| 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 | 46.7 | Very low | 76.4 | Confident | 220 Ų | 220 | 100.1 Ų | 100.1 | 100% | 1.084 | 51% | 0.511 | S | S | * | . | 0 | 74.2 | 0 | -177.2 | 168.4 | 72.7 | 0 | 0 | 108.4 | |||||
| 2 | E | 50.2 | Low | 77.7 | Confident | 149 Ų | 149 | 98.2 Ų | 98.2 | 70% | 0.696 | 49% | 0.493 | S | S | * | . | trans | -116.9 | -22.5 | -161.1 | -69.8 | 160 | -178 | 0 | 0 | 113.4 | G4 T5 E6 | E2-G4 PolarHBondContact O-N 3.33Å; E2-T5 PolarHBondContact O-N 2.84Å; E2-T5 PolarHBondContact O-OG1 3.49Å; E2-E6 PolarHBondContact O-N 3.32Å; E2-E6 VanDerWaalsContact O-N 3.17Å | ||
| 3 | I | 56.4 | Low | 78.9 | Confident | 133 Ų | 133 | 96.8 Ų | 96.8 | 68% | 0.682 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -52.2 | -42.5 | 176.4 | -60.1 | 97.9 | 0 | 0 | 0 | 111.2 | T5 I7 | I3-T5 PolarHBondContact O-N 3.05Å; I3-I7 HydrophobicContact CG2-CD1 3.69Å; I3-I7 HydrophobicContact CG2-CG1 4.48Å; I3-I7 WeakPolarHBondContact O-CB 3.47Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.45Å; I3-I7 PolarHBondContact O-N 3.24Å |
| 4 | G | 73.6 | Confident | 80 | Confident | 43 Ų | 43 | 93 Ų | 93 | 44% | 0.443 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.9 | -32.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | E2 S8 | E2-G4 PolarHBondContact O-N 3.33Å; G4-S8 WeakPolarHBondContact O-CB 3.42Å; G4-S8 PolarHBondContact O-N 3.37Å; G4-S8 PolarHBondContact O-OG 3.22Å |
| 5 | T | 81.3 | Confident | 81 | Confident | 87 Ų | 87 | 86.9 Ų | 86.9 | 53% | 0.534 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -80.7 | -32.3 | -178.5 | 60.1 | 0 | 0 | 0 | 0 | 111.6 | E2 I3 R9 | E2-T5 PolarHBondContact O-N 2.84Å; E2-T5 PolarHBondContact O-OG1 3.49Å; I3-T5 PolarHBondContact O-N 3.05Å; T5-R9 WeakPolarHBondContact O-CB 3.41Å; T5-R9 PolarHBondContact O-N 2.81Å |
| 6 | E | 85.3 | Confident | 81.7 | Confident | 69 Ų | 69 | 85.9 Ų | 85.9 | 32% | 0.322 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 169.5 | -171.6 | 59.7 | -133.3 | 0 | 0 | 111.5 | E2 S8 R9 K10 | E2-E6 PolarHBondContact O-N 3.32Å; E2-E6 VanDerWaalsContact O-N 3.17Å; E6-S8 PolarHBondContact O-N 2.83Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE1-CZ 2.7Å; E6-R9 IonicContact OE1-NH1 2.7Å; E6-R9 PolarHBondContact OE1-NH1 3.47Å; E6-R9 VanDerWaalsContact OE1-NH1 3.08Å; E6-R9 IonicContact OE2-CZ 3.97Å; E6-R9 IonicContact OE2-NH1 2.63Å; E6-R9 PolarHBondContact OE2-NH1 3.02Å; E6-R9 IonicContact OE2-NH2 3.59Å; E6-R9 PolarHBondContact OE2-NH2 2.99Å; E6-K10 PolarHBondContact O-N 2.88Å; E6-K10 VanDerWaalsContact OE1-CE 3.29Å; E6-K10 WeakPolarHBondContact OE1-CE 3.46Å |
| 7 | I | 85.8 | Confident | 82.4 | Confident | 58 Ų | 58 | 83.1 Ų | 83.1 | 30% | 0.297 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -59.8 | -46.8 | 176.6 | -70.3 | 169 | 0 | 0 | 0 | 110.7 | I3 R9 K10 I11 | I3-I7 HydrophobicContact CG2-CD1 3.69Å; I3-I7 HydrophobicContact CG2-CG1 4.48Å; I3-I7 WeakPolarHBondContact O-CB 3.47Å; I3-I7 VanDerWaalsContact O-CG1 3.24Å; I3-I7 WeakPolarHBondContact O-CG1 3.45Å; I3-I7 PolarHBondContact O-N 3.24Å; I7-R9 VanDerWaalsContact C-N 3.3Å; I7-R9 PolarHBondContact O-N 2.69Å; I7-K10 PolarHBondContact O-N 3.2Å; I7-I11 HydrophobicContact CG2-CD1 3.71Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 2.88Å |
| 8 | S | 87.4 | Confident | 83 | Confident | 51 Ų | 51 | 80.8 Ų | 80.8 | 36% | 0.357 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -60.9 | -37.6 | 177 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | G4 E6 I11 R12 M35 | G4-S8 WeakPolarHBondContact O-CB 3.42Å; G4-S8 PolarHBondContact O-N 3.37Å; G4-S8 PolarHBondContact O-OG 3.22Å; E6-S8 PolarHBondContact O-N 2.83Å; S8-I11 PolarHBondContact O-N 2.94Å; S8-R12 PolarHBondContact O-N 3.05Å; S8-M35 VanDerWaalsContact O-SD 3.35Å |
| 9 | R | 91 | Very high | 83.6 | Confident | 134 Ų | 134 | 76.5 Ų | 76.5 | 51% | 0.506 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -64.8 | -43.3 | 175.6 | -153.8 | -169.9 | -44.4 | 119 | 16.5 | 111.7 | T5 E6 I7 R12 S13 | T5-R9 WeakPolarHBondContact O-CB 3.41Å; T5-R9 PolarHBondContact O-N 2.81Å; E6-R9 PolarHBondContact O-N 2.88Å; E6-R9 IonicContact OE1-CZ 2.7Å; E6-R9 IonicContact OE1-NH1 2.7Å; E6-R9 PolarHBondContact OE1-NH1 3.47Å; E6-R9 VanDerWaalsContact OE1-NH1 3.08Å; E6-R9 IonicContact OE2-CZ 3.97Å; E6-R9 IonicContact OE2-NH1 2.63Å; E6-R9 PolarHBondContact OE2-NH1 3.02Å; E6-R9 IonicContact OE2-NH2 3.59Å; E6-R9 PolarHBondContact OE2-NH2 2.99Å; I7-R9 VanDerWaalsContact C-N 3.3Å; I7-R9 PolarHBondContact O-N 2.69Å; R9-R12 PolarHBondContact O-N 2.93Å; R9-S13 PolarHBondContact O-N 3.28Å; R9-S13 PolarHBondContact O-OG 2.79Å |
| 10 | K | 91.1 | Very high | 83.9 | Confident | 134 Ų | 134 | 79.9 Ų | 79.9 | 58% | 0.583 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -65.2 | -41 | 176.4 | -70.6 | 179.1 | 179.7 | 179.4 | 0 | 112.2 | E6 I7 S13 A14 | E6-K10 PolarHBondContact O-N 2.88Å; E6-K10 VanDerWaalsContact OE1-CE 3.29Å; E6-K10 WeakPolarHBondContact OE1-CE 3.46Å; I7-K10 PolarHBondContact O-N 3.2Å; K10-S13 PolarHBondContact O-N 2.85Å; K10-A14 WeakPolarHBondContact O-CB 3.21Å; K10-A14 PolarHBondContact O-N 2.91Å |
| 11 | I | 92 | Very high | 84.4 | Confident | 23 Ų | 23 | 82.3 Ų | 82.3 | 12% | 0.118 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.6 | -48.1 | 172.9 | -69.4 | 167.9 | 0 | 0 | 0 | 110.5 | I7 S8 S13 A14 I15 M35 L70 L73 | I7-I11 HydrophobicContact CG2-CD1 3.71Å; I7-I11 HydrophobicContact CG2-CG1 4.33Å; I7-I11 WeakPolarHBondContact O-CG1 3.41Å; I7-I11 PolarHBondContact O-N 2.88Å; S8-I11 PolarHBondContact O-N 2.94Å; I11-S13 PolarHBondContact O-N 3.12Å; I11-A14 PolarHBondContact O-N 3.38Å; I11-I15 HydrophobicContact CG2-CD1 3.63Å; I11-I15 HydrophobicContact CG2-CG1 4.39Å; I11-I15 WeakPolarHBondContact O-CB 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.34Å; I11-M35 HydrophobicContact CG2-SD 4.32Å; I11-L70 HydrophobicContact CD1-CD2 4.22Å; I11-L73 HydrophobicContact CD1-CD1 3.85Å; I11-L73 HydrophobicContact CG1-CD1 3.7Å |
