB-CD2 4.02Å; L173-Y256 WeakPolarHBondContact O-CE2 3.15Å; N174-Y256 WeakPolarHBondContact OD1-CA 3.48Å; I176-Y256 PolarHBondContact O-OH 3.31Å; I176-Y256 VanDerWaalsContact O-OH 3.12Å; V200-Y256 HydrophobicContact CB-CD1 3.73Å; V200-Y256 HydrophobicContact CB-CE1 3.93Å; V200-Y256 HydrophobicContact CB-CG 4.11Å; V200-Y256 HydrophobicContact CG2-CD1 3.83Å; V200-Y256 HydrophobicContact CG2-CD2 3.89Å; V200-Y256 HydrophobicContact CG2-CE1 3.81Å; V200-Y256 HydrophobicContact CG2-CE2 3.87Å; V200-Y256 HydrophobicContact CG2-CG 3.87Å; Q254-Y256 PolarHBondContact O-N 3.07Å; Y256-G258 PolarHBondContact O-N 3.12Å | ||
| 257 | S | 58.6 | Low | 66.2 | Low | 89 Ų | 89 | 73.2 Ų | 73.2 | 62% | 0.622 | 40% | 0.395 | S | S | * | . | S | Bend | trans | -72.1 | 73.3 | -179 | -65.6 | 0 | 0 | 0 | 0 | 112.2 | N174 | N174-S257 WeakPolarHBondContact OD1-CB 3.43Å; N174-S257 PolarHBondContact OD1-N 3.16Å; N174-S257 PolarHBondContact OD1-OG 3.47Å |
| 258 | G | 58.7 | Low | 67.2 | Low | 36 Ų | 36 | 64.1 Ų | 64.1 | 37% | 0.371 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -157.5 | 145.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.1 | Y256 G260 N261 | Y256-G258 PolarHBondContact O-N 3.12Å; G258-G260 PolarHBondContact O-N 2.96Å; G258-N261 PolarHBondContact O-N 2.94Å |
| 259 | R | 57.9 | Low | 68.1 | Low | 141 Ų | 141 | 62.7 Ų | 62.7 | 53% | 0.532 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.7 | 121.8 | 177.3 | -69.2 | -174.6 | -179 | 171.1 | 5.6 | 109.5 | M213 E215 | M213-R259 HydrophobicContact CB-CB 4.49Å; M213-R259 HydrophobicContact CE-CB 4.4Å; M213-R259 WeakPolarHBondContact O-CD 3.44Å; M213-R259 PolarHBondContact O-NH1 3.24Å; E215-R259 VanDerWaalsContact CG-NH2 3.27Å; E215-R259 IonicContact OE1-CZ 3.19Å; E215-R259 IonicContact OE1-NH2 3.71Å; E215-R259 PolarHBondContact OE1-NH2 3.07Å |
| 260 | G | 59.9 | Low | 68.7 | Low | 14 Ų | 14 | 62.5 Ų | 62.5 | 14% | 0.144 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.8 | 14.9 | -174.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | P202 G258 M262 Q265 | P202-G260 WeakPolarHBondContact CB-O 3.42Å; G258-G260 PolarHBondContact O-N 2.96Å; G260-M262 PolarHBondContact O-N 3.48Å; G260-Q265 PolarHBondContact O-OE1 2.73Å |
| 261 | N | 61.3 | Low | 69.6 | Low | 6 Ų | 6 | 63.6 Ų | 63.6 | 3% | 0.032 | 35% | 0.345 | C | S | . | . | trans | -98.3 | 66.8 | 174.6 | -62.5 | 39.5 | 0 | 0 | 0 | 110.4 | V200 P202 L252 G258 | V200-N261 VanDerWaalsContact CG1-ND2 3.26Å; V200-N261 WeakPolarHBondContact CG1-ND2 3.26Å; V200-N261 PolarHBondContact O-ND2 3.42Å; P202-N261 WeakPolarHBondContact CD-OD1 3.46Å; L252-N261 HydrophobicContact CD1-CB 3.88Å; G258-N261 PolarHBondContact O-N 2.94Å | ||
| 262 | M | 64.1 | Low | 70.4 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 50% | 0.498 | 33% | 0.328 | S | S | . | . | trans | -72.8 | 158.4 | 177.6 | -68 | -59.4 | -76.3 | 0 | 0 | 111.5 | M255 G260 Q265 | M255-M262 HydrophobicContact CE-SD 4.21Å; G260-M262 PolarHBondContact O-N 3.48Å; M262-Q265 HydrophobicContact CB-CB 4.3Å; M262-Q265 PolarHBondContact O-N 3.16Å | ||
| 263 | P | 60.9 | Low | 71.3 | Confident | 61 Ų | 61 | 60.1 Ų | 60.1 | 40% | 0.396 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.8 | 150.8 | 173.2 | 32.7 | -33 | 0 | 0 | 0 | 109.6 | L252 M255 Q265 | L252-P263 CarbonylContact O-C 3.58Å; L252-P263 WeakPolarHBondContact O-CA 3.22Å; M255-P263 HydrophobicContact CG-CG 4.27Å; P263-Q265 PolarHBondContact O-N 3.33Å; P263-Q265 VanDerWaalsContact O-N 3.1Å |
| 264 | S | 67 | Low | 72.4 | Confident | 98 Ų | 98 | 55.1 Ų | 55.1 | 69% | 0.685 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 12.3 | -174.7 | -55.7 | 0 | 0 | 0 | 0 | 115.3 | L252 | L252-S264 PolarHBondContact O-N 2.92Š|
| 265 | Q | 73.8 | Confident | 73.4 | Confident | 51 Ų | 51 | 52.2 Ų | 52.2 | 24% | 0.238 | 29% | 0.285 | C | S | . | . | trans | -93 | 134.7 | 172.5 | -172.2 | 170.9 | -1 | 0 | 0 | 111 | L252 G260 M262 P263 S267 | L252-Q265 PolarHBondContact N-O 3.24Å; G260-Q265 PolarHBondContact O-OE1 2.73Å; M262-Q265 HydrophobicContact CB-CB 4.3Å; M262-Q265 PolarHBondContact O-N 3.16Å; P263-Q265 PolarHBondContact O-N 3.33Å; P263-Q265 VanDerWaalsContact O-N 3.1Å; Q265-S267 PolarHBondContact O-N 2.85Å | ||
| 266 | Q | 77.6 | Confident | 74.9 | Confident | 98 Ų | 98 | 46.7 Ų | 46.7 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.7 | 131.4 | 173 | -69.2 | -177.4 | -2.9 | 0 | 0 | 111.6 | V203 I249 E251 | V203-Q266 HydrophobicContact CB-CB 4.46Å; V203-Q266 PolarHBondContact N-O 2.81Å; I249-Q266 HydrophobicContact CG2-CB 3.96Å; I249-Q266 HydrophobicContact CG2-CG 4.3Å; E251-Q266 HydrophobicContact CG-CG 4.04Å |
| 267 | S | 78.4 | Confident | 76.1 | Confident | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 138.3 | -177.9 | -66.7 | 0 | 0 | 0 | 0 | 111.5 | V201 T250 L252 Q265 | V201-S267 CarbonylContact O-C 3.56Å; V201-S267 VanDerWaalsContact O-CA 3.31Å; V201-S267 WeakPolarHBondContact O-CA 3.1Å; T250-S267 PolarHBondContact N-O 3.02Å; T250-S267 PolarHBondContact O-N 3.29Å; T250-S267 VanDerWaalsContact O-O 3.06Å; T250-S267 PolarHBondContact OG1-O 3.36Å; T250-S267 VanDerWaalsContact OG1-O 3.06Å; L252-S267 WeakPolarHBondContact CD1-OG 3.15Å; Q265-S267 PolarHBondContact O-N 2.85Å |
| 268 | A | 81.6 | Confident | 77.8 | Confident | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 136.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V201 V203 D244 N248 | V201-A268 PolarHBondContact N-O 2.92Å; V201-A268 PolarHBondContact O-N 2.87Å; V203-A268 HydrophobicContact CG2-CB 3.72Å; D244-A268 HydrophobicContact CB-CB 3.91Å; N248-A268 VanDerWaalsContact O-CA 3.32Å; N248-A268 WeakPolarHBondContact O-CA 3.35Å |
| 269 | V | 83.7 | Confident | 79.5 | Confident | 46 Ų | 46 | 44.6 Ų | 44.6 | 28% | 0.279 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 95.7 | 177 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | L198 N248 L271 | L198-V269 HydrophobicContact CB-CG1 4.35Å; L198-V269 HydrophobicContact CD2-CG1 3.95Å; N248-V269 PolarHBondContact O-N 2.8Å; V269-L271 HydrophobicContact CG1-CD2 4.46Å |
| 270 | R | 84.7 | Confident | 81.2 | Confident | 52 Ų | 52 | 38 Ų | 38 | 20% | 0.196 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 129.4 | 176.7 | -60.3 | -164 | -172.4 | 173.7 | 4.8 | 111.1 | K199 V201 E240 D244 | K199-R270 PolarHBondContact N-O 3.01Å; K199-R270 PolarHBondContact O-N 2.87Å; V201-R270 HydrophobicContact CG2-CB 4.48Å; V201-R270 HydrophobicContact CG2-CG 4.12Å; E240-R270 IonicContact OE2-NH1 2.59Å; D244-R270 IonicContact OD1-CZ 3.72Å; D244-R270 IonicContact OD1-NE 2.74Å; D244-R270 PolarHBondContact OD1-NE 3.16Å; D244-R270 IonicContact OD1-NH2 3.99Å; D244-R270 IonicContact OD2-CZ 3.81Å; D244-R270 IonicContact OD2-NE 3.77Å; D244-R270 PolarHBondContact OD2-NE 3.18Å; D244-R270 IonicContact OD2-NH2 2.7Å; D244-R270 PolarHBondContact OD2-NH2 2.99Å |
| 271 | L | 87.4 | Confident | 82.8 | Confident | 88 Ų | 88 | 39.8 Ų | 39.8 | 46% | 0.461 | 21% | 0.207 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 148.8 | 176.8 | -61.3 | -177.7 | 0 | 0 | 0 | 111.8 | Y196 S197 L198 V269 | Y196-L271 HydrophobicContact CD1-CB 4.06Å; Y196-L271 HydrophobicContact CG-CB 4.33Å; Y196-L271 HydrophobicContact CG-CD1 4.38Å; S197-L271 WeakPolarHBondContact O-CA 3.4Å; L198-L271 HydrophobicContact CB-CD2 4.39Å; L198-L271 HydrophobicContact CD2-CD2 4.42Å; L198-L271 HydrophobicContact CG-CD2 3.91Å; V269-L271 HydrophobicContact CG1-CD2 4.46Å |
| 272 | T | 88.6 | Confident | 84.2 | Confident | 41 Ų | 41 | 39.9 Ų | 39.9 | 25% | 0.252 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 131.3 | 172.8 | 47.4 | 0 | 0 | 0 | 0 | 110.1 | Y196 S197 | Y196-T272 CarbonylContact C-O 3.55Å; Y196-T272 WeakPolarHBondContact CA-O 3.44Å; S197-T272 PolarHBondContact N-O 2.82Å; S197-T272 PolarHBondContact O-N 2.84Å; S197-T272 PolarHBondContact O-OG1 2.96Å |
| 273 | E | 88.9 | Confident | 85.5 | Confident | 22 Ų | 22 | 36.9 Ų | 36.9 | 10% | 0.103 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 136.9 | -178.9 | -72.6 | -175.6 | -177.5 | 0 | 0 | 111.8 | V120 L124 R194 Y196 R277 | V120-E273 HydrophobicContact CG1-CB 3.89Å; V120-E273 WeakPolarHBondContact CG1-OE2 3.49Å; L124-E273 HydrophobicContact CD1-CB 4.11Å; L124-E273 WeakPolarHBondContact CD1-O 3.3Å; R194-E273 IonicContact NH1-OE1 2.65Å; Y196-E273 HydrophobicContact CD1-CB 4.37Å; Y196-E273 HydrophobicContact CD1-CG 3.5Å; Y196-E273 VanDerWaalsContact CD1-CG 3.5Å; Y196-E273 HydrophobicContact CE1-CG 3.3Å; E273-R277 IonicContact OE1-CZ 2.95Å; E273-R277 IonicContact OE1-NE 3.84Å; E273-R277 IonicContact OE1-NH2 2.92Å; E273-R277 PolarHBondContact OE1-NH2 2.94Å; E273-R277 IonicContact OE2-CZ 2.71Å; E273-R277 IonicContact OE2-NE 3.94Å; E273-R277 PolarHBondContact OE2-NE 3.15Å; E273-R277 IonicContact OE2-NH2 2.87Å; E273-R277 PolarHBondContact OE2-NH2 3.01Å |
| 274 | I | 89.6 | Confident | 86.9 | Confident | 1 Ų | 1 | 36.5 Ų | 36.5 | 1% | 0.005 | 19% | 0.188 | C | C | . | . | trans | -132.9 | -30.4 | -179.3 | -74.5 | -157.3 | 0 | 0 | 0 | 112.6 | I117 M129 Q133 F134 H195 | I117-I274 WeakPolarHBondContact CD1-O 3.45Å; I117-I274 WeakPolarHBondContact CG1-O 3.47Å; M129-I274 HydrophobicContact CE-CG2 3.89Å; M129-I274 HydrophobicContact CG-CD1 4.22Å; M129-I274 HydrophobicContact CG-CG1 4.32Å; Q133-I274 VanDerWaalsContact OE1-CD1 3.25Å; F134-I274 HydrophobicContact CE1-CG2 4.01Å; F134-I274 HydrophobicContact CZ-CG2 3.55Å; H195-I274 PolarHBondContact O-N 2.71Å | ||
| 275 | G | 88.7 | Confident | 88.1 | Confident | 2 Ų | 2 | 32 Ų | 32 | 2% | 0.021 | 16% | 0.155 | C | C | . | . | S | Bend | trans | -96 | 176.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | H195 | H195-G275 WeakPolarHBondContact ND1-CA 3.2Å; H195-G275 PolarHBondContact ND1-N 3.08Å; H195-G275 VanDerWaalsContact ND1-N 3.15Å; H195-G275 PolarHBondContact O-N 2.78Å |
| 276 | P | 92.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 30.4 Ų | 30.4 | 1% | 0.006 | 15% | 0.148 | C | C | . | . | trans | -68.1 | 147.2 | 172 | 30.8 | -32.1 | 0 | 0 | 0 | 110 | L45 D48 S115 F193 | L45-P276 HydrophobicContact CD1-CB 3.71Å; L45-P276 HydrophobicContact CD1-CG 4Å; D48-P276 HydrophobicContact CB-CG 4.2Å; S115-P276 VanDerWaalsContact O-CA 3.26Å; S115-P276 WeakPolarHBondContact O-CA 3.41Å; S115-P276 WeakPolarHBondContact O-CB 3.22Å; F193-P276 HydrophobicContact CE1-CG 4.25Å | ||
| 277 | R | 93.6 | Very high | 89.4 | Confident | 90 Ų | 90 | 30.1 Ų | 30.1 | 34% | 0.34 | 15% | 0.147 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 136 | 168.7 | -64.7 | 176 | -179.3 | 175.8 | 0.1 | 108.4 | Y114 S115 V120 E273 | Y114-R277 CarbonylContact C-O 3.59Å; Y114-R277 WeakPolarHBondContact CA-O 3.33Å; S115-R277 PolarHBondContact N-O 2.84Å; S115-R277 PolarHBondContact O-N 2.95Å; V120-R277 HydrophobicContact CG2-CG 3.93Å; E273-R277 IonicContact OE1-CZ 2.95Å; E273-R277 IonicContact OE1-NE 3.84Å; E273-R277 IonicContact OE1-NH2 2.92Å; E273-R277 PolarHBondContact OE1-NH2 2.94Å; E273-R277 IonicContact OE2-CZ 2.71Å; E273-R277 IonicContact OE2-NE 3.94Å; E273-R277 PolarHBondContact OE2-NE 3.15Å; E273-R277 IonicContact OE2-NH2 2.87Å; E273-R277 PolarHBondContact OE2-NH2 3.01Å |
| 278 | M | 94.3 | Very high | 89.7 | Confident | 8 Ų | 8 | 30.7 Ų | 30.7 | 4% | 0.039 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.7 | 142.8 | 174.6 | -68.1 | 179.9 | 69.5 | 0 | 0 | 112.2 | L45 F87 M96 V111 K113 F193 L280 | L45-M278 HydrophobicContact CD1-CG 4.39Å; L45-M278 HydrophobicContact CD1-SD 3.99Å; L45-M278 HydrophobicContact CD2-CE 4.12Å; L45-M278 HydrophobicContact CD2-SD 4.17Å; L45-M278 HydrophobicContact CG-SD 4.41Å; F87-M278 HydrophobicContact CE1-CE 3.88Å; F87-M278 HydrophobicContact CE1-SD 4.43Å; M96-M278 HydrophobicContact SD-CE 4.5Å; V111-M278 HydrophobicContact CB-CE 4.29Å; V111-M278 HydrophobicContact CG1-CE 3.61Å; V111-M278 HydrophobicContact CG2-CE 3.62Å; K113-M278 WeakPolarHBondContact O-CA 3.36Å; F193-M278 HydrophobicContact CB-CB 4.22Å; F193-M278 HydrophobicContact CD1-CB 4.18Å; F193-M278 HydrophobicContact CD1-CG 4.41Å; F193-M278 PolarHBondContact N-O 3.24Å; F193-M278 PolarHBondContact O-N 2.78Å; F193-M278 VanDerWaalsContact O-N 3.08Å; M278-L280 HydrophobicContact CE-CD2 3.69Å |
| 279 | T | 94.9 | Very high | 89.5 | Confident | 16 Ų | 16 | 32.4 Ų | 32.4 | 10% | 0.098 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 123.1 | 165.3 | -60.2 | 0 | 0 | 0 | 0 | 108.4 | L112 K113 E190 | L112-T279 HydrophobicContact CB-CG2 4.08Å; L112-T279 HydrophobicContact CD1-CG2 4.16Å; L112-T279 PolarHBondContact N-O 2.91Å; K113-T279 PolarHBondContact O-N 3.43Å; E190-T279 HydrophobicContact CB-CG2 3.95Å; E190-T279 HydrophobicContact CG-CG2 3.83Å; E190-T279 WeakPolarHBondContact OE2-CG2 3.4Å |
