| 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 | 44.5 | Very low | 75 | Confident | 213 Ų | 213 | 98.1 Ų | 98.1 | 100% | 1.049 | 51% | 0.507 | S | S | * | . | 0 | 59.3 | 0 | -174.4 | 175.3 | 162.8 | 0 | 0 | 110.1 | |||||
| 2 | E | 51.3 | Low | 76.3 | Confident | 124 Ų | 124 | 98.9 Ų | 98.9 | 58% | 0.579 | 50% | 0.499 | S | S | * | . | trans | -97.6 | -13.1 | -165.4 | -63.5 | 84.9 | 169.7 | 0 | 0 | 113.8 | G4 T5 E6 | E2-G4 PolarHBondContact O-N 3.35Å; E2-G4 VanDerWaalsContact O-N 3.11Å; E2-T5 WeakPolarHBondContact CA-OG1 3.1Å; E2-T5 PolarHBondContact O-N 3.07Å; E2-T5 PolarHBondContact O-OG1 3.17Å; E2-E6 PolarHBondContact O-N 2.72Å | ||
| 3 | I | 55.3 | Low | 77.4 | Confident | 125 Ų | 125 | 96.1 Ų | 96.1 | 64% | 0.641 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -53.8 | -40 | -177.3 | -58.5 | 88.4 | 0 | 0 | 0 | 110.9 | I7 | I3-I7 HydrophobicContact CG2-CD1 3.74Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 WeakPolarHBondContact O-CB 3.29Å; I3-I7 WeakPolarHBondContact O-CD1 3.33Å; I3-I7 VanDerWaalsContact O-CG1 3.22Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.36Å; I3-I7 VanDerWaalsContact O-N 3.1Å |
| 4 | G | 72.3 | Confident | 78.5 | Confident | 46 Ų | 46 | 92 Ų | 92 | 47% | 0.474 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -67.6 | -35.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | E2 S8 | E2-G4 PolarHBondContact O-N 3.35Å; E2-G4 VanDerWaalsContact O-N 3.11Å; G4-S8 VanDerWaalsContact O-CB 3.28Å; G4-S8 WeakPolarHBondContact O-CB 3.47Å; G4-S8 PolarHBondContact O-N 2.72Å; G4-S8 PolarHBondContact O-OG 3.19Å |
| 5 | T | 79 | Confident | 79.4 | Confident | 72 Ų | 72 | 85.9 Ų | 85.9 | 44% | 0.442 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -73.7 | -37.6 | 178.3 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | E2 S8 K9 | E2-T5 WeakPolarHBondContact CA-OG1 3.1Å; E2-T5 PolarHBondContact O-N 3.07Å; E2-T5 PolarHBondContact O-OG1 3.17Å; T5-S8 PolarHBondContact O-N 3.45Å; T5-K9 VanDerWaalsContact O-CG 3.29Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 3.33Å |
| 6 | E | 83.3 | Confident | 80.1 | Confident | 80 Ų | 80 | 85.2 Ų | 85.2 | 37% | 0.374 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -73.3 | -38.5 | -179.5 | -66.3 | -2.5 | -86.7 | 0 | 0 | 111.3 | E2 K9 K10 | E2-E6 PolarHBondContact O-N 2.72Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K9 VanDerWaalsContact OE1-CD 3.3Å; E6-K9 WeakPolarHBondContact OE1-CD 3.21Å; E6-K9 WeakPolarHBondContact OE1-CE 3.35Å; E6-K9 IonicContact OE1-NZ 2.7Å; E6-K9 PolarHBondContact OE1-NZ 3.07Å; E6-K9 IonicContact OE2-NZ 3.76Å; E6-K9 PolarHBondContact OE2-NZ 3.32Å; E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 VanDerWaalsContact O-N 3.09Å |
| 7 | I | 84.1 | Confident | 80.8 | Confident | 63 Ų | 63 | 84.5 Ų | 84.5 | 32% | 0.323 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 169.7 | -69.5 | 170.2 | 0 | 0 | 0 | 110.4 | I3 K9 K10 I11 | I3-I7 HydrophobicContact CG2-CD1 3.74Å; I3-I7 HydrophobicContact CG2-CG1 4.49Å; I3-I7 WeakPolarHBondContact O-CB 3.29Å; I3-I7 WeakPolarHBondContact O-CD1 3.33Å; I3-I7 VanDerWaalsContact O-CG1 3.22Å; I3-I7 WeakPolarHBondContact O-CG1 3.27Å; I3-I7 PolarHBondContact O-N 3.36Å; I3-I7 VanDerWaalsContact O-N 3.1Å; I7-K9 PolarHBondContact O-N 3.14Å; I7-K10 PolarHBondContact O-N 3.46Å; I7-K10 VanDerWaalsContact O-N 3.17Å; I7-I11 HydrophobicContact CG2-CD1 3.72Å; I7-I11 HydrophobicContact CG2-CG1 4.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.43Å; I7-I11 PolarHBondContact O-N 3.02Å |
| 8 | S | 85.8 | Confident | 81.4 | Confident | 48 Ų | 48 | 82.3 Ų | 82.3 | 34% | 0.336 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.4 | -42.3 | 178.4 | -63.4 | 0 | 0 | 0 | 0 | 112.5 | G4 T5 I11 R12 | G4-S8 VanDerWaalsContact O-CB 3.28Å; G4-S8 WeakPolarHBondContact O-CB 3.47Å; G4-S8 PolarHBondContact O-N 2.72Å; G4-S8 PolarHBondContact O-OG 3.19Å; T5-S8 PolarHBondContact O-N 3.45Å; S8-I11 PolarHBondContact O-N 3.05Å; S8-R12 WeakPolarHBondContact O-CB 3.33Å; S8-R12 PolarHBondContact O-N 2.91Å |
| 9 | K | 89.2 | Confident | 81.8 | Confident | 120 Ų | 120 | 77.9 Ų | 77.9 | 52% | 0.522 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -60.4 | -44.2 | 173.8 | -71.5 | 164.1 | -171.2 | 170.6 | 0 | 111.7 | T5 E6 I7 R12 A13 | T5-K9 VanDerWaalsContact O-CG 3.29Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 3.33Å; E6-K9 PolarHBondContact O-N 3.12Å; E6-K9 VanDerWaalsContact OE1-CD 3.3Å; E6-K9 WeakPolarHBondContact OE1-CD 3.21Å; E6-K9 WeakPolarHBondContact OE1-CE 3.35Å; E6-K9 IonicContact OE1-NZ 2.7Å; E6-K9 PolarHBondContact OE1-NZ 3.07Å; E6-K9 IonicContact OE2-NZ 3.76Å; E6-K9 PolarHBondContact OE2-NZ 3.32Å; I7-K9 PolarHBondContact O-N 3.14Å; K9-R12 WeakPolarHBondContact O-CB 3.38Å; K9-R12 PolarHBondContact O-N 3.49Å; K9-A13 PolarHBondContact O-N 3.34Å |
| 10 | K | 89.8 | Confident | 82.2 | Confident | 165 Ų | 165 | 81.1 Ų | 81.1 | 72% | 0.717 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -64.7 | -41.6 | 176.8 | -74.4 | -177.2 | 176.2 | -175.4 | 0 | 112.5 | E6 I7 A13 A14 | E6-K10 WeakPolarHBondContact O-CG 3.32Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 VanDerWaalsContact O-N 3.09Å; I7-K10 PolarHBondContact O-N 3.46Å; I7-K10 VanDerWaalsContact O-N 3.17Å; K10-A13 PolarHBondContact O-N 3.49Å; K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.13Å |
| 11 | I | 90.7 | Very high | 82.5 | Confident | 23 Ų | 23 | 83.4 Ų | 83.4 | 12% | 0.118 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -59.6 | -47.1 | 174.1 | -70.1 | 167.7 | 0 | 0 | 0 | 110.5 | I7 S8 A13 A14 I15 L70 L73 | I7-I11 HydrophobicContact CG2-CD1 3.72Å; I7-I11 HydrophobicContact CG2-CG1 4.31Å; I7-I11 WeakPolarHBondContact O-CG1 3.43Å; I7-I11 PolarHBondContact O-N 3.02Å; S8-I11 PolarHBondContact O-N 3.05Å; I11-A13 PolarHBondContact O-N 3.33Å; I11-A14 PolarHBondContact O-N 3.46Å; I11-I15 HydrophobicContact CG2-CD1 3.6Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 WeakPolarHBondContact O-CB 3.19Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.48Å; I11-I15 PolarHBondContact O-N 3.38Å; I11-L70 HydrophobicContact CD1-CD2 4.15Å; I11-L73 HydrophobicContact CD1-CD1 3.81Å; I11-L73 HydrophobicContact CG1-CD1 3.62Å |
| 12 | R | 90.1 | Very high | 84.5 | Confident | 108 Ų | 108 | 74.5 Ų | 74.5 | 41% | 0.408 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -58.5 | -44.1 | 177.8 | -158.3 | -177 | -165.3 | 178.8 | 1.7 | 112.6 | S8 K9 I15 K16 P31 D32 M35 | S8-R12 WeakPolarHBondContact O-CB 3.33Å; S8-R12 PolarHBondContact O-N 2.91Å; K9-R12 WeakPolarHBondContact O-CB 3.38Å; K9-R12 PolarHBondContact O-N 3.49Å; R12-I15 PolarHBondContact O-N 3.26Å; R12-K16 PolarHBondContact O-N 2.96Å; R12-P31 HydrophobicContact CG-CB 4.2Å; R12-D32 IonicContact CZ-OD1 3.71Å; R12-D32 IonicContact CZ-OD2 2.78Å; R12-D32 IonicContact NE-OD1 2.75Å; R12-D32 PolarHBondContact NE-OD1 3.08Å; R12-D32 IonicContact NH2-OD1 3.92Å; R12-D32 PolarHBondContact NH2-OD1 3.42Å; R12-D32 IonicContact NH2-OD2 2.73Å; R12-D32 PolarHBondContact NH2-OD2 2.63Å; R12-M35 HydrophobicContact CB-SD 3.6Å; R12-M35 VanDerWaalsContact CB-SD 3.6Å; R12-M35 HydrophobicContact CG-SD 3.53Å; R12-M35 VanDerWaalsContact CG-SD 3.53Å |
| 13 | A | 91.5 | Very high | 85.6 | Confident | 62 Ų | 62 | 71.9 Ų | 71.9 | 51% | 0.512 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | K9 K10 I11 I15 K16 S17 | K9-A13 PolarHBondContact O-N 3.34Å; K10-A13 PolarHBondContact O-N 3.49Å; I11-A13 PolarHBondContact O-N 3.33Å; A13-I15 VanDerWaalsContact C-N 3.33Å; A13-I15 PolarHBondContact O-N 3.45Å; A13-K16 PolarHBondContact O-N 3.33Å; A13-S17 WeakPolarHBondContact O-CB 3.33Å; A13-S17 PolarHBondContact O-N 3.35Å |
| 14 | A | 92.5 | Very high | 86.5 | Confident | 39 Ų | 39 | 67 Ų | 67 | 32% | 0.322 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -61.8 | -40.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | K10 I11 K18 W65 | K10-A14 WeakPolarHBondContact O-CB 3.44Å; K10-A14 PolarHBondContact O-N 3.13Å; I11-A14 PolarHBondContact O-N 3.46Å; A14-K18 WeakPolarHBondContact O-CB 3.3Å; A14-K18 PolarHBondContact O-N 2.83Å; A14-W65 HydrophobicContact CB-CH2 4.31Å; A14-W65 HydrophobicContact CB-CZ2 4.46Å; A14-W65 WeakPolarHBondContact O-CH2 3.33Å |
| 15 | I | 91.8 | Very high | 86.5 | Confident | 1 Ų | 1 | 73.9 Ų | 73.9 | 1% | 0.005 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -60.2 | -52.9 | 173.1 | -73.3 | 162.8 | 0 | 0 | 0 | 110.3 | I11 R12 A13 S17 K18 L19 P31 I34 F62 W65 L66 | I11-I15 HydrophobicContact CG2-CD1 3.6Å; I11-I15 HydrophobicContact CG2-CG1 4.38Å; I11-I15 WeakPolarHBondContact O-CB 3.19Å; I11-I15 VanDerWaalsContact O-CG1 3.28Å; I11-I15 WeakPolarHBondContact O-CG1 3.48Å; I11-I15 PolarHBondContact O-N 3.38Å; R12-I15 PolarHBondContact O-N 3.26Å; A13-I15 VanDerWaalsContact C-N 3.33Å; A13-I15 PolarHBondContact O-N 3.45Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 3.49Å; I15-K18 PolarHBondContact O-N 2.77Å; I15-L19 HydrophobicContact CG2-CD1 3.61Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 2.72Å; I15-P31 HydrophobicContact CG2-CB 4.04Å; I15-I34 HydrophobicContact CD1-CB 4.38Å; I15-I34 HydrophobicContact CD1-CG2 3.7Å; I15-I34 HydrophobicContact CG1-CG2 4.38Å; I15-I34 HydrophobicContact CG2-CB 4.47Å; I15-I34 HydrophobicContact CG2-CD1 3.81Å; I15-I34 HydrophobicContact CG2-CG2 4.43Å; I15-F62 HydrophobicContact CG1-CZ 4.35Å; I15-F62 HydrophobicContact CG2-CE2 4.48Å; I15-F62 HydrophobicContact CG2-CZ 4.04Å; I15-W65 HydrophobicContact CG1-CH2 4.47Å; I15-W65 HydrophobicContact CG1-CZ3 4.33Å; I15-L66 HydrophobicContact CD1-CD1 4.18Å; I15-L66 HydrophobicContact CG1-CD1 4.14Å |
| 16 | K | 90.7 | Very high | 86.1 | Confident | 74 Ų | 74 | 72.5 Ų | 72.5 | 32% | 0.322 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.1 | -43 | -178.8 | -167.9 | 169.6 | -174.8 | 173.6 | 0 | 111.7 | R12 A13 Q20 E28 P31 | R12-K16 PolarHBondContact O-N 2.96Å; A13-K16 PolarHBondContact O-N 3.33Å; K16-Q20 WeakPolarHBondContact O-CB 3.5Å; K16-Q20 PolarHBondContact O-N 2.87Å; K16-Q20 VanDerWaalsContact O-N 3.12Å; K16-E28 IonicContact NZ-OE1 3.13Å; K16-E28 PolarHBondContact NZ-OE1 2.68Å; K16-E28 IonicContact NZ-OE2 3.26Å; K16-E28 PolarHBondContact NZ-OE2 3.01Å; K16-P31 HydrophobicContact CB-CG 4.28Å; K16-P31 HydrophobicContact CG-CG 4.46Å |
| 17 | S | 92.1 | Very high | 85.9 | Confident | 74 Ų | 74 | 72.7 Ų | 72.7 | 52% | 0.517 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 174.9 | 175.7 | 0 | 0 | 0 | 0 | 112.8 | A13 I15 L19 Q20 E21 | A13-S17 WeakPolarHBondContact O-CB 3.33Å; A13-S17 PolarHBondContact O-N 3.35Å; I15-S17 VanDerWaalsContact C-N 3.3Å; I15-S17 PolarHBondContact O-N 3.49Å; S17-L19 PolarHBondContact O-N 3.38Å; S17-Q20 WeakPolarHBondContact O-CB 3.45Å; S17-Q20 PolarHBondContact O-N 2.98Å; S17-E21 PolarHBondContact O-N 3.48Å |
| 18 | K | 90.8 | Very high | 85.6 | Confident | 44 Ų | 44 | 75.9 Ų | 75.9 | 19% | 0.191 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -67.7 | -35.2 | -179.3 | -167 | 74.6 | -155.2 | 172 | 0 | 112.9 | A14 I15 Q20 E21 L22 F62 W65 | A14-K18 WeakPolarHBondContact O-CB 3.3Å; A14-K18 PolarHBondContact O-N 2.83Å; I15-K18 PolarHBondContact O-N 2.77Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; K18-E21 WeakPolarHBondContact CD-OE2 3.45Å; K18-E21 WeakPolarHBondContact CE-OE1 3.48Å; K18-E21 WeakPolarHBondContact CE-OE2 3.49Å; K18-E21 IonicContact NZ-OE1 2.64Å; K18-E21 PolarHBondContact NZ-OE1 2.97Å; K18-E21 IonicContact NZ-OE2 3.47Å; K18-E21 PolarHBondContact NZ-OE2 3.31Å; K18-L22 HydrophobicContact CG-CD1 4.47Å; K18-L22 VanDerWaalsContact O-CG 3.3Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 2.98Å; K18-F62 HydrophobicContact CB-CE2 4.38Å; K18-F62 HydrophobicContact CG-CD2 4.24Å; K18-F62 HydrophobicContact CG-CE2 4.48Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.18Å; K18-W65 HydrophobicContact CB-CH2 3.55Å; K18-W65 HydrophobicContact CB-CZ2 3.71Å; K18-W65 HydrophobicContact CB-CZ3 3.8Å; K18-W65 HydrophobicContact CD-CD2 4.04Å; K18-W65 HydrophobicContact CD-CG 4.31Å; K18-W65 HydrophobicContact CD-CZ2 4.17Å; K18-W65 HydrophobicContact CG-CD2 3.69Å; K18-W65 HydrophobicContact CG-CE3 3.78Å; K18-W65 HydrophobicContact CG-CG 4.31Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.92Å; K18-W65 HydrophobicContact CG-CZ3 3.95Å |
| 19 | L | 90.3 | Very high | 85.7 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -63.5 | -40.3 | 173 | -66.2 | 169.6 | 0 | 0 | 0 | 111.2 | I15 S17 L22 I26 L30 P31 I34 L55 F62 | I15-L19 HydrophobicContact CG2-CD1 3.61Å; I15-L19 HydrophobicContact CG2-CG 4.16Å; I15-L19 WeakPolarHBondContact O-CB 3.37Å; I15-L19 WeakPolarHBondContact O-CG 3.45Å; I15-L19 PolarHBondContact O-N 2.72Å; S17-L19 PolarHBondContact O-N 3.38Å; L19-L22 PolarHBondContact O-N 2.84Å; L19-I26 HydrophobicContact CB-CD1 3.68Å; L19-I26 HydrophobicContact CB-CG1 3.75Å; L19-L30 HydrophobicContact CD1-CD2 4.19Å; L19-L30 HydrophobicContact CD1-CG 4.29Å; L19-P31 HydrophobicContact CD1-CG 4.38Å; L19-I34 HydrophobicContact CD1-CD1 3.92Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L19-L55 HydrophobicContact CD2-CD1 3.7Å; L19-L55 HydrophobicContact CD2-CD2 3.66Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CD2 3.82Å; L19-F62 HydrophobicContact CD2-CE1 4.41Å; L19-F62 HydrophobicContact CD2-CE2 3.59Å; L19-F62 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CZ 3.93Å; L19-F62 HydrophobicContact CG-CD2 4.44Å; L19-F62 HydrophobicContact CG-CE2 3.86Å; L19-F62 HydrophobicContact CG-CZ 4.29Å |
| 20 | Q | 88.6 | Confident | 85.7 | Confident | 141 Ų | 141 | 76.1 Ų | 76.1 | 66% | 0.659 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -68 | -40.2 | 179.9 | -173.5 | 177 | -4.9 | 0 | 0 | 111.9 | K16 S17 K18 L22 G23 I26 | K16-Q20 WeakPolarHBondContact O-CB 3.5Å; K16-Q20 PolarHBondContact O-N 2.87Å; K16-Q20 VanDerWaalsContact O-N 3.12Å; S17-Q20 WeakPolarHBondContact O-CB 3.45Å; S17-Q20 PolarHBondContact O-N 2.98Å; K18-Q20 VanDerWaalsContact C-N 3.31Å; Q20-L22 PolarHBondContact O-N 2.98Å; Q20-G23 PolarHBondContact O-N 3.28Å; Q20-G23 VanDerWaalsContact O-N 3.13Å; Q20-I26 HydrophobicContact CB-CD1 3.91Å |
| 21 | E | 89.5 | Confident | 85.8 | Confident | 130 Ų | 130 | 68.5 Ų | 68.5 | 61% | 0.607 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -59 | -35.5 | 171.8 | -169.2 | -157.9 | 124.6 | 0 | 0 | 112.4 | S17 K18 G23 | S17-E21 PolarHBondContact O-N 3.48Å; K18-E21 WeakPolarHBondContact CD-OE2 3.45Å; K18-E21 WeakPolarHBondContact CE-OE1 3.48Å; K18-E21 WeakPolarHBondContact CE-OE2 3.49Å; K18-E21 IonicContact NZ-OE1 2.64Å; K18-E21 PolarHBondContact NZ-OE1 2.97Å; K18-E21 IonicContact NZ-OE2 3.47Å; K18-E21 PolarHBondContact NZ-OE2 3.31Å; E21-G23 PolarHBondContact O-N 2.97Å |
| 22 | L | 85.4 | Confident | 85.8 | Confident | 25 Ų | 25 | 70.2 Ų | 70.2 | 13% | 0.131 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | 4.9 | 178.5 | -68.9 | 169.1 | 0 | 0 | 0 | 113.8 | K18 L19 Q20 A24 N58 F62 | K18-L22 HydrophobicContact CG-CD1 4.47Å; K18-L22 VanDerWaalsContact O-CG 3.3Å; K18-L22 WeakPolarHBondContact O-CG 3.41Å; K18-L22 PolarHBondContact O-N 2.98Å; L19-L22 PolarHBondContact O-N 2.84Å; Q20-L22 PolarHBondContact O-N 2.98Å; L22-A24 PolarHBondContact O-N 3.33Å; L22-A24 VanDerWaalsContact O-N 3.09Å; L22-N58 HydrophobicContact CB-CB 4.33Å; L22-N58 HydrophobicContact CD1-CB 4.44Å; L22-N58 HydrophobicContact CD2-CB 4.23Å; L22-N58 PolarHBondContact O-ND2 3.3Å; L22-F62 HydrophobicContact CD1-CB 3.87Å; L22-F62 HydrophobicContact CD1-CD2 4.02Å; L22-F62 HydrophobicContact CD1-CG 4.4Å |
| 23 | G | 73.9 | Confident | 85.9 | Confident | 69 Ų | 69 | 69.1 Ų | 69.1 | 71% | 0.711 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 15.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q20 E21 | Q20-G23 PolarHBondContact O-N 3.28Å; Q20-G23 VanDerWaalsContact O-N 3.13Å; E21-G23 PolarHBondContact O-N 2.97Å |
| 24 | A | 75.7 | Confident | 85.9 | Confident | 22 Ų | 22 | 66.1 Ų | 66.1 | 18% | 0.182 | 34% | 0.341 | C | S | . | . | trans | -73.6 | 147 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | L22 I26 L55 | L22-A24 PolarHBondContact O-N 3.33Å; L22-A24 VanDerWaalsContact O-N 3.09Å; A24-I26 WeakPolarHBondContact O-CD1 3.27Å; A24-I26 WeakPolarHBondContact O-CG1 3.38Å; A24-I26 PolarHBondContact O-N 3.28Å; A24-L55 HydrophobicContact CB-CD2 3.58Å | ||
| 25 | Y | 71.6 | Confident | 85.9 | Confident | 192 Ų | 192 | 66.8 Ų | 66.8 | 75% | 0.753 | 34% | 0.338 | S | S | * | . | trans | -72.1 | 115.7 | 169.9 | -175.1 | -88 | 0 | 0 | 0 | 109.1 | D27 | Y25-D27 WeakPolarHBondContact CE1-OD1 3.5Š| ||
| 26 | I | 71.1 | Confident | 85.9 | Confident | 42 Ų | 42 | 70.7 Ų | 70.7 | 22% | 0.215 | 36% | 0.362 | C | S | . | . | trans | -108 | 106.4 | -171.9 | -62 | 142.8 | 0 | 0 | 0 | 109.7 | L19 Q20 A24 | L19-I26 HydrophobicContact CB-CD1 3.68Å; L19-I26 HydrophobicContact CB-CG1 3.75Å; Q20-I26 HydrophobicContact CB-CD1 3.91Å; A24-I26 WeakPolarHBondContact O-CD1 3.27Å; A24-I26 WeakPolarHBondContact O-CG1 3.38Å; A24-I26 PolarHBondContact O-N 3.28Å | ||
| 27 | D | 78.9 | Confident | 85.9 | Confident | 84 Ų | 84 | 67.2 Ų | 67.2 | 45% | 0.449 | 35% | 0.347 | S | S | . | . | trans | -69.8 | 144.3 | 159.5 | -67 | -55.6 | 0 | 0 | 0 | 109.9 | Y25 E29 L30 P31 | Y25-D27 WeakPolarHBondContact CE1-OD1 3.5Å; D27-E29 PolarHBondContact O-N 2.79Å; D27-L30 WeakPolarHBondContact O-CB 3.46Å; D27-L30 PolarHBondContact O-N 2.91Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å | ||
| 28 | E | 78.3 | Confident | 85.8 | Confident | 131 Ų | 131 | 65.4 Ų | 65.4 | 61% | 0.612 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.2 | -19.6 | 176.1 | -68.1 | -66.7 | 155.9 | 0 | 0 | 113.1 | K16 | K16-E28 IonicContact NZ-OE1 3.13Å; K16-E28 PolarHBondContact NZ-OE1 2.68Å; K16-E28 IonicContact NZ-OE2 3.26Å; K16-E28 PolarHBondContact NZ-OE2 3.01Å |
| 29 | E | 87.7 | Confident | 85.7 | Confident | 164 Ų | 164 | 67.2 Ų | 67.2 | 77% | 0.766 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -17 | 175.7 | -59.5 | -168.7 | 156.1 | 0 | 0 | 113.7 | D27 D32 Y33 | D27-E29 PolarHBondContact O-N 2.79Å; E29-D32 PolarHBondContact O-N 3.08Å; E29-Y33 PolarHBondContact O-N 2.61Å |
| 30 | L | 89.5 | Confident | 85.8 | Confident | 9 Ų | 9 | 72.7 Ų | 72.7 | 5% | 0.047 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -69.9 | -44.5 | -173.9 | -179.2 | 61.2 | 0 | 0 | 0 | 113.8 | L19 D27 D32 Y33 I34 L51 F54 L55 | L19-L30 HydrophobicContact CD1-CD2 4.19Å; L19-L30 HydrophobicContact CD1-CG 4.29Å; D27-L30 WeakPolarHBondContact O-CB 3.46Å; D27-L30 PolarHBondContact O-N 2.91Å; L30-D32 PolarHBondContact O-N 2.95Å; L30-Y33 PolarHBondContact O-N 2.96Å; L30-I34 HydrophobicContact CD1-CD1 4.18Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CD1 3.47Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 3.2Å; L30-L51 HydrophobicContact CD1-CD2 3.99Å; L30-F54 HydrophobicContact CD1-CB 4.33Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.12Å; L30-F54 HydrophobicContact CD2-CB 4.44Å; L30-L55 HydrophobicContact CD2-CD2 4.24Å |
| 31 | P | 90.6 | Very high | 85.7 | Confident | 4 Ų | 4 | 74.8 Ų | 74.8 | 3% | 0.026 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59 | -32.7 | 174.1 | -24.2 | 35.5 | 0 | 0 | 0 | 113 | R12 I15 K16 L19 D27 I34 M35 | R12-P31 HydrophobicContact CG-CB 4.2Å; I15-P31 HydrophobicContact CG2-CB 4.04Å; K16-P31 HydrophobicContact CB-CG 4.28Å; K16-P31 HydrophobicContact CG-CG 4.46Å; L19-P31 HydrophobicContact CD1-CG 4.38Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å; P31-I34 PolarHBondContact O-N 3.27Å; P31-M35 PolarHBondContact O-N 3.03Å |
| 32 | D | 90.9 | Very high | 85.7 | Confident | 60 Ų | 60 | 70.7 Ų | 70.7 | 32% | 0.321 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -73.5 | -42.9 | -179.7 | -72.4 | 16.8 | 0 | 0 | 0 | 111.4 | R12 E29 L30 I34 M35 V36 | R12-D32 IonicContact CZ-OD1 3.71Å; R12-D32 IonicContact CZ-OD2 2.78Å; R12-D32 IonicContact NE-OD1 2.75Å; R12-D32 PolarHBondContact NE-OD1 3.08Å; R12-D32 IonicContact NH2-OD1 3.92Å; R12-D32 PolarHBondContact NH2-OD1 3.42Å; R12-D32 IonicContact NH2-OD2 2.73Å; R12-D32 PolarHBondContact NH2-OD2 2.63Å; E29-D32 PolarHBondContact O-N 3.08Å; L30-D32 PolarHBondContact O-N 2.95Å; D32-I34 VanDerWaalsContact C-N 3.28Å; D32-I34 PolarHBondContact O-N 2.82Å; D32-M35 WeakPolarHBondContact O-CB 3.31Å; D32-M35 PolarHBondContact O-N 3.24Å; D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 2.87Å |
| 33 | Y | 92.6 | Very high | 86 | Confident | 84 Ų | 84 | 73.5 Ų | 73.5 | 33% | 0.329 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -58 | -42.2 | 171.3 | -178.3 | -112 | 0 | 0 | 0 | 111.5 | E29 L30 V36 M37 D50 L51 F54 | E29-Y33 PolarHBondContact O-N 2.61Å; L30-Y33 PolarHBondContact O-N 2.96Å; Y33-V36 PolarHBondContact O-N 3.48Å; Y33-M37 HydrophobicContact CD1-CE 3.52Å; Y33-M37 HydrophobicContact CD1-SD 4.17Å; Y33-M37 HydrophobicContact CE1-CE 3.34Å; Y33-M37 HydrophobicContact CE1-CG 4.27Å; Y33-M37 HydrophobicContact CE1-SD 3.47Å; Y33-M37 WeakPolarHBondContact CE1-SD 3.42Å; Y33-M37 HydrophobicContact CG-CE 4.44Å; Y33-M37 WeakPolarHBondContact O-CG 3.28Å; Y33-M37 PolarHBondContact O-N 3.09Å; Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 2.82Å; Y33-L51 HydrophobicContact CD1-CD2 4.48Å; Y33-F54 HydrophobicContact CE1-CE2 4.49Å |
| 34 | I | 91.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -64.4 | -44.4 | 175.9 | -63.8 | 160 | 0 | 0 | 0 | 111.2 | I15 L19 L30 P31 D32 V36 M37 V38 L51 F62 L66 | I15-I34 HydrophobicContact CD1-CB 4.38Å; I15-I34 HydrophobicContact CD1-CG2 3.7Å; I15-I34 HydrophobicContact CG1-CG2 4.38Å; I15-I34 HydrophobicContact CG2-CB 4.47Å; I15-I34 HydrophobicContact CG2-CD1 3.81Å; I15-I34 HydrophobicContact CG2-CG2 4.43Å; L19-I34 HydrophobicContact CD1-CD1 3.92Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L30-I34 HydrophobicContact CD1-CD1 4.18Å; L30-I34 HydrophobicContact CD1-CG1 4.43Å; L30-I34 HydrophobicContact CG-CD1 4.04Å; L30-I34 WeakPolarHBondContact O-CD1 3.47Å; L30-I34 WeakPolarHBondContact O-CG1 3.23Å; L30-I34 PolarHBondContact O-N 3.2Å; P31-I34 PolarHBondContact O-N 3.27Å; D32-I34 VanDerWaalsContact C-N 3.28Å; D32-I34 PolarHBondContact O-N 2.82Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.83Å; I34-M37 HydrophobicContact CG1-CE 4.09Å; I34-M37 PolarHBondContact O-N 2.97Å; I34-M37 VanDerWaalsContact O-N 3.11Å; I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.95Å; I34-L51 HydrophobicContact CD1-CD2 4.21Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.86Å; I34-F62 HydrophobicContact CD1-CE1 3.88Å; I34-F62 HydrophobicContact CD1-CZ 3.84Å; I34-F62 HydrophobicContact CG1-CE1 4.47Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.33Å; I34-L66 HydrophobicContact CG2-CD2 3.6Å |
| 35 | M | 91.4 | Very high | 87.3 | Confident | 53 Ų | 53 | 77.5 Ų | 77.5 | 26% | 0.261 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.9 | -41.3 | 173 | -81.3 | -175.3 | 59.3 | 0 | 0 | 112.6 | R12 P31 D32 M37 V38 A39 | R12-M35 HydrophobicContact CB-SD 3.6Å; R12-M35 VanDerWaalsContact CB-SD 3.6Å; R12-M35 HydrophobicContact CG-SD 3.53Å; R12-M35 VanDerWaalsContact CG-SD 3.53Å; P31-M35 PolarHBondContact O-N 3.03Å; D32-M35 WeakPolarHBondContact O-CB 3.31Å; D32-M35 PolarHBondContact O-N 3.24Å; M35-M37 VanDerWaalsContact C-N 3.35Å; M35-V38 PolarHBondContact O-N 3.37Å; M35-A39 WeakPolarHBondContact O-CB 3.32Å; M35-A39 PolarHBondContact O-N 3.3Å |
| 36 | V | 91.6 | Very high | 88.3 | Confident | 83 Ų | 83 | 72.9 Ų | 72.9 | 50% | 0.503 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -66.2 | -36 | 176.5 | 171.7 | 0 | 0 | 0 | 0 | 111.5 | D32 Y33 I34 A39 N40 | D32-V36 WeakPolarHBondContact O-CG2 3.38Å; D32-V36 PolarHBondContact O-N 2.87Å; Y33-V36 PolarHBondContact O-N 3.48Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.83Å; V36-A39 PolarHBondContact O-N 2.97Å; V36-N40 WeakPolarHBondContact CG1-ND2 3.35Å; V36-N40 WeakPolarHBondContact O-CB 3.49Å; V36-N40 PolarHBondContact O-N 3.23Å; V36-N40 VanDerWaalsContact O-N 3.07Å; V36-N40 PolarHBondContact O-ND2 3.22Å |
| 37 | M | 90.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 71 Ų | 71 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -67.5 | -38.2 | 174.3 | -69.7 | -165.9 | -69.4 | 0 | 0 | 113.1 | Y33 I34 M35 N40 K41 K42 M47 D50 L51 | Y33-M37 HydrophobicContact CD1-CE 3.52Å; Y33-M37 HydrophobicContact CD1-SD 4.17Å; Y33-M37 HydrophobicContact CE1-CE 3.34Å; Y33-M37 HydrophobicContact CE1-CG 4.27Å; Y33-M37 HydrophobicContact CE1-SD 3.47Å; Y33-M37 WeakPolarHBondContact CE1-SD 3.42Å; Y33-M37 HydrophobicContact CG-CE 4.44Å; Y33-M37 WeakPolarHBondContact O-CG 3.28Å; Y33-M37 PolarHBondContact O-N 3.09Å; I34-M37 HydrophobicContact CG1-CE 4.09Å; I34-M37 PolarHBondContact O-N 2.97Å; I34-M37 VanDerWaalsContact O-N 3.11Å; M35-M37 VanDerWaalsContact C-N 3.35Å; M37-N40 CarbonylContact O-C 3.55Å; M37-N40 PolarHBondContact O-N 3.47Å; M37-K41 PolarHBondContact O-N 3.16Å; M37-K42 HydrophobicContact CB-CD 3.93Å; M37-K42 HydrophobicContact CB-CG 4.36Å; M37-K42 HydrophobicContact CG-CD 3.73Å; M37-K42 PolarHBondContact O-N 3.37Å; M37-K42 HydrophobicContact SD-CD 3.82Å; M37-K42 PolarHBondContact SD-NZ 2.66Å; M37-K42 VanDerWaalsContact SD-NZ 3.36Å; M37-M47 HydrophobicContact CB-CG 4.25Å; M37-M47 HydrophobicContact CB-SD 3.84Å; M37-M47 HydrophobicContact SD-CG 4.46Å; M37-D50 HydrophobicContact SD-CB 3.77Å; M37-L51 HydrophobicContact CE-CD1 4.05Å; M37-L51 HydrophobicContact CE-CD2 3.72Å; M37-L51 HydrophobicContact CE-CG 3.74Å |
| 38 | V | 90.9 | Very high | 89.9 | Confident | 36 Ų | 36 | 68.5 Ų | 68.5 | 22% | 0.218 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 173.8 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | I34 M35 N40 K41 M47 L66 L70 | I34-V38 WeakPolarHBondContact O-CG2 3.49Å; I34-V38 PolarHBondContact O-N 2.95Å; M35-V38 PolarHBondContact O-N 3.37Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 2.88Å; V38-K41 PolarHBondContact O-N 3.18Å; V38-M47 HydrophobicContact CG2-CE 4.47Å; V38-M47 HydrophobicContact CG2-SD 4.33Å; V38-L66 HydrophobicContact CG2-CD2 4.15Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.78Å; V38-L70 HydrophobicContact CG1-CD2 3.68Å; V38-L70 HydrophobicContact CG1-CG 4.4Å; V38-L70 HydrophobicContact CG2-CD1 3.66Å |
| 39 | A | 88.6 | Confident | 90.6 | Very high | 81 Ų | 81 | 67.5 Ų | 67.5 | 67% | 0.669 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.9 | -36.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | M35 V36 K41 | M35-A39 WeakPolarHBondContact O-CB 3.32Å; M35-A39 PolarHBondContact O-N 3.3Å; V36-A39 PolarHBondContact O-N 2.97Å; A39-K41 PolarHBondContact O-N 3.27Å |
| 40 | N | 91.6 | Very high | 90.8 | Very high | 115 Ų | 115 | 61.9 Ų | 61.9 | 62% | 0.615 | 33% | 0.325 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | 4.1 | 174 | -72.8 | -62.7 | 0 | 0 | 0 | 114.1 | V36 M37 V38 K42 | V36-N40 WeakPolarHBondContact CG1-ND2 3.35Å; V36-N40 WeakPolarHBondContact O-CB 3.49Å; V36-N40 PolarHBondContact O-N 3.23Å; V36-N40 VanDerWaalsContact O-N 3.07Å; V36-N40 PolarHBondContact O-ND2 3.22Å; M37-N40 CarbonylContact O-C 3.55Å; M37-N40 PolarHBondContact O-N 3.47Å; V38-N40 VanDerWaalsContact C-N 3.27Å; V38-N40 PolarHBondContact O-N 2.88Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.13Å |
| 41 | K | 87.1 | Confident | 90.9 | Very high | 186 Ų | 186 | 61.5 Ų | 61.5 | 81% | 0.809 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.7 | 38.9 | 179.2 | -57 | -176 | 179.1 | -178.3 | 0 | 114.4 | M37 V38 A39 | M37-K41 PolarHBondContact O-N 3.16Å; V38-K41 PolarHBondContact O-N 3.18Å; A39-K41 PolarHBondContact O-N 3.27Å |