| 12 | R | 92.3 | Very high | 86.4 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 29% | 0.291 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -58.3 | -44.9 | 177.2 | -173.3 | -178.1 | 177.7 | 148.6 | 8.7 | 112.4 | S8 R9 I15 K16 E28 P31 D32 M35 | S8-R12 PolarHBondContact O-N 3.05Å; R9-R12 PolarHBondContact O-N 2.93Å; R12-I15 PolarHBondContact O-N 3.37Å; R12-K16 PolarHBondContact O-N 3.12Å; R12-E28 PolarHBondContact NH2-O 3.37Å; R12-P31 HydrophobicContact CG-CB 3.96Å; R12-D32 IonicContact CZ-OD1 3.44Å; R12-D32 VanDerWaalsContact CZ-OD1 3.28Å; R12-D32 IonicContact CZ-OD2 3.13Å; R12-D32 IonicContact NE-OD1 3.82Å; R12-D32 IonicContact NH1-OD1 2.69Å; R12-D32 PolarHBondContact NH1-OD1 3.44Å; R12-D32 IonicContact NH1-OD2 2.59Å; R12-D32 PolarHBondContact NH1-OD2 2.87Å; R12-D32 VanDerWaalsContact NH2-CG 3.35Å; R12-D32 IonicContact NH2-OD1 3.9Å; R12-D32 IonicContact NH2-OD2 2.75Å; R12-D32 PolarHBondContact NH2-OD2 3.36Å; R12-M35 HydrophobicContact CB-CE 4.15Å; R12-M35 HydrophobicContact CB-CG 4.38Å; R12-M35 HydrophobicContact CB-SD 3.93Å |
| 13 | S | 93.1 | Very high | 87.9 | Confident | 81 Ų | 81 | 68.8 Ų | 68.8 | 57% | 0.566 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -64.5 | -41.9 | 177.3 | -65.3 | 0 | 0 | 0 | 0 | 112.4 | R9 K10 I11 K16 G17 | R9-S13 PolarHBondContact O-N 3.28Å; R9-S13 PolarHBondContact O-OG 2.79Å; K10-S13 PolarHBondContact O-N 2.85Å; I11-S13 PolarHBondContact O-N 3.12Å; S13-K16 PolarHBondContact O-N 2.96Å; S13-G17 PolarHBondContact O-N 3.32Å |
| 14 | A | 94.1 | Very high | 89.2 | Confident | 43 Ų | 43 | 63.5 Ų | 63.5 | 36% | 0.355 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | K10 I11 G17 K18 W65 | K10-A14 WeakPolarHBondContact O-CB 3.21Å; K10-A14 PolarHBondContact O-N 2.91Å; I11-A14 PolarHBondContact O-N 3.38Å; A14-G17 PolarHBondContact O-N 3.43Å; A14-K18 WeakPolarHBondContact O-CB 3.21Å; A14-K18 PolarHBondContact O-N 3.17Å; A14-W65 HydrophobicContact CB-CH2 4.33Å |
| 15 | I | 94.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 70 Ų | 70 | 1% | 0.005 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -57.7 | -52.6 | 173 | -73.1 | 162.4 | 0 | 0 | 0 | 110.2 | I11 R12 G17 K18 L19 P31 I34 M35 F62 W65 L66 | I11-I15 HydrophobicContact CG2-CD1 3.63Å; I11-I15 HydrophobicContact CG2-CG1 4.39Å; I11-I15 WeakPolarHBondContact O-CB 3.39Å; I11-I15 VanDerWaalsContact O-CG1 3.32Å; I11-I15 WeakPolarHBondContact O-CG1 3.4Å; I11-I15 PolarHBondContact O-N 3.34Å; R12-I15 PolarHBondContact O-N 3.37Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.03Å; I15-K18 PolarHBondContact O-N 3.13Å; I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 3.42Å; I15-P31 HydrophobicContact CG2-CB 4.12Å; I15-I34 HydrophobicContact CD1-CB 4.42Å; I15-I34 HydrophobicContact CD1-CG2 3.72Å; I15-I34 HydrophobicContact CG1-CG2 4.34Å; I15-I34 HydrophobicContact CG2-CB 4.41Å; I15-I34 HydrophobicContact CG2-CD1 3.82Å; I15-I34 HydrophobicContact CG2-CG2 4.33Å; I15-M35 HydrophobicContact CD1-CG 4.36Å; I15-F62 HydrophobicContact CG1-CZ 4.43Å; I15-F62 HydrophobicContact CG2-CZ 4.06Å; I15-W65 HydrophobicContact CG1-CZ3 4.42Å; I15-L66 HydrophobicContact CD1-CD1 4.17Å; I15-L66 HydrophobicContact CG1-CD1 4.06Å |
| 16 | K | 92.8 | Very high | 89.3 | Confident | 71 Ų | 71 | 67.3 Ų | 67.3 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -58.7 | -43.4 | -179 | -170 | 172.7 | -175.6 | 174.8 | 0 | 111.9 | R12 S13 Q20 E28 P31 | R12-K16 PolarHBondContact O-N 3.12Å; S13-K16 PolarHBondContact O-N 2.96Å; K16-Q20 WeakPolarHBondContact O-CB 3.42Å; K16-Q20 PolarHBondContact O-N 3.02Å; K16-Q20 VanDerWaalsContact O-N 3.14Å; K16-E28 IonicContact NZ-OE1 3.1Å; K16-E28 PolarHBondContact NZ-OE1 3.23Å; K16-E28 IonicContact NZ-OE2 2.73Å; K16-E28 PolarHBondContact NZ-OE2 3.41Å; K16-P31 HydrophobicContact CB-CG 4.21Å; K16-P31 HydrophobicContact CG-CG 4.42Å |
| 17 | G | 93.6 | Very high | 89.2 | Confident | 39 Ų | 39 | 68.2 Ų | 68.2 | 40% | 0.402 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.1 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | S13 A14 I15 Q20 E21 | S13-G17 PolarHBondContact O-N 3.32Å; A14-G17 PolarHBondContact O-N 3.43Å; I15-G17 VanDerWaalsContact C-N 3.32Å; I15-G17 PolarHBondContact O-N 3.03Å; G17-Q20 PolarHBondContact O-N 3.26Å; G17-E21 PolarHBondContact O-N 2.77Å |
| 18 | K | 94.1 | Very high | 89.1 | Confident | 41 Ų | 41 | 70.9 Ų | 70.9 | 18% | 0.178 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.2 | -38.2 | -179.4 | -166.3 | 75.8 | -157.4 | 170 | 0 | 112.9 | A14 I15 Q20 E21 L22 F62 W65 | A14-K18 WeakPolarHBondContact O-CB 3.21Å; A14-K18 PolarHBondContact O-N 3.17Å; I15-K18 PolarHBondContact O-N 3.13Å; K18-Q20 VanDerWaalsContact C-N 3.32Å; K18-E21 WeakPolarHBondContact CD-OE2 3.17Å; K18-E21 WeakPolarHBondContact CE-OE2 3.47Å; K18-E21 IonicContact NZ-OE1 3.17Å; K18-E21 PolarHBondContact NZ-OE1 3.35Å; K18-E21 IonicContact NZ-OE2 3.85Å; K18-E21 PolarHBondContact NZ-OE2 3.42Å; K18-E21 PolarHBondContact O-N 2.92Å; K18-L22 HydrophobicContact CG-CD1 4.31Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.19Å; K18-L22 PolarHBondContact O-N 2.81Å; K18-L22 VanDerWaalsContact O-N 3.09Å; K18-F62 HydrophobicContact CB-CE2 4.3Å; K18-F62 HydrophobicContact CG-CD2 4.15Å; K18-F62 HydrophobicContact CG-CE2 4.39Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.12Å; K18-W65 HydrophobicContact CB-CH2 3.56Å; K18-W65 HydrophobicContact CB-CZ2 3.8Å; K18-W65 HydrophobicContact CB-CZ3 3.73Å; K18-W65 HydrophobicContact CD-CD2 3.91Å; K18-W65 HydrophobicContact CD-CE3 4.44Å; K18-W65 HydrophobicContact CD-CG 4.21Å; K18-W65 HydrophobicContact CD-CZ2 4.08Å; K18-W65 HydrophobicContact CG-CD2 3.68Å; K18-W65 HydrophobicContact CG-CE3 3.71Å; K18-W65 HydrophobicContact CG-CG 4.32Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.98Å; K18-W65 HydrophobicContact CG-CZ3 3.88Å |
