| 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 | 58.9 | Low | 64.9 | Low | 212 Ų | 212 | 124 Ų | 124 | 100% | 1.044 | 63% | 0.633 | S | S | * | * | 0 | -19.2 | 0 | -78.7 | -179.7 | 176.6 | 0 | 0 | 114.5 | V3 | M1-V3 PolarHBondContact O-N 2.92Š| |||
| 2 | H | 58.8 | Low | 63.9 | Low | 160 Ų | 160 | 116.8 Ų | 116.8 | 74% | 0.741 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -70.9 | -25.8 | -174.2 | -57.2 | -55.1 | 0 | 0 | 0 | 116.1 | R4 L5 A6 | H2-R4 VanDerWaalsContact C-N 3.35Å; H2-R4 PolarHBondContact O-N 3.09Å; H2-L5 PolarHBondContact O-N 3.4Å; H2-A6 PolarHBondContact O-N 3.06Å; H2-A6 VanDerWaalsContact O-N 3.15Å |
| 3 | V | 63.7 | Low | 63.5 | Low | 118 Ų | 118 | 113.5 Ų | 113.5 | 72% | 0.715 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.9 | -36.3 | 179.7 | -176.6 | 0 | 0 | 0 | 0 | 112.1 | M1 L5 A6 V7 | M1-V3 PolarHBondContact O-N 2.92Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.5Å; V3-A6 PolarHBondContact O-N 3.49Å; V3-V7 WeakPolarHBondContact O-CG2 3.29Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-V7 VanDerWaalsContact O-N 3.13Å |
| 4 | R | 64 | Low | 63 | Low | 221 Ų | 221 | 111.1 Ų | 111.1 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -69.1 | -33.3 | 177.8 | -70.3 | -170.2 | 177.1 | 176.6 | -0.6 | 112.5 | H2 A8 | H2-R4 VanDerWaalsContact C-N 3.35Å; H2-R4 PolarHBondContact O-N 3.09Å; R4-A8 WeakPolarHBondContact O-CB 3.46Å; R4-A8 PolarHBondContact O-N 3.47Å |
| 5 | L | 64.5 | Low | 62.1 | Low | 114 Ų | 114 | 110.5 Ų | 110.5 | 60% | 0.597 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67 | -44 | 174.8 | -107 | 150.6 | 0 | 0 | 0 | 111.3 | H2 V3 V7 A8 V9 | H2-L5 PolarHBondContact O-N 3.4Å; V3-L5 VanDerWaalsContact C-N 3.34Å; V3-L5 PolarHBondContact O-N 3.5Å; L5-V7 VanDerWaalsContact C-N 3.35Å; L5-V7 PolarHBondContact O-N 2.68Å; L5-A8 PolarHBondContact O-N 3.03Å; L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.02Å |
| 6 | A | 64 | Low | 61 | Low | 54 Ų | 54 | 107.5 Ų | 107.5 | 45% | 0.446 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -62.4 | -40.9 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | H2 V3 V9 W10 | H2-A6 PolarHBondContact O-N 3.06Å; H2-A6 VanDerWaalsContact O-N 3.15Å; V3-A6 PolarHBondContact O-N 3.49Å; A6-V9 PolarHBondContact O-N 3.28Å; A6-W10 PolarHBondContact O-N 3.09Å |
| 7 | V | 69.5 | Low | 60.1 | Low | 76 Ų | 76 | 111.2 Ų | 111.2 | 46% | 0.461 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -67.5 | -41.3 | 176.8 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | V3 L5 V9 W10 I11 | V3-V7 WeakPolarHBondContact O-CG2 3.29Å; V3-V7 PolarHBondContact O-N 3.35Å; V3-V7 VanDerWaalsContact O-N 3.13Å; L5-V7 VanDerWaalsContact C-N 3.35Å; L5-V7 PolarHBondContact O-N 2.68Å; V7-V9 PolarHBondContact O-N 2.69Å; V7-W10 PolarHBondContact O-N 3.2Å; V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.31Å; V7-I11 WeakPolarHBondContact O-CB 3.35Å; V7-I11 VanDerWaalsContact O-CG1 3.29Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 3.34Å |
| 8 | A | 65.9 | Low | 59.2 | Low | 60 Ų | 60 | 109.4 Ų | 109.4 | 50% | 0.496 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -64.6 | -39.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | R4 L5 I11 G12 | R4-A8 WeakPolarHBondContact O-CB 3.46Å; R4-A8 PolarHBondContact O-N 3.47Å; L5-A8 PolarHBondContact O-N 3.03Å; A8-I11 PolarHBondContact O-N 3.06Å; A8-G12 PolarHBondContact O-N 3.03Å |
| 9 | V | 67.2 | Low | 58.1 | Low | 81 Ų | 81 | 107.3 Ų | 107.3 | 49% | 0.491 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -64.7 | -42.5 | 174.1 | 172 | 0 | 0 | 0 | 0 | 110.6 | L5 A6 V7 G12 I13 | L5-V9 VanDerWaalsContact O-CG2 3.28Å; L5-V9 WeakPolarHBondContact O-CG2 3.32Å; L5-V9 PolarHBondContact O-N 3.02Å; A6-V9 PolarHBondContact O-N 3.28Å; V7-V9 PolarHBondContact O-N 2.69Å; V9-G12 PolarHBondContact O-N 3.47Å; V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.42Å; V9-I13 WeakPolarHBondContact O-CB 3.47Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.09Å |
| 10 | W | 68 | Low | 56.9 | Low | 176 Ų | 176 | 106.7 Ų | 106.7 | 67% | 0.667 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.9 | -44.7 | 175.5 | -104.1 | 94.4 | 0 | 0 | 0 | 112.9 | A6 V7 G12 I13 V14 | A6-W10 PolarHBondContact O-N 3.09Å; V7-W10 PolarHBondContact O-N 3.2Å; W10-G12 VanDerWaalsContact C-N 3.31Å; W10-G12 PolarHBondContact O-N 3.34Å; W10-I13 PolarHBondContact O-N 3.13Å; W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CZ3-CG2 4.29Å; W10-V14 WeakPolarHBondContact O-CB 3.35Å; W10-V14 VanDerWaalsContact O-CG2 3.24Å; W10-V14 WeakPolarHBondContact O-CG2 3.44Å; W10-V14 PolarHBondContact O-N 3.07Å |
| 11 | I | 69.5 | Low | 56.1 | Low | 92 Ų | 92 | 106.3 Ų | 106.3 | 47% | 0.472 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -63.4 | -40.6 | 175.1 | -67.6 | 168.5 | 0 | 0 | 0 | 110 | V7 A8 V14 L15 | V7-I11 HydrophobicContact CG1-CD1 3.72Å; V7-I11 HydrophobicContact CG1-CG1 4.31Å; V7-I11 WeakPolarHBondContact O-CB 3.35Å; V7-I11 VanDerWaalsContact O-CG1 3.29Å; V7-I11 WeakPolarHBondContact O-CG1 3.47Å; V7-I11 PolarHBondContact O-N 3.34Å; A8-I11 PolarHBondContact O-N 3.06Å; I11-V14 PolarHBondContact O-N 3.11Å; I11-L15 HydrophobicContact CG2-CD1 3.64Å; I11-L15 HydrophobicContact CG2-CG 4.1Å; I11-L15 WeakPolarHBondContact O-CB 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.31Å; I11-L15 PolarHBondContact O-N 3.47Å |
| 12 | G | 53 | Low | 55.4 | Low | 37 Ų | 37 | 101.2 Ų | 101.2 | 38% | 0.381 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.4 | -40.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A8 V9 W10 A16 | A8-G12 PolarHBondContact O-N 3.03Å; V9-G12 PolarHBondContact O-N 3.47Å; W10-G12 VanDerWaalsContact C-N 3.31Å; W10-G12 PolarHBondContact O-N 3.34Å; G12-A16 WeakPolarHBondContact O-CB 3.41Å; G12-A16 PolarHBondContact O-N 3.06Å |
| 13 | I | 58.5 | Low | 54.6 | Low | 75 Ų | 75 | 100.5 Ų | 100.5 | 39% | 0.385 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67.1 | -48 | 174.9 | -70.4 | 166.2 | 0 | 0 | 0 | 110.3 | V9 W10 L15 A16 F17 | V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.42Å; V9-I13 WeakPolarHBondContact O-CB 3.47Å; V9-I13 WeakPolarHBondContact O-CG1 3.28Å; V9-I13 PolarHBondContact O-N 3.09Å; W10-I13 PolarHBondContact O-N 3.13Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.97Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-A16 VanDerWaalsContact O-N 3.13Å; I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.56Å; I13-F17 WeakPolarHBondContact O-CD2 3.46Å; I13-F17 PolarHBondContact O-N 3.46Å |
| 14 | V | 56.9 | Low | 53.8 | Low | 79 Ų | 79 | 97.6 Ų | 97.6 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -41.3 | 178 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | W10 I11 F17 A18 | W10-V14 HydrophobicContact CE3-CG2 3.94Å; W10-V14 HydrophobicContact CZ3-CG2 4.29Å; W10-V14 WeakPolarHBondContact O-CB 3.35Å; W10-V14 VanDerWaalsContact O-CG2 3.24Å; W10-V14 WeakPolarHBondContact O-CG2 3.44Å; W10-V14 PolarHBondContact O-N 3.07Å; I11-V14 PolarHBondContact O-N 3.11Å; V14-F17 PolarHBondContact O-N 3.43Å; V14-A18 WeakPolarHBondContact O-CB 3.28Å; V14-A18 PolarHBondContact O-N 3.48Å |
| 15 | L | 49.3 | Very low | 52.9 | Low | 103 Ų | 103 | 88 Ų | 88 | 54% | 0.539 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -70 | -33.2 | 173.9 | -72.1 | 174.1 | 0 | 0 | 0 | 111.9 | I11 I13 A18 A19 | I11-L15 HydrophobicContact CG2-CD1 3.64Å; I11-L15 HydrophobicContact CG2-CG 4.1Å; I11-L15 WeakPolarHBondContact O-CB 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.31Å; I11-L15 PolarHBondContact O-N 3.47Å; I13-L15 VanDerWaalsContact C-N 3.32Å; I13-L15 PolarHBondContact O-N 2.97Å; L15-A18 PolarHBondContact O-N 3.41Å; L15-A19 VanDerWaalsContact O-CA 3.3Å; L15-A19 WeakPolarHBondContact O-CA 3.11Å; L15-A19 WeakPolarHBondContact O-CB 3.35Å; L15-A19 PolarHBondContact O-N 3.37Å |
| 16 | A | 44.1 | Very low | 52.4 | Low | 62 Ų | 62 | 85.7 Ų | 85.7 | 51% | 0.512 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.6 | -35.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G12 I13 C20 | G12-A16 WeakPolarHBondContact O-CB 3.41Å; G12-A16 PolarHBondContact O-N 3.06Å; I13-A16 PolarHBondContact O-N 3.33Å; I13-A16 VanDerWaalsContact O-N 3.13Å; A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.19Å; A16-C20 VanDerWaalsContact O-N 3.11Å |
| 17 | F | 45.6 | Very low | 51.7 | Low | 171 Ų | 171 | 84.5 Ų | 84.5 | 75% | 0.75 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.2 | -35 | 171.6 | -80.7 | -70.8 | 0 | 0 | 0 | 112.4 | I13 V14 | I13-F17 HydrophobicContact CG2-CD2 3.61Å; I13-F17 HydrophobicContact CG2-CE2 3.56Å; I13-F17 WeakPolarHBondContact O-CD2 3.46Å; I13-F17 PolarHBondContact O-N 3.46Å; V14-F17 PolarHBondContact O-N 3.43Å |
| 18 | A | 44.7 | Very low | 50.8 | Low | 79 Ų | 79 | 80.9 Ų | 80.9 | 65% | 0.653 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -82.5 | -33.4 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | V14 L15 C20 | V14-A18 WeakPolarHBondContact O-CB 3.28Å; V14-A18 PolarHBondContact O-N 3.48Å; L15-A18 PolarHBondContact O-N 3.41Å; A18-C20 VanDerWaalsContact C-N 3.34Å |
| 19 | A | 38.2 | Very low | 50.2 | Low | 68 Ų | 68 | 78.7 Ų | 78.7 | 56% | 0.562 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -93.1 | 9.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | L15 K21 | L15-A19 VanDerWaalsContact O-CA 3.3Å; L15-A19 WeakPolarHBondContact O-CA 3.11Å; L15-A19 WeakPolarHBondContact O-CB 3.35Å; L15-A19 PolarHBondContact O-N 3.37Å; A19-K21 VanDerWaalsContact O-CG 3.29Å; A19-K21 WeakPolarHBondContact O-CG 3.38Å; A19-K21 PolarHBondContact O-N 3.42Å |
| 20 | C | 33.1 | Very low | 49.4 | Very low | 96 Ų | 96 | 75.4 Ų | 75.4 | 65% | 0.649 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -69.7 | 63.2 | 155 | -121.5 | 0 | 0 | 0 | 0 | 109.6 | A16 A18 | A16-C20 WeakPolarHBondContact O-CB 3.43Å; A16-C20 PolarHBondContact O-N 3.19Å; A16-C20 VanDerWaalsContact O-N 3.11Å; A18-C20 VanDerWaalsContact C-N 3.34Å |
| 21 | K | 41.1 | Very low | 48.5 | Very low | 99 Ų | 99 | 67.7 Ų | 67.7 | 43% | 0.43 | 39% | 0.391 | S | S | . | . | trans | 44 | 91.1 | 141 | -65.3 | 178.8 | 179 | -178.6 | 0 | 116.1 | A19 E23 D24 | A19-K21 VanDerWaalsContact O-CG 3.29Å; A19-K21 WeakPolarHBondContact O-CG 3.38Å; A19-K21 PolarHBondContact O-N 3.42Å; K21-E23 HydrophobicContact CB-CB 4.4Å; K21-E23 PolarHBondContact O-N 3.13Å; K21-D24 HydrophobicContact CB-CB 3.82Å; K21-D24 HydrophobicContact CD-CB 4.18Å; K21-D24 WeakPolarHBondContact CD-OD2 3.42Å; K21-D24 IonicContact NZ-OD2 3.89Å; K21-D24 PolarHBondContact NZ-OD2 2.91Å; K21-D24 VanDerWaalsContact NZ-OD2 3.17Å; K21-D24 PolarHBondContact O-N 3.34Å; K21-D24 VanDerWaalsContact O-N 3.12Å | ||
| 22 | T | 43.4 | Very low | 47.2 | Very low | 104 Ų | 104 | 67.9 Ų | 67.9 | 64% | 0.638 | 39% | 0.388 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -44.2 | -20.3 | 142.7 | 30.6 | 0 | 0 | 0 | 0 | 114 | ||
| 23 | E | 42.8 | Very low | 46.6 | Very low | 146 Ų | 146 | 69.7 Ų | 69.7 | 68% | 0.682 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.8 | -21.4 | 178.8 | -64.6 | -173 | 158 | 0 | 0 | 115.1 | K21 | K21-E23 HydrophobicContact CB-CB 4.4Å; K21-E23 PolarHBondContact O-N 3.13Å |
| 24 | D | 45.7 | Very low | 45.6 | Very low | 57 Ų | 57 | 67.7 Ų | 67.7 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -100.6 | 14.2 | -178.1 | -76.3 | -9.3 | 0 | 0 | 0 | 111.9 | K21 L48 R49 | K21-D24 HydrophobicContact CB-CB 3.82Å; K21-D24 HydrophobicContact CD-CB 4.18Å; K21-D24 WeakPolarHBondContact CD-OD2 3.42Å; K21-D24 IonicContact NZ-OD2 3.89Å; K21-D24 PolarHBondContact NZ-OD2 2.91Å; K21-D24 VanDerWaalsContact NZ-OD2 3.17Å; K21-D24 PolarHBondContact O-N 3.34Å; K21-D24 VanDerWaalsContact O-N 3.12Å; D24-L48 CarbonylContact O-C 3.52Å; D24-L48 WeakPolarHBondContact O-CA 3.41Å; D24-R49 WeakPolarHBondContact O-CB 3.2Å; D24-R49 PolarHBondContact O-N 3.43Å |
| 25 | C | 45.9 | Very low | 44.7 | Very low | 20 Ų | 20 | 69.8 Ų | 69.8 | 14% | 0.135 | 40% | 0.399 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 123.1 | -176.6 | -64.6 | 0 | 0 | 0 | 0 | 111.6 | K46 L47 | C25-K46 HydrophobicContact CB-CD 4.27Å; C25-K46 VanDerWaalsContact CB-CE 3.5Å; C25-K46 HydrophobicContact CB-CG 3.74Å; C25-K46 WeakPolarHBondContact SG-CE 3.32Å; C25-L47 CarbonylContact C-O 3.51Å; C25-L47 WeakPolarHBondContact CA-O 3.45Å |
| 26 | E | 53.2 | Low | 44.1 | Very low | 65 Ų | 65 | 72 Ų | 72 | 30% | 0.304 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 133.2 | 170.9 | -68.9 | -169.5 | 177.9 | 0 | 0 | 110.4 | V28 L47 R49 T70 | E26-V28 HydrophobicContact CB-CG2 4.37Å; E26-V28 PolarHBondContact O-N 3.29Å; E26-L47 PolarHBondContact N-O 2.74Å; E26-L47 PolarHBondContact O-N 2.73Å; E26-R49 HydrophobicContact CG-CG 4.45Å; E26-R49 IonicContact OE1-NE 3.17Å; E26-T70 WeakPolarHBondContact OE2-CG2 3.39Å |
| 27 | F | 50 | Low | 43.6 | Very low | 28 Ų | 28 | 72.8 Ų | 72.8 | 12% | 0.123 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 113.4 | 174.2 | -66.4 | -82.1 | 0 | 0 | 0 | 108.7 | L45 K46 D71 C74 R75 C78 H79 | F27-L45 CarbonylContact C-O 3.58Å; F27-L45 WeakPolarHBondContact CA-O 3.21Å; F27-K46 HydrophobicContact CD1-CB 4.48Å; F27-K46 HydrophobicContact CE1-CB 4.3Å; F27-K46 HydrophobicContact CE1-CD 4.49Å; F27-K46 HydrophobicContact CE1-CG 4.25Å; F27-D71 PolarHBondContact O-N 2.82Å; F27-C74 HydrophobicContact CB-CB 3.91Å; F27-R75 HydrophobicContact CB-CB 4.42Å; F27-R75 VanDerWaalsContact CD1-CA 3.45Å; F27-R75 HydrophobicContact CD1-CB 4.2Å; F27-R75 HydrophobicContact CD2-CB 3.54Å; F27-R75 HydrophobicContact CD2-CG 3.75Å; F27-R75 HydrophobicContact CE1-CB 4.34Å; F27-R75 HydrophobicContact CE1-CG 4.33Å; F27-R75 HydrophobicContact CE2-CB 3.73Å; F27-R75 HydrophobicContact CE2-CG 3.38Å; F27-R75 VanDerWaalsContact CG-CA 3.47Å; F27-R75 HydrophobicContact CG-CB 3.78Å; F27-R75 HydrophobicContact CG-CG 4.36Å; F27-R75 HydrophobicContact CZ-CB 4.11Å; F27-R75 HydrophobicContact CZ-CG 3.68Å; F27-C78 HydrophobicContact CD1-CB 3.73Å; F27-C78 HydrophobicContact CE1-CB 3.63Å; F27-H79 AromaticContact CZ-NE2 3.98Å |
| 28 | V | 50.3 | Low | 42.9 | Very low | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 131.2 | -173.7 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | E26 C44 L45 L47 V68 T69 T70 | E26-V28 HydrophobicContact CB-CG2 4.37Å; E26-V28 PolarHBondContact O-N 3.29Å; V28-C44 CarbonylContact O-C 3.51Å; V28-C44 VanDerWaalsContact O-CA 3.31Å; V28-C44 WeakPolarHBondContact O-CA 3.45Å; V28-L45 PolarHBondContact N-O 2.83Å; V28-L45 PolarHBondContact O-N 3.13Å; V28-L47 HydrophobicContact CB-CD1 3.83Å; V28-L47 HydrophobicContact CB-CG 4.33Å; V28-L47 HydrophobicContact CG1-CD1 4.15Å; V28-L47 HydrophobicContact CG2-CB 4.45Å; V28-L47 HydrophobicContact CG2-CD1 3.5Å; V28-L47 HydrophobicContact CG2-CG 4.11Å; V28-V68 HydrophobicContact CG1-CB 4.43Å; V28-V68 HydrophobicContact CG1-CG1 3.13Å; V28-T69 CarbonylContact C-O 3.58Å; V28-T70 HydrophobicContact CG2-CG2 4.43Å |
| 29 | R | 53.4 | Low | 42.7 | Very low | 14 Ų | 14 | 64.7 Ų | 64.7 | 5% | 0.053 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 120.4 | 176.6 | 178.9 | 172.1 | 170.6 | 174.9 | -0.1 | 108.7 | V31 L41 V68 T69 D71 C74 | R29-V31 HydrophobicContact CG-CG2 3.65Å; R29-L41 HydrophobicContact CG-CD1 3.35Å; R29-V68 WeakPolarHBondContact O-CA 3.4Å; R29-T69 WeakPolarHBondContact CB-O 3.4Å; R29-T69 PolarHBondContact N-O 3.36Å; R29-T69 PolarHBondContact O-N 3.47Å; R29-D71 HydrophobicContact CB-CB 3.67Å; R29-D71 WeakPolarHBondContact CD-OD2 3.33Å; R29-D71 HydrophobicContact CG-CB 4.49Å; R29-D71 IonicContact CZ-OD2 3.81Å; R29-D71 IonicContact NE-OD2 3.85Å; R29-D71 IonicContact NH1-OD2 2.92Å; R29-D71 PolarHBondContact NH1-OD2 2.71Å; R29-C74 VanDerWaalsContact CB-SG 3.55Å |
| 30 | I | 51 | Low | 42.8 | Very low | 13 Ų | 13 | 63 Ų | 63 | 7% | 0.067 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.3 | 116.8 | 170.8 | -56.5 | 179 | 0 | 0 | 0 | 107.1 | V42 R43 L45 A66 A67 | I30-V42 HydrophobicContact CB-CB 4.18Å; I30-V42 HydrophobicContact CG2-CB 3.86Å; I30-V42 HydrophobicContact CG2-CG1 4.4Å; I30-V42 HydrophobicContact CG2-CG2 4.15Å; I30-V42 PolarHBondContact O-N 2.92Å; I30-R43 HydrophobicContact CB-CB 4.42Å; I30-R43 HydrophobicContact CD1-CB 4.3Å; I30-R43 PolarHBondContact N-O 3.35Å; I30-R43 PolarHBondContact O-N 3.27Å; I30-L45 HydrophobicContact CD1-CD1 3.51Å; I30-L45 HydrophobicContact CD1-CG 4.18Å; I30-L45 HydrophobicContact CG1-CD1 4.4Å; I30-A66 HydrophobicContact CG2-CB 3.98Å; I30-A67 WeakPolarHBondContact CA-O 3.17Å |
| 31 | V | 48 | Very low | 43.5 | Very low | 14 Ų | 14 | 59.1 Ų | 59.1 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 125.5 | 178.2 | -174.9 | 0 | 0 | 0 | 0 | 108.3 | R29 P39 T40 L41 A66 A67 | R29-V31 HydrophobicContact CG-CG2 3.65Å; V31-P39 HydrophobicContact CG1-CB 3.19Å; V31-T40 CarbonylContact C-O 3.48Å; V31-T40 WeakPolarHBondContact CA-O 3.2Å; V31-L41 HydrophobicContact CG2-CD1 4.49Å; V31-A66 CarbonylContact O-C 3.48Å; V31-A66 VanDerWaalsContact O-CA 3.22Å; V31-A66 WeakPolarHBondContact O-CA 2.95Å; V31-A67 HydrophobicContact CB-CB 4.41Å; V31-A67 PolarHBondContact N-O 3.4Å; V31-A67 PolarHBondContact O-N 3.39Å |
| 32 | K | 43.7 | Very low | 43.9 | Very low | 95 Ų | 95 | 57 Ų | 57 | 41% | 0.413 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 143.4 | 166.2 | -86 | 172.3 | -167.3 | -177 | 0 | 108.8 | S34 T40 V42 A66 | K32-S34 PolarHBondContact O-N 3.28Å; K32-T40 PolarHBondContact N-O 2.92Å; K32-T40 WeakPolarHBondContact O-CA 3.29Å; K32-T40 WeakPolarHBondContact O-CB 2.89Å; K32-T40 PolarHBondContact O-N 3.18Å; K32-V42 HydrophobicContact CB-CG2 3.54Å; K32-V42 HydrophobicContact CD-CG2 3.42Å; K32-V42 VanDerWaalsContact CD-CG2 3.42Å; K32-V42 HydrophobicContact CG-CG2 3.37Å; K32-A66 HydrophobicContact CG-CB 4.12Å |
| 33 | P | 39.4 | Very low | 44.1 | Very low | 75 Ų | 75 | 58.7 Ų | 58.7 | 49% | 0.487 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.7 | 126.5 | 165.4 | 24.1 | -32.7 | 0 | 0 | 0 | 108.4 | N65 | P33-N65 WeakPolarHBondContact CD-O 3.44Å; P33-N65 HydrophobicContact CG-CB 3.41Å; P33-N65 VanDerWaalsContact CG-CB 3.41Å |