| 42 | K | 89.1 | Confident | 91 | Very high | 44 Ų | 44 | 64.1 Ų | 64.1 | 19% | 0.191 | 34% | 0.342 | C | S | . | . | trans | -59.6 | 141.5 | 174.7 | -71.3 | -166.6 | -174.6 | 179 | 0 | 111.1 | M37 N40 Q46 M47 D50 | M37-K42 HydrophobicContact CB-CD 3.93Å; M37-K42 HydrophobicContact CB-CG 4.36Å; M37-K42 HydrophobicContact CG-CD 3.73Å; M37-K42 PolarHBondContact O-N 3.37Å; M37-K42 HydrophobicContact SD-CD 3.82Å; M37-K42 PolarHBondContact SD-NZ 2.66Å; M37-K42 VanDerWaalsContact SD-NZ 3.36Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.13Å; K42-Q46 HydrophobicContact CD-CG 4.31Å; K42-M47 HydrophobicContact CB-CG 3.55Å; K42-M47 HydrophobicContact CB-SD 4.46Å; K42-M47 HydrophobicContact CD-CG 4.39Å; K42-D50 VanDerWaalsContact NZ-CG 3.34Å; K42-D50 IonicContact NZ-OD1 2.69Å; K42-D50 IonicContact NZ-OD2 2.64Å; K42-D50 PolarHBondContact NZ-OD2 3.03Å | ||
| 43 | T | 91.6 | Very high | 90.8 | Very high | 83 Ų | 83 | 68 Ų | 68 | 51% | 0.509 | 36% | 0.361 | S | S | . | . | trans | -69.1 | 162.7 | 177.4 | 65.1 | 0 | 0 | 0 | 0 | 111.7 | Q45 Q46 M47 | T43-Q45 VanDerWaalsContact C-N 3.27Å; T43-Q45 PolarHBondContact O-N 3.09Å; T43-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 VanDerWaalsContact O-N 3.16Å; T43-Q46 PolarHBondContact OG1-N 2.99Å; T43-M47 PolarHBondContact O-N 3.12Å | ||
| 44 | S | 88.4 | Confident | 90.6 | Very high | 39 Ų | 39 | 69 Ų | 69 | 27% | 0.273 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -58 | -39.5 | 176.5 | -162.9 | 0 | 0 | 0 | 0 | 112.6 | T48 H67 | S44-T48 VanDerWaalsContact O-CB 3.31Å; S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 PolarHBondContact O-N 3.18Å; S44-T48 PolarHBondContact O-OG1 3.32Å; S44-H67 WeakPolarHBondContact CA-CE1 3.41Å; S44-H67 VanDerWaalsContact CB-CE1 3.42Å; S44-H67 WeakPolarHBondContact CB-CE1 3.22Å; S44-H67 PolarHBondContact N-CE1 3.4Å; S44-H67 PolarHBondContact N-NE2 3.07Å |
| 45 | Q | 90.2 | Very high | 90.4 | Very high | 136 Ų | 136 | 69.6 Ų | 69.6 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.1 | -51.2 | 173.5 | -178.8 | 179.4 | -15.8 | 0 | 0 | 111.4 | T43 M47 T48 E49 | T43-Q45 VanDerWaalsContact C-N 3.27Å; T43-Q45 PolarHBondContact O-N 3.09Å; Q45-M47 PolarHBondContact O-N 3.18Å; Q45-T48 CarbonylContact O-C 3.59Å; Q45-T48 WeakPolarHBondContact O-CA 3.46Å; Q45-T48 WeakPolarHBondContact O-CB 3.49Å; Q45-T48 PolarHBondContact O-N 2.92Å; Q45-E49 WeakPolarHBondContact CG-OE1 3.49Å; Q45-E49 PolarHBondContact NE2-OE1 3.24Å; Q45-E49 PolarHBondContact O-N 2.99Å |
| 46 | Q | 92.3 | Very high | 90.2 | Very high | 95 Ų | 95 | 68.7 Ų | 68.7 | 44% | 0.444 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.9 | -37.5 | -175.8 | -163.2 | 171.2 | 30.3 | 0 | 0 | 112.5 | K42 T43 T48 E49 D50 | K42-Q46 HydrophobicContact CD-CG 4.31Å; T43-Q46 PolarHBondContact O-N 3.22Å; T43-Q46 VanDerWaalsContact O-N 3.16Å; T43-Q46 PolarHBondContact OG1-N 2.99Å; Q46-T48 PolarHBondContact O-N 3.46Å; Q46-E49 PolarHBondContact O-N 3.11Å; Q46-D50 PolarHBondContact O-N 3.06Å; Q46-D50 VanDerWaalsContact O-OD2 3.13Å |
| 47 | M | 91.4 | Very high | 90 | Very high | 2 Ų | 2 | 72.2 Ų | 72.2 | 1% | 0.01 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.9 | -29 | 169.1 | -70.5 | -150.8 | -75.8 | 0 | 0 | 112.3 | M37 V38 K42 T43 Q45 L51 T63 L66 H67 | M37-M47 HydrophobicContact CB-CG 4.25Å; M37-M47 HydrophobicContact CB-SD 3.84Å; M37-M47 HydrophobicContact SD-CG 4.46Å; V38-M47 HydrophobicContact CG2-CE 4.47Å; V38-M47 HydrophobicContact CG2-SD 4.33Å; K42-M47 HydrophobicContact CB-CG 3.55Å; K42-M47 HydrophobicContact CB-SD 4.46Å; K42-M47 HydrophobicContact CD-CG 4.39Å; T43-M47 PolarHBondContact O-N 3.12Å; Q45-M47 PolarHBondContact O-N 3.18Å; M47-L51 WeakPolarHBondContact O-CB 3.18Å; M47-L51 VanDerWaalsContact O-CG 3.28Å; M47-L51 WeakPolarHBondContact O-CG 3.28Å; M47-L51 PolarHBondContact O-N 3.27Å; M47-T63 HydrophobicContact CB-CG2 4.01Å; M47-L66 HydrophobicContact CE-CD2 3.81Å; M47-L66 HydrophobicContact CE-CG 4.39Å; M47-L66 HydrophobicContact SD-CD2 4.06Å; M47-H67 WeakPolarHBondContact CE-CE1 3.39Å |
| 48 | T | 91.8 | Very high | 89.9 | Confident | 32 Ų | 32 | 74.4 Ų | 74.4 | 20% | 0.196 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -73.1 | -40.6 | 174.7 | -57.6 | 0 | 0 | 0 | 0 | 111.3 | S44 Q45 Q46 S52 T59 I60 T63 | S44-T48 VanDerWaalsContact O-CB 3.31Å; S44-T48 WeakPolarHBondContact O-CB 3.43Å; S44-T48 PolarHBondContact O-N 3.18Å; S44-T48 PolarHBondContact O-OG1 3.32Å; Q45-T48 CarbonylContact O-C 3.59Å; Q45-T48 WeakPolarHBondContact O-CA 3.46Å; Q45-T48 WeakPolarHBondContact O-CB 3.49Å; Q45-T48 PolarHBondContact O-N 2.92Å; Q46-T48 PolarHBondContact O-N 3.46Å; T48-S52 WeakPolarHBondContact O-CB 3.17Å; T48-S52 PolarHBondContact O-N 3.3Å; T48-T59 HydrophobicContact CG2-CG2 3.91Å; T48-I60 HydrophobicContact CG2-CG1 3.93Å; T48-T63 WeakPolarHBondContact OG1-CB 3.4Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.47Å; T48-T63 PolarHBondContact OG1-OG1 3.36Å |
| 49 | E | 92.9 | Very high | 89.9 | Confident | 111 Ų | 111 | 72.8 Ų | 72.8 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.4 | -48.1 | 174.9 | -70.9 | 168.3 | -166.3 | 0 | 0 | 111.6 | Q45 Q46 | Q45-E49 WeakPolarHBondContact CG-OE1 3.49Å; Q45-E49 PolarHBondContact NE2-OE1 3.24Å; Q45-E49 PolarHBondContact O-N 2.99Å; Q46-E49 PolarHBondContact O-N 3.11Å |
| 50 | D | 92.3 | Very high | 90 | Very high | 46 Ų | 46 | 74.4 Ų | 74.4 | 25% | 0.246 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 178.6 | -74.1 | -60.5 | 0 | 0 | 0 | 113.1 | Y33 M37 K42 Q46 F54 | Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 2.82Å; M37-D50 HydrophobicContact SD-CB 3.77Å; K42-D50 VanDerWaalsContact NZ-CG 3.34Å; K42-D50 IonicContact NZ-OD1 2.69Å; K42-D50 IonicContact NZ-OD2 2.64Å; K42-D50 PolarHBondContact NZ-OD2 3.03Å; Q46-D50 PolarHBondContact O-N 3.06Å; Q46-D50 VanDerWaalsContact O-OD2 3.13Å; D50-F54 WeakPolarHBondContact O-CD2 3.46Å |
| 51 | L | 91.3 | Very high | 89.9 | Confident | 0 Ų | 0 | 75.6 Ų | 75.6 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -84.6 | -14.8 | -178.5 | -67.5 | 172.4 | 0 | 0 | 0 | 114.3 | L30 Y33 I34 M37 M47 L53 F54 L55 T59 F62 T63 | L30-L51 HydrophobicContact CD1-CD2 3.99Å; Y33-L51 HydrophobicContact CD1-CD2 4.48Å; I34-L51 HydrophobicContact CD1-CD2 4.21Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.86Å; M37-L51 HydrophobicContact CE-CD1 4.05Å; M37-L51 HydrophobicContact CE-CD2 3.72Å; M37-L51 HydrophobicContact CE-CG 3.74Å; M47-L51 WeakPolarHBondContact O-CB 3.18Å; M47-L51 VanDerWaalsContact O-CG 3.28Å; M47-L51 WeakPolarHBondContact O-CG 3.28Å; M47-L51 PolarHBondContact O-N 3.27Å; L51-L53 PolarHBondContact O-N 3.47Å; L51-L53 VanDerWaalsContact O-N 3.15Å; L51-F54 HydrophobicContact CD2-CD2 4.46Å; L51-F54 PolarHBondContact O-N 2.91Å; L51-L55 HydrophobicContact CB-CD1 4.25Å; L51-L55 HydrophobicContact CD1-CD1 4.39Å; L51-L55 PolarHBondContact O-N 3.44Å; L51-T59 HydrophobicContact CB-CG2 3.55Å; L51-T59 PolarHBondContact O-OG1 2.99Å; L51-F62 HydrophobicContact CD1-CD1 3.83Å; L51-F62 HydrophobicContact CD1-CE1 3.79Å; L51-T63 HydrophobicContact CD1-CG2 4.07Å |
| 52 | S | 92.3 | Very high | 90.2 | Very high | 60 Ų | 60 | 66.7 Ų | 66.7 | 42% | 0.42 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.1 | -35.1 | 176.9 | -179.2 | 0 | 0 | 0 | 0 | 112.3 | T48 F54 G56 T59 | T48-S52 WeakPolarHBondContact O-CB 3.17Å; T48-S52 PolarHBondContact O-N 3.3Å; S52-F54 PolarHBondContact O-N 2.97Å; S52-G56 WeakPolarHBondContact O-CA 3.28Å; S52-G56 PolarHBondContact O-N 2.86Å; S52-T59 WeakPolarHBondContact CA-OG1 3.42Å |
| 53 | L | 87.6 | Confident | 90.4 | Very high | 141 Ų | 141 | 64.6 Ų | 64.6 | 74% | 0.738 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -72.1 | -12 | 178.2 | -60.5 | 179.8 | 0 | 0 | 0 | 114.9 | L51 | L51-L53 PolarHBondContact O-N 3.47Å; L51-L53 VanDerWaalsContact O-N 3.15Å |
| 54 | F | 88.2 | Confident | 90.5 | Very high | 106 Ų | 106 | 64.8 Ų | 64.8 | 47% | 0.465 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -115.5 | -37.8 | -178.3 | -59.4 | -89.6 | 0 | 0 | 0 | 112.5 | L30 Y33 D50 L51 S52 | L30-F54 HydrophobicContact CD1-CB 4.33Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.12Å; L30-F54 HydrophobicContact CD2-CB 4.44Å; Y33-F54 HydrophobicContact CE1-CE2 4.49Å; D50-F54 WeakPolarHBondContact O-CD2 3.46Å; L51-F54 HydrophobicContact CD2-CD2 4.46Å; L51-F54 PolarHBondContact O-N 2.91Å; S52-F54 PolarHBondContact O-N 2.97Å |
| 55 | L | 86.9 | Confident | 90.7 | Very high | 12 Ų | 12 | 66.3 Ų | 66.3 | 6% | 0.063 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -112.6 | -8.6 | -172.9 | -51.9 | -180 | 0 | 0 | 0 | 113.6 | L19 A24 L30 L51 N57 N58 T59 F62 | L19-L55 HydrophobicContact CD2-CD1 3.7Å; L19-L55 HydrophobicContact CD2-CD2 3.66Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; A24-L55 HydrophobicContact CB-CD2 3.58Å; L30-L55 HydrophobicContact CD2-CD2 4.24Å; L51-L55 HydrophobicContact CB-CD1 4.25Å; L51-L55 HydrophobicContact CD1-CD1 4.39Å; L51-L55 PolarHBondContact O-N 3.44Å; L55-N57 PolarHBondContact O-N 3.31Å; L55-N58 WeakPolarHBondContact O-CB 3.37Å; L55-N58 PolarHBondContact O-N 3.38Å; L55-T59 WeakPolarHBondContact CB-OG1 3.32Å; L55-F62 HydrophobicContact CD1-CB 3.98Å; L55-F62 HydrophobicContact CD1-CD1 3.7Å; L55-F62 HydrophobicContact CD1-CE1 4.38Å; L55-F62 HydrophobicContact CD1-CG 3.79Å |
| 56 | G | 87 | Confident | 90.8 | Very high | 34 Ų | 34 | 59.9 Ų | 59.9 | 35% | 0.351 | 31% | 0.312 | S | S | . | . | G | 310 helix | trans | 50.2 | -125.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | S52 N58 T59 | S52-G56 WeakPolarHBondContact O-CA 3.28Å; S52-G56 PolarHBondContact O-N 2.86Å; G56-N58 PolarHBondContact O-N 2.86Å; G56-T59 PolarHBondContact N-OG1 2.96Å; G56-T59 VanDerWaalsContact O-CB 3.27Å; G56-T59 WeakPolarHBondContact O-CB 3.22Å; G56-T59 PolarHBondContact O-N 2.9Å; G56-T59 VanDerWaalsContact O-N 3.08Å; G56-T59 PolarHBondContact O-OG1 3.39Å |
| 57 | N | 87.4 | Confident | 90.8 | Very high | 156 Ų | 156 | 58.3 Ų | 58.3 | 83% | 0.834 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -62.1 | -23.3 | -180 | -55.4 | 61.1 | 0 | 0 | 0 | 113.6 | L55 T59 | L55-N57 PolarHBondContact O-N 3.31Å; N57-T59 VanDerWaalsContact C-N 3.31Å |
| 58 | N | 88.4 | Confident | 90.8 | Very high | 47 Ų | 47 | 59.9 Ų | 59.9 | 25% | 0.251 | 32% | 0.321 | S | S | . | . | G | 310 helix | trans | -81.8 | -9.6 | 178 | -72.3 | -27.4 | 0 | 0 | 0 | 113.2 | L22 L55 G56 I60 K61 F62 | L22-N58 HydrophobicContact CB-CB 4.33Å; L22-N58 HydrophobicContact CD1-CB 4.44Å; L22-N58 HydrophobicContact CD2-CB 4.23Å; L22-N58 PolarHBondContact O-ND2 3.3Å; L55-N58 WeakPolarHBondContact O-CB 3.37Å; L55-N58 PolarHBondContact O-N 3.38Å; G56-N58 PolarHBondContact O-N 2.86Å; N58-I60 PolarHBondContact O-N 3.15Å; N58-K61 PolarHBondContact O-N 3.09Å; N58-F62 PolarHBondContact O-N 3.41Å |
| 59 | T | 91.6 | Very high | 90.8 | Very high | 2 Ų | 2 | 60.1 Ų | 60.1 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -57.9 | -48.9 | -177.3 | -47.6 | 0 | 0 | 0 | 0 | 112.9 | T48 L51 S52 L55 G56 N57 K61 F62 T63 | T48-T59 HydrophobicContact CG2-CG2 3.91Å; L51-T59 HydrophobicContact CB-CG2 3.55Å; L51-T59 PolarHBondContact O-OG1 2.99Å; S52-T59 WeakPolarHBondContact CA-OG1 3.42Å; L55-T59 WeakPolarHBondContact CB-OG1 3.32Å; G56-T59 PolarHBondContact N-OG1 2.96Å; G56-T59 VanDerWaalsContact O-CB 3.27Å; G56-T59 WeakPolarHBondContact O-CB 3.22Å; G56-T59 PolarHBondContact O-N 2.9Å; G56-T59 VanDerWaalsContact O-N 3.08Å; G56-T59 PolarHBondContact O-OG1 3.39Å; N57-T59 VanDerWaalsContact C-N 3.31Å; T59-K61 VanDerWaalsContact C-N 3.29Å; T59-K61 PolarHBondContact O-N 3.35Å; T59-F62 CarbonylContact O-C 3.59Å; T59-F62 WeakPolarHBondContact O-CB 3.4Å; T59-F62 PolarHBondContact O-N 3.1Å; T59-F62 VanDerWaalsContact O-N 3.08Å; T59-T63 HydrophobicContact CG2-CG2 4.06Å; T59-T63 PolarHBondContact O-N 2.91Å; T59-T63 PolarHBondContact O-OG1 2.97Å; T59-T63 VanDerWaalsContact O-OG1 3.09Å |
| 60 | I | 90.1 | Very high | 90.6 | Very high | 115 Ų | 115 | 56.4 Ų | 56.4 | 59% | 0.59 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63.4 | -38.6 | -175.8 | -59.3 | 169.7 | 0 | 0 | 0 | 110.7 | T48 N58 T63 T64 | T48-I60 HydrophobicContact CG2-CG1 3.93Å; N58-I60 PolarHBondContact O-N 3.15Å; I60-T63 PolarHBondContact O-OG1 2.89Å; I60-T64 VanDerWaalsContact O-CB 3.29Å; I60-T64 WeakPolarHBondContact O-CB 3.47Å; I60-T64 PolarHBondContact O-N 3.17Å; I60-T64 PolarHBondContact O-OG1 2.6Å |
| 61 | K | 90.8 | Very high | 90.5 | Very high | 140 Ų | 140 | 58.4 Ų | 58.4 | 61% | 0.609 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -62.8 | -44.6 | 174.3 | -59.3 | 176.9 | -177.1 | 172.1 | 0 | 110.5 | N58 T59 W65 | N58-K61 PolarHBondContact O-N 3.09Å; T59-K61 VanDerWaalsContact C-N 3.29Å; T59-K61 PolarHBondContact O-N 3.35Å; K61-W65 WeakPolarHBondContact O-CB 3.47Å; K61-W65 PolarHBondContact O-N 3.04Å; K61-W65 VanDerWaalsContact O-N 3.14Å |
| 62 | F | 92.8 | Very high | 90.3 | Very high | 0 Ų | 0 | 65.7 Ų | 65.7 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -68 | -46.9 | 179.6 | -178.9 | -96.7 | 0 | 0 | 0 | 113.5 | I15 K18 L19 L22 I34 L51 L55 N58 T59 T64 W65 L66 | I15-F62 HydrophobicContact CG1-CZ 4.35Å; I15-F62 HydrophobicContact CG2-CE2 4.48Å; I15-F62 HydrophobicContact CG2-CZ 4.04Å; K18-F62 HydrophobicContact CB-CE2 4.38Å; K18-F62 HydrophobicContact CG-CD2 4.24Å; K18-F62 HydrophobicContact CG-CE2 4.48Å; L19-F62 HydrophobicContact CD2-CD2 3.82Å; L19-F62 HydrophobicContact CD2-CE1 4.41Å; L19-F62 HydrophobicContact CD2-CE2 3.59Å; L19-F62 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CZ 3.93Å; L19-F62 HydrophobicContact CG-CD2 4.44Å; L19-F62 HydrophobicContact CG-CE2 3.86Å; L19-F62 HydrophobicContact CG-CZ 4.29Å; L22-F62 HydrophobicContact CD1-CB 3.87Å; L22-F62 HydrophobicContact CD1-CD2 4.02Å; L22-F62 HydrophobicContact CD1-CG 4.4Å; I34-F62 HydrophobicContact CD1-CE1 3.88Å; I34-F62 HydrophobicContact CD1-CZ 3.84Å; I34-F62 HydrophobicContact CG1-CE1 4.47Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.33Å; L51-F62 HydrophobicContact CD1-CD1 3.83Å; L51-F62 HydrophobicContact CD1-CE1 3.79Å; L55-F62 HydrophobicContact CD1-CB 3.98Å; L55-F62 HydrophobicContact CD1-CD1 3.7Å; L55-F62 HydrophobicContact CD1-CE1 4.38Å; L55-F62 HydrophobicContact CD1-CG 3.79Å; N58-F62 PolarHBondContact O-N 3.41Å; T59-F62 CarbonylContact O-C 3.59Å; T59-F62 WeakPolarHBondContact O-CB 3.4Å; T59-F62 PolarHBondContact O-N 3.1Å; T59-F62 VanDerWaalsContact O-N 3.08Å; F62-T64 PolarHBondContact O-N 3.35Å; F62-W65 HydrophobicContact CD2-CE3 4.01Å; F62-W65 HydrophobicContact CD2-CZ3 4.19Å; F62-W65 AromaticContact CE2-CE3 3.86Å; F62-W65 HydrophobicContact CE2-CE3 3.86Å; F62-W65 AromaticContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CZ-CE3 4.47Å; F62-W65 HydrophobicContact CZ-CZ3 4.08Å; F62-W65 PolarHBondContact O-N 3.4Å; F62-L66 HydrophobicContact CE1-CB 4.44Å; F62-L66 HydrophobicContact CE1-CD2 3.89Å; F62-L66 HydrophobicContact CZ-CD2 4.3Å; F62-L66 VanDerWaalsContact O-CB 3.3Å; F62-L66 WeakPolarHBondContact O-CB 3.08Å; F62-L66 PolarHBondContact O-N 3.47Å |
| 63 | T | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -70.3 | -33.1 | -176.5 | 51.8 | 0 | 0 | 0 | 0 | 112.7 | M47 T48 L51 T59 I60 H67 | M47-T63 HydrophobicContact CB-CG2 4.01Å; T48-T63 WeakPolarHBondContact OG1-CB 3.4Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.47Å; T48-T63 PolarHBondContact OG1-OG1 3.36Å; L51-T63 HydrophobicContact CD1-CG2 4.07Å; T59-T63 HydrophobicContact CG2-CG2 4.06Å; T59-T63 PolarHBondContact O-N 2.91Å; T59-T63 PolarHBondContact O-OG1 2.97Å; T59-T63 VanDerWaalsContact O-OG1 3.09Å; I60-T63 PolarHBondContact O-OG1 2.89Å; T63-H67 PolarHBondContact O-N 2.98Å; T63-H67 PolarHBondContact O-ND1 3.01Å |
| 64 | T | 93.2 | Very high | 89.8 | Confident | 86 Ų | 86 | 66.2 Ų | 66.2 | 53% | 0.528 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -66 | -47.8 | 171.2 | -55.1 | 0 | 0 | 0 | 0 | 111.1 | I60 F62 L66 H67 G68 | I60-T64 VanDerWaalsContact O-CB 3.29Å; I60-T64 WeakPolarHBondContact O-CB 3.47Å; I60-T64 PolarHBondContact O-N 3.17Å; I60-T64 PolarHBondContact O-OG1 2.6Å; F62-T64 PolarHBondContact O-N 3.35Å; T64-L66 PolarHBondContact O-N 3.35Å; T64-H67 PolarHBondContact O-N 3.11Å; T64-G68 PolarHBondContact O-N 3.11Å |
| 65 | W | 93.9 | Very high | 89.5 | Confident | 71 Ų | 71 | 64.7 Ų | 64.7 | 27% | 0.269 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -59.3 | -45.9 | 174.4 | 167.1 | 86.4 | 0 | 0 | 0 | 112 | A14 I15 K18 K61 F62 H67 G68 V69 | A14-W65 HydrophobicContact CB-CH2 4.31Å; A14-W65 HydrophobicContact CB-CZ2 4.46Å; A14-W65 WeakPolarHBondContact O-CH2 3.33Å; I15-W65 HydrophobicContact CG1-CH2 4.47Å; I15-W65 HydrophobicContact CG1-CZ3 4.33Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.18Å; K18-W65 HydrophobicContact CB-CH2 3.55Å; K18-W65 HydrophobicContact CB-CZ2 3.71Å; K18-W65 HydrophobicContact CB-CZ3 3.8Å; K18-W65 HydrophobicContact CD-CD2 4.04Å; K18-W65 HydrophobicContact CD-CG 4.31Å; K18-W65 HydrophobicContact CD-CZ2 4.17Å; K18-W65 HydrophobicContact CG-CD2 3.69Å; K18-W65 HydrophobicContact CG-CE3 3.78Å; K18-W65 HydrophobicContact CG-CG 4.31Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.92Å; K18-W65 HydrophobicContact CG-CZ3 3.95Å; K61-W65 WeakPolarHBondContact O-CB 3.47Å; K61-W65 PolarHBondContact O-N 3.04Å; K61-W65 VanDerWaalsContact O-N 3.14Å; F62-W65 HydrophobicContact CD2-CE3 4.01Å; F62-W65 HydrophobicContact CD2-CZ3 4.19Å; F62-W65 AromaticContact CE2-CE3 3.86Å; F62-W65 HydrophobicContact CE2-CE3 3.86Å; F62-W65 AromaticContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CE2-CZ3 3.57Å; F62-W65 HydrophobicContact CZ-CE3 4.47Å; F62-W65 HydrophobicContact CZ-CZ3 4.08Å; F62-W65 PolarHBondContact O-N 3.4Å; W65-H67 PolarHBondContact O-N 3.25Å; W65-G68 PolarHBondContact O-N 3.49Å; W65-G68 VanDerWaalsContact O-N 3.13Å; W65-V69 HydrophobicContact CD2-CG2 4.19Å; W65-V69 HydrophobicContact CZ2-CG2 3.91Å; W65-V69 WeakPolarHBondContact O-CG2 3.48Å; W65-V69 PolarHBondContact O-N 2.94Å |
| 66 | L | 92.8 | Very high | 89.2 | Confident | 1 Ų | 1 | 69.8 Ų | 69.8 | 1% | 0.005 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -62.4 | -43.5 | -178.6 | 179.9 | 61 | 0 | 0 | 0 | 111.3 | I15 I34 V38 M47 F62 T64 V69 L70 | I15-L66 HydrophobicContact CD1-CD1 4.18Å; I15-L66 HydrophobicContact CG1-CD1 4.14Å; I34-L66 HydrophobicContact CG2-CD2 3.6Å; V38-L66 HydrophobicContact CG2-CD2 4.15Å; M47-L66 HydrophobicContact CE-CD2 3.81Å; M47-L66 HydrophobicContact CE-CG 4.39Å; M47-L66 HydrophobicContact SD-CD2 4.06Å; F62-L66 HydrophobicContact CE1-CB 4.44Å; F62-L66 HydrophobicContact CE1-CD2 3.89Å; F62-L66 HydrophobicContact CZ-CD2 4.3Å; F62-L66 VanDerWaalsContact O-CB 3.3Å; F62-L66 WeakPolarHBondContact O-CB 3.08Å; F62-L66 PolarHBondContact O-N 3.47Å; T64-L66 PolarHBondContact O-N 3.35Å; L66-V69 PolarHBondContact O-N 2.71Å; L66-L70 HydrophobicContact CD1-CD1 4.01Å; L66-L70 HydrophobicContact CD1-CG 4.26Å; L66-L70 HydrophobicContact CG-CD1 3.91Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 2.97Å |
| 67 | H | 90.5 | Very high | 88.3 | Confident | 63 Ų | 63 | 71.7 Ų | 71.7 | 29% | 0.292 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -60.4 | -46.1 | 172.1 | -85.6 | 78.6 | 0 | 0 | 0 | 111.7 | S44 M47 T63 T64 W65 V69 L70 E71 | S44-H67 WeakPolarHBondContact CA-CE1 3.41Å; S44-H67 VanDerWaalsContact CB-CE1 3.42Å; S44-H67 WeakPolarHBondContact CB-CE1 3.22Å; S44-H67 PolarHBondContact N-CE1 3.4Å; S44-H67 PolarHBondContact N-NE2 3.07Å; M47-H67 WeakPolarHBondContact CE-CE1 3.39Å; T63-H67 PolarHBondContact O-N 2.98Å; T63-H67 PolarHBondContact O-ND1 3.01Å; T64-H67 PolarHBondContact O-N 3.11Å; W65-H67 PolarHBondContact O-N 3.25Å; H67-V69 VanDerWaalsContact C-N 3.29Å; H67-V69 PolarHBondContact O-N 3.38Å; H67-L70 PolarHBondContact O-N 3.28Å; H67-E71 VanDerWaalsContact O-CB 3.32Å; H67-E71 WeakPolarHBondContact O-CB 3.42Å; H67-E71 PolarHBondContact O-N 3.35Å |
| 68 | G | 91.9 | Very high | 86.7 | Confident | 34 Ų | 34 | 67.2 Ų | 67.2 | 35% | 0.351 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.8 | -34 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | T64 W65 K72 | T64-G68 PolarHBondContact O-N 3.11Å; W65-G68 PolarHBondContact O-N 3.49Å; W65-G68 VanDerWaalsContact O-N 3.13Å; G68-K72 VanDerWaalsContact O-CG 3.27Å; G68-K72 WeakPolarHBondContact O-CG 3.47Å; G68-K72 PolarHBondContact O-N 3.2Å |
| 69 | V | 91.3 | Very high | 84.5 | Confident | 38 Ų | 38 | 72 Ų | 72 | 23% | 0.23 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -71.8 | -45.9 | 174.1 | 171 | 0 | 0 | 0 | 0 | 111.3 | W65 L66 H67 E71 K72 L73 | W65-V69 HydrophobicContact CD2-CG2 4.19Å; W65-V69 HydrophobicContact CZ2-CG2 3.91Å; W65-V69 WeakPolarHBondContact O-CG2 3.48Å; W65-V69 PolarHBondContact O-N 2.94Å; L66-V69 PolarHBondContact O-N 2.71Å; H67-V69 VanDerWaalsContact C-N 3.29Å; H67-V69 PolarHBondContact O-N 3.38Å; V69-E71 VanDerWaalsContact C-N 3.31Å; V69-E71 PolarHBondContact O-N 3.25Å; V69-K72 PolarHBondContact O-N 3.42Å; V69-L73 HydrophobicContact CG1-CD1 3.91Å; V69-L73 HydrophobicContact CG1-CG 4.47Å; V69-L73 WeakPolarHBondContact O-CB 3.34Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 3.28Å |
| 70 | L | 89.4 | Confident | 82 | Confident | 33 Ų | 33 | 76.1 Ų | 76.1 | 17% | 0.173 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -66.9 | -32.2 | 179.2 | -67.2 | 167.5 | 0 | 0 | 0 | 112.5 | I11 V38 L66 H67 R74 | I11-L70 HydrophobicContact CD1-CD2 4.15Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.78Å; V38-L70 HydrophobicContact CG1-CD2 3.68Å; V38-L70 HydrophobicContact CG1-CG 4.4Å; V38-L70 HydrophobicContact CG2-CD1 3.66Å; L66-L70 HydrophobicContact CD1-CD1 4.01Å; L66-L70 HydrophobicContact CD1-CG 4.26Å; L66-L70 HydrophobicContact CG-CD1 3.91Å; L66-L70 WeakPolarHBondContact O-CB 3.48Å; L66-L70 VanDerWaalsContact O-CG 3.23Å; L66-L70 WeakPolarHBondContact O-CG 3.42Å; L66-L70 PolarHBondContact O-N 2.97Å; H67-L70 PolarHBondContact O-N 3.28Å; L70-R74 WeakPolarHBondContact O-CB 3.29Å; L70-R74 PolarHBondContact O-N 3.29Å |
| 71 | E | 89.9 | Confident | 79.8 | Confident | 87 Ų | 87 | 77 Ų | 77 | 41% | 0.407 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -64.1 | -54 | 173 | -163.9 | 59.6 | -139.1 | 0 | 0 | 110.6 | H67 V69 L73 R74 S75 | H67-E71 VanDerWaalsContact O-CB 3.32Å; H67-E71 WeakPolarHBondContact O-CB 3.42Å; H67-E71 PolarHBondContact O-N 3.35Å; V69-E71 VanDerWaalsContact C-N 3.31Å; V69-E71 PolarHBondContact O-N 3.25Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.43Å; E71-R74 CarbonylContact O-C 3.56Å; E71-R74 WeakPolarHBondContact O-CA 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.44Å; E71-R74 PolarHBondContact O-N 2.88Å; E71-R74 IonicContact OE1-CZ 2.77Å; E71-R74 VanDerWaalsContact OE1-CZ 3.26Å; E71-R74 IonicContact OE1-NH1 2.68Å; E71-R74 IonicContact OE1-NH2 2.72Å; E71-R74 PolarHBondContact OE1-NH2 3.12Å; E71-R74 IonicContact OE2-CZ 2.61Å; E71-R74 IonicContact OE2-NH1 3.72Å; E71-R74 PolarHBondContact OE2-NH1 3.33Å; E71-R74 IonicContact OE2-NH2 2.6Å; E71-R74 PolarHBondContact OE2-NH2 3.17Å; E71-S75 PolarHBondContact O-N 3.41Å; E71-S75 PolarHBondContact O-OG 3.38Å; E71-S75 VanDerWaalsContact O-OG 3.12Å |
| 72 | K | 87.8 | Confident | 77.2 | Confident | 153 Ų | 153 | 75.3 Ų | 75.3 | 67% | 0.665 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -58.4 | -41.6 | 177.9 | -70.8 | 174 | -177.8 | -173.2 | 0 | 112.5 | G68 V69 R74 S75 V76 | G68-K72 VanDerWaalsContact O-CG 3.27Å; G68-K72 WeakPolarHBondContact O-CG 3.47Å; G68-K72 PolarHBondContact O-N 3.2Å; V69-K72 PolarHBondContact O-N 3.42Å; K72-R74 VanDerWaalsContact C-N 3.32Å; K72-R74 PolarHBondContact O-N 3.24Å; K72-S75 PolarHBondContact O-N 3.07Å; K72-V76 WeakPolarHBondContact O-CG2 3.41Å; K72-V76 PolarHBondContact O-N 3.05Å |
| 73 | L | 85.3 | Confident | 74.5 | Confident | 66 Ų | 66 | 81.3 Ų | 81.3 | 35% | 0.346 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.8 | -34 | 175 | -71.4 | 173.1 | 0 | 0 | 0 | 112.2 | I11 V69 E71 A77 | I11-L73 HydrophobicContact CD1-CD1 3.81Å; I11-L73 HydrophobicContact CG1-CD1 3.62Å; V69-L73 HydrophobicContact CG1-CD1 3.91Å; V69-L73 HydrophobicContact CG1-CG 4.47Å; V69-L73 WeakPolarHBondContact O-CB 3.34Å; V69-L73 WeakPolarHBondContact O-CG 3.49Å; V69-L73 PolarHBondContact O-N 3.28Å; E71-L73 VanDerWaalsContact C-N 3.32Å; E71-L73 PolarHBondContact O-N 3.43Å; L73-A77 WeakPolarHBondContact O-CB 3.3Å; L73-A77 PolarHBondContact O-N 3.36Å |
| 74 | R | 83.2 | Confident | 71.7 | Confident | 147 Ų | 147 | 89 Ų | 89 | 56% | 0.555 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -71.3 | -37 | 173.9 | -169.4 | 168.1 | 79.2 | -102.4 | 7.7 | 112.4 | L70 E71 K72 G78 | L70-R74 WeakPolarHBondContact O-CB 3.29Å; L70-R74 PolarHBondContact O-N 3.29Å; E71-R74 CarbonylContact O-C 3.56Å; E71-R74 WeakPolarHBondContact O-CA 3.46Å; E71-R74 WeakPolarHBondContact O-CB 3.44Å; E71-R74 PolarHBondContact O-N 2.88Å; E71-R74 IonicContact OE1-CZ 2.77Å; E71-R74 VanDerWaalsContact OE1-CZ 3.26Å; E71-R74 IonicContact OE1-NH1 2.68Å; E71-R74 IonicContact OE1-NH2 2.72Å; E71-R74 PolarHBondContact OE1-NH2 3.12Å; E71-R74 IonicContact OE2-CZ 2.61Å; E71-R74 IonicContact OE2-NH1 3.72Å; E71-R74 PolarHBondContact OE2-NH1 3.33Å; E71-R74 IonicContact OE2-NH2 2.6Å; E71-R74 PolarHBondContact OE2-NH2 3.17Å; K72-R74 VanDerWaalsContact C-N 3.32Å; K72-R74 PolarHBondContact O-N 3.24Å; R74-G78 PolarHBondContact O-N 3.06Å |
| 75 | S | 83.6 | Confident | 69.4 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 51% | 0.51 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -47.8 | 172.8 | -49 | 0 | 0 | 0 | 0 | 111.3 | E71 K72 A77 G78 | E71-S75 PolarHBondContact O-N 3.41Å; E71-S75 PolarHBondContact O-OG 3.38Å; E71-S75 VanDerWaalsContact O-OG 3.12Å; K72-S75 PolarHBondContact O-N 3.07Å; S75-A77 PolarHBondContact O-N 3.31Å; S75-G78 PolarHBondContact O-N 3.27Å |
| 76 | V | 79.6 | Confident | 66.6 | Low | 119 Ų | 119 | 100 Ų | 100 | 72% | 0.721 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -70.2 | -29.3 | -179.7 | 174.1 | 0 | 0 | 0 | 0 | 112.7 | K72 | K72-V76 WeakPolarHBondContact O-CG2 3.41Å; K72-V76 PolarHBondContact O-N 3.05Å |
| 77 | A | 68.1 | Low | 63.8 | Low | 75 Ų | 75 | 106.5 Ų | 106.5 | 62% | 0.62 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.6 | -3.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L73 S75 | L73-A77 WeakPolarHBondContact O-CB 3.3Å; L73-A77 PolarHBondContact O-N 3.36Å; S75-A77 PolarHBondContact O-N 3.31Å |
| 78 | G | 53.7 | Low | 61.3 | Low | 62 Ų | 62 | 111.3 Ų | 111.3 | 64% | 0.639 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -19.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | R74 S75 | R74-G78 PolarHBondContact O-N 3.06Å; S75-G78 PolarHBondContact O-N 3.27Å |
| 79 | E | 42.2 | Very low | 58.3 | Low | 147 Ų | 147 | 114.5 Ų | 114.5 | 69% | 0.687 | 63% | 0.63 | S | S | * | * | S | Bend | trans | -91.3 | 127.3 | 174.8 | -97 | -80.2 | 95.2 | 0 | 0 | 110.8 | P81 | E79-P81 WeakPolarHBondContact O-CD 3.45Š|
| 80 | P | 39.8 | Very low | 55.4 | Low | 89 Ų | 89 | 120 Ų | 120 | 58% | 0.578 | 66% | 0.658 | S | S | * | * | trans | -76.7 | 117.3 | 173 | 30.1 | -31.4 | 0 | 0 | 0 | 110.5 | S82 | P80-S82 PolarHBondContact O-N 2.95Å; P80-S82 PolarHBondContact O-OG 3.45Å | ||
| 81 | P | 42.5 | Very low | 52.5 | Low | 134 Ų | 134 | 123.6 Ų | 123.6 | 87% | 0.87 | 69% | 0.687 | S | S | * | * | trans | -70.1 | 103.5 | -166.2 | 27.1 | -35.6 | 0 | 0 | 0 | 113 | E79 | E79-P81 WeakPolarHBondContact O-CD 3.45Š| ||
| 82 | S | 36.5 | Very low | 49.7 | Very low | 104 Ų | 104 | 126.2 Ų | 126.2 | 73% | 0.727 | 71% | 0.708 | S | S | * | * | trans | -119 | 81.6 | -179.6 | -58 | 0 | 0 | 0 | 0 | 111.4 | P80 | P80-S82 PolarHBondContact O-N 2.95Å; P80-S82 PolarHBondContact O-OG 3.45Å | ||
| 83 | S | 37.4 | Very low | 47 | Very low | 126 Ų | 126 | 124.7 Ų | 124.7 | 88% | 0.881 | 71% | 0.712 | S | S | * | * | trans | 66.5 | 151.3 | -178.5 | -59.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 84 | L | 34 | Very low | 44.3 | Very low | 161 Ų | 161 | 128.3 Ų | 128.3 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | cis | -146.2 | 155.6 | 28.3 | 172.3 | 144 | 0 | 0 | 0 | 111.5 | ||||
| 85 | R | 43.3 | Very low | 41.7 | Very low | 237 Ų | 237 | 132.4 Ų | 132.4 | 89% | 0.894 | 75% | 0.753 | S | S | * | * | trans | -93.4 | 136.5 | 171 | -85.8 | -165.1 | 176.7 | -149.5 | 2.8 | 112.3 | ||||