| 19 | L | 93.2 | Very high | 89.2 | Confident | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.4 | -66.9 | 171.5 | 0 | 0 | 0 | 111.5 | I15 L22 A24 V26 L30 P31 I34 L55 F62 | I15-L19 HydrophobicContact CG2-CD1 3.65Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 VanDerWaalsContact O-CG 3.24Å; I15-L19 WeakPolarHBondContact O-CG 3.43Å; I15-L19 PolarHBondContact O-N 3.42Å; L19-L22 PolarHBondContact O-N 3.05Å; L19-A24 PolarHBondContact O-N 3.21Å; L19-V26 HydrophobicContact CB-CG1 4.31Å; L19-V26 HydrophobicContact CB-CG2 3.51Å; L19-V26 HydrophobicContact CD1-CG1 3.93Å; L19-V26 HydrophobicContact CD1-CG2 4.5Å; L19-L30 HydrophobicContact CD1-CD2 4.2Å; L19-L30 HydrophobicContact CD1-CG 4.25Å; L19-P31 HydrophobicContact CD1-CG 4.44Å; L19-I34 HydrophobicContact CD1-CD1 3.79Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L19-L55 HydrophobicContact CD2-CD1 3.73Å; L19-L55 HydrophobicContact CD2-CD2 3.59Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; L19-F62 HydrophobicContact CD2-CD1 4.49Å; L19-F62 HydrophobicContact CD2-CD2 3.73Å; L19-F62 HydrophobicContact CD2-CE1 4.33Å; L19-F62 HydrophobicContact CD2-CE2 3.53Å; L19-F62 HydrophobicContact CD2-CG 4.22Å; L19-F62 HydrophobicContact CD2-CZ 3.88Å; L19-F62 HydrophobicContact CG-CD2 4.37Å; L19-F62 HydrophobicContact CG-CE2 3.81Å; L19-F62 HydrophobicContact CG-CZ 4.23Å |
| 20 | Q | 90.8 | Very high | 89.3 | Confident | 144 Ų | 144 | 70.4 Ų | 70.4 | 67% | 0.673 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -67.9 | -39.4 | 175.5 | -171.9 | 175.3 | -0.8 | 0 | 0 | 112.4 | K16 G17 K18 L22 G23 | K16-Q20 WeakPolarHBondContact O-CB 3.42Å; K16-Q20 PolarHBondContact O-N 3.02Å; K16-Q20 VanDerWaalsContact O-N 3.14Å; G17-Q20 PolarHBondContact O-N 3.26Å; K18-Q20 VanDerWaalsContact C-N 3.32Å; Q20-L22 VanDerWaalsContact C-N 3.29Å; Q20-L22 PolarHBondContact O-N 3.23Å; Q20-G23 PolarHBondContact O-N 3.35Å; Q20-G23 VanDerWaalsContact O-N 3.1Å |
| 21 | E | 92.7 | Very high | 89.3 | Confident | 131 Ų | 131 | 64 Ų | 64 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60 | -37.5 | 173.8 | -171.1 | -154.8 | 123.5 | 0 | 0 | 112.3 | G17 K18 G23 | G17-E21 PolarHBondContact O-N 2.77Å; K18-E21 WeakPolarHBondContact CD-OE2 3.17Å; K18-E21 WeakPolarHBondContact CE-OE2 3.47Å; K18-E21 IonicContact NZ-OE1 3.17Å; K18-E21 PolarHBondContact NZ-OE1 3.35Å; K18-E21 IonicContact NZ-OE2 3.85Å; K18-E21 PolarHBondContact NZ-OE2 3.42Å; K18-E21 PolarHBondContact O-N 2.92Å; E21-G23 PolarHBondContact O-N 3.44Å |
| 22 | L | 88.7 | Confident | 89.4 | Confident | 17 Ų | 17 | 66 Ų | 66 | 9% | 0.089 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | -0.2 | 177.7 | -68.7 | 167.4 | 0 | 0 | 0 | 113.5 | K18 L19 Q20 A24 N58 F62 | K18-L22 HydrophobicContact CG-CD1 4.31Å; K18-L22 VanDerWaalsContact O-CG 3.31Å; K18-L22 WeakPolarHBondContact O-CG 3.19Å; K18-L22 PolarHBondContact O-N 2.81Å; K18-L22 VanDerWaalsContact O-N 3.09Å; L19-L22 PolarHBondContact O-N 3.05Å; Q20-L22 VanDerWaalsContact C-N 3.29Å; Q20-L22 PolarHBondContact O-N 3.23Å; L22-A24 PolarHBondContact O-N 3.46Å; L22-N58 HydrophobicContact CB-CB 4.26Å; L22-N58 HydrophobicContact CD1-CB 4.4Å; L22-N58 HydrophobicContact CD2-CB 4.33Å; L22-N58 PolarHBondContact O-ND2 3.18Å; L22-F62 HydrophobicContact CD1-CB 3.83Å; L22-F62 HydrophobicContact CD1-CD2 3.98Å; L22-F62 HydrophobicContact CD1-CG 4.37Å |
| 23 | G | 82.6 | Confident | 89.5 | Confident | 68 Ų | 68 | 66.4 Ų | 66.4 | 70% | 0.701 | 36% | 0.355 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 15.9 | -178 | 0 | 0 | 0 | 0 | 0 | 114 | Q20 E21 | Q20-G23 PolarHBondContact O-N 3.35Å; Q20-G23 VanDerWaalsContact O-N 3.1Å; E21-G23 PolarHBondContact O-N 3.44Å |
| 24 | A | 83.1 | Confident | 89.5 | Confident | 21 Ų | 21 | 62.5 Ų | 62.5 | 17% | 0.174 | 33% | 0.328 | C | S | . | . | trans | -70.9 | 148.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | L19 L22 V26 L55 | L19-A24 PolarHBondContact O-N 3.21Å; L22-A24 PolarHBondContact O-N 3.46Å; A24-V26 WeakPolarHBondContact O-CG2 3.4Å; A24-V26 PolarHBondContact O-N 2.97Å; A24-L55 HydrophobicContact CB-CD2 3.67Å | ||
| 25 | Y | 79.6 | Confident | 89.5 | Confident | 179 Ų | 179 | 62.7 Ų | 62.7 | 70% | 0.702 | 32% | 0.322 | S | S | * | . | trans | -77 | 120.4 | 169.6 | 177.6 | -95.6 | 0 | 0 | 0 | 109 | D27 | Y25-D27 VanDerWaalsContact CE1-CG 3.48Å; Y25-D27 WeakPolarHBondContact CE1-OD1 3.37Å; Y25-D27 WeakPolarHBondContact CE1-OD2 3.31Å; Y25-D27 PolarHBondContact OH-OD1 3.09Å | ||
| 26 | V | 77.5 | Confident | 89.5 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 19% | 0.194 | 35% | 0.345 | C | S | . | . | trans | -118.3 | 98.8 | -170.2 | -166 | 0 | 0 | 0 | 0 | 111 | L19 A24 P31 | L19-V26 HydrophobicContact CB-CG1 4.31Å; L19-V26 HydrophobicContact CB-CG2 3.51Å; L19-V26 HydrophobicContact CD1-CG1 3.93Å; L19-V26 HydrophobicContact CD1-CG2 4.5Å; A24-V26 WeakPolarHBondContact O-CG2 3.4Å; A24-V26 PolarHBondContact O-N 2.97Å; V26-P31 HydrophobicContact CG1-CG 4.11Å | ||
| 27 | D | 83.5 | Confident | 89.6 | Confident | 87 Ų | 87 | 63 Ų | 63 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | trans | -70.3 | 153.5 | 163.4 | -67 | -50.1 | 0 | 0 | 0 | 110.8 | Y25 E29 L30 P31 | Y25-D27 VanDerWaalsContact CE1-CG 3.48Å; Y25-D27 WeakPolarHBondContact CE1-OD1 3.37Å; Y25-D27 WeakPolarHBondContact CE1-OD2 3.31Å; Y25-D27 PolarHBondContact OH-OD1 3.09Å; D27-E29 PolarHBondContact O-N 3.18Å; D27-E29 VanDerWaalsContact O-N 3.07Å; D27-L30 PolarHBondContact O-N 2.88Å; D27-L30 VanDerWaalsContact O-N 3.1Å; D27-P31 VanDerWaalsContact O-CD 3.26Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å | ||
| 28 | E | 83.3 | Confident | 89.6 | Confident | 115 Ų | 115 | 62.5 Ų | 62.5 | 54% | 0.537 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -19.4 | -178.1 | -63.8 | -63.7 | 165.1 | 0 | 0 | 114.2 | R12 K16 | R12-E28 PolarHBondContact NH2-O 3.37Å; K16-E28 IonicContact NZ-OE1 3.1Å; K16-E28 PolarHBondContact NZ-OE1 3.23Å; K16-E28 IonicContact NZ-OE2 2.73Å; K16-E28 PolarHBondContact NZ-OE2 3.41Å |
| 29 | E | 90.8 | Very high | 89.4 | Confident | 161 Ų | 161 | 63.5 Ų | 63.5 | 75% | 0.752 | 34% | 0.335 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | -27.3 | 177.8 | -59.4 | -169.8 | 166.6 | 0 | 0 | 113.3 | D27 D32 Y33 | D27-E29 PolarHBondContact O-N 3.18Å; D27-E29 VanDerWaalsContact O-N 3.07Å; E29-D32 WeakPolarHBondContact O-CB 3.35Å; E29-D32 PolarHBondContact O-N 3.33Å; E29-D32 VanDerWaalsContact O-N 3.11Å; E29-Y33 PolarHBondContact O-N 3.05Å |