| 34 | S | 37.1 | Very low | 44.4 | Very low | 33 Ų | 33 | 52.7 Ų | 52.7 | 23% | 0.231 | 31% | 0.308 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 149.5 | 168.2 | -170.9 | 0 | 0 | 0 | 0 | 108.8 | K32 N36 G37 G38 T40 | K32-S34 PolarHBondContact O-N 3.28Å; S34-N36 PolarHBondContact O-N 3.43Å; S34-N36 PolarHBondContact OG-N 2.99Å; S34-G37 PolarHBondContact O-N 3.06Å; S34-G37 VanDerWaalsContact O-N 3.1Å; S34-G38 VanDerWaalsContact CA-O 3.31Å; S34-G38 WeakPolarHBondContact CA-O 3.41Å; S34-G38 WeakPolarHBondContact CB-O 3.28Å; S34-G38 PolarHBondContact N-O 3.04Å; S34-T40 WeakPolarHBondContact CA-OG1 3.29Å; S34-T40 WeakPolarHBondContact CB-OG1 3.49Å; S34-T40 PolarHBondContact OG-OG1 2.84Å |
| 35 | V | 39.2 | Very low | 44.6 | Very low | 124 Ų | 124 | 51.8 Ų | 51.8 | 75% | 0.752 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.6 | -22.8 | 170.6 | -172.9 | 0 | 0 | 0 | 0 | 111.5 | ||
| 36 | N | 37.3 | Very low | 44.9 | Very low | 149 Ų | 149 | 56.3 Ų | 56.3 | 80% | 0.797 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.1 | 17.8 | -179.4 | -58.4 | -8 | 0 | 0 | 0 | 114.1 | S34 G38 | S34-N36 PolarHBondContact O-N 3.43Å; S34-N36 PolarHBondContact OG-N 2.99Å; N36-G38 PolarHBondContact O-N 3.39Å |
| 37 | G | 32.2 | Very low | 44.7 | Very low | 79 Ų | 79 | 54 Ų | 54 | 81% | 0.814 | 31% | 0.31 | S | S | * | . | S | Bend | trans | 76.1 | 1.9 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | S34 | S34-G37 PolarHBondContact O-N 3.06Å; S34-G37 VanDerWaalsContact O-N 3.1Å |
| 38 | G | 31.6 | Very low | 44.7 | Very low | 30 Ų | 30 | 56.9 Ų | 56.9 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -100.9 | 162.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | S34 N36 | S34-G38 VanDerWaalsContact CA-O 3.31Å; S34-G38 WeakPolarHBondContact CA-O 3.41Å; S34-G38 WeakPolarHBondContact CB-O 3.28Å; S34-G38 PolarHBondContact N-O 3.04Å; N36-G38 PolarHBondContact O-N 3.39Å |
| 39 | P | 39.7 | Very low | 44.6 | Very low | 50 Ų | 50 | 64 Ų | 64 | 33% | 0.325 | 35% | 0.353 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 123.4 | 170.5 | 26.4 | -31.4 | 0 | 0 | 0 | 112.3 | V31 I89 | V31-P39 HydrophobicContact CG1-CB 3.19Å; P39-I89 HydrophobicContact CG-CG2 4.14Å; P39-I89 WeakPolarHBondContact O-CG2 3.48Å |
| 40 | T | 41 | Very low | 44.4 | Very low | 31 Ų | 31 | 72.2 Ų | 72.2 | 19% | 0.19 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 124.1 | 167.7 | -62.5 | 0 | 0 | 0 | 0 | 109.9 | V31 K32 S34 V42 L86 | V31-T40 CarbonylContact C-O 3.48Å; V31-T40 WeakPolarHBondContact CA-O 3.2Å; K32-T40 PolarHBondContact N-O 2.92Å; K32-T40 WeakPolarHBondContact O-CA 3.29Å; K32-T40 WeakPolarHBondContact O-CB 2.89Å; K32-T40 PolarHBondContact O-N 3.18Å; S34-T40 WeakPolarHBondContact CA-OG1 3.29Å; S34-T40 WeakPolarHBondContact CB-OG1 3.49Å; S34-T40 PolarHBondContact OG-OG1 2.84Å; T40-V42 PolarHBondContact O-N 2.97Å; T40-L86 HydrophobicContact CG2-CD1 3.94Å; T40-L86 HydrophobicContact CG2-CG 4.36Å |
| 41 | L | 48.3 | Very low | 44.2 | Very low | 15 Ų | 15 | 77.6 Ų | 77.6 | 8% | 0.079 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.3 | 129.7 | 164.1 | -125.4 | 29.6 | 0 | 0 | 0 | 108.5 | R29 V31 A84 I89 | R29-L41 HydrophobicContact CG-CD1 3.35Å; V31-L41 HydrophobicContact CG2-CD1 4.49Å; L41-A84 HydrophobicContact CD2-CB 3.21Å; L41-A84 HydrophobicContact CG-CB 3.98Å; L41-I89 HydrophobicContact CB-CD1 3.27Å; L41-I89 HydrophobicContact CB-CG1 4.46Å; L41-I89 HydrophobicContact CD1-CD1 4.02Å; L41-I89 HydrophobicContact CD1-CG1 4.5Å; L41-I89 HydrophobicContact CD2-CD1 3.41Å; L41-I89 VanDerWaalsContact CD2-CD1 3.41Å; L41-I89 HydrophobicContact CD2-CG1 3.81Å; L41-I89 HydrophobicContact CG-CD1 3.72Å; L41-I89 HydrophobicContact CG-CG1 4.48Å |
| 42 | V | 48.4 | Very low | 43.8 | Very low | 55 Ų | 55 | 80.4 Ų | 80.4 | 33% | 0.333 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.9 | -46.4 | 166.4 | -173.4 | 0 | 0 | 0 | 0 | 109.4 | I30 K32 T40 | I30-V42 HydrophobicContact CB-CB 4.18Å; I30-V42 HydrophobicContact CG2-CB 3.86Å; I30-V42 HydrophobicContact CG2-CG1 4.4Å; I30-V42 HydrophobicContact CG2-CG2 4.15Å; I30-V42 PolarHBondContact O-N 2.92Å; K32-V42 HydrophobicContact CB-CG2 3.54Å; K32-V42 HydrophobicContact CD-CG2 3.42Å; K32-V42 VanDerWaalsContact CD-CG2 3.42Å; K32-V42 HydrophobicContact CG-CG2 3.37Å; T40-V42 PolarHBondContact O-N 2.97Å |
| 43 | R | 48.5 | Very low | 43.8 | Very low | 140 Ų | 140 | 78.9 Ų | 78.9 | 53% | 0.528 | 43% | 0.427 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -163.5 | 148.3 | -173.1 | -136.7 | 163.3 | -179.2 | -175.2 | 1.9 | 112.1 | I30 L45 | I30-R43 HydrophobicContact CB-CB 4.42Å; I30-R43 HydrophobicContact CD1-CB 4.3Å; I30-R43 PolarHBondContact N-O 3.35Å; I30-R43 PolarHBondContact O-N 3.27Å; R43-L45 HydrophobicContact CB-CG 4.5Å; R43-L45 HydrophobicContact CG-CD2 4.08Å; R43-L45 HydrophobicContact CG-CG 4.5Å |
| 44 | C | 48.8 | Very low | 44.1 | Very low | 20 Ų | 20 | 77.1 Ų | 77.1 | 14% | 0.135 | 41% | 0.413 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 128.7 | 157.9 | -72.1 | 0 | 0 | 0 | 0 | 107.5 | V28 C74 C78 | V28-C44 CarbonylContact O-C 3.51Å; V28-C44 VanDerWaalsContact O-CA 3.31Å; V28-C44 WeakPolarHBondContact O-CA 3.45Å; C44-C74 WeakPolarHBondContact CA-SG 3.46Å; C44-C74 HydrophobicContact CB-CB 3.53Å; C44-C74 WeakPolarHBondContact CB-SG 3.11Å; C44-C74 WeakPolarHBondContact SG-CA 2.98Å; C44-C74 WeakPolarHBondContact SG-CB 3.41Å; C44-C74 CovalentContact SG-SG 2.04Å; C44-C74 PolarHBondContact SG-SG 3.45Å; C44-C78 WeakPolarHBondContact CB-SG 3.5Å; C44-C78 PolarHBondContact O-SG 3.32Å; C44-C78 VanDerWaalsContact O-SG 3.39Å |
| 45 | L | 49.1 | Very low | 44.6 | Very low | 37 Ų | 37 | 79.3 Ų | 79.3 | 19% | 0.194 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119 | 146.3 | 177.7 | -65 | 179.3 | 0 | 0 | 0 | 109.8 | F27 V28 I30 R43 L47 L57 | F27-L45 CarbonylContact C-O 3.58Å; F27-L45 WeakPolarHBondContact CA-O 3.21Å; V28-L45 PolarHBondContact N-O 2.83Å; V28-L45 PolarHBondContact O-N 3.13Å; I30-L45 HydrophobicContact CD1-CD1 3.51Å; I30-L45 HydrophobicContact CD1-CG 4.18Å; I30-L45 HydrophobicContact CG1-CD1 4.4Å; R43-L45 HydrophobicContact CB-CG 4.5Å; R43-L45 HydrophobicContact CG-CD2 4.08Å; R43-L45 HydrophobicContact CG-CG 4.5Å; L45-L47 HydrophobicContact CB-CD2 4.21Å; L45-L47 HydrophobicContact CB-CG 4.22Å; L45-L47 HydrophobicContact CD1-CD2 4.33Å; L45-L57 HydrophobicContact CD1-CD1 3.79Å; L45-L57 HydrophobicContact CD1-CD2 4.37Å |
| 46 | K | 51.9 | Low | 44.8 | Very low | 115 Ų | 115 | 79.6 Ų | 79.6 | 50% | 0.5 | 41% | 0.411 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.8 | 105 | 166 | -177.4 | -178.5 | 173.1 | -175.5 | 0 | 105.6 | C25 F27 | C25-K46 HydrophobicContact CB-CD 4.27Å; C25-K46 VanDerWaalsContact CB-CE 3.5Å; C25-K46 HydrophobicContact CB-CG 3.74Å; C25-K46 WeakPolarHBondContact SG-CE 3.32Å; F27-K46 HydrophobicContact CD1-CB 4.48Å; F27-K46 HydrophobicContact CE1-CB 4.3Å; F27-K46 HydrophobicContact CE1-CD 4.49Å; F27-K46 HydrophobicContact CE1-CG 4.25Å |
| 47 | L | 49.6 | Very low | 45 | Very low | 17 Ų | 17 | 73.5 Ų | 73.5 | 9% | 0.089 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 141.4 | -178.8 | -64.5 | 177 | 0 | 0 | 0 | 110.4 | C25 E26 V28 L45 E53 I54 L57 | C25-L47 CarbonylContact C-O 3.51Å; C25-L47 WeakPolarHBondContact CA-O 3.45Å; E26-L47 PolarHBondContact N-O 2.74Å; E26-L47 PolarHBondContact O-N 2.73Å; V28-L47 HydrophobicContact CB-CD1 3.83Å; V28-L47 HydrophobicContact CB-CG 4.33Å; V28-L47 HydrophobicContact CG1-CD1 4.15Å; V28-L47 HydrophobicContact CG2-CB 4.45Å; V28-L47 HydrophobicContact CG2-CD1 3.5Å; V28-L47 HydrophobicContact CG2-CG 4.11Å; L45-L47 HydrophobicContact CB-CD2 4.21Å; L45-L47 HydrophobicContact CB-CG 4.22Å; L45-L47 HydrophobicContact CD1-CD2 4.33Å; L47-E53 HydrophobicContact CD2-CB 4.49Å; L47-I54 HydrophobicContact CD1-CG1 3.69Å; L47-L57 HydrophobicContact CD1-CD1 3.44Å; L47-L57 VanDerWaalsContact CD1-CD1 3.44Å; L47-L57 HydrophobicContact CD2-CD1 3.75Å; L47-L57 HydrophobicContact CG-CD1 4.18Å |
| 48 | L | 50.6 | Low | 45.7 | Very low | 88 Ų | 88 | 73.7 Ų | 73.7 | 46% | 0.461 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.4 | 138.6 | 169.1 | -72 | 162.8 | 0 | 0 | 0 | 107.5 | D24 R50 E53 | D24-L48 CarbonylContact O-C 3.52Å; D24-L48 WeakPolarHBondContact O-CA 3.41Å; L48-R50 PolarHBondContact O-N 3.12Å; L48-E53 PolarHBondContact N-OE2 3.17Å |
| 49 | R | 48.7 | Very low | 46.3 | Very low | 151 Ų | 151 | 78.4 Ų | 78.4 | 57% | 0.57 | 37% | 0.372 | S | S | * | . | S | Bend | trans | -60.7 | 9.3 | -176.1 | -146.3 | 176.7 | -174.5 | -174 | -2.7 | 114.8 | D24 E26 N51 | D24-R49 WeakPolarHBondContact O-CB 3.2Å; D24-R49 PolarHBondContact O-N 3.43Å; E26-R49 HydrophobicContact CG-CG 4.45Å; E26-R49 IonicContact OE1-NE 3.17Å; R49-N51 PolarHBondContact O-N 3.05Å; R49-N51 VanDerWaalsContact O-N 3.16Å |
| 50 | R | 47.6 | Very low | 46.3 | Very low | 186 Ų | 186 | 81.5 Ų | 81.5 | 70% | 0.702 | 38% | 0.382 | S | S | * | . | trans | -68.4 | 110.4 | 170.6 | -69.7 | -175.9 | 174.3 | -180 | -1.7 | 107.6 | L48 S52 E53 | L48-R50 PolarHBondContact O-N 3.12Å; R50-S52 WeakPolarHBondContact CB-OG 3.2Å; R50-S52 PolarHBondContact O-N 3.16Å; R50-E53 PolarHBondContact O-N 3.39Å | ||
| 51 | N | 46.8 | Very low | 46.3 | Very low | 126 Ų | 126 | 81.6 Ų | 81.6 | 67% | 0.674 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -41.1 | -32.6 | 172 | -70.4 | -20.9 | 0 | 0 | 0 | 112.5 | R49 E53 I54 D55 | R49-N51 PolarHBondContact O-N 3.05Å; R49-N51 VanDerWaalsContact O-N 3.16Å; N51-E53 VanDerWaalsContact C-N 3.3Å; N51-E53 PolarHBondContact O-N 3.29Å; N51-I54 PolarHBondContact O-N 3.12Å; N51-D55 VanDerWaalsContact O-CB 3.26Å; N51-D55 WeakPolarHBondContact O-CB 3.19Å; N51-D55 PolarHBondContact O-N 3.14Å |
| 52 | S | 41.1 | Very low | 45.9 | Very low | 73 Ų | 73 | 90.3 Ų | 90.3 | 51% | 0.51 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -57.9 | -30.9 | 175.9 | 64.5 | 0 | 0 | 0 | 0 | 115.2 | R50 Y56 | R50-S52 WeakPolarHBondContact CB-OG 3.2Å; R50-S52 PolarHBondContact O-N 3.16Å; S52-Y56 WeakPolarHBondContact O-CA 3.44Å; S52-Y56 WeakPolarHBondContact O-CB 3.19Å; S52-Y56 PolarHBondContact O-N 3.43Å |
| 53 | E | 43.5 | Very low | 45.2 | Very low | 63 Ų | 63 | 94.5 Ų | 94.5 | 29% | 0.294 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -81.1 | -38.3 | -179.1 | -82.6 | -175.3 | -177.8 | 0 | 0 | 112.6 | L47 L48 R50 N51 Y56 L57 | L47-E53 HydrophobicContact CD2-CB 4.49Å; L48-E53 PolarHBondContact N-OE2 3.17Å; R50-E53 PolarHBondContact O-N 3.39Å; N51-E53 VanDerWaalsContact C-N 3.3Å; N51-E53 PolarHBondContact O-N 3.29Å; E53-Y56 PolarHBondContact O-N 3.15Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 3.49Å |
| 54 | I | 45.3 | Very low | 44.7 | Very low | 38 Ų | 38 | 89.6 Ų | 89.6 | 20% | 0.195 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -68.2 | -44.2 | 171.5 | -65.3 | 173.6 | 0 | 0 | 0 | 109.1 | L47 N51 Y56 L57 L58 | L47-I54 HydrophobicContact CD1-CG1 3.69Å; N51-I54 PolarHBondContact O-N 3.12Å; I54-Y56 VanDerWaalsContact C-N 3.27Å; I54-Y56 PolarHBondContact O-N 3.42Å; I54-L57 PolarHBondContact O-N 3.45Å; I54-L58 HydrophobicContact CG2-CD1 3.8Å; I54-L58 HydrophobicContact CG2-CG 4.24Å; I54-L58 WeakPolarHBondContact O-CB 3.46Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 2.85Å |
| 55 | D | 47.8 | Very low | 44.3 | Very low | 78 Ų | 78 | 95.1 Ų | 95.1 | 42% | 0.417 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 172.7 | -73.1 | -24.9 | 0 | 0 | 0 | 111.7 | N51 L58 K59 | N51-D55 VanDerWaalsContact O-CB 3.26Å; N51-D55 WeakPolarHBondContact O-CB 3.19Å; N51-D55 PolarHBondContact O-N 3.14Å; D55-L58 PolarHBondContact O-N 3.29Å; D55-K59 WeakPolarHBondContact O-CA 3.17Å; D55-K59 WeakPolarHBondContact O-CB 3.26Å; D55-K59 WeakPolarHBondContact O-CG 3.34Å; D55-K59 PolarHBondContact O-N 3.49Å |
| 56 | Y | 42.5 | Very low | 43.8 | Very low | 130 Ų | 130 | 94 Ų | 94 | 51% | 0.51 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -65.6 | -46.1 | 174.4 | 176.4 | -95.3 | 0 | 0 | 0 | 110.7 | S52 E53 I54 L58 K59 Q60 | S52-Y56 WeakPolarHBondContact O-CA 3.44Å; S52-Y56 WeakPolarHBondContact O-CB 3.19Å; S52-Y56 PolarHBondContact O-N 3.43Å; E53-Y56 PolarHBondContact O-N 3.15Å; I54-Y56 VanDerWaalsContact C-N 3.27Å; I54-Y56 PolarHBondContact O-N 3.42Å; Y56-L58 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 3.01Å; Y56-K59 PolarHBondContact O-N 3.32Å; Y56-Q60 WeakPolarHBondContact O-CB 3.2Å; Y56-Q60 PolarHBondContact O-N 2.97Å; Y56-Q60 PolarHBondContact OH-NE2 3.47Å |
| 57 | L | 42 | Very low | 43.4 | Very low | 22 Ų | 22 | 90.9 Ų | 90.9 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 175.9 | -73.1 | 173.6 | 0 | 0 | 0 | 111.6 | L45 L47 E53 I54 N61 | L45-L57 HydrophobicContact CD1-CD1 3.79Å; L45-L57 HydrophobicContact CD1-CD2 4.37Å; L47-L57 HydrophobicContact CD1-CD1 3.44Å; L47-L57 VanDerWaalsContact CD1-CD1 3.44Å; L47-L57 HydrophobicContact CD2-CD1 3.75Å; L47-L57 HydrophobicContact CG-CD1 4.18Å; E53-L57 WeakPolarHBondContact O-CB 3.3Å; E53-L57 WeakPolarHBondContact O-CG 3.39Å; E53-L57 PolarHBondContact O-N 3.49Å; I54-L57 PolarHBondContact O-N 3.45Å; L57-N61 WeakPolarHBondContact O-CB 3.22Å; L57-N61 PolarHBondContact O-N 3.27Å; L57-N61 PolarHBondContact O-ND2 2.82Å |
| 58 | L | 46.1 | Very low | 43.1 | Very low | 82 Ų | 82 | 91.6 Ų | 91.6 | 43% | 0.429 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -67.9 | -40.3 | 174.8 | -71.3 | 171.2 | 0 | 0 | 0 | 111.2 | I54 D55 Y56 N61 R62 V68 | I54-L58 HydrophobicContact CG2-CD1 3.8Å; I54-L58 HydrophobicContact CG2-CG 4.24Å; I54-L58 WeakPolarHBondContact O-CB 3.46Å; I54-L58 WeakPolarHBondContact O-CG 3.44Å; I54-L58 PolarHBondContact O-N 2.85Å; D55-L58 PolarHBondContact O-N 3.29Å; Y56-L58 VanDerWaalsContact C-N 3.35Å; Y56-L58 PolarHBondContact O-N 3.01Å; L58-N61 CarbonylContact O-C 3.6Å; L58-N61 PolarHBondContact O-N 2.84Å; L58-R62 WeakPolarHBondContact O-CG 3.24Å; L58-R62 PolarHBondContact O-N 3.29Å; L58-V68 HydrophobicContact CD2-CB 4.02Å; L58-V68 HydrophobicContact CD2-CG2 3.94Å |
| 59 | K | 44.8 | Very low | 43.1 | Very low | 130 Ų | 130 | 89.8 Ų | 89.8 | 57% | 0.565 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -65.3 | -45.4 | 174.4 | -79.3 | 172.3 | -178.4 | -179.9 | 0 | 111.9 | D55 Y56 N61 R62 | D55-K59 WeakPolarHBondContact O-CA 3.17Å; D55-K59 WeakPolarHBondContact O-CB 3.26Å; D55-K59 WeakPolarHBondContact O-CG 3.34Å; D55-K59 PolarHBondContact O-N 3.49Å; Y56-K59 PolarHBondContact O-N 3.32Å; K59-N61 VanDerWaalsContact C-N 3.28Å; K59-N61 PolarHBondContact O-N 3.3Å; K59-R62 WeakPolarHBondContact O-CB 3.19Å; K59-R62 PolarHBondContact O-N 3.47Å |
| 60 | Q | 39.3 | Very low | 43.1 | Very low | 114 Ų | 114 | 87.3 Ų | 87.3 | 53% | 0.533 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71 | -27.9 | 179.4 | -160 | 176.4 | 38.8 | 0 | 0 | 111.5 | Y56 | Y56-Q60 WeakPolarHBondContact O-CB 3.2Å; Y56-Q60 PolarHBondContact O-N 2.97Å; Y56-Q60 PolarHBondContact OH-NE2 3.47Å |
| 61 | N | 41.7 | Very low | 43.5 | Very low | 34 Ų | 34 | 79.6 Ų | 79.6 | 18% | 0.182 | 41% | 0.413 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 6.7 | 174.1 | -69.8 | -52 | 0 | 0 | 0 | 113.9 | L57 L58 K59 N63 S64 A66 | L57-N61 WeakPolarHBondContact O-CB 3.22Å; L57-N61 PolarHBondContact O-N 3.27Å; L57-N61 PolarHBondContact O-ND2 2.82Å; L58-N61 CarbonylContact O-C 3.6Å; L58-N61 PolarHBondContact O-N 2.84Å; K59-N61 VanDerWaalsContact C-N 3.28Å; K59-N61 PolarHBondContact O-N 3.3Å; N61-N63 PolarHBondContact O-N 2.78Å; N61-S64 WeakPolarHBondContact CA-OG 3.29Å; N61-S64 WeakPolarHBondContact CB-OG 3.35Å; N61-S64 CarbonylContact O-C 3.53Å; N61-S64 PolarHBondContact O-N 3.13Å; N61-S64 PolarHBondContact O-OG 2.76Å; N61-S64 VanDerWaalsContact O-OG 3.08Å; N61-S64 PolarHBondContact OD1-OG 3.48Å; N61-S64 VanDerWaalsContact OD1-OG 3.08Å; N61-A66 HydrophobicContact CB-CB 4.32Å |
| 62 | R | 39.1 | Very low | 43.8 | Very low | 198 Ų | 198 | 78.4 Ų | 78.4 | 75% | 0.747 | 42% | 0.415 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.5 | -27.3 | 175.3 | -84.3 | 178.9 | 178.7 | -168.8 | -3.1 | 113 | L58 K59 | L58-R62 WeakPolarHBondContact O-CG 3.24Å; L58-R62 PolarHBondContact O-N 3.29Å; K59-R62 WeakPolarHBondContact O-CB 3.19Å; K59-R62 PolarHBondContact O-N 3.47Å |
| 63 | N | 35.2 | Very low | 44.3 | Very low | 143 Ų | 143 | 78 Ų | 78 | 77% | 0.765 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 7.9 | 178.9 | -65.9 | -14.5 | 0 | 0 | 0 | 113.9 | N61 | N61-N63 PolarHBondContact O-N 2.78Š|
| 64 | S | 37.1 | Very low | 44.6 | Very low | 36 Ų | 36 | 75.1 Ų | 75.1 | 25% | 0.252 | 40% | 0.395 | S | S | . | . | S | Bend | trans | -130.3 | 138.9 | -177.6 | 79.5 | 0 | 0 | 0 | 0 | 109.8 | N61 A66 | N61-S64 WeakPolarHBondContact CA-OG 3.29Å; N61-S64 WeakPolarHBondContact CB-OG 3.35Å; N61-S64 CarbonylContact O-C 3.53Å; N61-S64 PolarHBondContact O-N 3.13Å; N61-S64 PolarHBondContact O-OG 2.76Å; N61-S64 VanDerWaalsContact O-OG 3.08Å; N61-S64 PolarHBondContact OD1-OG 3.48Å; N61-S64 VanDerWaalsContact OD1-OG 3.08Å; S64-A66 PolarHBondContact O-N 3.43Å; S64-A66 WeakPolarHBondContact OG-CB 3.43Å |
| 65 | N | 41.6 | Very low | 44.9 | Very low | 137 Ų | 137 | 79.7 Ų | 79.7 | 73% | 0.733 | 41% | 0.41 | S | S | * | . | trans | -69.6 | 26.6 | 175.9 | -61.4 | -20.6 | 0 | 0 | 0 | 112.9 | P33 A67 | P33-N65 WeakPolarHBondContact CD-O 3.44Å; P33-N65 HydrophobicContact CG-CB 3.41Å; P33-N65 VanDerWaalsContact CG-CB 3.41Å; N65-A67 PolarHBondContact O-N 2.67Å | ||
| 66 | A | 37 | Very low | 45.1 | Very low | 13 Ų | 13 | 84.3 Ų | 84.3 | 11% | 0.107 | 43% | 0.427 | C | S | . | . | trans | -79 | 118.4 | -176.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | I30 V31 K32 N61 S64 | I30-A66 HydrophobicContact CG2-CB 3.98Å; V31-A66 CarbonylContact O-C 3.48Å; V31-A66 VanDerWaalsContact O-CA 3.22Å; V31-A66 WeakPolarHBondContact O-CA 2.95Å; K32-A66 HydrophobicContact CG-CB 4.12Å; N61-A66 HydrophobicContact CB-CB 4.32Å; S64-A66 PolarHBondContact O-N 3.43Å; S64-A66 WeakPolarHBondContact OG-CB 3.43Å | ||