| 86 | H | 35 | Very low | 39 | Very low | 152 Ų | 152 | 132.6 Ų | 132.6 | 70% | 0.704 | 77% | 0.767 | S | S | * | * | trans | -39.8 | 127.3 | 161.2 | 169 | 86.8 | 0 | 0 | 0 | 114.8 | ||||
| 87 | L | 35.5 | Very low | 36.9 | Very low | 137 Ų | 137 | 136.8 Ų | 136.8 | 72% | 0.717 | 78% | 0.776 | S | S | * | * | -168.1 | 171.9 | 120.7 | -101.1 | 170.9 | 0 | 0 | 0 | 111.7 | |||||
| 88 | Q | 37.1 | Very low | 35.3 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 76% | 0.762 | 78% | 0.784 | S | S | * | * | trans | -83.4 | 172.3 | -176.5 | -57.5 | 150.5 | -29.5 | 0 | 0 | 111.1 | ||||
| 89 | S | 30.1 | Very low | 34 | Very low | 101 Ų | 101 | 141.1 Ų | 141.1 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -153.8 | 163.3 | 20.4 | -47 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 90 | D | 30.3 | Very low | 33.4 | Very low | 153 Ų | 153 | 141.1 Ų | 141.1 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | 23.7 | 129.1 | 150.7 | -51.3 | -10.6 | 0 | 0 | 0 | 120.5 | ||||
| 91 | S | 28.2 | Very low | 32.7 | Very low | 110 Ų | 110 | 143.1 Ų | 143.1 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | 172.6 | 176.1 | 69.5 | 47.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 92 | V | 31.4 | Very low | 32.2 | Very low | 141 Ų | 141 | 143.3 Ų | 143.3 | 86% | 0.855 | 79% | 0.786 | S | S | * | * | trans | 86.4 | 127.7 | 167 | -175.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 93 | T | 30.4 | Very low | 31.9 | Very low | 122 Ų | 122 | 145.1 Ų | 145.1 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | -88.3 | 151.3 | -176 | -40.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 94 | V | 28.3 | Very low | 31.5 | Very low | 141 Ų | 141 | 142.9 Ų | 142.9 | 86% | 0.855 | 78% | 0.784 | S | S | * | * | trans | -158.6 | 149.4 | 139.2 | 142.8 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 95 | Y | 28 | Very low | 31.5 | Very low | 233 Ų | 233 | 147.1 Ų | 147.1 | 91% | 0.914 | 79% | 0.789 | S | S | * | * | trans | -85.1 | 139.4 | 173.8 | -106 | -107.6 | 0 | 0 | 0 | 111.9 | ||||
| 96 | G | 28.2 | Very low | 30.7 | Very low | 78 Ų | 78 | 139.2 Ų | 139.2 | 80% | 0.804 | 78% | 0.775 | S | S | * | * | trans | 176.9 | 114.8 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 97 | K | 34 | Very low | 30.6 | Very low | 206 Ų | 206 | 139.8 Ų | 139.8 | 90% | 0.896 | 78% | 0.778 | S | S | * | * | trans | -107.5 | 162.2 | 154.9 | -94.6 | -178.9 | 175.2 | -179.8 | 0 | 107.4 | ||||
| 98 | P | 36 | Very low | 30.5 | Very low | 124 Ų | 124 | 138.9 Ų | 138.9 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | cis | -116.5 | -149.4 | 24.2 | 16.5 | 9.4 | 0 | 0 | 0 | 112.5 | ||||
| 99 | C | 26.2 | Very low | 30.4 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | 157.8 | 157.1 | -54.9 | -159.6 | 0 | 0 | 0 | 0 | 110 | |||||
| 100 | I | 28.7 | Very low | 30.5 | Very low | 147 Ų | 147 | 141.4 Ų | 141.4 | 75% | 0.754 | 78% | 0.775 | S | S | * | * | trans | 69.7 | 144.7 | 173.1 | -90.1 | 165.3 | 0 | 0 | 0 | 113.7 | ||||
| 101 | D | 26.8 | Very low | 30.5 | Very low | 131 Ų | 131 | 140.6 Ų | 140.6 | 70% | 0.701 | 77% | 0.77 | S | S | * | * | cis | -154 | 172.8 | 4.7 | -129.5 | -10.4 | 0 | 0 | 0 | 115.7 | ||||
| 102 | E | 30.8 | Very low | 30.6 | Very low | 138 Ų | 138 | 142.9 Ų | 142.9 | 65% | 0.645 | 77% | 0.773 | S | S | * | * | trans | 13.3 | 142.6 | 152.6 | -73.6 | -79 | 70.9 | 0 | 0 | 126.1 | ||||
| 103 | N | 30 | Very low | 30.4 | Very low | 142 Ų | 142 | 140.2 Ų | 140.2 | 76% | 0.759 | 77% | 0.766 | S | S | * | * | trans | 50.2 | 147 | 140.6 | -67.8 | -34.4 | 0 | 0 | 0 | 124.5 | ||||
| 104 | G | 30.3 | Very low | 30.3 | Very low | 79 Ų | 79 | 140.7 Ų | 140.7 | 81% | 0.814 | 77% | 0.768 | S | S | * | * | trans | 160.8 | 98.6 | 156 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 105 | R | 32.3 | Very low | 30.2 | Very low | 249 Ų | 249 | 139.2 Ų | 139.2 | 94% | 0.94 | 76% | 0.764 | S | S | * | * | trans | -83.9 | 158.9 | 174.1 | 177.3 | -174.1 | 171.9 | 167.3 | -2.1 | 111.8 | ||||
| 106 | A | 27.8 | Very low | 30.2 | Very low | 72 Ų | 72 | 132.9 Ų | 132.9 | 60% | 0.595 | 75% | 0.754 | S | S | * | * | trans | 101.2 | 94.8 | 153.1 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 107 | E | 33 | Very low | 30.3 | Very low | 163 Ų | 163 | 133.5 Ų | 133.5 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | 62.6 | 145 | 117.5 | 86.3 | -174.6 | 102.6 | 0 | 0 | 126.5 | |||||
| 108 | N | 32.5 | Very low | 30.3 | Very low | 119 Ų | 119 | 134.1 Ų | 134.1 | 64% | 0.636 | 74% | 0.743 | S | S | * | * | trans | 66.8 | 106.9 | 145.7 | -78.8 | -52.5 | 0 | 0 | 0 | 123.5 | ||||
| 109 | L | 35.5 | Very low | 30 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | 70.5 | 138 | 124.2 | -73 | 172.6 | 0 | 0 | 0 | 123.2 | |||||
| 110 | K | 32.8 | Very low | 30.1 | Very low | 174 Ų | 174 | 135.6 Ų | 135.6 | 76% | 0.757 | 74% | 0.742 | S | S | * | * | trans | 79.8 | 113 | 148.7 | -75.4 | 174.8 | 178.7 | 176.7 | 0 | 121.1 | ||||
| 111 | L | 30.5 | Very low | 30.5 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 72% | 0.717 | 74% | 0.74 | S | S | * | * | 72.1 | 108 | 128 | -60.2 | 172.9 | 0 | 0 | 0 | 120.9 | |||||
| 112 | L | 28.9 | Very low | 30.7 | Very low | 157 Ų | 157 | 139 Ų | 139 | 82% | 0.822 | 74% | 0.744 | S | S | * | * | 73.1 | 138.4 | 125.4 | -63 | 175.7 | 0 | 0 | 0 | 121.9 | |||||
| 113 | A | 28.5 | Very low | 30.7 | Very low | 86 Ų | 86 | 140.7 Ų | 140.7 | 71% | 0.711 | 75% | 0.752 | S | S | * | * | trans | 93 | 103.7 | 140.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 114 | V | 28.3 | Very low | 30.8 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 80% | 0.8 | 76% | 0.755 | S | S | * | * | 68.3 | 116 | 126.5 | -178.8 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 115 | S | 26.3 | Very low | 32.3 | Very low | 109 Ų | 109 | 140.8 Ų | 140.8 | 76% | 0.762 | 75% | 0.754 | S | S | * | * | trans | 29.2 | 139.8 | 136.2 | -42.8 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 116 | S | 27.5 | Very low | 32.1 | Very low | 101 Ų | 101 | 135.4 Ų | 135.4 | 71% | 0.706 | 75% | 0.749 | S | S | * | * | cis | -179 | 156.3 | 44.7 | -155.9 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 117 | S | 30.7 | Very low | 32.3 | Very low | 90 Ų | 90 | 137.3 Ų | 137.3 | 63% | 0.629 | 76% | 0.758 | S | S | * | * | trans | 63.7 | 118.9 | 137.7 | -69.5 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 118 | R | 34.2 | Very low | 32.2 | Very low | 220 Ų | 220 | 134.5 Ų | 134.5 | 83% | 0.83 | 76% | 0.756 | S | S | * | * | 90.7 | 133.9 | 117.8 | -77 | 177.6 | 161.3 | -151.3 | -6.2 | 122 | |||||
| 119 | T | 28.5 | Very low | 32.3 | Very low | 131 Ų | 131 | 134.2 Ų | 134.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | trans | 67.2 | 149.5 | 140.7 | 51.9 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 120 | D | 29.4 | Very low | 32.1 | Very low | 128 Ų | 128 | 131.7 Ų | 131.7 | 68% | 0.684 | 76% | 0.763 | S | S | * | * | cis | -171.4 | 155.5 | -17.7 | 177.1 | -139.4 | 0 | 0 | 0 | 109.1 | ||||
| 121 | R | 35.5 | Very low | 32 | Very low | 193 Ų | 193 | 134 Ų | 134 | 73% | 0.728 | 77% | 0.768 | S | S | * | * | trans | 61 | 168.6 | 159.9 | -91.8 | 179 | 175.4 | -164.9 | -7.8 | 118.4 | ||||
| 122 | M | 31.8 | Very low | 31.9 | Very low | 156 Ų | 156 | 134 Ų | 134 | 77% | 0.768 | 77% | 0.77 | S | S | * | * | cis | -153.2 | 150 | -7.9 | 34.6 | -157.6 | 159.6 | 0 | 0 | 113.2 | ||||
| 123 | E | 31.6 | Very low | 31.9 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 81% | 0.813 | 76% | 0.756 | S | S | * | * | trans | -12 | 148.5 | 149.3 | -45.9 | 177.7 | 105.2 | 0 | 0 | 120.6 | ||||
| 124 | A | 32.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 137 Ų | 137 | 84% | 0.835 | 76% | 0.763 | S | S | * | * | -179.5 | 152.8 | 116 | 0 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 125 | P | 60.3 | Low | 32.8 | Very low | 122 Ų | 122 | 140 Ų | 140 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | trans | -132.3 | 173.4 | -172.6 | 44.1 | -30.3 | 0 | 0 | 0 | 117.1 | ||||
| 126 | V | 28.6 | Very low | 33 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 82% | 0.824 | 76% | 0.757 | S | S | * | * | trans | -169.3 | 138.9 | 145.1 | -93.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 127 | S | 32.2 | Very low | 33.2 | Very low | 112 Ų | 112 | 140.9 Ų | 140.9 | 78% | 0.783 | 76% | 0.763 | S | S | * | * | 72.4 | 139.3 | 59.6 | -81.4 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 128 | S | 30.4 | Very low | 33.6 | Very low | 105 Ų | 105 | 143.4 Ų | 143.4 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | cis | -168.3 | -177.9 | -5.2 | -165.7 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 129 | S | 34.3 | Very low | 33.5 | Very low | 112 Ų | 112 | 135.9 Ų | 135.9 | 78% | 0.783 | 76% | 0.76 | S | S | * | * | trans | 70.2 | 171.8 | 152 | 73.6 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 130 | A | 32.8 | Very low | 34 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 74% | 0.744 | 77% | 0.765 | S | S | * | * | 174.9 | 136.4 | -63.9 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 131 | Y | 29.6 | Very low | 34.1 | Very low | 221 Ų | 221 | 136.5 Ų | 136.5 | 87% | 0.867 | 76% | 0.763 | S | S | * | * | trans | -177.9 | 140 | 145.4 | 57.6 | -100.8 | 0 | 0 | 0 | 109.8 | ||||
| 132 | D | 27.6 | Very low | 33.7 | Very low | 139 Ų | 139 | 136.6 Ų | 136.6 | 74% | 0.743 | 77% | 0.769 | S | S | * | * | 74.9 | 135 | 55.3 | -105.3 | -95.2 | 0 | 0 | 0 | 114.4 | |||||
| 133 | S | 30.1 | Very low | 33.6 | Very low | 75 Ų | 75 | 134.6 Ų | 134.6 | 52% | 0.524 | 77% | 0.77 | S | S | . | * | cis | -170.4 | 169.3 | 11.1 | -150 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 134 | R | 38.7 | Very low | 33.9 | Very low | 231 Ų | 231 | 134.6 Ų | 134.6 | 87% | 0.872 | 76% | 0.763 | S | S | * | * | trans | 71.6 | 155.1 | 156.6 | -62.2 | 157.9 | -152.2 | -154.4 | 6.7 | 119.5 | ||||
| 135 | K | 35.9 | Very low | 33.9 | Very low | 194 Ų | 194 | 137.3 Ų | 137.3 | 84% | 0.843 | 76% | 0.758 | S | S | * | * | cis | -177.5 | 152.2 | -23.5 | 175.3 | 179.6 | 176 | -173.7 | 0 | 107.3 | ||||
| 136 | G | 32.2 | Very low | 32.6 | Very low | 56 Ų | 56 | 137.2 Ų | 137.2 | 58% | 0.577 | 76% | 0.755 | S | S | * | * | cis | 134.3 | 95.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 137 | M | 31.1 | Very low | 32.8 | Very low | 172 Ų | 172 | 135.8 Ų | 135.8 | 85% | 0.847 | 75% | 0.751 | S | S | * | * | trans | -152.5 | 151.3 | 171.9 | -75.6 | -169.3 | 71.3 | 0 | 0 | 108.9 | ||||
| 138 | L | 39.6 | Very low | 32.8 | Very low | 143 Ų | 143 | 135.9 Ų | 135.9 | 75% | 0.749 | 75% | 0.747 | S | S | * | * | cis | 167.9 | 135.5 | -18.1 | -111.3 | 164.9 | 0 | 0 | 0 | 104.4 | ||||
| 139 | G | 32.1 | Very low | 33 | Very low | 62 Ų | 62 | 138 Ų | 138 | 64% | 0.639 | 75% | 0.749 | S | S | * | * | cis | 161.8 | 171.1 | -12.5 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 140 | K | 38 | Very low | 33 | Very low | 212 Ų | 212 | 142.1 Ų | 142.1 | 92% | 0.922 | 75% | 0.752 | S | S | * | * | trans | 74.9 | 140.5 | 169.7 | -50.5 | 167.6 | -178.8 | 175.2 | 0 | 117.2 | ||||
| 141 | G | 31.6 | Very low | 33.2 | Very low | 61 Ų | 61 | 143 Ų | 143 | 63% | 0.629 | 75% | 0.751 | S | S | * | * | cis | 156.3 | 145.7 | -16.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 142 | F | 27.5 | Very low | 32.9 | Very low | 195 Ų | 195 | 140.2 Ų | 140.2 | 86% | 0.855 | 75% | 0.745 | S | S | * | * | trans | 57.6 | 150.5 | 163.9 | -64.5 | -96.4 | 0 | 0 | 0 | 117.9 | ||||
| 143 | S | 29.9 | Very low | 33 | Very low | 113 Ų | 113 | 139.6 Ų | 139.6 | 79% | 0.79 | 75% | 0.746 | S | S | * | * | cis | -154 | -169.6 | 30.1 | -160.7 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 144 | R | 38 | Very low | 33.4 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | trans | -121.3 | 170.8 | -155.7 | -47.5 | 163.3 | -179.3 | 176.9 | -2.2 | 114.8 | ||||
| 145 | H | 32.6 | Very low | 33.4 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 73% | 0.731 | 75% | 0.754 | S | S | * | * | trans | 74.1 | 160.4 | 161.8 | -35.3 | -69.3 | 0 | 0 | 0 | 116 | ||||
| 146 | T | 32.6 | Very low | 33.9 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 74% | 0.736 | 75% | 0.754 | S | S | * | * | cis | -142.5 | 168.6 | 12.1 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 147 | S | 33.2 | Very low | 34.1 | Very low | 106 Ų | 106 | 140.5 Ų | 140.5 | 74% | 0.741 | 77% | 0.765 | S | S | * | * | trans | 71.2 | 158.2 | 145 | -71.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 148 | T | 30.7 | Very low | 34.7 | Very low | 113 Ų | 113 | 137.4 Ų | 137.4 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | cis | 179.8 | 158.7 | -33.1 | -96.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 149 | I | 35 | Very low | 34.6 | Very low | 151 Ų | 151 | 139.4 Ų | 139.4 | 77% | 0.774 | 77% | 0.765 | S | S | * | * | trans | 69.8 | 120.8 | 174.1 | -79 | 159.2 | 0 | 0 | 0 | 113.1 | ||||
| 150 | K | 34.8 | Very low | 34.7 | Very low | 197 Ų | 197 | 141 Ų | 141 | 86% | 0.857 | 77% | 0.773 | S | S | * | * | cis | 124.5 | 160.2 | 36.3 | -106.3 | -157.3 | 172.8 | -175.3 | 0 | 106.9 | ||||
| 151 | P | 36.3 | Very low | 34.5 | Very low | 110 Ų | 110 | 136.6 Ų | 136.6 | 71% | 0.714 | 76% | 0.763 | S | S | * | * | trans | -135.4 | -176.3 | -135.7 | 44.2 | -28.4 | 0 | 0 | 0 | 116.7 | ||||
| 152 | H | 23.7 | Very low | 34.6 | Very low | 162 Ų | 162 | 141.5 Ų | 141.5 | 75% | 0.75 | 77% | 0.774 | S | S | * | * | trans | 62.3 | 109.8 | 142.5 | -175.6 | -66.5 | 0 | 0 | 0 | 119.6 | ||||
| 153 | T | 28.8 | Very low | 34.8 | Very low | 125 Ų | 125 | 138.6 Ų | 138.6 | 77% | 0.767 | 77% | 0.767 | S | S | * | * | -174.6 | 127.1 | 128.8 | 29.2 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 154 | E | 38.9 | Very low | 35 | Very low | 181 Ų | 181 | 139.6 Ų | 139.6 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -77.7 | 146.1 | 140.1 | -171.7 | 173.7 | 132.7 | 0 | 0 | 106.2 | ||||
| 155 | P | 39.3 | Very low | 35 | Very low | 108 Ų | 108 | 138.6 Ų | 138.6 | 70% | 0.701 | 76% | 0.762 | S | S | * | * | cis | -145.2 | -165.1 | 46.1 | 43.7 | -22.8 | 0 | 0 | 0 | 117.1 | ||||
| 156 | L | 45.6 | Very low | 36.1 | Very low | 162 Ų | 162 | 136.5 Ų | 136.5 | 85% | 0.848 | 76% | 0.763 | S | S | * | * | trans | -52.8 | 152.3 | 171.5 | -59.1 | 168.1 | 0 | 0 | 0 | 114.1 | ||||
| 157 | P | 37.9 | Very low | 36.3 | Very low | 124 Ų | 124 | 137.6 Ų | 137.6 | 81% | 0.805 | 76% | 0.76 | S | S | * | * | trans | -130 | 167.3 | 137.3 | 38.2 | -29 | 0 | 0 | 0 | 113.8 | ||||
| 158 | S | 42.8 | Very low | 37.2 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | -126.7 | -174.7 | -178.8 | -57.2 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 159 | E | 37.2 | Very low | 37.7 | Very low | 184 Ų | 184 | 142.3 Ų | 142.3 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 95.3 | 172.9 | 154.9 | -47.5 | -148.7 | 121.8 | 0 | 0 | 120 | ||||
| 160 | A | 35 | Very low | 37.8 | Very low | 96 Ų | 96 | 142 Ų | 142 | 79% | 0.793 | 77% | 0.769 | S | S | * | * | trans | 68.1 | 98.7 | -166.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 161 | V | 32.5 | Very low | 37.8 | Very low | 119 Ų | 119 | 138.6 Ų | 138.6 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | cis | 94.9 | 99.5 | 27.5 | -175.8 | 0 | 0 | 0 | 0 | 115.3 | D163 | V161-D163 HydrophobicContact CG1-CB 4.24Š| ||
| 162 | I | 33.6 | Very low | 37.9 | Very low | 165 Ų | 165 | 140.3 Ų | 140.3 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -150.9 | 126.6 | 137 | -45.3 | 179 | 0 | 0 | 0 | 104.6 | ||||
| 163 | D | 32 | Very low | 38.2 | Very low | 133 Ų | 133 | 140.4 Ų | 140.4 | 71% | 0.711 | 77% | 0.767 | S | S | * | * | cis | 102.9 | 160.2 | 9.2 | -154.7 | 18.6 | 0 | 0 | 0 | 116.1 | V161 | V161-D163 HydrophobicContact CG1-CB 4.24Š| ||
| 164 | I | 34.7 | Very low | 38.5 | Very low | 134 Ų | 134 | 138.2 Ų | 138.2 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | trans | 71.8 | 75.2 | -176.8 | -49 | 179 | 0 | 0 | 0 | 113.7 | ||||
| 165 | K | 38.8 | Very low | 38.1 | Very low | 154 Ų | 154 | 137.7 Ų | 137.7 | 67% | 0.67 | 76% | 0.759 | S | S | * | * | 85.7 | 134.9 | 81.4 | -171.2 | -171.6 | 178 | -147.5 | 0 | 112.8 | |||||
| 166 | P | 55.5 | Low | 37.8 | Very low | 115 Ų | 115 | 140.4 Ų | 140.4 | 75% | 0.747 | 76% | 0.762 | S | S | * | * | trans | -88.6 | 148.6 | 171.9 | 35.5 | -33.6 | 0 | 0 | 0 | 112 | ||||
| 167 | E | 36.8 | Very low | 38 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 67% | 0.668 | 75% | 0.752 | S | S | * | * | trans | -142 | 163.6 | 163.7 | 44.3 | -135.1 | 120 | 0 | 0 | 111.7 | ||||
| 168 | M | 52.3 | Low | 37.7 | Very low | 166 Ų | 166 | 137.9 Ų | 137.9 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -148.7 | 107.6 | -163.4 | 37.7 | 158.6 | 47.5 | 0 | 0 | 107.8 | ||||
| 169 | D | 40.4 | Very low | 37.2 | Very low | 152 Ų | 152 | 140.3 Ų | 140.3 | 81% | 0.813 | 75% | 0.752 | S | S | * | * | trans | -140.7 | 106.3 | 174.5 | -80.3 | -68.5 | 0 | 0 | 0 | 110.1 | ||||
| 170 | D | 37.1 | Very low | 36.9 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 12.9 | 165.9 | 138.7 | -74.7 | -71.5 | 0 | 0 | 0 | 126 | ||||
| 171 | D | 35.1 | Very low | 36.8 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 67% | 0.674 | 74% | 0.741 | S | S | * | * | trans | 88 | 96.9 | 144.7 | -78.9 | -14.3 | 0 | 0 | 0 | 123.4 | ||||
| 172 | L | 37.3 | Very low | 36.5 | Very low | 145 Ų | 145 | 139.5 Ų | 139.5 | 76% | 0.759 | 75% | 0.748 | S | S | * | * | 77.5 | 167.9 | 122.1 | -64.3 | 168.4 | 0 | 0 | 0 | 120.7 | |||||
| 173 | I | 31.6 | Very low | 36.3 | Very low | 165 Ų | 165 | 134.7 Ų | 134.7 | 85% | 0.846 | 74% | 0.739 | S | S | * | * | trans | 71.3 | 124.3 | 165.2 | -47.1 | -174.8 | 0 | 0 | 0 | 115.3 | ||||
| 174 | A | 33.6 | Very low | 36.3 | Very low | 79 Ų | 79 | 140 Ų | 140 | 65% | 0.653 | 75% | 0.75 | S | S | * | * | cis | -171.1 | 172 | -13.2 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 175 | E | 30.9 | Very low | 36.2 | Very low | 170 Ų | 170 | 139.9 Ų | 139.9 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 19.7 | 139.2 | 142.3 | -52.1 | -52 | 95.7 | 0 | 0 | 123 | ||||
| 176 | E | 32.6 | Very low | 35.7 | Very low | 165 Ų | 165 | 144.4 Ų | 144.4 | 77% | 0.771 | 77% | 0.768 | S | S | * | * | trans | -12.9 | 172.3 | 135.4 | -100.4 | -150.9 | 119.1 | 0 | 0 | 121.2 | ||||
| 177 | P | 50.4 | Low | 34.3 | Very low | 96 Ų | 96 | 142.8 Ų | 142.8 | 62% | 0.623 | 77% | 0.772 | S | S | * | * | cis | -128.6 | -163.5 | -2.3 | 42.3 | -24.3 | 0 | 0 | 0 | 112.3 | ||||
| 178 | V | 31.4 | Very low | 33.9 | Very low | 137 Ų | 137 | 140.4 Ų | 140.4 | 83% | 0.83 | 78% | 0.776 | S | S | * | * | -152.8 | 146.2 | 72.1 | -162.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 179 | E | 32.4 | Very low | 32.8 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 74% | 0.738 | 78% | 0.778 | S | S | * | * | trans | -74.3 | 151.5 | 176.9 | -59 | -174.4 | 112.5 | 0 | 0 | 115.7 | ||||
| 180 | M | 31.6 | Very low | 32.6 | Very low | 157 Ų | 157 | 142.5 Ų | 142.5 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | 179.6 | 142.3 | 116 | -146.7 | 96.4 | -59.3 | 0 | 0 | 107.8 | |||||
| 181 | G | 31.2 | Very low | 33 | Very low | 62 Ų | 62 | 140.8 Ų | 140.8 | 64% | 0.639 | 78% | 0.78 | S | S | * | * | cis | 158.3 | 153.5 | 0.7 | 0 | 0 | 0 | 0 | 0 | 106.5 | ||||
| 182 | N | 27.9 | Very low | 32.5 | Very low | 163 Ų | 163 | 140.8 Ų | 140.8 | 87% | 0.872 | 78% | 0.784 | S | S | * | * | cis | -150.3 | 162 | 5 | -63.2 | -45.3 | 0 | 0 | 0 | 107.6 | ||||
| 183 | G | 28.4 | Very low | 32.2 | Very low | 65 Ų | 65 | 140.2 Ų | 140.2 | 67% | 0.67 | 78% | 0.781 | S | S | * | * | cis | 151.9 | 145.2 | -8.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 184 | R | 32.9 | Very low | 32.2 | Very low | 245 Ų | 245 | 139.2 Ų | 139.2 | 93% | 0.925 | 77% | 0.773 | S | S | * | * | trans | 74.8 | 153.1 | 162.2 | -49.3 | -179 | 178.5 | -170 | -2 | 116.2 | ||||
| 185 | T | 31.1 | Very low | 32.1 | Very low | 131 Ų | 131 | 142.7 Ų | 142.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | cis | -146.8 | 165.9 | 10.8 | -25.1 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 186 | R | 29.3 | Very low | 32 | Very low | 249 Ų | 249 | 143.8 Ų | 143.8 | 94% | 0.94 | 78% | 0.777 | S | S | * | * | trans | -56.3 | 164 | 169.3 | -51.2 | 167.4 | 179.4 | 162.1 | -3.1 | 113.3 | ||||
| 187 | G | 26.1 | Very low | 32.2 | Very low | 80 Ų | 80 | 146.4 Ų | 146.4 | 83% | 0.825 | 78% | 0.78 | S | S | * | * | trans | 169.8 | 131.7 | 150.9 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 188 | A | 28.4 | Very low | 31.4 | Very low | 93 Ų | 93 | 146 Ų | 146 | 77% | 0.769 | 78% | 0.778 | S | S | * | * | trans | -89.3 | 166 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 189 | S | 29 | Very low | 31.2 | Very low | 122 Ų | 122 | 142.2 Ų | 142.2 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | 75.4 | 145.2 | 154.5 | -62 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 190 | R | 35.7 | Very low | 31.1 | Very low | 240 Ų | 240 | 144 Ų | 144 | 91% | 0.906 | 77% | 0.774 | S | S | * | * | trans | -54.5 | 162.3 | 156.4 | -79.2 | 174.6 | 161 | -176.1 | -6 | 111.1 | ||||
| 191 | P | 45.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 71% | 0.708 | 77% | 0.772 | S | S | * | * | cis | -150.2 | -166.1 | 35.7 | 42.7 | -21.2 | 0 | 0 | 0 | 117.2 | ||||
| 192 | T | 25.4 | Very low | 31 | Very low | 126 Ų | 126 | 146.4 Ų | 146.4 | 77% | 0.773 | 78% | 0.776 | S | S | * | * | trans | 70.7 | 142 | 145.5 | -64.8 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 193 | L | 30.7 | Very low | 31 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 70% | 0.696 | 77% | 0.77 | S | S | * | * | cis | -176.6 | 154.9 | -21.9 | -163 | 80 | 0 | 0 | 0 | 107.6 | ||||
| 194 | E | 30.7 | Very low | 31 | Very low | 143 Ų | 143 | 150.1 Ų | 150.1 | 67% | 0.668 | 78% | 0.778 | S | S | * | * | trans | 60.8 | 168.8 | 168.8 | -60.7 | -44.4 | 122.1 | 0 | 0 | 117.5 | ||||
| 195 | I | 32.6 | Very low | 31 | Very low | 153 Ų | 153 | 143.8 Ų | 143.8 | 79% | 0.785 | 77% | 0.771 | S | S | * | * | cis | -133.1 | 127.4 | 8 | -52.5 | 159.7 | 0 | 0 | 0 | 110.9 | ||||
| 196 | Y | 27.9 | Very low | 30.9 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 76% | 0.757 | 78% | 0.779 | S | S | * | * | 166.4 | 116.2 | 111.4 | -166 | -110.3 | 0 | 0 | 0 | 112.7 | P198 | Y196-P198 HydrophobicContact CE1-CG 3.95Š| |||
| 197 | R | 36.2 | Very low | 30.8 | Very low | 220 Ų | 220 | 138.2 Ų | 138.2 | 83% | 0.83 | 77% | 0.769 | S | S | * | * | trans | -154.9 | 122.8 | 164.2 | -171.5 | -124.5 | -96.8 | 133.6 | -2.2 | 111.9 | ||||
| 198 | P | 34.1 | Very low | 30.9 | Very low | 88 Ų | 88 | 139.2 Ų | 139.2 | 57% | 0.571 | 76% | 0.763 | S | S | * | * | trans | -90 | 134 | 146.2 | -5.1 | 25.1 | 0 | 0 | 0 | 108.4 | Y196 | Y196-P198 HydrophobicContact CE1-CG 3.95Š| ||
| 199 | G | 27.2 | Very low | 31.2 | Very low | 57 Ų | 57 | 141.9 Ų | 141.9 | 59% | 0.588 | 76% | 0.764 | S | S | * | * | cis | 86.3 | 125.1 | 27.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 200 | Q | 31 | Very low | 31.4 | Very low | 194 Ų | 194 | 143.4 Ų | 143.4 | 91% | 0.907 | 76% | 0.757 | S | S | * | * | cis | -144.2 | -164.4 | 9.7 | -54.7 | 176.4 | -4.5 | 0 | 0 | 107.6 | ||||
| 201 | S | 26.9 | Very low | 31.1 | Very low | 105 Ų | 105 | 137.9 Ų | 137.9 | 73% | 0.734 | 74% | 0.743 | S | S | * | * | cis | -150.9 | -175.2 | 0.5 | -163.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 202 | K | 33.9 | Very low | 30.3 | Very low | 165 Ų | 165 | 138.1 Ų | 138.1 | 72% | 0.717 | 75% | 0.746 | S | S | * | * | trans | -107.1 | 158.3 | -176.5 | -48.8 | 146.8 | -175 | 171 | 0 | 110.6 | ||||
| 203 | F | 28 | Very low | 30.8 | Very low | 170 Ų | 170 | 142.5 Ų | 142.5 | 75% | 0.746 | 75% | 0.748 | S | S | * | * | 151.2 | 153.8 | 115.1 | -84.8 | -61.6 | 0 | 0 | 0 | 116.5 | |||||
| 204 | T | 28 | Very low | 31.6 | Very low | 136 Ų | 136 | 141.4 Ų | 141.4 | 83% | 0.834 | 75% | 0.749 | S | S | * | * | trans | 65.6 | 138.9 | 151.3 | 43.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 205 | S | 33.4 | Very low | 32.8 | Very low | 113 Ų | 113 | 139.1 Ų | 139.1 | 79% | 0.79 | 75% | 0.747 | S | S | * | * | trans | -82.8 | 152.7 | 170.7 | -26.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 206 | V | 28.3 | Very low | 32.9 | Very low | 160 Ų | 160 | 139.9 Ų | 139.9 | 97% | 0.97 | 75% | 0.747 | S | S | * | * | trans | -157 | 173.8 | 143.7 | -105.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 207 | S | 26.4 | Very low | 33 | Very low | 103 Ų | 103 | 134.1 Ų | 134.1 | 72% | 0.72 | 75% | 0.747 | S | S | * | * | trans | -95.3 | 176.1 | -160.2 | -175.5 | 0 | 0 | 0 | 0 | 116 | ||||
| 208 | S | 29.3 | Very low | 32.9 | Very low | 101 Ų | 101 | 128.6 Ų | 128.6 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | 76.8 | 125.1 | 151.4 | -50.7 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 209 | L | 35.3 | Very low | 32.9 | Very low | 148 Ų | 148 | 129.6 Ų | 129.6 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | cis | -146.6 | 148.8 | 48.7 | -79.5 | 159.4 | 0 | 0 | 0 | 109.8 | ||||
| 210 | E | 31.6 | Very low | 33.2 | Very low | 154 Ų | 154 | 131.9 Ų | 131.9 | 72% | 0.72 | 76% | 0.758 | S | S | * | * | 56.8 | 138.4 | 77 | -78.9 | -139.5 | 116.8 | 0 | 0 | 115.3 | |||||
| 211 | M | 29.5 | Very low | 33.4 | Very low | 125 Ų | 125 | 129.1 Ų | 129.1 | 62% | 0.616 | 75% | 0.747 | S | S | * | * | cis | -163.1 | -176.3 | -6.2 | 174 | 49 | 85.8 | 0 | 0 | 109.8 | R213 | M211-R213 HydrophobicContact SD-CB 4.27Š| ||
| 212 | C | 30.7 | Very low | 33.7 | Very low | 113 Ų | 113 | 133 Ų | 133 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | 96.6 | 101.4 | 163.7 | -56.2 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 213 | R | 35.2 | Very low | 33.8 | Very low | 218 Ų | 218 | 131 Ų | 131 | 82% | 0.823 | 74% | 0.738 | S | S | * | * | cis | 45.3 | 161.6 | 22.8 | -104.8 | -171.5 | -173.9 | 167.7 | 3.6 | 114.3 | M211 | M211-R213 HydrophobicContact SD-CB 4.27Š| ||
| 214 | P | 47.8 | Very low | 34 | Very low | 110 Ų | 110 | 129.7 Ų | 129.7 | 71% | 0.714 | 74% | 0.735 | S | S | * | * | cis | -132.2 | -125.6 | -7.4 | 31.6 | -6.3 | 0 | 0 | 0 | 112.3 | ||||
| 215 | P | 56.4 | Low | 34 | Very low | 96 Ų | 96 | 130.3 Ų | 130.3 | 62% | 0.623 | 73% | 0.733 | S | S | * | * | -127.5 | -165 | -79.8 | 31.2 | -11.2 | 0 | 0 | 0 | 116.5 | |||||
| 216 | E | 33.1 | Very low | 33.8 | Very low | 168 Ų | 168 | 127.9 Ų | 127.9 | 79% | 0.785 | 73% | 0.726 | S | S | * | * | trans | 111 | 127.7 | 152 | -59.6 | -54 | 100.7 | 0 | 0 | 114.6 | ||||
| 217 | G | 30.9 | Very low | 34 | Very low | 73 Ų | 73 | 131.9 Ų | 131.9 | 75% | 0.753 | 72% | 0.723 | S | S | * | * | cis | 167.3 | 168.1 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 218 | S | 33.1 | Very low | 34.2 | Very low | 103 Ų | 103 | 132.3 Ų | 132.3 | 72% | 0.72 | 73% | 0.727 | S | S | * | * | cis | -170.1 | 146.5 | -9.7 | -174.5 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 219 | S | 33.9 | Very low | 34.4 | Very low | 109 Ų | 109 | 132.9 Ų | 132.9 | 76% | 0.762 | 73% | 0.73 | S | S | * | * | trans | 64.5 | 175.1 | 156.9 | 83.2 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 220 | S | 35 | Very low | 34.3 | Very low | 105 Ų | 105 | 135.9 Ų | 135.9 | 73% | 0.734 | 74% | 0.737 | S | S | * | * | cis | -170 | 172.2 | 0.8 | -123.7 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 221 | M | 33.7 | Very low | 34.3 | Very low | 137 Ų | 137 | 132.7 Ų | 132.7 | 68% | 0.675 | 74% | 0.737 | S | S | * | * | cis | -169.1 | 173.7 | -16 | -154.2 | -163.2 | 178.9 | 0 | 0 | 109.7 | ||||
| 222 | R | 34.3 | Very low | 34.6 | Very low | 185 Ų | 185 | 131.6 Ų | 131.6 | 70% | 0.698 | 74% | 0.742 | S | S | * | * | trans | 78 | 129.8 | 158.1 | -64.3 | -157.2 | -176 | -119.4 | 6.9 | 118.7 | ||||