| 280 | L | 93.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 140.5 | -178.1 | -59.3 | 169.9 | 0 | 0 | 0 | 109.9 | M96 F109 K110 V111 I191 M278 | M96-L280 HydrophobicContact CB-CD2 4.49Å; M96-L280 HydrophobicContact CE-CD1 3.52Å; M96-L280 HydrophobicContact CE-CD2 3.99Å; M96-L280 HydrophobicContact CE-CG 4.41Å; M96-L280 HydrophobicContact SD-CD2 4.37Å; F109-L280 HydrophobicContact CB-CB 4.34Å; F109-L280 HydrophobicContact CB-CD2 4.19Å; F109-L280 HydrophobicContact CD1-CB 4.26Å; F109-L280 HydrophobicContact CG-CB 4.49Å; K110-L280 WeakPolarHBondContact O-CA 3.49Å; V111-L280 HydrophobicContact CB-CD2 4.46Å; V111-L280 HydrophobicContact CG2-CD2 3.83Å; I191-L280 HydrophobicContact CB-CB 4.24Å; I191-L280 PolarHBondContact N-O 3.5Å; I191-L280 PolarHBondContact O-N 2.84Å; M278-L280 HydrophobicContact CE-CD2 3.69Å |
| 281 | Q | 92.6 | Very high | 88.3 | Confident | 52 Ų | 52 | 35.7 Ų | 35.7 | 24% | 0.243 | 19% | 0.187 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 132.5 | 170.9 | -172.8 | -179.2 | 40.8 | 0 | 0 | 108.9 | F109 K110 L112 V283 | F109-Q281 CarbonylContact C-O 3.51Å; F109-Q281 VanDerWaalsContact CA-O 3.26Å; F109-Q281 WeakPolarHBondContact CA-O 3.46Å; K110-Q281 PolarHBondContact N-O 2.87Å; K110-Q281 PolarHBondContact O-N 2.76Å; L112-Q281 HydrophobicContact CD1-CB 3.95Å; L112-Q281 HydrophobicContact CG-CB 4.22Å; Q281-V283 PolarHBondContact O-N 2.83Å |
| 282 | L | 91.4 | Very high | 87.9 | Confident | 8 Ų | 8 | 32.5 Ų | 32.5 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 119.8 | 177 | -177.2 | 63.7 | 0 | 0 | 0 | 109.8 | L107 F109 H151 I285 Y296 S298 | L107-L282 HydrophobicContact CB-CD1 4.49Å; F109-L282 HydrophobicContact CD1-CB 4.3Å; F109-L282 HydrophobicContact CD1-CD1 4.14Å; F109-L282 HydrophobicContact CE1-CB 4.2Å; F109-L282 HydrophobicContact CE1-CD1 3.79Å; F109-L282 HydrophobicContact CZ-CD1 4.28Å; H151-L282 HydrophobicContact CB-CD2 4.47Å; L282-I285 HydrophobicContact CD1-CG1 4.24Å; L282-I285 HydrophobicContact CD2-CD1 4.26Å; L282-I285 HydrophobicContact CD2-CG1 4.22Å; L282-Y296 HydrophobicContact CD2-CD1 3.88Å; L282-Y296 HydrophobicContact CD2-CE1 3.78Å; L282-Y296 HydrophobicContact CG-CD1 4.33Å; L282-Y296 HydrophobicContact CG-CE1 4.15Å; L282-S298 WeakPolarHBondContact O-CB 3.46Å; L282-S298 PolarHBondContact O-OG 2.98Å |
| 283 | V | 90.8 | Very high | 87.7 | Confident | 39 Ų | 39 | 33 Ų | 33 | 24% | 0.236 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -49.4 | 176.3 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | Y108 K110 Q281 H297 S298 | Y108-V283 PolarHBondContact O-N 3.42Å; K110-V283 HydrophobicContact CB-CG2 3.6Å; Q281-V283 PolarHBondContact O-N 2.83Å; V283-H297 CarbonylContact O-C 3.57Å; V283-H297 WeakPolarHBondContact O-CA 3.43Å; V283-S298 PolarHBondContact O-N 3.26Å; V283-S298 PolarHBondContact O-OG 2.7Å |
| 284 | K | 91.1 | Very high | 87.6 | Confident | 53 Ų | 53 | 36 Ų | 36 | 23% | 0.23 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.9 | 157.5 | -179.8 | 61.7 | -177.7 | -178.5 | -175.9 | 0 | 114 | Y108 I294 Y296 H297 | Y108-K284 HydrophobicContact CD2-CD 4.45Å; Y108-K284 HydrophobicContact CD2-CG 3.81Å; Y108-K284 HydrophobicContact CG-CD 4.48Å; Y108-K284 HydrophobicContact CG-CG 3.81Å; Y108-K284 PolarHBondContact N-O 2.81Å; Y108-K284 PolarHBondContact O-N 3.17Å; K284-I294 HydrophobicContact CB-CG2 4.45Å; K284-I294 HydrophobicContact CD-CD1 4.38Å; K284-Y296 CarbonylContact C-O 3.53Å; K284-Y296 WeakPolarHBondContact CA-O 3.39Å; K284-Y296 VanDerWaalsContact CB-O 3.22Å; K284-Y296 WeakPolarHBondContact CB-O 3.49Å; K284-H297 HydrophobicContact CB-CB 4.19Å |
| 285 | I | 91.6 | Very high | 87.3 | Confident | 2 Ų | 2 | 40.9 Ų | 40.9 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.9 | 126.7 | 169 | -55.2 | -169.2 | 0 | 0 | 0 | 107.6 | P105 L107 H151 L154 L282 I294 L295 Y296 | P105-I285 HydrophobicContact CB-CG2 4.5Å; L107-I285 HydrophobicContact CD2-CB 4.2Å; L107-I285 HydrophobicContact CD2-CD1 3.67Å; L107-I285 HydrophobicContact CD2-CG1 3.55Å; L107-I285 HydrophobicContact CD2-CG2 3.95Å; H151-I285 HydrophobicContact CB-CD1 3.81Å; L154-I285 HydrophobicContact CD2-CD1 4.07Å; L154-I285 HydrophobicContact CD2-CG2 3.91Å; L282-I285 HydrophobicContact CD1-CG1 4.24Å; L282-I285 HydrophobicContact CD2-CD1 4.26Å; L282-I285 HydrophobicContact CD2-CG1 4.22Å; I285-I294 CarbonylContact O-C 3.6Å; I285-I294 WeakPolarHBondContact O-CA 3.24Å; I285-L295 HydrophobicContact CB-CB 4.34Å; I285-L295 HydrophobicContact CG2-CB 4.09Å; I285-L295 HydrophobicContact CG2-CD1 4.12Å; I285-L295 PolarHBondContact O-N 2.88Å; I285-Y296 HydrophobicContact CG1-CD1 4.26Å; I285-Y296 PolarHBondContact N-O 3.16Å; I285-Y296 PolarHBondContact O-N 2.89Å |
| 286 | Q | 89.7 | Confident | 87.2 | Confident | 18 Ų | 18 | 43.4 Ų | 43.4 | 8% | 0.084 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 144.9 | 173.7 | -163.3 | -177 | 2.3 | 0 | 0 | 110.2 | P105 M106 Y108 G290 G292 N293 I294 | P105-Q286 CarbonylContact C-O 3.44Å; P105-Q286 VanDerWaalsContact CA-O 3.23Å; P105-Q286 WeakPolarHBondContact CA-O 3.39Å; P105-Q286 WeakPolarHBondContact CB-O 3.25Å; M106-Q286 PolarHBondContact N-O 2.93Å; M106-Q286 PolarHBondContact O-N 2.93Å; Y108-Q286 HydrophobicContact CD2-CB 4.46Å; Y108-Q286 HydrophobicContact CE2-CB 3.82Å; Y108-Q286 PolarHBondContact OH-OE1 2.98Å; Q286-G290 PolarHBondContact NE2-O 3.5Å; Q286-G290 PolarHBondContact OE1-O 2.74Å; Q286-G292 PolarHBondContact NE2-O 3.46Å; Q286-N293 CarbonylContact C-O 3.48Å; Q286-N293 VanDerWaalsContact CA-O 3.27Å; Q286-N293 WeakPolarHBondContact CA-O 3.34Å; Q286-N293 VanDerWaalsContact CG-O 3.29Å; Q286-N293 WeakPolarHBondContact CG-O 3.43Å; Q286-I294 HydrophobicContact CG-CG1 4.47Å |
| 287 | E | 88.3 | Confident | 86.9 | Confident | 92 Ų | 92 | 45.3 Ų | 45.3 | 43% | 0.43 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -75.8 | 142.2 | 170.6 | -165.8 | -172.8 | 179.3 | 0 | 0 | 111.3 | G292 N293 | E287-G292 WeakPolarHBondContact O-CA 3.31Å; E287-G292 PolarHBondContact O-N 3.43Å; E287-N293 PolarHBondContact N-O 3.49Å |
| 288 | G | 84.6 | Confident | 86.4 | Confident | 13 Ų | 13 | 43.3 Ų | 43.3 | 13% | 0.134 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 64.5 | -171.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.5 | G104 G290 | G104-G288 CarbonylContact O-C 3.45Å; G104-G288 VanDerWaalsContact O-C 3.31Å; G104-G288 WeakPolarHBondContact O-CA 3.28Å; G104-G288 PolarHBondContact O-N 3.08Å; G288-G290 PolarHBondContact O-N 3.02Å |
| 289 | M | 78.4 | Confident | 85.4 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 17% | 0.172 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.9 | 30.1 | -172.9 | -67.4 | -61.7 | -69.2 | 0 | 0 | 114.9 | V73 F84 A99 L101 M106 | V73-M289 HydrophobicContact CG2-CE 3.91Å; F84-M289 HydrophobicContact CD2-CE 3.7Å; F84-M289 HydrophobicContact CE2-CE 3.92Å; A99-M289 HydrophobicContact CB-CE 4.17Å; A99-M289 HydrophobicContact CB-SD 3.85Å; L101-M289 HydrophobicContact CD1-CE 3.65Å; L101-M289 HydrophobicContact CD1-SD 3.95Å; L101-M289 HydrophobicContact CD2-CE 4.48Å; L101-M289 HydrophobicContact CG-CE 3.9Å; L101-M289 HydrophobicContact CG-SD 4.02Å; M106-M289 VanDerWaalsContact CE-C 3.49Å |
| 290 | G | 68.3 | Low | 84.4 | Confident | 24 Ų | 24 | 54.5 Ų | 54.5 | 25% | 0.247 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 114.9 | -5.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.6 | Q286 G288 | Q286-G290 PolarHBondContact NE2-O 3.5Å; Q286-G290 PolarHBondContact OE1-O 2.74Å; G288-G290 PolarHBondContact O-N 3.02Å |
| 291 | D | 75.4 | Confident | 83 | Confident | 144 Ų | 144 | 60.2 Ų | 60.2 | 77% | 0.77 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.9 | -15.6 | 179.8 | -63.6 | -49.4 | 0 | 0 | 0 | 113.7 | K314 | D291-K314 PolarHBondContact O-NZ 3.02Š|
| 292 | G | 78 | Confident | 82.2 | Confident | 21 Ų | 21 | 62.4 Ų | 62.4 | 22% | 0.216 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -74.6 | -166 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | Q286 E287 K314 | Q286-G292 PolarHBondContact NE2-O 3.46Å; E287-G292 WeakPolarHBondContact O-CA 3.31Å; E287-G292 PolarHBondContact O-N 3.43Å; G292-K314 PolarHBondContact O-NZ 3.4Å; G292-K314 VanDerWaalsContact O-NZ 3.09Å |
| 293 | N | 83.8 | Confident | 81.2 | Confident | 52 Ų | 52 | 65.8 Ų | 65.8 | 28% | 0.278 | 36% | 0.361 | S | S | . | . | trans | -86.1 | 160.4 | -170.6 | -59.5 | -30.9 | 0 | 0 | 0 | 112.1 | Q286 E287 L311 K314 | Q286-N293 CarbonylContact C-O 3.48Å; Q286-N293 VanDerWaalsContact CA-O 3.27Å; Q286-N293 WeakPolarHBondContact CA-O 3.34Å; Q286-N293 VanDerWaalsContact CG-O 3.29Å; Q286-N293 WeakPolarHBondContact CG-O 3.43Å; E287-N293 PolarHBondContact N-O 3.49Å; N293-L311 WeakPolarHBondContact OD1-CD2 3.28Å; N293-K314 PolarHBondContact OD1-NZ 3.27Å; N293-K314 VanDerWaalsContact OD1-NZ 3.15Å | ||
| 294 | I | 87.6 | Confident | 80.2 | Confident | 84 Ų | 84 | 70.2 Ų | 70.2 | 43% | 0.431 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.5 | 116.4 | 176.9 | -62.2 | 176.2 | 0 | 0 | 0 | 107.4 | K284 I285 Q286 Y296 H297 | K284-I294 HydrophobicContact CB-CG2 4.45Å; K284-I294 HydrophobicContact CD-CD1 4.38Å; I285-I294 CarbonylContact O-C 3.6Å; I285-I294 WeakPolarHBondContact O-CA 3.24Å; Q286-I294 HydrophobicContact CG-CG1 4.47Å; I294-Y296 WeakPolarHBondContact CG2-O 3.49Å; I294-H297 HydrophobicContact CG2-CB 4.21Å |
| 295 | L | 84.1 | Confident | 79.4 | Confident | 104 Ų | 104 | 74 Ų | 74 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | -25 | -178.5 | -61.1 | 175.7 | 0 | 0 | 0 | 112.5 | I285 | I285-L295 HydrophobicContact CB-CB 4.34Å; I285-L295 HydrophobicContact CG2-CB 4.09Å; I285-L295 HydrophobicContact CG2-CD1 4.12Å; I285-L295 PolarHBondContact O-N 2.88Å |
| 296 | Y | 86.3 | Confident | 78.7 | Confident | 54 Ų | 54 | 77.5 Ų | 77.5 | 21% | 0.212 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -157.9 | 146.7 | 178.4 | 172.4 | -97.4 | 0 | 0 | 0 | 109.6 | H151 L282 K284 I285 I294 | H151-Y296 HydrophobicContact CB-CD1 4.19Å; H151-Y296 HydrophobicContact CB-CD2 4.19Å; H151-Y296 HydrophobicContact CB-CG 3.97Å; H151-Y296 AromaticContact CE1-CE2 3.99Å; H151-Y296 AromaticContact ND1-CD2 3.99Å; H151-Y296 AromaticContact ND1-CE2 3.75Å; L282-Y296 HydrophobicContact CD2-CD1 3.88Å; L282-Y296 HydrophobicContact CD2-CE1 3.78Å; L282-Y296 HydrophobicContact CG-CD1 4.33Å; L282-Y296 HydrophobicContact CG-CE1 4.15Å; K284-Y296 CarbonylContact C-O 3.53Å; K284-Y296 WeakPolarHBondContact CA-O 3.39Å; K284-Y296 VanDerWaalsContact CB-O 3.22Å; K284-Y296 WeakPolarHBondContact CB-O 3.49Å; I285-Y296 HydrophobicContact CG1-CD1 4.26Å; I285-Y296 PolarHBondContact N-O 3.16Å; I285-Y296 PolarHBondContact O-N 2.89Å; I294-Y296 WeakPolarHBondContact CG2-O 3.49Å |
| 297 | H | 87.1 | Confident | 78 | Confident | 42 Ų | 42 | 80 Ų | 80 | 19% | 0.194 | 43% | 0.427 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 126.4 | 172 | -165.1 | -68.6 | 0 | 0 | 0 | 108.4 | V283 K284 I294 M299 I300 | V283-H297 CarbonylContact O-C 3.57Å; V283-H297 WeakPolarHBondContact O-CA 3.43Å; K284-H297 HydrophobicContact CB-CB 4.19Å; I294-H297 HydrophobicContact CG2-CB 4.21Å; H297-M299 PolarHBondContact ND1-N 3.37Å; H297-M299 PolarHBondContact O-N 2.92Å; H297-I300 WeakPolarHBondContact CB-O 3.27Å; H297-I300 PolarHBondContact ND1-N 2.93Å |
| 298 | S | 81.8 | Confident | 77.4 | Confident | 47 Ų | 47 | 81.7 Ų | 81.7 | 33% | 0.329 | 43% | 0.429 | S | S | . | . | S | Bend | trans | -69.4 | -32.7 | -170.8 | 44.8 | 0 | 0 | 0 | 0 | 113.8 | L282 V283 | L282-S298 WeakPolarHBondContact O-CB 3.46Å; L282-S298 PolarHBondContact O-OG 2.98Å; V283-S298 PolarHBondContact O-N 3.26Å; V283-S298 PolarHBondContact O-OG 2.7Å |
| 299 | M | 74.8 | Confident | 77.3 | Confident | 165 Ų | 165 | 87.6 Ų | 87.6 | 81% | 0.813 | 45% | 0.453 | S | S | * | . | S | Bend | trans | -103.5 | -10.2 | -176.7 | -176 | 173.4 | -81.5 | 0 | 0 | 115 | H297 | H297-M299 PolarHBondContact ND1-N 3.37Å; H297-M299 PolarHBondContact O-N 2.92Å |
| 300 | I | 72.9 | Confident | 77.4 | Confident | 95 Ų | 95 | 89.4 Ų | 89.4 | 49% | 0.487 | 46% | 0.463 | S | S | . | . | trans | -147.9 | 85.3 | -168.7 | -49.6 | 177.6 | 0 | 0 | 0 | 110.5 | H297 | H297-I300 WeakPolarHBondContact CB-O 3.27Å; H297-I300 PolarHBondContact ND1-N 2.93Å | ||
| 301 | S | 65.2 | Low | 78 | Confident | 120 Ų | 120 | 90.8 Ų | 90.8 | 84% | 0.839 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -70 | 128.8 | 161.7 | 41.2 | 0 | 0 | 0 | 0 | 109.5 | ||
| 302 | K | 74.3 | Confident | 78.4 | Confident | 98 Ų | 98 | 91 Ų | 91 | 43% | 0.426 | 46% | 0.458 | S | S | . | . | P | Polyproline II helix | trans | -96.7 | 147 | 168.2 | -71.9 | -172.3 | 156.8 | -72.6 | 0 | 109.3 | E306 I307 I310 | K302-E306 HydrophobicContact CB-CB 4.41Å; K302-E306 WeakPolarHBondContact CG-OE2 3.48Å; K302-E306 IonicContact NZ-OE2 3.01Å; K302-E306 PolarHBondContact NZ-OE2 3.11Å; K302-I307 HydrophobicContact CB-CD1 4.16Å; K302-I307 HydrophobicContact CB-CG1 3.94Å; K302-I310 HydrophobicContact CD-CD1 3.86Å |