| 30 | L | 91.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 68.1 Ų | 68.1 | 7% | 0.068 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.2 | -42.7 | -175.7 | 178.3 | 60.9 | 0 | 0 | 0 | 113 | L19 D27 D32 Y33 I34 L51 F54 L55 | L19-L30 HydrophobicContact CD1-CD2 4.2Å; L19-L30 HydrophobicContact CD1-CG 4.25Å; D27-L30 PolarHBondContact O-N 2.88Å; D27-L30 VanDerWaalsContact O-N 3.1Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.18Å; L30-Y33 HydrophobicContact CD1-CD1 4.5Å; L30-Y33 PolarHBondContact O-N 3.16Å; L30-I34 HydrophobicContact CD1-CD1 4.11Å; L30-I34 HydrophobicContact CD1-CG1 4.37Å; L30-I34 HydrophobicContact CG-CD1 4.06Å; L30-I34 WeakPolarHBondContact O-CD1 3.42Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 2.99Å; L30-L51 HydrophobicContact CD1-CD2 4.01Å; L30-F54 HydrophobicContact CD1-CB 4.34Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.13Å; L30-F54 HydrophobicContact CD2-CB 4.4Å; L30-L55 HydrophobicContact CD2-CD2 4.28Å |
| 31 | P | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 70 Ų | 70 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -60.4 | -31.7 | 171.7 | -25.3 | 35.6 | 0 | 0 | 0 | 114 | R12 I15 K16 L19 V26 D27 M35 | R12-P31 HydrophobicContact CG-CB 3.96Å; I15-P31 HydrophobicContact CG2-CB 4.12Å; K16-P31 HydrophobicContact CB-CG 4.21Å; K16-P31 HydrophobicContact CG-CG 4.42Å; L19-P31 HydrophobicContact CD1-CG 4.44Å; V26-P31 HydrophobicContact CG1-CG 4.11Å; D27-P31 VanDerWaalsContact O-CD 3.26Å; D27-P31 WeakPolarHBondContact O-CD 3.3Å; P31-M35 VanDerWaalsContact O-CG 3.24Å; P31-M35 WeakPolarHBondContact O-CG 3.11Å; P31-M35 PolarHBondContact O-N 3.4Å |
| 32 | D | 92.9 | Very high | 89.5 | Confident | 64 Ų | 64 | 66.3 Ų | 66.3 | 34% | 0.342 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -73.5 | -40.7 | 175.2 | -88.9 | -33.2 | 0 | 0 | 0 | 111.8 | R12 E29 L30 I34 M35 V36 | R12-D32 IonicContact CZ-OD1 3.44Å; R12-D32 VanDerWaalsContact CZ-OD1 3.28Å; R12-D32 IonicContact CZ-OD2 3.13Å; R12-D32 IonicContact NE-OD1 3.82Å; R12-D32 IonicContact NH1-OD1 2.69Å; R12-D32 PolarHBondContact NH1-OD1 3.44Å; R12-D32 IonicContact NH1-OD2 2.59Å; R12-D32 PolarHBondContact NH1-OD2 2.87Å; R12-D32 VanDerWaalsContact NH2-CG 3.35Å; R12-D32 IonicContact NH2-OD1 3.9Å; R12-D32 IonicContact NH2-OD2 2.75Å; R12-D32 PolarHBondContact NH2-OD2 3.36Å; E29-D32 WeakPolarHBondContact O-CB 3.35Å; E29-D32 PolarHBondContact O-N 3.33Å; E29-D32 VanDerWaalsContact O-N 3.11Å; L30-D32 VanDerWaalsContact C-N 3.27Å; L30-D32 PolarHBondContact O-N 3.18Å; D32-I34 VanDerWaalsContact C-N 3.3Å; D32-I34 PolarHBondContact O-N 2.89Å; D32-M35 PolarHBondContact O-N 3.41Å; D32-V36 WeakPolarHBondContact O-CG2 3.15Å; D32-V36 PolarHBondContact O-N 2.85Å |
| 33 | Y | 94.6 | Very high | 89.8 | Confident | 86 Ų | 86 | 68.3 Ų | 68.3 | 34% | 0.337 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -58.1 | -43.8 | 173.3 | -179.1 | -116.1 | 0 | 0 | 0 | 111.5 | E29 L30 V36 M37 D50 L51 F54 | E29-Y33 PolarHBondContact O-N 3.05Å; L30-Y33 HydrophobicContact CD1-CD1 4.5Å; L30-Y33 PolarHBondContact O-N 3.16Å; Y33-V36 PolarHBondContact O-N 3.03Å; Y33-M37 HydrophobicContact CD1-CE 3.54Å; Y33-M37 HydrophobicContact CD1-SD 4.25Å; Y33-M37 HydrophobicContact CE1-CE 3.33Å; Y33-M37 HydrophobicContact CE1-CG 4.34Å; Y33-M37 HydrophobicContact CE1-SD 3.54Å; Y33-M37 VanDerWaalsContact CE1-SD 3.54Å; Y33-M37 HydrophobicContact CE2-CG 4.42Å; Y33-M37 HydrophobicContact CE2-SD 4.47Å; Y33-M37 HydrophobicContact CG-CE 4.4Å; Y33-M37 WeakPolarHBondContact O-CG 3.36Å; Y33-M37 PolarHBondContact O-N 3.38Å; Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 3.37Å; Y33-L51 HydrophobicContact CD1-CD2 4.49Å; Y33-F54 HydrophobicContact CE1-CE2 4.45Å |
| 34 | I | 94.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 175.8 | -63.9 | 160.8 | 0 | 0 | 0 | 111.1 | I15 L19 L30 D32 V36 M37 V38 L51 F62 L66 | I15-I34 HydrophobicContact CD1-CB 4.42Å; I15-I34 HydrophobicContact CD1-CG2 3.72Å; I15-I34 HydrophobicContact CG1-CG2 4.34Å; I15-I34 HydrophobicContact CG2-CB 4.41Å; I15-I34 HydrophobicContact CG2-CD1 3.82Å; I15-I34 HydrophobicContact CG2-CG2 4.33Å; L19-I34 HydrophobicContact CD1-CD1 3.79Å; L19-I34 HydrophobicContact CD2-CD1 4.33Å; L30-I34 HydrophobicContact CD1-CD1 4.11Å; L30-I34 HydrophobicContact CD1-CG1 4.37Å; L30-I34 HydrophobicContact CG-CD1 4.06Å; L30-I34 WeakPolarHBondContact O-CD1 3.42Å; L30-I34 WeakPolarHBondContact O-CG1 3.46Å; L30-I34 PolarHBondContact O-N 2.99Å; D32-I34 VanDerWaalsContact C-N 3.3Å; D32-I34 PolarHBondContact O-N 2.89Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.96Å; I34-M37 HydrophobicContact CB-CE 4.47Å; I34-M37 HydrophobicContact CG1-CE 4.02Å; I34-M37 WeakPolarHBondContact O-CB 3.47Å; I34-M37 PolarHBondContact O-N 3Å; I34-M37 VanDerWaalsContact O-N 3.12Å; I34-V38 WeakPolarHBondContact O-CG2 3.43Å; I34-V38 PolarHBondContact O-N 3.11Å; I34-L51 HydrophobicContact CD1-CD2 4.19Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.87Å; I34-F62 HydrophobicContact CD1-CE1 3.91Å; I34-F62 HydrophobicContact CD1-CZ 3.88Å; I34-F62 HydrophobicContact CG1-CE1 4.5Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.3Å; I34-L66 HydrophobicContact CG2-CD2 3.57Å |
| 35 | M | 93.7 | Very high | 90.9 | Very high | 46 Ų | 46 | 72.2 Ų | 72.2 | 23% | 0.227 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -59.2 | -38 | 174 | -73.4 | -118.4 | -66.1 | 0 | 0 | 112.8 | S8 I11 R12 I15 P31 D32 V38 A39 | S8-M35 VanDerWaalsContact O-SD 3.35Å; I11-M35 HydrophobicContact CG2-SD 4.32Å; R12-M35 HydrophobicContact CB-CE 4.15Å; R12-M35 HydrophobicContact CB-CG 4.38Å; R12-M35 HydrophobicContact CB-SD 3.93Å; I15-M35 HydrophobicContact CD1-CG 4.36Å; P31-M35 VanDerWaalsContact O-CG 3.24Å; P31-M35 WeakPolarHBondContact O-CG 3.11Å; P31-M35 PolarHBondContact O-N 3.4Å; D32-M35 PolarHBondContact O-N 3.41Å; M35-V38 PolarHBondContact O-N 3.47Å; M35-A39 WeakPolarHBondContact O-CB 3.3Å; M35-A39 PolarHBondContact O-N 2.93Å |