| 67 | A | 44.9 | Very low | 45.4 | Very low | 49 Ų | 49 | 80 Ų | 80 | 41% | 0.405 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84 | 131.3 | 167.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | I30 V31 N65 | I30-A67 WeakPolarHBondContact CA-O 3.17Å; V31-A67 HydrophobicContact CB-CB 4.41Å; V31-A67 PolarHBondContact N-O 3.4Å; V31-A67 PolarHBondContact O-N 3.39Å; N65-A67 PolarHBondContact O-N 2.67Å |
| 68 | V | 42 | Very low | 45.4 | Very low | 33 Ų | 33 | 80.6 Ų | 80.6 | 20% | 0.2 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.6 | 110.4 | 177.1 | -177.5 | 0 | 0 | 0 | 0 | 107 | V28 R29 L58 | V28-V68 HydrophobicContact CG1-CB 4.43Å; V28-V68 HydrophobicContact CG1-CG1 3.13Å; R29-V68 WeakPolarHBondContact O-CA 3.4Å; L58-V68 HydrophobicContact CD2-CB 4.02Å; L58-V68 HydrophobicContact CD2-CG2 3.94Å |
| 69 | T | 52 | Low | 45.3 | Very low | 49 Ų | 49 | 82.8 Ų | 82.8 | 30% | 0.301 | 42% | 0.423 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 139.5 | 179.9 | 58.4 | 0 | 0 | 0 | 0 | 110.6 | V28 R29 D71 | V28-T69 CarbonylContact C-O 3.58Å; R29-T69 WeakPolarHBondContact CB-O 3.4Å; R29-T69 PolarHBondContact N-O 3.36Å; R29-T69 PolarHBondContact O-N 3.47Å; T69-D71 PolarHBondContact O-N 3.11Å |
| 70 | T | 47.7 | Very low | 44.9 | Very low | 100 Ų | 100 | 79.2 Ų | 79.2 | 61% | 0.613 | 42% | 0.418 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -74.4 | 120.4 | 169.9 | 48.3 | 0 | 0 | 0 | 0 | 108.2 | E26 V28 | E26-T70 WeakPolarHBondContact OE2-CG2 3.39Å; V28-T70 HydrophobicContact CG2-CG2 4.43Å |
| 71 | D | 56.3 | Low | 44.3 | Very low | 24 Ų | 24 | 77.5 Ų | 77.5 | 13% | 0.128 | 43% | 0.43 | C | S | . | . | trans | -134 | 115.2 | -172 | -164.5 | -12.7 | 0 | 0 | 0 | 111.8 | F27 R29 T69 V73 C74 | F27-D71 PolarHBondContact O-N 2.82Å; R29-D71 HydrophobicContact CB-CB 3.67Å; R29-D71 WeakPolarHBondContact CD-OD2 3.33Å; R29-D71 HydrophobicContact CG-CB 4.49Å; R29-D71 IonicContact CZ-OD2 3.81Å; R29-D71 IonicContact NE-OD2 3.85Å; R29-D71 IonicContact NH1-OD2 2.92Å; R29-D71 PolarHBondContact NH1-OD2 2.71Å; T69-D71 PolarHBondContact O-N 3.11Å; D71-V73 PolarHBondContact O-N 3.42Å; D71-V73 WeakPolarHBondContact OD1-CB 3.11Å; D71-V73 VanDerWaalsContact OD1-CG2 3.29Å; D71-V73 WeakPolarHBondContact OD1-CG2 3.38Å; D71-V73 PolarHBondContact OD1-N 2.8Å; D71-C74 HydrophobicContact CB-CB 4.37Å; D71-C74 WeakPolarHBondContact O-CB 3.44Å; D71-C74 PolarHBondContact O-N 2.89Å | ||
| 72 | S | 52.6 | Low | 43.6 | Very low | 101 Ų | 101 | 85.2 Ų | 85.2 | 71% | 0.706 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -59.4 | -22.7 | 171.9 | 68.2 | 0 | 0 | 0 | 0 | 113.1 | C74 R75 | S72-C74 VanDerWaalsContact C-N 3.33Å; S72-R75 WeakPolarHBondContact O-CB 3.12Å; S72-R75 PolarHBondContact O-N 2.83Å |
| 73 | V | 52.3 | Low | 43.2 | Very low | 65 Ų | 65 | 82.3 Ų | 82.3 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.2 | -33.2 | 172.9 | -178.9 | 0 | 0 | 0 | 0 | 111 | D71 R75 K76 R77 | D71-V73 PolarHBondContact O-N 3.42Å; D71-V73 WeakPolarHBondContact OD1-CB 3.11Å; D71-V73 VanDerWaalsContact OD1-CG2 3.29Å; D71-V73 WeakPolarHBondContact OD1-CG2 3.38Å; D71-V73 PolarHBondContact OD1-N 2.8Å; V73-R75 PolarHBondContact O-N 3.28Å; V73-K76 PolarHBondContact O-N 3.27Å; V73-R77 PolarHBondContact O-N 2.87Å |
| 74 | C | 50.3 | Low | 42.9 | Very low | 1 Ų | 1 | 76.3 Ų | 76.3 | 1% | 0.007 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.2 | -25.8 | 174.1 | -85.5 | 0 | 0 | 0 | 0 | 112.5 | F27 R29 C44 D71 S72 K76 R77 C78 | F27-C74 HydrophobicContact CB-CB 3.91Å; R29-C74 VanDerWaalsContact CB-SG 3.55Å; C44-C74 WeakPolarHBondContact CA-SG 3.46Å; C44-C74 HydrophobicContact CB-CB 3.53Å; C44-C74 WeakPolarHBondContact CB-SG 3.11Å; C44-C74 WeakPolarHBondContact SG-CA 2.98Å; C44-C74 WeakPolarHBondContact SG-CB 3.41Å; C44-C74 CovalentContact SG-SG 2.04Å; C44-C74 PolarHBondContact SG-SG 3.45Å; D71-C74 HydrophobicContact CB-CB 4.37Å; D71-C74 WeakPolarHBondContact O-CB 3.44Å; D71-C74 PolarHBondContact O-N 2.89Å; S72-C74 VanDerWaalsContact C-N 3.33Å; C74-K76 VanDerWaalsContact C-N 3.33Å; C74-K76 PolarHBondContact O-N 2.95Å; C74-R77 PolarHBondContact O-N 2.93Å; C74-C78 WeakPolarHBondContact O-CB 3.12Å; C74-C78 PolarHBondContact O-N 3.41Å |
| 75 | R | 51.2 | Low | 42.5 | Very low | 134 Ų | 134 | 83.7 Ų | 83.7 | 51% | 0.506 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -54.1 | -48.6 | 171.2 | -174.1 | 166 | -176.7 | -173.9 | 1.8 | 111.9 | F27 S72 V73 R77 H79 | F27-R75 HydrophobicContact CB-CB 4.42Å; F27-R75 VanDerWaalsContact CD1-CA 3.45Å; F27-R75 HydrophobicContact CD1-CB 4.2Å; F27-R75 HydrophobicContact CD2-CB 3.54Å; F27-R75 HydrophobicContact CD2-CG 3.75Å; F27-R75 HydrophobicContact CE1-CB 4.34Å; F27-R75 HydrophobicContact CE1-CG 4.33Å; F27-R75 HydrophobicContact CE2-CB 3.73Å; F27-R75 HydrophobicContact CE2-CG 3.38Å; F27-R75 VanDerWaalsContact CG-CA 3.47Å; F27-R75 HydrophobicContact CG-CB 3.78Å; F27-R75 HydrophobicContact CG-CG 4.36Å; F27-R75 HydrophobicContact CZ-CB 4.11Å; F27-R75 HydrophobicContact CZ-CG 3.68Å; S72-R75 WeakPolarHBondContact O-CB 3.12Å; S72-R75 PolarHBondContact O-N 2.83Å; V73-R75 PolarHBondContact O-N 3.28Å; R75-R77 VanDerWaalsContact C-N 3.34Å; R75-R77 PolarHBondContact O-N 2.89Å; R75-H79 PolarHBondContact O-CD2 3.13Å; R75-H79 PolarHBondContact O-N 3.42Å |
| 76 | K | 51.4 | Low | 41.9 | Very low | 176 Ų | 176 | 82.2 Ų | 82.2 | 77% | 0.765 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.4 | -33.4 | -179.9 | -68.4 | -173.6 | 178.8 | -177.7 | 0 | 112.7 | V73 C74 | V73-K76 PolarHBondContact O-N 3.27Å; C74-K76 VanDerWaalsContact C-N 3.33Å; C74-K76 PolarHBondContact O-N 2.95Å |
| 77 | R | 48.6 | Very low | 41.5 | Very low | 38 Ų | 38 | 88.1 Ų | 88.1 | 14% | 0.143 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -86.7 | -35.3 | -176.4 | -60.8 | -166.7 | -164.1 | -174.2 | 17 | 114 | V73 C74 R75 A80 A84 R85 T88 | V73-R77 PolarHBondContact O-N 2.87Å; C74-R77 PolarHBondContact O-N 2.93Å; R75-R77 VanDerWaalsContact C-N 3.34Å; R75-R77 PolarHBondContact O-N 2.89Å; R77-A80 PolarHBondContact O-N 3.4Å; R77-A84 HydrophobicContact CB-CB 4.48Å; R77-R85 PolarHBondContact NH1-O 3.18Å; R77-T88 PolarHBondContact NH1-OG1 3.3Å; R77-T88 PolarHBondContact NH2-O 2.9Å; R77-T88 PolarHBondContact NH2-OG1 3.43Å |
| 78 | C | 42.7 | Very low | 40.7 | Very low | 36 Ų | 36 | 90.2 Ų | 90.2 | 24% | 0.243 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -65.2 | -38.4 | 173 | -78.4 | 0 | 0 | 0 | 0 | 112 | F27 C44 C74 A80 G81 | F27-C78 HydrophobicContact CD1-CB 3.73Å; F27-C78 HydrophobicContact CE1-CB 3.63Å; C44-C78 WeakPolarHBondContact CB-SG 3.5Å; C44-C78 PolarHBondContact O-SG 3.32Å; C44-C78 VanDerWaalsContact O-SG 3.39Å; C74-C78 WeakPolarHBondContact O-CB 3.12Å; C74-C78 PolarHBondContact O-N 3.41Å; C78-A80 PolarHBondContact O-N 2.98Å; C78-G81 PolarHBondContact O-N 2.81Å |
| 79 | H | 43.8 | Very low | 40.1 | Very low | 128 Ų | 128 | 89.1 Ų | 89.1 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23 | 173.6 | -86.4 | -65 | 0 | 0 | 0 | 113.3 | F27 R75 | F27-H79 AromaticContact CZ-NE2 3.98Å; R75-H79 PolarHBondContact O-CD2 3.13Å; R75-H79 PolarHBondContact O-N 3.42Å |
| 80 | A | 36.3 | Very low | 38.8 | Very low | 55 Ų | 55 | 94.6 Ų | 94.6 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -0.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | R77 C78 R82 | R77-A80 PolarHBondContact O-N 3.4Å; C78-A80 PolarHBondContact O-N 2.98Å; A80-R82 HydrophobicContact CB-CB 4.28Å; A80-R82 HydrophobicContact CB-CG 4.28Å; A80-R82 WeakPolarHBondContact O-CG 2.98Å; A80-R82 PolarHBondContact O-N 2.84Å |
| 81 | G | 26.1 | Very low | 37.8 | Very low | 77 Ų | 77 | 97.3 Ų | 97.3 | 79% | 0.794 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.1 | 12.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | C78 | C78-G81 PolarHBondContact O-N 2.81Š|
| 82 | R | 28.3 | Very low | 36.4 | Very low | 197 Ų | 197 | 98.9 Ų | 98.9 | 74% | 0.743 | 51% | 0.509 | S | S | * | . | trans | -96.7 | 125.9 | -171.9 | -79.1 | 177.5 | -177 | -179.5 | 0.8 | 110.1 | A80 A84 | A80-R82 HydrophobicContact CB-CB 4.28Å; A80-R82 HydrophobicContact CB-CG 4.28Å; A80-R82 WeakPolarHBondContact O-CG 2.98Å; A80-R82 PolarHBondContact O-N 2.84Å; R82-A84 PolarHBondContact O-N 3.18Å | ||
| 83 | L | 29.9 | Very low | 35 | Very low | 137 Ų | 137 | 99.5 Ų | 99.5 | 72% | 0.717 | 51% | 0.508 | S | S | * | . | trans | -55.6 | 124.8 | 158 | -75.8 | 167.1 | 0 | 0 | 0 | 107.9 | R85 | L83-R85 PolarHBondContact O-N 2.86Š| ||
| 84 | A | 28.8 | Very low | 33.8 | Very low | 17 Ų | 17 | 102.4 Ų | 102.4 | 14% | 0.14 | 52% | 0.521 | C | S | . | . | trans | -74.7 | 100.7 | -169.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | L41 R77 R82 | L41-A84 HydrophobicContact CD2-CB 3.21Å; L41-A84 HydrophobicContact CG-CB 3.98Å; R77-A84 HydrophobicContact CB-CB 4.48Å; R82-A84 PolarHBondContact O-N 3.18Å | ||
| 85 | R | 28.7 | Very low | 32.6 | Very low | 190 Ų | 190 | 107.2 Ų | 107.2 | 72% | 0.717 | 55% | 0.546 | S | S | * | . | trans | -54.5 | 142.4 | 178 | -75.4 | -173 | 176.8 | -175.9 | -0.9 | 111.6 | R77 L83 E87 T88 | R77-R85 PolarHBondContact NH1-O 3.18Å; L83-R85 PolarHBondContact O-N 2.86Å; R85-E87 PolarHBondContact O-N 3.05Å; R85-E87 VanDerWaalsContact O-N 3.15Å; R85-T88 PolarHBondContact O-OG1 2.82Å; R85-T88 VanDerWaalsContact O-OG1 3.09Å | ||
| 86 | L | 29.1 | Very low | 31.3 | Very low | 106 Ų | 106 | 106 Ų | 106 | 56% | 0.555 | 56% | 0.556 | S | S | * | * | G | 310 helix | trans | -53 | -31.9 | -178.1 | -115.3 | 118.8 | 0 | 0 | 0 | 113.6 | T40 T88 I89 | T40-L86 HydrophobicContact CG2-CD1 3.94Å; T40-L86 HydrophobicContact CG2-CG 4.36Å; L86-T88 PolarHBondContact O-N 3.19Å; L86-I89 PolarHBondContact O-N 2.83Å |
| 87 | E | 27.8 | Very low | 30.1 | Very low | 137 Ų | 137 | 107.5 Ų | 107.5 | 64% | 0.64 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -63.2 | -16.4 | -170.4 | -67.3 | 167.4 | 163 | 0 | 0 | 114.5 | R85 | R85-E87 PolarHBondContact O-N 3.05Å; R85-E87 VanDerWaalsContact O-N 3.15Å |
| 88 | T | 29.5 | Very low | 29 | Very low | 93 Ų | 93 | 113.3 Ų | 113.3 | 57% | 0.571 | 59% | 0.585 | S | S | * | * | G | 310 helix | trans | -105.5 | 22.8 | -175.4 | 32.3 | 0 | 0 | 0 | 0 | 113.1 | R77 R85 L86 | R77-T88 PolarHBondContact NH1-OG1 3.3Å; R77-T88 PolarHBondContact NH2-O 2.9Å; R77-T88 PolarHBondContact NH2-OG1 3.43Å; R85-T88 PolarHBondContact O-OG1 2.82Å; R85-T88 VanDerWaalsContact O-OG1 3.09Å; L86-T88 PolarHBondContact O-N 3.19Å |
| 89 | I | 29.2 | Very low | 28.1 | Very low | 10 Ų | 10 | 117.7 Ų | 117.7 | 5% | 0.051 | 61% | 0.606 | C | S | . | * | trans | -117.8 | -7.8 | -177.4 | -64.1 | 160.6 | 0 | 0 | 0 | 112.5 | P39 L41 L86 N91 V92 | P39-I89 HydrophobicContact CG-CG2 4.14Å; P39-I89 WeakPolarHBondContact O-CG2 3.48Å; L41-I89 HydrophobicContact CB-CD1 3.27Å; L41-I89 HydrophobicContact CB-CG1 4.46Å; L41-I89 HydrophobicContact CD1-CD1 4.02Å; L41-I89 HydrophobicContact CD1-CG1 4.5Å; L41-I89 HydrophobicContact CD2-CD1 3.41Å; L41-I89 VanDerWaalsContact CD2-CD1 3.41Å; L41-I89 HydrophobicContact CD2-CG1 3.81Å; L41-I89 HydrophobicContact CG-CD1 3.72Å; L41-I89 HydrophobicContact CG-CG1 4.48Å; L86-I89 PolarHBondContact O-N 2.83Å; I89-N91 PolarHBondContact O-N 3.23Å; I89-V92 PolarHBondContact O-N 3.36Å | ||
| 90 | Q | 25 | Very low | 27.1 | Very low | 165 Ų | 165 | 117 Ų | 117 | 77% | 0.771 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -3.5 | -170.4 | -70.8 | 178.9 | -21.1 | 0 | 0 | 115.3 | ||
| 91 | N | 25.6 | Very low | 26.4 | Very low | 156 Ų | 156 | 121.5 Ų | 121.5 | 83% | 0.834 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.6 | 19.8 | -174.6 | -64 | -26.5 | 0 | 0 | 0 | 115.2 | I89 | I89-N91 PolarHBondContact O-N 3.23Š|
| 92 | V | 27.4 | Very low | 26.3 | Very low | 58 Ų | 58 | 124.4 Ų | 124.4 | 35% | 0.352 | 62% | 0.618 | S | S | . | * | trans | -104.4 | 98.8 | 178.6 | -173.1 | 0 | 0 | 0 | 0 | 111.1 | I89 L94 | I89-V92 PolarHBondContact O-N 3.36Å; V92-L94 HydrophobicContact CG1-CD1 3.52Å; V92-L94 HydrophobicContact CG1-CG 3.84Å; V92-L94 PolarHBondContact O-N 2.78Å | ||
| 93 | V | 23.5 | Very low | 26 | Very low | 113 Ų | 113 | 123.3 Ų | 123.3 | 69% | 0.685 | 63% | 0.625 | S | S | * | * | trans | -73.1 | 107.1 | 170 | 179.5 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 94 | L | 27.7 | Very low | 25.7 | Very low | 126 Ų | 126 | 119.6 Ų | 119.6 | 66% | 0.66 | 62% | 0.619 | S | S | * | * | trans | -126.6 | 126.4 | 172.7 | -82.2 | 161.9 | 0 | 0 | 0 | 109.9 | V92 | V92-L94 HydrophobicContact CG1-CD1 3.52Å; V92-L94 HydrophobicContact CG1-CG 3.84Å; V92-L94 PolarHBondContact O-N 2.78Å | ||
| 95 | L | 24.1 | Very low | 25.5 | Very low | 102 Ų | 102 | 129.8 Ų | 129.8 | 53% | 0.534 | 65% | 0.654 | S | S | . | * | trans | -74.9 | 142 | -166.4 | -67.8 | 149.4 | 0 | 0 | 0 | 111.7 | W113 | L95-W113 HydrophobicContact CD1-CZ2 4Å; L95-W113 HydrophobicContact CD2-CZ2 3.94Å; L95-W113 HydrophobicContact CG-CZ2 4.38Å | ||
| 96 | P | 24.7 | Very low | 25.3 | Very low | 109 Ų | 109 | 132.7 Ų | 132.7 | 71% | 0.708 | 67% | 0.665 | S | S | * | * | trans | -84 | 129 | 174 | 32.6 | -28.7 | 0 | 0 | 0 | 110.4 | ||||
| 97 | R | 25.5 | Very low | 25.2 | Very low | 208 Ų | 208 | 138 Ų | 138 | 79% | 0.785 | 68% | 0.678 | S | S | * | * | trans | 163.8 | 126.4 | 133.3 | -91.3 | -179.4 | 179.1 | -159.8 | 0 | 114.7 | ||||
| 98 | E | 26.3 | Very low | 25.3 | Very low | 159 Ų | 159 | 138.2 Ų | 138.2 | 74% | 0.743 | 68% | 0.684 | S | S | * | * | S | Bend | 29.4 | 102.4 | 126.8 | -64.2 | 162.7 | -167.3 | 0 | 0 | 117.5 | |||
| 99 | D | 22.8 | Very low | 25.4 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 68% | 0.684 | 69% | 0.687 | S | S | * | * | trans | 78.2 | 20.6 | 155.7 | -53.6 | -14 | 0 | 0 | 0 | 123.2 | ||||
| 100 | L | 22.7 | Very low | 25.7 | Very low | 115 Ų | 115 | 149.2 Ų | 149.2 | 60% | 0.602 | 72% | 0.719 | S | S | * | * | trans | -93.7 | 121.3 | 167.3 | -72.9 | 158.7 | 0 | 0 | 0 | 110 | L102 | L100-L102 HydrophobicContact CD2-CD1 4.19Š| ||
| 101 | I | 22.7 | Very low | 26.1 | Very low | 148 Ų | 148 | 144.3 Ų | 144.3 | 76% | 0.759 | 70% | 0.702 | S | S | * | * | cis | 29.8 | 83.1 | 45.7 | -51.7 | -178.3 | 0 | 0 | 0 | 111.5 | ||||
| 102 | L | 22.8 | Very low | 26.7 | Very low | 138 Ų | 138 | 140.2 Ų | 140.2 | 72% | 0.723 | 68% | 0.68 | S | S | * | * | 174.1 | 111.2 | 129 | -94.3 | 147.9 | 0 | 0 | 0 | 107.6 | L100 G104 | L100-L102 HydrophobicContact CD2-CD1 4.19Å; L102-G104 PolarHBondContact O-N 2.75Å | |||
| 103 | I | 23 | Very low | 27.1 | Very low | 175 Ų | 175 | 143.4 Ų | 143.4 | 90% | 0.897 | 69% | 0.686 | S | S | * | * | trans | -60.4 | 87.1 | 160.1 | -61.9 | 171.8 | 0 | 0 | 0 | 105.7 | R105 | I103-R105 PolarHBondContact O-N 3.4Š| ||
| 104 | G | 23 | Very low | 27.9 | Very low | 58 Ų | 58 | 143.6 Ų | 143.6 | 60% | 0.598 | 68% | 0.68 | S | S | * | * | trans | -68.4 | 93.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | L102 R106 | L102-G104 PolarHBondContact O-N 2.75Å; G104-R106 PolarHBondContact O-N 3.32Å | ||
| 105 | R | 23.9 | Very low | 28.5 | Very low | 232 Ų | 232 | 140.1 Ų | 140.1 | 88% | 0.875 | 67% | 0.669 | S | S | * | * | trans | -53.7 | 124.4 | 168.7 | -153.8 | 175.4 | -178.6 | 179.7 | 0.4 | 107.9 | I103 R107 | I103-R105 PolarHBondContact O-N 3.4Å; R105-R107 PolarHBondContact O-N 3.5Å | ||
| 106 | R | 24.6 | Very low | 29.2 | Very low | 250 Ų | 250 | 138.5 Ų | 138.5 | 94% | 0.943 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -39.9 | 102 | -179.5 | -85.3 | -176.5 | 168.5 | -173.3 | -2.9 | 112.4 | G104 | G104-R106 PolarHBondContact O-N 3.32Š|
| 107 | R | 26.8 | Very low | 29.9 | Very low | 218 Ų | 218 | 139.4 Ų | 139.4 | 82% | 0.823 | 66% | 0.655 | S | S | * | * | trans | -144.2 | 158.8 | 154.2 | -74.2 | -163.7 | 176.4 | -177.3 | -0.8 | 109.5 | R105 | R105-R107 PolarHBondContact O-N 3.5Š| ||
| 108 | N | 31 | Very low | 30.9 | Very low | 142 Ų | 142 | 136.3 Ų | 136.3 | 76% | 0.759 | 65% | 0.647 | S | S | * | * | trans | -49 | 137.6 | -160.9 | -108.2 | -21.5 | 0 | 0 | 0 | 115.5 | K110 S111 | N108-K110 PolarHBondContact O-N 2.75Å; N108-S111 PolarHBondContact O-N 3.48Å; N108-S111 PolarHBondContact O-OG 3.26Å | ||
| 109 | R | 31.3 | Very low | 31.6 | Very low | 170 Ų | 170 | 132.7 Ų | 132.7 | 64% | 0.642 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.1 | -26 | -171.1 | -160.6 | 179.2 | -176.4 | -176.3 | 0.7 | 115.2 | ||
| 110 | K | 35.8 | Very low | 32.4 | Very low | 164 Ų | 164 | 132.9 Ų | 132.9 | 71% | 0.713 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -82.9 | -41.3 | -175.3 | -150.3 | 177.2 | -179.2 | -174.1 | 0 | 112.9 | N108 N112 W113 E114 | N108-K110 PolarHBondContact O-N 2.75Å; K110-N112 PolarHBondContact O-N 3.35Å; K110-W113 PolarHBondContact O-N 3.39Å; K110-E114 PolarHBondContact O-N 3.48Å |
| 111 | S | 33.8 | Very low | 33.3 | Very low | 62 Ų | 62 | 133.5 Ų | 133.5 | 43% | 0.434 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.7 | -29.2 | -178.1 | 76.9 | 0 | 0 | 0 | 0 | 113.4 | N108 A115 | N108-S111 PolarHBondContact O-N 3.48Å; N108-S111 PolarHBondContact O-OG 3.26Å; S111-A115 VanDerWaalsContact O-CB 3.29Å; S111-A115 WeakPolarHBondContact O-CB 3.31Å; S111-A115 PolarHBondContact O-N 2.8Å; S111-A115 VanDerWaalsContact O-N 3.09Å |
| 112 | N | 37.1 | Very low | 34.4 | Very low | 69 Ų | 69 | 130.7 Ų | 130.7 | 37% | 0.369 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -70.3 | -36 | 177.4 | -78.9 | -5.1 | 0 | 0 | 0 | 111.8 | K110 I116 | K110-N112 PolarHBondContact O-N 3.35Å; N112-I116 WeakPolarHBondContact O-CB 3.09Å; N112-I116 VanDerWaalsContact O-CD1 3.28Å; N112-I116 WeakPolarHBondContact O-CD1 3.04Å; N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 2.04Å |