| 303 | T | 71.7 | Confident | 78.8 | Confident | 80 Ų | 80 | 98.7 Ų | 98.7 | 49% | 0.491 | 48% | 0.481 | S | S | . | . | P | Polyproline II helix | trans | -65.1 | 155.6 | 169.3 | 62.2 | 0 | 0 | 0 | 0 | 110.3 | E305 E306 I307 | T303-E305 PolarHBondContact O-N 3.22Å; T303-E306 PolarHBondContact O-N 3.47Å; T303-E306 WeakPolarHBondContact OG1-CG 3.3Å; T303-E306 PolarHBondContact OG1-N 2.72Å; T303-I307 WeakPolarHBondContact O-CG1 3.41Å; T303-I307 PolarHBondContact O-N 3Å |
| 304 | E | 70.1 | Confident | 78.7 | Confident | 131 Ų | 131 | 99.9 Ų | 99.9 | 61% | 0.612 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -61.6 | -31.1 | 177.7 | -66.1 | -166 | -175.4 | 0 | 0 | 112.5 | I307 R308 | E304-I307 WeakPolarHBondContact O-CB 3.35Å; E304-I307 PolarHBondContact O-N 2.78Å; E304-R308 WeakPolarHBondContact O-CG 3.43Å; E304-R308 PolarHBondContact O-N 2.85Å; E304-R308 IonicContact OE2-CZ 3.21Å; E304-R308 IonicContact OE2-NE 2.71Å; E304-R308 IonicContact OE2-NH2 3.81Å; E304-R308 PolarHBondContact OE2-NH2 3.35Å |
| 305 | E | 72.8 | Confident | 78.6 | Confident | 132 Ų | 132 | 101.1 Ų | 101.1 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.1 | -45.9 | -178.6 | -56.7 | -169.7 | 139.2 | 0 | 0 | 111 | T303 I307 R308 E309 | T303-E305 PolarHBondContact O-N 3.22Å; E305-I307 PolarHBondContact O-N 2.88Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-R308 VanDerWaalsContact O-N 3.15Å; E305-E309 WeakPolarHBondContact O-CG 3.2Å; E305-E309 PolarHBondContact O-N 3.42Å |
| 306 | E | 76.8 | Confident | 78.8 | Confident | 77 Ų | 77 | 98.9 Ų | 98.9 | 36% | 0.36 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -55.4 | -39.8 | 168.7 | -77.1 | -178.8 | -142.6 | 0 | 0 | 112.1 | K302 T303 E309 I310 | K302-E306 HydrophobicContact CB-CB 4.41Å; K302-E306 WeakPolarHBondContact CG-OE2 3.48Å; K302-E306 IonicContact NZ-OE2 3.01Å; K302-E306 PolarHBondContact NZ-OE2 3.11Å; T303-E306 PolarHBondContact O-N 3.47Å; T303-E306 WeakPolarHBondContact OG1-CG 3.3Å; T303-E306 PolarHBondContact OG1-N 2.72Å; E306-E309 PolarHBondContact O-N 3.28Å; E306-I310 VanDerWaalsContact O-CB 3.32Å; E306-I310 WeakPolarHBondContact O-CB 3.34Å; E306-I310 WeakPolarHBondContact O-CD1 3.47Å; E306-I310 WeakPolarHBondContact O-CG1 3.21Å; E306-I310 PolarHBondContact O-N 2.81Å |
| 307 | I | 75.3 | Confident | 78.8 | Confident | 70 Ų | 70 | 101.4 Ų | 101.4 | 36% | 0.359 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.4 | -44.4 | 178.8 | -66.3 | 166.9 | 0 | 0 | 0 | 110.3 | K302 T303 E304 E305 I310 L311 | K302-I307 HydrophobicContact CB-CD1 4.16Å; K302-I307 HydrophobicContact CB-CG1 3.94Å; T303-I307 WeakPolarHBondContact O-CG1 3.41Å; T303-I307 PolarHBondContact O-N 3Å; E304-I307 WeakPolarHBondContact O-CB 3.35Å; E304-I307 PolarHBondContact O-N 2.78Å; E305-I307 PolarHBondContact O-N 2.88Å; I307-I310 PolarHBondContact O-N 3.07Å; I307-L311 HydrophobicContact CG2-CD1 4.22Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 VanDerWaalsContact O-CG 3.3Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.32Å |
| 308 | R | 76.6 | Confident | 78.6 | Confident | 127 Ų | 127 | 104 Ų | 104 | 48% | 0.479 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.5 | -39.9 | 175.3 | -66.4 | 165.3 | -156.4 | 173.1 | 4.2 | 111.7 | E304 E305 L311 K312 | E304-R308 WeakPolarHBondContact O-CG 3.43Å; E304-R308 PolarHBondContact O-N 2.85Å; E304-R308 IonicContact OE2-CZ 3.21Å; E304-R308 IonicContact OE2-NE 2.71Å; E304-R308 IonicContact OE2-NH2 3.81Å; E304-R308 PolarHBondContact OE2-NH2 3.35Å; E305-R308 PolarHBondContact O-N 2.8Å; E305-R308 VanDerWaalsContact O-N 3.15Å; R308-L311 PolarHBondContact O-N 2.98Å; R308-K312 WeakPolarHBondContact O-CG 3.39Å; R308-K312 PolarHBondContact O-N 2.84Å |
| 309 | E | 81.4 | Confident | 79 | Confident | 138 Ų | 138 | 107.8 Ų | 107.8 | 65% | 0.645 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.3 | -43.6 | 174.5 | -72.5 | -164.5 | 159.6 | 0 | 0 | 112.8 | E305 E306 L311 K312 R313 | E305-E309 WeakPolarHBondContact O-CG 3.2Å; E305-E309 PolarHBondContact O-N 3.42Å; E306-E309 PolarHBondContact O-N 3.28Å; E309-L311 PolarHBondContact O-N 2.62Å; E309-K312 PolarHBondContact O-N 3.26Å; E309-R313 VanDerWaalsContact O-CB 3.25Å; E309-R313 WeakPolarHBondContact O-CB 3.19Å; E309-R313 PolarHBondContact O-N 3.05Å |
| 310 | I | 80.4 | Confident | 79.7 | Confident | 73 Ų | 73 | 103.8 Ų | 103.8 | 37% | 0.374 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.1 | -36.5 | 175.4 | -72.2 | 164.2 | 0 | 0 | 0 | 110.5 | K302 E306 I307 K314 | K302-I310 HydrophobicContact CD-CD1 3.86Å; E306-I310 VanDerWaalsContact O-CB 3.32Å; E306-I310 WeakPolarHBondContact O-CB 3.34Å; E306-I310 WeakPolarHBondContact O-CD1 3.47Å; E306-I310 WeakPolarHBondContact O-CG1 3.21Å; E306-I310 PolarHBondContact O-N 2.81Å; I307-I310 PolarHBondContact O-N 3.07Å; I310-K314 WeakPolarHBondContact O-CB 3.48Å; I310-K314 WeakPolarHBondContact O-CG 3.34Å; I310-K314 PolarHBondContact O-N 2.84Å |
| 311 | L | 80.9 | Confident | 80.5 | Confident | 52 Ų | 52 | 105.1 Ų | 105.1 | 27% | 0.272 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.3 | -55.8 | 172.6 | -74.3 | 168.9 | 0 | 0 | 0 | 111.9 | N293 I307 R308 E309 R313 K314 E315 | N293-L311 WeakPolarHBondContact OD1-CD2 3.28Å; I307-L311 HydrophobicContact CG2-CD1 4.22Å; I307-L311 WeakPolarHBondContact O-CB 3.5Å; I307-L311 VanDerWaalsContact O-CG 3.3Å; I307-L311 WeakPolarHBondContact O-CG 3.36Å; I307-L311 PolarHBondContact O-N 3.32Å; R308-L311 PolarHBondContact O-N 2.98Å; E309-L311 PolarHBondContact O-N 2.62Å; L311-R313 PolarHBondContact O-N 2.91Å; L311-K314 WeakPolarHBondContact O-CA 3.23Å; L311-K314 WeakPolarHBondContact O-CB 3.07Å; L311-K314 PolarHBondContact O-N 2.91Å; L311-E315 PolarHBondContact O-N 3.08Å |
| 312 | K | 84.9 | Confident | 81.6 | Confident | 149 Ų | 149 | 103.9 Ų | 103.9 | 65% | 0.648 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -52.1 | -41.7 | 175.7 | -71.7 | 172.8 | 179.2 | 179.8 | 0 | 111.9 | R308 E309 E315 A316 | R308-K312 WeakPolarHBondContact O-CG 3.39Å; R308-K312 PolarHBondContact O-N 2.84Å; E309-K312 PolarHBondContact O-N 3.26Å; K312-E315 PolarHBondContact O-N 3.06Å; K312-A316 WeakPolarHBondContact O-CB 3.46Å; K312-A316 PolarHBondContact O-N 3.44Å |
| 313 | R | 85.4 | Confident | 82.5 | Confident | 182 Ų | 182 | 104.5 Ų | 104.5 | 69% | 0.687 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -75.7 | -24.7 | 178.8 | -161 | 173.2 | -169.5 | -177 | 4 | 113.7 | E309 L311 K317 | E309-R313 VanDerWaalsContact O-CB 3.25Å; E309-R313 WeakPolarHBondContact O-CB 3.19Å; E309-R313 PolarHBondContact O-N 3.05Å; L311-R313 PolarHBondContact O-N 2.91Å; R313-K317 WeakPolarHBondContact O-CD 3.31Å; R313-K317 VanDerWaalsContact O-CG 3.29Å; R313-K317 WeakPolarHBondContact O-CG 3.21Å |
| 314 | K | 81.6 | Confident | 83.5 | Confident | 77 Ų | 77 | 108.3 Ų | 108.3 | 34% | 0.335 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -70.3 | -47.1 | 166.2 | -84.2 | -175.7 | -178.8 | -173.2 | 0 | 110.4 | D291 G292 N293 I310 L311 K317 M318 | D291-K314 PolarHBondContact O-NZ 3.02Å; G292-K314 PolarHBondContact O-NZ 3.4Å; G292-K314 VanDerWaalsContact O-NZ 3.09Å; N293-K314 PolarHBondContact OD1-NZ 3.27Å; N293-K314 VanDerWaalsContact OD1-NZ 3.15Å; I310-K314 WeakPolarHBondContact O-CB 3.48Å; I310-K314 WeakPolarHBondContact O-CG 3.34Å; I310-K314 PolarHBondContact O-N 2.84Å; L311-K314 WeakPolarHBondContact O-CA 3.23Å; L311-K314 WeakPolarHBondContact O-CB 3.07Å; L311-K314 PolarHBondContact O-N 2.91Å; K314-K317 CarbonylContact O-C 3.49Å; K314-K317 PolarHBondContact O-N 3.25Å; K314-M318 WeakPolarHBondContact O-CG 3.37Å; K314-M318 PolarHBondContact O-N 2.98Å |
| 315 | E | 85.7 | Confident | 84.5 | Confident | 111 Ų | 111 | 109.4 Ų | 109.4 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -46.1 | -177.6 | -73.1 | 175.7 | -166.5 | 0 | 0 | 112.4 | L311 K312 K317 M318 K319 | L311-E315 PolarHBondContact O-N 3.08Å; K312-E315 PolarHBondContact O-N 3.06Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.46Å; E315-M318 WeakPolarHBondContact O-CA 3.35Å; E315-M318 WeakPolarHBondContact O-CB 3.22Å; E315-M318 PolarHBondContact O-N 3.41Å; E315-K319 PolarHBondContact O-N 3.24Å |
| 316 | A | 87.9 | Confident | 85.5 | Confident | 57 Ų | 57 | 109 Ų | 109 | 47% | 0.471 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -54.7 | -44.9 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | K312 M318 K319 E320 | K312-A316 WeakPolarHBondContact O-CB 3.46Å; K312-A316 PolarHBondContact O-N 3.44Å; A316-M318 PolarHBondContact O-N 2.81Å; A316-K319 PolarHBondContact O-N 3.5Å; A316-E320 WeakPolarHBondContact O-CB 3.14Å; A316-E320 PolarHBondContact O-N 2.82Å |
| 317 | K | 86.7 | Confident | 86.2 | Confident | 107 Ų | 107 | 108.5 Ų | 108.5 | 47% | 0.465 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.7 | -8.4 | 175.5 | -72.4 | 179.6 | 178.4 | -176.4 | 0 | 114.8 | R313 K314 E315 K321 | R313-K317 WeakPolarHBondContact O-CD 3.31Å; R313-K317 VanDerWaalsContact O-CG 3.29Å; R313-K317 WeakPolarHBondContact O-CG 3.21Å; K314-K317 CarbonylContact O-C 3.49Å; K314-K317 PolarHBondContact O-N 3.25Å; E315-K317 VanDerWaalsContact C-N 3.27Å; E315-K317 PolarHBondContact O-N 3.46Å; K317-K321 WeakPolarHBondContact O-CD 3.48Å; K317-K321 VanDerWaalsContact O-CE 3.26Å; K317-K321 WeakPolarHBondContact O-CE 3.32Å; K317-K321 VanDerWaalsContact O-CG 3.22Å; K317-K321 WeakPolarHBondContact O-CG 3.44Å |
| 318 | M | 84.6 | Confident | 86.8 | Confident | 97 Ų | 97 | 111.4 Ų | 111.4 | 48% | 0.478 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -91.2 | -47.2 | 170 | -75.1 | -61.5 | -61.2 | 0 | 0 | 110.2 | K314 E315 A316 E320 K321 E322 | K314-M318 WeakPolarHBondContact O-CG 3.37Å; K314-M318 PolarHBondContact O-N 2.98Å; E315-M318 WeakPolarHBondContact O-CA 3.35Å; E315-M318 WeakPolarHBondContact O-CB 3.22Å; E315-M318 PolarHBondContact O-N 3.41Å; A316-M318 PolarHBondContact O-N 2.81Å; M318-E320 PolarHBondContact O-N 2.98Å; M318-K321 WeakPolarHBondContact O-CB 3.39Å; M318-K321 PolarHBondContact O-N 2.97Å; M318-E322 WeakPolarHBondContact O-CG 3.28Å; M318-E322 PolarHBondContact O-N 3.25Å |
| 319 | K | 89 | Confident | 87.6 | Confident | 126 Ų | 126 | 109.9 Ų | 109.9 | 55% | 0.548 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -54.9 | -49.7 | 173.9 | -64.8 | -179.4 | -178 | -179.1 | 0 | 111.5 | E315 A316 K321 E322 E323 | E315-K319 PolarHBondContact O-N 3.24Å; A316-K319 PolarHBondContact O-N 3.5Å; K319-K321 VanDerWaalsContact C-N 3.26Å; K319-K321 PolarHBondContact O-N 3.36Å; K319-E322 CarbonylContact O-C 3.54Å; K319-E322 PolarHBondContact O-N 2.54Å; K319-E323 WeakPolarHBondContact O-CG 3.34Å; K319-E323 PolarHBondContact O-N 3.19Å |
| 320 | E | 90.1 | Very high | 88.2 | Confident | 81 Ų | 81 | 109.1 Ų | 109.1 | 38% | 0.379 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -57.3 | -36.7 | 176.5 | -166.7 | -157.3 | 169 | 0 | 0 | 112.8 | A316 M318 R324 | A316-E320 WeakPolarHBondContact O-CB 3.14Å; A316-E320 PolarHBondContact O-N 2.82Å; M318-E320 PolarHBondContact O-N 2.98Å; E320-R324 WeakPolarHBondContact O-CB 3.26Å; E320-R324 VanDerWaalsContact O-CD 3.32Å; E320-R324 WeakPolarHBondContact O-CD 3.39Å; E320-R324 WeakPolarHBondContact O-CG 3.18Å; E320-R324 PolarHBondContact O-N 2.96Å; E320-R324 IonicContact OE1-CZ 2.64Å; E320-R324 VanDerWaalsContact OE1-CZ 3.23Å; E320-R324 IonicContact OE1-NE 2.61Å; E320-R324 PolarHBondContact OE1-NE 3.37Å; E320-R324 IonicContact OE1-NH2 3.73Å; E320-R324 PolarHBondContact OE1-NH2 3.29Å |
| 321 | K | 89 | Confident | 88.8 | Confident | 122 Ų | 122 | 110.3 Ų | 110.3 | 53% | 0.53 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -74.4 | -34.4 | 176.2 | -74.3 | 173.1 | -166.9 | 160.7 | 0 | 112.6 | K317 M318 K319 R325 | K317-K321 WeakPolarHBondContact O-CD 3.48Å; K317-K321 VanDerWaalsContact O-CE 3.26Å; K317-K321 WeakPolarHBondContact O-CE 3.32Å; K317-K321 VanDerWaalsContact O-CG 3.22Å; K317-K321 WeakPolarHBondContact O-CG 3.44Å; M318-K321 WeakPolarHBondContact O-CB 3.39Å; M318-K321 PolarHBondContact O-N 2.97Å; K319-K321 VanDerWaalsContact C-N 3.26Å; K319-K321 PolarHBondContact O-N 3.36Å; K321-R325 WeakPolarHBondContact O-CB 3.29Å; K321-R325 PolarHBondContact O-N 2.95Å |
| 322 | E | 89.3 | Confident | 89.5 | Confident | 95 Ų | 95 | 112.1 Ų | 112.1 | 44% | 0.444 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -71 | -35.8 | 175.6 | -72.6 | 173 | -158.3 | 0 | 0 | 111.1 | M318 K319 R325 K326 | M318-E322 WeakPolarHBondContact O-CG 3.28Å; M318-E322 PolarHBondContact O-N 3.25Å; K319-E322 CarbonylContact O-C 3.54Å; K319-E322 PolarHBondContact O-N 2.54Å; E322-R325 PolarHBondContact O-N 2.91Å; E322-K326 WeakPolarHBondContact O-CB 3.32Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.65Å |
| 323 | E | 92.8 | Very high | 89.8 | Confident | 110 Ų | 110 | 106.9 Ų | 106.9 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -49.3 | 171.3 | -71 | 151.6 | -161.5 | 0 | 0 | 111.8 | K319 R325 K326 T327 | K319-E323 WeakPolarHBondContact O-CG 3.34Å; K319-E323 PolarHBondContact O-N 3.19Å; E323-R325 PolarHBondContact O-N 3.34Å; E323-K326 PolarHBondContact O-N 3.15Å; E323-T327 WeakPolarHBondContact O-CB 3.48Å; E323-T327 WeakPolarHBondContact O-CG2 3.46Å; E323-T327 PolarHBondContact O-N 3.19Å; E323-T327 PolarHBondContact O-OG1 3.04Å |