| 36 | V | 93.6 | Very high | 91.6 | Very high | 78 Ų | 78 | 67.3 Ų | 67.3 | 47% | 0.473 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.3 | -38.4 | 174.6 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | D32 Y33 I34 A39 N40 | D32-V36 WeakPolarHBondContact O-CG2 3.15Å; D32-V36 PolarHBondContact O-N 2.85Å; Y33-V36 PolarHBondContact O-N 3.03Å; I34-V36 VanDerWaalsContact C-N 3.29Å; I34-V36 PolarHBondContact O-N 2.96Å; V36-A39 PolarHBondContact O-N 3.01Å; V36-N40 WeakPolarHBondContact O-CB 3.39Å; V36-N40 VanDerWaalsContact O-CG 3.31Å; V36-N40 PolarHBondContact O-N 3.3Å; V36-N40 PolarHBondContact O-ND2 2.99Å |
| 37 | M | 94.1 | Very high | 92.4 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -64.4 | -40.5 | 174.8 | -69.1 | -165.3 | -71.7 | 0 | 0 | 112.6 | Y33 I34 N40 K41 K42 M47 D50 L51 | Y33-M37 HydrophobicContact CD1-CE 3.54Å; Y33-M37 HydrophobicContact CD1-SD 4.25Å; Y33-M37 HydrophobicContact CE1-CE 3.33Å; Y33-M37 HydrophobicContact CE1-CG 4.34Å; Y33-M37 HydrophobicContact CE1-SD 3.54Å; Y33-M37 VanDerWaalsContact CE1-SD 3.54Å; Y33-M37 HydrophobicContact CE2-CG 4.42Å; Y33-M37 HydrophobicContact CE2-SD 4.47Å; Y33-M37 HydrophobicContact CG-CE 4.4Å; Y33-M37 WeakPolarHBondContact O-CG 3.36Å; Y33-M37 PolarHBondContact O-N 3.38Å; I34-M37 HydrophobicContact CB-CE 4.47Å; I34-M37 HydrophobicContact CG1-CE 4.02Å; I34-M37 WeakPolarHBondContact O-CB 3.47Å; I34-M37 PolarHBondContact O-N 3Å; I34-M37 VanDerWaalsContact O-N 3.12Å; M37-N40 CarbonylContact O-C 3.58Å; M37-N40 PolarHBondContact O-N 2.97Å; M37-K41 PolarHBondContact O-N 3.47Å; M37-K42 HydrophobicContact CB-CD 3.88Å; M37-K42 HydrophobicContact CB-CG 4.37Å; M37-K42 HydrophobicContact CG-CD 3.7Å; M37-K42 PolarHBondContact O-N 2.93Å; M37-K42 HydrophobicContact SD-CD 3.83Å; M37-M47 HydrophobicContact CB-CG 4.23Å; M37-M47 HydrophobicContact CB-SD 4.23Å; M37-M47 HydrophobicContact SD-CG 4.39Å; M37-D50 HydrophobicContact CE-CB 4.47Å; M37-D50 HydrophobicContact SD-CB 3.63Å; M37-L51 HydrophobicContact CE-CD1 4.06Å; M37-L51 HydrophobicContact CE-CD2 3.73Å; M37-L51 HydrophobicContact CE-CG 3.75Å |
| 38 | V | 93.7 | Very high | 93 | Very high | 28 Ų | 28 | 63.2 Ų | 63.2 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -64.4 | -45.1 | 173.2 | 173.1 | 0 | 0 | 0 | 0 | 111.5 | I34 M35 N40 K41 M47 L66 L70 | I34-V38 WeakPolarHBondContact O-CG2 3.43Å; I34-V38 PolarHBondContact O-N 3.11Å; M35-V38 PolarHBondContact O-N 3.47Å; V38-N40 PolarHBondContact O-N 3.07Å; V38-K41 PolarHBondContact O-N 3.34Å; V38-M47 HydrophobicContact CG2-SD 4.49Å; V38-L66 HydrophobicContact CG2-CD2 4.18Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.83Å; V38-L70 HydrophobicContact CG1-CD2 3.65Å; V38-L70 HydrophobicContact CG1-CG 4.41Å; V38-L70 HydrophobicContact CG2-CD1 3.63Å |
| 39 | A | 91.1 | Very high | 93.6 | Very high | 62 Ų | 62 | 63.8 Ų | 63.8 | 51% | 0.512 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -18.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | M35 V36 K608 | M35-A39 WeakPolarHBondContact O-CB 3.3Å; M35-A39 PolarHBondContact O-N 2.93Å; V36-A39 PolarHBondContact O-N 3.01Å; A39-K608 PolarHBondContact O-NZ 3.31Å |
| 40 | N | 93.6 | Very high | 93.7 | Very high | 97 Ų | 97 | 58 Ų | 58 | 52% | 0.519 | 30% | 0.301 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | 2.4 | 173.4 | -71.2 | -25.2 | 0 | 0 | 0 | 113.7 | V36 M37 V38 K42 | V36-N40 WeakPolarHBondContact O-CB 3.39Å; V36-N40 VanDerWaalsContact O-CG 3.31Å; V36-N40 PolarHBondContact O-N 3.3Å; V36-N40 PolarHBondContact O-ND2 2.99Å; M37-N40 CarbonylContact O-C 3.58Å; M37-N40 PolarHBondContact O-N 2.97Å; V38-N40 PolarHBondContact O-N 3.07Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.25Å |
| 41 | K | 90.9 | Very high | 93.8 | Very high | 185 Ų | 185 | 57.3 Ų | 57.3 | 80% | 0.804 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52 | 41.9 | -179.2 | -58.3 | -174.9 | 177.4 | -175.2 | 0 | 113.5 | M37 V38 | M37-K41 PolarHBondContact O-N 3.47Å; V38-K41 PolarHBondContact O-N 3.34Å |
| 42 | K | 93.1 | Very high | 93.9 | Very high | 53 Ų | 53 | 59.9 Ų | 59.9 | 23% | 0.23 | 32% | 0.315 | C | S | . | . | trans | -57.8 | 149.1 | 170.6 | -70.3 | -168 | 177.9 | -175.6 | 0 | 110.4 | M37 N40 Q46 M47 D50 | M37-K42 HydrophobicContact CB-CD 3.88Å; M37-K42 HydrophobicContact CB-CG 4.37Å; M37-K42 HydrophobicContact CG-CD 3.7Å; M37-K42 PolarHBondContact O-N 2.93Å; M37-K42 HydrophobicContact SD-CD 3.83Å; N40-K42 VanDerWaalsContact C-N 3.3Å; N40-K42 PolarHBondContact O-N 3.25Å; K42-Q46 HydrophobicContact CB-CB 4.33Å; K42-Q46 HydrophobicContact CB-CG 4.36Å; K42-Q46 HydrophobicContact CD-CG 3.92Å; K42-Q46 HydrophobicContact CG-CG 4.26Å; K42-M47 HydrophobicContact CB-CE 4.16Å; K42-M47 HydrophobicContact CB-CG 3.74Å; K42-M47 HydrophobicContact CD-CG 4.44Å; K42-M47 WeakPolarHBondContact O-CE 3.4Å; K42-D50 VanDerWaalsContact CD-OD2 3.31Å; K42-D50 WeakPolarHBondContact CD-OD2 3.37Å; K42-D50 WeakPolarHBondContact CE-OD2 3.26Å; K42-D50 IonicContact NZ-OD1 2.7Å; K42-D50 PolarHBondContact NZ-OD1 2.93Å; K42-D50 IonicContact NZ-OD2 2.63Å; K42-D50 PolarHBondContact NZ-OD2 2.79Å | ||
| 43 | S | 94.8 | Very high | 93.8 | Very high | 59 Ų | 59 | 64.3 Ų | 64.3 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | trans | -71.1 | 166.4 | 171.5 | 62.2 | 0 | 0 | 0 | 0 | 111.1 | D45 Q46 M47 | S43-D45 PolarHBondContact O-N 3.15Å; S43-Q46 PolarHBondContact O-N 2.64Å; S43-Q46 WeakPolarHBondContact OG-CB 3.35Å; S43-Q46 PolarHBondContact OG-N 3.37Å; S43-Q46 VanDerWaalsContact OG-N 3.14Å; S43-M47 PolarHBondContact O-N 3.38Å | ||
| 44 | Q | 94.6 | Very high | 93.6 | Very high | 63 Ų | 63 | 65.8 Ų | 65.8 | 29% | 0.294 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59.2 | -41.2 | 175.5 | -171.6 | -174.8 | -92.3 | 0 | 0 | 110.8 | M47 T48 H67 | Q44-M47 PolarHBondContact O-N 2.97Å; Q44-T48 WeakPolarHBondContact O-CB 3.35Å; Q44-T48 PolarHBondContact O-N 3.37Å; Q44-T48 PolarHBondContact O-OG1 3.47Å; Q44-H67 WeakPolarHBondContact CA-NE2 3.26Å; Q44-H67 PolarHBondContact N-NE2 3.03Å |