| 113 | W | 35.4 | Very low | 35.1 | Very low | 125 Ų | 125 | 129.3 Ų | 129.3 | 47% | 0.473 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -67.9 | -47.5 | 176.5 | -92.1 | 115.4 | 0 | 0 | 0 | 112.1 | L95 K110 A115 I116 E117 | L95-W113 HydrophobicContact CD1-CZ2 4Å; L95-W113 HydrophobicContact CD2-CZ2 3.94Å; L95-W113 HydrophobicContact CG-CZ2 4.38Å; K110-W113 PolarHBondContact O-N 3.39Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 2.76Å; W113-I116 PolarHBondContact O-N 3.18Å; W113-E117 WeakPolarHBondContact O-CB 3.42Å; W113-E117 PolarHBondContact O-N 2.72Å |
| 114 | E | 42.2 | Very low | 35.8 | Very low | 117 Ų | 117 | 124 Ų | 124 | 55% | 0.547 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -61.3 | -39.3 | 177.1 | -70.6 | 168.3 | -174.9 | 0 | 0 | 112.2 | K110 K118 | K110-E114 PolarHBondContact O-N 3.48Å; E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 PolarHBondContact O-N 2.86Å |
| 115 | A | 39.8 | Very low | 36.7 | Very low | 53 Ų | 53 | 123.5 Ų | 123.5 | 44% | 0.438 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -68.2 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | S111 W113 T119 | S111-A115 VanDerWaalsContact O-CB 3.29Å; S111-A115 WeakPolarHBondContact O-CB 3.31Å; S111-A115 PolarHBondContact O-N 2.8Å; S111-A115 VanDerWaalsContact O-N 3.09Å; W113-A115 VanDerWaalsContact C-N 3.33Å; W113-A115 PolarHBondContact O-N 2.76Å; A115-T119 WeakPolarHBondContact O-CB 3.22Å; A115-T119 PolarHBondContact O-N 3.02Å; A115-T119 VanDerWaalsContact O-N 3.09Å; A115-T119 PolarHBondContact O-OG1 3.4Å |
| 116 | I | 38.3 | Very low | 37.4 | Very low | 68 Ų | 68 | 116.3 Ų | 116.3 | 35% | 0.349 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66.8 | -45.4 | 177.3 | -70.8 | 165.8 | 0 | 0 | 0 | 110.3 | N112 W113 T119 F120 | N112-I116 WeakPolarHBondContact O-CB 3.09Å; N112-I116 VanDerWaalsContact O-CD1 3.28Å; N112-I116 WeakPolarHBondContact O-CD1 3.04Å; N112-I116 WeakPolarHBondContact O-CG1 3.45Å; N112-I116 PolarHBondContact O-N 2.04Å; W113-I116 PolarHBondContact O-N 3.18Å; I116-T119 PolarHBondContact O-N 2.76Å; I116-F120 WeakPolarHBondContact O-CB 3.33Å; I116-F120 PolarHBondContact O-N 3.46Å |
| 117 | E | 38.4 | Very low | 37.9 | Very low | 128 Ų | 128 | 110.2 Ų | 110.2 | 60% | 0.598 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -62.4 | -44.1 | 179.4 | -169 | 171.1 | -155.7 | 0 | 0 | 111.8 | W113 F120 H121 | W113-E117 WeakPolarHBondContact O-CB 3.42Å; W113-E117 PolarHBondContact O-N 2.72Å; E117-F120 PolarHBondContact O-N 3.36Å; E117-H121 PolarHBondContact O-N 2.92Å |
| 118 | K | 47.5 | Very low | 38.2 | Very low | 144 Ų | 144 | 105.9 Ų | 105.9 | 63% | 0.626 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -60.9 | -46.3 | 175.1 | -172.5 | 177.6 | -179.9 | -179.8 | 0 | 112.4 | E114 F120 H121 D122 | E114-K118 VanDerWaalsContact O-CB 3.32Å; E114-K118 WeakPolarHBondContact O-CB 3.41Å; E114-K118 PolarHBondContact O-N 2.86Å; K118-F120 VanDerWaalsContact C-N 3.32Å; K118-F120 PolarHBondContact O-N 2.8Å; K118-H121 PolarHBondContact O-N 2.82Å; K118-D122 PolarHBondContact O-N 2.87Å |
| 119 | T | 41.9 | Very low | 38.6 | Very low | 82 Ų | 82 | 104.5 Ų | 104.5 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -38.4 | -179.2 | -49.1 | 0 | 0 | 0 | 0 | 111.4 | A115 I116 I123 | A115-T119 WeakPolarHBondContact O-CB 3.22Å; A115-T119 PolarHBondContact O-N 3.02Å; A115-T119 VanDerWaalsContact O-N 3.09Å; A115-T119 PolarHBondContact O-OG1 3.4Å; I116-T119 PolarHBondContact O-N 2.76Å; T119-I123 HydrophobicContact CG2-CD1 4.2Å; T119-I123 WeakPolarHBondContact O-CD1 3.5Å; T119-I123 VanDerWaalsContact O-CG1 3.28Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 3.44Å |
| 120 | F | 38.2 | Very low | 39 | Very low | 133 Ų | 133 | 103.6 Ų | 103.6 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.6 | -41.8 | 176.4 | -159.4 | -101.1 | 0 | 0 | 0 | 111.8 | I116 E117 K118 I123 I124 | I116-F120 WeakPolarHBondContact O-CB 3.33Å; I116-F120 PolarHBondContact O-N 3.46Å; E117-F120 PolarHBondContact O-N 3.36Å; K118-F120 VanDerWaalsContact C-N 3.32Å; K118-F120 PolarHBondContact O-N 2.8Å; F120-I123 PolarHBondContact O-N 3.5Å; F120-I124 HydrophobicContact CD1-CD1 3.59Å; F120-I124 HydrophobicContact CE1-CD1 3.4Å; F120-I124 HydrophobicContact CE1-CG1 4.48Å; F120-I124 HydrophobicContact CZ-CD1 4.2Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.34Å |
| 121 | H | 42.9 | Very low | 39 | Very low | 127 Ų | 127 | 101.5 Ų | 101.5 | 59% | 0.588 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65.5 | -40.2 | 176.3 | -107.2 | -43.8 | 0 | 0 | 0 | 113.5 | E117 K118 I124 S125 | E117-H121 PolarHBondContact O-N 2.92Å; K118-H121 PolarHBondContact O-N 2.82Å; H121-I124 PolarHBondContact O-N 3.27Å; H121-S125 WeakPolarHBondContact O-CB 3.41Å; H121-S125 PolarHBondContact O-N 3.39Å; H121-S125 PolarHBondContact O-OG 3.27Å; H121-S125 VanDerWaalsContact O-OG 3.06Å |
| 122 | D | 44.2 | Very low | 38.7 | Very low | 90 Ų | 90 | 104.5 Ų | 104.5 | 48% | 0.481 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -38.8 | 177.6 | -75.4 | -15.7 | 0 | 0 | 0 | 111.8 | K118 S125 T126 | K118-D122 PolarHBondContact O-N 2.87Å; D122-S125 PolarHBondContact O-OG 3.05Å; D122-S125 VanDerWaalsContact O-OG 3.07Å; D122-T126 WeakPolarHBondContact O-CB 3.45Å; D122-T126 PolarHBondContact O-N 3.46Å; D122-T126 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact O-OG1 3.37Å |
| 123 | I | 39 | Very low | 38.5 | Very low | 109 Ų | 109 | 109 Ų | 109 | 56% | 0.559 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.3 | -46.1 | 177.8 | -68.5 | 167.1 | 0 | 0 | 0 | 111.1 | T119 F120 F127 | T119-I123 HydrophobicContact CG2-CD1 4.2Å; T119-I123 WeakPolarHBondContact O-CD1 3.5Å; T119-I123 VanDerWaalsContact O-CG1 3.28Å; T119-I123 WeakPolarHBondContact O-CG1 3.44Å; T119-I123 PolarHBondContact O-N 3.44Å; F120-I123 PolarHBondContact O-N 3.5Å; I123-F127 WeakPolarHBondContact O-CB 3.28Å; I123-F127 PolarHBondContact O-N 2.85Å; I123-F127 VanDerWaalsContact O-N 3.09Å |
| 124 | I | 38 | Very low | 38.1 | Very low | 64 Ų | 64 | 108.8 Ų | 108.8 | 33% | 0.328 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -64 | -47 | -180 | -69.3 | 173.8 | 0 | 0 | 0 | 111 | F120 H121 T126 F127 Q128 | F120-I124 HydrophobicContact CD1-CD1 3.59Å; F120-I124 HydrophobicContact CE1-CD1 3.4Å; F120-I124 HydrophobicContact CE1-CG1 4.48Å; F120-I124 HydrophobicContact CZ-CD1 4.2Å; F120-I124 WeakPolarHBondContact O-CG1 3.46Å; F120-I124 PolarHBondContact O-N 3.34Å; H121-I124 PolarHBondContact O-N 3.27Å; I124-T126 PolarHBondContact O-N 3.11Å; I124-F127 PolarHBondContact O-N 3.4Å; I124-Q128 HydrophobicContact CG2-CG 4.29Å; I124-Q128 WeakPolarHBondContact O-CB 3.39Å; I124-Q128 WeakPolarHBondContact O-CG 3.33Å; I124-Q128 PolarHBondContact O-N 2.9Å |
| 125 | S | 40.1 | Very low | 37.3 | Very low | 47 Ų | 47 | 106.1 Ų | 106.1 | 33% | 0.329 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | -178.4 | 62.1 | 0 | 0 | 0 | 0 | 112.5 | H121 D122 N129 | H121-S125 WeakPolarHBondContact O-CB 3.41Å; H121-S125 PolarHBondContact O-N 3.39Å; H121-S125 PolarHBondContact O-OG 3.27Å; H121-S125 VanDerWaalsContact O-OG 3.06Å; D122-S125 PolarHBondContact O-OG 3.05Å; D122-S125 VanDerWaalsContact O-OG 3.07Å; S125-N129 WeakPolarHBondContact O-CB 3.26Å; S125-N129 PolarHBondContact O-N 3.41Å; S125-N129 PolarHBondContact O-ND2 2.8Å |
| 126 | T | 39.7 | Very low | 36.5 | Very low | 80 Ų | 80 | 109.4 Ų | 109.4 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -67 | -40 | 177.2 | -52.8 | 0 | 0 | 0 | 0 | 111.8 | D122 I124 K130 | D122-T126 WeakPolarHBondContact O-CB 3.45Å; D122-T126 PolarHBondContact O-N 3.46Å; D122-T126 VanDerWaalsContact O-N 3.11Å; D122-T126 PolarHBondContact O-OG1 3.37Å; I124-T126 PolarHBondContact O-N 3.11Å; T126-K130 PolarHBondContact O-N 3.47Å; T126-K130 VanDerWaalsContact O-N 3.13Å |
| 127 | F | 34.9 | Very low | 36 | Very low | 123 Ų | 123 | 112.4 Ų | 112.4 | 54% | 0.539 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.9 | -42.7 | 179.1 | -159.4 | -94.1 | 0 | 0 | 0 | 111.8 | I123 I124 K130 K131 | I123-F127 WeakPolarHBondContact O-CB 3.28Å; I123-F127 PolarHBondContact O-N 2.85Å; I123-F127 VanDerWaalsContact O-N 3.09Å; I124-F127 PolarHBondContact O-N 3.4Å; F127-K130 PolarHBondContact O-N 3.05Å; F127-K131 HydrophobicContact CD1-CG 4.17Å; F127-K131 HydrophobicContact CE1-CG 3.97Å; F127-K131 HydrophobicContact CZ-CG 4.42Å; F127-K131 WeakPolarHBondContact O-CB 3.06Å; F127-K131 WeakPolarHBondContact O-CG 3.19Å; F127-K131 PolarHBondContact O-N 3.08Å |
| 128 | Q | 32.9 | Very low | 35.3 | Very low | 126 Ų | 126 | 109 Ų | 109 | 59% | 0.589 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.3 | -48.2 | 174.6 | -74.5 | 178.3 | -10.6 | 0 | 0 | 111.2 | I124 K130 K131 H132 | I124-Q128 HydrophobicContact CG2-CG 4.29Å; I124-Q128 WeakPolarHBondContact O-CB 3.39Å; I124-Q128 WeakPolarHBondContact O-CG 3.33Å; I124-Q128 PolarHBondContact O-N 2.9Å; Q128-K130 PolarHBondContact O-N 3.48Å; Q128-K131 PolarHBondContact O-N 3.11Å; Q128-H132 WeakPolarHBondContact O-CB 3.4Å; Q128-H132 PolarHBondContact O-N 2.76Å |
| 129 | N | 40 | Very low | 34.2 | Very low | 113 Ų | 113 | 112.8 Ų | 112.8 | 60% | 0.604 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.7 | -37.7 | 179.4 | -84.5 | -29.4 | 0 | 0 | 0 | 113.7 | S125 K133 | S125-N129 WeakPolarHBondContact O-CB 3.26Å; S125-N129 PolarHBondContact O-N 3.41Å; S125-N129 PolarHBondContact O-ND2 2.8Å; N129-K133 PolarHBondContact O-N 3.07Å |
| 130 | K | 38.3 | Very low | 33.4 | Very low | 151 Ų | 151 | 113.4 Ų | 113.4 | 66% | 0.657 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.5 | -39.7 | 176.2 | -90.3 | -175.9 | 174.6 | 179 | 0 | 112.7 | T126 F127 Q128 L134 | T126-K130 PolarHBondContact O-N 3.47Å; T126-K130 VanDerWaalsContact O-N 3.13Å; F127-K130 PolarHBondContact O-N 3.05Å; Q128-K130 PolarHBondContact O-N 3.48Å; K130-L134 PolarHBondContact O-N 3.49Å |
| 131 | K | 36.4 | Very low | 32.7 | Very low | 120 Ų | 120 | 114.6 Ų | 114.6 | 52% | 0.522 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -81.9 | -31.2 | -177 | -71.6 | -82.2 | -175.2 | 170.9 | 0 | 112.6 | F127 Q128 K133 L134 A135 | F127-K131 HydrophobicContact CD1-CG 4.17Å; F127-K131 HydrophobicContact CE1-CG 3.97Å; F127-K131 HydrophobicContact CZ-CG 4.42Å; F127-K131 WeakPolarHBondContact O-CB 3.06Å; F127-K131 WeakPolarHBondContact O-CG 3.19Å; F127-K131 PolarHBondContact O-N 3.08Å; Q128-K131 PolarHBondContact O-N 3.11Å; K131-K133 VanDerWaalsContact C-N 3.35Å; K131-L134 PolarHBondContact O-N 3.47Å; K131-A135 PolarHBondContact O-N 3.17Å |
| 132 | H | 27.9 | Very low | 31.8 | Very low | 126 Ų | 126 | 116.1 Ų | 116.1 | 58% | 0.583 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -64.4 | -39.1 | 171.9 | -150.7 | -85.3 | 0 | 0 | 0 | 111.3 | Q128 L134 A135 I136 | Q128-H132 WeakPolarHBondContact O-CB 3.4Å; Q128-H132 PolarHBondContact O-N 2.76Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 3.28Å; H132-A135 PolarHBondContact O-N 3.3Å; H132-I136 VanDerWaalsContact ND1-CD1 3.31Å; H132-I136 WeakPolarHBondContact ND1-CD1 3.37Å; H132-I136 WeakPolarHBondContact O-CD1 3.22Å; H132-I136 VanDerWaalsContact O-CG1 3.23Å; H132-I136 WeakPolarHBondContact O-CG1 3.38Å; H132-I136 PolarHBondContact O-N 3.06Å; H132-I136 VanDerWaalsContact O-N 3.13Å |
| 133 | K | 32 | Very low | 30.9 | Very low | 162 Ų | 162 | 118 Ų | 118 | 70% | 0.704 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -64 | -31.2 | 171.9 | -79.3 | -176 | 176.6 | -176 | 0 | 113.7 | N129 K131 V137 | N129-K133 PolarHBondContact O-N 3.07Å; K131-K133 VanDerWaalsContact C-N 3.35Å; K133-V137 WeakPolarHBondContact O-CG2 3.34Å |
| 134 | L | 28 | Very low | 30.2 | Very low | 122 Ų | 122 | 119.7 Ų | 119.7 | 64% | 0.639 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -78.5 | -31.5 | 175.8 | -81.1 | 158.7 | 0 | 0 | 0 | 112.8 | K130 K131 H132 | K130-L134 PolarHBondContact O-N 3.49Å; K131-L134 PolarHBondContact O-N 3.47Å; H132-L134 VanDerWaalsContact C-N 3.31Å; H132-L134 PolarHBondContact O-N 3.28Å |
| 135 | A | 24.3 | Very low | 29.6 | Very low | 61 Ų | 61 | 122.5 Ų | 122.5 | 50% | 0.504 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.7 | -26.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | K131 H132 V137 | K131-A135 PolarHBondContact O-N 3.17Å; H132-A135 PolarHBondContact O-N 3.3Å; A135-V137 VanDerWaalsContact C-N 3.3Å; A135-V137 PolarHBondContact O-N 3.35Å |
| 136 | I | 24.9 | Very low | 28.9 | Very low | 122 Ų | 122 | 126.3 Ų | 126.3 | 63% | 0.626 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -20.7 | 179.3 | -71 | 165.5 | 0 | 0 | 0 | 112.9 | H132 | H132-I136 VanDerWaalsContact ND1-CD1 3.31Å; H132-I136 WeakPolarHBondContact ND1-CD1 3.37Å; H132-I136 WeakPolarHBondContact O-CD1 3.22Å; H132-I136 VanDerWaalsContact O-CG1 3.23Å; H132-I136 WeakPolarHBondContact O-CG1 3.38Å; H132-I136 PolarHBondContact O-N 3.06Å; H132-I136 VanDerWaalsContact O-N 3.13Å |
| 137 | V | 27.2 | Very low | 28.2 | Very low | 131 Ų | 131 | 134.3 Ų | 134.3 | 79% | 0.794 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.9 | -12.4 | -175.6 | -176 | 0 | 0 | 0 | 0 | 112.8 | K133 A135 | K133-V137 WeakPolarHBondContact O-CG2 3.34Å; A135-V137 VanDerWaalsContact C-N 3.3Å; A135-V137 PolarHBondContact O-N 3.35Å |
| 138 | S | 24 | Very low | 27.8 | Very low | 57 Ų | 57 | 137 Ų | 137 | 40% | 0.399 | 69% | 0.688 | S | S | . | * | trans | -119.9 | 118.4 | -177.9 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | T140 | S138-T140 PolarHBondContact O-N 3.39Å; S138-T140 PolarHBondContact OG-N 2.84Å; S138-T140 PolarHBondContact OG-O 3.2Å | ||
| 139 | K | 24.2 | Very low | 27.6 | Very low | 223 Ų | 223 | 136.1 Ų | 136.1 | 97% | 0.97 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -72.9 | -3.2 | 173.8 | -74.2 | -175.4 | 176.6 | -179.2 | 0 | 113.4 | ||
| 140 | T | 23.7 | Very low | 27 | Very low | 95 Ų | 95 | 138.9 Ų | 138.9 | 58% | 0.583 | 69% | 0.694 | S | S | * | * | trans | -122.1 | 107.9 | 178.8 | 29.3 | 0 | 0 | 0 | 0 | 109.2 | S138 E142 | S138-T140 PolarHBondContact O-N 3.39Å; S138-T140 PolarHBondContact OG-N 2.84Å; S138-T140 PolarHBondContact OG-O 3.2Å; T140-E142 VanDerWaalsContact C-N 3.35Å; T140-E142 PolarHBondContact O-N 3.19Å; T140-E142 VanDerWaalsContact O-N 3.14Å | ||
| 141 | I | 24.5 | Very low | 26.6 | Very low | 158 Ų | 158 | 139.4 Ų | 139.4 | 81% | 0.81 | 70% | 0.699 | S | S | * | * | trans | -83 | 86.4 | 172.4 | -57.5 | 176 | 0 | 0 | 0 | 107.1 | ||||
| 142 | E | 23.8 | Very low | 26.4 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 74% | 0.738 | 71% | 0.714 | S | S | * | * | trans | -78.6 | 130.7 | 170.6 | -71.1 | -174.9 | 168.3 | 0 | 0 | 110.4 | T140 L144 | T140-E142 VanDerWaalsContact C-N 3.35Å; T140-E142 PolarHBondContact O-N 3.19Å; T140-E142 VanDerWaalsContact O-N 3.14Å; E142-L144 PolarHBondContact O-N 3.21Å; E142-L144 VanDerWaalsContact O-N 3.12Å | ||
| 143 | P | 24.9 | Very low | 26.4 | Very low | 129 Ų | 129 | 139 Ų | 139 | 84% | 0.838 | 70% | 0.704 | S | S | * | * | trans | -69.2 | 109 | 176.2 | 26.2 | -30.9 | 0 | 0 | 0 | 110.4 | ||||
| 144 | L | 24.7 | Very low | 26.3 | Very low | 145 Ų | 145 | 137.3 Ų | 137.3 | 76% | 0.759 | 71% | 0.709 | S | S | * | * | trans | -87 | 110 | 179 | -159.8 | 86.9 | 0 | 0 | 0 | 110.6 | E142 I146 | E142-L144 PolarHBondContact O-N 3.21Å; E142-L144 VanDerWaalsContact O-N 3.12Å; L144-I146 HydrophobicContact CD2-CD1 3.63Å; L144-I146 HydrophobicContact CD2-CG1 3.79Å; L144-I146 HydrophobicContact CG-CG1 4.18Å | ||
| 145 | C | 24.9 | Very low | 26.4 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -90.5 | 113.8 | 169.6 | -93 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 146 | I | 25.1 | Very low | 26.5 | Very low | 126 Ų | 126 | 139 Ų | 139 | 65% | 0.646 | 73% | 0.733 | S | S | * | * | trans | -108.4 | 118.4 | 173.9 | -55.5 | 177 | 0 | 0 | 0 | 109.3 | L144 | L144-I146 HydrophobicContact CD2-CD1 3.63Å; L144-I146 HydrophobicContact CD2-CG1 3.79Å; L144-I146 HydrophobicContact CG-CG1 4.18Å | ||
| 147 | R | 25.8 | Very low | 26.6 | Very low | 249 Ų | 249 | 138 Ų | 138 | 94% | 0.94 | 73% | 0.729 | S | S | * | * | trans | -86.5 | 133.1 | 166.7 | -97.5 | 176.7 | 159.5 | 177.8 | -5.7 | 109.2 | ||||
| 148 | Y | 26.9 | Very low | 26.5 | Very low | 179 Ų | 179 | 136.4 Ų | 136.4 | 70% | 0.702 | 72% | 0.723 | S | S | * | * | trans | -134.9 | 138.6 | 177.4 | -161.8 | -95.8 | 0 | 0 | 0 | 112.5 | A153 | Y148-A153 HydrophobicContact CE1-CB 3.9Å; Y148-A153 WeakPolarHBondContact OH-CB 3.43Å | ||
| 149 | N | 27.2 | Very low | 26.5 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 58% | 0.578 | 74% | 0.736 | S | S | * | * | trans | -87.7 | 124.9 | -178 | -176.6 | -8.5 | 0 | 0 | 0 | 110.6 | E151 | N149-E151 VanDerWaalsContact C-N 3.28Å; N149-E151 PolarHBondContact O-N 3.23Å; N149-E151 PolarHBondContact OD1-N 3.06Å | ||
| 150 | K | 28.6 | Very low | 26.6 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 74% | 0.739 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | -6 | -170.6 | -150.3 | 175.5 | -175.6 | 176.7 | 0 | 114.3 | K152 | K150-K152 PolarHBondContact O-N 2.83Š|
| 151 | E | 30.4 | Very low | 26.7 | Very low | 163 Ų | 163 | 142.3 Ų | 142.3 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -11.5 | -172.9 | -71.6 | -172.5 | 156.9 | 0 | 0 | 115.6 | N149 | N149-E151 VanDerWaalsContact C-N 3.28Å; N149-E151 PolarHBondContact O-N 3.23Å; N149-E151 PolarHBondContact OD1-N 3.06Å |
| 152 | K | 30.4 | Very low | 26.8 | Very low | 192 Ų | 192 | 139 Ų | 139 | 84% | 0.835 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -135.8 | 5.6 | -167.7 | -69.1 | -170.1 | 179.2 | -179.9 | 0 | 118.9 | K150 | K150-K152 PolarHBondContact O-N 2.83Š|
| 153 | A | 28.7 | Very low | 26.9 | Very low | 46 Ų | 46 | 140.5 Ų | 140.5 | 38% | 0.38 | 72% | 0.724 | S | S | . | * | S | Bend | trans | -145.5 | 146 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y148 | Y148-A153 HydrophobicContact CE1-CB 3.9Å; Y148-A153 WeakPolarHBondContact OH-CB 3.43Å |
| 154 | P | 30.3 | Very low | 27.1 | Very low | 125 Ų | 125 | 141.7 Ų | 141.7 | 81% | 0.812 | 72% | 0.723 | S | S | * | * | trans | -63.3 | 141 | 177.9 | 26.3 | -33 | 0 | 0 | 0 | 111.5 | A156 | P154-A156 PolarHBondContact O-N 3.38Å; P154-A156 VanDerWaalsContact O-N 3.13Å | ||