| 223 | Q | 35 | Very low | 34.9 | Very low | 124 Ų | 124 | 137.1 Ų | 137.1 | 58% | 0.579 | 75% | 0.747 | S | S | * | * | 79.5 | 142.6 | 60.8 | -69.3 | 170.4 | -13.4 | 0 | 0 | 112.6 | |||||
| 224 | Q | 32.9 | Very low | 34.7 | Very low | 143 Ų | 143 | 133.5 Ų | 133.5 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | cis | -163.6 | 163.5 | 6.4 | -123.5 | 164.3 | -39.5 | 0 | 0 | 111.9 | ||||
| 225 | D | 28.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 131.7 Ų | 131.7 | 80% | 0.797 | 75% | 0.75 | S | S | * | * | trans | 46.4 | 153.7 | 151.8 | -53.4 | -42.5 | 0 | 0 | 0 | 122.7 | ||||
| 226 | G | 28.9 | Very low | 32.7 | Very low | 62 Ų | 62 | 134.8 Ų | 134.8 | 64% | 0.639 | 76% | 0.761 | S | S | * | * | cis | 166 | 152.2 | -9.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 227 | R | 33.2 | Very low | 32.5 | Very low | 243 Ų | 243 | 132.7 Ų | 132.7 | 92% | 0.917 | 77% | 0.765 | S | S | * | * | trans | 62.9 | 125.3 | 169.3 | -51.4 | 178.6 | -177.6 | -147.6 | -2.1 | 116.6 | ||||
| 228 | S | 29.6 | Very low | 32.5 | Very low | 113 Ų | 113 | 136.3 Ų | 136.3 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | 80.7 | 131.9 | 30.7 | -50.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 229 | S | 35 | Very low | 32.3 | Very low | 112 Ų | 112 | 137.6 Ų | 137.6 | 78% | 0.783 | 75% | 0.754 | S | S | * | * | cis | -172.9 | 145.4 | -9.7 | -91.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 230 | K | 33.2 | Very low | 32.1 | Very low | 211 Ų | 211 | 140.1 Ų | 140.1 | 92% | 0.917 | 75% | 0.754 | S | S | * | * | trans | -162.8 | 136.5 | 155.8 | -116.1 | 170.3 | -172.8 | 179.1 | 0 | 116.4 | ||||
| 231 | A | 31.4 | Very low | 31.9 | Very low | 87 Ų | 87 | 143.1 Ų | 143.1 | 72% | 0.719 | 76% | 0.757 | S | S | * | * | trans | 7.9 | 148.6 | 158.2 | 0 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 232 | S | 34.3 | Very low | 31.7 | Very low | 103 Ų | 103 | 144 Ų | 144 | 72% | 0.72 | 76% | 0.761 | S | S | * | * | cis | -157.8 | 152.6 | 36.1 | -61 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 233 | R | 37.6 | Very low | 31.6 | Very low | 229 Ų | 229 | 141.2 Ų | 141.2 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | 69.7 | 103.8 | 146.1 | -74.1 | 173.8 | -174.7 | -153.2 | -1.5 | 121.8 | ||||
| 234 | T | 31.9 | Very low | 32.7 | Very low | 141 Ų | 141 | 146.6 Ų | 146.6 | 87% | 0.865 | 78% | 0.784 | S | S | * | * | 47.9 | 132.5 | 126 | 55.1 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 235 | G | 29.9 | Very low | 33.1 | Very low | 72 Ų | 72 | 149.7 Ų | 149.7 | 74% | 0.742 | 80% | 0.796 | S | S | * | * | cis | -169.3 | 175.2 | 8.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 236 | L | 32.2 | Very low | 34.8 | Very low | 161 Ų | 161 | 153.8 Ų | 153.8 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -74.1 | 144.1 | -162.7 | -89.7 | 60.5 | 0 | 0 | 0 | 115.6 | ||||
| 237 | S | 28.8 | Very low | 35.2 | Very low | 124 Ų | 124 | 160.9 Ų | 160.9 | 87% | 0.867 | 81% | 0.813 | S | S | * | * | -139.5 | 128.3 | 128.8 | -172.9 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 238 | K | 30.4 | Very low | 35.2 | Very low | 149 Ų | 149 | 153.8 Ų | 153.8 | 65% | 0.648 | 81% | 0.806 | S | S | * | * | trans | -118.2 | 137.9 | -178 | -102 | -163.4 | 171.9 | -137.1 | 0 | 108.5 | ||||
| 239 | Q | 28.4 | Very low | 36.5 | Very low | 131 Ų | 131 | 153.7 Ų | 153.7 | 61% | 0.612 | 80% | 0.803 | S | S | * | * | 66.7 | 130.9 | 94.3 | -147.7 | 175 | -17.9 | 0 | 0 | 111 | |||||
| 240 | E | 30 | Very low | 36.3 | Very low | 161 Ų | 161 | 155.1 Ų | 155.1 | 75% | 0.752 | 81% | 0.807 | S | S | * | * | cis | -144.5 | 178.8 | 32.5 | -162.1 | 149 | 102.2 | 0 | 0 | 115.8 | ||||
| 241 | E | 32.1 | Very low | 36.2 | Very low | 169 Ų | 169 | 148.7 Ų | 148.7 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -49.7 | 167.4 | -171.3 | -161.8 | 157 | 114.7 | 0 | 0 | 120.3 | ||||
| 242 | M | 29.3 | Very low | 36.4 | Very low | 156 Ų | 156 | 150.1 Ų | 150.1 | 77% | 0.768 | 80% | 0.798 | S | S | * | * | trans | -74 | 149.3 | 176.5 | 49.7 | 169.7 | 159.2 | 0 | 0 | 115.1 | ||||
| 243 | S | 31.8 | Very low | 36.5 | Very low | 125 Ų | 125 | 151.3 Ų | 151.3 | 87% | 0.874 | 81% | 0.806 | S | S | * | * | trans | -151.3 | 138.3 | 143.5 | -97.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 244 | R | 58 | Low | 36.3 | Very low | 237 Ų | 237 | 146.8 Ų | 146.8 | 89% | 0.894 | 80% | 0.804 | S | S | * | * | trans | -141.5 | 116.6 | -177.1 | -71.4 | -174.3 | 174.9 | -171.2 | -0.7 | 112.2 | ||||
| 245 | K | 40.2 | Very low | 36.5 | Very low | 208 Ų | 208 | 146 Ų | 146 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -157.5 | 94 | 161.1 | -102.8 | 139 | -175.8 | 174 | 0 | 113.1 | ||||
| 246 | R | 64.9 | Low | 36.8 | Very low | 236 Ų | 236 | 153.4 Ų | 153.4 | 89% | 0.891 | 80% | 0.804 | S | S | * | * | trans | 6.3 | 139.4 | 154.2 | -45.9 | 178.3 | -173.1 | -155.1 | 1.3 | 119.5 | ||||
| 247 | K | 36.3 | Very low | 36.9 | Very low | 211 Ų | 211 | 151.8 Ų | 151.8 | 92% | 0.917 | 80% | 0.801 | S | S | * | * | -159.7 | 169.7 | 124.3 | -86.4 | 125.9 | -166.3 | -179.9 | 0 | 110.8 | |||||
| 248 | A | 34.8 | Very low | 37 | Very low | 93 Ų | 93 | 153 Ų | 153 | 77% | 0.769 | 80% | 0.797 | S | S | * | * | trans | -147.6 | -174.8 | 170.6 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 249 | P | 55.4 | Low | 37.2 | Very low | 112 Ų | 112 | 156.4 Ų | 156.4 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | cis | -137.5 | -157.2 | 5.5 | 32.5 | -6.5 | 0 | 0 | 0 | 113.7 | ||||
| 250 | V | 31.4 | Very low | 37.3 | Very low | 141 Ų | 141 | 153.6 Ų | 153.6 | 86% | 0.855 | 81% | 0.806 | S | S | * | * | trans | 72.6 | 150.2 | 165 | -178.9 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 251 | A | 30.6 | Very low | 37.7 | Very low | 76 Ų | 76 | 151.6 Ų | 151.6 | 63% | 0.628 | 80% | 0.8 | S | S | * | * | cis | -163.1 | 169.1 | -41.3 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 252 | S | 35.9 | Very low | 37.9 | Very low | 117 Ų | 117 | 151 Ų | 151 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | trans | 28.5 | 121.6 | 157 | 57.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 253 | S | 36.8 | Very low | 38.5 | Very low | 128 Ų | 128 | 152.8 Ų | 152.8 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | -149.2 | 162.5 | 141.6 | -162 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 254 | V | 33.1 | Very low | 38.7 | Very low | 135 Ų | 135 | 154.4 Ų | 154.4 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | trans | -93.2 | 161.3 | -168.5 | -169.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 255 | V | 36.7 | Very low | 37.7 | Very low | 125 Ų | 125 | 147.1 Ų | 147.1 | 76% | 0.758 | 79% | 0.793 | S | S | * | * | trans | -57.6 | 137.3 | 176.1 | 177.5 | 0 | 0 | 0 | 0 | 111.8 | V257 | V255-V257 HydrophobicContact CG1-CG2 4.48Š| ||
| 256 | R | 35.1 | Very low | 37.6 | Very low | 227 Ų | 227 | 143.6 Ų | 143.6 | 86% | 0.857 | 78% | 0.784 | S | S | * | * | trans | -132.7 | 124.4 | 152.5 | -77.9 | -174.5 | 174.9 | 173.1 | -3.1 | 108.6 | ||||
| 257 | V | 35.8 | Very low | 36.2 | Very low | 127 Ų | 127 | 140.1 Ų | 140.1 | 77% | 0.77 | 78% | 0.783 | S | S | * | * | trans | -136.3 | 105.3 | 160.1 | 177.6 | 0 | 0 | 0 | 0 | 105.6 | V255 | V255-V257 HydrophobicContact CG1-CG2 4.48Š| ||
| 258 | N | 30.2 | Very low | 36.6 | Very low | 150 Ų | 150 | 133.4 Ų | 133.4 | 80% | 0.802 | 77% | 0.767 | S | S | * | * | trans | -88.7 | 134.4 | 162.2 | -72.7 | 63.2 | 0 | 0 | 0 | 106.9 | ||||
| 259 | R | 34.3 | Very low | 36.9 | Very low | 219 Ų | 219 | 136.9 Ų | 136.9 | 83% | 0.826 | 77% | 0.767 | S | S | * | * | trans | -147.6 | 125.5 | 153.5 | -139.9 | -171.6 | 169 | 144.6 | 0.5 | 107.4 | D261 | R259-D261 IonicContact NE-OD2 3.79Š| ||
| 260 | A | 31.8 | Very low | 36.1 | Very low | 73 Ų | 73 | 137.8 Ų | 137.8 | 60% | 0.603 | 77% | 0.766 | S | S | * | * | trans | -74.3 | 175 | 154.3 | 0 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 261 | D | 37.4 | Very low | 36.6 | Very low | 119 Ų | 119 | 137.4 Ų | 137.4 | 64% | 0.636 | 76% | 0.759 | S | S | * | * | -172.3 | 108.4 | 103.8 | -73.1 | -26.5 | 0 | 0 | 0 | 105.8 | R259 | R259-D261 IonicContact NE-OD2 3.79Š| |||
| 262 | D | 35.5 | Very low | 37.2 | Very low | 155 Ų | 155 | 140.2 Ų | 140.2 | 83% | 0.829 | 76% | 0.764 | S | S | * | * | trans | 53.2 | 166.7 | 156.3 | -56.5 | -85.5 | 0 | 0 | 0 | 122.7 | ||||
| 263 | E | 42.3 | Very low | 37.5 | Very low | 195 Ų | 195 | 141.8 Ų | 141.8 | 91% | 0.911 | 76% | 0.763 | S | S | * | * | trans | -113.7 | 176.1 | -169.2 | -56.6 | 176.9 | 126.1 | 0 | 0 | 111.4 | ||||
| 264 | D | 35.8 | Very low | 37.7 | Very low | 158 Ų | 158 | 142.9 Ų | 142.9 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 131.7 | 147.2 | 134.4 | -153.4 | 21 | 0 | 0 | 0 | 118 | ||||
| 265 | S | 38.2 | Very low | 37.8 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 59% | 0.587 | 76% | 0.76 | S | S | * | * | trans | 64.9 | 99.5 | 162.6 | -148.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 266 | D | 38.4 | Very low | 37.9 | Very low | 135 Ų | 135 | 141.9 Ų | 141.9 | 72% | 0.722 | 76% | 0.756 | S | S | * | * | 52 | 163.1 | 112.2 | -33.2 | -44.1 | 0 | 0 | 0 | 124.9 | |||||
| 267 | D | 34 | Very low | 38.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 75% | 0.753 | S | S | * | * | trans | 64.8 | 143.8 | 168 | -95.6 | 20.8 | 0 | 0 | 0 | 118.5 | ||||
| 268 | A | 45.4 | Very low | 38.2 | Very low | 71 Ų | 71 | 139 Ų | 139 | 59% | 0.587 | 76% | 0.762 | S | S | * | * | cis | -162.1 | 157 | -8.8 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 269 | E | 40.4 | Very low | 38.4 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 77% | 0.771 | 75% | 0.753 | S | S | * | * | trans | 25.8 | 155.9 | 149.4 | -43.9 | -48.4 | 87.2 | 0 | 0 | 124.9 | ||||
| 270 | D | 38.5 | Very low | 38.6 | Very low | 132 Ų | 132 | 129.6 Ų | 129.6 | 71% | 0.706 | 75% | 0.751 | S | S | * | * | trans | 73.1 | 112.6 | 146.9 | -64.9 | -2.5 | 0 | 0 | 0 | 124.4 | ||||
| 271 | D | 43.2 | Very low | 39 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | 69.3 | 128.7 | 116.6 | -62.5 | -1.1 | 0 | 0 | 0 | 125.8 | |||||
| 272 | D | 42.8 | Very low | 39.4 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 72% | 0.717 | 78% | 0.775 | S | S | * | * | trans | 62.8 | 111.6 | 130.1 | -64 | -2.1 | 0 | 0 | 0 | 124.8 | ||||
| 273 | D | 42.1 | Very low | 39.5 | Very low | 151 Ų | 151 | 137.9 Ų | 137.9 | 81% | 0.807 | 78% | 0.777 | S | S | * | * | 72 | 156.9 | 124.2 | -85.4 | -29.1 | 0 | 0 | 0 | 126 | |||||
| 274 | D | 40 | Very low | 39.2 | Very low | 150 Ų | 150 | 134 Ų | 134 | 80% | 0.802 | 77% | 0.77 | S | S | * | * | trans | 75.3 | 111.4 | 156.3 | -83.4 | -28.5 | 0 | 0 | 0 | 125.2 | ||||
| 275 | D | 36.9 | Very low | 39.2 | Very low | 157 Ų | 157 | 131.9 Ų | 131.9 | 84% | 0.84 | 77% | 0.769 | S | S | * | * | trans | 77.7 | 163.4 | 130.6 | -156.8 | 37.5 | 0 | 0 | 0 | 123.6 | ||||
| 276 | A | 37.1 | Very low | 39.4 | Very low | 82 Ų | 82 | 138.9 Ų | 138.9 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | 71.7 | 80.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 277 | G | 41.4 | Very low | 39.3 | Very low | 77 Ų | 77 | 138.4 Ų | 138.4 | 79% | 0.794 | 78% | 0.784 | S | S | * | * | trans | -81.5 | 155.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 278 | F | 36.9 | Very low | 39.7 | Very low | 217 Ų | 217 | 136 Ų | 136 | 95% | 0.952 | 78% | 0.78 | S | S | * | * | trans | -151.4 | 146.6 | 168.1 | -141 | -95 | 0 | 0 | 0 | 113.5 | ||||
| 279 | G | 35.1 | Very low | 39.6 | Very low | 61 Ų | 61 | 139.4 Ų | 139.4 | 63% | 0.629 | 79% | 0.787 | S | S | * | * | trans | 71.6 | 80.2 | 144.3 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 280 | S | 36.8 | Very low | 39.8 | Very low | 110 Ų | 110 | 137 Ų | 137 | 77% | 0.769 | 79% | 0.786 | S | S | * | * | 35 | 106.1 | 128.3 | -171 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 281 | R | 41.2 | Very low | 40.3 | Very low | 233 Ų | 233 | 136.4 Ų | 136.4 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | -176.6 | 132.8 | 119.4 | -100.2 | 162.1 | -166.2 | -131 | 2.2 | 113.8 | L283 | R281-L283 PolarHBondContact O-N 2.94Š| |||
| 282 | S | 44.8 | Very low | 40.8 | Very low | 126 Ų | 126 | 139.2 Ų | 139.2 | 88% | 0.881 | 80% | 0.798 | S | S | * | * | trans | -76.7 | 105.8 | 177.9 | -45 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 283 | L | 38.2 | Very low | 41.3 | Very low | 163 Ų | 163 | 138.5 Ų | 138.5 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | trans | -93.5 | 94.4 | 171.2 | -65.6 | -179.4 | 0 | 0 | 0 | 110.9 | R281 S285 | R281-L283 PolarHBondContact O-N 2.94Å; L283-S285 PolarHBondContact O-N 3.47Å | ||
| 284 | S | 36.2 | Very low | 42.2 | Very low | 112 Ų | 112 | 140.4 Ų | 140.4 | 78% | 0.783 | 81% | 0.805 | S | S | * | * | trans | -87.5 | 103.4 | 175.4 | -168.9 | 0 | 0 | 0 | 0 | 110.8 | R286 | S284-R286 PolarHBondContact O-N 2.64Š| ||
| 285 | S | 35.1 | Very low | 43.3 | Very low | 115 Ų | 115 | 145.1 Ų | 145.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | trans | -62.6 | 102.1 | -175.2 | -68.3 | 0 | 0 | 0 | 0 | 113.6 | L283 V287 | L283-S285 PolarHBondContact O-N 3.47Å; S285-V287 PolarHBondContact O-N 3.45Å | ||
| 286 | R | 42.3 | Very low | 44.7 | Very low | 230 Ų | 230 | 146.5 Ų | 146.5 | 87% | 0.868 | 81% | 0.81 | S | S | * | * | trans | -86.4 | 94.2 | 171.1 | -81.5 | -173.7 | 164 | -177 | -3.7 | 111.7 | S284 S288 | S284-R286 PolarHBondContact O-N 2.64Å; R286-S288 PolarHBondContact O-N 3.41Å; R286-S288 PolarHBondContact O-OG 3.05Å | ||
| 287 | V | 37.6 | Very low | 46 | Very low | 126 Ų | 126 | 147 Ų | 147 | 76% | 0.764 | 81% | 0.807 | S | S | * | * | trans | -55.6 | 110.3 | 168.4 | 178.6 | 0 | 0 | 0 | 0 | 109.7 | S285 L289 | S285-V287 PolarHBondContact O-N 3.45Å; V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-L289 PolarHBondContact O-N 2.98Å | ||
| 288 | S | 42.5 | Very low | 47 | Very low | 112 Ų | 112 | 150.3 Ų | 150.3 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -89.4 | 92.1 | -178 | -68.5 | 0 | 0 | 0 | 0 | 110.4 | R286 | R286-S288 PolarHBondContact O-N 3.41Å; R286-S288 PolarHBondContact O-OG 3.05Å | ||
| 289 | L | 43.3 | Very low | 48.4 | Very low | 141 Ų | 141 | 144.8 Ų | 144.8 | 74% | 0.738 | 79% | 0.791 | S | S | * | * | trans | -67.2 | 133.3 | 174.7 | -63.4 | 178.4 | 0 | 0 | 0 | 110.7 | V287 | V287-L289 HydrophobicContact CG1-CD2 4.19Å; V287-L289 PolarHBondContact O-N 2.98Å | ||
| 290 | P | 43.4 | Very low | 50.2 | Low | 115 Ų | 115 | 145.5 Ų | 145.5 | 75% | 0.747 | 79% | 0.785 | S | S | * | * | trans | -62.6 | 139 | 173 | 26.2 | -33.6 | 0 | 0 | 0 | 110.5 | K292 | P290-K292 PolarHBondContact O-N 3.25Š| ||
| 291 | S | 49 | Very low | 51.8 | Low | 120 Ų | 120 | 145.4 Ų | 145.4 | 84% | 0.839 | 78% | 0.781 | S | S | * | * | trans | -65.7 | 101.9 | -174.3 | 38.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 292 | K | 53.4 | Low | 53.4 | Low | 192 Ų | 192 | 139.2 Ų | 139.2 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -54.5 | 129.2 | 171.8 | -76.4 | 170.2 | 177.8 | 165.1 | 0 | 109.2 | P290 E294 | P290-K292 PolarHBondContact O-N 3.25Å; K292-E294 PolarHBondContact O-N 2.95Å |
| 293 | P | 54.3 | Low | 54.9 | Low | 119 Ų | 119 | 140.9 Ų | 140.9 | 77% | 0.773 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -61.7 | 135.6 | -179.1 | 25.1 | -34 | 0 | 0 | 0 | 110.3 | R295 | P293-R295 PolarHBondContact O-N 2.91Š|
| 294 | E | 60.8 | Low | 56.9 | Low | 191 Ų | 191 | 137.2 Ų | 137.2 | 89% | 0.893 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 126.9 | -175.1 | -69.9 | -176.6 | 105.9 | 0 | 0 | 111.8 | K292 K296 | K292-E294 PolarHBondContact O-N 2.95Å; E294-K296 PolarHBondContact O-N 3.24Å |
| 295 | R | 62.2 | Low | 59.1 | Low | 248 Ų | 248 | 134.6 Ų | 134.6 | 94% | 0.936 | 74% | 0.735 | S | S | * | * | trans | -67.3 | 107.1 | 171.5 | -75.6 | -179.2 | 171.2 | 162.6 | -4.2 | 108.3 | P293 | P293-R295 PolarHBondContact O-N 2.91Š| ||
| 296 | K | 67.1 | Low | 61.5 | Low | 186 Ų | 186 | 134 Ų | 134 | 81% | 0.809 | 72% | 0.723 | S | S | * | * | trans | -50.1 | 133.8 | 174.7 | -63.8 | 173.4 | -176.4 | 171.7 | 0 | 109.4 | E294 T298 | E294-K296 PolarHBondContact O-N 3.24Å; K296-T298 PolarHBondContact O-N 2.69Å | ||
| 297 | P | 63.8 | Low | 63.8 | Low | 94 Ų | 94 | 129.8 Ų | 129.8 | 61% | 0.61 | 71% | 0.707 | S | S | * | * | trans | -59.6 | 124.9 | -175 | 22.3 | -33.2 | 0 | 0 | 0 | 111.2 | L299 | P297-L299 PolarHBondContact O-N 2.96Å; P297-L299 VanDerWaalsContact O-N 3.17Å | ||
| 298 | T | 62.3 | Low | 66.3 | Low | 146 Ų | 146 | 128.9 Ų | 128.9 | 90% | 0.896 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -65.4 | -17.8 | -173.2 | -36 | 0 | 0 | 0 | 0 | 113.6 | K296 | K296-T298 PolarHBondContact O-N 2.69Š|
| 299 | L | 67.7 | Low | 68.6 | Low | 101 Ų | 101 | 128.9 Ų | 128.9 | 53% | 0.529 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -83.3 | 137.3 | -177.9 | -68.7 | 171 | 0 | 0 | 0 | 111.9 | P297 Q304 | P297-L299 PolarHBondContact O-N 2.96Å; P297-L299 VanDerWaalsContact O-N 3.17Å; L299-Q304 HydrophobicContact CB-CG 4.36Å; L299-Q304 PolarHBondContact O-NE2 2.83Å |
| 300 | P | 72.8 | Confident | 70.9 | Confident | 76 Ų | 76 | 126 Ų | 126 | 49% | 0.494 | 67% | 0.673 | S | S | . | * | trans | -64.1 | 150.7 | 175.2 | 28.3 | -35.2 | 0 | 0 | 0 | 110.9 | A302 K303 | P300-A302 PolarHBondContact O-N 2.78Å; P300-K303 HydrophobicContact CG-CB 4.46Å; P300-K303 HydrophobicContact CG-CG 4.45Å; P300-K303 PolarHBondContact O-N 3.49Å | ||
| 301 | P | 70.8 | Confident | 73.2 | Confident | 107 Ų | 107 | 124.1 Ų | 124.1 | 70% | 0.695 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -55.2 | -26.6 | -173.7 | -29.6 | 36.3 | 0 | 0 | 0 | 115.8 | K303 Q304 | P301-K303 PolarHBondContact O-N 2.64Å; P301-Q304 PolarHBondContact O-N 2.69Å |
| 302 | A | 73.1 | Confident | 75.3 | Confident | 104 Ų | 104 | 124.3 Ų | 124.3 | 86% | 0.86 | 64% | 0.642 | S | S | * | * | G | 310 helix | trans | -71 | -12.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P300 | P300-A302 PolarHBondContact O-N 2.78Š|
| 303 | K | 77.3 | Confident | 77.2 | Confident | 161 Ų | 161 | 117.9 Ų | 117.9 | 70% | 0.7 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -111.4 | 4.2 | 173.4 | -70 | -165.8 | 173.5 | -168.6 | 0 | 113.1 | P300 P301 | P300-K303 HydrophobicContact CG-CB 4.46Å; P300-K303 HydrophobicContact CG-CG 4.45Å; P300-K303 PolarHBondContact O-N 3.49Å; P301-K303 PolarHBondContact O-N 2.64Å |
| 304 | Q | 80.4 | Confident | 79.1 | Confident | 86 Ų | 86 | 116.2 Ų | 116.2 | 40% | 0.402 | 61% | 0.608 | S | S | . | * | S | Bend | trans | -86.9 | 133.3 | 174.7 | -65.1 | -179.5 | 7.3 | 0 | 0 | 109.4 | L299 P301 | L299-Q304 HydrophobicContact CB-CG 4.36Å; L299-Q304 PolarHBondContact O-NE2 2.83Å; P301-Q304 PolarHBondContact O-N 2.69Å |
| 305 | A | 81.3 | Confident | 80.6 | Confident | 56 Ų | 56 | 109.5 Ų | 109.5 | 46% | 0.463 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -60.7 | 145.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | R307 L309 I310 | A305-R307 PolarHBondContact O-N 3Å; A305-L309 HydrophobicContact CB-CD2 4.49Å; A305-I310 HydrophobicContact CB-CD1 4.06Å; A305-I310 HydrophobicContact CB-CG1 3.79Å; A305-I310 WeakPolarHBondContact O-CD1 3.28Å |
| 306 | N | 86.6 | Confident | 82.1 | Confident | 103 Ų | 103 | 103 Ų | 103 | 55% | 0.551 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 132.7 | 177.3 | -175.4 | -35.5 | 0 | 0 | 0 | 109.5 | N308 L309 I310 | N306-N308 PolarHBondContact O-N 2.88Å; N306-N308 PolarHBondContact OD1-N 3.41Å; N306-N308 PolarHBondContact OD1-ND2 2.98Å; N306-L309 HydrophobicContact CB-CB 4.38Å; N306-L309 WeakPolarHBondContact O-CA 3.48Å; N306-L309 WeakPolarHBondContact O-CB 3.47Å; N306-L309 PolarHBondContact O-N 2.87Å; N306-I310 PolarHBondContact O-N 3.03Å |
| 307 | R | 89.7 | Confident | 83.2 | Confident | 142 Ų | 142 | 96.6 Ų | 96.6 | 54% | 0.536 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -50.6 | -34.1 | -179.6 | -180 | 174.3 | 171.7 | 175.1 | -4.5 | 112.9 | A305 I310 L311 | A305-R307 PolarHBondContact O-N 3Å; R307-I310 PolarHBondContact O-N 2.7Å; R307-L311 HydrophobicContact CG-CD1 3.96Å; R307-L311 HydrophobicContact CG-CG 4.34Å; R307-L311 WeakPolarHBondContact O-CB 3.5Å; R307-L311 VanDerWaalsContact O-CG 3.26Å; R307-L311 WeakPolarHBondContact O-CG 3.28Å; R307-L311 PolarHBondContact O-N 2.77Å |
| 308 | N | 90.1 | Very high | 84.4 | Confident | 107 Ų | 107 | 97.7 Ų | 97.7 | 57% | 0.572 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -69.7 | -34.5 | 177.1 | -58.4 | -79 | 0 | 0 | 0 | 112.8 | N306 K312 | N306-N308 PolarHBondContact O-N 2.88Å; N306-N308 PolarHBondContact OD1-N 3.41Å; N306-N308 PolarHBondContact OD1-ND2 2.98Å; N308-K312 WeakPolarHBondContact O-CB 3.46Å; N308-K312 PolarHBondContact O-N 3.47Å |
| 309 | L | 91.1 | Very high | 85.6 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 59% | 0.586 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -70.3 | -40.5 | 174.3 | -176.5 | 64.6 | 0 | 0 | 0 | 111 | A305 N306 K312 A313 | A305-L309 HydrophobicContact CB-CD2 4.49Å; N306-L309 HydrophobicContact CB-CB 4.38Å; N306-L309 WeakPolarHBondContact O-CA 3.48Å; N306-L309 WeakPolarHBondContact O-CB 3.47Å; N306-L309 PolarHBondContact O-N 2.87Å; L309-K312 PolarHBondContact O-N 3.07Å; L309-A313 WeakPolarHBondContact O-CB 3.18Å; L309-A313 PolarHBondContact O-N 3.46Å |
| 310 | I | 90.9 | Very high | 86.6 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 42% | 0.415 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.7 | -48.9 | 174.3 | -60.7 | 172.9 | 0 | 0 | 0 | 110.3 | A305 N306 R307 K312 A313 I314 | A305-I310 HydrophobicContact CB-CD1 4.06Å; A305-I310 HydrophobicContact CB-CG1 3.79Å; A305-I310 WeakPolarHBondContact O-CD1 3.28Å; N306-I310 PolarHBondContact O-N 3.03Å; R307-I310 PolarHBondContact O-N 2.7Å; I310-K312 PolarHBondContact O-N 2.78Å; I310-A313 PolarHBondContact O-N 2.77Å; I310-I314 HydrophobicContact CG2-CD1 3.87Å; I310-I314 VanDerWaalsContact O-CG1 3.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.45Å; I310-I314 PolarHBondContact O-N 2.9Å |
| 311 | L | 92.4 | Very high | 86.8 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 39% | 0.387 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 178.2 | -73.6 | 170.6 | 0 | 0 | 0 | 111.9 | R307 I314 S315 | R307-L311 HydrophobicContact CG-CD1 3.96Å; R307-L311 HydrophobicContact CG-CG 4.34Å; R307-L311 WeakPolarHBondContact O-CB 3.5Å; R307-L311 VanDerWaalsContact O-CG 3.26Å; R307-L311 WeakPolarHBondContact O-CG 3.28Å; R307-L311 PolarHBondContact O-N 2.77Å; L311-I314 PolarHBondContact O-N 2.81Å; L311-S315 PolarHBondContact O-N 2.73Å; L311-S315 PolarHBondContact O-OG 3.45Å |
| 312 | K | 94 | Very high | 87.2 | Confident | 125 Ų | 125 | 94.6 Ų | 94.6 | 54% | 0.543 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.2 | -43.4 | 175.7 | -172.8 | -179.6 | 176.8 | -162.7 | 0 | 111.9 | N308 L309 I310 I314 S315 E316 | N308-K312 WeakPolarHBondContact O-CB 3.46Å; N308-K312 PolarHBondContact O-N 3.47Å; L309-K312 PolarHBondContact O-N 3.07Å; I310-K312 PolarHBondContact O-N 2.78Å; K312-I314 VanDerWaalsContact C-N 3.27Å; K312-I314 PolarHBondContact O-N 3.06Å; K312-S315 PolarHBondContact O-N 2.8Å; K312-S315 PolarHBondContact O-OG 2.98Å; K312-E316 WeakPolarHBondContact CE-OE2 3.12Å; K312-E316 IonicContact NZ-OE2 3.4Å; K312-E316 WeakPolarHBondContact O-CB 3.34Å; K312-E316 PolarHBondContact O-N 3.12Å |
| 313 | A | 91.9 | Very high | 87.1 | Confident | 57 Ų | 57 | 97.9 Ų | 97.9 | 47% | 0.471 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.7 | -34.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L309 I310 A317 | L309-A313 WeakPolarHBondContact O-CB 3.18Å; L309-A313 PolarHBondContact O-N 3.46Å; I310-A313 PolarHBondContact O-N 2.77Å; A313-A317 VanDerWaalsContact O-CB 3.23Å; A313-A317 WeakPolarHBondContact O-CB 3.18Å; A313-A317 PolarHBondContact O-N 3.43Å |
| 314 | I | 94.4 | Very high | 86.3 | Confident | 83 Ų | 83 | 94.6 Ų | 94.6 | 43% | 0.426 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -46.6 | 174.6 | -68.6 | 165.9 | 0 | 0 | 0 | 111.1 | I310 L311 K312 A317 Q318 | I310-I314 HydrophobicContact CG2-CD1 3.87Å; I310-I314 VanDerWaalsContact O-CG1 3.3Å; I310-I314 WeakPolarHBondContact O-CG1 3.45Å; I310-I314 PolarHBondContact O-N 2.9Å; L311-I314 PolarHBondContact O-N 2.81Å; K312-I314 VanDerWaalsContact C-N 3.27Å; K312-I314 PolarHBondContact O-N 3.06Å; I314-A317 PolarHBondContact O-N 3.49Å; I314-Q318 WeakPolarHBondContact O-CB 3.43Å; I314-Q318 VanDerWaalsContact O-CG 3.29Å; I314-Q318 WeakPolarHBondContact O-CG 3.43Å; I314-Q318 PolarHBondContact O-N 3.3Å |
| 315 | S | 93.5 | Very high | 85.2 | Confident | 50 Ų | 50 | 95.7 Ų | 95.7 | 35% | 0.35 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.3 | -43.7 | 177.8 | 61.9 | 0 | 0 | 0 | 0 | 111.7 | L311 K312 A317 Q318 D319 | L311-S315 PolarHBondContact O-N 2.73Å; L311-S315 PolarHBondContact O-OG 3.45Å; K312-S315 PolarHBondContact O-N 2.8Å; K312-S315 PolarHBondContact O-OG 2.98Å; S315-A317 VanDerWaalsContact C-N 3.3Å; S315-A317 PolarHBondContact O-N 2.73Å; S315-Q318 CarbonylContact O-C 3.22Å; S315-Q318 PolarHBondContact O-N 3.37Å; S315-Q318 VanDerWaalsContact O-N 3.08Å; S315-D319 WeakPolarHBondContact O-CB 3.16Å; S315-D319 VanDerWaalsContact O-CG 3.25Å; S315-D319 PolarHBondContact O-N 3.33Å |
| 316 | E | 93.1 | Very high | 83.5 | Confident | 112 Ų | 112 | 97.3 Ų | 97.3 | 52% | 0.523 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.3 | -34.1 | 178.9 | -166.9 | 168.9 | 153.6 | 0 | 0 | 111.9 | K312 S320 | K312-E316 WeakPolarHBondContact CE-OE2 3.12Å; K312-E316 IonicContact NZ-OE2 3.4Å; K312-E316 WeakPolarHBondContact O-CB 3.34Å; K312-E316 PolarHBondContact O-N 3.12Å; E316-S320 VanDerWaalsContact O-CB 3.31Å; E316-S320 WeakPolarHBondContact O-CB 3.31Å; E316-S320 PolarHBondContact O-N 3.34Å |
| 317 | A | 89.1 | Confident | 81.4 | Confident | 51 Ų | 51 | 101.7 Ų | 101.7 | 42% | 0.421 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 169.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A313 I314 S315 S320 I321 | A313-A317 VanDerWaalsContact O-CB 3.23Å; A313-A317 WeakPolarHBondContact O-CB 3.18Å; A313-A317 PolarHBondContact O-N 3.43Å; I314-A317 PolarHBondContact O-N 3.49Å; S315-A317 VanDerWaalsContact C-N 3.3Å; S315-A317 PolarHBondContact O-N 2.73Å; A317-S320 PolarHBondContact O-N 3.23Å; A317-I321 WeakPolarHBondContact O-CD1 3.22Å; A317-I321 VanDerWaalsContact O-CG1 3.28Å; A317-I321 WeakPolarHBondContact O-CG1 3.5Å; A317-I321 PolarHBondContact O-N 3.25Å |
| 318 | Q | 89.7 | Confident | 79.3 | Confident | 117 Ų | 117 | 99.6 Ų | 99.6 | 55% | 0.547 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -42.5 | 176.6 | -74.7 | 172.6 | -23.9 | 0 | 0 | 111.8 | I314 S315 S320 I321 T322 | I314-Q318 WeakPolarHBondContact O-CB 3.43Å; I314-Q318 VanDerWaalsContact O-CG 3.29Å; I314-Q318 WeakPolarHBondContact O-CG 3.43Å; I314-Q318 PolarHBondContact O-N 3.3Å; S315-Q318 CarbonylContact O-C 3.22Å; S315-Q318 PolarHBondContact O-N 3.37Å; S315-Q318 VanDerWaalsContact O-N 3.08Å; Q318-S320 VanDerWaalsContact C-N 3.33Å; Q318-S320 PolarHBondContact O-N 2.92Å; Q318-I321 PolarHBondContact O-N 3.27Å; Q318-T322 WeakPolarHBondContact O-CG2 3.4Å; Q318-T322 PolarHBondContact O-N 3.39Å; Q318-T322 PolarHBondContact O-OG1 2.92Å |
| 319 | D | 88.8 | Confident | 77.1 | Confident | 101 Ų | 101 | 100.6 Ų | 100.6 | 54% | 0.54 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -64.4 | -36 | 174.5 | -67.1 | -28.6 | 0 | 0 | 0 | 111.8 | S315 T322 K323 | S315-D319 WeakPolarHBondContact O-CB 3.16Å; S315-D319 VanDerWaalsContact O-CG 3.25Å; S315-D319 PolarHBondContact O-N 3.33Å; D319-T322 WeakPolarHBondContact CA-OG1 3.5Å; D319-T322 PolarHBondContact O-OG1 3.33Å; D319-K323 WeakPolarHBondContact O-CB 3.43Å; D319-K323 PolarHBondContact O-N 3.08Å |