| 324 | R | 91.8 | Very high | 90.2 | Very high | 160 Ų | 160 | 100.9 Ų | 100.9 | 60% | 0.604 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -56.5 | -33.5 | 170.8 | -73 | 164.5 | 179.2 | -108.9 | 7.8 | 112.2 | E320 T327 Q328 | E320-R324 WeakPolarHBondContact O-CB 3.26Å; E320-R324 VanDerWaalsContact O-CD 3.32Å; E320-R324 WeakPolarHBondContact O-CD 3.39Å; E320-R324 WeakPolarHBondContact O-CG 3.18Å; E320-R324 PolarHBondContact O-N 2.96Å; E320-R324 IonicContact OE1-CZ 2.64Å; E320-R324 VanDerWaalsContact OE1-CZ 3.23Å; E320-R324 IonicContact OE1-NE 2.61Å; E320-R324 PolarHBondContact OE1-NE 3.37Å; E320-R324 IonicContact OE1-NH2 3.73Å; E320-R324 PolarHBondContact OE1-NH2 3.29Å; R324-T327 WeakPolarHBondContact CA-OG1 3.4Å; R324-T327 PolarHBondContact O-OG1 3Å; R324-T327 VanDerWaalsContact O-OG1 3.1Å; R324-Q328 VanDerWaalsContact O-CB 3.31Å; R324-Q328 WeakPolarHBondContact O-CB 3.13Å; R324-Q328 PolarHBondContact O-N 2.96Å; R324-Q328 VanDerWaalsContact O-N 3.14Å |
| 325 | R | 91.7 | Very high | 90.7 | Very high | 155 Ų | 155 | 104.6 Ų | 104.6 | 59% | 0.585 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.8 | -46.1 | 177.9 | -177.1 | 174.5 | 174.4 | -170.6 | -7.7 | 112.4 | K321 E322 E323 T327 Q328 E329 | K321-R325 WeakPolarHBondContact O-CB 3.29Å; K321-R325 PolarHBondContact O-N 2.95Å; E322-R325 PolarHBondContact O-N 2.91Å; E323-R325 PolarHBondContact O-N 3.34Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 2.96Å; R325-Q328 CarbonylContact O-C 3.31Å; R325-Q328 PolarHBondContact O-N 3.01Å; R325-Q328 VanDerWaalsContact O-N 3.14Å; R325-E329 HydrophobicContact CG-CG 4.35Å; R325-E329 IonicContact CZ-OE1 3.46Å; R325-E329 IonicContact NE-OE1 3.32Å; R325-E329 PolarHBondContact NE-OE1 2.96Å; R325-E329 IonicContact NE-OE2 3.23Å; R325-E329 IonicContact NH2-OE1 3.72Å; R325-E329 PolarHBondContact NH2-OE1 3.4Å; R325-E329 WeakPolarHBondContact O-CB 3.38Å; R325-E329 WeakPolarHBondContact O-CG 3.39Å; R325-E329 PolarHBondContact O-N 3.12Å |
| 326 | K | 92.9 | Very high | 91.1 | Very high | 122 Ų | 122 | 105 Ų | 105 | 53% | 0.53 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -58 | -46.4 | 175.6 | -74.9 | 164.8 | -176.9 | 173.3 | 0 | 111 | E322 E323 Q328 E329 Q330 | E322-K326 WeakPolarHBondContact O-CB 3.32Å; E322-K326 WeakPolarHBondContact O-CG 3.4Å; E322-K326 PolarHBondContact O-N 2.65Å; E323-K326 PolarHBondContact O-N 3.15Å; K326-Q328 PolarHBondContact O-N 2.75Å; K326-E329 PolarHBondContact O-N 2.83Å; K326-Q330 WeakPolarHBondContact O-CB 3.33Å; K326-Q330 VanDerWaalsContact O-CG 3.3Å; K326-Q330 WeakPolarHBondContact O-CG 3.48Å; K326-Q330 PolarHBondContact O-N 2.84Å |
| 327 | T | 91.9 | Very high | 91.3 | Very high | 67 Ų | 67 | 107.1 Ų | 107.1 | 41% | 0.411 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.7 | -37 | 175.3 | 50 | 0 | 0 | 0 | 0 | 112.1 | E323 R324 R325 N331 | E323-T327 WeakPolarHBondContact O-CB 3.48Å; E323-T327 WeakPolarHBondContact O-CG2 3.46Å; E323-T327 PolarHBondContact O-N 3.19Å; E323-T327 PolarHBondContact O-OG1 3.04Å; R324-T327 WeakPolarHBondContact CA-OG1 3.4Å; R324-T327 PolarHBondContact O-OG1 3Å; R324-T327 VanDerWaalsContact O-OG1 3.1Å; R325-T327 VanDerWaalsContact C-N 3.34Å; R325-T327 PolarHBondContact O-N 2.96Å; T327-N331 VanDerWaalsContact O-CB 3.29Å; T327-N331 WeakPolarHBondContact O-CB 3.5Å; T327-N331 VanDerWaalsContact O-CG 3.27Å; T327-N331 PolarHBondContact O-N 3.3Å; T327-N331 PolarHBondContact O-ND2 3.19Å |
| 328 | Q | 89.1 | Confident | 91.6 | Very high | 131 Ų | 131 | 108.4 Ų | 108.4 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.5 | -40.9 | 172.7 | -172.3 | 173.7 | 13.8 | 0 | 0 | 112.4 | R324 R325 K326 N331 V332 | R324-Q328 VanDerWaalsContact O-CB 3.31Å; R324-Q328 WeakPolarHBondContact O-CB 3.13Å; R324-Q328 PolarHBondContact O-N 2.96Å; R324-Q328 VanDerWaalsContact O-N 3.14Å; R325-Q328 CarbonylContact O-C 3.31Å; R325-Q328 PolarHBondContact O-N 3.01Å; R325-Q328 VanDerWaalsContact O-N 3.14Å; K326-Q328 PolarHBondContact O-N 2.75Å; Q328-N331 PolarHBondContact O-N 2.86Å; Q328-V332 WeakPolarHBondContact O-CG2 3.39Å; Q328-V332 PolarHBondContact O-N 2.93Å |
| 329 | E | 92.6 | Very high | 91.9 | Very high | 95 Ų | 95 | 113.5 Ų | 113.5 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68 | -39.9 | 178.5 | -73.8 | 171.3 | 165.2 | 0 | 0 | 111.4 | R325 K326 V332 A333 | R325-E329 HydrophobicContact CG-CG 4.35Å; R325-E329 IonicContact CZ-OE1 3.46Å; R325-E329 IonicContact NE-OE1 3.32Å; R325-E329 PolarHBondContact NE-OE1 2.96Å; R325-E329 IonicContact NE-OE2 3.23Å; R325-E329 IonicContact NH2-OE1 3.72Å; R325-E329 PolarHBondContact NH2-OE1 3.4Å; R325-E329 WeakPolarHBondContact O-CB 3.38Å; R325-E329 WeakPolarHBondContact O-CG 3.39Å; R325-E329 PolarHBondContact O-N 3.12Å; K326-E329 PolarHBondContact O-N 2.83Å; E329-V332 PolarHBondContact O-N 3.08Å; E329-A333 WeakPolarHBondContact O-CB 3.19Å; E329-A333 PolarHBondContact O-N 3.01Å |
| 330 | Q | 94 | Very high | 92 | Very high | 123 Ų | 123 | 112 Ų | 112 | 58% | 0.575 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.7 | -42.8 | 169.4 | -73 | 168.2 | -29.8 | 0 | 0 | 112.5 | K326 V332 A333 T334 | K326-Q330 WeakPolarHBondContact O-CB 3.33Å; K326-Q330 VanDerWaalsContact O-CG 3.3Å; K326-Q330 WeakPolarHBondContact O-CG 3.48Å; K326-Q330 PolarHBondContact O-N 2.84Å; Q330-V332 VanDerWaalsContact C-N 3.26Å; Q330-V332 PolarHBondContact O-N 2.84Å; Q330-A333 PolarHBondContact O-N 3.36Å; Q330-T334 WeakPolarHBondContact O-CB 3.28Å; Q330-T334 WeakPolarHBondContact O-CG2 3.29Å; Q330-T334 PolarHBondContact O-N 2.85Å; Q330-T334 PolarHBondContact O-OG1 3.2Å |
| 331 | N | 93.7 | Very high | 92.1 | Very high | 98 Ų | 98 | 112.8 Ų | 112.8 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.2 | -22.7 | 176.1 | -80.5 | -50.3 | 0 | 0 | 0 | 113.3 | T327 Q328 K335 | T327-N331 VanDerWaalsContact O-CB 3.29Å; T327-N331 WeakPolarHBondContact O-CB 3.5Å; T327-N331 VanDerWaalsContact O-CG 3.27Å; T327-N331 PolarHBondContact O-N 3.3Å; T327-N331 PolarHBondContact O-ND2 3.19Å; Q328-N331 PolarHBondContact O-N 2.86Å; N331-K335 WeakPolarHBondContact O-CB 3.02Å; N331-K335 WeakPolarHBondContact O-CD 3.44Å; N331-K335 WeakPolarHBondContact O-CG 3.38Å |
| 332 | V | 94.3 | Very high | 92.2 | Very high | 90 Ų | 90 | 111.9 Ų | 111.9 | 55% | 0.545 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -83.9 | -40.4 | 171.9 | 169.7 | 0 | 0 | 0 | 0 | 111 | Q328 E329 Q330 K335 K336 | Q328-V332 WeakPolarHBondContact O-CG2 3.39Å; Q328-V332 PolarHBondContact O-N 2.93Å; E329-V332 PolarHBondContact O-N 3.08Å; Q330-V332 VanDerWaalsContact C-N 3.26Å; Q330-V332 PolarHBondContact O-N 2.84Å; V332-K335 PolarHBondContact O-N 3.27Å; V332-K336 WeakPolarHBondContact O-CB 3.34Å; V332-K336 PolarHBondContact O-N 2.98Å |
| 333 | A | 92.8 | Very high | 92.2 | Very high | 38 Ų | 38 | 114.2 Ų | 114.2 | 31% | 0.314 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -59.5 | -55 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E329 Q330 K335 K336 E337 | E329-A333 WeakPolarHBondContact O-CB 3.19Å; E329-A333 PolarHBondContact O-N 3.01Å; Q330-A333 PolarHBondContact O-N 3.36Å; A333-K335 VanDerWaalsContact C-N 3.27Å; A333-K335 PolarHBondContact O-N 3.47Å; A333-K336 CarbonylContact O-C 3.47Å; A333-K336 WeakPolarHBondContact O-CA 3.37Å; A333-K336 WeakPolarHBondContact O-CB 3.37Å; A333-K336 PolarHBondContact O-N 2.94Å; A333-E337 WeakPolarHBondContact O-CG 3.46Å; A333-E337 PolarHBondContact O-N 3.22Å |
| 334 | T | 92.9 | Very high | 92.1 | Very high | 56 Ų | 56 | 115.3 Ų | 115.3 | 34% | 0.344 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.8 | -31 | 177.8 | 52.4 | 0 | 0 | 0 | 0 | 113.8 | Q330 E337 K338 | Q330-T334 WeakPolarHBondContact O-CB 3.28Å; Q330-T334 WeakPolarHBondContact O-CG2 3.29Å; Q330-T334 PolarHBondContact O-N 2.85Å; Q330-T334 PolarHBondContact O-OG1 3.2Å; T334-E337 WeakPolarHBondContact CA-OE2 3.49Å; T334-K338 WeakPolarHBondContact O-CB 3.18Å; T334-K338 VanDerWaalsContact O-CG 3.27Å; T334-K338 WeakPolarHBondContact O-CG 3.41Å; T334-K338 PolarHBondContact O-N 3.05Å; T334-K338 VanDerWaalsContact O-N 3.09Å |
| 335 | K | 92.4 | Very high | 92 | Very high | 156 Ų | 156 | 113.6 Ų | 113.6 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -72.3 | -33.2 | 170.7 | -79 | -179.4 | -179.8 | -174.5 | 0 | 113 | N331 V332 A333 R339 | N331-K335 WeakPolarHBondContact O-CB 3.02Å; N331-K335 WeakPolarHBondContact O-CD 3.44Å; N331-K335 WeakPolarHBondContact O-CG 3.38Å; V332-K335 PolarHBondContact O-N 3.27Å; A333-K335 VanDerWaalsContact C-N 3.27Å; A333-K335 PolarHBondContact O-N 3.47Å; K335-R339 WeakPolarHBondContact O-CB 3.26Å; K335-R339 PolarHBondContact O-N 2.86Å; K335-R339 VanDerWaalsContact O-N 3.13Å |
| 336 | K | 93 | Very high | 91.7 | Very high | 118 Ų | 118 | 109.4 Ų | 109.4 | 51% | 0.513 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -72.6 | -44.5 | 175.3 | -176.2 | 176 | 176.3 | -68.6 | 0 | 111.1 | V332 A333 R339 E340 | V332-K336 WeakPolarHBondContact O-CB 3.34Å; V332-K336 PolarHBondContact O-N 2.98Å; A333-K336 CarbonylContact O-C 3.47Å; A333-K336 WeakPolarHBondContact O-CA 3.37Å; A333-K336 WeakPolarHBondContact O-CB 3.37Å; A333-K336 PolarHBondContact O-N 2.94Å; K336-R339 CarbonylContact O-C 3.57Å; K336-R339 WeakPolarHBondContact O-CB 3.13Å; K336-R339 PolarHBondContact O-N 3.02Å; K336-R339 VanDerWaalsContact O-N 3.16Å; K336-E340 VanDerWaalsContact CE-OE1 3.28Å; K336-E340 WeakPolarHBondContact CE-OE1 3.22Å; K336-E340 WeakPolarHBondContact CG-OE1 3.39Å; K336-E340 IonicContact NZ-OE1 3.91Å; K336-E340 PolarHBondContact NZ-OE1 2.95Å; K336-E340 IonicContact NZ-OE2 3.62Å; K336-E340 WeakPolarHBondContact O-CG 3.25Å; K336-E340 PolarHBondContact O-N 2.9Å |
| 337 | E | 93.6 | Very high | 91.3 | Very high | 103 Ų | 103 | 108 Ų | 108 | 48% | 0.481 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -56.3 | -54 | 173.8 | -71.9 | 154.6 | -169.5 | 0 | 0 | 110.8 | A333 T334 R339 E340 E341 | A333-E337 WeakPolarHBondContact O-CG 3.46Å; A333-E337 PolarHBondContact O-N 3.22Å; T334-E337 WeakPolarHBondContact CA-OE2 3.49Å; E337-R339 VanDerWaalsContact C-N 3.26Å; E337-R339 PolarHBondContact O-N 3.08Å; E337-E340 CarbonylContact O-C 3.51Å; E337-E340 WeakPolarHBondContact O-CA 3.29Å; E337-E340 PolarHBondContact O-N 2.79Å; E337-E341 PolarHBondContact O-N 3.27Å |
| 338 | K | 92.5 | Very high | 91 | Very high | 134 Ų | 134 | 110.2 Ų | 110.2 | 58% | 0.583 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.2 | -32.4 | 175.7 | -72 | 175.2 | 179.8 | -176.4 | 0 | 113.4 | T334 N342 | T334-K338 WeakPolarHBondContact O-CB 3.18Å; T334-K338 VanDerWaalsContact O-CG 3.27Å; T334-K338 WeakPolarHBondContact O-CG 3.41Å; T334-K338 PolarHBondContact O-N 3.05Å; T334-K338 VanDerWaalsContact O-N 3.09Å; K338-N342 WeakPolarHBondContact O-CB 3.49Å; K338-N342 PolarHBondContact O-N 3.34Å; K338-N342 PolarHBondContact O-OD1 3.27Å |
| 339 | R | 90.7 | Very high | 90.7 | Very high | 204 Ų | 204 | 105.7 Ų | 105.7 | 77% | 0.77 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -71.4 | -34.4 | 173.7 | -169.3 | 176.8 | -174.1 | -176.7 | 3 | 112.1 | K335 K336 E337 K343 | K335-R339 WeakPolarHBondContact O-CB 3.26Å; K335-R339 PolarHBondContact O-N 2.86Å; K335-R339 VanDerWaalsContact O-N 3.13Å; K336-R339 CarbonylContact O-C 3.57Å; K336-R339 WeakPolarHBondContact O-CB 3.13Å; K336-R339 PolarHBondContact O-N 3.02Å; K336-R339 VanDerWaalsContact O-N 3.16Å; E337-R339 VanDerWaalsContact C-N 3.26Å; E337-R339 PolarHBondContact O-N 3.08Å; R339-K343 WeakPolarHBondContact O-CB 3.47Å; R339-K343 PolarHBondContact O-N 2.78Å |
| 340 | E | 92.1 | Very high | 90.1 | Very high | 94 Ų | 94 | 105.3 Ų | 105.3 | 44% | 0.439 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -75.9 | -37.5 | 176.1 | -75.9 | 171.6 | -158.2 | 0 | 0 | 112.1 | K336 E337 K343 K344 | K336-E340 VanDerWaalsContact CE-OE1 3.28Å; K336-E340 WeakPolarHBondContact CE-OE1 3.22Å; K336-E340 WeakPolarHBondContact CG-OE1 3.39Å; K336-E340 IonicContact NZ-OE1 3.91Å; K336-E340 PolarHBondContact NZ-OE1 2.95Å; K336-E340 IonicContact NZ-OE2 3.62Å; K336-E340 WeakPolarHBondContact O-CG 3.25Å; K336-E340 PolarHBondContact O-N 2.9Å; E337-E340 CarbonylContact O-C 3.51Å; E337-E340 WeakPolarHBondContact O-CA 3.29Å; E337-E340 PolarHBondContact O-N 2.79Å; E340-K343 PolarHBondContact O-N 3.19Å; E340-K344 WeakPolarHBondContact O-CG 3.38Å; E340-K344 PolarHBondContact O-N 2.94Å |
| 341 | E | 92.3 | Very high | 89.4 | Confident | 98 Ų | 98 | 106.6 Ų | 106.6 | 46% | 0.458 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -49.7 | 168.8 | -73.3 | -179.8 | -173.5 | 0 | 0 | 111.9 | E337 K343 K344 K345 | E337-E341 PolarHBondContact O-N 3.27Å; E341-K343 PolarHBondContact O-N 3.42Å; E341-K344 PolarHBondContact O-N 3.43Å; E341-K344 VanDerWaalsContact O-N 3.14Å; E341-K345 WeakPolarHBondContact O-CG 3.19Å; E341-K345 PolarHBondContact O-N 3.02Å |