| 45 | D | 94.7 | Very high | 93.4 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 57% | 0.572 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -69 | -44.3 | -178.6 | -40 | -66 | 0 | 0 | 0 | 110.6 | S43 M47 T48 E49 | S43-D45 PolarHBondContact O-N 3.15Å; D45-M47 PolarHBondContact O-N 3.46Å; D45-T48 CarbonylContact O-C 3.54Å; D45-T48 WeakPolarHBondContact O-CA 3.38Å; D45-T48 WeakPolarHBondContact O-CB 3.45Å; D45-T48 PolarHBondContact O-N 2.76Å; D45-E49 PolarHBondContact O-N 3.1Å |
| 46 | Q | 95.1 | Very high | 93.2 | Very high | 77 Ų | 77 | 66.1 Ų | 66.1 | 36% | 0.36 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -43 | 176.5 | -171.8 | 67.7 | 92.4 | 0 | 0 | 111.4 | K42 S43 T48 E49 D50 | K42-Q46 HydrophobicContact CB-CB 4.33Å; K42-Q46 HydrophobicContact CB-CG 4.36Å; K42-Q46 HydrophobicContact CD-CG 3.92Å; K42-Q46 HydrophobicContact CG-CG 4.26Å; S43-Q46 PolarHBondContact O-N 2.64Å; S43-Q46 WeakPolarHBondContact OG-CB 3.35Å; S43-Q46 PolarHBondContact OG-N 3.37Å; S43-Q46 VanDerWaalsContact OG-N 3.14Å; Q46-T48 PolarHBondContact O-N 3.15Å; Q46-E49 PolarHBondContact NE2-OE2 2.63Å; Q46-E49 PolarHBondContact O-N 3.26Å; Q46-D50 PolarHBondContact O-N 3.4Å |
| 47 | M | 94.7 | Very high | 93.1 | Very high | 3 Ų | 3 | 70.1 Ų | 70.1 | 2% | 0.015 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -63.7 | -27.5 | 171.8 | -73.5 | -166.4 | -114.1 | 0 | 0 | 112.6 | M37 V38 K42 S43 Q44 D45 L51 T63 L66 H67 | M37-M47 HydrophobicContact CB-CG 4.23Å; M37-M47 HydrophobicContact CB-SD 4.23Å; M37-M47 HydrophobicContact SD-CG 4.39Å; V38-M47 HydrophobicContact CG2-SD 4.49Å; K42-M47 HydrophobicContact CB-CE 4.16Å; K42-M47 HydrophobicContact CB-CG 3.74Å; K42-M47 HydrophobicContact CD-CG 4.44Å; K42-M47 WeakPolarHBondContact O-CE 3.4Å; S43-M47 PolarHBondContact O-N 3.38Å; Q44-M47 PolarHBondContact O-N 2.97Å; D45-M47 PolarHBondContact O-N 3.46Å; M47-L51 WeakPolarHBondContact O-CB 3.46Å; M47-L51 VanDerWaalsContact O-CG 3.3Å; M47-L51 WeakPolarHBondContact O-CG 3.3Å; M47-L51 PolarHBondContact O-N 2.93Å; M47-T63 HydrophobicContact CB-CG2 3.93Å; M47-L66 HydrophobicContact SD-CD2 3.93Å; M47-H67 VanDerWaalsContact CE-NE2 3.28Å; M47-H67 WeakPolarHBondContact CE-NE2 3.31Å |
| 48 | T | 95.1 | Very high | 93 | Very high | 29 Ų | 29 | 72 Ų | 72 | 18% | 0.178 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -74.9 | -39.6 | 177 | -57.4 | 0 | 0 | 0 | 0 | 111.2 | Q44 D45 Q46 S52 T59 I60 T63 | Q44-T48 WeakPolarHBondContact O-CB 3.35Å; Q44-T48 PolarHBondContact O-N 3.37Å; Q44-T48 PolarHBondContact O-OG1 3.47Å; D45-T48 CarbonylContact O-C 3.54Å; D45-T48 WeakPolarHBondContact O-CA 3.38Å; D45-T48 WeakPolarHBondContact O-CB 3.45Å; D45-T48 PolarHBondContact O-N 2.76Å; Q46-T48 PolarHBondContact O-N 3.15Å; T48-S52 WeakPolarHBondContact O-CB 3.27Å; T48-S52 PolarHBondContact O-N 3.27Å; T48-T59 HydrophobicContact CG2-CG2 4Å; T48-T59 WeakPolarHBondContact O-CG2 3.48Å; T48-I60 HydrophobicContact CG2-CG1 3.83Å; T48-T63 WeakPolarHBondContact OG1-CB 3.47Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.24Å; T48-T63 PolarHBondContact OG1-OG1 2.94Å |
| 49 | E | 95.3 | Very high | 93 | Very high | 127 Ų | 127 | 70.9 Ų | 70.9 | 59% | 0.593 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -60.2 | -54.1 | 169.1 | -67.7 | -179.6 | 170.1 | 0 | 0 | 111.1 | D45 Q46 L51 S52 | D45-E49 PolarHBondContact O-N 3.1Å; Q46-E49 PolarHBondContact NE2-OE2 2.63Å; Q46-E49 PolarHBondContact O-N 3.26Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.09Å; E49-S52 WeakPolarHBondContact O-CB 3.3Å; E49-S52 PolarHBondContact O-N 2.84Å; E49-S52 PolarHBondContact O-OG 3.41Å |
| 50 | D | 94.5 | Very high | 93.1 | Very high | 39 Ų | 39 | 73.1 Ų | 73.1 | 21% | 0.209 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -62.7 | -35.1 | -176.4 | -71.3 | -66.6 | 0 | 0 | 0 | 113.4 | Y33 M37 K42 Q46 F54 | Y33-D50 HydrophobicContact CE1-CB 4.45Å; Y33-D50 PolarHBondContact OH-OD1 3.37Å; M37-D50 HydrophobicContact CE-CB 4.47Å; M37-D50 HydrophobicContact SD-CB 3.63Å; K42-D50 VanDerWaalsContact CD-OD2 3.31Å; K42-D50 WeakPolarHBondContact CD-OD2 3.37Å; K42-D50 WeakPolarHBondContact CE-OD2 3.26Å; K42-D50 IonicContact NZ-OD1 2.7Å; K42-D50 PolarHBondContact NZ-OD1 2.93Å; K42-D50 IonicContact NZ-OD2 2.63Å; K42-D50 PolarHBondContact NZ-OD2 2.79Å; Q46-D50 PolarHBondContact O-N 3.4Å; D50-F54 WeakPolarHBondContact O-CD2 3.45Å |
| 51 | L | 93.9 | Very high | 93.2 | Very high | 0 Ų | 0 | 76.1 Ų | 76.1 | 0% | 0 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -91.6 | -10.2 | -179.4 | -67.3 | 172.2 | 0 | 0 | 0 | 114 | L30 Y33 I34 M37 M47 E49 L53 F54 L55 T59 F62 T63 | L30-L51 HydrophobicContact CD1-CD2 4.01Å; Y33-L51 HydrophobicContact CD1-CD2 4.49Å; I34-L51 HydrophobicContact CD1-CD2 4.19Å; I34-L51 HydrophobicContact CG1-CD1 4.2Å; I34-L51 HydrophobicContact CG1-CD2 3.87Å; M37-L51 HydrophobicContact CE-CD1 4.06Å; M37-L51 HydrophobicContact CE-CD2 3.73Å; M37-L51 HydrophobicContact CE-CG 3.75Å; M47-L51 WeakPolarHBondContact O-CB 3.46Å; M47-L51 VanDerWaalsContact O-CG 3.3Å; M47-L51 WeakPolarHBondContact O-CG 3.3Å; M47-L51 PolarHBondContact O-N 2.93Å; E49-L51 VanDerWaalsContact C-N 3.33Å; E49-L51 PolarHBondContact O-N 3.09Å; L51-L53 PolarHBondContact O-N 3.02Å; L51-F54 HydrophobicContact CD2-CD2 4.38Å; L51-F54 PolarHBondContact O-N 3.45Å; L51-L55 HydrophobicContact CB-CD1 4.12Å; L51-L55 HydrophobicContact CB-CG 4.37Å; L51-L55 HydrophobicContact CD1-CD1 4.24Å; L51-L55 PolarHBondContact O-N 3.46Å; L51-T59 HydrophobicContact CB-CG2 3.56Å; L51-T59 PolarHBondContact O-OG1 2.93Å; L51-F62 HydrophobicContact CD1-CD1 3.79Å; L51-F62 HydrophobicContact CD1-CE1 3.74Å; L51-T63 HydrophobicContact CD1-CG2 4.13Å |
| 52 | S | 94.2 | Very high | 93.4 | Very high | 53 Ų | 53 | 67.3 Ų | 67.3 | 37% | 0.371 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -52.8 | -40.5 | -179.5 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | T48 E49 F54 G56 T59 | T48-S52 WeakPolarHBondContact O-CB 3.27Å; T48-S52 PolarHBondContact O-N 3.27Å; E49-S52 WeakPolarHBondContact O-CB 3.3Å; E49-S52 PolarHBondContact O-N 2.84Å; E49-S52 PolarHBondContact O-OG 3.41Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 3.23Å; S52-G56 VanDerWaalsContact O-CA 3.31Å; S52-G56 WeakPolarHBondContact O-CA 3.42Å; S52-G56 PolarHBondContact O-N 3.24Å; S52-T59 WeakPolarHBondContact CA-OG1 3.32Å |