| 320 | S | 87.1 | Confident | 74.8 | Confident | 71 Ų | 71 | 102.2 Ų | 102.2 | 50% | 0.497 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -65.7 | -40.1 | 173.5 | -170.7 | 0 | 0 | 0 | 0 | 112.2 | E316 A317 Q318 T324 | E316-S320 VanDerWaalsContact O-CB 3.31Å; E316-S320 WeakPolarHBondContact O-CB 3.31Å; E316-S320 PolarHBondContact O-N 3.34Å; A317-S320 PolarHBondContact O-N 3.23Å; Q318-S320 VanDerWaalsContact C-N 3.33Å; Q318-S320 PolarHBondContact O-N 2.92Å; S320-T324 WeakPolarHBondContact O-CB 3.35Å; S320-T324 WeakPolarHBondContact O-CG2 3.28Å; S320-T324 PolarHBondContact O-N 3.17Å; S320-T324 VanDerWaalsContact O-N 3.15Å; S320-T324 PolarHBondContact O-OG1 3.15Å |
| 321 | I | 78.4 | Confident | 72.5 | Confident | 106 Ų | 106 | 106.2 Ų | 106.2 | 54% | 0.544 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -68.4 | -48.2 | 176.3 | -67.3 | 161.5 | 0 | 0 | 0 | 110.9 | A317 Q318 K323 T324 T325 | A317-I321 WeakPolarHBondContact O-CD1 3.22Å; A317-I321 VanDerWaalsContact O-CG1 3.28Å; A317-I321 WeakPolarHBondContact O-CG1 3.5Å; A317-I321 PolarHBondContact O-N 3.25Å; Q318-I321 PolarHBondContact O-N 3.27Å; I321-K323 VanDerWaalsContact C-N 3.28Å; I321-K323 PolarHBondContact O-N 3.2Å; I321-T324 PolarHBondContact O-N 2.75Å; I321-T324 PolarHBondContact O-OG1 3.18Å; I321-T325 WeakPolarHBondContact O-CB 3.43Å; I321-T325 WeakPolarHBondContact O-CG2 3.43Å; I321-T325 PolarHBondContact O-N 3.28Å |
| 322 | T | 77.4 | Confident | 70.1 | Confident | 88 Ų | 88 | 111.8 Ų | 111.8 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64 | -33.7 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 112.3 | Q318 D319 | Q318-T322 WeakPolarHBondContact O-CG2 3.4Å; Q318-T322 PolarHBondContact O-N 3.39Å; Q318-T322 PolarHBondContact O-OG1 2.92Å; D319-T322 WeakPolarHBondContact CA-OG1 3.5Å; D319-T322 PolarHBondContact O-OG1 3.33Å |
| 323 | K | 72.4 | Confident | 67.5 | Low | 172 Ų | 172 | 117.3 Ų | 117.3 | 75% | 0.748 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -78.6 | -14.6 | 177 | -168.7 | 171.2 | -177.7 | 177.9 | 0 | 114.6 | D319 I321 | D319-K323 WeakPolarHBondContact O-CB 3.43Å; D319-K323 PolarHBondContact O-N 3.08Å; I321-K323 VanDerWaalsContact C-N 3.28Å; I321-K323 PolarHBondContact O-N 3.2Å |
| 324 | T | 60.6 | Low | 64.8 | Low | 93 Ų | 93 | 123.3 Ų | 123.3 | 57% | 0.571 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -101.8 | -24.1 | 174.3 | 48.1 | 0 | 0 | 0 | 0 | 113 | S320 I321 S326 | S320-T324 WeakPolarHBondContact O-CB 3.35Å; S320-T324 WeakPolarHBondContact O-CG2 3.28Å; S320-T324 PolarHBondContact O-N 3.17Å; S320-T324 VanDerWaalsContact O-N 3.15Å; S320-T324 PolarHBondContact O-OG1 3.15Å; I321-T324 PolarHBondContact O-N 2.75Å; I321-T324 PolarHBondContact O-OG1 3.18Å; T324-S326 PolarHBondContact O-N 3.13Å |
| 325 | T | 55.9 | Low | 62.2 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 67% | 0.669 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -80.9 | 20 | 174.7 | -163.7 | 0 | 0 | 0 | 0 | 114.6 | I321 | I321-T325 WeakPolarHBondContact O-CB 3.43Å; I321-T325 WeakPolarHBondContact O-CG2 3.43Å; I321-T325 PolarHBondContact O-N 3.28Å |
| 326 | S | 46.1 | Very low | 59.7 | Low | 90 Ų | 90 | 129 Ų | 129 | 63% | 0.629 | 68% | 0.68 | S | S | * | * | trans | -112.3 | 45.7 | 179.5 | 72.7 | 0 | 0 | 0 | 0 | 112.9 | T324 | T324-S326 PolarHBondContact O-N 3.13Š| ||
| 327 | Y | 41.7 | Very low | 57.3 | Low | 194 Ų | 194 | 129 Ų | 129 | 76% | 0.761 | 69% | 0.689 | S | S | * | * | trans | -90.2 | 142.4 | 165.3 | -90.9 | -93.9 | 0 | 0 | 0 | 110.4 | ||||
| 328 | P | 46.8 | Very low | 54.8 | Low | 98 Ų | 98 | 133.5 Ų | 133.5 | 64% | 0.636 | 71% | 0.711 | S | S | * | * | trans | -66.7 | 151.4 | 168.9 | 30.4 | -34.8 | 0 | 0 | 0 | 110.5 | I330 | P328-I330 PolarHBondContact O-N 3.2Å; P328-I330 VanDerWaalsContact O-N 3.13Å | ||
| 329 | P | 43.5 | Very low | 52.3 | Low | 129 Ų | 129 | 131.9 Ų | 131.9 | 84% | 0.838 | 72% | 0.718 | S | S | * | * | trans | -66.4 | 113.6 | 179.1 | 27.1 | -33.9 | 0 | 0 | 0 | 110.8 | ||||
| 330 | I | 42.5 | Very low | 49.9 | Very low | 145 Ų | 145 | 133 Ų | 133 | 74% | 0.744 | 73% | 0.731 | S | S | * | * | trans | -81.7 | 130.2 | 174.4 | -63.1 | 175.1 | 0 | 0 | 0 | 108.6 | P328 Q332 | P328-I330 PolarHBondContact O-N 3.2Å; P328-I330 VanDerWaalsContact O-N 3.13Å; I330-Q332 PolarHBondContact O-N 3.49Å | ||
| 331 | L | 43.5 | Very low | 47.6 | Very low | 166 Ų | 166 | 140.6 Ų | 140.6 | 87% | 0.869 | 75% | 0.749 | S | S | * | * | trans | -60.2 | 118.8 | 179 | -85 | 166.4 | 0 | 0 | 0 | 111.6 | R333 | L331-R333 PolarHBondContact O-N 2.81Š| ||
| 332 | Q | 42.3 | Very low | 45.5 | Very low | 190 Ų | 190 | 142.1 Ų | 142.1 | 89% | 0.888 | 76% | 0.763 | S | S | * | * | trans | -72 | 111 | 178.4 | -174.5 | 173.3 | -2.9 | 0 | 0 | 110.1 | I330 | I330-Q332 PolarHBondContact O-N 3.49Š| ||
| 333 | R | 38.2 | Very low | 43.7 | Very low | 241 Ų | 241 | 149.6 Ų | 149.6 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -72.7 | 134.6 | 174.7 | -86.8 | -171.9 | 166.2 | -173.1 | -4.7 | 111.2 | L331 | L331-R333 PolarHBondContact O-N 2.81Š| ||
| 334 | Q | 36.3 | Very low | 42.1 | Very low | 183 Ų | 183 | 149.6 Ų | 149.6 | 86% | 0.855 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 138.3 | -177.9 | -172.1 | 175.4 | 6.5 | 0 | 0 | 111.5 | ||||
| 335 | T | 40 | Very low | 40.9 | Very low | 131 Ų | 131 | 149.9 Ų | 149.9 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -109.1 | 148.3 | 165 | -172.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 336 | V | 40.6 | Very low | 40.4 | Very low | 122 Ų | 122 | 148.5 Ų | 148.5 | 74% | 0.739 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 124.8 | -163.9 | 178.8 | 0 | 0 | 0 | 0 | 111.3 | ||
| 337 | P | 42.3 | Very low | 40.7 | Very low | 112 Ų | 112 | 149.5 Ų | 149.5 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 139.2 | 166.6 | -10.9 | 27.6 | 0 | 0 | 0 | 111.2 | ||
| 338 | V | 37.5 | Very low | 41.4 | Very low | 146 Ų | 146 | 147.8 Ų | 147.8 | 89% | 0.885 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 130.9 | 169.9 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | ||
| 339 | A | 36.9 | Very low | 41.8 | Very low | 82 Ų | 82 | 150.5 Ų | 150.5 | 68% | 0.678 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 143.7 | -179.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 340 | P | 37.7 | Very low | 42 | Very low | 126 Ų | 126 | 151.6 Ų | 151.6 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 163.7 | 161.9 | 32.3 | -33.4 | 0 | 0 | 0 | 111.2 | ||
| 341 | R | 38.9 | Very low | 42.7 | Very low | 230 Ų | 230 | 149 Ų | 149 | 87% | 0.868 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -96.3 | 165 | -166 | -59.2 | 172.8 | 85.5 | 119.4 | -3.8 | 114.1 | ||
| 342 | T | 35.3 | Very low | 43.4 | Very low | 138 Ų | 138 | 144.1 Ų | 144.1 | 85% | 0.847 | 78% | 0.776 | S | S | * | * | trans | 86.7 | 145.5 | 160.7 | 77.8 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 343 | R | 38.9 | Very low | 43.7 | Very low | 245 Ų | 245 | 138.4 Ų | 138.4 | 93% | 0.925 | 76% | 0.761 | S | S | * | * | cis | -137.5 | 164.3 | -1 | -161.6 | 177.4 | 178 | -167.4 | -0.5 | 110 | ||||
| 344 | L | 37.9 | Very low | 44.6 | Very low | 172 Ų | 172 | 132.7 Ų | 132.7 | 90% | 0.901 | 75% | 0.747 | S | S | * | * | trans | -73.9 | 143.1 | -174.5 | -62.6 | 168.9 | 0 | 0 | 0 | 114 | ||||
| 345 | A | 36.1 | Very low | 45.8 | Very low | 99 Ų | 99 | 130.3 Ų | 130.3 | 82% | 0.818 | 74% | 0.736 | S | S | * | * | trans | -108 | 175.9 | 151.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 346 | S | 45 | Very low | 46.6 | Very low | 80 Ų | 80 | 131 Ų | 131 | 56% | 0.559 | 73% | 0.734 | S | S | * | * | trans | -71.5 | 154.1 | -154.8 | 54.3 | 0 | 0 | 0 | 0 | 116.6 | E348 | S346-E348 VanDerWaalsContact C-N 3.32Å; S346-E348 PolarHBondContact O-N 3.03Å | ||
| 347 | S | 52.3 | Low | 46.9 | Very low | 110 Ų | 110 | 133.2 Ų | 133.2 | 77% | 0.769 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -88.2 | 18 | -173.2 | -170.2 | 0 | 0 | 0 | 0 | 114.6 | T351 | S347-T351 PolarHBondContact O-OG1 3.01Š|
| 348 | E | 57.2 | Low | 47.7 | Very low | 158 Ų | 158 | 134.7 Ų | 134.7 | 74% | 0.738 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -110.4 | -40.6 | -167.6 | -114.9 | 164.1 | 140.1 | 0 | 0 | 113.7 | S346 M350 T351 | S346-E348 VanDerWaalsContact C-N 3.32Å; S346-E348 PolarHBondContact O-N 3.03Å; E348-M350 PolarHBondContact O-N 3.45Å; E348-T351 PolarHBondContact O-N 3.21Å |
| 349 | E | 55.7 | Low | 48.7 | Very low | 155 Ų | 155 | 134.6 Ų | 134.6 | 72% | 0.724 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -71.3 | -34.2 | -175.5 | -60.5 | -177.4 | 116.3 | 0 | 0 | 113 | T351 A352 A353 | E349-T351 PolarHBondContact O-N 3.4Å; E349-A352 PolarHBondContact O-N 3.34Å; E349-A353 PolarHBondContact O-N 2.9Å |
| 350 | M | 46.5 | Very low | 49.2 | Very low | 153 Ų | 153 | 137.7 Ų | 137.7 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -67.3 | -27.3 | -179.4 | -156.7 | 180 | -58.6 | 0 | 0 | 112.5 | E348 | E348-M350 PolarHBondContact O-N 3.45Å |
| 351 | T | 57.4 | Low | 49.4 | Very low | 90 Ų | 90 | 140 Ų | 140 | 55% | 0.552 | 73% | 0.734 | S | S | * | * | H | α-helix | trans | -74.8 | -37.8 | 175.9 | -38.8 | 0 | 0 | 0 | 0 | 111.1 | S347 E348 E349 L354 | S347-T351 PolarHBondContact O-OG1 3.01Å; E348-T351 PolarHBondContact O-N 3.21Å; E349-T351 PolarHBondContact O-N 3.4Å; T351-L354 PolarHBondContact O-N 3.03Å |
| 352 | A | 57.5 | Low | 49.3 | Very low | 64 Ų | 64 | 134.3 Ų | 134.3 | 53% | 0.529 | 73% | 0.73 | S | S | . | * | H | α-helix | trans | -65.4 | -40.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | E349 L354 Q355 | E349-A352 PolarHBondContact O-N 3.34Å; A352-L354 VanDerWaalsContact C-N 3.3Å; A352-L354 PolarHBondContact O-N 3.32Å; A352-Q355 PolarHBondContact O-N 3.5Å |
| 353 | A | 50 | Low | 49.3 | Very low | 70 Ų | 70 | 136.4 Ų | 136.4 | 58% | 0.579 | 74% | 0.735 | S | S | * | * | H | α-helix | trans | -61.4 | -34.4 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | E349 | E349-A353 PolarHBondContact O-N 2.9Å |
| 354 | L | 56.7 | Low | 49.3 | Very low | 120 Ų | 120 | 129.4 Ų | 129.4 | 63% | 0.628 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -80.5 | -18.6 | -180 | -69.9 | 170.3 | 0 | 0 | 0 | 113.8 | T351 A352 Q358 | T351-L354 PolarHBondContact O-N 3.03Å; A352-L354 VanDerWaalsContact C-N 3.3Å; A352-L354 PolarHBondContact O-N 3.32Å; L354-Q358 PolarHBondContact O-NE2 2.97Å; L354-Q358 VanDerWaalsContact O-NE2 3.07Å |
| 355 | Q | 60.3 | Low | 49.3 | Very low | 133 Ų | 133 | 127.5 Ų | 127.5 | 62% | 0.621 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -79.5 | -36.9 | 179.5 | -157.7 | 73.5 | 17.1 | 0 | 0 | 111.9 | A352 M357 Q358 | A352-Q355 PolarHBondContact O-N 3.5Å; Q355-M357 PolarHBondContact O-N 3.11Å; Q355-Q358 PolarHBondContact O-N 3.45Å |
| 356 | L | 57.6 | Low | 49.2 | Very low | 145 Ų | 145 | 134.5 Ų | 134.5 | 76% | 0.759 | 73% | 0.733 | S | S | * | * | H | α-helix | trans | -73.6 | -28.6 | -167.2 | -168.8 | 59.7 | 0 | 0 | 0 | 114.4 | ||
| 357 | M | 47.9 | Very low | 48.4 | Very low | 169 Ų | 169 | 135 Ų | 135 | 83% | 0.833 | 74% | 0.741 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -8.7 | 178.7 | -72.2 | -163.2 | 72.5 | 0 | 0 | 115 | Q355 N359 | Q355-M357 PolarHBondContact O-N 3.11Å; M357-N359 PolarHBondContact O-N 3.11Å |
| 358 | Q | 58.3 | Low | 47.4 | Very low | 144 Ų | 144 | 138 Ų | 138 | 67% | 0.673 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -77 | -11.7 | 175.7 | -67.6 | -175.8 | 42.5 | 0 | 0 | 112.9 | L354 Q355 L360 | L354-Q358 PolarHBondContact O-NE2 2.97Å; L354-Q358 VanDerWaalsContact O-NE2 3.07Å; Q355-Q358 PolarHBondContact O-N 3.45Å; Q358-L360 PolarHBondContact O-N 3.2Å |
| 359 | N | 57.7 | Low | 46.2 | Very low | 144 Ų | 144 | 134.8 Ų | 134.8 | 77% | 0.77 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | 25.5 | -166.3 | -154.1 | 28.4 | 0 | 0 | 0 | 115.3 | M357 | M357-N359 PolarHBondContact O-N 3.11Š|
| 360 | L | 48.3 | Very low | 44.9 | Very low | 147 Ų | 147 | 138.5 Ų | 138.5 | 77% | 0.77 | 75% | 0.753 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.5 | -4.9 | -177.5 | -142.4 | 74.6 | 0 | 0 | 0 | 116.9 | Q358 | Q358-L360 PolarHBondContact O-N 3.2Š|
| 361 | H | 42.8 | Very low | 44 | Very low | 174 Ų | 174 | 135.8 Ų | 135.8 | 81% | 0.806 | 76% | 0.755 | S | S | * | * | S | Bend | trans | -129.2 | 38.4 | -176.3 | -65.7 | 132.7 | 0 | 0 | 0 | 114 | ||
| 362 | S | 36.8 | Very low | 42.6 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -145.2 | 46.9 | 175.1 | -74.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 363 | L | 34.7 | Very low | 41.1 | Very low | 181 Ų | 181 | 137.4 Ų | 137.4 | 95% | 0.948 | 79% | 0.785 | S | S | * | * | trans | -134.2 | 118.7 | 156.8 | -75.7 | 179.6 | 0 | 0 | 0 | 109.9 | ||||
| 364 | A | 38 | Very low | 40.1 | Very low | 99 Ų | 99 | 141.9 Ų | 141.9 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | trans | -112.8 | 141.4 | 168.1 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 365 | P | 38.2 | Very low | 38.7 | Very low | 131 Ų | 131 | 144.3 Ų | 144.3 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -102.9 | 137.4 | 160.8 | 33.9 | -27.1 | 0 | 0 | 0 | 111.1 | ||||
| 366 | R | 33.9 | Very low | 37.9 | Very low | 247 Ų | 247 | 143.3 Ų | 143.3 | 93% | 0.932 | 81% | 0.812 | S | S | * | * | trans | -132.3 | 116.4 | 166.9 | 176.1 | -176.5 | 172.9 | 169.8 | -0.3 | 109.2 | ||||
| 367 | A | 29.2 | Very low | 36.6 | Very low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 81% | 0.813 | S | S | * | * | trans | -164.6 | 154.6 | 167.5 | 0 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 368 | E | 31.3 | Very low | 35.9 | Very low | 173 Ų | 173 | 137.4 Ų | 137.4 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | cis | -154.7 | 173.5 | -19.4 | -106.1 | -69.9 | 97.5 | 0 | 0 | 105.2 | ||||
| 369 | A | 31.3 | Very low | 34.7 | Very low | 92 Ų | 92 | 141 Ų | 141 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -92.1 | 139.2 | -171.2 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 370 | Y | 28.7 | Very low | 33.5 | Very low | 233 Ų | 233 | 139.7 Ų | 139.7 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -152.5 | 166.4 | 154.1 | 44.8 | -92.4 | 0 | 0 | 0 | 110.7 | ||||
| 371 | A | 27.8 | Very low | 32.8 | Very low | 96 Ų | 96 | 138.1 Ų | 138.1 | 79% | 0.793 | 81% | 0.807 | S | S | * | * | trans | -132.6 | 169 | -156.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 372 | A | 26.8 | Very low | 32.3 | Very low | 111 Ų | 111 | 136.2 Ų | 136.2 | 92% | 0.917 | 81% | 0.808 | S | S | * | * | trans | 68.4 | 151 | 171.1 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 373 | G | 27.6 | Very low | 32 | Very low | 76 Ų | 76 | 142.6 Ų | 142.6 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 141.7 | 66.2 | 174 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 374 | D | 27.5 | Very low | 31.7 | Very low | 164 Ų | 164 | 138.9 Ų | 138.9 | 88% | 0.877 | 80% | 0.804 | S | S | * | * | trans | 50.4 | 166.3 | 143.9 | -112.4 | -58.6 | 0 | 0 | 0 | 125.4 | ||||
| 375 | Q | 27.3 | Very low | 31.4 | Very low | 171 Ų | 171 | 141.8 Ų | 141.8 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -98.9 | -172.1 | 166.5 | -75.9 | -167.3 | 87.4 | 0 | 0 | 109.2 | ||||
| 376 | P | 43.1 | Very low | 31 | Very low | 112 Ų | 112 | 139.8 Ų | 139.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | cis | -138.8 | 175.9 | 2.2 | 43.6 | -26.4 | 0 | 0 | 0 | 117.3 | ||||
| 377 | A | 30.5 | Very low | 30.7 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | 67.7 | 158.8 | 154 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 378 | S | 33.1 | Very low | 30.7 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 80% | 0.796 | S | S | * | * | cis | -152.5 | 140.1 | 1.3 | -152 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 379 | R | 34.8 | Very low | 30.4 | Very low | 220 Ų | 220 | 136.7 Ų | 136.7 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | trans | 46 | 135.7 | 148.3 | -60.4 | 167.6 | 73.2 | 160.1 | 2.5 | 118.6 | ||||
| 380 | T | 32.4 | Very low | 30.2 | Very low | 116 Ų | 116 | 140 Ų | 140 | 71% | 0.712 | 79% | 0.786 | S | S | * | * | cis | -168.7 | 157.3 | 44.6 | -26.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 381 | T | 32.4 | Very low | 30.3 | Very low | 115 Ų | 115 | 136.6 Ų | 136.6 | 71% | 0.706 | 78% | 0.783 | S | S | * | * | trans | 88.8 | 114.2 | 146.9 | -48.2 | 0 | 0 | 0 | 0 | 121 | ||||
| 382 | T | 32.8 | Very low | 30.2 | Very low | 134 Ų | 134 | 139.6 Ų | 139.6 | 82% | 0.822 | 79% | 0.786 | S | S | * | * | trans | 57.2 | 85.4 | 157 | 57.8 | 0 | 0 | 0 | 0 | 121.9 | ||||
| 383 | R | 31.5 | Very low | 30.1 | Very low | 245 Ų | 245 | 137 Ų | 137 | 93% | 0.925 | 77% | 0.769 | S | S | * | * | trans | -92.9 | 172.9 | 130.8 | -126.7 | 174.8 | 175.8 | 175 | -1.9 | 107.3 | ||||
| 384 | S | 27.7 | Very low | 30 | Very low | 103 Ų | 103 | 138.4 Ų | 138.4 | 72% | 0.72 | 77% | 0.767 | S | S | * | * | cis | -152.2 | 169.3 | 11.4 | -167.8 | 0 | 0 | 0 | 0 | 112 | ||||
| 385 | L | 32.5 | Very low | 29.9 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 76% | 0.764 | S | S | * | * | trans | -88.3 | 169.4 | 168.3 | -64.3 | 168.6 | 0 | 0 | 0 | 112.3 | ||||
| 386 | A | 27.9 | Very low | 29.9 | Very low | 88 Ų | 88 | 133.2 Ų | 133.2 | 73% | 0.727 | 76% | 0.755 | S | S | * | * | trans | 106.2 | 118.8 | 136.5 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 387 | S | 28.3 | Very low | 29.2 | Very low | 113 Ų | 113 | 138.1 Ų | 138.1 | 79% | 0.79 | 76% | 0.759 | S | S | * | * | 87.3 | 125.3 | 128.7 | -69.6 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 388 | R | 29.6 | Very low | 29.2 | Very low | 216 Ų | 216 | 139.4 Ų | 139.4 | 82% | 0.815 | 75% | 0.749 | S | S | * | * | trans | 88.1 | 120.8 | 137.9 | -83.4 | -169 | 143.5 | -150.5 | -6.1 | 122 | ||||
| 389 | L | 25.9 | Very low | 28.9 | Very low | 116 Ų | 116 | 141 Ų | 141 | 61% | 0.607 | 75% | 0.746 | S | S | * | * | trans | 76.4 | 135.6 | 131.6 | -68.3 | 174.1 | 0 | 0 | 0 | 121.7 | ||||
| 390 | Q | 26.1 | Very low | 28.6 | Very low | 162 Ų | 162 | 142.2 Ų | 142.2 | 76% | 0.757 | 75% | 0.751 | S | S | * | * | trans | 69.7 | 127.1 | 147.3 | -72.6 | 171.6 | -20.7 | 0 | 0 | 120.5 | ||||
| 391 | L | 31.7 | Very low | 28.4 | Very low | 160 Ų | 160 | 141.4 Ų | 141.4 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | 13 | 125.2 | 127.3 | -54.4 | 165.2 | 0 | 0 | 0 | 114.8 | |||||
| 392 | D | 24.2 | Very low | 28.3 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 74% | 0.744 | S | S | * | * | -164.8 | -163.6 | 65.9 | -161.3 | -100.1 | 0 | 0 | 0 | 111.2 | |||||
| 393 | G | 25.3 | Very low | 28 | Very low | 56 Ų | 56 | 142.7 Ų | 142.7 | 58% | 0.577 | 74% | 0.739 | S | S | * | * | trans | 103.4 | 96.7 | 151.6 | 0 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 394 | S | 25.7 | Very low | 28.1 | Very low | 106 Ų | 106 | 135.9 Ų | 135.9 | 74% | 0.741 | 73% | 0.734 | S | S | * | * | -6.6 | 152.9 | 122.5 | 61 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 395 | D | 25.6 | Very low | 28.3 | Very low | 152 Ų | 152 | 139.8 Ų | 139.8 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | cis | -167.2 | 171 | 8.9 | -136.6 | -53.2 | 0 | 0 | 0 | 114.7 | ||||
| 396 | A | 28.1 | Very low | 28.6 | Very low | 74 Ų | 74 | 135.8 Ų | 135.8 | 61% | 0.612 | 73% | 0.731 | S | S | * | * | trans | 71.6 | 154.5 | 139 | 0 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 397 | R | 28 | Very low | 29.6 | Very low | 214 Ų | 214 | 137.2 Ų | 137.2 | 81% | 0.808 | 73% | 0.733 | S | S | * | * | trans | 76.2 | 132.4 | 163.1 | -59.5 | -174.8 | 77.6 | 149.6 | 1.8 | 117 | ||||
| 398 | Q | 29 | Very low | 29.9 | Very low | 123 Ų | 123 | 136.9 Ų | 136.9 | 58% | 0.575 | 74% | 0.737 | S | S | * | * | cis | -160.8 | 162.5 | -6.6 | -135.9 | 168.5 | -18.9 | 0 | 0 | 113.9 | ||||
| 399 | Q | 28.3 | Very low | 29.9 | Very low | 129 Ų | 129 | 130.2 Ų | 130.2 | 60% | 0.603 | 74% | 0.736 | S | S | * | * | trans | 40.9 | 128.7 | 150 | -85.8 | 162.3 | -64.5 | 0 | 0 | 121.3 | E401 | Q399-E401 PolarHBondContact NE2-OE2 2.86Š| ||
| 400 | R | 28.7 | Very low | 30 | Very low | 245 Ų | 245 | 131.4 Ų | 131.4 | 93% | 0.925 | 75% | 0.752 | S | S | * | * | -136.2 | 143.1 | 124.5 | -173.2 | 172.3 | -77.3 | -109.5 | 3.2 | 109.6 | |||||
| 401 | E | 27.4 | Very low | 30.3 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 46% | 0.458 | 75% | 0.754 | S | S | . | * | trans | -130.1 | 139.5 | -171.4 | -115.3 | 171.9 | 112.3 | 0 | 0 | 109.1 | Q399 | Q399-E401 PolarHBondContact NE2-OE2 2.86Š| ||
| 402 | Y | 30.1 | Very low | 31.4 | Very low | 208 Ų | 208 | 128.6 Ų | 128.6 | 82% | 0.816 | 74% | 0.743 | S | S | * | * | trans | 57.7 | 155.9 | 171.8 | -40.7 | -67.4 | 0 | 0 | 0 | 118.3 | ||||
| 403 | G | 27.7 | Very low | 32 | Very low | 69 Ų | 69 | 129.4 Ų | 129.4 | 71% | 0.711 | 74% | 0.739 | S | S | * | * | cis | 158.2 | 123 | -15.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 404 | A | 33.3 | Very low | 32.4 | Very low | 101 Ų | 101 | 131.5 Ų | 131.5 | 84% | 0.835 | 75% | 0.745 | S | S | * | * | trans | 62.1 | 170.1 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 405 | E | 31.3 | Very low | 32.6 | Very low | 185 Ų | 185 | 132 Ų | 132 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -137 | 174 | 10.2 | -88.4 | -160.5 | 106.5 | 0 | 0 | 110.1 | ||||
| 406 | A | 39.5 | Very low | 33.2 | Very low | 76 Ų | 76 | 131.4 Ų | 131.4 | 63% | 0.628 | 75% | 0.745 | S | S | * | * | cis | 165.6 | -177.5 | -18.6 | 0 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 407 | P | 48.7 | Very low | 33.5 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | cis | -139.9 | 174 | 3.7 | 43.2 | -24.8 | 0 | 0 | 0 | 118.8 | ||||
| 408 | A | 33.3 | Very low | 34 | Very low | 106 Ų | 106 | 132.2 Ų | 132.2 | 88% | 0.876 | 74% | 0.743 | S | S | * | * | trans | 73.4 | 131.6 | 150.5 | 0 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 409 | G | 30.6 | Very low | 34.5 | Very low | 76 Ų | 76 | 131.5 Ų | 131.5 | 78% | 0.784 | 75% | 0.752 | S | S | * | * | trans | 175.8 | 1.4 | 171.1 | 0 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 410 | C | 27.7 | Very low | 34.8 | Very low | 142 Ų | 142 | 133.7 Ų | 133.7 | 96% | 0.959 | 76% | 0.76 | S | S | * | * | trans | 73 | 135.4 | 172.6 | -70.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 411 | E | 32.5 | Very low | 35.1 | Very low | 170 Ų | 170 | 129.1 Ų | 129.1 | 79% | 0.794 | 75% | 0.752 | S | S | * | * | trans | -87.7 | -170.6 | 177.1 | -95.3 | -73.3 | 107.6 | 0 | 0 | 113.2 | ||||
| 412 | P | 55.4 | Low | 35.3 | Very low | 93 Ų | 93 | 133 Ų | 133 | 60% | 0.604 | 77% | 0.772 | S | S | * | * | cis | -140 | -176.4 | -3.4 | 26.7 | -1.2 | 0 | 0 | 0 | 118.7 | ||||
| 413 | K | 35.8 | Very low | 35.5 | Very low | 177 Ų | 177 | 128 Ų | 128 | 77% | 0.77 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 76.9 | 144.7 | -84.3 | 159.4 | -171.4 | 177.5 | 0 | 122.9 | ||||
| 414 | S | 33.8 | Very low | 36.1 | Very low | 100 Ų | 100 | 136 Ų | 136 | 70% | 0.699 | 78% | 0.776 | S | S | * | * | 61.5 | 139.5 | 108.3 | 67.9 | 0 | 0 | 0 | 0 | 125 | |||||
| 415 | S | 31 | Very low | 36.4 | Very low | 117 Ų | 117 | 137 Ų | 137 | 82% | 0.818 | 78% | 0.775 | S | S | * | * | trans | 97.5 | 145.2 | 147.3 | -51.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 416 | D | 37.5 | Very low | 36.4 | Very low | 138 Ų | 138 | 134.4 Ų | 134.4 | 74% | 0.738 | 77% | 0.771 | S | S | * | * | cis | -164.6 | 169.5 | -32.4 | -171.9 | 33.7 | 0 | 0 | 0 | 111 | ||||
| 417 | T | 34.8 | Very low | 36 | Very low | 99 Ų | 99 | 137.5 Ų | 137.5 | 61% | 0.607 | 78% | 0.775 | S | S | * | * | trans | 70.3 | 113.4 | 149.9 | 12.9 | 0 | 0 | 0 | 0 | 124 | ||||
| 418 | R | 37.3 | Very low | 35 | Very low | 207 Ų | 207 | 140.2 Ų | 140.2 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | 85.9 | 122 | 126.1 | -107.4 | 175.3 | -178.8 | 174.6 | -0.2 | 122.4 | |||||
| 419 | S | 40.3 | Very low | 35 | Very low | 107 Ų | 107 | 143.9 Ų | 143.9 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -69.7 | 158.1 | 150.3 | 40.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 420 | F | 34.6 | Very low | 34.9 | Very low | 176 Ų | 176 | 145 Ų | 145 | 77% | 0.772 | 78% | 0.778 | S | S | * | * | trans | -154.9 | 171.2 | 143.6 | -111.3 | -70.8 | 0 | 0 | 0 | 111.7 | ||||
| 421 | I | 35.2 | Very low | 34.8 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | trans | -109.8 | 147.2 | -173 | -55.3 | 163.4 | 0 | 0 | 0 | 108.1 | ||||
| 422 | M | 30.8 | Very low | 34.5 | Very low | 178 Ų | 178 | 140.5 Ų | 140.5 | 88% | 0.877 | 77% | 0.774 | S | S | * | * | 163.6 | 165.9 | 129.6 | -86.1 | -171 | 89.1 | 0 | 0 | 114.7 | |||||
| 423 | S | 33.8 | Very low | 33.3 | Very low | 103 Ų | 103 | 146.3 Ų | 146.3 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -61.1 | 167.5 | -169.4 | -50.4 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 424 | R | 40.6 | Very low | 32.8 | Very low | 238 Ų | 238 | 143 Ų | 143 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | -46.9 | 150.1 | 156.4 | -64 | 172.9 | 172.5 | 167.5 | -5.6 | 112.3 | ||||
| 425 | P | 39.3 | Very low | 32.9 | Very low | 123 Ų | 123 | 144.8 Ų | 144.8 | 80% | 0.799 | 78% | 0.78 | S | S | * | * | trans | -117.3 | -167.1 | 130.6 | 36.5 | -31.5 | 0 | 0 | 0 | 112.1 | ||||
| 426 | V | 32.4 | Very low | 33 | Very low | 130 Ų | 130 | 146.5 Ų | 146.5 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | -131.8 | -179.3 | -169 | -172.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 427 | I | 31.4 | Very low | 32.7 | Very low | 140 Ų | 140 | 148 Ų | 148 | 72% | 0.718 | 78% | 0.777 | S | S | * | * | trans | 108.6 | 122.5 | 152.1 | -66.4 | 176.3 | 0 | 0 | 0 | 118.9 | ||||
| 428 | E | 27.3 | Very low | 32.5 | Very low | 176 Ų | 176 | 149.9 Ų | 149.9 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | trans | 56.1 | 165.8 | 148.1 | -72.1 | 171.1 | 84.3 | 0 | 0 | 125.2 | ||||
| 429 | E | 33.1 | Very low | 32.1 | Very low | 183 Ų | 183 | 148.2 Ų | 148.2 | 86% | 0.855 | 79% | 0.79 | S | S | * | * | trans | -81.2 | 163.9 | -169.8 | -49.5 | 176.7 | 68.4 | 0 | 0 | 113.8 | ||||
| 430 | A | 27.8 | Very low | 32.6 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 79% | 0.786 | S | S | * | * | -170.4 | 137.8 | 114.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 431 | S | 26.9 | Very low | 33.7 | Very low | 113 Ų | 113 | 145.1 Ų | 145.1 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | -15.8 | 139.7 | 158 | -175 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 432 | A | 26.5 | Very low | 33.4 | Very low | 105 Ų | 105 | 142.7 Ų | 142.7 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -142.8 | 144.4 | 142.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 433 | R | 28.6 | Very low | 33.5 | Very low | 215 Ų | 215 | 142.2 Ų | 142.2 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -141.1 | 135.1 | -165.6 | 173 | -174.1 | 175.5 | -170.8 | 0 | 113.4 | ||||
| 434 | S | 26.9 | Very low | 34.1 | Very low | 107 Ų | 107 | 142 Ų | 142 | 75% | 0.748 | 78% | 0.783 | S | S | * | * | trans | -150.7 | 109.5 | 156.3 | -152.7 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 435 | Q | 34.5 | Very low | 33.8 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | 67 | 138 | 83 | -62.8 | -166.9 | 78.1 | 0 | 0 | 112.8 | |||||
| 436 | Q | 34.5 | Very low | 33.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 72% | 0.715 | 78% | 0.776 | S | S | * | * | cis | -158.8 | 163.8 | 26.4 | -154.3 | 168.1 | -20.6 | 0 | 0 | 113.8 | ||||
| 437 | Q | 30.9 | Very low | 33.4 | Very low | 168 Ų | 168 | 140.4 Ų | 140.4 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | 75.9 | 135.2 | 150.1 | -141.2 | 153.4 | -25.4 | 0 | 0 | 119.3 | ||||
| 438 | V | 29.3 | Very low | 33.4 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 85% | 0.848 | 78% | 0.78 | S | S | * | * | cis | -158.6 | 170.5 | -22 | 115.3 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 439 | Q | 29.4 | Very low | 33.6 | Very low | 171 Ų | 171 | 138.4 Ų | 138.4 | 80% | 0.799 | 78% | 0.775 | S | S | * | * | trans | -116.6 | -167.1 | -174.9 | -124.8 | -168 | 92.3 | 0 | 0 | 111 | ||||