| 342 | N | 89.8 | Confident | 88.5 | Confident | 103 Ų | 103 | 108.3 Ų | 108.3 | 55% | 0.551 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -34.3 | 177.2 | -73.2 | -1.2 | 0 | 0 | 0 | 111.4 | K338 S346 | K338-N342 WeakPolarHBondContact O-CB 3.49Å; K338-N342 PolarHBondContact O-N 3.34Å; K338-N342 PolarHBondContact O-OD1 3.27Å; N342-S346 VanDerWaalsContact O-CB 3.23Å; N342-S346 WeakPolarHBondContact O-CB 3.26Å; N342-S346 PolarHBondContact O-N 2.88Å |
| 343 | K | 90.3 | Very high | 87.5 | Confident | 143 Ų | 143 | 111.4 Ų | 111.4 | 62% | 0.622 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.4 | -38.8 | 173.3 | -169 | 174.7 | -177 | -179.1 | 0 | 112.5 | R339 E340 E341 L347 | R339-K343 WeakPolarHBondContact O-CB 3.47Å; R339-K343 PolarHBondContact O-N 2.78Å; E340-K343 PolarHBondContact O-N 3.19Å; E341-K343 PolarHBondContact O-N 3.42Å; K343-L347 HydrophobicContact CG-CD1 4.24Å; K343-L347 WeakPolarHBondContact O-CB 3.31Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.37Å; K343-L347 PolarHBondContact O-N 3.06Å |
| 344 | K | 90.4 | Very high | 86.3 | Confident | 133 Ų | 133 | 115.4 Ų | 115.4 | 58% | 0.578 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -62.8 | -51.8 | 173 | -74.4 | 175.3 | -179.2 | -179.4 | 0 | 111.2 | E340 E341 S346 L347 E348 | E340-K344 WeakPolarHBondContact O-CG 3.38Å; E340-K344 PolarHBondContact O-N 2.94Å; E341-K344 PolarHBondContact O-N 3.43Å; E341-K344 VanDerWaalsContact O-N 3.14Å; K344-S346 VanDerWaalsContact C-N 3.28Å; K344-S346 PolarHBondContact O-N 2.86Å; K344-L347 CarbonylContact O-C 3.4Å; K344-L347 WeakPolarHBondContact O-CB 3.2Å; K344-L347 PolarHBondContact O-N 2.97Å; K344-E348 WeakPolarHBondContact O-CB 3.31Å; K344-E348 WeakPolarHBondContact O-CG 3.29Å; K344-E348 PolarHBondContact O-N 3.33Å |
| 345 | K | 89.3 | Confident | 85 | Confident | 124 Ų | 124 | 115 Ų | 115 | 54% | 0.539 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -58.3 | -37.8 | 177.4 | -69.4 | 170.4 | -178.3 | 169.6 | 0 | 112.6 | E341 G349 | E341-K345 WeakPolarHBondContact O-CG 3.19Å; E341-K345 PolarHBondContact O-N 3.02Å; K345-G349 PolarHBondContact O-N 3.07Å |
| 346 | S | 85.4 | Confident | 83.5 | Confident | 68 Ų | 68 | 111.9 Ų | 111.9 | 48% | 0.476 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -64.8 | -45.4 | 172.7 | 170.5 | 0 | 0 | 0 | 0 | 112.3 | N342 K344 G349 I350 | N342-S346 VanDerWaalsContact O-CB 3.23Å; N342-S346 WeakPolarHBondContact O-CB 3.26Å; N342-S346 PolarHBondContact O-N 2.88Å; K344-S346 VanDerWaalsContact C-N 3.28Å; K344-S346 PolarHBondContact O-N 2.86Å; S346-G349 PolarHBondContact O-N 3.4Å; S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 3.4Å; S346-I350 PolarHBondContact O-N 2.95Å |
| 347 | L | 84.3 | Confident | 81.9 | Confident | 91 Ų | 91 | 109.6 Ų | 109.6 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.2 | -35.8 | 176 | -71.4 | 166.4 | 0 | 0 | 0 | 112.7 | K343 K344 K351 | K343-L347 HydrophobicContact CG-CD1 4.24Å; K343-L347 WeakPolarHBondContact O-CB 3.31Å; K343-L347 VanDerWaalsContact O-CG 3.27Å; K343-L347 WeakPolarHBondContact O-CG 3.37Å; K343-L347 PolarHBondContact O-N 3.06Å; K344-L347 CarbonylContact O-C 3.4Å; K344-L347 WeakPolarHBondContact O-CB 3.2Å; K344-L347 PolarHBondContact O-N 2.97Å; L347-K351 WeakPolarHBondContact O-CB 3.43Å; L347-K351 WeakPolarHBondContact O-CG 3.43Å; L347-K351 PolarHBondContact O-N 3.21Å |
| 348 | E | 84.8 | Confident | 80.1 | Confident | 114 Ų | 114 | 112 Ų | 112 | 53% | 0.533 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -67.1 | -42.1 | 173.9 | -73.4 | 154 | -166 | 0 | 0 | 111.3 | K344 K351 K352 | K344-E348 WeakPolarHBondContact O-CB 3.31Å; K344-E348 WeakPolarHBondContact O-CG 3.29Å; K344-E348 PolarHBondContact O-N 3.33Å; E348-K351 PolarHBondContact O-N 2.93Å; E348-K352 PolarHBondContact O-N 3.18Å |
| 349 | G | 83.3 | Confident | 78.1 | Confident | 37 Ų | 37 | 113.5 Ų | 113.5 | 38% | 0.381 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.1 | -38.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K345 S346 K352 K353 | K345-G349 PolarHBondContact O-N 3.07Å; S346-G349 PolarHBondContact O-N 3.4Å; G349-K352 PolarHBondContact O-N 3.32Å; G349-K353 PolarHBondContact O-N 2.77Å; G349-K353 VanDerWaalsContact O-N 3.09Å |
| 350 | I | 81.4 | Confident | 76 | Confident | 87 Ų | 87 | 111 Ų | 111 | 45% | 0.446 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.8 | -47.4 | 172.5 | -68.9 | 162.6 | 0 | 0 | 0 | 110.2 | S346 K352 K353 Q354 | S346-I350 VanDerWaalsContact O-CG1 3.31Å; S346-I350 WeakPolarHBondContact O-CG1 3.4Å; S346-I350 PolarHBondContact O-N 2.95Å; I350-K352 VanDerWaalsContact C-N 3.35Å; I350-K352 PolarHBondContact O-N 3.47Å; I350-K353 PolarHBondContact O-N 2.84Å; I350-Q354 WeakPolarHBondContact O-CG 3.33Å; I350-Q354 PolarHBondContact O-N 3.33Å |
| 351 | K | 78.1 | Confident | 73.8 | Confident | 150 Ų | 150 | 110.6 Ų | 110.6 | 65% | 0.652 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -59.9 | -41 | 176.6 | -79.1 | -176.3 | 171.8 | -162.3 | 0 | 113.1 | L347 E348 Q354 A355 | L347-K351 WeakPolarHBondContact O-CB 3.43Å; L347-K351 WeakPolarHBondContact O-CG 3.43Å; L347-K351 PolarHBondContact O-N 3.21Å; E348-K351 PolarHBondContact O-N 2.93Å; K351-Q354 PolarHBondContact O-N 2.71Å; K351-A355 PolarHBondContact O-N 2.65Å |
| 352 | K | 76.1 | Confident | 71.4 | Confident | 133 Ų | 133 | 115.2 Ų | 115.2 | 58% | 0.578 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.3 | -41.8 | 178.2 | -162.3 | 175.7 | -168.8 | -74.2 | 0 | 111.2 | E348 G349 I350 Q354 A355 E356 | E348-K352 PolarHBondContact O-N 3.18Å; G349-K352 PolarHBondContact O-N 3.32Å; I350-K352 VanDerWaalsContact C-N 3.35Å; I350-K352 PolarHBondContact O-N 3.47Å; K352-Q354 VanDerWaalsContact C-N 3.3Å; K352-Q354 PolarHBondContact O-N 2.87Å; K352-A355 PolarHBondContact O-N 2.95Å; K352-E356 IonicContact NZ-OE1 3.69Å; K352-E356 PolarHBondContact NZ-OE1 3.49Å; K352-E356 WeakPolarHBondContact O-CB 3.2Å; K352-E356 VanDerWaalsContact O-CG 3.29Å; K352-E356 WeakPolarHBondContact O-CG 3.27Å; K352-E356 PolarHBondContact O-N 2.92Å |
| 353 | K | 72.7 | Confident | 69.2 | Low | 156 Ų | 156 | 116.8 Ų | 116.8 | 68% | 0.678 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -63.4 | -31.5 | 172.1 | -77.6 | -169.8 | 169.9 | -163.7 | 0 | 114 | G349 I350 A357 | G349-K353 PolarHBondContact O-N 2.77Å; G349-K353 VanDerWaalsContact O-N 3.09Å; I350-K353 PolarHBondContact O-N 2.84Å; K353-A357 WeakPolarHBondContact O-CB 3.4Å; K353-A357 PolarHBondContact O-N 2.94Å |
| 354 | Q | 66.3 | Low | 66.7 | Low | 122 Ų | 122 | 119 Ų | 119 | 57% | 0.57 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -71.2 | -43 | 173.6 | -71 | -173.6 | -80.1 | 0 | 0 | 111.3 | I350 K351 K352 A357 E358 | I350-Q354 WeakPolarHBondContact O-CG 3.33Å; I350-Q354 PolarHBondContact O-N 3.33Å; K351-Q354 PolarHBondContact O-N 2.71Å; K352-Q354 VanDerWaalsContact C-N 3.3Å; K352-Q354 PolarHBondContact O-N 2.87Å; Q354-A357 CarbonylContact O-C 3.57Å; Q354-A357 PolarHBondContact O-N 2.98Å; Q354-A357 VanDerWaalsContact O-N 3.15Å; Q354-E358 PolarHBondContact O-N 3.01Å |
| 355 | A | 66.7 | Low | 64.1 | Low | 48 Ų | 48 | 119.9 Ų | 119.9 | 40% | 0.397 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -64.3 | -43.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | K351 K352 A357 E358 E359 | K351-A355 PolarHBondContact O-N 2.65Å; K352-A355 PolarHBondContact O-N 2.95Å; A355-A357 PolarHBondContact O-N 3.21Å; A355-E358 PolarHBondContact O-N 3.46Å; A355-E359 PolarHBondContact O-N 3.47Å |
| 356 | E | 61.1 | Low | 62.1 | Low | 89 Ų | 89 | 119.8 Ų | 119.8 | 42% | 0.416 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -61.4 | -23.4 | 173.9 | -71.8 | 165.3 | 171.3 | 0 | 0 | 112.6 | K352 | K352-E356 IonicContact NZ-OE1 3.69Å; K352-E356 PolarHBondContact NZ-OE1 3.49Å; K352-E356 WeakPolarHBondContact O-CB 3.2Å; K352-E356 VanDerWaalsContact O-CG 3.29Å; K352-E356 WeakPolarHBondContact O-CG 3.27Å; K352-E356 PolarHBondContact O-N 2.92Å |
| 357 | A | 59.7 | Low | 59.8 | Low | 70 Ų | 70 | 120.1 Ų | 120.1 | 58% | 0.579 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -93.2 | -9.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | K353 Q354 A355 | K353-A357 WeakPolarHBondContact O-CB 3.4Å; K353-A357 PolarHBondContact O-N 2.94Å; Q354-A357 CarbonylContact O-C 3.57Å; Q354-A357 PolarHBondContact O-N 2.98Å; Q354-A357 VanDerWaalsContact O-N 3.15Å; A355-A357 PolarHBondContact O-N 3.21Å |
| 358 | E | 54.8 | Low | 57.7 | Low | 154 Ų | 154 | 123.5 Ų | 123.5 | 72% | 0.72 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -91.2 | -21.4 | 166.3 | -72.3 | 178.7 | 137.3 | 0 | 0 | 111.5 | Q354 A355 S361 | Q354-E358 PolarHBondContact O-N 3.01Å; A355-E358 PolarHBondContact O-N 3.46Å; E358-S361 PolarHBondContact O-OG 3.3Å |
| 359 | E | 49.8 | Very low | 55.4 | Low | 166 Ų | 166 | 126.4 Ų | 126.4 | 78% | 0.776 | 68% | 0.677 | S | S | * | * | H | α-helix | trans | -84.8 | -26.4 | 178.9 | -164.2 | 166.8 | -159.6 | 0 | 0 | 112.9 | A355 S361 | A355-E359 PolarHBondContact O-N 3.47Å; E359-S361 PolarHBondContact O-N 3.26Å |
| 360 | D | 46.8 | Very low | 53.1 | Low | 151 Ų | 151 | 130.6 Ų | 130.6 | 81% | 0.807 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -94.8 | 30.1 | 179.8 | -160.4 | 30.5 | 0 | 0 | 0 | 113.1 | ||
| 361 | S | 45.6 | Very low | 51.2 | Low | 85 Ų | 85 | 133.5 Ų | 133.5 | 59% | 0.594 | 71% | 0.707 | S | S | * | * | trans | -120.7 | 21.9 | -173.5 | 81.2 | 0 | 0 | 0 | 0 | 115.7 | E358 E359 V363 | E358-S361 PolarHBondContact O-OG 3.3Å; E359-S361 PolarHBondContact O-N 3.26Å; S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 2.86Å | ||
| 362 | E | 42.8 | Very low | 49 | Very low | 196 Ų | 196 | 137.6 Ų | 137.6 | 92% | 0.916 | 72% | 0.718 | S | S | * | * | trans | -89.1 | 54.3 | 178.4 | -159.3 | 175.9 | -156.4 | 0 | 0 | 113 | ||||
| 363 | V | 43.5 | Very low | 47.2 | Very low | 136 Ų | 136 | 137 Ų | 137 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | -137.5 | 115.3 | 166.5 | -176.1 | 0 | 0 | 0 | 0 | 109.2 | S361 | S361-V363 VanDerWaalsContact C-N 3.31Å; S361-V363 PolarHBondContact O-N 2.86Å | ||
| 364 | E | 38.8 | Very low | 45.4 | Very low | 188 Ų | 188 | 133.7 Ų | 133.7 | 88% | 0.879 | 73% | 0.73 | S | S | * | * | trans | -72.6 | 131.7 | 179.1 | -65.8 | -174.2 | 108.7 | 0 | 0 | 112.7 | ||||
| 365 | D | 35.7 | Very low | 44.2 | Very low | 152 Ų | 152 | 132.9 Ų | 132.9 | 81% | 0.813 | 74% | 0.744 | S | S | * | * | trans | -133.6 | 106.5 | 153.5 | -172.4 | 15.4 | 0 | 0 | 0 | 109.5 | G367 | D365-G367 PolarHBondContact O-N 3.12Å; D365-G367 VanDerWaalsContact O-N 3.09Å | ||
| 366 | P | 46.8 | Very low | 42.9 | Very low | 123 Ų | 123 | 136.1 Ų | 136.1 | 80% | 0.799 | 76% | 0.758 | S | S | * | * | trans | -83.8 | 86.1 | -166.4 | 31.9 | -35.5 | 0 | 0 | 0 | 113.6 | ||||
| 367 | G | 36.5 | Very low | 41.8 | Very low | 75 Ų | 75 | 139.8 Ų | 139.8 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | -139.9 | 69 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.9 | D365 | D365-G367 PolarHBondContact O-N 3.12Å; D365-G367 VanDerWaalsContact O-N 3.09Å | ||
| 368 | M | 41.1 | Very low | 41 | Very low | 161 Ų | 161 | 141.5 Ų | 141.5 | 79% | 0.793 | 78% | 0.783 | S | S | * | * | trans | -88.5 | 128.1 | -171.1 | -175.2 | 64.4 | 166.7 | 0 | 0 | 115.2 | ||||
| 369 | Q | 35.1 | Very low | 40.5 | Very low | 176 Ų | 176 | 139.5 Ų | 139.5 | 82% | 0.822 | 78% | 0.778 | S | S | * | * | trans | -172.2 | 109.8 | 131.8 | -106.4 | 167 | 34.6 | 0 | 0 | 115.8 | ||||
| 370 | D | 35.9 | Very low | 40.5 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | 64 | 106.6 | 135.2 | -59.4 | -6.2 | 0 | 0 | 0 | 123.7 | ||||
| 371 | D | 41.2 | Very low | 40.9 | Very low | 149 Ų | 149 | 135.7 Ų | 135.7 | 80% | 0.797 | 76% | 0.763 | S | S | * | * | 74.9 | 77.2 | 120.2 | -139.8 | -8 | 0 | 0 | 0 | 119.5 | |||||
| 372 | R | 31.7 | Very low | 41.6 | Very low | 235 Ų | 235 | 132.6 Ų | 132.6 | 89% | 0.887 | 74% | 0.74 | S | S | * | * | trans | -138.9 | 129.6 | 144.5 | -64.3 | -171.2 | -176.8 | 156.6 | 9.8 | 110.7 | A374 | R372-A374 PolarHBondContact O-N 3.34Š| ||
| 373 | P | 38.1 | Very low | 42.3 | Very low | 120 Ų | 120 | 128.1 Ų | 128.1 | 78% | 0.779 | 72% | 0.719 | S | S | * | * | trans | -67.3 | 125.4 | 175.4 | 27.1 | -33.7 | 0 | 0 | 0 | 110.7 | A375 | P373-A375 PolarHBondContact O-N 3.18Š| ||
| 374 | A | 35 | Very low | 43.3 | Very low | 88 Ų | 88 | 129.7 Ų | 129.7 | 73% | 0.727 | 71% | 0.711 | S | S | * | * | trans | -67.1 | 112.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | R372 V376 | R372-A374 PolarHBondContact O-N 3.34Å; A374-V376 VanDerWaalsContact C-N 3.33Å; A374-V376 HydrophobicContact CB-CG2 4.12Å; A374-V376 PolarHBondContact O-N 3.48Å | ||