| 155 | S | 29 | Very low | 27.1 | Very low | 129 Ų | 129 | 137.3 Ų | 137.3 | 90% | 0.902 | 71% | 0.705 | S | S | * | * | trans | -41.3 | 107 | -172.9 | -32.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 156 | A | 26.4 | Very low | 27.1 | Very low | 90 Ų | 90 | 143.2 Ų | 143.2 | 74% | 0.744 | 71% | 0.709 | S | S | * | * | trans | -112.4 | 113.1 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | P154 | P154-A156 PolarHBondContact O-N 3.38Å; P154-A156 VanDerWaalsContact O-N 3.13Å | ||
| 157 | L | 27.2 | Very low | 27.1 | Very low | 102 Ų | 102 | 142.3 Ų | 142.3 | 53% | 0.534 | 71% | 0.711 | S | S | . | * | trans | -63 | 132.3 | 174 | -81.3 | 126.3 | 0 | 0 | 0 | 110.8 | L172 | L157-L172 HydrophobicContact CD2-CD2 4.31Š| ||
| 158 | S | 25.5 | Very low | 27 | Very low | 97 Ų | 97 | 141.8 Ų | 141.8 | 68% | 0.678 | 71% | 0.71 | S | S | * | * | trans | -108.8 | 134.6 | 174.8 | -59.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 159 | Y | 25.1 | Very low | 26.8 | Very low | 171 Ų | 171 | 140.4 Ų | 140.4 | 67% | 0.671 | 71% | 0.707 | S | S | * | * | trans | -104.6 | 135.8 | -178.5 | -62.5 | -91.7 | 0 | 0 | 0 | 110.6 | ||||
| 160 | Y | 25.9 | Very low | 26.5 | Very low | 152 Ų | 152 | 139.1 Ų | 139.1 | 60% | 0.596 | 71% | 0.712 | S | S | * | * | trans | -106.8 | 132.7 | 171.7 | -65.2 | -85.7 | 0 | 0 | 0 | 110.1 | ||||
| 161 | Q | 25.3 | Very low | 26.3 | Very low | 176 Ų | 176 | 137.9 Ų | 137.9 | 82% | 0.822 | 71% | 0.706 | S | S | * | * | trans | -111.4 | 124.5 | 171.3 | -178.9 | 179.1 | 10.9 | 0 | 0 | 108.5 | ||||
| 162 | C | 26 | Very low | 26.1 | Very low | 89 Ų | 89 | 136.4 Ų | 136.4 | 60% | 0.601 | 70% | 0.703 | S | S | * | * | trans | -79 | 131.7 | 167.7 | -67.1 | 0 | 0 | 0 | 0 | 109.5 | D164 S165 | C162-D164 PolarHBondContact O-N 3.08Å; C162-S165 PolarHBondContact O-N 2.75Å; C162-S165 PolarHBondContact O-OG 2.87Å | ||
| 163 | K | 27.5 | Very low | 25.8 | Very low | 189 Ų | 189 | 130.9 Ų | 130.9 | 82% | 0.822 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.7 | 136.8 | 163.9 | -157.1 | 175.5 | 179.3 | -178.1 | 0 | 108.3 | ||
| 164 | D | 27.7 | Very low | 25.7 | Very low | 154 Ų | 154 | 137 Ų | 137 | 82% | 0.824 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.6 | 14.1 | 177.7 | -46.4 | -43.6 | 0 | 0 | 0 | 118.2 | C162 R166 | C162-D164 PolarHBondContact O-N 3.08Å; D164-R166 PolarHBondContact O-N 3.27Å |
| 165 | S | 24.3 | Very low | 25.6 | Very low | 53 Ų | 53 | 135.8 Ų | 135.8 | 37% | 0.371 | 70% | 0.702 | S | S | . | * | trans | -89.9 | 93.1 | 172 | 59.9 | 0 | 0 | 0 | 0 | 113.1 | C162 | C162-S165 PolarHBondContact O-N 2.75Å; C162-S165 PolarHBondContact O-OG 2.87Å | ||
| 166 | R | 25 | Very low | 25.5 | Very low | 247 Ų | 247 | 134.3 Ų | 134.3 | 93% | 0.932 | 68% | 0.684 | S | S | * | * | trans | -111.8 | 145.1 | 167.4 | -70.3 | -171.3 | 179.5 | -167.3 | 1.7 | 111.2 | D164 | D164-R166 PolarHBondContact O-N 3.27Š| ||
| 167 | P | 26.5 | Very low | 25.4 | Very low | 107 Ų | 107 | 137 Ų | 137 | 70% | 0.695 | 69% | 0.691 | S | S | * | * | S | Bend | cis | -102.5 | 136 | -31.7 | 38.3 | -25.4 | 0 | 0 | 0 | 109.6 | ||
| 168 | W | 22.1 | Very low | 25.4 | Very low | 238 Ų | 238 | 140.3 Ų | 140.3 | 90% | 0.902 | 70% | 0.704 | S | S | * | * | S | Bend | trans | 73.1 | 69.4 | 170 | -45.3 | 92.3 | 0 | 0 | 0 | 119.1 | ||
| 169 | K | 23.5 | Very low | 25.4 | Very low | 150 Ų | 150 | 141.2 Ų | 141.2 | 65% | 0.652 | 70% | 0.699 | S | S | * | * | trans | -148 | 82.1 | 149.8 | -65.7 | -169.7 | -177.5 | 167.3 | 0 | 111.5 | F171 | K169-F171 HydrophobicContact CB-CD2 4.36Å; K169-F171 HydrophobicContact CB-CE2 3.67Å; K169-F171 HydrophobicContact CB-CZ 3.78Å; K169-F171 HydrophobicContact CD-CZ 3.95Å; K169-F171 HydrophobicContact CG-CZ 4.39Å; K169-F171 WeakPolarHBondContact O-CD2 2.87Å | ||
| 170 | A | 22.2 | Very low | 25.4 | Very low | 81 Ų | 81 | 137.4 Ų | 137.4 | 67% | 0.669 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 127.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||
| 171 | F | 24 | Very low | 25.5 | Very low | 144 Ų | 144 | 132.8 Ų | 132.8 | 63% | 0.632 | 68% | 0.684 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 127.6 | 175.6 | -65.2 | -87.2 | 0 | 0 | 0 | 108.6 | K169 C173 | K169-F171 HydrophobicContact CB-CD2 4.36Å; K169-F171 HydrophobicContact CB-CE2 3.67Å; K169-F171 HydrophobicContact CB-CZ 3.78Å; K169-F171 HydrophobicContact CD-CZ 3.95Å; K169-F171 HydrophobicContact CG-CZ 4.39Å; K169-F171 WeakPolarHBondContact O-CD2 2.87Å; F171-C173 PolarHBondContact O-N 3.48Å |
| 172 | L | 24.7 | Very low | 25.4 | Very low | 133 Ų | 133 | 132.3 Ų | 132.3 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -71.9 | 116.8 | 163.2 | -95.1 | 101.6 | 0 | 0 | 0 | 108 | L157 | L157-L172 HydrophobicContact CD2-CD2 4.31Š|
| 173 | C | 25.9 | Very low | 25.4 | Very low | 75 Ų | 75 | 133.8 Ų | 133.8 | 51% | 0.507 | 68% | 0.682 | S | S | . | * | trans | -108.1 | 104.9 | 159.9 | -84.9 | 0 | 0 | 0 | 0 | 107.7 | F171 C175 | F171-C173 PolarHBondContact O-N 3.48Å; C173-C175 PolarHBondContact O-N 2.88Å | ||
| 174 | E | 26 | Very low | 25.3 | Very low | 176 Ų | 176 | 133.3 Ų | 133.3 | 82% | 0.822 | 68% | 0.683 | S | S | * | * | trans | -79.8 | 95.7 | 163.7 | -165 | 174.2 | -159.2 | 0 | 0 | 107 | ||||
| 175 | C | 27.7 | Very low | 25.3 | Very low | 99 Ų | 99 | 132 Ų | 132 | 67% | 0.669 | 67% | 0.67 | S | S | * | * | trans | -91 | 101.6 | 172.6 | -67.1 | 0 | 0 | 0 | 0 | 108.1 | C173 V177 | C173-C175 PolarHBondContact O-N 2.88Å; C175-V177 PolarHBondContact O-N 2.76Å | ||
| 176 | D | 26.4 | Very low | 25.4 | Very low | 97 Ų | 97 | 134.7 Ų | 134.7 | 52% | 0.519 | 69% | 0.686 | S | S | . | * | trans | -66 | 126.6 | 166.8 | -113.2 | -21.4 | 0 | 0 | 0 | 108.9 | E178 I179 | D176-E178 PolarHBondContact O-N 3.09Å; D176-I179 HydrophobicContact CB-CG1 4.34Å; D176-I179 PolarHBondContact O-N 3.04Å | ||
| 177 | V | 25.3 | Very low | 25.4 | Very low | 147 Ų | 147 | 127.3 Ų | 127.3 | 89% | 0.891 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | 0 | -176.1 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | C175 | C175-V177 PolarHBondContact O-N 2.76Š|
| 178 | E | 26.2 | Very low | 25.3 | Very low | 172 Ų | 172 | 128.1 Ų | 128.1 | 80% | 0.804 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 14.5 | 174.5 | -75.4 | -173 | 158.2 | 0 | 0 | 114.3 | D176 T180 | D176-E178 PolarHBondContact O-N 3.09Å; E178-T180 PolarHBondContact O-N 3.23Å; E178-T180 PolarHBondContact O-OG1 2.74Å |
| 179 | I | 26.9 | Very low | 25.5 | Very low | 115 Ų | 115 | 122.2 Ų | 122.2 | 59% | 0.59 | 65% | 0.652 | S | S | * | * | trans | -76.5 | 70.4 | 167 | -50.5 | 173.6 | 0 | 0 | 0 | 109.7 | D176 | D176-I179 HydrophobicContact CB-CG1 4.34Å; D176-I179 PolarHBondContact O-N 3.04Å | ||
| 180 | T | 24.9 | Very low | 25.6 | Very low | 92 Ų | 92 | 124.5 Ų | 124.5 | 56% | 0.564 | 66% | 0.657 | S | S | * | * | -58.3 | 122.8 | 124.9 | 34.2 | 0 | 0 | 0 | 0 | 105.8 | E178 E182 | E178-T180 PolarHBondContact O-N 3.23Å; E178-T180 PolarHBondContact O-OG1 2.74Å; T180-E182 PolarHBondContact O-N 2.81Å | |||
| 181 | C | 27.3 | Very low | 25.7 | Very low | 55 Ų | 55 | 128 Ų | 128 | 37% | 0.372 | 66% | 0.659 | S | S | . | * | trans | -63.3 | 60.6 | 176.6 | -69.7 | 0 | 0 | 0 | 0 | 112.5 | I183 R242 | C181-I183 PolarHBondContact O-N 3.08Å; C181-I183 VanDerWaalsContact O-N 3.14Å; C181-R242 PolarHBondContact O-NH2 3.39Å | ||
| 182 | E | 23 | Very low | 25.7 | Very low | 165 Ų | 165 | 127.4 Ų | 127.4 | 77% | 0.771 | 66% | 0.662 | S | S | * | * | trans | -78.1 | 76.4 | 162.7 | -73.5 | -170.5 | 165.6 | 0 | 0 | 107.9 | T180 | T180-E182 PolarHBondContact O-N 2.81Š| ||
| 183 | I | 27.4 | Very low | 26.1 | Very low | 121 Ų | 121 | 123.9 Ų | 123.9 | 62% | 0.621 | 66% | 0.658 | S | S | * | * | trans | -121.7 | 67.9 | 159.8 | -56.1 | -175 | 0 | 0 | 0 | 106.5 | C181 K185 | C181-I183 PolarHBondContact O-N 3.08Å; C181-I183 VanDerWaalsContact O-N 3.14Å; I183-K185 HydrophobicContact CG2-CB 3.48Å; I183-K185 VanDerWaalsContact CG2-CB 3.48Å; I183-K185 HydrophobicContact CG2-CD 4.04Å; I183-K185 HydrophobicContact CG2-CG 3.67Å; I183-K185 PolarHBondContact O-N 2.84Å; I183-K185 VanDerWaalsContact O-N 3.09Å | ||
| 184 | E | 25.1 | Very low | 25.9 | Very low | 178 Ų | 178 | 128.6 Ų | 128.6 | 83% | 0.832 | 68% | 0.678 | S | S | * | * | trans | -66.2 | 69.3 | 135.5 | -71.7 | -175.4 | 167.3 | 0 | 0 | 107.6 | ||||
| 185 | K | 27.1 | Very low | 25.7 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 55% | 0.552 | 67% | 0.668 | S | S | * | * | trans | -105 | 124.5 | 160.9 | -72.4 | -175.4 | -178.4 | 179.5 | 0 | 107.1 | I183 C187 | I183-K185 HydrophobicContact CG2-CB 3.48Å; I183-K185 VanDerWaalsContact CG2-CB 3.48Å; I183-K185 HydrophobicContact CG2-CD 4.04Å; I183-K185 HydrophobicContact CG2-CG 3.67Å; I183-K185 PolarHBondContact O-N 2.84Å; I183-K185 VanDerWaalsContact O-N 3.09Å; K185-C187 PolarHBondContact O-N 3.02Å; K185-C187 VanDerWaalsContact O-N 3.09Å | ||
| 186 | P | 26 | Very low | 25.4 | Very low | 110 Ų | 110 | 125.7 Ų | 125.7 | 71% | 0.714 | 67% | 0.667 | S | S | * | * | trans | -57.2 | 119 | 178.7 | 22.2 | -31.3 | 0 | 0 | 0 | 108.9 | T188 | P186-T188 PolarHBondContact O-N 3.19Š| ||
| 187 | C | 24.6 | Very low | 25.4 | Very low | 92 Ų | 92 | 128.9 Ų | 128.9 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | trans | -62.9 | 92.5 | 163.1 | -72.3 | 0 | 0 | 0 | 0 | 107.3 | K185 Y189 | K185-C187 PolarHBondContact O-N 3.02Å; K185-C187 VanDerWaalsContact O-N 3.09Å; C187-Y189 HydrophobicContact CB-CD2 4.41Å; C187-Y189 HydrophobicContact CB-CE2 3.92Å; C187-Y189 WeakPolarHBondContact O-CD2 3.46Å; C187-Y189 PolarHBondContact O-N 3.3Å; C187-Y189 VanDerWaalsContact O-N 3.07Å | ||
| 188 | T | 26.1 | Very low | 25.4 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 76% | 0.755 | 67% | 0.666 | S | S | * | * | trans | -75.1 | 93.2 | 168.8 | 46.8 | 0 | 0 | 0 | 0 | 107.9 | P186 R190 | P186-T188 PolarHBondContact O-N 3.19Å; T188-R190 PolarHBondContact O-N 3.03Å | ||
| 189 | Y | 25 | Very low | 25.3 | Very low | 114 Ų | 114 | 121.9 Ų | 121.9 | 45% | 0.447 | 66% | 0.657 | S | S | . | * | trans | -63.7 | 126.2 | 166.8 | -63.9 | -85.6 | 0 | 0 | 0 | 108.7 | C187 C221 | C187-Y189 HydrophobicContact CB-CD2 4.41Å; C187-Y189 HydrophobicContact CB-CE2 3.92Å; C187-Y189 WeakPolarHBondContact O-CD2 3.46Å; C187-Y189 PolarHBondContact O-N 3.3Å; C187-Y189 VanDerWaalsContact O-N 3.07Å; Y189-C221 PolarHBondContact OH-O 2.78Å | ||
| 190 | R | 26.1 | Very low | 25.4 | Very low | 198 Ų | 198 | 121.5 Ų | 121.5 | 75% | 0.747 | 67% | 0.671 | S | S | * | * | trans | -89.9 | 108.6 | 165 | -80.5 | -174.9 | 170 | -174.7 | -3.7 | 107.3 | T188 L192 | T188-R190 PolarHBondContact O-N 3.03Å; R190-L192 PolarHBondContact O-N 2.84Å | ||
| 191 | H | 23.9 | Very low | 25.4 | Very low | 155 Ų | 155 | 127 Ų | 127 | 72% | 0.718 | 68% | 0.683 | S | S | * | * | trans | -67.7 | 114.5 | 164.3 | -81 | -87.1 | 0 | 0 | 0 | 108.7 | ||||
| 192 | L | 23.8 | Very low | 25.5 | Very low | 131 Ų | 131 | 133.8 Ų | 133.8 | 69% | 0.686 | 71% | 0.706 | S | S | * | * | B | Isolated β-bridge | trans | -110.7 | 71.3 | 163.5 | -81.8 | 163.2 | 0 | 0 | 0 | 107 | R190 D194 | R190-L192 PolarHBondContact O-N 2.84Å; L192-D194 PolarHBondContact O-N 3.21Å |
| 193 | G | 33.9 | Very low | 25.7 | Very low | 59 Ų | 59 | 132.5 Ų | 132.5 | 61% | 0.608 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 63.5 | -131.3 | -174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | I195 | G193-I195 VanDerWaalsContact C-N 3.32Å; G193-I195 PolarHBondContact O-N 2.74Å |
| 194 | D | 21.8 | Very low | 25.8 | Very low | 174 Ų | 174 | 129.7 Ų | 129.7 | 93% | 0.93 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.2 | 4.4 | -175.3 | -62 | -36.7 | 0 | 0 | 0 | 114.6 | L192 | L192-D194 PolarHBondContact O-N 3.21Š|
| 195 | I | 21.8 | Very low | 25.9 | Very low | 120 Ų | 120 | 126.2 Ų | 126.2 | 62% | 0.615 | 68% | 0.68 | S | S | * | * | B | Isolated β-bridge | trans | -114.1 | 112.7 | -175.7 | -56.5 | 176.4 | 0 | 0 | 0 | 109.8 | G193 | G193-I195 VanDerWaalsContact C-N 3.32Å; G193-I195 PolarHBondContact O-N 2.74Å |
| 196 | C | 21.8 | Very low | 25.9 | Very low | 95 Ų | 95 | 122.5 Ų | 122.5 | 64% | 0.642 | 67% | 0.672 | S | S | * | * | trans | -88.6 | 101.3 | 168.1 | -76.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 197 | E | 25.2 | Very low | 26 | Very low | 163 Ų | 163 | 119 Ų | 119 | 76% | 0.762 | 65% | 0.653 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 122 | 163.8 | -83.2 | -172.2 | 157.5 | 0 | 0 | 109.6 | A199 | E197-A199 PolarHBondContact O-N 2.7Š|
| 198 | P | 25.1 | Very low | 26.2 | Very low | 99 Ų | 99 | 117.8 Ų | 117.8 | 64% | 0.643 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 135.2 | 168.5 | 25.9 | -30.9 | 0 | 0 | 0 | 108.3 | A200 | P198-A200 PolarHBondContact O-N 3.23Š|
| 199 | A | 25.7 | Very low | 26.3 | Very low | 74 Ų | 74 | 115 Ų | 115 | 61% | 0.612 | 65% | 0.645 | S | S | * | * | P | Polyproline II helix | trans | -52.3 | 133.6 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | E197 Y201 | E197-A199 PolarHBondContact O-N 2.7Å; A199-Y201 HydrophobicContact CB-CD2 3.99Å; A199-Y201 HydrophobicContact CB-CE2 4.25Å; A199-Y201 PolarHBondContact O-N 2.97Å |
| 200 | A | 27.6 | Very low | 26.7 | Very low | 107 Ų | 107 | 114 Ų | 114 | 88% | 0.884 | 65% | 0.65 | S | S | * | * | S | Bend | trans | -66.3 | 55.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | P198 | P198-A200 PolarHBondContact O-N 3.23Š|
| 201 | Y | 26 | Very low | 27 | Very low | 208 Ų | 208 | 107.2 Ų | 107.2 | 82% | 0.816 | 63% | 0.633 | S | S | * | * | trans | -89.2 | 107.9 | 150.5 | -65.7 | -77.7 | 0 | 0 | 0 | 104.6 | A199 W203 | A199-Y201 HydrophobicContact CB-CD2 3.99Å; A199-Y201 HydrophobicContact CB-CE2 4.25Å; A199-Y201 PolarHBondContact O-N 2.97Å; Y201-W203 PolarHBondContact O-N 3.23Å | ||
| 202 | K | 28.7 | Very low | 27.4 | Very low | 196 Ų | 196 | 105.3 Ų | 105.3 | 85% | 0.852 | 63% | 0.634 | S | S | * | * | trans | -52.2 | 101.6 | 155.5 | -72.8 | 179 | 179.2 | 177.3 | 0 | 104.6 | P204 | K202-P204 VanDerWaalsContact C-N 3.3Å; K202-P204 WeakPolarHBondContact O-CD 3.46Å | ||
| 203 | W | 27.3 | Very low | 28.1 | Very low | 138 Ų | 138 | 101 Ų | 101 | 52% | 0.523 | 62% | 0.617 | S | S | . | * | trans | -52.4 | 111.2 | 154.3 | -144.3 | 61.2 | 0 | 0 | 0 | 102.9 | Y201 S205 C216 P220 | Y201-W203 PolarHBondContact O-N 3.23Å; W203-S205 PolarHBondContact O-N 3.14Å; W203-C216 HydrophobicContact CH2-CB 4.2Å; W203-C216 HydrophobicContact CZ2-CB 4.3Å; W203-P220 HydrophobicContact CZ2-CG 3.87Å | ||
| 204 | P | 29.9 | Very low | 28.2 | Very low | 62 Ų | 62 | 100.3 Ų | 100.3 | 40% | 0.403 | 60% | 0.599 | S | S | . | * | trans | -70.3 | 109.4 | 169.5 | 6.2 | 12.9 | 0 | 0 | 0 | 100.6 | K202 A206 A207 | K202-P204 VanDerWaalsContact C-N 3.3Å; K202-P204 WeakPolarHBondContact O-CD 3.46Å; P204-A206 VanDerWaalsContact CA-N 3.31Å; P204-A206 HydrophobicContact CB-CB 3.52Å; P204-A206 PolarHBondContact O-N 3.06Å; P204-A207 HydrophobicContact CB-CB 4.37Å; P204-A207 HydrophobicContact CG-CB 4.1Å; P204-A207 WeakPolarHBondContact O-CB 2.88Å; P204-A207 PolarHBondContact O-N 3.22Å | ||
| 205 | S | 27.2 | Very low | 29.1 | Very low | 106 Ų | 106 | 98.1 Ų | 98.1 | 74% | 0.741 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -44.7 | -19.3 | 140.4 | 38.9 | 0 | 0 | 0 | 0 | 110.6 | W203 | W203-S205 PolarHBondContact O-N 3.14Å |
| 206 | A | 26.9 | Very low | 30 | Very low | 48 Ų | 48 | 95 Ų | 95 | 40% | 0.397 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.7 | -15.7 | 162.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | P204 A208 G209 V210 | P204-A206 VanDerWaalsContact CA-N 3.31Å; P204-A206 HydrophobicContact CB-CB 3.52Å; P204-A206 PolarHBondContact O-N 3.06Å; A206-A208 VanDerWaalsContact C-N 3.35Å; A206-G209 CarbonylContact O-C 3.44Å; A206-G209 WeakPolarHBondContact O-CA 3.31Å; A206-G209 PolarHBondContact O-N 2.04Å; A206-G209 VanDerWaalsContact O-N 3.07Å; A206-V210 HydrophobicContact CB-CG2 4.21Å; A206-V210 WeakPolarHBondContact O-CA 3.47Å; A206-V210 WeakPolarHBondContact O-CB 3.32Å; A206-V210 WeakPolarHBondContact O-CG2 3.06Å; A206-V210 PolarHBondContact O-N 3.15Å |
| 207 | A | 28.3 | Very low | 31.2 | Very low | 38 Ų | 38 | 94.8 Ų | 94.8 | 31% | 0.314 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -72.6 | -32.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | P204 G209 C211 | P204-A207 HydrophobicContact CB-CB 4.37Å; P204-A207 HydrophobicContact CG-CB 4.1Å; P204-A207 WeakPolarHBondContact O-CB 2.88Å; P204-A207 PolarHBondContact O-N 3.22Å; A207-G209 VanDerWaalsContact C-N 3.31Å; A207-C211 WeakPolarHBondContact O-CA 3.39Å; A207-C211 WeakPolarHBondContact O-CB 3.05Å; A207-C211 PolarHBondContact O-N 2.76Å |
| 208 | A | 28.8 | Very low | 32 | Very low | 66 Ų | 66 | 88.3 Ų | 88.3 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -69.6 | -27.6 | 166.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A206 | A206-A208 VanDerWaalsContact C-N 3.35Å |
| 209 | G | 28.4 | Very low | 32.9 | Very low | 64 Ų | 64 | 86.9 Ų | 86.9 | 66% | 0.66 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -86.4 | -21 | 174.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | A206 A207 | A206-G209 CarbonylContact O-C 3.44Å; A206-G209 WeakPolarHBondContact O-CA 3.31Å; A206-G209 PolarHBondContact O-N 2.04Å; A206-G209 VanDerWaalsContact O-N 3.07Å; A207-G209 VanDerWaalsContact C-N 3.31Å |
| 210 | V | 32.8 | Very low | 33.5 | Very low | 92 Ų | 92 | 85.5 Ų | 85.5 | 56% | 0.558 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -106.2 | -19.8 | -173.7 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | A206 | A206-V210 HydrophobicContact CB-CG2 4.21Å; A206-V210 WeakPolarHBondContact O-CA 3.47Å; A206-V210 WeakPolarHBondContact O-CB 3.32Å; A206-V210 WeakPolarHBondContact O-CG2 3.06Å; A206-V210 PolarHBondContact O-N 3.15Å |