| 440 | P | 51.8 | Low | 33.6 | Very low | 104 Ų | 104 | 141.5 Ų | 141.5 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | cis | -134.8 | -135.6 | -6.2 | 31 | -3.1 | 0 | 0 | 0 | 113.1 | ||||
| 441 | P | 56.3 | Low | 33.8 | Very low | 115 Ų | 115 | 146.9 Ų | 146.9 | 75% | 0.747 | 79% | 0.787 | S | S | * | * | -127.5 | 168.6 | -77.7 | 35 | -18.6 | 0 | 0 | 0 | 116.4 | |||||
| 442 | A | 28.7 | Very low | 34 | Very low | 98 Ų | 98 | 144.4 Ų | 144.4 | 81% | 0.81 | 78% | 0.78 | S | S | * | * | trans | -172.3 | 155.7 | 136.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 443 | L | 34.4 | Very low | 34.3 | Very low | 167 Ų | 167 | 146.2 Ų | 146.2 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | trans | -143.6 | 171.4 | 179.1 | -87 | 177.3 | 0 | 0 | 0 | 108.4 | ||||
| 444 | P | 46.3 | Very low | 34.5 | Very low | 98 Ų | 98 | 143.4 Ų | 143.4 | 64% | 0.636 | 78% | 0.781 | S | S | * | * | cis | -149.5 | 173.8 | 27.4 | 43.9 | -23.8 | 0 | 0 | 0 | 120.2 | ||||
| 445 | R | 34.2 | Very low | 34.8 | Very low | 227 Ų | 227 | 144.8 Ų | 144.8 | 86% | 0.857 | 79% | 0.785 | S | S | * | * | trans | 68.5 | 150.3 | 151.5 | -84.4 | 177.6 | 163.4 | 97 | -1.1 | 118.3 | ||||
| 446 | T | 31.7 | Very low | 34.8 | Very low | 113 Ų | 113 | 143.2 Ų | 143.2 | 69% | 0.693 | 79% | 0.789 | S | S | * | * | cis | -150.9 | 150.2 | 11.4 | -4.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 447 | V | 31.9 | Very low | 34.8 | Very low | 119 Ų | 119 | 140.8 Ų | 140.8 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | trans | 58.2 | 108.6 | 151.8 | -175.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 448 | Q | 31.1 | Very low | 35.8 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.874 | 79% | 0.787 | S | S | * | * | 29.6 | 152.9 | 129.7 | -54 | 179.8 | 14.2 | 0 | 0 | 122.3 | |||||
| 449 | A | 30.6 | Very low | 36.2 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 71% | 0.711 | 79% | 0.786 | S | S | * | * | cis | -170.3 | 135.8 | -25.7 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 450 | R | 34 | Very low | 36.9 | Very low | 249 Ų | 249 | 142.2 Ų | 142.2 | 94% | 0.94 | 79% | 0.791 | S | S | * | * | trans | -166 | 127.5 | 171.6 | 33.3 | -171.3 | 154.7 | -155.5 | -7 | 110.7 | ||||
| 451 | E | 31.3 | Very low | 36.5 | Very low | 210 Ų | 210 | 144 Ų | 144 | 98% | 0.981 | 79% | 0.794 | S | S | * | * | trans | -86.5 | 143.7 | 173.3 | -63 | -177 | 124.2 | 0 | 0 | 110.1 | ||||
| 452 | G | 31.1 | Very low | 35.6 | Very low | 62 Ų | 62 | 145.1 Ų | 145.1 | 64% | 0.639 | 80% | 0.798 | S | S | * | * | trans | -166.1 | 124.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 453 | V | 33.5 | Very low | 36.4 | Very low | 142 Ų | 142 | 146.5 Ų | 146.5 | 86% | 0.861 | 80% | 0.796 | S | S | * | * | trans | -128.4 | 87.8 | 178.2 | 179.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 454 | D | 31.7 | Very low | 37.1 | Very low | 157 Ų | 157 | 146.6 Ų | 146.6 | 84% | 0.84 | 80% | 0.797 | S | S | * | * | trans | -89.8 | 117.7 | -179.8 | -75.4 | -69.4 | 0 | 0 | 0 | 111.9 | S456 | D454-S456 PolarHBondContact O-N 2.98Å; D454-S456 VanDerWaalsContact O-N 3.07Å | ||
| 455 | T | 34.3 | Very low | 36.7 | Very low | 136 Ų | 136 | 150 Ų | 150 | 83% | 0.834 | 81% | 0.809 | S | S | * | * | trans | -81.9 | 85.1 | 171.9 | 36.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 456 | S | 35 | Very low | 36.6 | Very low | 105 Ų | 105 | 142.6 Ų | 142.6 | 73% | 0.734 | 80% | 0.804 | S | S | * | * | trans | -12.8 | 128.5 | 166.7 | -177.3 | 0 | 0 | 0 | 0 | 117.4 | D454 | D454-S456 PolarHBondContact O-N 2.98Å; D454-S456 VanDerWaalsContact O-N 3.07Å | ||
| 457 | S | 32.6 | Very low | 37 | Very low | 102 Ų | 102 | 143.7 Ų | 143.7 | 71% | 0.713 | 81% | 0.81 | S | S | * | * | trans | -134.2 | 115.6 | 159.6 | -71.8 | 0 | 0 | 0 | 0 | 109.1 | K459 | S457-K459 PolarHBondContact O-N 2.91Š| ||
| 458 | P | 51.9 | Low | 37.6 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 75% | 0.747 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -76.4 | 118.6 | -174.8 | 29.1 | -33.3 | 0 | 0 | 0 | 111.7 | ||
| 459 | K | 38.6 | Very low | 37.9 | Very low | 187 Ų | 187 | 139.9 Ų | 139.9 | 81% | 0.813 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -99.6 | 136.4 | 161.8 | -64.4 | 172 | -177.6 | 171.2 | 0 | 108 | S457 | S457-K459 PolarHBondContact O-N 2.91Š|
| 460 | F | 43.4 | Very low | 38.9 | Very low | 207 Ų | 207 | 141.3 Ų | 141.3 | 91% | 0.908 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -89 | 134 | 165.4 | -82.5 | -89.3 | 0 | 0 | 0 | 109.8 | ||
| 461 | I | 44.2 | Very low | 38.8 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 73% | 0.733 | 81% | 0.808 | S | S | * | * | trans | -135.9 | 135.7 | 177.1 | -60.1 | 173.3 | 0 | 0 | 0 | 106.4 | ||||
| 462 | V | 37.6 | Very low | 38.7 | Very low | 138 Ų | 138 | 131.3 Ų | 131.3 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -130.3 | 128.7 | 156.7 | -178 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 463 | T | 45.5 | Very low | 38.7 | Very low | 127 Ų | 127 | 135.7 Ų | 135.7 | 78% | 0.779 | 81% | 0.806 | S | S | * | * | trans | -27.6 | 143.5 | -176.1 | -12.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 464 | L | 49.2 | Very low | 38.5 | Very low | 168 Ų | 168 | 136.6 Ų | 136.6 | 88% | 0.88 | 81% | 0.805 | S | S | * | * | trans | -88.4 | 157.2 | 152.5 | -70 | 166.2 | 0 | 0 | 0 | 109.8 | ||||
| 465 | D | 37.8 | Very low | 38.5 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | trans | -151 | 154.6 | 149.5 | -147.3 | -24.1 | 0 | 0 | 0 | 110.3 | ||||
| 466 | G | 32.4 | Very low | 38.2 | Very low | 72 Ų | 72 | 136.2 Ų | 136.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 110.5 | 79.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 467 | V | 39.4 | Very low | 38 | Very low | 137 Ų | 137 | 134 Ų | 134 | 83% | 0.83 | 80% | 0.797 | S | S | * | * | trans | -91.1 | 164.5 | 156 | -116.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 468 | P | 44 | Very low | 37.7 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 77% | 0.773 | 80% | 0.798 | S | S | * | * | cis | -139.4 | -174.9 | 14.6 | 43.2 | -23.7 | 0 | 0 | 0 | 117.4 | ||||
| 469 | S | 38.9 | Very low | 36.8 | Very low | 107 Ų | 107 | 137 Ų | 137 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | -81.2 | 174.4 | 165.8 | -41.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 470 | P | 50.6 | Low | 36.6 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | -150 | 150.7 | 88.8 | 38.8 | -21.3 | 0 | 0 | 0 | 118.1 | |||||
| 471 | L | 32.1 | Very low | 36.1 | Very low | 174 Ų | 174 | 132.2 Ų | 132.2 | 91% | 0.911 | 78% | 0.783 | S | S | * | * | trans | 21.3 | 132.6 | 136.7 | -51.7 | 172 | 0 | 0 | 0 | 121.1 | ||||
| 472 | G | 28.1 | Very low | 35.4 | Very low | 75 Ų | 75 | 131.9 Ų | 131.9 | 77% | 0.773 | 78% | 0.782 | S | S | * | * | trans | -170.8 | 125.9 | 158.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 473 | N | 31.4 | Very low | 35 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 78% | 0.781 | S | S | * | * | trans | -101.1 | 150.4 | 176.2 | -64.7 | -12.3 | 0 | 0 | 0 | 110 | ||||
| 474 | L | 30.2 | Very low | 34.2 | Very low | 160 Ų | 160 | 131.4 Ų | 131.4 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | 163.2 | 152.5 | 112.8 | -85.1 | 177.5 | 0 | 0 | 0 | 114.6 | |||||
| 475 | T | 30.3 | Very low | 33.3 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 70% | 0.699 | 77% | 0.774 | S | S | * | * | trans | -31.3 | 143.4 | 165.7 | 49.7 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 476 | D | 28.5 | Very low | 33.8 | Very low | 172 Ų | 172 | 131.6 Ų | 131.6 | 92% | 0.92 | 76% | 0.764 | S | S | * | * | 70.4 | 165.5 | 129.5 | -149.4 | -91.9 | 0 | 0 | 0 | 119.8 | |||||
| 477 | G | 30.6 | Very low | 33.5 | Very low | 59 Ų | 59 | 135 Ų | 135 | 61% | 0.608 | 77% | 0.765 | S | S | * | * | trans | 103.9 | 76.1 | 161.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 478 | D | 27.6 | Very low | 32.9 | Very low | 140 Ų | 140 | 132.6 Ų | 132.6 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | 57.8 | 149.4 | 117.5 | -143.6 | -171.5 | 0 | 0 | 0 | 125.2 | |||||
| 479 | M | 32.8 | Very low | 32.1 | Very low | 138 Ų | 138 | 135.9 Ų | 135.9 | 68% | 0.68 | 76% | 0.756 | S | S | * | * | trans | 28.9 | 141.4 | 156.5 | 70.5 | -176.7 | 161.4 | 0 | 0 | 127.3 | ||||
| 480 | E | 34 | Very low | 31.5 | Very low | 155 Ų | 155 | 134.8 Ų | 134.8 | 72% | 0.724 | 75% | 0.754 | S | S | * | * | 99 | 131.5 | 128.2 | -103.5 | -170.8 | 92.8 | 0 | 0 | 125.6 | |||||
| 481 | L | 32.6 | Very low | 30.4 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 73% | 0.733 | 75% | 0.751 | S | S | * | * | trans | 64.4 | 101.8 | 142.8 | -119.1 | 67.6 | 0 | 0 | 0 | 124.1 | ||||
| 482 | D | 30.8 | Very low | 30.1 | Very low | 136 Ų | 136 | 134.9 Ų | 134.9 | 73% | 0.727 | 75% | 0.747 | S | S | * | * | 25.4 | 130.4 | 116.9 | -131.4 | -53.6 | 0 | 0 | 0 | 121.2 | |||||
| 483 | D | 28.2 | Very low | 30.1 | Very low | 149 Ų | 149 | 135.6 Ų | 135.6 | 80% | 0.797 | 75% | 0.745 | S | S | * | * | -166.4 | 119.5 | 120.9 | -135.8 | -68.3 | 0 | 0 | 0 | 114 | |||||
| 484 | V | 28.6 | Very low | 29.9 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 64% | 0.642 | 75% | 0.748 | S | S | * | * | trans | 33.1 | 102.9 | 143.4 | -174.1 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 485 | R | 29.9 | Very low | 29.7 | Very low | 233 Ų | 233 | 129.1 Ų | 129.1 | 88% | 0.879 | 74% | 0.744 | S | S | * | * | 67 | 174.6 | 112.2 | -123 | -169.3 | -158.2 | -177.5 | 9.4 | 120.5 | |||||
| 486 | P | 48.9 | Very low | 29.7 | Very low | 107 Ų | 107 | 132.6 Ų | 132.6 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | -125.1 | -171.5 | -99.5 | 45 | -30.3 | 0 | 0 | 0 | 115.5 | |||||
| 487 | L | 25.5 | Very low | 29.7 | Very low | 144 Ų | 144 | 128.9 Ų | 128.9 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | 156.4 | 154.7 | 118.2 | -169.5 | 62.3 | 0 | 0 | 0 | 114.4 | |||||
| 488 | S | 27.7 | Very low | 29.6 | Very low | 86 Ų | 86 | 135.8 Ų | 135.8 | 60% | 0.601 | 74% | 0.744 | S | S | * | * | trans | 90.5 | 116.5 | 162.2 | -45.1 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 489 | K | 27.8 | Very low | 29.8 | Very low | 189 Ų | 189 | 138 Ų | 138 | 82% | 0.822 | 74% | 0.742 | S | S | * | * | 75.4 | 139.1 | 72.8 | -70 | 167.4 | -171.9 | 175.5 | 0 | 113.2 | |||||
| 490 | A | 25.8 | Very low | 29.4 | Very low | 84 Ų | 84 | 140.6 Ų | 140.6 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | cis | -166.8 | -156.2 | -7.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 491 | T | 26.6 | Very low | 29.3 | Very low | 115 Ų | 115 | 138.6 Ų | 138.6 | 71% | 0.706 | 76% | 0.755 | S | S | * | * | trans | 77.9 | 108.3 | 159.9 | -57.9 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 492 | E | 26.8 | Very low | 29.3 | Very low | 177 Ų | 177 | 140.8 Ų | 140.8 | 83% | 0.827 | 76% | 0.759 | S | S | * | * | 68.5 | 145.6 | 82.1 | -71.3 | 171.7 | 175.3 | 0 | 0 | 113.7 | |||||
| 493 | A | 27.9 | Very low | 29.3 | Very low | 89 Ų | 89 | 141 Ų | 141 | 74% | 0.736 | 77% | 0.765 | S | S | * | * | cis | -162.1 | 171 | -5.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 494 | A | 27.2 | Very low | 29.4 | Very low | 107 Ų | 107 | 138.8 Ų | 138.8 | 88% | 0.884 | 76% | 0.761 | S | S | * | * | trans | 61.9 | 155.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 495 | G | 25.8 | Very low | 29.4 | Very low | 72 Ų | 72 | 139.8 Ų | 139.8 | 74% | 0.742 | 77% | 0.767 | S | S | * | * | cis | 137.2 | 97.6 | -8.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 496 | H | 29.8 | Very low | 29.4 | Very low | 187 Ų | 187 | 134.5 Ų | 134.5 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | trans | -147.4 | 159.1 | 157.7 | -155.3 | -93.1 | 0 | 0 | 0 | 111.4 | ||||
| 497 | V | 29.1 | Very low | 28.4 | Very low | 94 Ų | 94 | 137 Ų | 137 | 57% | 0.57 | 76% | 0.763 | S | S | * | * | trans | -140.6 | 166.7 | -162 | -163 | 0 | 0 | 0 | 0 | 111 | ||||
| 498 | Y | 29.1 | Very low | 28.7 | Very low | 204 Ų | 204 | 139.4 Ų | 139.4 | 80% | 0.8 | 76% | 0.762 | S | S | * | * | trans | 82.3 | 150.1 | 160.6 | -65.8 | -52.1 | 0 | 0 | 0 | 118.1 | ||||
| 499 | R | 30.2 | Very low | 28.9 | Very low | 186 Ų | 186 | 141.9 Ų | 141.9 | 70% | 0.702 | 77% | 0.768 | S | S | * | * | cis | -152.1 | 152.1 | 4.3 | -138.1 | -169.6 | -149.1 | -164.5 | 11.3 | 113.6 | ||||
| 500 | E | 25.4 | Very low | 28.8 | Very low | 192 Ų | 192 | 141.4 Ų | 141.4 | 90% | 0.897 | 77% | 0.769 | S | S | * | * | trans | -126 | 166.3 | 145 | -74.6 | -159.1 | 120.8 | 0 | 0 | 110.6 | ||||
| 501 | S | 31.7 | Very low | 28.9 | Very low | 113 Ų | 113 | 140.4 Ų | 140.4 | 79% | 0.79 | 77% | 0.767 | S | S | * | * | trans | -100.2 | 160.9 | -168.6 | -86.8 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 502 | K | 32.5 | Very low | 28.9 | Very low | 187 Ų | 187 | 141.6 Ų | 141.6 | 81% | 0.813 | 77% | 0.774 | S | S | * | * | trans | -102.4 | 140.5 | -161.2 | -48.6 | 173 | -178.4 | -179.9 | 0 | 114.7 | ||||
| 503 | V | 31.1 | Very low | 29 | Very low | 141 Ų | 141 | 138.9 Ų | 138.9 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | trans | -148 | 112.2 | 140.2 | -153.2 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 504 | S | 29.5 | Very low | 29.1 | Very low | 102 Ų | 102 | 140.9 Ų | 140.9 | 71% | 0.713 | 77% | 0.772 | S | S | * | * | 64.4 | 133.3 | 64.3 | -149.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 505 | V | 29.3 | Very low | 29.9 | Very low | 126 Ų | 126 | 141.6 Ų | 141.6 | 76% | 0.764 | 77% | 0.768 | S | S | * | * | cis | -164.2 | 155.3 | -1.5 | 110.7 | 0 | 0 | 0 | 0 | 106 | ||||
| 506 | L | 29.5 | Very low | 30 | Very low | 122 Ų | 122 | 142.9 Ų | 142.9 | 64% | 0.639 | 77% | 0.765 | S | S | * | * | cis | -173.4 | 148.4 | -24.2 | 161.3 | 150.5 | 0 | 0 | 0 | 107 | R508 | L506-R508 HydrophobicContact CD2-CB 4.15Š| ||
| 507 | D | 28.5 | Very low | 30 | Very low | 160 Ų | 160 | 141.3 Ų | 141.3 | 86% | 0.856 | 76% | 0.758 | S | S | * | * | trans | -140.5 | 157.6 | 158.5 | -158.7 | -104.6 | 0 | 0 | 0 | 110.4 | ||||
| 508 | R | 32.2 | Very low | 30 | Very low | 195 Ų | 195 | 144.5 Ų | 144.5 | 74% | 0.736 | 77% | 0.772 | S | S | * | * | trans | -162.1 | 175.2 | -158.9 | -165 | 171 | 179.7 | 174.9 | 0.5 | 111.7 | L506 | L506-R508 HydrophobicContact CD2-CB 4.15Š| ||
| 509 | L | 30.2 | Very low | 30.3 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 72% | 0.723 | 75% | 0.754 | S | S | * | * | trans | 86.8 | 142.7 | 174.9 | -45.2 | 173.6 | 0 | 0 | 0 | 113 | ||||
| 510 | Q | 27 | Very low | 30.5 | Very low | 178 Ų | 178 | 139.2 Ų | 139.2 | 83% | 0.832 | 76% | 0.764 | S | S | * | * | cis | -164.2 | 162.9 | -20.1 | -121 | 164.9 | -9.4 | 0 | 0 | 109.5 | ||||
| 511 | G | 27.5 | Very low | 30.7 | Very low | 64 Ų | 64 | 139 Ų | 139 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | 98.7 | 137.7 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 512 | V | 27.4 | Very low | 30.6 | Very low | 140 Ų | 140 | 141 Ų | 141 | 85% | 0.848 | 77% | 0.767 | S | S | * | * | cis | 62.9 | 114.3 | 18 | -162.5 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 513 | V | 27.7 | Very low | 30.7 | Very low | 120 Ų | 120 | 137.9 Ų | 137.9 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | -152 | 149.4 | 52.2 | -140.3 | 0 | 0 | 0 | 0 | 114 | |||||
| 514 | T | 31.3 | Very low | 30.8 | Very low | 130 Ų | 130 | 139.2 Ų | 139.2 | 80% | 0.798 | 77% | 0.765 | S | S | * | * | trans | 52 | 154.5 | 149.8 | 39.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 515 | P | 43.7 | Very low | 30.9 | Very low | 123 Ų | 123 | 140.9 Ų | 140.9 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | trans | -109.1 | 160.8 | -175.8 | 42 | -33.7 | 0 | 0 | 0 | 115.7 | ||||
| 516 | S | 27.9 | Very low | 31.2 | Very low | 98 Ų | 98 | 139 Ų | 139 | 69% | 0.685 | 77% | 0.769 | S | S | * | * | trans | -174.5 | 150.3 | 162.6 | -119.4 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 517 | E | 28.5 | Very low | 31.7 | Very low | 154 Ų | 154 | 141 Ų | 141 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | cis | -161.9 | 165.1 | -16.5 | 53.7 | -146.7 | 97.1 | 0 | 0 | 108.8 | ||||
| 518 | D | 29.6 | Very low | 32.1 | Very low | 162 Ų | 162 | 141.1 Ų | 141.1 | 87% | 0.866 | 78% | 0.776 | S | S | * | * | trans | 58.8 | 161.2 | 165.5 | -65.1 | -22.2 | 0 | 0 | 0 | 121.8 | ||||
| 519 | G | 34.7 | Very low | 32.2 | Very low | 41 Ų | 41 | 138 Ų | 138 | 42% | 0.423 | 77% | 0.774 | S | S | . | * | trans | 126.4 | 42.1 | 144 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 520 | R | 34.7 | Very low | 32.5 | Very low | 237 Ų | 237 | 138.9 Ų | 138.9 | 89% | 0.894 | 78% | 0.779 | S | S | * | * | trans | 58.5 | 138.6 | 162.8 | 74.9 | -99.5 | 178.7 | -94 | 6.1 | 119.3 | ||||
| 521 | M | 29.8 | Very low | 33.1 | Very low | 187 Ų | 187 | 136 Ų | 136 | 92% | 0.921 | 77% | 0.773 | S | S | * | * | trans | -116.4 | 128.8 | 149.3 | 60.6 | -170.9 | 176.5 | 0 | 0 | 106.7 | ||||
| 522 | D | 29.8 | Very low | 34 | Very low | 156 Ų | 156 | 137.1 Ų | 137.1 | 83% | 0.834 | 77% | 0.769 | S | S | * | * | trans | -141.3 | 155.3 | 166.9 | -153.7 | 158.5 | 0 | 0 | 0 | 107.1 | ||||
| 523 | V | 35.2 | Very low | 34.9 | Very low | 121 Ų | 121 | 139.1 Ų | 139.1 | 73% | 0.733 | 77% | 0.771 | S | S | * | * | trans | -125.9 | 93.9 | -158.9 | -171.6 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 524 | D | 32.1 | Very low | 35.7 | Very low | 169 Ų | 169 | 142.9 Ų | 142.9 | 90% | 0.904 | 78% | 0.778 | S | S | * | * | trans | -66 | 133 | 164.6 | -91.5 | -57.5 | 0 | 0 | 0 | 110.5 | ||||
| 525 | V | 32.9 | Very low | 36.9 | Very low | 138 Ų | 138 | 146.1 Ų | 146.1 | 84% | 0.836 | 78% | 0.781 | S | S | * | * | trans | -89.7 | 123.6 | 178.9 | 173.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 526 | A | 35.3 | Very low | 37.4 | Very low | 87 Ų | 87 | 149 Ų | 149 | 72% | 0.719 | 78% | 0.784 | S | S | * | * | trans | -145.6 | 110 | 164.2 | 0 | 0 | 0 | 0 | 0 | 110 | E528 | A526-E528 HydrophobicContact CB-CG 4.44Š| ||
| 527 | D | 38.9 | Very low | 38.9 | Very low | 162 Ų | 162 | 148.6 Ų | 148.6 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | trans | -92.8 | 99.6 | 165.2 | -175.9 | -111.7 | 0 | 0 | 0 | 107 | ||||
| 528 | E | 37.8 | Very low | 40.6 | Very low | 164 Ų | 164 | 144.3 Ų | 144.3 | 77% | 0.766 | 75% | 0.754 | S | S | * | * | trans | -144.6 | 147.9 | -173.6 | -72.8 | -83 | 63.9 | 0 | 0 | 111.9 | A526 | A526-E528 HydrophobicContact CB-CG 4.44Š| ||
| 529 | D | 33.5 | Very low | 42.4 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 70% | 0.695 | 75% | 0.75 | S | S | * | * | trans | 63.7 | 94.6 | 166.3 | -90.1 | -56 | 0 | 0 | 0 | 120.3 | V531 | D529-V531 PolarHBondContact O-N 3.37Å; D529-V531 VanDerWaalsContact O-N 3.17Å | ||
| 530 | D | 38 | Very low | 44.3 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -56.9 | 109.7 | 149.6 | -178.3 | -92.8 | 0 | 0 | 0 | 109.9 | P532 | D530-P532 WeakPolarHBondContact O-CD 3.24Å; D530-P532 VanDerWaalsContact O-N 3.14Å | ||
| 531 | V | 38.4 | Very low | 46.3 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 71% | 0.709 | 72% | 0.718 | S | S | * | * | trans | -64.8 | 112.2 | -166.1 | 178.3 | 0 | 0 | 0 | 0 | 112.1 | D529 M533 | D529-V531 PolarHBondContact O-N 3.37Å; D529-V531 VanDerWaalsContact O-N 3.17Å; V531-M533 PolarHBondContact O-N 3.41Å; V531-M533 VanDerWaalsContact O-N 3.07Å | ||
| 532 | P | 45.8 | Very low | 48.7 | Very low | 88 Ų | 88 | 129 Ų | 129 | 57% | 0.571 | 67% | 0.674 | S | S | * | * | trans | -71 | 113 | 178.3 | -15.4 | 31 | 0 | 0 | 0 | 109.4 | D530 K534 | D530-P532 WeakPolarHBondContact O-CD 3.24Å; D530-P532 VanDerWaalsContact O-N 3.14Å; P532-K534 PolarHBondContact O-N 3.19Å | ||
| 533 | M | 46.6 | Very low | 51 | Low | 182 Ų | 182 | 129.6 Ų | 129.6 | 90% | 0.897 | 67% | 0.67 | S | S | * | * | trans | -61.9 | 95.3 | 177.8 | -73.3 | -163.2 | 178.3 | 0 | 0 | 111.2 | V531 K535 | V531-M533 PolarHBondContact O-N 3.41Å; V531-M533 VanDerWaalsContact O-N 3.07Å; M533-K535 PolarHBondContact O-N 2.87Å | ||
| 534 | K | 45.7 | Very low | 52.8 | Low | 199 Ų | 199 | 130.8 Ų | 130.8 | 87% | 0.865 | 67% | 0.665 | S | S | * | * | trans | -59.7 | 103 | -178.6 | -74.1 | 168.4 | -176.7 | 165.8 | 0 | 110.1 | P532 Q536 | P532-K534 PolarHBondContact O-N 3.19Å; K534-Q536 PolarHBondContact O-N 3.17Å; K534-Q536 VanDerWaalsContact O-N 3.11Å | ||
| 535 | K | 55.3 | Low | 54.8 | Low | 198 Ų | 198 | 126.5 Ų | 126.5 | 86% | 0.861 | 64% | 0.637 | S | S | * | * | trans | -50.4 | 116.6 | -179 | -68.1 | 168.3 | -174.9 | 163.6 | 0 | 109.9 | M533 K537 | M533-K535 PolarHBondContact O-N 2.87Å; K535-K537 PolarHBondContact O-N 2.73Å | ||
| 536 | Q | 55.2 | Low | 56.7 | Low | 184 Ų | 184 | 124.8 Ų | 124.8 | 86% | 0.86 | 63% | 0.628 | S | S | * | * | trans | -58.1 | 110.8 | -168.4 | -173.3 | 175.3 | -11.5 | 0 | 0 | 111.5 | K534 V538 | K534-Q536 PolarHBondContact O-N 3.17Å; K534-Q536 VanDerWaalsContact O-N 3.11Å; Q536-V538 PolarHBondContact O-N 3.22Å | ||
| 537 | K | 59.2 | Low | 58.5 | Low | 90 Ų | 90 | 126.8 Ų | 126.8 | 39% | 0.391 | 63% | 0.631 | S | S | . | * | trans | -64.3 | 123 | -176.4 | -166.2 | 161 | -175.1 | 143.5 | 0 | 109.9 | K535 M539 D552 C554 V555 Y556 | K535-K537 PolarHBondContact O-N 2.73Å; K537-M539 PolarHBondContact O-N 3.19Å; K537-D552 PolarHBondContact NZ-O 2.91Å; K537-C554 WeakPolarHBondContact CE-O 3.32Å; K537-C554 PolarHBondContact NZ-O 3.32Å; K537-V555 WeakPolarHBondContact CG-O 3.39Å; K537-Y556 WeakPolarHBondContact CE-O 3.49Å | ||
| 538 | V | 64.6 | Low | 60.5 | Low | 63 Ų | 63 | 120.1 Ų | 120.1 | 38% | 0.382 | 60% | 0.597 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.5 | 130 | -176.1 | -178.6 | 0 | 0 | 0 | 0 | 108.6 | Q536 E540 V555 Y556 | Q536-V538 PolarHBondContact O-N 3.22Å; V538-E540 HydrophobicContact CG1-CB 3.98Å; V538-E540 PolarHBondContact O-N 3.25Å; V538-V555 HydrophobicContact CG2-CG1 3.95Å; V538-V555 PolarHBondContact N-O 3.44Å; V538-Y556 HydrophobicContact CB-CD1 4.43Å |
| 539 | M | 65.9 | Low | 62.5 | Low | 162 Ų | 162 | 121.8 Ų | 121.8 | 80% | 0.798 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.9 | 20.2 | -178.9 | -59.8 | -176.9 | 75.3 | 0 | 0 | 113.8 | K537 L576 | K537-M539 PolarHBondContact O-N 3.19Å; M539-L576 WeakPolarHBondContact O-CD2 3.44Å |
| 540 | E | 75.3 | Confident | 64.6 | Low | 108 Ų | 108 | 119 Ų | 119 | 51% | 0.505 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.4 | 136.6 | 173.5 | -174 | 174.2 | -160.9 | 0 | 0 | 109.7 | V538 Y556 H557 | V538-E540 HydrophobicContact CG1-CB 3.98Å; V538-E540 PolarHBondContact O-N 3.25Å; E540-Y556 HydrophobicContact CB-CD1 4.28Å; E540-H557 PolarHBondContact O-N 3.1Å |
| 541 | R | 76.8 | Confident | 66.3 | Low | 33 Ų | 33 | 113.2 Ų | 113.2 | 13% | 0.125 | 57% | 0.569 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -66.6 | 131.7 | 175.2 | 175.4 | -177.3 | -75.6 | 132.3 | -10.4 | 110.1 | K543 H557 P559 D573 C575 L576 F577 | R541-K543 PolarHBondContact O-N 2.85Å; R541-H557 WeakPolarHBondContact CA-O 3.43Å; R541-P559 HydrophobicContact CG-CG 4.17Å; R541-P559 VanDerWaalsContact NE-CG 3.27Å; R541-D573 PolarHBondContact NH1-O 3.24Å; R541-C575 PolarHBondContact NH1-O 2.78Å; R541-C575 PolarHBondContact NH2-O 3.36Å; R541-L576 VanDerWaalsContact NH2-C 3.34Å; R541-L576 PolarHBondContact NH2-O 3.36Å; R541-F577 PolarHBondContact NH2-O 3.43Å |
| 542 | C | 81.4 | Confident | 67.8 | Low | 2 Ų | 2 | 113.2 Ų | 113.2 | 1% | 0.014 | 57% | 0.565 | C | S | . | * | P | Polyproline II helix | trans | -56.3 | 126.6 | -178.5 | -174.3 | 0 | 0 | 0 | 0 | 112.5 | F544 W545 C548 Y556 H557 H558 | C542-F544 PolarHBondContact O-N 3.31Å; C542-F544 PolarHBondContact SG-N 3.35Å; C542-W545 HydrophobicContact CB-CB 4.06Å; C542-W545 WeakPolarHBondContact O-CB 3.48Å; C542-W545 PolarHBondContact O-N 3.46Å; C542-C548 VanDerWaalsContact SG-SG 3.61Å; C542-Y556 VanDerWaalsContact CA-CB 3.49Å; C542-H557 PolarHBondContact N-O 2.79Å; C542-H558 WeakPolarHBondContact CB-CD2 3.44Å; C542-H558 WeakPolarHBondContact CB-NE2 3.3Å; C542-H558 PolarHBondContact SG-NE2 3.02Å; C542-H558 VanDerWaalsContact SG-NE2 3.41Å |
| 543 | K | 76.9 | Confident | 69.1 | Low | 169 Ų | 169 | 117.9 Ų | 117.9 | 74% | 0.735 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | -24.6 | 177.7 | -175 | 170.7 | -178.8 | 171.1 | 0 | 113.7 | R541 | R541-K543 PolarHBondContact O-N 2.85Š|
| 544 | F | 72.6 | Confident | 70.7 | Confident | 147 Ų | 147 | 109.6 Ų | 109.6 | 65% | 0.645 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.5 | -5.5 | -176.7 | -57.2 | -74.8 | 0 | 0 | 0 | 113.6 | C542 V547 C548 | C542-F544 PolarHBondContact O-N 3.31Å; C542-F544 PolarHBondContact SG-N 3.35Å; F544-V547 CarbonylContact O-C 3.56Å; F544-V547 VanDerWaalsContact O-C 3.22Å; F544-V547 WeakPolarHBondContact O-CA 3.26Å; F544-V547 PolarHBondContact O-N 3.06Å; F544-C548 HydrophobicContact CB-CB 4.15Å; F544-C548 PolarHBondContact O-N 3.48Å |
| 545 | W | 74.9 | Confident | 72.4 | Confident | 79 Ų | 79 | 104 Ų | 104 | 30% | 0.299 | 52% | 0.522 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66 | 137.3 | 174.2 | -179 | 92.9 | 0 | 0 | 0 | 110.8 | C542 H558 P559 V578 | C542-W545 HydrophobicContact CB-CB 4.06Å; C542-W545 WeakPolarHBondContact O-CB 3.48Å; C542-W545 PolarHBondContact O-N 3.46Å; W545-H558 AromaticContact CD1-CD2 3.44Å; W545-H558 VanDerWaalsContact CD1-CD2 3.44Å; W545-H558 AromaticContact CD1-CG 3.61Å; W545-H558 AromaticContact CG-CD2 3.88Å; W545-P559 WeakPolarHBondContact CZ2-O 3.46Å; W545-V578 HydrophobicContact CH2-CG2 4.41Å |
| 546 | P | 73.4 | Confident | 73.5 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 66% | 0.662 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -85.2 | -10.1 | 9.8 | 33.9 | -37 | 0 | 0 | 0 | 115.5 | C548 | P546-C548 PolarHBondContact O-N 2.9Å; P546-C548 VanDerWaalsContact O-N 3.08Å |
| 547 | V | 72.2 | Confident | 74.7 | Confident | 129 Ų | 129 | 92.9 Ų | 92.9 | 78% | 0.782 | 47% | 0.469 | S | S | * | . | S | Bend | trans | -86.5 | 34.2 | -173.9 | -155.1 | 0 | 0 | 0 | 0 | 112.3 | F544 K549 | F544-V547 CarbonylContact O-C 3.56Å; F544-V547 VanDerWaalsContact O-C 3.22Å; F544-V547 WeakPolarHBondContact O-CA 3.26Å; F544-V547 PolarHBondContact O-N 3.06Å; V547-K549 PolarHBondContact O-N 3.38Å |
| 548 | C | 82.1 | Confident | 75.8 | Confident | 21 Ų | 21 | 89.4 Ų | 89.4 | 14% | 0.142 | 45% | 0.454 | C | S | . | . | trans | -88.5 | 111.6 | -175.4 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | C542 F544 P546 S550 G551 C554 H558 | C542-C548 VanDerWaalsContact SG-SG 3.61Å; F544-C548 HydrophobicContact CB-CB 4.15Å; F544-C548 PolarHBondContact O-N 3.48Å; P546-C548 PolarHBondContact O-N 2.9Å; P546-C548 VanDerWaalsContact O-N 3.08Å; C548-S550 PolarHBondContact O-N 3.32Å; C548-G551 PolarHBondContact O-N 2.98Å; C548-C554 VanDerWaalsContact SG-SG 3.68Å; C548-H558 VanDerWaalsContact CB-CE1 3.43Å; C548-H558 WeakPolarHBondContact CB-CE1 3.46Å; C548-H558 VanDerWaalsContact CB-NE2 3.34Å; C548-H558 WeakPolarHBondContact CB-NE2 3.23Å | ||
| 549 | K | 78.2 | Confident | 76.4 | Confident | 200 Ų | 200 | 86.5 Ų | 86.5 | 87% | 0.87 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -20.8 | 179.9 | -66.1 | -165.8 | 172.5 | -161 | 0 | 115 | V547 G551 | V547-K549 PolarHBondContact O-N 3.38Å; K549-G551 VanDerWaalsContact C-N 3.28Å; K549-G551 PolarHBondContact O-N 3.31Å |
| 550 | S | 77.4 | Confident | 76.8 | Confident | 71 Ų | 71 | 84.8 Ų | 84.8 | 50% | 0.497 | 44% | 0.436 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -1.9 | -178.2 | -53.1 | 0 | 0 | 0 | 0 | 114.6 | C548 E553 C554 | C548-S550 PolarHBondContact O-N 3.32Å; S550-E553 CarbonylContact O-C 3.27Å; S550-E553 PolarHBondContact O-N 3Å; S550-C554 PolarHBondContact O-N 3.37Å |