| 375 | A | 41.6 | Very low | 44.7 | Very low | 105 Ų | 105 | 124 Ų | 124 | 87% | 0.868 | 68% | 0.682 | S | S | * | * | trans | -81.1 | 80.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110 | P373 E377 | P373-A375 PolarHBondContact O-N 3.18Å; A375-E377 PolarHBondContact O-N 3.12Å | ||
| 376 | V | 38.7 | Very low | 46.7 | Very low | 115 Ų | 115 | 122 Ų | 122 | 70% | 0.697 | 66% | 0.664 | S | S | * | * | trans | -80 | 102.4 | -179.9 | -174 | 0 | 0 | 0 | 0 | 110.5 | A374 | A374-V376 VanDerWaalsContact C-N 3.33Å; A374-V376 HydrophobicContact CB-CG2 4.12Å; A374-V376 PolarHBondContact O-N 3.48Å | ||
| 377 | E | 39 | Very low | 47.7 | Very low | 167 Ų | 167 | 124.2 Ų | 124.2 | 78% | 0.78 | 66% | 0.663 | S | S | * | * | trans | 53 | 111.8 | 144.1 | -59.1 | 179.3 | 151.3 | 0 | 0 | 119.2 | A375 | A375-E377 PolarHBondContact O-N 3.12Š| ||
| 378 | S | 43.5 | Very low | 49.2 | Very low | 105 Ų | 105 | 123.9 Ų | 123.9 | 73% | 0.734 | 65% | 0.653 | S | S | * | * | trans | -132.5 | 23.8 | 165.6 | 77.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 379 | D | 43.8 | Very low | 50.4 | Low | 113 Ų | 113 | 119.6 Ų | 119.6 | 60% | 0.604 | 64% | 0.636 | S | S | * | * | trans | -96.4 | -23.5 | -178.2 | -85.4 | -36.5 | 0 | 0 | 0 | 113.1 | D381 V382 | D379-D381 VanDerWaalsContact C-N 3.32Å; D379-D381 PolarHBondContact O-N 3.31Å; D379-V382 PolarHBondContact O-N 3.26Å; D379-V382 VanDerWaalsContact O-N 3.14Å | ||
| 380 | D | 48.4 | Very low | 51.2 | Low | 126 Ų | 126 | 114.3 Ų | 114.3 | 67% | 0.674 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -57.5 | -37.4 | -178.1 | -102.5 | 12.1 | 0 | 0 | 0 | 114 | V382 E383 Y384 | D380-V382 PolarHBondContact O-N 3.4Å; D380-V382 VanDerWaalsContact O-N 3.13Å; D380-E383 PolarHBondContact O-N 3.32Å; D380-Y384 WeakPolarHBondContact O-CB 3.31Å; D380-Y384 PolarHBondContact O-N 3.02Å |
| 381 | D | 56.3 | Low | 52.4 | Low | 111 Ų | 111 | 115.1 Ų | 115.1 | 59% | 0.594 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -56.6 | -30.9 | 179.2 | -85.6 | -18.7 | 0 | 0 | 0 | 112.5 | D379 Y385 F398 | D379-D381 VanDerWaalsContact C-N 3.32Å; D379-D381 PolarHBondContact O-N 3.31Å; D381-Y385 WeakPolarHBondContact O-CB 3.08Å; D381-Y385 PolarHBondContact O-N 3.15Å; D381-F398 HydrophobicContact CB-CE1 3.77Å; D381-F398 HydrophobicContact CB-CZ 4.36Å |
| 382 | V | 59.3 | Low | 52.9 | Low | 19 Ų | 19 | 115.9 Ų | 115.9 | 12% | 0.115 | 63% | 0.627 | C | S | . | * | H | α-helix | trans | -81.4 | -38.8 | -178.5 | -179.6 | 0 | 0 | 0 | 0 | 111.3 | D379 D380 R386 P393 F398 | D379-V382 PolarHBondContact O-N 3.26Å; D379-V382 VanDerWaalsContact O-N 3.14Å; D380-V382 PolarHBondContact O-N 3.4Å; D380-V382 VanDerWaalsContact O-N 3.13Å; V382-R386 WeakPolarHBondContact O-CG 3Å; V382-R386 PolarHBondContact O-N 3.16Å; V382-R386 VanDerWaalsContact O-N 3.14Å; V382-P393 HydrophobicContact CG1-CG 4.27Å; V382-F398 HydrophobicContact CG2-CB 4.38Å; V382-F398 HydrophobicContact CG2-CD1 4.05Å; V382-F398 HydrophobicContact CG2-CD2 4.38Å; V382-F398 HydrophobicContact CG2-CE1 4.44Å; V382-F398 HydrophobicContact CG2-CG 4.02Å |
| 383 | E | 57.8 | Low | 54.1 | Low | 102 Ų | 102 | 105.9 Ų | 105.9 | 48% | 0.477 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.9 | -42.6 | 177 | -65.7 | -89 | 103 | 0 | 0 | 110.7 | D380 Y385 R386 Q387 | D380-E383 PolarHBondContact O-N 3.32Å; E383-Y385 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 2.59Å; E383-R386 WeakPolarHBondContact O-CB 3.37Å; E383-R386 PolarHBondContact O-N 3.48Å; E383-R386 IonicContact OE1-CZ 2.56Å; E383-R386 IonicContact OE1-NH1 3.88Å; E383-R386 PolarHBondContact OE1-NH1 3.41Å; E383-Q387 PolarHBondContact O-N 2.97Å |
| 384 | Y | 65.9 | Low | 55.2 | Low | 169 Ų | 169 | 106.2 Ų | 106.2 | 66% | 0.663 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.3 | -42.3 | 174 | -173.5 | -98.4 | 0 | 0 | 0 | 112 | D380 R386 Q387 A388 | D380-Y384 WeakPolarHBondContact O-CB 3.31Å; D380-Y384 PolarHBondContact O-N 3.02Å; Y384-R386 PolarHBondContact O-N 2.95Å; Y384-Q387 PolarHBondContact O-N 3.06Å; Y384-A388 HydrophobicContact CE1-CB 4.43Å; Y384-A388 VanDerWaalsContact O-CB 3.31Å; Y384-A388 WeakPolarHBondContact O-CB 3.32Å; Y384-A388 PolarHBondContact O-N 2.88Å |
| 385 | Y | 68.3 | Low | 56.3 | Low | 68 Ų | 68 | 109.2 Ų | 109.2 | 27% | 0.267 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -61.9 | -42.2 | 175.4 | -167.1 | -83.6 | 0 | 0 | 0 | 112.2 | D381 E383 A388 V389 P393 M397 | D381-Y385 WeakPolarHBondContact O-CB 3.08Å; D381-Y385 PolarHBondContact O-N 3.15Å; E383-Y385 VanDerWaalsContact C-N 3.35Å; E383-Y385 PolarHBondContact O-N 2.59Å; Y385-A388 PolarHBondContact O-N 2.78Å; Y385-V389 HydrophobicContact CD1-CB 4.27Å; Y385-V389 HydrophobicContact CD1-CG2 4.15Å; Y385-V389 HydrophobicContact CD2-CG2 4.12Å; Y385-V389 HydrophobicContact CE1-CB 4.01Å; Y385-V389 HydrophobicContact CE1-CG1 4.29Å; Y385-V389 HydrophobicContact CE1-CG2 4.04Å; Y385-V389 HydrophobicContact CE2-CG2 4.01Å; Y385-V389 HydrophobicContact CG-CG2 4.19Å; Y385-V389 WeakPolarHBondContact O-CB 3.41Å; Y385-V389 WeakPolarHBondContact O-CG2 3.42Å; Y385-V389 PolarHBondContact O-N 2.75Å; Y385-P393 HydrophobicContact CD1-CB 3.74Å; Y385-P393 HydrophobicContact CD1-CG 4.12Å; Y385-P393 HydrophobicContact CE1-CB 3.8Å; Y385-P393 HydrophobicContact CG-CB 4.25Å; Y385-M397 HydrophobicContact CE2-SD 4.05Å |
| 386 | R | 75.8 | Confident | 57.2 | Low | 112 Ų | 112 | 112 Ų | 112 | 42% | 0.423 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -61 | -44.8 | 175.7 | -72.9 | 170.2 | 178.9 | 151.4 | 4.8 | 111.8 | V382 E383 Y384 G390 | V382-R386 WeakPolarHBondContact O-CG 3Å; V382-R386 PolarHBondContact O-N 3.16Å; V382-R386 VanDerWaalsContact O-N 3.14Å; E383-R386 WeakPolarHBondContact O-CB 3.37Å; E383-R386 PolarHBondContact O-N 3.48Å; E383-R386 IonicContact OE1-CZ 2.56Å; E383-R386 IonicContact OE1-NH1 3.88Å; E383-R386 PolarHBondContact OE1-NH1 3.41Å; Y384-R386 PolarHBondContact O-N 2.95Å; R386-G390 WeakPolarHBondContact O-CA 3.4Å; R386-G390 PolarHBondContact O-N 2.96Å |
| 387 | Q | 68.7 | Low | 58.2 | Low | 169 Ų | 169 | 111 Ų | 111 | 79% | 0.79 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.6 | -42.4 | 178.6 | -70.7 | -171.5 | 4 | 0 | 0 | 112.7 | E383 Y384 | E383-Q387 PolarHBondContact O-N 2.97Å; Y384-Q387 PolarHBondContact O-N 3.06Å |
| 388 | A | 68.3 | Low | 59 | Low | 68 Ų | 68 | 106 Ų | 106 | 56% | 0.562 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.4 | -29.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.3 | Y384 Y385 | Y384-A388 HydrophobicContact CE1-CB 4.43Å; Y384-A388 VanDerWaalsContact O-CB 3.31Å; Y384-A388 WeakPolarHBondContact O-CB 3.32Å; Y384-A388 PolarHBondContact O-N 2.88Å; Y385-A388 PolarHBondContact O-N 2.78Å |
| 389 | V | 65.6 | Low | 59.4 | Low | 70 Ų | 70 | 107 Ų | 107 | 42% | 0.424 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -119.2 | -18.7 | -170.2 | -160.1 | 0 | 0 | 0 | 0 | 113.2 | Y385 Q391 | Y385-V389 HydrophobicContact CD1-CB 4.27Å; Y385-V389 HydrophobicContact CD1-CG2 4.15Å; Y385-V389 HydrophobicContact CD2-CG2 4.12Å; Y385-V389 HydrophobicContact CE1-CB 4.01Å; Y385-V389 HydrophobicContact CE1-CG1 4.29Å; Y385-V389 HydrophobicContact CE1-CG2 4.04Å; Y385-V389 HydrophobicContact CE2-CG2 4.01Å; Y385-V389 HydrophobicContact CG-CG2 4.19Å; Y385-V389 WeakPolarHBondContact O-CB 3.41Å; Y385-V389 WeakPolarHBondContact O-CG2 3.42Å; Y385-V389 PolarHBondContact O-N 2.75Å; V389-Q391 PolarHBondContact O-N 3.05Å |
| 390 | G | 52.3 | Low | 59.7 | Low | 66 Ų | 66 | 105.1 Ų | 105.1 | 68% | 0.68 | 56% | 0.563 | S | S | * | * | S | Bend | trans | 68.3 | 15.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | R386 | R386-G390 WeakPolarHBondContact O-CA 3.4Å; R386-G390 PolarHBondContact O-N 2.96Å |
| 391 | Q | 62.3 | Low | 60 | Low | 141 Ų | 141 | 102.4 Ų | 102.4 | 66% | 0.659 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -130.3 | 154.1 | 177.6 | -62 | -175.9 | 32.1 | 0 | 0 | 110 | V389 | V389-Q391 PolarHBondContact O-N 3.05Š|
| 392 | E | 50 | Low | 59.7 | Low | 164 Ų | 164 | 104.7 Ų | 104.7 | 77% | 0.766 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 133.1 | 169.9 | -64.2 | -169.1 | 133.8 | 0 | 0 | 109.4 | ||
| 393 | P | 56.9 | Low | 58.9 | Low | 26 Ų | 26 | 113.3 Ų | 113.3 | 17% | 0.169 | 60% | 0.599 | C | S | . | * | P | Polyproline II helix | trans | -70.5 | 142.8 | 179.4 | 27 | -32.9 | 0 | 0 | 0 | 112.1 | V382 Y385 F398 | V382-P393 HydrophobicContact CG1-CG 4.27Å; Y385-P393 HydrophobicContact CD1-CB 3.74Å; Y385-P393 HydrophobicContact CD1-CG 4.12Å; Y385-P393 HydrophobicContact CE1-CB 3.8Å; Y385-P393 HydrophobicContact CG-CB 4.25Å; P393-F398 HydrophobicContact CB-CD2 3.74Å; P393-F398 HydrophobicContact CB-CE2 3.69Å; P393-F398 HydrophobicContact CG-CD2 3.86Å; P393-F398 HydrophobicContact CG-CE2 4Å |
| 394 | D | 62.1 | Low | 57.9 | Low | 127 Ų | 127 | 120.4 Ų | 120.4 | 68% | 0.679 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -56.5 | 142.9 | 178.4 | -86.4 | -48.8 | 0 | 0 | 0 | 112.9 | D396 M397 | D394-D396 PolarHBondContact O-N 2.83Å; D394-M397 WeakPolarHBondContact O-CB 3.49Å; D394-M397 PolarHBondContact O-N 2.93Å |
| 395 | E | 57.8 | Low | 56.6 | Low | 151 Ų | 151 | 122.7 Ų | 122.7 | 71% | 0.706 | 63% | 0.629 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.8 | -19.5 | -175.4 | -68.6 | -160.9 | 111.3 | 0 | 0 | 114.8 | M397 K402 | E395-M397 VanDerWaalsContact C-N 3.33Å; E395-K402 IonicContact OE1-NZ 2.7Å; E395-K402 PolarHBondContact OE1-NZ 3.1Å |
| 396 | D | 60.6 | Low | 54.9 | Low | 164 Ų | 164 | 129.7 Ų | 129.7 | 88% | 0.877 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | -6.2 | 178.2 | -147.6 | 37.1 | 0 | 0 | 0 | 112.6 | D394 | D394-D396 PolarHBondContact O-N 2.83Š|
| 397 | M | 60.3 | Low | 53.8 | Low | 94 Ų | 94 | 129.6 Ų | 129.6 | 46% | 0.463 | 67% | 0.668 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.1 | -29.9 | -177.7 | -156.7 | 175.6 | -57.6 | 0 | 0 | 113.3 | Y385 D394 E395 | Y385-M397 HydrophobicContact CE2-SD 4.05Å; D394-M397 WeakPolarHBondContact O-CB 3.49Å; D394-M397 PolarHBondContact O-N 2.93Å; E395-M397 VanDerWaalsContact C-N 3.33Å |
| 398 | F | 55.3 | Low | 52.1 | Low | 62 Ų | 62 | 128.8 Ų | 128.8 | 27% | 0.272 | 66% | 0.664 | S | S | . | * | trans | -137 | 78 | -176.7 | -63.9 | -79.1 | 0 | 0 | 0 | 112.8 | D381 V382 P393 G400 | D381-F398 HydrophobicContact CB-CE1 3.77Å; D381-F398 HydrophobicContact CB-CZ 4.36Å; V382-F398 HydrophobicContact CG2-CB 4.38Å; V382-F398 HydrophobicContact CG2-CD1 4.05Å; V382-F398 HydrophobicContact CG2-CD2 4.38Å; V382-F398 HydrophobicContact CG2-CE1 4.44Å; V382-F398 HydrophobicContact CG2-CG 4.02Å; P393-F398 HydrophobicContact CB-CD2 3.74Å; P393-F398 HydrophobicContact CB-CE2 3.69Å; P393-F398 HydrophobicContact CG-CD2 3.86Å; P393-F398 HydrophobicContact CG-CE2 4Å; F398-G400 PolarHBondContact O-N 3Å; F398-G400 VanDerWaalsContact O-N 3.07Å | ||
| 399 | P | 52.8 | Low | 50.4 | Low | 126 Ų | 126 | 133.3 Ų | 133.3 | 82% | 0.818 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -0 | -168.7 | 27.9 | -35.9 | 0 | 0 | 0 | 116.5 | ||
| 400 | G | 48.6 | Very low | 49 | Very low | 73 Ų | 73 | 133.9 Ų | 133.9 | 75% | 0.753 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | -28.9 | -174.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | F398 K402 | F398-G400 PolarHBondContact O-N 3Å; F398-G400 VanDerWaalsContact O-N 3.07Å; G400-K402 VanDerWaalsContact C-N 3.34Å; G400-K402 PolarHBondContact O-N 2.82Å |
| 401 | A | 54.9 | Low | 48.1 | Very low | 68 Ų | 68 | 138.7 Ų | 138.7 | 56% | 0.562 | 68% | 0.683 | S | S | * | * | trans | -80.4 | 57.7 | -157.6 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 402 | K | 49.8 | Very low | 46.9 | Very low | 159 Ų | 159 | 137.5 Ų | 137.5 | 69% | 0.691 | 68% | 0.681 | S | S | * | * | trans | -134.7 | 79.4 | 179.9 | -75.1 | -178.1 | 177.6 | 163.8 | 0 | 115.3 | E395 G400 | E395-K402 IonicContact OE1-NZ 2.7Å; E395-K402 PolarHBondContact OE1-NZ 3.1Å; G400-K402 VanDerWaalsContact C-N 3.34Å; G400-K402 PolarHBondContact O-N 2.82Å | ||
| 403 | K | 42.7 | Very low | 46.3 | Very low | 201 Ų | 201 | 140.8 Ų | 140.8 | 87% | 0.874 | 69% | 0.687 | S | S | * | * | trans | -162.6 | 134.7 | 147.9 | -115.7 | 161.6 | -171.6 | 173.5 | 0 | 116.4 | ||||
| 404 | R | 36.4 | Very low | 45.3 | Very low | 250 Ų | 250 | 144.4 Ų | 144.4 | 94% | 0.943 | 72% | 0.719 | S | S | * | * | trans | 92.5 | 157.1 | 165 | -64.3 | 179.7 | 155.6 | 164.1 | -7.5 | 117.9 | ||||
| 405 | R | 38.8 | Very low | 44.3 | Very low | 218 Ų | 218 | 148.1 Ų | 148.1 | 82% | 0.823 | 73% | 0.729 | S | S | * | * | trans | -163.9 | 141.3 | -165.4 | -128.1 | -176.6 | -177.3 | -170 | 1.8 | 111 | ||||
| 406 | R | 33 | Very low | 43.1 | Very low | 215 Ų | 215 | 150.7 Ų | 150.7 | 81% | 0.811 | 74% | 0.738 | S | S | * | * | trans | 74 | 158.5 | 158.3 | -68.5 | -179.4 | 169 | -169.1 | -5.1 | 119.1 | ||||