| 211 | C | 31.5 | Very low | 33.7 | Very low | 57 Ų | 57 | 83.2 Ų | 83.2 | 39% | 0.385 | 49% | 0.489 | S | S | . | . | trans | -132.3 | 84.5 | 170.7 | -73.8 | 0 | 0 | 0 | 0 | 108.8 | A207 A213 L214 | A207-C211 WeakPolarHBondContact O-CA 3.39Å; A207-C211 WeakPolarHBondContact O-CB 3.05Å; A207-C211 PolarHBondContact O-N 2.76Å; C211-A213 PolarHBondContact O-N 3.3Å; C211-L214 HydrophobicContact CB-CD1 3.95Å; C211-L214 HydrophobicContact CB-CG 4.35Å; C211-L214 PolarHBondContact O-N 3.41Å | ||
| 212 | P | 33.4 | Very low | 34.3 | Very low | 115 Ų | 115 | 78.4 Ų | 78.4 | 75% | 0.747 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -11.6 | 178.6 | 24.3 | -34.1 | 0 | 0 | 0 | 113.3 | ||
| 213 | A | 38.1 | Very low | 34.6 | Very low | 39 Ų | 39 | 69.6 Ų | 69.6 | 32% | 0.322 | 44% | 0.438 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.3 | -4.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | C211 N271 | C211-A213 PolarHBondContact O-N 3.3Å; A213-N271 HydrophobicContact CB-CB 4.13Å; A213-N271 PolarHBondContact O-N 3.47Å |
| 214 | L | 36.1 | Very low | 35.5 | Very low | 45 Ų | 45 | 67 Ų | 67 | 24% | 0.236 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 115.9 | -179.4 | -72.7 | 169.9 | 0 | 0 | 0 | 110.8 | C211 V270 | C211-L214 HydrophobicContact CB-CD1 3.95Å; C211-L214 HydrophobicContact CB-CG 4.35Å; C211-L214 PolarHBondContact O-N 3.41Å; L214-V270 HydrophobicContact CD2-CB 4.32Å; L214-V270 HydrophobicContact CD2-CG1 4.21Å; L214-V270 HydrophobicContact CD2-CG2 3.82Å |
| 215 | Q | 40.2 | Very low | 36.4 | Very low | 129 Ų | 129 | 72 Ų | 72 | 60% | 0.603 | 46% | 0.455 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -115.7 | 122.1 | 172.1 | -65.2 | 178.9 | -7.5 | 0 | 0 | 108.7 | L269 | Q215-L269 HydrophobicContact CB-CB 4.29Å; Q215-L269 PolarHBondContact N-O 2.88Å; Q215-L269 PolarHBondContact O-N 3.07Å |
| 216 | C | 41.4 | Very low | 37.7 | Very low | 53 Ų | 53 | 70.6 Ų | 70.6 | 36% | 0.358 | 43% | 0.433 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 131 | 176.8 | -63.3 | 0 | 0 | 0 | 0 | 108.5 | W203 | W203-C216 HydrophobicContact CH2-CB 4.2Å; W203-C216 HydrophobicContact CZ2-CB 4.3Å |
| 217 | T | 47.5 | Very low | 38.9 | Very low | 92 Ų | 92 | 72.3 Ų | 72.3 | 56% | 0.564 | 44% | 0.439 | S | S | * | . | S | Bend | trans | -94.6 | -5.4 | 178.2 | 51.6 | 0 | 0 | 0 | 0 | 113.6 | T267 | T217-T267 VanDerWaalsContact CG2-OG1 3.29Å; T217-T267 WeakPolarHBondContact CG2-OG1 3.36Å; T217-T267 PolarHBondContact N-O 3.15Å; T217-T267 PolarHBondContact OG1-N 2.63Å; T217-T267 PolarHBondContact OG1-O 3.09Å; T217-T267 PolarHBondContact OG1-OG1 2.75Å |
| 218 | C | 41.1 | Very low | 40 | Very low | 26 Ų | 26 | 72.1 Ų | 72.1 | 18% | 0.176 | 44% | 0.435 | C | S | . | . | S | Bend | trans | -140 | 160.1 | -176.7 | -71.3 | 0 | 0 | 0 | 0 | 114.4 | P220 C266 | C218-P220 VanDerWaalsContact O-CD 3.29Å; C218-P220 WeakPolarHBondContact O-CD 3.46Å; C218-C266 HydrophobicContact CB-CB 3.49Å; C218-C266 VanDerWaalsContact CB-CB 3.49Å; C218-C266 WeakPolarHBondContact CB-SG 3.16Å; C218-C266 WeakPolarHBondContact SG-CA 3.29Å; C218-C266 WeakPolarHBondContact SG-CB 3.23Å; C218-C266 CovalentContact SG-SG 2.02Å; C218-C266 PolarHBondContact SG-SG 3.32Å |
| 219 | N | 43.7 | Very low | 41.1 | Very low | 69 Ų | 69 | 75.7 Ų | 75.7 | 37% | 0.369 | 44% | 0.435 | S | S | . | . | trans | -70.3 | 110.5 | 173.1 | -174.4 | 3 | 0 | 0 | 0 | 111.2 | C221 E222 R244 | N219-C221 PolarHBondContact O-N 2.84Å; N219-C221 VanDerWaalsContact O-N 3.09Å; N219-C221 VanDerWaalsContact OD1-CB 3.23Å; N219-C221 WeakPolarHBondContact OD1-CB 3.38Å; N219-C221 PolarHBondContact OD1-N 2.82Å; N219-C221 VanDerWaalsContact OD1-N 3.15Å; N219-C221 PolarHBondContact OD1-SG 3.28Å; N219-E222 HydrophobicContact CB-CG 4.43Å; N219-E222 PolarHBondContact ND2-OE1 2.65Å; N219-E222 PolarHBondContact O-N 3.04Å; N219-R244 PolarHBondContact O-NH2 3.24Å | ||
| 220 | P | 38.9 | Very low | 42.1 | Very low | 46 Ų | 46 | 74.8 Ų | 74.8 | 30% | 0.299 | 42% | 0.416 | S | S | . | . | G | 310 helix | trans | -65.3 | -15.2 | -179.4 | 24.4 | -29.4 | 0 | 0 | 0 | 113.1 | W203 C218 E222 | W203-P220 HydrophobicContact CZ2-CG 3.87Å; C218-P220 VanDerWaalsContact O-CD 3.29Å; C218-P220 WeakPolarHBondContact O-CD 3.46Å; P220-E222 VanDerWaalsContact C-N 3.26Å; P220-E222 PolarHBondContact O-N 3.45Å |
| 221 | C | 32.3 | Very low | 43.3 | Very low | 59 Ų | 59 | 75.3 Ų | 75.3 | 40% | 0.399 | 41% | 0.413 | S | S | . | . | G | 310 helix | trans | -73.4 | -8 | 179.4 | -59.7 | 0 | 0 | 0 | 0 | 114.6 | Y189 N219 | Y189-C221 PolarHBondContact OH-O 2.78Å; N219-C221 PolarHBondContact O-N 2.84Å; N219-C221 VanDerWaalsContact O-N 3.09Å; N219-C221 VanDerWaalsContact OD1-CB 3.23Å; N219-C221 WeakPolarHBondContact OD1-CB 3.38Å; N219-C221 PolarHBondContact OD1-N 2.82Å; N219-C221 VanDerWaalsContact OD1-N 3.15Å; N219-C221 PolarHBondContact OD1-SG 3.28Å |
| 222 | E | 36.8 | Very low | 44.4 | Very low | 107 Ų | 107 | 76.5 Ų | 76.5 | 50% | 0.5 | 42% | 0.418 | S | S | . | . | G | 310 helix | trans | -100.8 | -19.5 | -170.7 | -80.7 | 167 | -161.4 | 0 | 0 | 116.1 | N219 P220 R248 | N219-E222 HydrophobicContact CB-CG 4.43Å; N219-E222 PolarHBondContact ND2-OE1 2.65Å; N219-E222 PolarHBondContact O-N 3.04Å; P220-E222 VanDerWaalsContact C-N 3.26Å; P220-E222 PolarHBondContact O-N 3.45Å; E222-R248 PolarHBondContact O-NE 3.05Å; E222-R248 PolarHBondContact O-NH2 2.92Å; E222-R248 VanDerWaalsContact O-NH2 3.11Å |
| 223 | A | 35.3 | Very low | 45.2 | Very low | 11 Ų | 11 | 72.5 Ų | 72.5 | 9% | 0.091 | 40% | 0.395 | C | S | . | . | trans | -156.6 | 139.1 | -161.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | R244 | A223-R244 PolarHBondContact O-NH1 3.4Š| ||
| 224 | T | 46.4 | Very low | 45.9 | Very low | 82 Ų | 82 | 75.9 Ų | 75.9 | 50% | 0.503 | 41% | 0.412 | S | S | . | . | trans | 19.3 | 148.9 | 145.7 | 39.6 | 0 | 0 | 0 | 0 | 121.1 | W226 | T224-W226 PolarHBondContact O-N 3.1Š| ||
| 225 | Q | 48.8 | Very low | 46.7 | Very low | 167 Ų | 167 | 75 Ų | 75 | 78% | 0.78 | 41% | 0.409 | S | S | * | . | trans | -47.9 | 136 | 171.1 | -69.1 | 176 | -16.4 | 0 | 0 | 110.6 | T227 | Q225-T227 PolarHBondContact O-N 3.06Š| ||
| 226 | W | 54.8 | Low | 47 | Very low | 77 Ų | 77 | 69.3 Ų | 69.3 | 29% | 0.292 | 39% | 0.385 | S | S | . | . | trans | -56.1 | 128.5 | 173.8 | -64.5 | 97.8 | 0 | 0 | 0 | 109.6 | T224 R242 R244 Q268 | T224-W226 PolarHBondContact O-N 3.1Å; W226-R242 HydrophobicContact CB-CB 4.33Å; W226-R242 HydrophobicContact CD2-CB 3.77Å; W226-R242 HydrophobicContact CE3-CB 3.43Å; W226-R242 VanDerWaalsContact CE3-CB 3.43Å; W226-R242 HydrophobicContact CG-CB 4.17Å; W226-R242 HydrophobicContact CZ3-CB 3.98Å; W226-R244 HydrophobicContact CE3-CB 4.21Å; W226-R244 HydrophobicContact CE3-CG 4.1Å; W226-R244 HydrophobicContact CZ3-CG 4.01Å; W226-Q268 HydrophobicContact CH2-CB 3.59Å; W226-Q268 HydrophobicContact CZ2-CB 4.15Å; W226-Q268 HydrophobicContact CZ3-CB 3.96Å | ||
| 227 | T | 52.6 | Low | 47.4 | Very low | 85 Ų | 85 | 72.1 Ų | 72.1 | 52% | 0.521 | 40% | 0.403 | S | S | . | . | trans | -85.7 | -22.3 | -168.4 | 50.5 | 0 | 0 | 0 | 0 | 113.2 | Q225 L243 | Q225-T227 PolarHBondContact O-N 3.06Å; T227-L243 PolarHBondContact N-O 3.45Å; T227-L243 PolarHBondContact OG1-O 3.05Å | ||
| 228 | S | 50.6 | Low | 47.3 | Very low | 33 Ų | 33 | 67.9 Ų | 67.9 | 23% | 0.231 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.8 | 147.6 | -178.1 | 56.9 | 0 | 0 | 0 | 0 | 112.3 | R242 L243 C254 | S228-R242 WeakPolarHBondContact O-CA 2.96Å; S228-L243 PolarHBondContact O-N 2.88Å; S228-C254 PolarHBondContact OG-O 3.4Å |
| 229 | W | 53.4 | Low | 47.9 | Very low | 141 Ų | 141 | 69.2 Ų | 69.2 | 53% | 0.534 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.7 | 132.8 | 168.5 | -76.4 | 100.4 | 0 | 0 | 0 | 108.9 | S240 Y241 R242 | W229-S240 VanDerWaalsContact CZ3-OG 3.26Å; W229-S240 WeakPolarHBondContact CZ3-OG 3.08Å; W229-Y241 WeakPolarHBondContact CA-O 3.47Å; W229-R242 HydrophobicContact CD2-CG 3.7Å; W229-R242 VanDerWaalsContact CE2-NE 3.28Å; W229-R242 HydrophobicContact CE3-CG 3.39Å; W229-R242 HydrophobicContact CH2-CG 4.31Å; W229-R242 HydrophobicContact CZ2-CG 4.48Å; W229-R242 HydrophobicContact CZ3-CG 3.7Å |
| 230 | V | 49.4 | Very low | 48.5 | Very low | 46 Ų | 46 | 66 Ų | 66 | 28% | 0.279 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.5 | 143.9 | 166 | -158.4 | 0 | 0 | 0 | 0 | 110.7 | S240 Y241 L256 | V230-S240 CarbonylContact O-C 3.56Å; V230-S240 WeakPolarHBondContact O-CA 3.45Å; V230-S240 PolarHBondContact O-OG 2.82Å; V230-Y241 PolarHBondContact N-O 2.86Å; V230-Y241 PolarHBondContact O-N 2.85Å; V230-L256 HydrophobicContact CB-CD1 3.57Å; V230-L256 HydrophobicContact CB-CG 4.09Å; V230-L256 HydrophobicContact CG1-CD1 3.21Å; V230-L256 HydrophobicContact CG1-CG 4.25Å; V230-L256 HydrophobicContact CG2-CD1 3.71Å; V230-L256 HydrophobicContact CG2-CG 3.98Å |
| 231 | Q | 56.3 | Low | 49.2 | Very low | 103 Ų | 103 | 66.2 Ų | 66.2 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.2 | 140.1 | -179.5 | -67.3 | 178 | -15 | 0 | 0 | 109.5 | I239 | Q231-I239 CarbonylContact C-O 3.53Å; Q231-I239 WeakPolarHBondContact CA-O 3.48Å |
| 232 | T | 56 | Low | 50.6 | Low | 81 Ų | 81 | 64.4 Ų | 64.4 | 50% | 0.497 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -80.3 | -14.1 | 177.5 | 59.4 | 0 | 0 | 0 | 0 | 114.1 | I239 Y241 | T232-I239 HydrophobicContact CG2-CB 3.8Å; T232-I239 PolarHBondContact N-O 2.89Å; T232-I239 PolarHBondContact OG1-N 2.71Å; T232-Y241 HydrophobicContact CG2-CE2 3.64Å |
| 233 | A | 50.3 | Low | 51.8 | Low | 31 Ų | 31 | 59.3 Ų | 59.3 | 26% | 0.256 | 32% | 0.321 | S | S | . | . | trans | -149.6 | 163.1 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | A238 L274 | A233-A238 HydrophobicContact CB-CB 3.95Å; A233-L274 WeakPolarHBondContact O-CD1 3.46Å | ||
| 234 | T | 52.8 | Low | 53.1 | Low | 110 Ų | 110 | 59 Ų | 59 | 68% | 0.675 | 32% | 0.318 | S | S | * | . | S | Bend | trans | -105.8 | -6.1 | 179.8 | 61.8 | 0 | 0 | 0 | 0 | 114 | K280 | T234-K280 PolarHBondContact O-NZ 2.84Š|
| 235 | C | 51.8 | Low | 53.8 | Low | 27 Ų | 27 | 55.6 Ų | 55.6 | 18% | 0.182 | 30% | 0.297 | C | S | . | . | S | Bend | trans | -160.8 | 163.7 | 172.2 | 56.8 | 0 | 0 | 0 | 0 | 108.2 | C277 | C235-C277 HydrophobicContact CB-CB 3.94Å; C235-C277 WeakPolarHBondContact CB-SG 3.04Å; C235-C277 VanDerWaalsContact SG-CA 3.56Å; C235-C277 WeakPolarHBondContact SG-CB 3.44Å; C235-C277 CovalentContact SG-SG 2.04Å; C235-C277 PolarHBondContact SG-SG 2.68Å |
| 236 | G | 46.6 | Very low | 54.3 | Low | 10 Ų | 10 | 51.4 Ų | 51.4 | 10% | 0.103 | 28% | 0.278 | C | S | . | . | S | Bend | trans | 73 | -162.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A238 L274 G275 | G236-A238 PolarHBondContact O-N 3.07Å; G236-L274 PolarHBondContact O-N 3.43Å; G236-G275 VanDerWaalsContact CA-O 3.32Å; G236-G275 WeakPolarHBondContact CA-O 2.9Å; G236-G275 PolarHBondContact N-O 3.27Å |
| 237 | P | 49.9 | Very low | 54.5 | Low | 111 Ų | 111 | 53.8 Ų | 53.8 | 72% | 0.721 | 30% | 0.296 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -60.3 | 122.3 | 173 | -20.4 | 33 | 0 | 0 | 0 | 110.8 | ||
| 238 | A | 46.1 | Very low | 54.3 | Low | 4 Ų | 4 | 57.3 Ų | 57.3 | 3% | 0.033 | 30% | 0.3 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | A233 G236 I272 L274 | A233-A238 HydrophobicContact CB-CB 3.95Å; G236-A238 PolarHBondContact O-N 3.07Å; A238-I272 HydrophobicContact CB-CG2 3.99Å; A238-I272 PolarHBondContact N-O 3.02Å; A238-I272 WeakPolarHBondContact O-CG2 3.04Å; A238-I272 PolarHBondContact O-N 2.91Å; A238-L274 HydrophobicContact CB-CD1 3.53Å; A238-L274 HydrophobicContact CB-CG 3.82Å |
| 239 | I | 53.5 | Low | 54.4 | Low | 53 Ų | 53 | 57.4 Ų | 57.4 | 27% | 0.272 | 30% | 0.301 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 124.2 | 168.1 | -55.7 | 179.2 | 0 | 0 | 0 | 105.9 | Q231 T232 Y241 L269 | Q231-I239 CarbonylContact C-O 3.53Å; Q231-I239 WeakPolarHBondContact CA-O 3.48Å; T232-I239 HydrophobicContact CG2-CB 3.8Å; T232-I239 PolarHBondContact N-O 2.89Å; T232-I239 PolarHBondContact OG1-N 2.71Å; I239-Y241 HydrophobicContact CB-CE2 4.26Å; I239-Y241 HydrophobicContact CG2-CD2 4.39Å; I239-Y241 HydrophobicContact CG2-CE1 4.05Å; I239-Y241 HydrophobicContact CG2-CE2 3.82Å; I239-L269 HydrophobicContact CG2-CD1 3.79Å; I239-L269 HydrophobicContact CG2-CD2 3.83Å; I239-L269 HydrophobicContact CG2-CG 3.53Å |
| 240 | S | 55.6 | Low | 54.3 | Low | 3 Ų | 3 | 57.9 Ų | 57.9 | 2% | 0.021 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 125.8 | 172.3 | -160 | 0 | 0 | 0 | 0 | 110.2 | W229 V230 V270 | W229-S240 VanDerWaalsContact CZ3-OG 3.26Å; W229-S240 WeakPolarHBondContact CZ3-OG 3.08Å; V230-S240 CarbonylContact O-C 3.56Å; V230-S240 WeakPolarHBondContact O-CA 3.45Å; V230-S240 PolarHBondContact O-OG 2.82Å; S240-V270 PolarHBondContact N-O 3.14Å; S240-V270 PolarHBondContact O-N 2.95Å |
| 241 | Y | 54.6 | Low | 54.5 | Low | 49 Ų | 49 | 64.5 Ų | 64.5 | 19% | 0.192 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 133.9 | 174.4 | -57.8 | -87.4 | 0 | 0 | 0 | 109 | W229 V230 T232 I239 L256 I259 Q268 L269 | W229-Y241 WeakPolarHBondContact CA-O 3.47Å; V230-Y241 PolarHBondContact N-O 2.86Å; V230-Y241 PolarHBondContact O-N 2.85Å; T232-Y241 HydrophobicContact CG2-CE2 3.64Å; I239-Y241 HydrophobicContact CB-CE2 4.26Å; I239-Y241 HydrophobicContact CG2-CD2 4.39Å; I239-Y241 HydrophobicContact CG2-CE1 4.05Å; I239-Y241 HydrophobicContact CG2-CE2 3.82Å; Y241-L256 HydrophobicContact CD2-CD2 3.87Å; Y241-L256 HydrophobicContact CE2-CD2 4.03Å; Y241-L256 HydrophobicContact CG-CD2 4.29Å; Y241-I259 HydrophobicContact CD1-CD1 3.84Å; Y241-I259 HydrophobicContact CE1-CD1 4.34Å; Y241-I259 HydrophobicContact CG-CD1 4.17Å; Y241-Q268 WeakPolarHBondContact CA-O 3.07Å; Y241-L269 HydrophobicContact CE1-CD1 3.85Å; Y241-L269 HydrophobicContact CE1-CG 4.45Å |
| 242 | R | 60.1 | Low | 54.6 | Low | 21 Ų | 21 | 61.6 Ų | 61.6 | 8% | 0.079 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 137.9 | 158.7 | -59.3 | -175.9 | -177.3 | 173.5 | -1.8 | 109.7 | C181 W226 S228 W229 T267 Q268 | C181-R242 PolarHBondContact O-NH2 3.39Å; W226-R242 HydrophobicContact CB-CB 4.33Å; W226-R242 HydrophobicContact CD2-CB 3.77Å; W226-R242 HydrophobicContact CE3-CB 3.43Å; W226-R242 VanDerWaalsContact CE3-CB 3.43Å; W226-R242 HydrophobicContact CG-CB 4.17Å; W226-R242 HydrophobicContact CZ3-CB 3.98Å; S228-R242 WeakPolarHBondContact O-CA 2.96Å; W229-R242 HydrophobicContact CD2-CG 3.7Å; W229-R242 VanDerWaalsContact CE2-NE 3.28Å; W229-R242 HydrophobicContact CE3-CG 3.39Å; W229-R242 HydrophobicContact CH2-CG 4.31Å; W229-R242 HydrophobicContact CZ2-CG 4.48Å; W229-R242 HydrophobicContact CZ3-CG 3.7Å; R242-T267 WeakPolarHBondContact O-CA 3.47Å; R242-Q268 HydrophobicContact CB-CB 4.26Å; R242-Q268 PolarHBondContact N-O 3.03Å; R242-Q268 PolarHBondContact O-N 2.8Å |
| 243 | L | 62 | Low | 54.9 | Low | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 148.3 | -177.3 | -51.9 | 173.7 | 0 | 0 | 0 | 109.8 | T227 S228 C254 G255 I259 C266 T267 | T227-L243 PolarHBondContact N-O 3.45Å; T227-L243 PolarHBondContact OG1-O 3.05Å; S228-L243 PolarHBondContact O-N 2.88Å; L243-C254 HydrophobicContact CB-CB 3.8Å; L243-C254 WeakPolarHBondContact CD1-O 3.4Å; L243-G255 VanDerWaalsContact CD1-C 3.41Å; L243-I259 HydrophobicContact CD1-CD1 4.35Å; L243-I259 HydrophobicContact CD1-CG1 4.27Å; L243-I259 HydrophobicContact CD2-CD1 3.68Å; L243-I259 HydrophobicContact CD2-CG1 3.58Å; L243-C266 WeakPolarHBondContact CA-O 3.05Å; L243-T267 HydrophobicContact CD2-CG2 3.5Å |
| 244 | R | 63.4 | Low | 55.5 | Low | 5 Ų | 5 | 61.3 Ų | 61.3 | 2% | 0.019 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.8 | 156.5 | 167.1 | 68.3 | 176.9 | -167.6 | -177.2 | 0.8 | 110.4 | N219 A223 W226 C254 C265 C266 | N219-R244 PolarHBondContact O-NH2 3.24Å; A223-R244 PolarHBondContact O-NH1 3.4Å; W226-R244 HydrophobicContact CE3-CB 4.21Å; W226-R244 HydrophobicContact CE3-CG 4.1Å; W226-R244 HydrophobicContact CZ3-CG 4.01Å; R244-C254 PolarHBondContact O-SG 2.93Å; R244-C265 CarbonylContact O-C 3.39Å; R244-C265 WeakPolarHBondContact O-CA 3.36Å; R244-C266 HydrophobicContact CG-CB 3.53Å; R244-C266 PolarHBondContact N-O 3.33Å; R244-C266 PolarHBondContact O-N 2.67Å |
| 245 | P | 61.8 | Low | 56 | Low | 10 Ų | 10 | 57.1 Ų | 57.1 | 7% | 0.065 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.5 | 138.9 | 167.8 | -23.7 | 35.7 | 0 | 0 | 0 | 111.8 | S249 T252 | P245-S249 WeakPolarHBondContact CG-O 3.22Å; P245-T252 HydrophobicContact CB-CG2 4.3Å; P245-T252 WeakPolarHBondContact CG-O 3.37Å |
| 246 | E | 59.4 | Low | 56.3 | Low | 79 Ų | 79 | 59.6 Ų | 59.6 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.7 | -43.6 | 175.6 | -170.9 | 179.6 | -153.1 | 0 | 0 | 111.4 | A264 | E246-A264 WeakPolarHBondContact CB-O 2.88Å; E246-A264 PolarHBondContact N-O 2.78Å |
| 247 | N | 58.4 | Low | 57.2 | Low | 127 Ų | 127 | 66.7 Ų | 66.7 | 68% | 0.679 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.6 | 28.9 | -168.7 | -70.6 | -33.1 | 0 | 0 | 0 | 115.1 | S249 | N247-S249 PolarHBondContact O-N 3.09Š|
| 248 | R | 48.8 | Very low | 57.5 | Low | 158 Ų | 158 | 64.2 Ų | 64.2 | 60% | 0.596 | 34% | 0.336 | S | S | * | . | trans | 54.4 | 14.8 | -175.6 | -55.3 | 178.6 | 178.1 | -177.6 | -1.2 | 114.4 | E222 V250 | E222-R248 PolarHBondContact O-NE 3.05Å; E222-R248 PolarHBondContact O-NH2 2.92Å; E222-R248 VanDerWaalsContact O-NH2 3.11Å; R248-V250 PolarHBondContact O-N 3.31Å; R248-V250 VanDerWaalsContact O-N 3.07Å | ||
| 249 | S | 51.8 | Low | 58 | Low | 36 Ų | 36 | 66.2 Ų | 66.2 | 25% | 0.252 | 35% | 0.346 | S | S | . | . | trans | -66.6 | 111.8 | -179.2 | 173.3 | 0 | 0 | 0 | 0 | 108.7 | P245 N247 E251 T252 | P245-S249 WeakPolarHBondContact CG-O 3.22Å; N247-S249 PolarHBondContact O-N 3.09Å; S249-E251 PolarHBondContact O-N 2.79Å; S249-E251 PolarHBondContact OG-N 2.8Å; S249-T252 WeakPolarHBondContact CB-OG1 3.26Å; S249-T252 PolarHBondContact O-N 2.94Å; S249-T252 PolarHBondContact OG-N 3.41Å; S249-T252 PolarHBondContact OG-OG1 3.09Å | ||