| 551 | G | 74.9 | Confident | 77.1 | Confident | 34 Ų | 34 | 81.7 Ų | 81.7 | 35% | 0.351 | 43% | 0.429 | S | S | . | . | G | 310 helix | trans | 52.6 | -146.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | C548 K549 E553 C554 H558 | C548-G551 PolarHBondContact O-N 2.98Å; K549-G551 VanDerWaalsContact C-N 3.28Å; K549-G551 PolarHBondContact O-N 3.31Å; G551-E553 PolarHBondContact O-N 2.84Å; G551-C554 WeakPolarHBondContact O-CB 3.12Å; G551-C554 PolarHBondContact O-N 3.42Å; G551-H558 PolarHBondContact O-CE1 3.24Å; G551-H558 PolarHBondContact O-ND1 2.95Å |
| 552 | D | 68.6 | Low | 77.3 | Confident | 117 Ų | 117 | 87.7 Ų | 87.7 | 63% | 0.626 | 46% | 0.458 | S | S | * | . | G | 310 helix | trans | -72.8 | -15.8 | 178.1 | -66.8 | -64.4 | 0 | 0 | 0 | 114.1 | K537 C554 | K537-D552 PolarHBondContact NZ-O 2.91Å; D552-C554 PolarHBondContact O-N 3.31Å |
| 553 | E | 74.6 | Confident | 77.4 | Confident | 185 Ų | 185 | 88.1 Ų | 88.1 | 86% | 0.864 | 46% | 0.461 | S | S | * | . | G | 310 helix | trans | -75 | 0.6 | 170.3 | -168.5 | 162.7 | -156.4 | 0 | 0 | 113 | S550 G551 V555 | S550-E553 CarbonylContact O-C 3.27Å; S550-E553 PolarHBondContact O-N 3Å; G551-E553 PolarHBondContact O-N 2.84Å; E553-V555 PolarHBondContact O-N 3.03Å |
| 554 | C | 79.6 | Confident | 77.5 | Confident | 9 Ų | 9 | 89.9 Ų | 89.9 | 6% | 0.061 | 47% | 0.469 | C | S | . | . | trans | -58.2 | 133.4 | 170.5 | -161.5 | 0 | 0 | 0 | 0 | 111.8 | K537 C548 S550 G551 D552 Y556 H558 | K537-C554 WeakPolarHBondContact CE-O 3.32Å; K537-C554 PolarHBondContact NZ-O 3.32Å; C548-C554 VanDerWaalsContact SG-SG 3.68Å; S550-C554 PolarHBondContact O-N 3.37Å; G551-C554 WeakPolarHBondContact O-CB 3.12Å; G551-C554 PolarHBondContact O-N 3.42Å; D552-C554 PolarHBondContact O-N 3.31Å; C554-Y556 PolarHBondContact O-N 3.04Å; C554-Y556 VanDerWaalsContact O-N 3.12Å; C554-H558 WeakPolarHBondContact CB-CE1 3.43Å | ||
| 555 | V | 81.9 | Confident | 77.8 | Confident | 82 Ų | 82 | 87.1 Ų | 87.1 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -59.7 | -19.2 | 173.7 | 178.3 | 0 | 0 | 0 | 0 | 112.4 | K537 V538 E553 | K537-V555 WeakPolarHBondContact CG-O 3.39Å; V538-V555 HydrophobicContact CG2-CG1 3.95Å; V538-V555 PolarHBondContact N-O 3.44Å; E553-V555 PolarHBondContact O-N 3.03Å |
| 556 | Y | 77.5 | Confident | 77.9 | Confident | 101 Ų | 101 | 86.7 Ų | 86.7 | 40% | 0.396 | 46% | 0.464 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 155.4 | 177.7 | -60.7 | -90.5 | 0 | 0 | 0 | 111.3 | K537 V538 E540 C542 C554 H558 | K537-Y556 WeakPolarHBondContact CE-O 3.49Å; V538-Y556 HydrophobicContact CB-CD1 4.43Å; E540-Y556 HydrophobicContact CB-CD1 4.28Å; C542-Y556 VanDerWaalsContact CA-CB 3.49Å; C554-Y556 PolarHBondContact O-N 3.04Å; C554-Y556 VanDerWaalsContact O-N 3.12Å; Y556-H558 PolarHBondContact O-N 3.08Å |
| 557 | H | 81.3 | Confident | 78.3 | Confident | 47 Ų | 47 | 85.5 Ų | 85.5 | 22% | 0.218 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 129.9 | -175.6 | -177.1 | 76.5 | 0 | 0 | 0 | 113.1 | E540 R541 C542 L576 | E540-H557 PolarHBondContact O-N 3.1Å; R541-H557 WeakPolarHBondContact CA-O 3.43Å; C542-H557 PolarHBondContact N-O 2.79Å; H557-L576 HydrophobicContact CB-CD2 4.34Å |
| 558 | H | 80.8 | Confident | 78.4 | Confident | 17 Ų | 17 | 86.2 Ų | 86.2 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | trans | -105.5 | 114 | 170.7 | -72.5 | 166.2 | 0 | 0 | 0 | 110 | C542 W545 C548 G551 C554 Y556 T560 | C542-H558 WeakPolarHBondContact CB-CD2 3.44Å; C542-H558 WeakPolarHBondContact CB-NE2 3.3Å; C542-H558 PolarHBondContact SG-NE2 3.02Å; C542-H558 VanDerWaalsContact SG-NE2 3.41Å; W545-H558 AromaticContact CD1-CD2 3.44Å; W545-H558 VanDerWaalsContact CD1-CD2 3.44Å; W545-H558 AromaticContact CD1-CG 3.61Å; W545-H558 AromaticContact CG-CD2 3.88Å; C548-H558 VanDerWaalsContact CB-CE1 3.43Å; C548-H558 WeakPolarHBondContact CB-CE1 3.46Å; C548-H558 VanDerWaalsContact CB-NE2 3.34Å; C548-H558 WeakPolarHBondContact CB-NE2 3.23Å; G551-H558 PolarHBondContact O-CE1 3.24Å; G551-H558 PolarHBondContact O-ND1 2.95Å; C554-H558 WeakPolarHBondContact CB-CE1 3.43Å; Y556-H558 PolarHBondContact O-N 3.08Å; H558-T560 PolarHBondContact O-N 3.48Å | ||
| 559 | P | 78.3 | Confident | 78.2 | Confident | 2 Ų | 2 | 85.6 Ų | 85.6 | 1% | 0.013 | 45% | 0.451 | C | S | . | . | trans | -89 | 108.2 | 179.7 | 7.1 | 10.5 | 0 | 0 | 0 | 111 | R541 W545 L576 V578 | R541-P559 HydrophobicContact CG-CG 4.17Å; R541-P559 VanDerWaalsContact NE-CG 3.27Å; W545-P559 WeakPolarHBondContact CZ2-O 3.46Å; P559-L576 WeakPolarHBondContact CB-O 3.34Å; P559-L576 WeakPolarHBondContact CG-O 3.42Å; P559-V578 HydrophobicContact CB-CG2 3.89Å | ||
| 560 | T | 74.4 | Confident | 78.1 | Confident | 126 Ų | 126 | 84.4 Ų | 84.4 | 77% | 0.773 | 45% | 0.446 | S | S | * | . | trans | -87.4 | -27.2 | 168.7 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | H558 | H558-T560 PolarHBondContact O-N 3.48Š| ||
| 561 | A | 81.1 | Confident | 77.9 | Confident | 43 Ų | 43 | 86.8 Ų | 86.8 | 36% | 0.355 | 45% | 0.448 | S | S | . | . | S | Bend | trans | -96.2 | 140.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | F577 V578 | A561-F577 HydrophobicContact CB-CD1 4.03Å; A561-F577 HydrophobicContact CB-CE1 4.38Å; A561-V578 PolarHBondContact O-N 3.35Å |
| 562 | Q | 81.6 | Confident | 77.9 | Confident | 159 Ų | 159 | 85.4 Ų | 85.4 | 74% | 0.743 | 43% | 0.434 | S | S | * | . | B | Isolated β-bridge | trans | -69.2 | 150.9 | 166.8 | 66.7 | -179.4 | 4.1 | 0 | 0 | 112 | K564 V578 | Q562-K564 PolarHBondContact O-N 3.02Å; Q562-V578 WeakPolarHBondContact CA-O 3.24Å |
| 563 | C | 82.3 | Confident | 78 | Confident | 11 Ų | 11 | 81.5 Ų | 81.5 | 7% | 0.074 | 41% | 0.413 | C | S | . | . | trans | -72.5 | 112.2 | -178.5 | -174.9 | 0 | 0 | 0 | 0 | 111.9 | T565 F566 F577 V578 H579 | C563-T565 PolarHBondContact O-N 3.21Å; C563-T565 VanDerWaalsContact O-N 3.11Å; C563-T565 PolarHBondContact SG-N 2.9Å; C563-F566 HydrophobicContact CB-CB 4.33Å; C563-F566 WeakPolarHBondContact O-CB 3.32Å; C563-F566 PolarHBondContact O-N 2.92Å; C563-F566 VanDerWaalsContact O-N 3.09Å; C563-F577 HydrophobicContact CB-CB 3.72Å; C563-V578 PolarHBondContact N-O 3.16Å; C563-H579 WeakPolarHBondContact CB-CD2 3.28Å; C563-H579 WeakPolarHBondContact CB-NE2 3.5Å | ||
| 564 | K | 79.8 | Confident | 78 | Confident | 206 Ų | 206 | 81.5 Ų | 81.5 | 90% | 0.896 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | -16.7 | 174.9 | -58.4 | -175.7 | -179.2 | -176.7 | 0 | 113.9 | Q562 | Q562-K564 PolarHBondContact O-N 3.02Š|
| 565 | T | 79.5 | Confident | 78.1 | Confident | 88 Ų | 88 | 81.3 Ų | 81.3 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | 1.3 | 179.6 | -35.5 | 0 | 0 | 0 | 0 | 112.8 | C563 N568 C569 | C563-T565 PolarHBondContact O-N 3.21Å; C563-T565 VanDerWaalsContact O-N 3.11Å; C563-T565 PolarHBondContact SG-N 2.9Å; T565-N568 CarbonylContact O-C 3.59Å; T565-N568 VanDerWaalsContact O-C 3.27Å; T565-N568 PolarHBondContact O-N 3.35Å; T565-C569 PolarHBondContact O-N 3.33Å |
| 566 | F | 77.4 | Confident | 77.9 | Confident | 71 Ų | 71 | 80 Ų | 80 | 31% | 0.311 | 40% | 0.399 | S | S | . | . | trans | -68 | 136.1 | 170.6 | -176.7 | -90.3 | 0 | 0 | 0 | 109.7 | C563 H579 P580 P594 F595 | C563-F566 HydrophobicContact CB-CB 4.33Å; C563-F566 WeakPolarHBondContact O-CB 3.32Å; C563-F566 PolarHBondContact O-N 2.92Å; C563-F566 VanDerWaalsContact O-N 3.09Å; F566-H579 HydrophobicContact CD2-CB 4.26Å; F566-P580 HydrophobicContact CD2-CG 4.28Å; F566-P580 HydrophobicContact CE1-CG 3.94Å; F566-P580 HydrophobicContact CE2-CG 3.6Å; F566-P580 HydrophobicContact CZ-CG 3.41Å; F566-P580 VanDerWaalsContact CZ-CG 3.41Å; F566-P594 WeakPolarHBondContact CE2-O 3.35Å; F566-F595 HydrophobicContact CE2-CD1 4.32Å; F566-F595 HydrophobicContact CE2-CE1 4.19Å; F566-F595 HydrophobicContact CE2-CZ 4.37Å; F566-F595 HydrophobicContact CZ-CD1 4.34Å; F566-F595 AromaticContact CZ-CE1 3.78Å; F566-F595 HydrophobicContact CZ-CE1 3.78Å; F566-F595 AromaticContact CZ-CZ 3.95Å; F566-F595 HydrophobicContact CZ-CZ 3.95Å | ||
| 567 | P | 79.9 | Confident | 78.1 | Confident | 77 Ų | 77 | 79.9 Ų | 79.9 | 50% | 0.5 | 40% | 0.4 | S | S | . | . | S | Bend | cis | -86.3 | -15 | 10.2 | 33.9 | -36.4 | 0 | 0 | 0 | 115.7 | C569 P594 | P567-C569 PolarHBondContact O-N 3.39Å; P567-P594 WeakPolarHBondContact O-CB 3.43Å |
| 568 | N | 74.2 | Confident | 78.2 | Confident | 144 Ų | 144 | 80.1 Ų | 80.1 | 77% | 0.77 | 41% | 0.405 | S | S | * | . | S | Bend | trans | -83.9 | 28.2 | -172 | -65.2 | -11.6 | 0 | 0 | 0 | 114 | T565 K570 | T565-N568 CarbonylContact O-C 3.59Å; T565-N568 VanDerWaalsContact O-C 3.27Å; T565-N568 PolarHBondContact O-N 3.35Å; N568-K570 PolarHBondContact O-N 2.94Å; N568-K570 VanDerWaalsContact O-N 3.16Å |
| 569 | C | 78.9 | Confident | 78.2 | Confident | 7 Ų | 7 | 79.4 Ų | 79.4 | 5% | 0.047 | 40% | 0.402 | C | S | . | . | trans | -79.3 | 104 | -172.7 | -177.7 | 0 | 0 | 0 | 0 | 112 | T565 P567 F571 G572 C575 H579 | T565-C569 PolarHBondContact O-N 3.33Å; P567-C569 PolarHBondContact O-N 3.39Å; C569-F571 PolarHBondContact O-N 3.16Å; C569-G572 PolarHBondContact O-N 3.07Å; C569-G572 VanDerWaalsContact O-N 3.15Å; C569-C575 VanDerWaalsContact SG-SG 3.65Å; C569-H579 VanDerWaalsContact CB-CE1 3.43Å; C569-H579 WeakPolarHBondContact CB-CE1 3.16Å; C569-H579 PolarHBondContact SG-CE1 2.93Å; C569-H579 PolarHBondContact SG-NE2 3.02Å; C569-H579 VanDerWaalsContact SG-NE2 3.37Å | ||
| 570 | K | 75.9 | Confident | 78.5 | Confident | 175 Ų | 175 | 82.3 Ų | 82.3 | 76% | 0.761 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -8.8 | 179.2 | 70 | -179.4 | -178.3 | -179 | 0 | 116.6 | N568 | N568-K570 PolarHBondContact O-N 2.94Å; N568-K570 VanDerWaalsContact O-N 3.16Å |
| 571 | F | 72.6 | Confident | 78.9 | Confident | 121 Ų | 121 | 81.5 Ų | 81.5 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.5 | -12.8 | -178.8 | -59.3 | -71.9 | 0 | 0 | 0 | 114 | C569 D573 K574 C575 | C569-F571 PolarHBondContact O-N 3.16Å; F571-D573 PolarHBondContact O-N 3.05Å; F571-K574 CarbonylContact O-C 3.5Å; F571-K574 WeakPolarHBondContact O-CA 3.47Å; F571-K574 WeakPolarHBondContact O-CB 3.07Å; F571-K574 PolarHBondContact O-N 3.15Å; F571-C575 HydrophobicContact CB-CB 3.72Å; F571-C575 PolarHBondContact O-N 2.76Å |
| 572 | G | 75.4 | Confident | 79.1 | Confident | 5 Ų | 5 | 80 Ų | 80 | 5% | 0.052 | 40% | 0.398 | C | S | . | . | G | 310 helix | trans | 46.8 | -127.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | C569 K574 C575 H579 C593 | C569-G572 PolarHBondContact O-N 3.07Å; C569-G572 VanDerWaalsContact O-N 3.15Å; G572-K574 PolarHBondContact O-N 3.09Å; G572-C575 VanDerWaalsContact O-CB 3.26Å; G572-C575 WeakPolarHBondContact O-CB 3.45Å; G572-C575 PolarHBondContact O-N 2.96Å; G572-C575 VanDerWaalsContact O-N 3.16Å; G572-H579 PolarHBondContact O-CE1 3.16Å; G572-C593 WeakPolarHBondContact CA-O 3.45Å |
| 573 | D | 71.6 | Confident | 79.2 | Confident | 36 Ų | 36 | 80.8 Ų | 80.8 | 19% | 0.193 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -54 | -34.7 | 175 | -79.8 | -25.8 | 0 | 0 | 0 | 114.9 | R541 F571 C575 T596 H597 R600 | R541-D573 PolarHBondContact NH1-O 3.24Å; F571-D573 PolarHBondContact O-N 3.05Å; D573-C575 VanDerWaalsContact C-N 3.3Å; D573-T596 WeakPolarHBondContact OD1-CA 3.44Å; D573-H597 VanDerWaalsContact CG-ND1 3.26Å; D573-H597 WeakPolarHBondContact OD1-CB 3.29Å; D573-H597 IonicContact OD1-CE1 3.37Å; D573-H597 IonicContact OD1-CG 3.7Å; D573-H597 PolarHBondContact OD1-N 3.46Å; D573-H597 IonicContact OD1-ND1 3.07Å; D573-H597 PolarHBondContact OD1-ND1 3.36Å; D573-H597 IonicContact OD2-CG 3.9Å; D573-H597 IonicContact OD2-ND1 2.72Å; D573-H597 PolarHBondContact OD2-ND1 3.42Å; D573-H597 VanDerWaalsContact OD2-ND1 3.07Å; D573-R600 VanDerWaalsContact OD2-CD 3.29Å; D573-R600 WeakPolarHBondContact OD2-CD 3.38Å |
| 574 | K | 72.9 | Confident | 79.3 | Confident | 184 Ų | 184 | 86.6 Ų | 86.6 | 80% | 0.8 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -83.4 | -7 | -175.7 | -51.7 | -180 | -167.2 | -67.9 | 0 | 112.5 | F571 G572 L576 | F571-K574 CarbonylContact O-C 3.5Å; F571-K574 WeakPolarHBondContact O-CA 3.47Å; F571-K574 WeakPolarHBondContact O-CB 3.07Å; F571-K574 PolarHBondContact O-N 3.15Å; G572-K574 PolarHBondContact O-N 3.09Å; K574-L576 PolarHBondContact O-N 2.75Å |
| 575 | C | 82.1 | Confident | 79.4 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 4% | 0.041 | 39% | 0.388 | C | S | . | . | trans | -57.2 | 134.4 | 174.4 | -171.2 | 0 | 0 | 0 | 0 | 109.9 | R541 C569 F571 G572 D573 F577 H579 | R541-C575 PolarHBondContact NH1-O 2.78Å; R541-C575 PolarHBondContact NH2-O 3.36Å; C569-C575 VanDerWaalsContact SG-SG 3.65Å; F571-C575 HydrophobicContact CB-CB 3.72Å; F571-C575 PolarHBondContact O-N 2.76Å; G572-C575 VanDerWaalsContact O-CB 3.26Å; G572-C575 WeakPolarHBondContact O-CB 3.45Å; G572-C575 PolarHBondContact O-N 2.96Å; G572-C575 VanDerWaalsContact O-N 3.16Å; D573-C575 VanDerWaalsContact C-N 3.3Å; C575-F577 VanDerWaalsContact C-N 3.33Å; C575-F577 PolarHBondContact O-N 3.49Å; C575-H579 WeakPolarHBondContact CB-NE2 3.35Å; C575-H579 PolarHBondContact SG-NE2 2.74Å | ||
| 576 | L | 79.3 | Confident | 79.5 | Confident | 54 Ų | 54 | 78 Ų | 78 | 28% | 0.283 | 39% | 0.392 | S | S | . | . | S | Bend | trans | -62 | -42.6 | 176.6 | -64.9 | 177.6 | 0 | 0 | 0 | 110.8 | M539 R541 H557 P559 K574 | M539-L576 WeakPolarHBondContact O-CD2 3.44Å; R541-L576 VanDerWaalsContact NH2-C 3.34Å; R541-L576 PolarHBondContact NH2-O 3.36Å; H557-L576 HydrophobicContact CB-CD2 4.34Å; P559-L576 WeakPolarHBondContact CB-O 3.34Å; P559-L576 WeakPolarHBondContact CG-O 3.42Å; K574-L576 PolarHBondContact O-N 2.75Å |
| 577 | F | 81.6 | Confident | 79.5 | Confident | 98 Ų | 98 | 84.7 Ų | 84.7 | 43% | 0.43 | 42% | 0.415 | S | S | . | . | S | Bend | trans | -73.8 | 159 | -179.5 | -57.3 | -73.9 | 0 | 0 | 0 | 114.3 | R541 A561 C563 C575 | R541-F577 PolarHBondContact NH2-O 3.43Å; A561-F577 HydrophobicContact CB-CD1 4.03Å; A561-F577 HydrophobicContact CB-CE1 4.38Å; C563-F577 HydrophobicContact CB-CB 3.72Å; C575-F577 VanDerWaalsContact C-N 3.33Å; C575-F577 PolarHBondContact O-N 3.49Å |
| 578 | V | 82.3 | Confident | 79.7 | Confident | 53 Ų | 53 | 81.5 Ų | 81.5 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | B | Isolated β-bridge | trans | -71.5 | 129.6 | -179.8 | -171 | 0 | 0 | 0 | 0 | 111 | W545 P559 A561 Q562 C563 | W545-V578 HydrophobicContact CH2-CG2 4.41Å; P559-V578 HydrophobicContact CB-CG2 3.89Å; A561-V578 PolarHBondContact O-N 3.35Å; Q562-V578 WeakPolarHBondContact CA-O 3.24Å; C563-V578 PolarHBondContact N-O 3.16Å |
| 579 | H | 81.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 80.9 Ų | 80.9 | 1% | 0.005 | 40% | 0.396 | C | S | . | . | trans | -114.5 | 150.8 | 163.6 | -56.4 | -168.9 | 0 | 0 | 0 | 109 | C563 F566 C569 G572 C575 P594 T596 | C563-H579 WeakPolarHBondContact CB-CD2 3.28Å; C563-H579 WeakPolarHBondContact CB-NE2 3.5Å; F566-H579 HydrophobicContact CD2-CB 4.26Å; C569-H579 VanDerWaalsContact CB-CE1 3.43Å; C569-H579 WeakPolarHBondContact CB-CE1 3.16Å; C569-H579 PolarHBondContact SG-CE1 2.93Å; C569-H579 PolarHBondContact SG-NE2 3.02Å; C569-H579 VanDerWaalsContact SG-NE2 3.37Å; G572-H579 PolarHBondContact O-CE1 3.16Å; C575-H579 WeakPolarHBondContact CB-NE2 3.35Å; C575-H579 PolarHBondContact SG-NE2 2.74Å; H579-P594 PolarHBondContact ND1-O 2.81Å; H579-T596 HydrophobicContact CB-CG2 3.92Å; H579-T596 PolarHBondContact O-OG1 3.26Å | ||
| 580 | P | 83.3 | Confident | 80.2 | Confident | 63 Ų | 63 | 87.4 Ų | 87.4 | 41% | 0.409 | 42% | 0.424 | S | S | . | . | P | Polyproline II helix | trans | -55.7 | 151 | 172.2 | 24 | -34.7 | 0 | 0 | 0 | 112.3 | F566 F595 T596 | F566-P580 HydrophobicContact CD2-CG 4.28Å; F566-P580 HydrophobicContact CE1-CG 3.94Å; F566-P580 HydrophobicContact CE2-CG 3.6Å; F566-P580 HydrophobicContact CZ-CG 3.41Å; F566-P580 VanDerWaalsContact CZ-CG 3.41Å; P580-F595 HydrophobicContact CB-CD1 4.25Å; P580-F595 HydrophobicContact CG-CD1 3.88Å; P580-F595 HydrophobicContact CG-CE1 4.01Å; P580-F595 CarbonylContact O-C 3.41Å; P580-F595 VanDerWaalsContact O-CA 3.3Å; P580-F595 WeakPolarHBondContact O-CA 3.35Å; P580-F595 WeakPolarHBondContact O-CB 3.39Å; P580-T596 PolarHBondContact O-N 3.32Å; P580-T596 PolarHBondContact O-OG1 3.27Å |
| 581 | N | 83 | Confident | 80.1 | Confident | 109 Ų | 109 | 83.5 Ų | 83.5 | 58% | 0.583 | 42% | 0.416 | S | S | * | . | B | Isolated β-bridge | trans | -70.2 | 145.3 | -174 | -60.4 | 103.7 | 0 | 0 | 0 | 113 | K583 T596 | N581-K583 PolarHBondContact O-N 3.01Å; N581-T596 CarbonylContact C-O 3.58Å; N581-T596 WeakPolarHBondContact CA-O 3.4Å; N581-T596 PolarHBondContact ND2-OG1 3.43Å |
| 582 | C | 86.6 | Confident | 80.1 | Confident | 11 Ų | 11 | 84.2 Ų | 84.2 | 7% | 0.074 | 43% | 0.425 | C | S | . | . | P | Polyproline II helix | trans | -72.8 | 121.8 | 176.6 | -177.9 | 0 | 0 | 0 | 0 | 110.9 | Y584 D585 F595 T596 H597 | C582-Y584 PolarHBondContact O-N 3.1Å; C582-Y584 PolarHBondContact SG-N 3.21Å; C582-D585 PolarHBondContact O-N 3.11Å; C582-F595 HydrophobicContact CB-CB 3.7Å; C582-T596 PolarHBondContact N-O 3.48Å; C582-H597 WeakPolarHBondContact CB-CE1 3.39Å; C582-H597 VanDerWaalsContact CB-NE2 3.32Å; C582-H597 WeakPolarHBondContact CB-NE2 3.43Å; C582-H597 PolarHBondContact SG-NE2 3.22Å |
| 583 | K | 83.4 | Confident | 80.4 | Confident | 177 Ų | 177 | 84.4 Ų | 84.4 | 77% | 0.77 | 43% | 0.426 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -8.6 | 176.6 | 72.6 | -174.8 | -177.2 | -176.3 | 0 | 115.4 | N581 | N581-K583 PolarHBondContact O-N 3.01Š|
| 584 | Y | 83.4 | Confident | 80.8 | Confident | 132 Ų | 132 | 84.8 Ų | 84.8 | 52% | 0.518 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -111.7 | -16.9 | 175.6 | -58.8 | -62.2 | 0 | 0 | 0 | 114 | C582 A586 R587 | C582-Y584 PolarHBondContact O-N 3.1Å; C582-Y584 PolarHBondContact SG-N 3.21Å; Y584-A586 PolarHBondContact O-N 3.23Å; Y584-R587 WeakPolarHBondContact O-CA 3.37Å; Y584-R587 WeakPolarHBondContact O-CB 3.37Å; Y584-R587 PolarHBondContact O-N 3.5Å |
| 585 | D | 82 | Confident | 81.2 | Confident | 41 Ų | 41 | 80 Ų | 80 | 22% | 0.219 | 41% | 0.41 | C | S | . | . | G | 310 helix | trans | 26.1 | -110.5 | -172 | -163.2 | -6 | 0 | 0 | 0 | 114 | C582 R587 C588 H597 V598 S599 | C582-D585 PolarHBondContact O-N 3.11Å; D585-R587 PolarHBondContact O-N 3.32Å; D585-C588 VanDerWaalsContact O-CB 3.26Å; D585-C588 WeakPolarHBondContact O-CB 3.37Å; D585-C588 PolarHBondContact O-N 3.23Å; D585-H597 PolarHBondContact O-CD2 2.97Å; D585-H597 WeakPolarHBondContact OD1-CA 3.26Å; D585-H597 WeakPolarHBondContact OD1-CB 3.3Å; D585-H597 IonicContact OD1-CD2 3.56Å; D585-H597 IonicContact OD1-CG 3.13Å; D585-V598 PolarHBondContact OD1-N 2.83Å; D585-V598 VanDerWaalsContact OD1-N 3.11Å; D585-V598 WeakPolarHBondContact OD2-CB 3.48Å; D585-V598 PolarHBondContact OD2-N 3.42Å; D585-V598 VanDerWaalsContact OD2-N 3.1Å; D585-S599 WeakPolarHBondContact OD1-CB 3.39Å; D585-S599 PolarHBondContact OD1-N 2.97Å; D585-S599 PolarHBondContact OD2-N 3.48Å |
| 586 | A | 81.1 | Confident | 81.1 | Confident | 74 Ų | 74 | 80 Ų | 80 | 61% | 0.612 | 41% | 0.41 | S | S | * | . | G | 310 helix | trans | -54.9 | -15.7 | -178.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y584 S599 | Y584-A586 PolarHBondContact O-N 3.23Å; A586-S599 WeakPolarHBondContact CB-OG 3.49Å |
| 587 | R | 78.6 | Confident | 81.2 | Confident | 210 Ų | 210 | 77.6 Ų | 77.6 | 79% | 0.792 | 40% | 0.397 | S | S | * | . | G | 310 helix | trans | -103.6 | 4.5 | 177.7 | -59.2 | -179.2 | 63.6 | -133.9 | -4.5 | 113.6 | Y584 D585 T589 | Y584-R587 WeakPolarHBondContact O-CA 3.37Å; Y584-R587 WeakPolarHBondContact O-CB 3.37Å; Y584-R587 PolarHBondContact O-N 3.5Å; D585-R587 PolarHBondContact O-N 3.32Å; R587-T589 PolarHBondContact O-N 3.07Å |
| 588 | C | 84.1 | Confident | 80.8 | Confident | 10 Ų | 10 | 77 Ų | 77 | 7% | 0.068 | 40% | 0.401 | C | S | . | . | trans | -74.8 | 117.3 | 176.9 | -172.4 | 0 | 0 | 0 | 0 | 111.1 | D585 H597 R600 | D585-C588 VanDerWaalsContact O-CB 3.26Å; D585-C588 WeakPolarHBondContact O-CB 3.37Å; D585-C588 PolarHBondContact O-N 3.23Å; C588-H597 WeakPolarHBondContact CB-NE2 3.4Å; C588-H597 PolarHBondContact SG-NE2 3.02Å; C588-H597 VanDerWaalsContact SG-NE2 3.38Å; C588-R600 PolarHBondContact O-NH2 2.89Å | ||
| 589 | T | 83.8 | Confident | 80 | Confident | 132 Ų | 132 | 77.8 Ų | 77.8 | 81% | 0.81 | 41% | 0.409 | S | S | * | . | trans | -86.1 | -13.5 | 178.1 | 50.5 | 0 | 0 | 0 | 0 | 113.9 | R587 P591 | R587-T589 PolarHBondContact O-N 3.07Å; T589-P591 WeakPolarHBondContact O-CD 3.29Å | ||
| 590 | K | 78.9 | Confident | 79.2 | Confident | 144 Ų | 144 | 83.1 Ų | 83.1 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | trans | -76.6 | 121.4 | 176.4 | -66.1 | -164.9 | 174.5 | -164.2 | 0 | 110 | C593 | K590-C593 HydrophobicContact CB-CB 4.21Š| ||
| 591 | P | 73.9 | Confident | 78.2 | Confident | 93 Ų | 93 | 85.2 Ų | 85.2 | 60% | 0.604 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -50.1 | 177 | 24.4 | -30 | 0 | 0 | 0 | 111.1 | T589 C593 | T589-P591 WeakPolarHBondContact O-CD 3.29Å; P591-C593 VanDerWaalsContact C-N 3.26Å; P591-C593 PolarHBondContact O-N 3.33Å; P591-C593 VanDerWaalsContact O-N 3.14Å |
| 592 | D | 73.1 | Confident | 76.8 | Confident | 135 Ų | 135 | 82.7 Ų | 82.7 | 72% | 0.722 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.9 | 53.5 | -179.2 | -49.7 | -72 | 0 | 0 | 0 | 111.2 | P594 | D592-P594 WeakPolarHBondContact O-CD 3.35Š|
| 593 | C | 81 | Confident | 74.6 | Confident | 10 Ų | 10 | 88.1 Ų | 88.1 | 7% | 0.068 | 46% | 0.461 | C | S | . | . | trans | -74.4 | 128 | 177.5 | -168.3 | 0 | 0 | 0 | 0 | 110.4 | G572 K590 P591 F595 | G572-C593 WeakPolarHBondContact CA-O 3.45Å; K590-C593 HydrophobicContact CB-CB 4.21Å; P591-C593 VanDerWaalsContact C-N 3.26Å; P591-C593 PolarHBondContact O-N 3.33Å; P591-C593 VanDerWaalsContact O-N 3.14Å; C593-F595 PolarHBondContact O-N 3.17Å | ||
| 594 | P | 80.5 | Confident | 72.6 | Confident | 44 Ų | 44 | 85.3 Ų | 85.3 | 29% | 0.286 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -69.7 | -0.7 | 179 | -22.8 | 34.9 | 0 | 0 | 0 | 115.7 | F566 P567 H579 D592 | F566-P594 WeakPolarHBondContact CE2-O 3.35Å; P567-P594 WeakPolarHBondContact O-CB 3.43Å; H579-P594 PolarHBondContact ND1-O 2.81Å; D592-P594 WeakPolarHBondContact O-CD 3.35Å |
| 595 | F | 80.9 | Confident | 70.7 | Confident | 84 Ų | 84 | 83.1 Ų | 83.1 | 37% | 0.368 | 47% | 0.468 | S | S | . | . | S | Bend | trans | -111.1 | 144.1 | -177.2 | -65.6 | -97.6 | 0 | 0 | 0 | 110.3 | F566 P580 C582 C593 H597 | F566-F595 HydrophobicContact CE2-CD1 4.32Å; F566-F595 HydrophobicContact CE2-CE1 4.19Å; F566-F595 HydrophobicContact CE2-CZ 4.37Å; F566-F595 HydrophobicContact CZ-CD1 4.34Å; F566-F595 AromaticContact CZ-CE1 3.78Å; F566-F595 HydrophobicContact CZ-CE1 3.78Å; F566-F595 AromaticContact CZ-CZ 3.95Å; F566-F595 HydrophobicContact CZ-CZ 3.95Å; P580-F595 HydrophobicContact CB-CD1 4.25Å; P580-F595 HydrophobicContact CG-CD1 3.88Å; P580-F595 HydrophobicContact CG-CE1 4.01Å; P580-F595 CarbonylContact O-C 3.41Å; P580-F595 VanDerWaalsContact O-CA 3.3Å; P580-F595 WeakPolarHBondContact O-CA 3.35Å; P580-F595 WeakPolarHBondContact O-CB 3.39Å; C582-F595 HydrophobicContact CB-CB 3.7Å; C593-F595 PolarHBondContact O-N 3.17Å; F595-H597 PolarHBondContact O-CE1 2.9Å; F595-H597 PolarHBondContact O-ND1 3.34Å |
| 596 | T | 81.7 | Confident | 68.9 | Low | 6 Ų | 6 | 85.9 Ų | 85.9 | 4% | 0.037 | 49% | 0.488 | C | S | . | . | B | Isolated β-bridge | trans | -73.8 | 135.8 | -175.8 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | D573 H579 P580 N581 C582 | D573-T596 WeakPolarHBondContact OD1-CA 3.44Å; H579-T596 HydrophobicContact CB-CG2 3.92Å; H579-T596 PolarHBondContact O-OG1 3.26Å; P580-T596 PolarHBondContact O-N 3.32Å; P580-T596 PolarHBondContact O-OG1 3.27Å; N581-T596 CarbonylContact C-O 3.58Å; N581-T596 WeakPolarHBondContact CA-O 3.4Å; N581-T596 PolarHBondContact ND2-OG1 3.43Å; C582-T596 PolarHBondContact N-O 3.48Å |
| 597 | H | 80.7 | Confident | 67.1 | Low | 2 Ų | 2 | 87.9 Ų | 87.9 | 1% | 0.009 | 50% | 0.495 | C | S | . | . | trans | -99.1 | 133.7 | 172.5 | -62.4 | 67.4 | 0 | 0 | 0 | 109 | D573 C582 D585 C588 F595 R600 R601 | D573-H597 VanDerWaalsContact CG-ND1 3.26Å; D573-H597 WeakPolarHBondContact OD1-CB 3.29Å; D573-H597 IonicContact OD1-CE1 3.37Å; D573-H597 IonicContact OD1-CG 3.7Å; D573-H597 PolarHBondContact OD1-N 3.46Å; D573-H597 IonicContact OD1-ND1 3.07Å; D573-H597 PolarHBondContact OD1-ND1 3.36Å; D573-H597 IonicContact OD2-CG 3.9Å; D573-H597 IonicContact OD2-ND1 2.72Å; D573-H597 PolarHBondContact OD2-ND1 3.42Å; D573-H597 VanDerWaalsContact OD2-ND1 3.07Å; C582-H597 WeakPolarHBondContact CB-CE1 3.39Å; C582-H597 VanDerWaalsContact CB-NE2 3.32Å; C582-H597 WeakPolarHBondContact CB-NE2 3.43Å; C582-H597 PolarHBondContact SG-NE2 3.22Å; D585-H597 PolarHBondContact O-CD2 2.97Å; D585-H597 WeakPolarHBondContact OD1-CA 3.26Å; D585-H597 WeakPolarHBondContact OD1-CB 3.3Å; D585-H597 IonicContact OD1-CD2 3.56Å; D585-H597 IonicContact OD1-CG 3.13Å; C588-H597 WeakPolarHBondContact CB-NE2 3.4Å; C588-H597 PolarHBondContact SG-NE2 3.02Å; C588-H597 VanDerWaalsContact SG-NE2 3.38Å; F595-H597 PolarHBondContact O-CE1 2.9Å; F595-H597 PolarHBondContact O-ND1 3.34Å; H597-R600 HydrophobicContact CB-CB 3.87Å; H597-R600 HydrophobicContact CB-CG 3.92Å; H597-R601 PolarHBondContact O-NE 3.38Å | ||
| 598 | V | 71.9 | Confident | 65.2 | Low | 85 Ų | 85 | 86.2 Ų | 86.2 | 52% | 0.515 | 50% | 0.501 | S | S | . | . | S | Bend | trans | -87.9 | -39.2 | 170.8 | -171.9 | 0 | 0 | 0 | 0 | 108.5 | D585 R600 R601 | D585-V598 PolarHBondContact OD1-N 2.83Å; D585-V598 VanDerWaalsContact OD1-N 3.11Å; D585-V598 WeakPolarHBondContact OD2-CB 3.48Å; D585-V598 PolarHBondContact OD2-N 3.42Å; D585-V598 VanDerWaalsContact OD2-N 3.1Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 2.88Å; V598-R601 WeakPolarHBondContact O-CB 3.46Å; V598-R601 PolarHBondContact O-N 3.07Å |
| 599 | S | 67 | Low | 63.1 | Low | 71 Ų | 71 | 95.9 Ų | 95.9 | 50% | 0.497 | 54% | 0.536 | S | S | . | . | G | 310 helix | trans | -68.3 | -23.9 | -177.4 | -167.8 | 0 | 0 | 0 | 0 | 114.6 | D585 A586 R601 | D585-S599 WeakPolarHBondContact OD1-CB 3.39Å; D585-S599 PolarHBondContact OD1-N 2.97Å; D585-S599 PolarHBondContact OD2-N 3.48Å; A586-S599 WeakPolarHBondContact CB-OG 3.49Å; S599-R601 VanDerWaalsContact C-N 3.32Å |
| 600 | R | 64.6 | Low | 61 | Low | 113 Ų | 113 | 95.3 Ų | 95.3 | 43% | 0.426 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -80.4 | -9 | 177.9 | -69.9 | -178.9 | 175 | -92.2 | 3.5 | 113.7 | D573 C588 H597 V598 G602 | D573-R600 VanDerWaalsContact OD2-CD 3.29Å; D573-R600 WeakPolarHBondContact OD2-CD 3.38Å; C588-R600 PolarHBondContact O-NH2 2.89Å; H597-R600 HydrophobicContact CB-CB 3.87Å; H597-R600 HydrophobicContact CB-CG 3.92Å; V598-R600 VanDerWaalsContact C-N 3.32Å; V598-R600 PolarHBondContact O-N 2.88Å; R600-G602 PolarHBondContact O-N 3.06Å; R600-G602 VanDerWaalsContact O-N 3.1Å |
| 601 | R | 61.5 | Low | 59.1 | Low | 107 Ų | 107 | 94.2 Ų | 94.2 | 40% | 0.404 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -75 | 8.6 | 178.2 | -55.2 | -176.9 | -175 | -159.6 | -0.1 | 114.2 | H597 V598 S599 | H597-R601 PolarHBondContact O-NE 3.38Å; V598-R601 WeakPolarHBondContact O-CB 3.46Å; V598-R601 PolarHBondContact O-N 3.07Å; S599-R601 VanDerWaalsContact C-N 3.32Å |
| 602 | G | 53.8 | Low | 57.8 | Low | 56 Ų | 56 | 95.9 Ų | 95.9 | 58% | 0.577 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -108.4 | -9.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | R600 | R600-G602 PolarHBondContact O-N 3.06Å; R600-G602 VanDerWaalsContact O-N 3.1Å |
| 603 | T | 40.3 | Very low | 56.3 | Low | 124 Ų | 124 | 97.4 Ų | 97.4 | 76% | 0.761 | 55% | 0.551 | S | S | * | * | trans | -107.4 | 64.4 | -170.5 | 56.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 604 | V | 40.8 | Very low | 54.8 | Low | 118 Ų | 118 | 105.2 Ų | 105.2 | 72% | 0.715 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -107.9 | 126.1 | 144.4 | 176.7 | 0 | 0 | 0 | 0 | 105.4 | ||