| 407 | P | 53.7 | Low | 41.8 | Very low | 109 Ų | 109 | 153.5 Ų | 153.5 | 71% | 0.708 | 74% | 0.736 | S | S | * | * | cis | -141.2 | 176.8 | -29.7 | 37.4 | -19.2 | 0 | 0 | 0 | 116.9 | ||||
| 408 | E | 31.3 | Very low | 40.6 | Very low | 152 Ų | 152 | 157.1 Ų | 157.1 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | 74.9 | 164 | 169 | -59.6 | -150.8 | 111.1 | 0 | 0 | 116.4 | ||||
| 409 | K | 33.4 | Very low | 39.5 | Very low | 164 Ų | 164 | 162.2 Ų | 162.2 | 71% | 0.713 | 78% | 0.778 | S | S | * | * | cis | -166.5 | 171.3 | -4.9 | -116.1 | 163.2 | 180 | 144.5 | 0 | 106.9 | ||||
| 410 | S | 37 | Very low | 38.6 | Very low | 82 Ų | 82 | 161.1 Ų | 161.1 | 57% | 0.573 | 77% | 0.773 | S | S | * | * | cis | -172.8 | -179.7 | -31.1 | 49.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 411 | H | 33.2 | Very low | 38.5 | Very low | 167 Ų | 167 | 163.6 Ų | 163.6 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 76.2 | 151.3 | 174.2 | -62.1 | -62.7 | 0 | 0 | 0 | 118.6 | ||||
| 412 | D | 35.9 | Very low | 37.3 | Very low | 115 Ų | 115 | 164.1 Ų | 164.1 | 62% | 0.615 | 79% | 0.788 | S | S | * | * | cis | -167.7 | 137.3 | -36.4 | -126.2 | -58.7 | 0 | 0 | 0 | 113.2 | ||||
| 413 | R | 38.3 | Very low | 36.3 | Very low | 234 Ų | 234 | 166.2 Ų | 166.2 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | trans | 61.8 | 162.2 | 155.5 | -70.5 | 154.2 | -177.6 | -135.3 | -5.9 | 120.4 | ||||
| 414 | A | 35.4 | Very low | 35.5 | Very low | 102 Ų | 102 | 161.9 Ų | 161.9 | 84% | 0.843 | 79% | 0.792 | S | S | * | * | cis | -140.4 | -157.1 | 7.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 415 | K | 40.7 | Very low | 35.1 | Very low | 205 Ų | 205 | 155.1 Ų | 155.1 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -141.8 | 157.7 | -160.9 | -60 | 175.3 | 175.8 | 176.3 | 0 | 118.3 | ||||
| 416 | K | 32.4 | Very low | 34.5 | Very low | 205 Ų | 205 | 153.8 Ų | 153.8 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | trans | -167.4 | 116 | 141.7 | -98 | 167.1 | -175.9 | 178.8 | 0 | 109.3 | ||||
| 417 | R | 33.9 | Very low | 34.1 | Very low | 223 Ų | 223 | 152 Ų | 152 | 84% | 0.842 | 78% | 0.784 | S | S | * | * | 54 | 133.2 | 89.6 | -76.3 | -176.6 | 66.2 | 155.3 | -4.1 | 115.4 | |||||
| 418 | K | 35.7 | Very low | 33.3 | Very low | 170 Ų | 170 | 152.1 Ų | 152.1 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | cis | -172.7 | 143.8 | -5.4 | -135 | -165.4 | -173.6 | -163.4 | 0 | 111.2 | ||||
| 419 | L | 32.2 | Very low | 33.4 | Very low | 169 Ų | 169 | 152.2 Ų | 152.2 | 89% | 0.885 | 79% | 0.791 | S | S | * | * | trans | 170.6 | 177.9 | 132.7 | -89.9 | 167.7 | 0 | 0 | 0 | 112.4 | ||||
| 420 | S | 33.9 | Very low | 33.5 | Very low | 102 Ų | 102 | 149.3 Ų | 149.3 | 71% | 0.713 | 79% | 0.791 | S | S | * | * | trans | -153.6 | 176.5 | -150.8 | 59.1 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 421 | P | 45.4 | Very low | 33.1 | Very low | 126 Ų | 126 | 154.1 Ų | 154.1 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | cis | -150.9 | 164.4 | 23 | 43 | -21.5 | 0 | 0 | 0 | 121.9 | ||||
| 422 | G | 29.2 | Very low | 33.1 | Very low | 78 Ų | 78 | 151.1 Ų | 151.1 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 107.5 | 143.6 | 152.2 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 423 | K | 29.9 | Very low | 33.5 | Very low | 203 Ų | 203 | 150.9 Ų | 150.9 | 88% | 0.883 | 80% | 0.804 | S | S | * | * | cis | -165.3 | 127.3 | -8.6 | -170.5 | 177.7 | -173.8 | 177 | 0 | 110.8 | ||||
| 424 | S | 26.6 | Very low | 33 | Very low | 111 Ų | 111 | 149.1 Ų | 149.1 | 78% | 0.776 | 80% | 0.803 | S | S | * | * | trans | 142 | 138.6 | 147.1 | 66.1 | 0 | 0 | 0 | 0 | 119 | ||||
| 425 | S | 26.8 | Very low | 32.6 | Very low | 108 Ų | 108 | 154.5 Ų | 154.5 | 76% | 0.755 | 80% | 0.801 | S | S | * | * | trans | 78.7 | 121.4 | 152.2 | 77.7 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 426 | K | 25.5 | Very low | 32 | Very low | 190 Ų | 190 | 154.4 Ų | 154.4 | 83% | 0.826 | 80% | 0.801 | S | S | * | * | trans | 66.7 | 115.7 | 142.9 | -69.5 | -176.7 | 175.6 | 178.3 | 0 | 124.9 | ||||
| 427 | Q | 24.7 | Very low | 31.6 | Very low | 176 Ų | 176 | 148.1 Ų | 148.1 | 82% | 0.822 | 79% | 0.794 | S | S | * | * | trans | 69.6 | 171.3 | 138.5 | -69.6 | -168 | -36.8 | 0 | 0 | 119.7 | ||||
| 428 | P | 37.5 | Very low | 31.2 | Very low | 113 Ų | 113 | 142.5 Ų | 142.5 | 73% | 0.734 | 80% | 0.795 | S | S | * | * | -133.4 | -161.5 | -54.6 | 41.4 | -25.6 | 0 | 0 | 0 | 113.9 | |||||
| 429 | D | 34.8 | Very low | 30.6 | Very low | 154 Ų | 154 | 143.7 Ų | 143.7 | 82% | 0.824 | 81% | 0.806 | S | S | * | * | trans | -85.1 | 164.8 | -161.6 | -46.7 | -96.2 | 0 | 0 | 0 | 119.9 | ||||
| 430 | S | 34.9 | Very low | 30.4 | Very low | 102 Ų | 102 | 139.1 Ų | 139.1 | 71% | 0.713 | 80% | 0.799 | S | S | * | * | trans | 176.7 | 158.9 | 134.5 | 52.1 | 0 | 0 | 0 | 0 | 110 | ||||
| 431 | K | 27.9 | Very low | 30.1 | Very low | 183 Ų | 183 | 143.3 Ų | 143.3 | 80% | 0.796 | 81% | 0.807 | S | S | * | * | cis | -145.1 | 145.3 | 31.2 | -68.4 | 169.1 | -177.7 | 172.6 | 0 | 109.6 | ||||
| 432 | S | 32.5 | Very low | 29.2 | Very low | 105 Ų | 105 | 146 Ų | 146 | 73% | 0.734 | 81% | 0.809 | S | S | * | * | 65 | 137.9 | 67.6 | -35.4 | 0 | 0 | 0 | 0 | 114.2 | |||||
| 433 | P | 45.2 | Very low | 29 | Very low | 109 Ų | 109 | 152.7 Ų | 152.7 | 71% | 0.708 | 81% | 0.81 | S | S | * | * | -155.6 | 154 | 76.7 | 40 | -20.3 | 0 | 0 | 0 | 120.2 | |||||
| 434 | K | 28.1 | Very low | 29 | Very low | 198 Ų | 198 | 149.2 Ų | 149.2 | 86% | 0.861 | 80% | 0.801 | S | S | * | * | trans | 67.3 | 162.1 | 154 | -67.5 | 169.3 | 179.7 | 173.1 | 0 | 116.2 | ||||
| 435 | R | 26.5 | Very low | 29.1 | Very low | 214 Ų | 214 | 152.8 Ų | 152.8 | 81% | 0.808 | 80% | 0.802 | S | S | * | * | cis | -158.8 | 138.3 | 10.8 | -145.3 | 177.8 | -177.4 | 178.5 | 0.6 | 111.1 | ||||
| 436 | K | 28.2 | Very low | 29.1 | Very low | 204 Ų | 204 | 154.2 Ų | 154.2 | 89% | 0.887 | 81% | 0.807 | S | S | * | * | trans | 60.4 | 164.1 | 171.2 | -57.3 | -178.6 | 178.8 | -175.1 | 0 | 115.2 | ||||
| 437 | G | 24.2 | Very low | 29.3 | Very low | 72 Ų | 72 | 148.4 Ų | 148.4 | 74% | 0.742 | 80% | 0.801 | S | S | * | * | cis | 165.6 | 145.7 | -14.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 438 | A | 25.1 | Very low | 29.4 | Very low | 106 Ų | 106 | 150.6 Ų | 150.6 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | trans | 73.8 | 167.4 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 439 | M | 24.7 | Very low | 29.1 | Very low | 195 Ų | 195 | 149.7 Ų | 149.7 | 96% | 0.961 | 81% | 0.809 | S | S | * | * | trans | -18.8 | 159.6 | 174.3 | -58.3 | 173.2 | -178.3 | 0 | 0 | 119.4 | ||||
| 440 | G | 27 | Very low | 29.7 | Very low | 72 Ų | 72 | 147.2 Ų | 147.2 | 74% | 0.742 | 80% | 0.802 | S | S | * | * | cis | 166.3 | 179.2 | 4.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | H442 | G440-H442 PolarHBondContact O-N 2.72Š| ||
| 441 | H | 27.7 | Very low | 29.5 | Very low | 191 Ų | 191 | 151.2 Ų | 151.2 | 88% | 0.884 | 81% | 0.809 | S | S | * | * | trans | -75.9 | 117.8 | 177.6 | -79.4 | -86.1 | 0 | 0 | 0 | 112.5 | ||||
| 442 | H | 27.1 | Very low | 29.6 | Very low | 183 Ų | 183 | 145.4 Ų | 145.4 | 85% | 0.847 | 80% | 0.8 | S | S | * | * | 178.5 | 125 | 119.9 | -113.8 | -83.3 | 0 | 0 | 0 | 113.4 | G440 | G440-H442 PolarHBondContact O-N 2.72Š| |||
| 443 | R | 24.9 | Very low | 29.6 | Very low | 218 Ų | 218 | 151.1 Ų | 151.1 | 82% | 0.823 | 81% | 0.812 | S | S | * | * | trans | -161 | 151 | 153.8 | -99.1 | -169.3 | 143.3 | 150.5 | 5.1 | 107.6 | ||||
| 444 | D | 29.9 | Very low | 28.8 | Very low | 130 Ų | 130 | 149.6 Ų | 149.6 | 70% | 0.695 | 82% | 0.816 | S | S | * | * | cis | -141.3 | 170.5 | 6.1 | -116.2 | -41 | 0 | 0 | 0 | 113.1 | ||||
| 445 | K | 28.6 | Very low | 28.8 | Very low | 186 Ų | 186 | 150.3 Ų | 150.3 | 81% | 0.809 | 81% | 0.813 | S | S | * | * | trans | -99.9 | 133.2 | 170.9 | -94.3 | -177.4 | 175.6 | 178.1 | 0 | 111.2 | ||||
| 446 | T | 26.3 | Very low | 29 | Very low | 138 Ų | 138 | 147.7 Ų | 147.7 | 85% | 0.847 | 81% | 0.808 | S | S | * | * | trans | 39.6 | 116.4 | 142.8 | 60.8 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 447 | G | 28.8 | Very low | 29.1 | Very low | 68 Ų | 68 | 147.4 Ų | 147.4 | 70% | 0.701 | 81% | 0.807 | S | S | * | * | trans | -176.2 | 97.9 | 155.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 448 | K | 28.3 | Very low | 29.3 | Very low | 222 Ų | 222 | 148.9 Ų | 148.9 | 97% | 0.965 | 81% | 0.806 | S | S | * | * | 65 | 134.2 | 93.5 | -79.6 | -168 | 174 | -175.5 | 0 | 114.7 | |||||
| 449 | A | 29.8 | Very low | 29.4 | Very low | 94 Ų | 94 | 152 Ų | 152 | 78% | 0.777 | 80% | 0.799 | S | S | * | * | trans | -108.7 | -154.5 | -172.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 450 | P | 47.7 | Very low | 29.6 | Very low | 102 Ų | 102 | 148.3 Ų | 148.3 | 66% | 0.662 | 78% | 0.783 | S | S | * | * | cis | -142.8 | -171.2 | 2.6 | 28.8 | -1.2 | 0 | 0 | 0 | 117.2 | ||||
| 451 | H | 30.9 | Very low | 29.5 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 148.9 | 167.1 | -57.9 | -72.3 | 0 | 0 | 0 | 119 | ||||
| 452 | G | 30.4 | Very low | 29.7 | Very low | 60 Ų | 60 | 152.9 Ų | 152.9 | 62% | 0.619 | 79% | 0.786 | S | S | * | * | cis | 169 | 164.4 | -9.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 453 | K | 31.9 | Very low | 29.8 | Very low | 226 Ų | 226 | 154.3 Ų | 154.3 | 98% | 0.983 | 79% | 0.79 | S | S | * | * | trans | 70.6 | 143.6 | -174 | -46.7 | 170.5 | -175.9 | 176.3 | 0 | 112.7 | ||||
| 454 | G | 28.8 | Very low | 29.9 | Very low | 76 Ų | 76 | 150.1 Ų | 150.1 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | cis | 177.6 | 179.5 | -3.5 | 0 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 455 | W | 28 | Very low | 29.8 | Very low | 213 Ų | 213 | 154 Ų | 154 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | cis | -172 | 113.5 | -14.6 | -176.8 | 66.8 | 0 | 0 | 0 | 110.7 | ||||
| 456 | K | 31.4 | Very low | 29.8 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 69% | 0.691 | 80% | 0.802 | S | S | * | * | trans | 71.6 | 149.1 | 179.9 | -52.2 | 162.3 | 176.2 | 165.8 | 0 | 114.3 | ||||
| 457 | K | 29.7 | Very low | 29.9 | Very low | 199 Ų | 199 | 149.9 Ų | 149.9 | 87% | 0.865 | 80% | 0.801 | S | S | * | * | cis | -133.4 | 170.1 | 3.1 | -99.8 | -176.8 | 175.3 | 174.9 | 0 | 107.4 | ||||
| 458 | S | 28.7 | Very low | 30 | Very low | 103 Ų | 103 | 156.6 Ų | 156.6 | 72% | 0.72 | 81% | 0.811 | S | S | * | * | cis | -168.8 | -175 | -12.1 | 49.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 459 | K | 27.1 | Very low | 30 | Very low | 171 Ų | 171 | 157.5 Ų | 157.5 | 74% | 0.743 | 81% | 0.808 | S | S | * | * | trans | -18 | 145.9 | 155.5 | -94.8 | 179.6 | 133 | -110 | 0 | 117.6 | ||||
| 460 | D | 27.7 | Very low | 30.4 | Very low | 117 Ų | 117 | 164.5 Ų | 164.5 | 63% | 0.626 | 81% | 0.814 | S | S | * | * | cis | -153.2 | 174.6 | 34.9 | -111.1 | -45.7 | 0 | 0 | 0 | 115.3 | ||||
| 461 | E | 26.3 | Very low | 30.1 | Very low | 181 Ų | 181 | 165.3 Ų | 165.3 | 85% | 0.846 | 82% | 0.82 | S | S | * | * | trans | 72.4 | 162.2 | 158.7 | -74.1 | -165.8 | 138.4 | 0 | 0 | 125 | ||||
| 462 | E | 30.4 | Very low | 30.7 | Very low | 179 Ų | 179 | 162.1 Ų | 162.1 | 84% | 0.836 | 82% | 0.815 | S | S | * | * | trans | 39.9 | 110.9 | 178.1 | -64.7 | -148.9 | 112.1 | 0 | 0 | 122.7 | ||||
| 463 | K | 29.2 | Very low | 30.6 | Very low | 213 Ų | 213 | 162.9 Ų | 162.9 | 93% | 0.926 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -86.4 | 121.2 | 160.6 | -71.5 | 178.5 | 179.2 | 173.7 | 0 | 111.1 | ||
| 464 | T | 27.3 | Very low | 30.4 | Very low | 130 Ų | 130 | 161.9 Ų | 161.9 | 80% | 0.798 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.4 | 163.8 | 174.6 | 41.6 | 0 | 0 | 0 | 0 | 114.1 | G466 | T464-G466 PolarHBondContact O-N 3.46Š|
| 465 | F | 27.5 | Very low | 30.4 | Very low | 211 Ų | 211 | 162.4 Ų | 162.4 | 93% | 0.925 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -49.1 | 120.5 | -173 | -79 | -110.7 | 0 | 0 | 0 | 115.9 | ||
| 466 | G | 28.9 | Very low | 30.3 | Very low | 83 Ų | 83 | 162.5 Ų | 162.5 | 86% | 0.856 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -85.9 | 121.5 | 163.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T464 | T464-G466 PolarHBondContact O-N 3.46Š|
| 467 | N | 29.8 | Very low | 30.1 | Very low | 155 Ų | 155 | 157.5 Ų | 157.5 | 83% | 0.829 | 82% | 0.817 | S | S | * | * | trans | -106.1 | 125.2 | -174.4 | -171.1 | -2.9 | 0 | 0 | 0 | 112 | ||||
| 468 | K | 30.6 | Very low | 30.2 | Very low | 208 Ų | 208 | 153.6 Ų | 153.6 | 90% | 0.904 | 81% | 0.814 | S | S | * | * | trans | -121.1 | 101.9 | 178.7 | -88.6 | -168.9 | 175.2 | -177.9 | 0 | 114.3 | ||||
| 469 | R | 28 | Very low | 30.3 | Very low | 242 Ų | 242 | 157.7 Ų | 157.7 | 91% | 0.913 | 82% | 0.819 | S | S | * | * | trans | -11.2 | 131.5 | 157.3 | -60.4 | 175.7 | 178.2 | -177.4 | -3.4 | 119 | ||||