| 250 | V | 52.1 | Low | 58 | Low | 151 Ų | 151 | 69.8 Ų | 69.8 | 92% | 0.915 | 37% | 0.37 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -21.3 | 174 | -173.6 | 0 | 0 | 0 | 0 | 110.5 | R248 | R248-V250 PolarHBondContact O-N 3.31Å; R248-V250 VanDerWaalsContact O-N 3.07Å |
| 251 | E | 54 | Low | 57.9 | Low | 185 Ų | 185 | 79.8 Ų | 79.8 | 86% | 0.864 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86 | -13.6 | -179.4 | -60.4 | -179.5 | 170.8 | 0 | 0 | 113.1 | S249 S253 | S249-E251 PolarHBondContact O-N 2.79Å; S249-E251 PolarHBondContact OG-N 2.8Å; E251-S253 PolarHBondContact O-N 2.86Å |
| 252 | T | 58.8 | Low | 58 | Low | 41 Ų | 41 | 79.4 Ų | 79.4 | 25% | 0.252 | 41% | 0.412 | S | S | . | . | trans | -86.4 | 104.6 | -177.9 | -57.4 | 0 | 0 | 0 | 0 | 110.7 | P245 S249 C254 A264 | P245-T252 HydrophobicContact CB-CG2 4.3Å; P245-T252 WeakPolarHBondContact CG-O 3.37Å; S249-T252 WeakPolarHBondContact CB-OG1 3.26Å; S249-T252 PolarHBondContact O-N 2.94Å; S249-T252 PolarHBondContact OG-N 3.41Å; S249-T252 PolarHBondContact OG-OG1 3.09Å; T252-C254 PolarHBondContact O-N 2.87Å; T252-A264 HydrophobicContact CG2-CB 4.16Å | ||
| 253 | S | 61.8 | Low | 57.9 | Low | 98 Ų | 98 | 83.7 Ų | 83.7 | 69% | 0.685 | 45% | 0.445 | S | S | * | . | trans | -81.5 | 113.4 | 171.1 | -176.1 | 0 | 0 | 0 | 0 | 111 | E251 N258 | E251-S253 PolarHBondContact O-N 2.86Å; S253-N258 PolarHBondContact O-ND2 2.89Å; S253-N258 VanDerWaalsContact O-ND2 3.12Å | ||
| 254 | C | 62.1 | Low | 57.8 | Low | 8 Ų | 8 | 85 Ų | 85 | 5% | 0.054 | 46% | 0.457 | C | S | . | . | trans | -97.2 | 99.6 | 175.7 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | S228 L243 R244 T252 C265 | S228-C254 PolarHBondContact OG-O 3.4Å; L243-C254 HydrophobicContact CB-CB 3.8Å; L243-C254 WeakPolarHBondContact CD1-O 3.4Å; R244-C254 PolarHBondContact O-SG 2.93Å; T252-C254 PolarHBondContact O-N 2.87Å; C254-C265 WeakPolarHBondContact CA-SG 3.41Å; C254-C265 HydrophobicContact CB-CB 3.92Å; C254-C265 WeakPolarHBondContact CB-SG 3.29Å; C254-C265 WeakPolarHBondContact SG-CB 3.36Å; C254-C265 CovalentContact SG-SG 2.05Å; C254-C265 PolarHBondContact SG-SG 3.41Å | ||
| 255 | G | 62.7 | Low | 57.8 | Low | 23 Ų | 23 | 85.4 Ų | 85.4 | 24% | 0.237 | 46% | 0.46 | C | S | . | . | trans | -105.2 | 165 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L243 E257 N258 | L243-G255 VanDerWaalsContact CD1-C 3.41Å; G255-E257 PolarHBondContact O-N 3.34Å; G255-E257 VanDerWaalsContact O-N 3.16Å; G255-N258 PolarHBondContact O-N 3.49Å | ||
| 256 | L | 58.7 | Low | 57.8 | Low | 79 Ų | 79 | 85 Ų | 85 | 41% | 0.414 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -50.2 | -38.1 | 172.9 | -100 | 161.4 | 0 | 0 | 0 | 112.4 | V230 Y241 N258 I259 | V230-L256 HydrophobicContact CB-CD1 3.57Å; V230-L256 HydrophobicContact CB-CG 4.09Å; V230-L256 HydrophobicContact CG1-CD1 3.21Å; V230-L256 HydrophobicContact CG1-CG 4.25Å; V230-L256 HydrophobicContact CG2-CD1 3.71Å; V230-L256 HydrophobicContact CG2-CG 3.98Å; Y241-L256 HydrophobicContact CD2-CD2 3.87Å; Y241-L256 HydrophobicContact CE2-CD2 4.03Å; Y241-L256 HydrophobicContact CG-CD2 4.29Å; L256-N258 PolarHBondContact O-N 3.44Å; L256-I259 HydrophobicContact CD2-CD1 3.72Å; L256-I259 HydrophobicContact CG-CD1 4.28Å; L256-I259 WeakPolarHBondContact O-CG1 3.37Å; L256-I259 PolarHBondContact O-N 3.34Å |
| 257 | E | 65.4 | Low | 57.8 | Low | 159 Ų | 159 | 82.3 Ų | 82.3 | 74% | 0.743 | 45% | 0.446 | S | S | * | . | G | 310 helix | trans | -59.5 | -25 | 179.9 | -40.2 | -175.2 | -132.9 | 0 | 0 | 112.6 | G255 | G255-E257 PolarHBondContact O-N 3.34Å; G255-E257 VanDerWaalsContact O-N 3.16Å |
| 258 | N | 56.7 | Low | 57.8 | Low | 58 Ų | 58 | 77.4 Ų | 77.4 | 31% | 0.31 | 42% | 0.419 | S | S | . | . | G | 310 helix | trans | -102.9 | -6.2 | -173.8 | -65.3 | -19.8 | 0 | 0 | 0 | 113.4 | S253 G255 L256 T260 R261 S262 | S253-N258 PolarHBondContact O-ND2 2.89Å; S253-N258 VanDerWaalsContact O-ND2 3.12Å; G255-N258 PolarHBondContact O-N 3.49Å; L256-N258 PolarHBondContact O-N 3.44Å; N258-T260 VanDerWaalsContact C-N 3.27Å; N258-T260 PolarHBondContact O-N 2.92Å; N258-R261 PolarHBondContact O-N 2.91Å; N258-R261 VanDerWaalsContact O-N 3.15Å; N258-S262 WeakPolarHBondContact O-CB 3.47Å; N258-S262 PolarHBondContact O-N 2.96Å |
| 259 | I | 56.3 | Low | 58.3 | Low | 46 Ų | 46 | 71.5 Ų | 71.5 | 24% | 0.236 | 40% | 0.399 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58 | -38.3 | -176.4 | -68.3 | 179.3 | 0 | 0 | 0 | 112.4 | Y241 L243 L256 T267 | Y241-I259 HydrophobicContact CD1-CD1 3.84Å; Y241-I259 HydrophobicContact CE1-CD1 4.34Å; Y241-I259 HydrophobicContact CG-CD1 4.17Å; L243-I259 HydrophobicContact CD1-CD1 4.35Å; L243-I259 HydrophobicContact CD1-CG1 4.27Å; L243-I259 HydrophobicContact CD2-CD1 3.68Å; L243-I259 HydrophobicContact CD2-CG1 3.58Å; L256-I259 HydrophobicContact CD2-CD1 3.72Å; L256-I259 HydrophobicContact CG-CD1 4.28Å; L256-I259 WeakPolarHBondContact O-CG1 3.37Å; L256-I259 PolarHBondContact O-N 3.34Å; I259-T267 HydrophobicContact CG1-CG2 4.22Å; I259-T267 HydrophobicContact CG2-CG2 4.12Å |
| 260 | T | 54.8 | Low | 58.4 | Low | 129 Ų | 129 | 71.2 Ų | 71.2 | 79% | 0.791 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.6 | -13.9 | -178.7 | 52.6 | 0 | 0 | 0 | 0 | 113.2 | N258 | N258-T260 VanDerWaalsContact C-N 3.27Å; N258-T260 PolarHBondContact O-N 2.92Å |
| 261 | R | 53.4 | Low | 58.2 | Low | 213 Ų | 213 | 68.1 Ų | 68.1 | 80% | 0.804 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.1 | -22.2 | -169.7 | -70.2 | -177.2 | 176.6 | 172.6 | 0.4 | 114.3 | N258 | N258-R261 PolarHBondContact O-N 2.91Å; N258-R261 VanDerWaalsContact O-N 3.15Å |
| 262 | S | 55.2 | Low | 58 | Low | 41 Ų | 41 | 62 Ų | 62 | 29% | 0.287 | 35% | 0.347 | S | S | . | . | trans | -123.3 | 113 | -171.2 | -171.2 | 0 | 0 | 0 | 0 | 110.9 | N258 A264 C265 | N258-S262 WeakPolarHBondContact O-CB 3.47Å; N258-S262 PolarHBondContact O-N 2.96Å; S262-A264 PolarHBondContact O-N 3.07Å; S262-A264 WeakPolarHBondContact OG-CB 3.39Å; S262-A264 PolarHBondContact OG-N 2.79Å; S262-C265 PolarHBondContact O-N 2.9Å | ||
| 263 | S | 58 | Low | 58 | Low | 111 Ų | 111 | 65.5 Ų | 65.5 | 78% | 0.776 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -18 | 168.7 | 58.2 | 0 | 0 | 0 | 0 | 112.2 | C265 | S263-C265 PolarHBondContact O-N 3.28Š|
| 264 | A | 61.2 | Low | 57.4 | Low | 29 Ų | 29 | 63.5 Ų | 63.5 | 24% | 0.24 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | 2.5 | -177.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | E246 T252 S262 | E246-A264 WeakPolarHBondContact CB-O 2.88Å; E246-A264 PolarHBondContact N-O 2.78Å; T252-A264 HydrophobicContact CG2-CB 4.16Å; S262-A264 PolarHBondContact O-N 3.07Å; S262-A264 WeakPolarHBondContact OG-CB 3.39Å; S262-A264 PolarHBondContact OG-N 2.79Å |
| 265 | C | 63.2 | Low | 56.6 | Low | 13 Ų | 13 | 64.7 Ų | 64.7 | 9% | 0.088 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 122.7 | -179.5 | -70.1 | 0 | 0 | 0 | 0 | 111.5 | R244 C254 S262 S263 | R244-C265 CarbonylContact O-C 3.39Å; R244-C265 WeakPolarHBondContact O-CA 3.36Å; C254-C265 WeakPolarHBondContact CA-SG 3.41Å; C254-C265 HydrophobicContact CB-CB 3.92Å; C254-C265 WeakPolarHBondContact CB-SG 3.29Å; C254-C265 WeakPolarHBondContact SG-CB 3.36Å; C254-C265 CovalentContact SG-SG 2.05Å; C254-C265 PolarHBondContact SG-SG 3.41Å; S262-C265 PolarHBondContact O-N 2.9Å; S263-C265 PolarHBondContact O-N 3.28Å |
| 266 | C | 61.8 | Low | 56.1 | Low | 1 Ų | 1 | 66.8 Ų | 66.8 | 1% | 0.007 | 37% | 0.37 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 137.9 | 167.6 | -68.1 | 0 | 0 | 0 | 0 | 111 | C218 L243 R244 | C218-C266 HydrophobicContact CB-CB 3.49Å; C218-C266 VanDerWaalsContact CB-CB 3.49Å; C218-C266 WeakPolarHBondContact CB-SG 3.16Å; C218-C266 WeakPolarHBondContact SG-CA 3.29Å; C218-C266 WeakPolarHBondContact SG-CB 3.23Å; C218-C266 CovalentContact SG-SG 2.02Å; C218-C266 PolarHBondContact SG-SG 3.32Å; L243-C266 WeakPolarHBondContact CA-O 3.05Å; R244-C266 HydrophobicContact CG-CB 3.53Å; R244-C266 PolarHBondContact N-O 3.33Å; R244-C266 PolarHBondContact O-N 2.67Å |
| 267 | T | 58.7 | Low | 55.8 | Low | 22 Ų | 22 | 65.5 Ų | 65.5 | 14% | 0.135 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 136.9 | -177.7 | 62.9 | 0 | 0 | 0 | 0 | 111.3 | T217 R242 L243 I259 | T217-T267 VanDerWaalsContact CG2-OG1 3.29Å; T217-T267 WeakPolarHBondContact CG2-OG1 3.36Å; T217-T267 PolarHBondContact N-O 3.15Å; T217-T267 PolarHBondContact OG1-N 2.63Å; T217-T267 PolarHBondContact OG1-O 3.09Å; T217-T267 PolarHBondContact OG1-OG1 2.75Å; R242-T267 WeakPolarHBondContact O-CA 3.47Å; L243-T267 HydrophobicContact CD2-CG2 3.5Å; I259-T267 HydrophobicContact CG1-CG2 4.22Å; I259-T267 HydrophobicContact CG2-CG2 4.12Å |
| 268 | Q | 59.4 | Low | 55.2 | Low | 25 Ų | 25 | 63 Ų | 63 | 12% | 0.117 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.3 | 127.1 | 167.4 | 177.3 | 177.2 | 40.7 | 0 | 0 | 108.4 | W226 Y241 R242 V270 | W226-Q268 HydrophobicContact CH2-CB 3.59Å; W226-Q268 HydrophobicContact CZ2-CB 4.15Å; W226-Q268 HydrophobicContact CZ3-CB 3.96Å; Y241-Q268 WeakPolarHBondContact CA-O 3.07Å; R242-Q268 HydrophobicContact CB-CB 4.26Å; R242-Q268 PolarHBondContact N-O 3.03Å; R242-Q268 PolarHBondContact O-N 2.8Å; Q268-V270 HydrophobicContact CG-CG2 4.1Å |
| 269 | L | 57.7 | Low | 54.9 | Low | 34 Ų | 34 | 66 Ų | 66 | 18% | 0.178 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.3 | 129 | 176.3 | -167.2 | 147 | 0 | 0 | 0 | 109.3 | Q215 I239 Y241 N271 | Q215-L269 HydrophobicContact CB-CB 4.29Å; Q215-L269 PolarHBondContact N-O 2.88Å; Q215-L269 PolarHBondContact O-N 3.07Å; I239-L269 HydrophobicContact CG2-CD1 3.79Å; I239-L269 HydrophobicContact CG2-CD2 3.83Å; I239-L269 HydrophobicContact CG2-CG 3.53Å; Y241-L269 HydrophobicContact CE1-CD1 3.85Å; Y241-L269 HydrophobicContact CE1-CG 4.45Å; L269-N271 WeakPolarHBondContact CD2-OD1 3.39Å |
| 270 | V | 53.9 | Low | 54.6 | Low | 29 Ų | 29 | 70 Ų | 70 | 18% | 0.176 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 112.8 | 177.9 | -173.1 | 0 | 0 | 0 | 0 | 108.5 | L214 S240 Q268 I272 | L214-V270 HydrophobicContact CD2-CB 4.32Å; L214-V270 HydrophobicContact CD2-CG1 4.21Å; L214-V270 HydrophobicContact CD2-CG2 3.82Å; S240-V270 PolarHBondContact N-O 3.14Å; S240-V270 PolarHBondContact O-N 2.95Å; Q268-V270 HydrophobicContact CG-CG2 4.1Å; V270-I272 PolarHBondContact O-N 3.16Å |
| 271 | N | 49.2 | Very low | 54.3 | Low | 87 Ų | 87 | 69.1 Ų | 69.1 | 47% | 0.465 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 117.8 | 167 | -64.7 | -35.6 | 0 | 0 | 0 | 108.7 | A213 L269 | A213-N271 HydrophobicContact CB-CB 4.13Å; A213-N271 PolarHBondContact O-N 3.47Å; L269-N271 WeakPolarHBondContact CD2-OD1 3.39Å |
| 272 | I | 49.6 | Very low | 54.2 | Low | 57 Ų | 57 | 61.8 Ų | 61.8 | 29% | 0.292 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.3 | 144.4 | -180 | -171.1 | 167.3 | 0 | 0 | 0 | 109.4 | A238 V270 L274 | A238-I272 HydrophobicContact CB-CG2 3.99Å; A238-I272 PolarHBondContact N-O 3.02Å; A238-I272 WeakPolarHBondContact O-CG2 3.04Å; A238-I272 PolarHBondContact O-N 2.91Å; V270-I272 PolarHBondContact O-N 3.16Å; I272-L274 HydrophobicContact CD1-CD2 4.05Å; I272-L274 HydrophobicContact CG1-CD2 4.17Å; I272-L274 HydrophobicContact CG2-CD2 3.92Å; I272-L274 HydrophobicContact CG2-CG 4.27Å |
| 273 | N | 57.5 | Low | 54.2 | Low | 114 Ų | 114 | 68 Ų | 68 | 61% | 0.61 | 37% | 0.372 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 110.6 | 168.9 | -171.1 | -16.3 | 0 | 0 | 0 | 108.1 | G275 | N273-G275 PolarHBondContact O-N 2.05Å; N273-G275 VanDerWaalsContact O-N 3.14Å; N273-G275 PolarHBondContact OD1-N 2.77Å |
| 274 | L | 49.8 | Very low | 54.1 | Low | 55 Ų | 55 | 71.5 Ų | 71.5 | 29% | 0.288 | 37% | 0.368 | S | S | . | . | trans | -79 | 16.1 | -176.7 | -60.8 | 178.3 | 0 | 0 | 0 | 113.2 | A233 G236 A238 I272 | A233-L274 WeakPolarHBondContact O-CD1 3.46Å; G236-L274 PolarHBondContact O-N 3.43Å; A238-L274 HydrophobicContact CB-CD1 3.53Å; A238-L274 HydrophobicContact CB-CG 3.82Å; I272-L274 HydrophobicContact CD1-CD2 4.05Å; I272-L274 HydrophobicContact CG1-CD2 4.17Å; I272-L274 HydrophobicContact CG2-CD2 3.92Å; I272-L274 HydrophobicContact CG2-CG 4.27Å | ||
| 275 | G | 45.8 | Very low | 53.7 | Low | 34 Ų | 34 | 76.1 Ų | 76.1 | 35% | 0.351 | 39% | 0.385 | S | S | . | . | trans | 80.9 | 174.1 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113 | G236 N273 | G236-G275 VanDerWaalsContact CA-O 3.32Å; G236-G275 WeakPolarHBondContact CA-O 2.9Å; G236-G275 PolarHBondContact N-O 3.27Å; N273-G275 PolarHBondContact O-N 2.05Å; N273-G275 VanDerWaalsContact O-N 3.14Å; N273-G275 PolarHBondContact OD1-N 2.77Å | ||
| 276 | S | 51.4 | Low | 53.4 | Low | 67 Ų | 67 | 83 Ų | 83 | 47% | 0.469 | 41% | 0.413 | S | S | . | . | trans | -70.6 | 133.7 | -175.4 | -177.1 | 0 | 0 | 0 | 0 | 112 | N278 E279 | S276-N278 PolarHBondContact O-N 3.17Å; S276-N278 VanDerWaalsContact OG-CB 3.26Å; S276-N278 WeakPolarHBondContact OG-CB 3.29Å; S276-N278 PolarHBondContact OG-N 2.95Å; S276-E279 PolarHBondContact O-N 3.11Å | ||
| 277 | C | 53.7 | Low | 53.2 | Low | 51 Ų | 51 | 93.1 Ų | 93.1 | 35% | 0.345 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.4 | -26.4 | 167.7 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | C235 E279 K280 E281 | C235-C277 HydrophobicContact CB-CB 3.94Å; C235-C277 WeakPolarHBondContact CB-SG 3.04Å; C235-C277 VanDerWaalsContact SG-CA 3.56Å; C235-C277 WeakPolarHBondContact SG-CB 3.44Å; C235-C277 CovalentContact SG-SG 2.04Å; C235-C277 PolarHBondContact SG-SG 2.68Å; C277-E279 PolarHBondContact O-N 3.4Å; C277-K280 PolarHBondContact O-N 2.02Å; C277-E281 PolarHBondContact O-N 3.49Å |
| 278 | N | 53.3 | Low | 53.1 | Low | 108 Ų | 108 | 98.4 Ų | 98.4 | 58% | 0.578 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -64 | -24.1 | 179 | -60.5 | -1.9 | 0 | 0 | 0 | 112.4 | S276 E281 S282 | S276-N278 PolarHBondContact O-N 3.17Å; S276-N278 VanDerWaalsContact OG-CB 3.26Å; S276-N278 WeakPolarHBondContact OG-CB 3.29Å; S276-N278 PolarHBondContact OG-N 2.95Å; N278-E281 PolarHBondContact O-N 3.46Å; N278-S282 WeakPolarHBondContact O-CB 3.5Å; N278-S282 PolarHBondContact O-N 3.32Å |
| 279 | E | 50.2 | Low | 52.6 | Low | 119 Ų | 119 | 99.8 Ų | 99.8 | 56% | 0.556 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -75.4 | -36.8 | 178.7 | -154.5 | -179.8 | 172.8 | 0 | 0 | 111.5 | S276 C277 R283 | S276-E279 PolarHBondContact O-N 3.11Å; C277-E279 PolarHBondContact O-N 3.4Å; E279-R283 WeakPolarHBondContact O-CB 3.48Å; E279-R283 WeakPolarHBondContact O-CG 3.5Å; E279-R283 PolarHBondContact O-N 3.48Å |
| 280 | K | 48.9 | Very low | 52.2 | Low | 130 Ų | 130 | 100.8 Ų | 100.8 | 57% | 0.565 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.2 | -39.7 | 169.3 | -83.6 | -179.8 | 177.2 | 171.6 | 0 | 111 | T234 C277 R284 | T234-K280 PolarHBondContact O-NZ 2.84Å; C277-K280 PolarHBondContact O-N 2.02Å; K280-R284 PolarHBondContact O-N 2.96Å; K280-R284 VanDerWaalsContact O-N 3.11Å |
| 281 | E | 48.7 | Very low | 51.9 | Low | 112 Ų | 112 | 106.4 Ų | 106.4 | 52% | 0.523 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.5 | -42.9 | 177.9 | -126.8 | 160.8 | -161.2 | 0 | 0 | 112.7 | C277 N278 R283 R284 H285 | C277-E281 PolarHBondContact O-N 3.49Å; N278-E281 PolarHBondContact O-N 3.46Å; E281-R283 PolarHBondContact O-N 3.12Å; E281-R284 WeakPolarHBondContact O-CA 3.49Å; E281-R284 VanDerWaalsContact O-CB 3.28Å; E281-R284 WeakPolarHBondContact O-CB 3.36Å; E281-R284 PolarHBondContact O-N 3.15Å; E281-R284 VanDerWaalsContact O-N 3.08Å; E281-H285 PolarHBondContact O-CD2 3.07Å; E281-H285 VanDerWaalsContact O-CD2 3.3Å; E281-H285 PolarHBondContact O-N 3.19Å |
| 282 | S | 52.1 | Low | 51.9 | Low | 59 Ų | 59 | 109 Ų | 109 | 41% | 0.413 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.1 | -37.2 | 176.5 | -170.9 | 0 | 0 | 0 | 0 | 112 | N278 R284 H285 K286 | N278-S282 WeakPolarHBondContact O-CB 3.5Å; N278-S282 PolarHBondContact O-N 3.32Å; S282-R284 VanDerWaalsContact C-N 3.31Å; S282-R284 PolarHBondContact O-N 3.26Å; S282-H285 PolarHBondContact O-N 3.49Å; S282-K286 WeakPolarHBondContact O-CB 3.49Å; S282-K286 WeakPolarHBondContact O-CG 3.15Å; S282-K286 PolarHBondContact O-N 3.38Å |
| 283 | R | 54.2 | Low | 51.7 | Low | 172 Ų | 172 | 112.7 Ų | 112.7 | 65% | 0.649 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -65 | -34.3 | 170.3 | -78.3 | -176.1 | -177.3 | -169 | 3.3 | 112.4 | E279 E281 R287 | E279-R283 WeakPolarHBondContact O-CB 3.48Å; E279-R283 WeakPolarHBondContact O-CG 3.5Å; E279-R283 PolarHBondContact O-N 3.48Å; E281-R283 PolarHBondContact O-N 3.12Å; R283-R287 PolarHBondContact O-N 2.89Å; R283-R287 VanDerWaalsContact O-N 3.11Å |
| 284 | R | 55.2 | Low | 50.8 | Low | 183 Ų | 183 | 112.6 Ų | 112.6 | 69% | 0.691 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.9 | -46 | 174.4 | -139.7 | 178.1 | -172.3 | -173.2 | 1.2 | 110.9 | K280 E281 S282 R287 Q288 | K280-R284 PolarHBondContact O-N 2.96Å; K280-R284 VanDerWaalsContact O-N 3.11Å; E281-R284 WeakPolarHBondContact O-CA 3.49Å; E281-R284 VanDerWaalsContact O-CB 3.28Å; E281-R284 WeakPolarHBondContact O-CB 3.36Å; E281-R284 PolarHBondContact O-N 3.15Å; E281-R284 VanDerWaalsContact O-N 3.08Å; S282-R284 VanDerWaalsContact C-N 3.31Å; S282-R284 PolarHBondContact O-N 3.26Å; R284-R287 PolarHBondContact O-N 3.24Å; R284-Q288 PolarHBondContact O-N 3.25Å |
| 285 | H | 53.7 | Low | 50.3 | Low | 126 Ų | 126 | 114.7 Ų | 114.7 | 58% | 0.583 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -66.4 | -38.6 | 175.7 | -77.7 | -65.3 | 0 | 0 | 0 | 113.4 | E281 S282 R287 Q288 G289 | E281-H285 PolarHBondContact O-CD2 3.07Å; E281-H285 VanDerWaalsContact O-CD2 3.3Å; E281-H285 PolarHBondContact O-N 3.19Å; S282-H285 PolarHBondContact O-N 3.49Å; H285-R287 VanDerWaalsContact C-N 3.35Å; H285-R287 PolarHBondContact O-N 3.37Å; H285-Q288 PolarHBondContact O-N 3.3Å; H285-G289 PolarHBondContact O-N 3.21Å |