| 605 | A | 43.6 | Very low | 53.3 | Low | 87 Ų | 87 | 108.2 Ų | 108.2 | 72% | 0.719 | 61% | 0.608 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 130.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 606 | P | 44.8 | Very low | 52.2 | Low | 99 Ų | 99 | 107.2 Ų | 107.2 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 144 | 170.8 | 28.9 | -33.6 | 0 | 0 | 0 | 108.7 | L608 | P606-L608 PolarHBondContact O-N 2.88Š|
| 607 | P | 43.8 | Very low | 51.2 | Low | 115 Ų | 115 | 108.6 Ų | 108.6 | 75% | 0.747 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 142.6 | 163.8 | 26.7 | -33.9 | 0 | 0 | 0 | 108.3 | R609 | P607-R609 PolarHBondContact O-N 3.47Š|
| 608 | L | 39.2 | Very low | 50.5 | Low | 175 Ų | 175 | 113.7 Ų | 113.7 | 92% | 0.916 | 66% | 0.664 | S | S | * | * | trans | -61.1 | 97.5 | -179.3 | -67.6 | 174.4 | 0 | 0 | 0 | 109.3 | P606 | P606-L608 PolarHBondContact O-N 2.88Š| ||
| 609 | R | 38.6 | Very low | 50.9 | Low | 214 Ų | 214 | 113.9 Ų | 113.9 | 81% | 0.808 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 133.6 | 164 | -59.7 | -173.9 | -172.6 | -146.8 | -0.2 | 106.4 | P607 V611 | P607-R609 PolarHBondContact O-N 3.47Å; R609-V611 PolarHBondContact O-N 3.14Å |
| 610 | P | 39.9 | Very low | 51.8 | Low | 120 Ų | 120 | 114 Ų | 114 | 78% | 0.779 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -56.4 | 117.3 | 171.2 | 23.9 | -32.3 | 0 | 0 | 0 | 107.5 | V612 | P610-V612 PolarHBondContact O-N 2.98Å; P610-V612 VanDerWaalsContact O-N 3.12Å |
| 611 | V | 40.4 | Very low | 52.9 | Low | 120 Ų | 120 | 108.8 Ų | 108.8 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.7 | 170.5 | 171.8 | 0 | 0 | 0 | 0 | 105.4 | R609 Q613 | R609-V611 PolarHBondContact O-N 3.14Å; V611-Q613 HydrophobicContact CG1-CG 4.31Å; V611-Q613 PolarHBondContact O-N 3.13Å |
| 612 | V | 45.5 | Very low | 53.9 | Low | 129 Ų | 129 | 114.7 Ų | 114.7 | 78% | 0.782 | 67% | 0.666 | S | S | * | * | trans | -65.2 | 91.2 | 166.4 | 178.5 | 0 | 0 | 0 | 0 | 106.1 | P610 Q614 | P610-V612 PolarHBondContact O-N 2.98Å; P610-V612 VanDerWaalsContact O-N 3.12Å; V612-Q614 VanDerWaalsContact C-N 3.29Å; V612-Q614 PolarHBondContact O-N 3.07Å | ||
| 613 | Q | 42.3 | Very low | 55.3 | Low | 167 Ų | 167 | 119.4 Ų | 119.4 | 78% | 0.78 | 67% | 0.671 | S | S | * | * | trans | -65.1 | 96.4 | 172.1 | -70.3 | 178.8 | -56.4 | 0 | 0 | 106.2 | V611 S615 | V611-Q613 HydrophobicContact CG1-CG 4.31Å; V611-Q613 PolarHBondContact O-N 3.13Å; Q613-S615 PolarHBondContact O-N 3.26Å | ||
| 614 | Q | 49.2 | Very low | 57.1 | Low | 173 Ų | 173 | 116.1 Ų | 116.1 | 81% | 0.808 | 65% | 0.646 | S | S | * | * | trans | -61.5 | 94.7 | 162.8 | -75 | -173.6 | -40.4 | 0 | 0 | 106.7 | V612 S616 | V612-Q614 VanDerWaalsContact C-N 3.29Å; V612-Q614 PolarHBondContact O-N 3.07Å; Q614-S616 PolarHBondContact O-N 2.86Å | ||
| 615 | S | 48.7 | Very low | 59.2 | Low | 107 Ų | 107 | 113.9 Ų | 113.9 | 75% | 0.748 | 63% | 0.634 | S | S | * | * | trans | -74.7 | 63.9 | -178.6 | 59.5 | 0 | 0 | 0 | 0 | 110 | Q613 S617 | Q613-S615 PolarHBondContact O-N 3.26Å; S615-S617 PolarHBondContact O-N 3.5Å | ||
| 616 | S | 56.9 | Low | 60.9 | Low | 63 Ų | 63 | 117.5 Ų | 117.5 | 44% | 0.441 | 64% | 0.636 | S | S | . | * | trans | -57.2 | 114 | 160.1 | 61 | 0 | 0 | 0 | 0 | 106.6 | Q614 A618 | Q614-S616 PolarHBondContact O-N 2.86Å; S616-A618 PolarHBondContact O-N 2.91Å | ||
| 617 | S | 60.8 | Low | 62.8 | Low | 36 Ų | 36 | 114.2 Ų | 114.2 | 25% | 0.252 | 62% | 0.615 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -52.3 | 143 | -179.6 | 60.4 | 0 | 0 | 0 | 0 | 110.4 | S615 T619 P633 F634 Y635 | S615-S617 PolarHBondContact O-N 3.5Å; S617-T619 CarbonylContact O-C 3.59Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 PolarHBondContact OG-O 2.84Å; S617-P633 PolarHBondContact N-O 3.48Å; S617-F634 WeakPolarHBondContact OG-CD1 3.4Å; S617-Y635 VanDerWaalsContact O-CB 3.28Å; S617-Y635 WeakPolarHBondContact O-CB 3.43Å |
| 618 | A | 66.4 | Low | 64.6 | Low | 109 Ų | 109 | 118.5 Ų | 118.5 | 90% | 0.901 | 62% | 0.622 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -55.5 | -24.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | S616 V620 | S616-A618 PolarHBondContact O-N 2.91Å; A618-V620 PolarHBondContact O-N 3.38Å |
| 619 | T | 81.2 | Confident | 66.6 | Low | 89 Ų | 89 | 117.3 Ų | 117.3 | 55% | 0.546 | 61% | 0.61 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -60.8 | 119.6 | 166.2 | -37 | 0 | 0 | 0 | 0 | 111.7 | S617 Y635 | S617-T619 CarbonylContact O-C 3.59Å; S617-T619 PolarHBondContact O-N 2.99Å; S617-T619 PolarHBondContact OG-O 2.84Å; T619-Y635 PolarHBondContact O-N 3.37Å |
| 620 | V | 84.7 | Confident | 68.5 | Low | 72 Ų | 72 | 113.7 Ų | 113.7 | 44% | 0.436 | 61% | 0.611 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -59.2 | 141.6 | 166.8 | -176.7 | 0 | 0 | 0 | 0 | 109.7 | A618 R622 F624 Y635 | A618-V620 PolarHBondContact O-N 3.38Å; V620-R622 PolarHBondContact O-N 2.86Å; V620-F624 HydrophobicContact CG1-CB 4.41Å; V620-Y635 WeakPolarHBondContact CA-O 3.32Å; V620-Y635 HydrophobicContact CG2-CD1 4.2Å |
| 621 | C | 88.1 | Confident | 70.5 | Confident | 5 Ų | 5 | 114.9 Ų | 114.9 | 3% | 0.034 | 61% | 0.611 | C | S | . | * | P | Polyproline II helix | trans | -59 | 127 | 176.6 | -177.4 | 0 | 0 | 0 | 0 | 112.1 | F623 F624 C632 F634 Y635 H636 | C621-F623 PolarHBondContact O-N 2.87Å; C621-F623 VanDerWaalsContact O-N 3.11Å; C621-F623 PolarHBondContact SG-N 3.18Å; C621-F624 HydrophobicContact CB-CB 4.12Å; C621-F624 VanDerWaalsContact O-CB 3.24Å; C621-F624 WeakPolarHBondContact O-CB 3.3Å; C621-F624 PolarHBondContact O-N 3.22Å; C621-C632 VanDerWaalsContact SG-SG 3.62Å; C621-F634 VanDerWaalsContact CA-CB 3.48Å; C621-F634 HydrophobicContact CB-CB 3.56Å; C621-Y635 PolarHBondContact N-O 3.39Å; C621-H636 WeakPolarHBondContact CB-CD2 3.38Å; C621-H636 WeakPolarHBondContact CB-NE2 3Å; C621-H636 PolarHBondContact SG-NE2 3.04Å; C621-H636 VanDerWaalsContact SG-NE2 3.4Å |
| 622 | R | 83.3 | Confident | 72.5 | Confident | 230 Ų | 230 | 110.3 Ų | 110.3 | 87% | 0.868 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -18 | 178.5 | -62.2 | 179.2 | 68.9 | 108.9 | -1.3 | 114.1 | V620 | V620-R622 PolarHBondContact O-N 2.86Š|
| 623 | F | 81.9 | Confident | 74.4 | Confident | 156 Ų | 156 | 108.3 Ų | 108.3 | 68% | 0.684 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 8 | 178 | -58.7 | -78 | 0 | 0 | 0 | 112.9 | C621 E626 C627 | C621-F623 PolarHBondContact O-N 2.87Å; C621-F623 VanDerWaalsContact O-N 3.11Å; C621-F623 PolarHBondContact SG-N 3.18Å; F623-E626 CarbonylContact O-C 3.5Å; F623-E626 PolarHBondContact O-N 2.98Å; F623-C627 HydrophobicContact CB-CB 4.06Å; F623-C627 PolarHBondContact O-N 3.01Å |
| 624 | F | 79.8 | Confident | 76.4 | Confident | 55 Ų | 55 | 104.8 Ų | 104.8 | 24% | 0.241 | 56% | 0.556 | C | S | . | * | T | Hydrogen-bonded Turn | trans | -73.7 | 136.3 | 172.9 | -177.4 | -94.1 | 0 | 0 | 0 | 110.1 | V620 C621 H636 P637 Y654 | V620-F624 HydrophobicContact CG1-CB 4.41Å; C621-F624 HydrophobicContact CB-CB 4.12Å; C621-F624 VanDerWaalsContact O-CB 3.24Å; C621-F624 WeakPolarHBondContact O-CB 3.3Å; C621-F624 PolarHBondContact O-N 3.22Å; F624-H636 HydrophobicContact CD2-CB 4.07Å; F624-H636 AromaticContact CD2-CD2 3.61Å; F624-H636 HydrophobicContact CE2-CB 4.2Å; F624-P637 HydrophobicContact CD1-CG 4.24Å; F624-P637 HydrophobicContact CE1-CG 3.65Å; F624-P637 HydrophobicContact CE2-CG 4.2Å; F624-P637 HydrophobicContact CZ-CG 3.63Å; F624-Y654 HydrophobicContact CE1-CD1 4.28Å; F624-Y654 AromaticContact CE1-CD2 3.51Å; F624-Y654 HydrophobicContact CE1-CD2 3.51Å; F624-Y654 AromaticContact CE1-CE2 3.86Å; F624-Y654 HydrophobicContact CE1-CE2 3.86Å; F624-Y654 AromaticContact CE1-CG 3.74Å; F624-Y654 HydrophobicContact CE1-CG 3.74Å; F624-Y654 AromaticContact CZ-CD1 3.74Å; F624-Y654 HydrophobicContact CZ-CD1 3.74Å; F624-Y654 AromaticContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CE1 4.22Å; F624-Y654 HydrophobicContact CZ-CE2 4.29Å; F624-Y654 AromaticContact CZ-CG 3.49Å; F624-Y654 HydrophobicContact CZ-CG 3.49Å; F624-Y654 VanDerWaalsContact CZ-CG 3.49Å |
| 625 | P | 83.4 | Confident | 78.1 | Confident | 71 Ų | 71 | 101 Ų | 101 | 46% | 0.461 | 54% | 0.535 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -90.2 | -4.9 | 10.9 | 36.4 | -37.1 | 0 | 0 | 0 | 115.7 | C627 Y654 | P625-C627 VanDerWaalsContact C-N 3.31Å; P625-C627 PolarHBondContact O-N 2.82Å; P625-Y654 HydrophobicContact CB-CE1 4.23Å |
| 626 | E | 79.6 | Confident | 79.8 | Confident | 163 Ų | 163 | 98.8 Ų | 98.8 | 76% | 0.762 | 51% | 0.512 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | 7 | -169.6 | -63.8 | 179.9 | -153.7 | 0 | 0 | 114.9 | F623 K628 | F623-E626 CarbonylContact O-C 3.5Å; F623-E626 PolarHBondContact O-N 2.98Å; E626-K628 WeakPolarHBondContact O-CG 3.36Å; E626-K628 PolarHBondContact O-N 3.36Å |
| 627 | C | 84.7 | Confident | 81.1 | Confident | 30 Ų | 30 | 96.8 Ų | 96.8 | 20% | 0.203 | 50% | 0.498 | C | S | . | . | trans | -67.8 | 105.1 | -173.8 | -166.1 | 0 | 0 | 0 | 0 | 112.1 | F623 P625 K629 C632 H636 | F623-C627 HydrophobicContact CB-CB 4.06Å; F623-C627 PolarHBondContact O-N 3.01Å; P625-C627 VanDerWaalsContact C-N 3.31Å; P625-C627 PolarHBondContact O-N 2.82Å; C627-K629 VanDerWaalsContact C-N 3.27Å; C627-K629 PolarHBondContact O-N 3.41Å; C627-C632 VanDerWaalsContact SG-SG 3.7Å; C627-H636 WeakPolarHBondContact CB-NE2 3.26Å | ||
| 628 | K | 82.2 | Confident | 82.2 | Confident | 205 Ų | 205 | 102.3 Ų | 102.3 | 89% | 0.891 | 52% | 0.517 | S | S | * | . | trans | -78.9 | 0.4 | -179.5 | -58.2 | 178 | -173.8 | 171.8 | 0 | 114.6 | E626 | E626-K628 WeakPolarHBondContact O-CG 3.36Å; E626-K628 PolarHBondContact O-N 3.36Å | ||
| 629 | K | 81.6 | Confident | 83.1 | Confident | 150 Ų | 150 | 101.6 Ų | 101.6 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | trans | -82.5 | 116.4 | 176.4 | -71.8 | -179 | 179.1 | -73.5 | 0 | 109.5 | C627 C632 | C627-K629 VanDerWaalsContact C-N 3.27Å; C627-K629 PolarHBondContact O-N 3.41Å; K629-C632 HydrophobicContact CB-CB 4.39Å | ||
| 630 | V | 78.4 | Confident | 83.3 | Confident | 137 Ų | 137 | 98 Ų | 98 | 83% | 0.83 | 48% | 0.482 | S | S | * | . | S | Bend | trans | -62.5 | -48.3 | 179.9 | -68.1 | 0 | 0 | 0 | 0 | 111.8 | C632 | V630-C632 PolarHBondContact O-N 3.23Š|
| 631 | D | 80.4 | Confident | 83.3 | Confident | 145 Ų | 145 | 105.3 Ų | 105.3 | 78% | 0.775 | 50% | 0.502 | S | S | * | . | S | Bend | trans | -97.2 | 69.1 | 174.4 | -59.1 | -64.2 | 0 | 0 | 0 | 110.2 | ||
| 632 | C | 84.3 | Confident | 82.8 | Confident | 24 Ų | 24 | 110.8 Ų | 110.8 | 16% | 0.162 | 53% | 0.525 | C | S | . | . | trans | -80.2 | 128.3 | 173.8 | -163.7 | 0 | 0 | 0 | 0 | 110.4 | C621 C627 K629 V630 F634 H636 | C621-C632 VanDerWaalsContact SG-SG 3.62Å; C627-C632 VanDerWaalsContact SG-SG 3.7Å; K629-C632 HydrophobicContact CB-CB 4.39Å; V630-C632 PolarHBondContact O-N 3.23Å; C632-F634 PolarHBondContact O-N 3.45Å; C632-H636 WeakPolarHBondContact CB-CE1 3.45Å | ||
| 633 | P | 83.8 | Confident | 82.7 | Confident | 88 Ų | 88 | 101.1 Ų | 101.1 | 57% | 0.571 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -73.3 | -11.4 | 179.7 | 29.7 | -35.6 | 0 | 0 | 0 | 113.8 | S617 | S617-P633 PolarHBondContact N-O 3.48Š|
| 634 | F | 84.4 | Confident | 82.5 | Confident | 92 Ų | 92 | 97.7 Ų | 97.7 | 40% | 0.404 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 151.2 | 178.9 | -59.1 | -81.7 | 0 | 0 | 0 | 111.5 | S617 C621 C632 H636 | S617-F634 WeakPolarHBondContact OG-CD1 3.4Å; C621-F634 VanDerWaalsContact CA-CB 3.48Å; C621-F634 HydrophobicContact CB-CB 3.56Å; C632-F634 PolarHBondContact O-N 3.45Å; F634-H636 PolarHBondContact O-N 2.82Å |
| 635 | Y | 85.8 | Confident | 82.4 | Confident | 94 Ų | 94 | 101 Ų | 101 | 37% | 0.369 | 50% | 0.503 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.3 | 131.4 | -174.5 | 174.5 | -108.4 | 0 | 0 | 0 | 113.1 | S617 T619 V620 C621 P637 | S617-Y635 VanDerWaalsContact O-CB 3.28Å; S617-Y635 WeakPolarHBondContact O-CB 3.43Å; T619-Y635 PolarHBondContact O-N 3.37Å; V620-Y635 WeakPolarHBondContact CA-O 3.32Å; V620-Y635 HydrophobicContact CG2-CD1 4.2Å; C621-Y635 PolarHBondContact N-O 3.39Å; Y635-P637 HydrophobicContact CE1-CB 3.79Å; Y635-P637 HydrophobicContact CE1-CG 4.34Å |
| 636 | H | 83.3 | Confident | 82.4 | Confident | 60 Ų | 60 | 98.9 Ų | 98.9 | 28% | 0.278 | 49% | 0.489 | S | S | . | . | trans | -111.3 | 109.3 | 171.5 | -69.4 | 159.6 | 0 | 0 | 0 | 109.7 | C621 F624 C627 C632 F634 K638 | C621-H636 WeakPolarHBondContact CB-CD2 3.38Å; C621-H636 WeakPolarHBondContact CB-NE2 3Å; C621-H636 PolarHBondContact SG-NE2 3.04Å; C621-H636 VanDerWaalsContact SG-NE2 3.4Å; F624-H636 HydrophobicContact CD2-CB 4.07Å; F624-H636 AromaticContact CD2-CD2 3.61Å; F624-H636 HydrophobicContact CE2-CB 4.2Å; C627-H636 WeakPolarHBondContact CB-NE2 3.26Å; C632-H636 WeakPolarHBondContact CB-CE1 3.45Å; F634-H636 PolarHBondContact O-N 2.82Å; H636-K638 PolarHBondContact O-N 2.84Å | ||
| 637 | P | 84.9 | Confident | 82.6 | Confident | 21 Ų | 21 | 101.3 Ų | 101.3 | 14% | 0.136 | 50% | 0.497 | C | S | . | . | P | Polyproline II helix | trans | -65.3 | 127.1 | 178.6 | 22.8 | -29.9 | 0 | 0 | 0 | 111.3 | F624 Y635 Y654 | F624-P637 HydrophobicContact CD1-CG 4.24Å; F624-P637 HydrophobicContact CE1-CG 3.65Å; F624-P637 HydrophobicContact CE2-CG 4.2Å; F624-P637 HydrophobicContact CZ-CG 3.63Å; Y635-P637 HydrophobicContact CE1-CB 3.79Å; Y635-P637 HydrophobicContact CE1-CG 4.34Å; P637-Y654 WeakPolarHBondContact O-CB 3.35Å |
| 638 | K | 84 | Confident | 82.7 | Confident | 152 Ų | 152 | 108.9 Ų | 108.9 | 66% | 0.661 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -60.5 | 141.4 | -179 | -69.1 | 171.9 | -177.9 | 170.5 | 0 | 110.5 | H636 F653 Y654 | H636-K638 PolarHBondContact O-N 2.84Å; K638-F653 HydrophobicContact CB-CD1 4.05Å; K638-F653 HydrophobicContact CB-CE1 4.35Å; K638-F653 CarbonylContact O-C 3.53Å; K638-F653 WeakPolarHBondContact O-CA 3.46Å; K638-F653 WeakPolarHBondContact O-CB 3.29Å; K638-Y654 PolarHBondContact O-N 3.26Å |
| 639 | P | 85 | Confident | 82.5 | Confident | 95 Ų | 95 | 103.9 Ų | 103.9 | 62% | 0.617 | 52% | 0.518 | S | S | * | . | B | Isolated β-bridge | trans | -65.1 | 138 | 179.6 | 26.8 | -34.5 | 0 | 0 | 0 | 111.3 | Y654 | P639-Y654 WeakPolarHBondContact CA-O 3.45Å |
| 640 | C | 85.8 | Confident | 82.3 | Confident | 13 Ų | 13 | 100.1 Ų | 100.1 | 9% | 0.088 | 52% | 0.523 | C | S | . | . | P | Polyproline II helix | trans | -68.3 | 132.9 | 178.3 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | F642 A643 F653 Y654 H655 | C640-F642 PolarHBondContact O-N 2.78Å; C640-F642 PolarHBondContact SG-N 3.01Å; C640-A643 PolarHBondContact O-N 2.84Å; C640-F653 HydrophobicContact CB-CB 3.64Å; C640-Y654 PolarHBondContact N-O 3.42Å; C640-H655 WeakPolarHBondContact CB-CD2 3.33Å |
| 641 | R | 84 | Confident | 82.5 | Confident | 226 Ų | 226 | 95.2 Ų | 95.2 | 85% | 0.853 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.2 | -25.5 | 175.3 | 174.9 | 174.7 | 169.3 | 178 | -4 | 113.8 | ||
| 642 | F | 78.5 | Confident | 82.5 | Confident | 120 Ų | 120 | 93.6 Ų | 93.6 | 53% | 0.526 | 49% | 0.489 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -105 | -7.2 | -179 | -56 | -78.1 | 0 | 0 | 0 | 113.5 | C640 T644 Q645 C646 | C640-F642 PolarHBondContact O-N 2.78Å; C640-F642 PolarHBondContact SG-N 3.01Å; F642-T644 PolarHBondContact O-N 3.48Å; F642-Q645 WeakPolarHBondContact O-CA 3.44Å; F642-Q645 VanDerWaalsContact O-CB 3.31Å; F642-Q645 WeakPolarHBondContact O-CB 3.47Å; F642-Q645 PolarHBondContact O-N 2.86Å; F642-C646 HydrophobicContact CB-CB 3.84Å |
| 643 | A | 80.9 | Confident | 82.5 | Confident | 27 Ų | 27 | 97.3 Ų | 97.3 | 22% | 0.223 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | 42.3 | -128 | -177 | 0 | 0 | 0 | 0 | 0 | 112.7 | C640 Q645 C646 P656 | C640-A643 PolarHBondContact O-N 2.84Å; A643-Q645 PolarHBondContact O-N 3.35Å; A643-Q645 VanDerWaalsContact O-N 3.15Å; A643-C646 VanDerWaalsContact O-CB 3.27Å; A643-C646 WeakPolarHBondContact O-CB 3.39Å; A643-C646 PolarHBondContact O-N 3.25Å; A643-C646 VanDerWaalsContact O-N 3.09Å; A643-P656 HydrophobicContact CB-CG 4.25Å |
| 644 | T | 78 | Confident | 82.6 | Confident | 83 Ų | 83 | 96.5 Ų | 96.5 | 51% | 0.509 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -61.1 | -16.9 | 177.1 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | F642 C646 P656 | F642-T644 PolarHBondContact O-N 3.48Å; T644-C646 VanDerWaalsContact C-N 3.32Å; T644-P656 WeakPolarHBondContact CG2-O 3.31Å |
| 645 | Q | 76.9 | Confident | 82.4 | Confident | 126 Ų | 126 | 95.3 Ų | 95.3 | 59% | 0.589 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -88.6 | 4.2 | 177 | -52.9 | -178.9 | -4.3 | 0 | 0 | 112.7 | F642 A643 K647 | F642-Q645 WeakPolarHBondContact O-CA 3.44Å; F642-Q645 VanDerWaalsContact O-CB 3.31Å; F642-Q645 WeakPolarHBondContact O-CB 3.47Å; F642-Q645 PolarHBondContact O-N 2.86Å; A643-Q645 PolarHBondContact O-N 3.35Å; A643-Q645 VanDerWaalsContact O-N 3.15Å; Q645-K647 PolarHBondContact O-N 3.47Å; Q645-K647 VanDerWaalsContact O-N 3.07Å |
| 646 | C | 84.2 | Confident | 81.8 | Confident | 25 Ų | 25 | 92 Ų | 92 | 17% | 0.169 | 48% | 0.475 | C | S | . | . | trans | -75.4 | 95.8 | -179.7 | -164.3 | 0 | 0 | 0 | 0 | 112.3 | F642 A643 T644 R648 H655 | F642-C646 HydrophobicContact CB-CB 3.84Å; A643-C646 VanDerWaalsContact O-CB 3.27Å; A643-C646 WeakPolarHBondContact O-CB 3.39Å; A643-C646 PolarHBondContact O-N 3.25Å; A643-C646 VanDerWaalsContact O-N 3.09Å; T644-C646 VanDerWaalsContact C-N 3.32Å; C646-R648 PolarHBondContact O-N 3.33Å; C646-H655 WeakPolarHBondContact CB-NE2 3.22Å | ||
| 647 | K | 84.1 | Confident | 80.9 | Confident | 214 Ų | 214 | 95.4 Ų | 95.4 | 93% | 0.93 | 50% | 0.5 | S | S | * | . | trans | -71.3 | 13.7 | 177.2 | -56.5 | -171.6 | 179.3 | -172.9 | 0 | 115 | Q645 | Q645-K647 PolarHBondContact O-N 3.47Å; Q645-K647 VanDerWaalsContact O-N 3.07Å | ||
| 648 | R | 85.4 | Confident | 79.8 | Confident | 189 Ų | 189 | 100 Ų | 100 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | trans | -96.5 | 105.7 | -176.3 | -173.6 | 171.8 | -173.1 | 139.2 | 4 | 110.7 | C646 G650 C651 | C646-R648 PolarHBondContact O-N 3.33Å; R648-G650 PolarHBondContact O-N 3.09Å; R648-C651 WeakPolarHBondContact O-CB 3.46Å; R648-C651 PolarHBondContact O-N 3.15Å | ||
| 649 | A | 78.6 | Confident | 78.5 | Confident | 100 Ų | 100 | 96.3 Ų | 96.3 | 83% | 0.826 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | 135.7 | 164.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||
| 650 | G | 78.5 | Confident | 77.3 | Confident | 72 Ų | 72 | 97.1 Ų | 97.1 | 74% | 0.742 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71 | 29.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115 | R648 T652 | R648-G650 PolarHBondContact O-N 3.09Å; G650-T652 PolarHBondContact O-N 2.76Å |
| 651 | C | 82.7 | Confident | 75.9 | Confident | 34 Ų | 34 | 100.2 Ų | 100.2 | 23% | 0.23 | 55% | 0.548 | C | S | . | . | trans | -66.2 | 122.1 | 170.5 | -169.4 | 0 | 0 | 0 | 0 | 111 | R648 F653 H655 | R648-C651 WeakPolarHBondContact O-CB 3.46Å; R648-C651 PolarHBondContact O-N 3.15Å; C651-F653 VanDerWaalsContact C-N 3.27Å; C651-F653 PolarHBondContact O-N 3.24Å; C651-H655 PolarHBondContact SG-NE2 3.04Å | ||
| 652 | T | 80.6 | Confident | 74.8 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 68% | 0.681 | 52% | 0.522 | S | S | * | . | trans | -84.7 | 6 | -179.8 | 52.2 | 0 | 0 | 0 | 0 | 114.2 | G650 | G650-T652 PolarHBondContact O-N 2.76Š| ||
| 653 | F | 83.6 | Confident | 73.7 | Confident | 102 Ų | 102 | 97.6 Ų | 97.6 | 45% | 0.447 | 54% | 0.541 | S | S | . | . | S | Bend | trans | -105.8 | 145.3 | -179.5 | -65.2 | -88.7 | 0 | 0 | 0 | 110.6 | K638 C640 C651 H655 | K638-F653 HydrophobicContact CB-CD1 4.05Å; K638-F653 HydrophobicContact CB-CE1 4.35Å; K638-F653 CarbonylContact O-C 3.53Å; K638-F653 WeakPolarHBondContact O-CA 3.46Å; K638-F653 WeakPolarHBondContact O-CB 3.29Å; C640-F653 HydrophobicContact CB-CB 3.64Å; C651-F653 VanDerWaalsContact C-N 3.27Å; C651-F653 PolarHBondContact O-N 3.24Å; F653-H655 PolarHBondContact O-CD2 3.3Å; F653-H655 VanDerWaalsContact O-CD2 3.23Å; F653-H655 PolarHBondContact O-N 2.97Å |
| 654 | Y | 85.9 | Confident | 72.7 | Confident | 71 Ų | 71 | 102.7 Ų | 102.7 | 28% | 0.278 | 56% | 0.56 | S | S | . | * | B | Isolated β-bridge | trans | -65.2 | 132 | -176 | 170.9 | -119.2 | 0 | 0 | 0 | 112.6 | F624 P625 P637 K638 P639 C640 P656 | F624-Y654 HydrophobicContact CE1-CD1 4.28Å; F624-Y654 AromaticContact CE1-CD2 3.51Å; F624-Y654 HydrophobicContact CE1-CD2 3.51Å; F624-Y654 AromaticContact CE1-CE2 3.86Å; F624-Y654 HydrophobicContact CE1-CE2 3.86Å; F624-Y654 AromaticContact CE1-CG 3.74Å; F624-Y654 HydrophobicContact CE1-CG 3.74Å; F624-Y654 AromaticContact CZ-CD1 3.74Å; F624-Y654 HydrophobicContact CZ-CD1 3.74Å; F624-Y654 AromaticContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CD2 3.8Å; F624-Y654 HydrophobicContact CZ-CE1 4.22Å; F624-Y654 HydrophobicContact CZ-CE2 4.29Å; F624-Y654 AromaticContact CZ-CG 3.49Å; F624-Y654 HydrophobicContact CZ-CG 3.49Å; F624-Y654 VanDerWaalsContact CZ-CG 3.49Å; P625-Y654 HydrophobicContact CB-CE1 4.23Å; P637-Y654 WeakPolarHBondContact O-CB 3.35Å; K638-Y654 PolarHBondContact O-N 3.26Å; P639-Y654 WeakPolarHBondContact CA-O 3.45Å; C640-Y654 PolarHBondContact N-O 3.42Å; Y654-P656 HydrophobicContact CE1-CB 3.8Å; Y654-P656 HydrophobicContact CE1-CG 4.36Å; Y654-P656 WeakPolarHBondContact O-CD 3.38Å |
| 655 | H | 79.7 | Confident | 71.7 | Confident | 67 Ų | 67 | 101.7 Ų | 101.7 | 31% | 0.31 | 56% | 0.56 | S | S | . | * | trans | -105.8 | 102.7 | 174.5 | -65.2 | 174.8 | 0 | 0 | 0 | 109.1 | C640 C646 C651 F653 T657 | C640-H655 WeakPolarHBondContact CB-CD2 3.33Å; C646-H655 WeakPolarHBondContact CB-NE2 3.22Å; C651-H655 PolarHBondContact SG-NE2 3.04Å; F653-H655 PolarHBondContact O-CD2 3.3Å; F653-H655 VanDerWaalsContact O-CD2 3.23Å; F653-H655 PolarHBondContact O-N 2.97Å; H655-T657 PolarHBondContact O-N 3.34Å | ||
| 656 | P | 74.1 | Confident | 71.3 | Confident | 25 Ų | 25 | 101.1 Ų | 101.1 | 16% | 0.162 | 56% | 0.56 | C | S | . | * | trans | -68.2 | 124.4 | 171.5 | 27 | -32.4 | 0 | 0 | 0 | 109.8 | A643 T644 Y654 T658 | A643-P656 HydrophobicContact CB-CG 4.25Å; T644-P656 WeakPolarHBondContact CG2-O 3.31Å; Y654-P656 HydrophobicContact CE1-CB 3.8Å; Y654-P656 HydrophobicContact CE1-CG 4.36Å; Y654-P656 WeakPolarHBondContact O-CD 3.38Å; P656-T658 VanDerWaalsContact C-N 3.3Å; P656-T658 PolarHBondContact O-N 3.45Å | ||
| 657 | T | 63.2 | Low | 70.4 | Confident | 131 Ų | 131 | 107.6 Ų | 107.6 | 80% | 0.804 | 59% | 0.585 | S | S | * | * | S | Bend | trans | -64.3 | -36.1 | 177.7 | -45.4 | 0 | 0 | 0 | 0 | 111.6 | H655 A659 | H655-T657 PolarHBondContact O-N 3.34Å; T657-A659 PolarHBondContact O-N 3.24Å |
| 658 | T | 62.7 | Low | 69.1 | Low | 118 Ų | 118 | 106.1 Ų | 106.1 | 72% | 0.724 | 57% | 0.574 | S | S | * | * | S | Bend | trans | -66.9 | 115.7 | 173.7 | -40.6 | 0 | 0 | 0 | 0 | 109.6 | P656 V660 | P656-T658 VanDerWaalsContact C-N 3.3Å; P656-T658 PolarHBondContact O-N 3.45Å; T658-V660 VanDerWaalsContact C-N 3.31Å; T658-V660 PolarHBondContact O-N 3.03Å |
| 659 | A | 56.3 | Low | 68.2 | Low | 73 Ų | 73 | 102.7 Ų | 102.7 | 60% | 0.603 | 57% | 0.574 | S | S | * | * | trans | -71.6 | 80.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | T657 P661 | T657-A659 PolarHBondContact O-N 3.24Å; A659-P661 WeakPolarHBondContact O-CD 3.35Å | ||
| 660 | V | 59.6 | Low | 67.1 | Low | 113 Ų | 113 | 107.4 Ų | 107.4 | 69% | 0.685 | 58% | 0.576 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 119.7 | 165.6 | 179.7 | 0 | 0 | 0 | 0 | 107.7 | T658 | T658-V660 VanDerWaalsContact C-N 3.31Å; T658-V660 PolarHBondContact O-N 3.03Å |
| 661 | P | 55.6 | Low | 66 | Low | 77 Ų | 77 | 110.8 Ų | 110.8 | 50% | 0.5 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -58.3 | 140.1 | -171.8 | -26.9 | 34.8 | 0 | 0 | 0 | 111.7 | A659 A665 L666 | A659-P661 WeakPolarHBondContact O-CD 3.35Å; P661-A665 HydrophobicContact CB-CB 4.15Å; P661-L666 HydrophobicContact CB-CD1 3.91Å; P661-L666 VanDerWaalsContact O-CD1 3.22Å; P661-L666 WeakPolarHBondContact O-CD1 3.39Å |
| 662 | P | 61 | Low | 64.5 | Low | 47 Ų | 47 | 120.8 Ų | 120.8 | 31% | 0.305 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -54.9 | 146.4 | 178.7 | -26.4 | 34.5 | 0 | 0 | 0 | 111.4 | H664 A665 L666 | P662-H664 WeakPolarHBondContact CB-CE1 3.27Å; P662-H664 PolarHBondContact O-N 3.38Å; P662-A665 WeakPolarHBondContact O-CB 3.48Å; P662-A665 PolarHBondContact O-N 3Å; P662-L666 WeakPolarHBondContact O-CD1 3.42Å |
| 663 | R | 56.3 | Low | 63 | Low | 245 Ų | 245 | 120 Ų | 120 | 93% | 0.925 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.1 | -15.4 | -179.2 | -87.9 | -170.9 | 172 | -135.1 | 0.8 | 115.4 | ||
| 664 | H | 59.6 | Low | 61.4 | Low | 134 Ų | 134 | 119.9 Ų | 119.9 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.6 | -23.5 | 172.5 | 59.5 | -116.2 | 0 | 0 | 0 | 114 | P662 K667 | P662-H664 WeakPolarHBondContact CB-CE1 3.27Å; P662-H664 PolarHBondContact O-N 3.38Å; H664-K667 WeakPolarHBondContact O-CG 3.34Å |
| 665 | A | 58.3 | Low | 59.2 | Low | 62 Ų | 62 | 127.7 Ų | 127.7 | 51% | 0.512 | 68% | 0.679 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.7 | -26.6 | 177 | 0 | 0 | 0 | 0 | 0 | 112.5 | P661 P662 K667 | P661-A665 HydrophobicContact CB-CB 4.15Å; P662-A665 WeakPolarHBondContact O-CB 3.48Å; P662-A665 PolarHBondContact O-N 3Å; A665-K667 PolarHBondContact O-N 3.07Å |
| 666 | L | 68.3 | Low | 58.2 | Low | 113 Ų | 113 | 130.7 Ų | 130.7 | 59% | 0.592 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -78.4 | 31.7 | 170.4 | -63.4 | 91.4 | 0 | 0 | 0 | 112.7 | P661 P662 | P661-L666 HydrophobicContact CB-CD1 3.91Å; P661-L666 VanDerWaalsContact O-CD1 3.22Å; P661-L666 WeakPolarHBondContact O-CD1 3.39Å; P662-L666 WeakPolarHBondContact O-CD1 3.42Å |
| 667 | K | 64.1 | Low | 57.4 | Low | 161 Ų | 161 | 136.3 Ų | 136.3 | 70% | 0.7 | 73% | 0.726 | S | S | * | * | trans | -84.6 | 118.7 | 170 | -86.3 | -175.5 | 170.1 | -172.6 | 0 | 108.8 | H664 A665 T669 | H664-K667 WeakPolarHBondContact O-CG 3.34Å; A665-K667 PolarHBondContact O-N 3.07Å; K667-T669 PolarHBondContact O-N 3.05Å | ||
| 668 | W | 57.2 | Low | 57 | Low | 184 Ų | 184 | 136.6 Ų | 136.6 | 70% | 0.697 | 72% | 0.721 | S | S | * | * | trans | -67.4 | 100.4 | 171.9 | -67.6 | 65 | 0 | 0 | 0 | 109.7 | ||||
| 669 | T | 66.1 | Low | 56.7 | Low | 116 Ų | 116 | 137.6 Ų | 137.6 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 131.4 | 159.9 | 40.2 | 0 | 0 | 0 | 0 | 108.5 | K667 | K667-T669 PolarHBondContact O-N 3.05Š|
| 670 | K | 55.5 | Low | 56.7 | Low | 199 Ų | 199 | 141.7 Ų | 141.7 | 87% | 0.865 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -80.2 | 117.6 | 169.1 | 177.9 | -179.4 | 177.8 | -179.6 | 0 | 107.3 | R672 | K670-R672 PolarHBondContact O-N 3.4Š|
| 671 | D | 56.4 | Low | 56.5 | Low | 144 Ų | 144 | 143.6 Ų | 143.6 | 77% | 0.77 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 125.1 | 174.3 | -61 | -55.4 | 0 | 0 | 0 | 109.8 | A673 | D671-A673 PolarHBondContact O-N 3.27Š|
| 672 | R | 50.6 | Low | 56.6 | Low | 244 Ų | 244 | 148.4 Ų | 148.4 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -90.8 | 95.6 | 175 | -166.1 | 176.8 | -171.8 | -177 | 1.1 | 105.9 | K670 A674 | K670-R672 PolarHBondContact O-N 3.4Å; R672-A674 PolarHBondContact O-N 3.31Å | ||
| 673 | A | 49.6 | Very low | 56.3 | Low | 94 Ų | 94 | 156.2 Ų | 156.2 | 78% | 0.777 | 78% | 0.782 | S | S | * | * | trans | -46.9 | 130.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | D671 | D671-A673 PolarHBondContact O-N 3.27Š| ||
| 674 | A | 49.9 | Very low | 56.3 | Low | 100 Ų | 100 | 148.8 Ų | 148.8 | 83% | 0.826 | 77% | 0.77 | S | S | * | * | trans | -69.3 | 160.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | R672 | R672-A674 PolarHBondContact O-N 3.31Š| ||
| 675 | N | 39.6 | Very low | 56 | Low | 234 Ų | 234 | 150.1 Ų | 150.1 | 100% | 1.251 | 78% | 0.784 | S | S | * | * | trans | -74.1 | 0 | -173.3 | -174.4 | 95 | 0 | 0 | 0 | 112.6 |
Retrieved 675 of 675 residues in 415.4 ms
(Link to these results)