| 470 | R | 38.3 | Very low | 30.3 | Very low | 240 Ų | 240 | 159 Ų | 159 | 91% | 0.906 | 83% | 0.825 | S | S | * | * | trans | -78.2 | 166.9 | 141.1 | -76.9 | 179.9 | 169.3 | -169.9 | -4.7 | 109.2 | ||||
| 471 | P | 42.2 | Very low | 30.3 | Very low | 120 Ų | 120 | 158.6 Ų | 158.6 | 78% | 0.779 | 83% | 0.831 | S | S | * | * | cis | -148.6 | -139.4 | 43.2 | 45.7 | -22.4 | 0 | 0 | 0 | 112.5 | ||||
| 472 | P | 42.7 | Very low | 30.3 | Very low | 118 Ų | 118 | 153.2 Ų | 153.2 | 77% | 0.766 | 82% | 0.824 | S | S | * | * | cis | -133.2 | 174.5 | -27.8 | 38.5 | -21.3 | 0 | 0 | 0 | 116.6 | ||||
| 473 | G | 27.3 | Very low | 30.2 | Very low | 76 Ų | 76 | 152.9 Ų | 152.9 | 78% | 0.784 | 82% | 0.823 | S | S | * | * | trans | 86.8 | 151.1 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 474 | K | 28.5 | Very low | 30.2 | Very low | 205 Ų | 205 | 153 Ų | 153 | 89% | 0.891 | 82% | 0.817 | S | S | * | * | cis | -134.5 | 141.8 | -4.6 | -79.1 | 177 | 177.7 | 176 | 0 | 107.5 | ||||
| 475 | A | 29.5 | Very low | 30.2 | Very low | 88 Ų | 88 | 155.8 Ų | 155.8 | 73% | 0.727 | 82% | 0.821 | S | S | * | * | 55.9 | 132.1 | 76.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | |||||
| 476 | F | 25.9 | Very low | 30.1 | Very low | 214 Ų | 214 | 150.9 Ų | 150.9 | 94% | 0.939 | 81% | 0.809 | S | S | * | * | cis | -159.6 | 170.3 | 8.8 | -131.5 | -132.3 | 0 | 0 | 0 | 108.5 | ||||
| 477 | G | 27.6 | Very low | 30 | Very low | 55 Ų | 55 | 155.9 Ų | 155.9 | 57% | 0.567 | 81% | 0.807 | S | S | * | * | cis | 165.7 | 171.1 | -5.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 478 | S | 31.8 | Very low | 29.8 | Very low | 117 Ų | 117 | 157.7 Ų | 157.7 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | trans | 71.8 | 150.7 | 168.2 | 86.9 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 479 | K | 29.8 | Very low | 29.9 | Very low | 189 Ų | 189 | 153.7 Ų | 153.7 | 82% | 0.822 | 80% | 0.803 | S | S | * | * | cis | -130.3 | 146.4 | -4.9 | -62.3 | 175.5 | -179.5 | 174.1 | 0 | 107.9 | ||||
| 480 | K | 28.1 | Very low | 29.9 | Very low | 198 Ų | 198 | 153.7 Ų | 153.7 | 86% | 0.861 | 80% | 0.803 | S | S | * | * | 53.7 | 138.4 | 66.5 | -86.7 | -160.5 | 175.1 | -172.9 | 0 | 115.3 | |||||
| 481 | S | 26.1 | Very low | 29.4 | Very low | 108 Ų | 108 | 151.5 Ų | 151.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | cis | -179.6 | 160 | -17 | 41.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 482 | G | 26.5 | Very low | 28.6 | Very low | 69 Ų | 69 | 152.9 Ų | 152.9 | 71% | 0.711 | 80% | 0.801 | S | S | * | * | trans | 101.3 | 125.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 483 | E | 28.4 | Very low | 27.8 | Very low | 172 Ų | 172 | 155.9 Ų | 155.9 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | cis | 63.6 | 126.3 | 46 | -62.6 | -156 | 106.8 | 0 | 0 | 113.6 | ||||
| 484 | R | 28.8 | Very low | 27.8 | Very low | 215 Ų | 215 | 159 Ų | 159 | 81% | 0.811 | 80% | 0.801 | S | S | * | * | cis | 121.8 | 108.9 | 12.4 | 169.1 | -160.1 | -171.5 | -170.6 | 1.9 | 107.1 | ||||
| 485 | E | 27.1 | Very low | 27.7 | Very low | 188 Ų | 188 | 152.4 Ų | 152.4 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -164 | -172.9 | 142.2 | -123.6 | -176.6 | -150.6 | 0 | 0 | 114.6 | ||||
| 486 | T | 26.4 | Very low | 27.7 | Very low | 108 Ų | 108 | 156.9 Ų | 156.9 | 66% | 0.663 | 80% | 0.795 | S | S | * | * | trans | -133 | 140.8 | -169 | 58 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 487 | K | 27.8 | Very low | 27.9 | Very low | 188 Ų | 188 | 155.6 Ų | 155.6 | 82% | 0.817 | 79% | 0.789 | S | S | * | * | trans | 158.9 | 163.4 | 133.4 | -87.7 | 163.4 | -173.9 | 175.1 | 0 | 113.7 | ||||
| 488 | F | 24.9 | Very low | 27.9 | Very low | 193 Ų | 193 | 160 Ų | 160 | 85% | 0.846 | 80% | 0.8 | S | S | * | * | trans | -36.1 | 146 | 176.2 | -54.8 | -93.5 | 0 | 0 | 0 | 118.9 | ||||
| 489 | P | 32 | Very low | 27.9 | Very low | 125 Ų | 125 | 164.1 Ų | 164.1 | 81% | 0.812 | 80% | 0.803 | S | S | * | * | trans | -97.9 | 148.9 | 151.9 | 36.4 | -30.1 | 0 | 0 | 0 | 112.4 | ||||
| 490 | R | 28 | Very low | 27.9 | Very low | 241 Ų | 241 | 161.8 Ų | 161.8 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -161.2 | 147.9 | 164.7 | -131.1 | -177.6 | -177.3 | -161.1 | -1.2 | 111.1 | ||||
| 491 | K | 28.1 | Very low | 28.1 | Very low | 195 Ų | 195 | 162.5 Ų | 162.5 | 85% | 0.848 | 80% | 0.802 | S | S | * | * | trans | 65.8 | 137.9 | -177.6 | -68.1 | -170.5 | 174.4 | -170.9 | 0 | 113.3 | ||||
| 492 | N | 26.2 | Very low | 28.2 | Very low | 149 Ų | 149 | 166.4 Ų | 166.4 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | cis | -128.3 | -170.9 | 9 | -72 | -41.3 | 0 | 0 | 0 | 109.7 | ||||
| 493 | F | 24.9 | Very low | 28.2 | Very low | 180 Ų | 180 | 171.4 Ų | 171.4 | 79% | 0.789 | 81% | 0.808 | S | S | * | * | cis | 173.5 | 136.9 | -46.2 | -160.9 | -86.5 | 0 | 0 | 0 | 105.3 | ||||
| 494 | D | 27.4 | Very low | 28.2 | Very low | 141 Ų | 141 | 170.6 Ų | 170.6 | 75% | 0.754 | 80% | 0.804 | S | S | * | * | trans | 63.3 | 165.3 | 177.4 | -122.4 | -64.2 | 0 | 0 | 0 | 121.1 | ||||
| 495 | G | 27.1 | Very low | 28.2 | Very low | 68 Ų | 68 | 165.5 Ų | 165.5 | 70% | 0.701 | 80% | 0.798 | S | S | * | * | trans | 142.1 | 25.5 | 166.9 | 0 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 496 | K | 28.8 | Very low | 28.4 | Very low | 182 Ų | 182 | 167 Ų | 167 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | 32.9 | 130.6 | 156.8 | -77.2 | 170.5 | -179.7 | 162.4 | 0 | 123.8 | ||||
| 497 | K | 29.8 | Very low | 28.5 | Very low | 186 Ų | 186 | 165.1 Ų | 165.1 | 81% | 0.809 | 80% | 0.803 | S | S | * | * | trans | 82.1 | 120.9 | 136.7 | -72.4 | -177.4 | 174.9 | -174.7 | 0 | 123.9 | ||||
| 498 | N | 29.2 | Very low | 28.7 | Very low | 149 Ų | 149 | 165.2 Ų | 165.2 | 80% | 0.797 | 81% | 0.806 | S | S | * | * | trans | 23.5 | 130.9 | 136.8 | -55.8 | 11.9 | 0 | 0 | 0 | 122.6 | ||||
| 499 | K | 30.5 | Very low | 29.1 | Very low | 202 Ų | 202 | 166.3 Ų | 166.3 | 88% | 0.878 | 81% | 0.81 | S | S | * | * | -171.9 | 166.9 | 96.8 | -109.3 | 179.6 | 178.9 | 177.1 | 0 | 114.6 | |||||
| 500 | D | 30.5 | Very low | 29 | Very low | 141 Ų | 141 | 164 Ų | 164 | 75% | 0.754 | 81% | 0.809 | S | S | * | * | trans | -81.8 | 160.3 | -173.8 | -42.7 | -105.2 | 0 | 0 | 0 | 115.4 | ||||
| 501 | K | 31.9 | Very low | 29.5 | Very low | 213 Ų | 213 | 162.2 Ų | 162.2 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | -172.5 | 163.6 | 121 | -102.2 | 164.3 | -176.3 | -177.5 | 0 | 114.2 | |||||
| 502 | K | 28.3 | Very low | 30.3 | Very low | 190 Ų | 190 | 159.1 Ų | 159.1 | 83% | 0.826 | 81% | 0.807 | S | S | * | * | trans | -112.6 | -175.4 | 179.5 | -77.5 | -179.8 | 175.9 | 173.9 | 0 | 111.3 | ||||
| 503 | F | 26.6 | Very low | 30.6 | Very low | 173 Ų | 173 | 155.4 Ų | 155.4 | 76% | 0.759 | 80% | 0.804 | S | S | * | * | trans | 87.1 | 122.1 | 174 | -70.8 | -101.7 | 0 | 0 | 0 | 114.4 | ||||
| 504 | Q | 28.9 | Very low | 30.9 | Very low | 155 Ų | 155 | 155.5 Ų | 155.5 | 72% | 0.724 | 81% | 0.812 | S | S | * | * | 76.4 | 146.1 | 58.5 | -74.2 | -152.5 | 18.4 | 0 | 0 | 112.7 | |||||
| 505 | T | 28.9 | Very low | 31.2 | Very low | 109 Ų | 109 | 158.6 Ų | 158.6 | 67% | 0.669 | 82% | 0.819 | S | S | * | * | cis | -162.1 | 159.1 | -6.5 | 16.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 506 | K | 29.9 | Very low | 31.6 | Very low | 220 Ų | 220 | 165 Ų | 165 | 96% | 0.957 | 83% | 0.827 | S | S | * | * | trans | 162.3 | 152.1 | 153.3 | -91.4 | 156.8 | -174 | 179.7 | 0 | 108.6 | ||||
| 507 | G | 28.3 | Very low | 31.9 | Very low | 67 Ų | 67 | 166.1 Ų | 166.1 | 69% | 0.691 | 83% | 0.832 | S | S | * | * | cis | 146.6 | 66.2 | 1.4 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 508 | H | 33.6 | Very low | 31.9 | Very low | 191 Ų | 191 | 160.9 Ų | 160.9 | 88% | 0.884 | 83% | 0.831 | S | S | * | * | 80.6 | 119.5 | 101.6 | -131.3 | 74 | 0 | 0 | 0 | 116.9 | |||||
| 509 | K | 32.3 | Very low | 32.1 | Very low | 216 Ų | 216 | 158.9 Ų | 158.9 | 94% | 0.939 | 84% | 0.835 | S | S | * | * | trans | 157.2 | 142.6 | 161.6 | -93 | 167 | -175.8 | -177 | 0 | 107.9 | ||||
| 510 | G | 29.5 | Very low | 32.1 | Very low | 76 Ų | 76 | 153.3 Ų | 153.3 | 78% | 0.784 | 84% | 0.836 | S | S | * | * | cis | -174.3 | 159.3 | -10.2 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 511 | K | 38.2 | Very low | 32.2 | Very low | 204 Ų | 204 | 150.4 Ų | 150.4 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -137.5 | 152 | 174.4 | -77.5 | -169.6 | 178.9 | -173.9 | 0 | 110.9 | ||||
| 512 | P | 45 | Very low | 32.5 | Very low | 129 Ų | 129 | 150.4 Ų | 150.4 | 84% | 0.838 | 84% | 0.839 | S | S | * | * | trans | -113.2 | 161.7 | 139.8 | 36.2 | -28.4 | 0 | 0 | 0 | 111.2 | ||||
| 513 | G | 32.4 | Very low | 33 | Very low | 71 Ų | 71 | 151.2 Ų | 151.2 | 73% | 0.732 | 85% | 0.845 | S | S | * | * | cis | 136.9 | 88.3 | -11.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 514 | L | 31.6 | Very low | 33.3 | Very low | 182 Ų | 182 | 146.1 Ų | 146.1 | 95% | 0.953 | 84% | 0.842 | S | S | * | * | trans | -136.5 | 159.3 | 169.8 | -135.8 | 72.8 | 0 | 0 | 0 | 111.6 | ||||
| 515 | K | 34.1 | Very low | 33.6 | Very low | 207 Ų | 207 | 148.2 Ų | 148.2 | 90% | 0.9 | 85% | 0.849 | S | S | * | * | trans | -98.5 | 163.5 | -150.4 | -70.3 | -178.7 | 177.4 | 176.9 | 0 | 116.7 | ||||
| 516 | K | 36.3 | Very low | 34 | Very low | 201 Ų | 201 | 148.1 Ų | 148.1 | 87% | 0.874 | 85% | 0.848 | S | S | * | * | trans | -93.3 | 153.3 | 170.1 | -88.9 | -178.4 | 170.4 | -179.2 | 0 | 113.3 | ||||
| 517 | K | 33.2 | Very low | 34.3 | Very low | 206 Ų | 206 | 148.9 Ų | 148.9 | 90% | 0.896 | 85% | 0.845 | S | S | * | * | trans | -127.7 | 157 | 130.4 | -67 | -177.2 | 176.7 | -178.3 | 0 | 105.6 | ||||
| 518 | G | 30.7 | Very low | 34.7 | Very low | 76 Ų | 76 | 152 Ų | 152 | 78% | 0.784 | 85% | 0.85 | S | S | * | * | cis | 103.4 | 120.7 | 19.5 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 519 | A | 33.4 | Very low | 35.1 | Very low | 107 Ų | 107 | 152.2 Ų | 152.2 | 88% | 0.884 | 85% | 0.849 | S | S | * | * | cis | -159.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 520 | G | 30.5 | Very low | 35.4 | Very low | 86 Ų | 86 | 146 Ų | 146 | 89% | 0.887 | 85% | 0.847 | S | S | * | * | trans | 80.3 | 154.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 521 | G | 33.1 | Very low | 36.2 | Very low | 80 Ų | 80 | 152.3 Ų | 152.3 | 83% | 0.825 | 85% | 0.852 | S | S | * | * | cis | -166.2 | 149.7 | -9.5 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 522 | K | 38.8 | Very low | 36.5 | Very low | 213 Ų | 213 | 158.2 Ų | 158.2 | 93% | 0.926 | 87% | 0.869 | S | S | * | * | trans | -88.7 | 129.8 | 178.9 | -72.1 | -178.7 | -178.8 | 175.8 | 0 | 111 | ||||
| 523 | Q | 37.7 | Very low | 36.1 | Very low | 206 Ų | 206 | 159.7 Ų | 159.7 | 96% | 0.963 | 87% | 0.87 | S | S | * | * | trans | -155.5 | 155.2 | 149.1 | -109.5 | 176.8 | 18.8 | 0 | 0 | 109.9 | ||||
| 524 | G | 32.8 | Very low | 36.3 | Very low | 66 Ų | 66 | 164.3 Ų | 164.3 | 68% | 0.68 | 88% | 0.878 | S | S | * | * | trans | -174.5 | 136.6 | 170.7 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 525 | F | 35.2 | Very low | 36.6 | Very low | 200 Ų | 200 | 163.3 Ų | 163.3 | 88% | 0.877 | 87% | 0.874 | S | S | * | * | trans | -145.7 | 147.5 | 175.5 | -122.4 | -93.7 | 0 | 0 | 0 | 112.4 | ||||
| 526 | T | 37.7 | Very low | 36.7 | Very low | 106 Ų | 106 | 160.8 Ų | 160.8 | 65% | 0.65 | 87% | 0.872 | S | S | * | * | trans | 9.3 | 119.8 | 167.3 | 52.4 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 527 | R | 35.8 | Very low | 36.7 | Very low | 237 Ų | 237 | 158.3 Ų | 158.3 | 89% | 0.894 | 87% | 0.872 | S | S | * | * | trans | -56.8 | 128.1 | 144.7 | -170.9 | -174.7 | -168.2 | -179.3 | 4.2 | 111 | ||||
| 528 | T | 37.9 | Very low | 37 | Very low | 131 Ų | 131 | 155.1 Ų | 155.1 | 80% | 0.804 | 87% | 0.87 | S | S | * | * | trans | -103.6 | 148.3 | 165.3 | 36.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 529 | K | 40.4 | Very low | 37.4 | Very low | 197 Ų | 197 | 160.7 Ų | 160.7 | 86% | 0.857 | 88% | 0.877 | S | S | * | * | trans | -107 | 121.6 | 170.9 | -75.4 | -178.7 | 177.1 | 177.9 | 0 | 108.7 | ||||
| 530 | G | 40.2 | Very low | 37.7 | Very low | 86 Ų | 86 | 164.8 Ų | 164.8 | 89% | 0.887 | 88% | 0.876 | S | S | * | * | trans | -75.5 | 128.8 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 531 | K | 45.1 | Very low | 38.3 | Very low | 207 Ų | 207 | 171.4 Ų | 171.4 | 90% | 0.9 | 88% | 0.875 | S | S | * | * | trans | -130.7 | 109.9 | 162.6 | -126.8 | -157.5 | -177.5 | -164.8 | 0 | 107 | ||||
| 532 | R | 45.5 | Very low | 38.8 | Very low | 328 Ų | 328 | 179.7 Ų | 179.7 | 100% | 1.238 | 88% | 0.88 | S | S | * | * | trans | -159.7 | 0 | 150.3 | -108.6 | 176 | -176.4 | -168.7 | -0.9 | 107 |
Retrieved 532 of 532 residues in 189.4 ms
(Link to these results)