| 53 | L | 90.1 | Very high | 93.5 | Very high | 157 Ų | 157 | 64.8 Ų | 64.8 | 82% | 0.822 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -72.4 | -18.6 | -179.8 | -59.1 | 179.3 | 0 | 0 | 0 | 113.9 | L51 | L51-L53 PolarHBondContact O-N 3.02Å |
| 54 | F | 90.6 | Very high | 93.5 | Very high | 118 Ų | 118 | 65.4 Ų | 65.4 | 52% | 0.518 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -102.8 | -36.5 | -178.3 | -61.1 | -85.3 | 0 | 0 | 0 | 112.6 | L30 Y33 D50 L51 S52 | L30-F54 HydrophobicContact CD1-CB 4.34Å; L30-F54 HydrophobicContact CD1-CD1 4.2Å; L30-F54 HydrophobicContact CD1-CG 4.13Å; L30-F54 HydrophobicContact CD2-CB 4.4Å; Y33-F54 HydrophobicContact CE1-CE2 4.45Å; D50-F54 WeakPolarHBondContact O-CD2 3.45Å; L51-F54 HydrophobicContact CD2-CD2 4.38Å; L51-F54 PolarHBondContact O-N 3.45Å; S52-F54 VanDerWaalsContact C-N 3.29Å; S52-F54 PolarHBondContact O-N 3.23Å |
| 55 | L | 90.4 | Very high | 93.6 | Very high | 12 Ų | 12 | 65.7 Ų | 65.7 | 6% | 0.063 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -114.8 | -10.6 | -171.2 | -49.4 | -178.6 | 0 | 0 | 0 | 113.6 | L19 A24 L30 L51 N57 N58 T59 F62 | L19-L55 HydrophobicContact CD2-CD1 3.73Å; L19-L55 HydrophobicContact CD2-CD2 3.59Å; L19-L55 HydrophobicContact CD2-CG 4.33Å; A24-L55 HydrophobicContact CB-CD2 3.67Å; L30-L55 HydrophobicContact CD2-CD2 4.28Å; L51-L55 HydrophobicContact CB-CD1 4.12Å; L51-L55 HydrophobicContact CB-CG 4.37Å; L51-L55 HydrophobicContact CD1-CD1 4.24Å; L51-L55 PolarHBondContact O-N 3.46Å; L55-N57 PolarHBondContact O-N 2.7Å; L55-N58 WeakPolarHBondContact O-CB 3.42Å; L55-N58 PolarHBondContact O-N 3.07Å; L55-T59 WeakPolarHBondContact CB-OG1 3.46Å; L55-F62 HydrophobicContact CD1-CB 3.9Å; L55-F62 HydrophobicContact CD1-CD1 3.62Å; L55-F62 HydrophobicContact CD1-CE1 4.33Å; L55-F62 HydrophobicContact CD1-CG 3.73Å |
| 56 | G | 89.6 | Confident | 93.6 | Very high | 41 Ų | 41 | 60.7 Ų | 60.7 | 42% | 0.423 | 31% | 0.311 | S | S | . | . | G | 310 helix | trans | 52.2 | -127.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.7 | S52 N58 T59 | S52-G56 VanDerWaalsContact O-CA 3.31Å; S52-G56 WeakPolarHBondContact O-CA 3.42Å; S52-G56 PolarHBondContact O-N 3.24Å; G56-N58 PolarHBondContact O-N 3.14Å; G56-N58 VanDerWaalsContact O-N 3.15Å; G56-T59 PolarHBondContact N-OG1 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.31Å; G56-T59 WeakPolarHBondContact O-CB 3.48Å; G56-T59 PolarHBondContact O-N 3.37Å; G56-T59 PolarHBondContact O-OG1 3Å |
| 57 | N | 91.7 | Very high | 93.5 | Very high | 162 Ų | 162 | 58.6 Ų | 58.6 | 87% | 0.866 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -60.7 | -21.7 | 178.7 | -56.9 | 71.1 | 0 | 0 | 0 | 114.1 | L55 T59 | L55-N57 PolarHBondContact O-N 2.7Å; N57-T59 VanDerWaalsContact C-N 3.31Å |
| 58 | N | 91.4 | Very high | 93.5 | Very high | 41 Ų | 41 | 60 Ų | 60 | 22% | 0.219 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -80.9 | -9.9 | 176.5 | -74.8 | -49 | 0 | 0 | 0 | 113.4 | L22 L55 G56 I60 R61 F62 | L22-N58 HydrophobicContact CB-CB 4.26Å; L22-N58 HydrophobicContact CD1-CB 4.4Å; L22-N58 HydrophobicContact CD2-CB 4.33Å; L22-N58 PolarHBondContact O-ND2 3.18Å; L55-N58 WeakPolarHBondContact O-CB 3.42Å; L55-N58 PolarHBondContact O-N 3.07Å; G56-N58 PolarHBondContact O-N 3.14Å; G56-N58 VanDerWaalsContact O-N 3.15Å; N58-I60 PolarHBondContact O-N 2.98Å; N58-R61 PolarHBondContact O-N 2.7Å; N58-R61 PolarHBondContact OD1-NH1 3.07Å; N58-R61 VanDerWaalsContact OD1-NH1 3.17Å; N58-F62 PolarHBondContact O-N 3.1Å |
| 59 | T | 94.3 | Very high | 93.5 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.018 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | -172.1 | -48.7 | 0 | 0 | 0 | 0 | 112.9 | T48 L51 S52 L55 G56 N57 R61 F62 T63 | T48-T59 HydrophobicContact CG2-CG2 4Å; T48-T59 WeakPolarHBondContact O-CG2 3.48Å; L51-T59 HydrophobicContact CB-CG2 3.56Å; L51-T59 PolarHBondContact O-OG1 2.93Å; S52-T59 WeakPolarHBondContact CA-OG1 3.32Å; L55-T59 WeakPolarHBondContact CB-OG1 3.46Å; G56-T59 PolarHBondContact N-OG1 3.29Å; G56-T59 VanDerWaalsContact O-CB 3.31Å; G56-T59 WeakPolarHBondContact O-CB 3.48Å; G56-T59 PolarHBondContact O-N 3.37Å; G56-T59 PolarHBondContact O-OG1 3Å; N57-T59 VanDerWaalsContact C-N 3.31Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.94Å; T59-F62 CarbonylContact O-C 3.6Å; T59-F62 WeakPolarHBondContact O-CA 3.41Å; T59-F62 WeakPolarHBondContact O-CB 3.39Å; T59-F62 PolarHBondContact O-N 3.31Å; T59-T63 HydrophobicContact CG2-CG2 4.24Å; T59-T63 PolarHBondContact O-N 2.9Å; T59-T63 PolarHBondContact O-OG1 3.35Å |
| 60 | I | 93.5 | Very high | 93.3 | Very high | 110 Ų | 110 | 55 Ų | 55 | 56% | 0.564 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -60.8 | -41.1 | -178.2 | -58.3 | 169.1 | 0 | 0 | 0 | 110.5 | T48 N58 F62 T63 V64 | T48-I60 HydrophobicContact CG2-CG1 3.83Å; N58-I60 PolarHBondContact O-N 2.98Å; I60-F62 VanDerWaalsContact C-N 3.28Å; I60-F62 PolarHBondContact O-N 3.25Å; I60-T63 PolarHBondContact O-N 3.41Å; I60-T63 PolarHBondContact O-OG1 3.43Å; I60-V64 HydrophobicContact CG2-CG2 4.32Å; I60-V64 WeakPolarHBondContact O-CB 3.2Å; I60-V64 VanDerWaalsContact O-CG2 3.26Å; I60-V64 WeakPolarHBondContact O-CG2 3.38Å; I60-V64 PolarHBondContact O-N 2.94Å; I60-V64 VanDerWaalsContact O-N 3.08Å |
| 61 | R | 93.8 | Very high | 93.2 | Very high | 159 Ų | 159 | 56.7 Ų | 56.7 | 60% | 0.6 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.4 | -35.7 | 177.2 | -58.1 | 175.1 | 70.4 | -148.4 | 4.9 | 111.4 | N58 T59 W65 | N58-R61 PolarHBondContact O-N 2.7Å; N58-R61 PolarHBondContact OD1-NH1 3.07Å; N58-R61 VanDerWaalsContact OD1-NH1 3.17Å; T59-R61 VanDerWaalsContact C-N 3.29Å; T59-R61 PolarHBondContact O-N 2.94Å; R61-W65 WeakPolarHBondContact O-CB 3.43Å; R61-W65 PolarHBondContact O-N 3.15Å |