| 286 | K | 57.3 | Low | 50.3 | Low | 157 Ų | 157 | 118.1 Ų | 118.1 | 68% | 0.683 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -65.5 | -35.6 | 175.1 | -77.6 | -177.5 | 179.7 | -178 | 0 | 112.8 | S282 G290 | S282-K286 WeakPolarHBondContact O-CB 3.49Å; S282-K286 WeakPolarHBondContact O-CG 3.15Å; S282-K286 PolarHBondContact O-N 3.38Å; K286-G290 PolarHBondContact O-N 2.94Å |
| 287 | R | 56.8 | Low | 49.5 | Very low | 215 Ų | 215 | 118.8 Ų | 118.8 | 81% | 0.811 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -74 | -27.7 | 174.6 | -78.5 | -177.4 | 167.8 | 179.9 | -3.9 | 113.2 | R283 R284 H285 | R283-R287 PolarHBondContact O-N 2.89Å; R283-R287 VanDerWaalsContact O-N 3.11Å; R284-R287 PolarHBondContact O-N 3.24Å; H285-R287 VanDerWaalsContact C-N 3.35Å; H285-R287 PolarHBondContact O-N 3.37Å |
| 288 | Q | 56.7 | Low | 48.7 | Very low | 132 Ų | 132 | 121.8 Ų | 121.8 | 62% | 0.617 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -84.3 | -29 | 174.5 | -75.1 | 178.4 | -18.4 | 0 | 0 | 113.1 | R284 H285 | R284-Q288 PolarHBondContact O-N 3.25Å; H285-Q288 PolarHBondContact O-N 3.3Å |
| 289 | G | 49.8 | Very low | 48.2 | Very low | 54 Ų | 54 | 125.2 Ų | 125.2 | 56% | 0.557 | 70% | 0.699 | S | S | * | * | H | α-helix | trans | -85.4 | -18.4 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | H285 | H285-G289 PolarHBondContact O-N 3.21Å |
| 290 | G | 48.7 | Very low | 47.9 | Very low | 56 Ų | 56 | 126.3 Ų | 126.3 | 58% | 0.577 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.2 | 0.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | K286 | K286-G290 PolarHBondContact O-N 2.94Š|
| 291 | N | 47.1 | Very low | 47.5 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 78% | 0.781 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101 | 7.3 | -176.3 | -105.1 | 13.9 | 0 | 0 | 0 | 114.7 | ||
| 292 | N | 49.4 | Very low | 46.9 | Very low | 143 Ų | 143 | 128.2 Ų | 128.2 | 77% | 0.765 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -115 | 9.9 | -170.8 | -75.5 | -2.5 | 0 | 0 | 0 | 116.5 | ||
| 293 | T | 45 | Very low | 46 | Very low | 134 Ų | 134 | 128.9 Ų | 128.9 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | S | Bend | trans | -136.6 | 15.2 | -173.2 | 30.4 | 0 | 0 | 0 | 0 | 117.7 | ||
| 294 | A | 39.4 | Very low | 45.2 | Very low | 111 Ų | 111 | 129.1 Ų | 129.1 | 92% | 0.917 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -110.4 | 20.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 295 | A | 39.9 | Very low | 44.2 | Very low | 99 Ų | 99 | 127.1 Ų | 127.1 | 82% | 0.818 | 77% | 0.765 | S | S | * | * | S | Bend | trans | -145.7 | 72.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 296 | A | 44.3 | Very low | 43.3 | Very low | 106 Ų | 106 | 125.9 Ų | 125.9 | 88% | 0.876 | 78% | 0.777 | S | S | * | * | trans | -167.8 | 121.1 | 156.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 297 | G | 35.6 | Very low | 42.4 | Very low | 81 Ų | 81 | 123.3 Ų | 123.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 100.3 | 71.5 | 143.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 298 | S | 35.8 | Very low | 41.3 | Very low | 114 Ų | 114 | 119.4 Ų | 119.4 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -71.5 | 122.1 | 150.3 | 149.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 299 | E | 44 | Very low | 40.5 | Very low | 181 Ų | 181 | 118.5 Ų | 118.5 | 85% | 0.846 | 79% | 0.79 | S | S | * | * | trans | -169.6 | 99.5 | 146.1 | -108.7 | 171.4 | -171.1 | 0 | 0 | 113.2 | ||||
| 300 | N | 43 | Very low | 40 | Very low | 142 Ų | 142 | 121.7 Ų | 121.7 | 76% | 0.759 | 80% | 0.802 | S | S | * | * | 56.5 | 132.2 | 125.6 | -89.9 | -23.3 | 0 | 0 | 0 | 125.4 | |||||
| 301 | K | 41.9 | Very low | 39.3 | Very low | 203 Ų | 203 | 128.6 Ų | 128.6 | 88% | 0.883 | 82% | 0.819 | S | S | * | * | trans | 78.9 | 128.9 | 153.5 | -63.9 | 177 | 178.8 | -178.1 | 0 | 116.9 | ||||
| 302 | G | 34.6 | Very low | 39 | Very low | 79 Ų | 79 | 130.7 Ų | 130.7 | 81% | 0.814 | 82% | 0.824 | S | S | * | * | cis | 155.6 | 147.9 | 6.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 303 | G | 33.5 | Very low | 38.2 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 83% | 0.829 | S | S | * | * | trans | 96.4 | 94.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 304 | E | 38.2 | Very low | 37.8 | Very low | 177 Ų | 177 | 133.3 Ų | 133.3 | 83% | 0.827 | 83% | 0.828 | S | S | * | * | 83.5 | 109.7 | 82.9 | -85.1 | -169.6 | 120.3 | 0 | 0 | 116.1 | |||||
| 305 | N | 34.8 | Very low | 37.4 | Very low | 141 Ų | 141 | 135.2 Ų | 135.2 | 75% | 0.754 | 82% | 0.823 | S | S | * | * | trans | 66.7 | 104 | 143.7 | -56.4 | -30.1 | 0 | 0 | 0 | 120.5 | ||||
| 306 | A | 33.9 | Very low | 37.5 | Very low | 100 Ų | 100 | 136.1 Ų | 136.1 | 83% | 0.826 | 82% | 0.82 | S | S | * | * | 162 | 146.3 | 115.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 307 | A | 37.5 | Very low | 37.2 | Very low | 103 Ų | 103 | 137.2 Ų | 137.2 | 85% | 0.851 | 82% | 0.818 | S | S | * | * | trans | 78.3 | 116.1 | 152.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 308 | T | 33.8 | Very low | 37 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 82% | 0.822 | 82% | 0.816 | S | S | * | * | trans | -65.7 | 173.1 | 160.2 | -40.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 309 | P | 40.3 | Very low | 37.2 | Very low | 112 Ų | 112 | 141.4 Ų | 141.4 | 73% | 0.727 | 82% | 0.82 | S | S | * | * | cis | -115.1 | -155.1 | -45.7 | 37 | -16.7 | 0 | 0 | 0 | 110.3 | ||||
| 310 | P | 40.4 | Very low | 36.8 | Very low | 122 Ų | 122 | 138.4 Ų | 138.4 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | -151.2 | 164.2 | 69.4 | 35.3 | -11.5 | 0 | 0 | 0 | 117.6 | |||||
| 311 | Q | 33.1 | Very low | 36.4 | Very low | 201 Ų | 201 | 138.9 Ų | 138.9 | 94% | 0.939 | 82% | 0.818 | S | S | * | * | trans | -72.1 | 141.9 | 160 | -78.9 | 175.2 | -66.9 | 0 | 0 | 110.4 | ||||
| 312 | E | 40.2 | Very low | 36.3 | Very low | 190 Ų | 190 | 138.6 Ų | 138.6 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -115.1 | 134.5 | 170.9 | -146.3 | 171.5 | -156.9 | 0 | 0 | 110.2 | ||||
| 313 | K | 33.7 | Very low | 36.3 | Very low | 200 Ų | 200 | 142.5 Ų | 142.5 | 87% | 0.87 | 82% | 0.822 | S | S | * | * | trans | -142.7 | 109.4 | -171.6 | -167.6 | -163.8 | -157.5 | -168.7 | 0 | 106.8 | ||||
| 314 | T | 35 | Very low | 36.6 | Very low | 131 Ų | 131 | 144.8 Ų | 144.8 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | trans | -159.5 | 111.2 | 169.8 | -13.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 315 | D | 32.5 | Very low | 36.6 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 82% | 0.823 | S | S | * | * | trans | -88.6 | -179.4 | 150.1 | -92 | -35.5 | 0 | 0 | 0 | 108.1 | ||||
| 316 | P | 42.3 | Very low | 36.8 | Very low | 117 Ų | 117 | 141.2 Ų | 141.2 | 76% | 0.76 | 82% | 0.824 | S | S | * | * | cis | -131 | -153.4 | -18.2 | 38.6 | -15.8 | 0 | 0 | 0 | 110.4 | ||||
| 317 | P | 38.1 | Very low | 37.6 | Very low | 129 Ų | 129 | 142.9 Ų | 142.9 | 84% | 0.838 | 83% | 0.826 | S | S | * | * | -145.7 | 173 | 60 | 33.8 | -9.3 | 0 | 0 | 0 | 116.5 | |||||
| 318 | A | 31.3 | Very low | 37.7 | Very low | 94 Ų | 94 | 142.9 Ų | 142.9 | 78% | 0.777 | 83% | 0.826 | S | S | * | * | trans | -100.7 | 152 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 319 | Q | 38.7 | Very low | 38 | Very low | 190 Ų | 190 | 145.4 Ų | 145.4 | 89% | 0.888 | 83% | 0.829 | S | S | * | * | trans | 172.3 | 163.6 | 154.1 | -104.4 | -173.3 | -34.7 | 0 | 0 | 111.5 | ||||
| 320 | P | 36.4 | Very low | 37.9 | Very low | 117 Ų | 117 | 146 Ų | 146 | 76% | 0.76 | 83% | 0.833 | S | S | * | * | cis | -135.3 | -179.1 | -47.6 | 33.6 | -12.2 | 0 | 0 | 0 | 114.6 | ||||
| 321 | D | 35.2 | Very low | 37.7 | Very low | 152 Ų | 152 | 144.7 Ų | 144.7 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | trans | -44.2 | 150.4 | -177.1 | -77.5 | -60.6 | 0 | 0 | 0 | 121.1 | ||||
| 322 | Q | 38.5 | Very low | 38 | Very low | 198 Ų | 198 | 141.2 Ų | 141.2 | 93% | 0.925 | 82% | 0.815 | S | S | * | * | trans | -167.5 | 116.1 | 144.6 | -104.5 | 168.8 | 55.1 | 0 | 0 | 112.2 | ||||
| 323 | N | 34.5 | Very low | 37.9 | Very low | 160 Ų | 160 | 137.8 Ų | 137.8 | 86% | 0.856 | 81% | 0.807 | S | S | * | * | trans | -118 | 151.2 | 168 | -88.2 | -33.3 | 0 | 0 | 0 | 109.8 | ||||
| 324 | P | 39.3 | Very low | 37.9 | Very low | 120 Ų | 120 | 135 Ų | 135 | 78% | 0.779 | 80% | 0.801 | S | S | * | * | trans | -109.1 | 151.2 | 157.9 | 33.5 | -23.9 | 0 | 0 | 0 | 113.9 | ||||
| 325 | P | 39 | Very low | 38 | Very low | 125 Ų | 125 | 137 Ų | 137 | 81% | 0.812 | 80% | 0.802 | S | S | * | * | trans | -91.9 | 174.3 | -176.1 | 38.4 | -35.9 | 0 | 0 | 0 | 115.2 | ||||
| 326 | P | 38.9 | Very low | 37.9 | Very low | 119 Ų | 119 | 134.8 Ų | 134.8 | 77% | 0.773 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 173.6 | -159.1 | 40.6 | -33.5 | 0 | 0 | 0 | 114.8 | ||
| 327 | P | 50.3 | Low | 37.4 | Very low | 134 Ų | 134 | 137.3 Ų | 137.3 | 87% | 0.87 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -98.9 | 154.2 | 168.7 | 32.4 | -22.1 | 0 | 0 | 0 | 114.3 | ||
| 328 | A | 41.1 | Very low | 37.2 | Very low | 103 Ų | 103 | 136.4 Ų | 136.4 | 85% | 0.851 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 165.5 | -162.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||
| 329 | E | 39.2 | Very low | 37.2 | Very low | 188 Ų | 188 | 138.5 Ų | 138.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -67.7 | 175 | 176 | -70.5 | 178.6 | 131.5 | 0 | 0 | 115.1 | ||||
| 330 | P | 37.9 | Very low | 36.9 | Very low | 125 Ų | 125 | 135.1 Ų | 135.1 | 81% | 0.812 | 78% | 0.778 | S | S | * | * | -141.2 | 169 | 110.6 | 36.1 | -20.3 | 0 | 0 | 0 | 117.6 | |||||
| 331 | S | 37.4 | Very low | 36.7 | Very low | 93 Ų | 93 | 136 Ų | 136 | 65% | 0.65 | 78% | 0.777 | S | S | * | * | trans | -57.3 | 165 | -173.2 | 49.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 332 | D | 37.8 | Very low | 36.7 | Very low | 129 Ų | 129 | 134.9 Ų | 134.9 | 69% | 0.69 | 78% | 0.775 | S | S | * | * | 174.6 | 140.6 | 73.4 | -112.3 | -49.6 | 0 | 0 | 0 | 113.2 | |||||
| 333 | T | 38.3 | Very low | 36.5 | Very low | 118 Ų | 118 | 128.7 Ų | 128.7 | 72% | 0.724 | 77% | 0.765 | S | S | * | * | trans | 38 | 155.9 | 140.9 | 32.7 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 334 | D | 33.8 | Very low | 36.3 | Very low | 141 Ų | 141 | 127.7 Ų | 127.7 | 75% | 0.754 | 76% | 0.764 | S | S | * | * | cis | -176.4 | 178.2 | -22.7 | -148.7 | -23.8 | 0 | 0 | 0 | 106.3 | ||||
| 335 | E | 36.8 | Very low | 36.1 | Very low | 174 Ų | 174 | 129.1 Ų | 129.1 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | 97.3 | 84.9 | 161.4 | -54.6 | -163.1 | 129.3 | 0 | 0 | 121.3 | ||||
| 336 | T | 31.8 | Very low | 35.8 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 64% | 0.644 | 76% | 0.764 | S | S | * | * | 50.3 | 129.3 | 102.7 | -46.8 | 0 | 0 | 0 | 0 | 124 | |||||
| 337 | Q | 32.1 | Very low | 35.6 | Very low | 170 Ų | 170 | 126.4 Ų | 126.4 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | trans | 70.5 | 149 | 149.8 | -77.9 | 166.4 | 5.3 | 0 | 0 | 118.6 | ||||
| 338 | T | 33.7 | Very low | 34.7 | Very low | 109 Ų | 109 | 129.8 Ų | 129.8 | 67% | 0.669 | 76% | 0.764 | S | S | * | * | cis | -169 | 131.8 | 13.2 | 4.5 | 0 | 0 | 0 | 0 | 106 | ||||
| 339 | D | 30.7 | Very low | 34.4 | Very low | 139 Ų | 139 | 129.2 Ų | 129.2 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 84.9 | 127.2 | 104.2 | -98.6 | -21.2 | 0 | 0 | 0 | 118.8 | |||||
| 340 | T | 32.1 | Very low | 34.3 | Very low | 118 Ų | 118 | 130 Ų | 130 | 72% | 0.724 | 76% | 0.76 | S | S | * | * | trans | 67.3 | 118.8 | 142.8 | 39.8 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 341 | D | 32 | Very low | 34.1 | Very low | 137 Ų | 137 | 133.6 Ų | 133.6 | 73% | 0.733 | 76% | 0.763 | S | S | * | * | 86.3 | 116.3 | 113.7 | -154.9 | 20.2 | 0 | 0 | 0 | 118.5 | |||||
| 342 | T | 36.8 | Very low | 34.3 | Very low | 128 Ų | 128 | 134.6 Ų | 134.6 | 79% | 0.785 | 77% | 0.769 | S | S | * | * | 163.8 | 139 | 115.4 | 35.4 | 0 | 0 | 0 | 0 | 114 | |||||
| 343 | G | 32.5 | Very low | 34.4 | Very low | 68 Ų | 68 | 138 Ų | 138 | 70% | 0.701 | 78% | 0.778 | S | S | * | * | trans | 74.9 | 107.7 | 145 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 344 | V | 31.2 | Very low | 34.3 | Very low | 139 Ų | 139 | 137.9 Ų | 137.9 | 84% | 0.842 | 78% | 0.78 | S | S | * | * | 41.2 | 107.2 | 72 | -169.9 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 345 | D | 34.5 | Very low | 34.6 | Very low | 150 Ų | 150 | 139.8 Ų | 139.8 | 80% | 0.802 | 78% | 0.781 | S | S | * | * | -175.8 | 152 | 102.4 | -144.6 | -11.3 | 0 | 0 | 0 | 113.7 | |||||
| 346 | S | 32.7 | Very low | 34.7 | Very low | 114 Ų | 114 | 137.3 Ų | 137.3 | 80% | 0.797 | 78% | 0.78 | S | S | * | * | trans | -79.2 | 147.5 | 179 | -55.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 347 | G | 34.2 | Very low | 34.9 | Very low | 72 Ų | 72 | 136.8 Ų | 136.8 | 74% | 0.742 | 78% | 0.778 | S | S | * | * | trans | -168.1 | 88.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 348 | K | 33.4 | Very low | 35.4 | Very low | 206 Ų | 206 | 136.7 Ų | 136.7 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | 32.1 | 113.6 | 138.4 | -72.1 | 170.5 | 176.4 | 167.1 | 0 | 118.5 | ||||
| 349 | A | 33.5 | Very low | 35.4 | Very low | 91 Ų | 91 | 139.3 Ų | 139.3 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | 61.4 | 119.5 | 81.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 350 | K | 38.1 | Very low | 35.4 | Very low | 203 Ų | 203 | 140.4 Ų | 140.4 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | 167.4 | 113.3 | 129.5 | -90.4 | 163.2 | -176.9 | -175.6 | 0 | 110.3 | |||||
| 351 | K | 33.6 | Very low | 35.6 | Very low | 202 Ų | 202 | 141.6 Ų | 141.6 | 88% | 0.878 | 78% | 0.778 | S | S | * | * | 66 | 119.6 | 84.2 | -105 | -175.9 | -179.9 | 177.3 | 0 | 115 | |||||
| 352 | S | 41.5 | Very low | 35.6 | Very low | 113 Ų | 113 | 143.9 Ų | 143.9 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -170.1 | 101.3 | 138.3 | -76 | 0 | 0 | 0 | 0 | 108 | ||||
| 353 | K | 39.1 | Very low | 35.3 | Very low | 200 Ų | 200 | 141.4 Ų | 141.4 | 87% | 0.87 | 78% | 0.784 | S | S | * | * | 82.9 | 154.3 | 92.4 | -93.1 | -170.7 | 176.1 | -178.6 | 0 | 113 | |||||
| 354 | P | 35.9 | Very low | 35.4 | Very low | 117 Ų | 117 | 143.1 Ų | 143.1 | 76% | 0.76 | 79% | 0.792 | S | S | * | * | cis | -138.8 | 172.3 | -36.4 | 35.7 | -16.1 | 0 | 0 | 0 | 114.1 | ||||
| 355 | K | 39.6 | Very low | 35.3 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 80% | 0.796 | S | S | * | * | trans | -75 | 160.2 | 169.9 | -160.5 | -179.7 | -176.3 | 176.7 | 0 | 111.5 | ||||
| 356 | P | 39 | Very low | 35.2 | Very low | 122 Ų | 122 | 143 Ų | 143 | 79% | 0.792 | 79% | 0.794 | S | S | * | * | -146.5 | 174.4 | 109.6 | 26.3 | -3.2 | 0 | 0 | 0 | 115.9 | |||||
| 357 | P | 37.5 | Very low | 35.2 | Very low | 94 Ų | 94 | 142.5 Ų | 142.5 | 61% | 0.61 | 79% | 0.791 | S | S | * | * | trans | -116.5 | -161.3 | -156.9 | 41.2 | -25.7 | 0 | 0 | 0 | 115.1 | ||||
| 358 | E | 41.5 | Very low | 35.2 | Very low | 168 Ų | 168 | 145.5 Ų | 145.5 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | 86.4 | 148.1 | 164.4 | -76 | -177.9 | 131.3 | 0 | 0 | 117.5 | ||||
| 359 | K | 33.3 | Very low | 35.1 | Very low | 165 Ų | 165 | 142.9 Ų | 142.9 | 72% | 0.717 | 80% | 0.795 | S | S | * | * | cis | 175.4 | 161 | -25.3 | -131.6 | -175.8 | -173.2 | 179.6 | 0 | 104 | ||||
| 360 | Q | 31.9 | Very low | 35.1 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | trans | 73.1 | 141.7 | 162.9 | -70.7 | 164.7 | -42.4 | 0 | 0 | 115.3 | ||||
| 361 | E | 35 | Very low | 34.9 | Very low | 143 Ų | 143 | 145 Ų | 145 | 67% | 0.668 | 79% | 0.793 | S | S | * | * | cis | -162.3 | 134.5 | 24.6 | -125.4 | 157 | -163.2 | 0 | 0 | 107.2 | ||||
| 362 | E | 32.4 | Very low | 34.9 | Very low | 186 Ų | 186 | 150.7 Ų | 150.7 | 87% | 0.869 | 81% | 0.809 | S | S | * | * | 65.5 | 117.9 | 114.7 | -70.3 | -171.3 | 166 | 0 | 0 | 116.8 | |||||
| 363 | G | 31.9 | Very low | 34.6 | Very low | 76 Ų | 76 | 152.6 Ų | 152.6 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 169.5 | 95.7 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 364 | A | 33.4 | Very low | 34.3 | Very low | 104 Ų | 104 | 150.1 Ų | 150.1 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 77.8 | 83.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 365 | L | 29.1 | Very low | 34.2 | Very low | 178 Ų | 178 | 151.9 Ų | 151.9 | 93% | 0.932 | 81% | 0.81 | S | S | * | * | trans | -52.5 | 135.2 | 140 | -79.2 | 144.6 | 0 | 0 | 0 | 111.9 | ||||
| 366 | S | 32.1 | Very low | 33.9 | Very low | 109 Ų | 109 | 150.3 Ų | 150.3 | 76% | 0.762 | 81% | 0.811 | S | S | * | * | trans | 179.5 | 92.1 | 145.7 | 171.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 367 | S | 32.5 | Very low | 33.6 | Very low | 103 Ų | 103 | 152.1 Ų | 152.1 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | 51.2 | 112.3 | 96 | 168.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 368 | C | 34 | Very low | 33.3 | Very low | 135 Ų | 135 | 155.9 Ų | 155.9 | 91% | 0.912 | 83% | 0.826 | S | S | * | * | trans | -165.8 | 84.3 | 138.4 | -99.4 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 369 | D | 31.3 | Very low | 32.8 | Very low | 151 Ų | 151 | 155.1 Ų | 155.1 | 81% | 0.807 | 83% | 0.829 | S | S | * | * | trans | -108.1 | 108.8 | 157.5 | -144.8 | -17.9 | 0 | 0 | 0 | 105.6 | ||||
| 370 | N | 34.8 | Very low | 32.7 | Very low | 139 Ų | 139 | 154.3 Ų | 154.3 | 74% | 0.743 | 84% | 0.838 | S | S | * | * | trans | 161.5 | 123 | 146 | -89.7 | -56.2 | 0 | 0 | 0 | 113 | ||||
| 371 | K | 33.4 | Very low | 32.8 | Very low | 198 Ų | 198 | 153.8 Ų | 153.8 | 86% | 0.861 | 85% | 0.845 | S | S | * | * | trans | 71.4 | 90.9 | 150.8 | -61.2 | 177 | 179.5 | 178.8 | 0 | 118.1 | ||||
| 372 | R | 33.7 | Very low | 32.6 | Very low | 323 Ų | 323 | 154.7 Ų | 154.7 | 100% | 1.219 | 86% | 0.861 | S | S | * | * | -170.3 | 0 | 99.8 | -135.2 | 176.8 | -172.1 | -170.6 | 2 | 111.5 |
Retrieved 372 of 372 residues in 469.3 ms
(Link to these results)