| 62 | F | 95.6 | Very high | 93 | Very high | 0 Ų | 0 | 63.8 Ų | 63.8 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -75.3 | -44.4 | 176.9 | 179.5 | -97.1 | 0 | 0 | 0 | 112.9 | I15 K18 L19 L22 I34 L51 L55 N58 T59 I60 W65 L66 | I15-F62 HydrophobicContact CG1-CZ 4.43Å; I15-F62 HydrophobicContact CG2-CZ 4.06Å; K18-F62 HydrophobicContact CB-CE2 4.3Å; K18-F62 HydrophobicContact CG-CD2 4.15Å; K18-F62 HydrophobicContact CG-CE2 4.39Å; L19-F62 HydrophobicContact CD2-CD1 4.49Å; L19-F62 HydrophobicContact CD2-CD2 3.73Å; L19-F62 HydrophobicContact CD2-CE1 4.33Å; L19-F62 HydrophobicContact CD2-CE2 3.53Å; L19-F62 HydrophobicContact CD2-CG 4.22Å; L19-F62 HydrophobicContact CD2-CZ 3.88Å; L19-F62 HydrophobicContact CG-CD2 4.37Å; L19-F62 HydrophobicContact CG-CE2 3.81Å; L19-F62 HydrophobicContact CG-CZ 4.23Å; L22-F62 HydrophobicContact CD1-CB 3.83Å; L22-F62 HydrophobicContact CD1-CD2 3.98Å; L22-F62 HydrophobicContact CD1-CG 4.37Å; I34-F62 HydrophobicContact CD1-CE1 3.91Å; I34-F62 HydrophobicContact CD1-CZ 3.88Å; I34-F62 HydrophobicContact CG1-CE1 4.5Å; I34-F62 HydrophobicContact CG2-CE1 4.26Å; I34-F62 HydrophobicContact CG2-CZ 4.3Å; L51-F62 HydrophobicContact CD1-CD1 3.79Å; L51-F62 HydrophobicContact CD1-CE1 3.74Å; L55-F62 HydrophobicContact CD1-CB 3.9Å; L55-F62 HydrophobicContact CD1-CD1 3.62Å; L55-F62 HydrophobicContact CD1-CE1 4.33Å; L55-F62 HydrophobicContact CD1-CG 3.73Å; N58-F62 PolarHBondContact O-N 3.1Å; T59-F62 CarbonylContact O-C 3.6Å; T59-F62 WeakPolarHBondContact O-CA 3.41Å; T59-F62 WeakPolarHBondContact O-CB 3.39Å; T59-F62 PolarHBondContact O-N 3.31Å; I60-F62 VanDerWaalsContact C-N 3.28Å; I60-F62 PolarHBondContact O-N 3.25Å; F62-W65 HydrophobicContact CD2-CE3 4.02Å; F62-W65 HydrophobicContact CD2-CZ3 4.23Å; F62-W65 AromaticContact CE2-CE3 3.85Å; F62-W65 HydrophobicContact CE2-CE3 3.85Å; F62-W65 AromaticContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CZ-CE3 4.49Å; F62-W65 HydrophobicContact CZ-CZ3 4.13Å; F62-W65 PolarHBondContact O-N 2.63Å; F62-L66 HydrophobicContact CE1-CB 4.4Å; F62-L66 HydrophobicContact CE1-CD2 3.86Å; F62-L66 HydrophobicContact CZ-CD2 4.24Å; F62-L66 VanDerWaalsContact O-CB 3.31Å; F62-L66 WeakPolarHBondContact O-CB 3.49Å; F62-L66 PolarHBondContact O-N 3.17Å |
| 63 | T | 95.4 | Very high | 92.7 | Very high | 0 Ų | 0 | 64.4 Ų | 64.4 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.9 | -39.5 | -176.2 | 51.8 | 0 | 0 | 0 | 0 | 112.3 | M47 T48 L51 T59 I60 L66 H67 | M47-T63 HydrophobicContact CB-CG2 3.93Å; T48-T63 WeakPolarHBondContact OG1-CB 3.47Å; T48-T63 WeakPolarHBondContact OG1-CG2 3.24Å; T48-T63 PolarHBondContact OG1-OG1 2.94Å; L51-T63 HydrophobicContact CD1-CG2 4.13Å; T59-T63 HydrophobicContact CG2-CG2 4.24Å; T59-T63 PolarHBondContact O-N 2.9Å; T59-T63 PolarHBondContact O-OG1 3.35Å; I60-T63 PolarHBondContact O-N 3.41Å; I60-T63 PolarHBondContact O-OG1 3.43Å; T63-L66 PolarHBondContact O-N 3.32Å; T63-H67 PolarHBondContact O-N 2.63Å |
| 64 | V | 95.8 | Very high | 92.5 | Very high | 73 Ų | 73 | 62.4 Ų | 62.4 | 44% | 0.442 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.1 | -45.6 | 170.7 | 171.9 | 0 | 0 | 0 | 0 | 111.2 | I60 G68 | I60-V64 HydrophobicContact CG2-CG2 4.32Å; I60-V64 WeakPolarHBondContact O-CB 3.2Å; I60-V64 VanDerWaalsContact O-CG2 3.26Å; I60-V64 WeakPolarHBondContact O-CG2 3.38Å; I60-V64 PolarHBondContact O-N 2.94Å; I60-V64 VanDerWaalsContact O-N 3.08Å; V64-G68 PolarHBondContact O-N 2.97Å |
| 65 | W | 95.8 | Very high | 92.2 | Very high | 69 Ų | 69 | 59.9 Ų | 59.9 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -61.8 | -45.1 | 175.3 | 168.1 | 84.4 | 0 | 0 | 0 | 112 | A14 I15 K18 R61 F62 G68 V69 | A14-W65 HydrophobicContact CB-CH2 4.33Å; I15-W65 HydrophobicContact CG1-CZ3 4.42Å; K18-W65 HydrophobicContact CB-CD2 4.35Å; K18-W65 HydrophobicContact CB-CE3 4.12Å; K18-W65 HydrophobicContact CB-CH2 3.56Å; K18-W65 HydrophobicContact CB-CZ2 3.8Å; K18-W65 HydrophobicContact CB-CZ3 3.73Å; K18-W65 HydrophobicContact CD-CD2 3.91Å; K18-W65 HydrophobicContact CD-CE3 4.44Å; K18-W65 HydrophobicContact CD-CG 4.21Å; K18-W65 HydrophobicContact CD-CZ2 4.08Å; K18-W65 HydrophobicContact CG-CD2 3.68Å; K18-W65 HydrophobicContact CG-CE3 3.71Å; K18-W65 HydrophobicContact CG-CG 4.32Å; K18-W65 HydrophobicContact CG-CH2 4.02Å; K18-W65 HydrophobicContact CG-CZ2 3.98Å; K18-W65 HydrophobicContact CG-CZ3 3.88Å; R61-W65 WeakPolarHBondContact O-CB 3.43Å; R61-W65 PolarHBondContact O-N 3.15Å; F62-W65 HydrophobicContact CD2-CE3 4.02Å; F62-W65 HydrophobicContact CD2-CZ3 4.23Å; F62-W65 AromaticContact CE2-CE3 3.85Å; F62-W65 HydrophobicContact CE2-CE3 3.85Å; F62-W65 AromaticContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CE2-CZ3 3.6Å; F62-W65 HydrophobicContact CZ-CE3 4.49Å; F62-W65 HydrophobicContact CZ-CZ3 4.13Å; F62-W65 PolarHBondContact O-N 2.63Å; W65-G68 PolarHBondContact O-N 2.98Å; W65-V69 HydrophobicContact CD2-CG2 4.24Å; W65-V69 HydrophobicContact CZ2-CG2 3.93Å; W65-V69 WeakPolarHBondContact O-CG2 3.31Å; W65-V69 PolarHBondContact O-N 3.27Å |
| 66 | L | 95.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 65 Ų | 65 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -63.8 | -44.4 | -178 | 179.5 | 60.8 | 0 | 0 | 0 | 111.2 | I15 I34 V38 M47 F62 T63 V69 L70 | I15-L66 HydrophobicContact CD1-CD1 4.17Å; I15-L66 HydrophobicContact CG1-CD1 4.06Å; I34-L66 HydrophobicContact CG2-CD2 3.57Å; V38-L66 HydrophobicContact CG2-CD2 4.18Å; M47-L66 HydrophobicContact SD-CD2 3.93Å; F62-L66 HydrophobicContact CE1-CB 4.4Å; F62-L66 HydrophobicContact CE1-CD2 3.86Å; F62-L66 HydrophobicContact CZ-CD2 4.24Å; F62-L66 VanDerWaalsContact O-CB 3.31Å; F62-L66 WeakPolarHBondContact O-CB 3.49Å; F62-L66 PolarHBondContact O-N 3.17Å; T63-L66 PolarHBondContact O-N 3.32Å; L66-V69 PolarHBondContact O-N 2.81Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 3.87Å; L66-L70 WeakPolarHBondContact O-CB 3.31Å; L66-L70 WeakPolarHBondContact O-CD1 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.5Å; L66-L70 PolarHBondContact O-N 3.24Å |
| 67 | H | 93.6 | Very high | 91.1 | Very high | 33 Ų | 33 | 67.9 Ų | 67.9 | 15% | 0.153 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.5 | -51.2 | 172.4 | -92.4 | -99.5 | 0 | 0 | 0 | 111.6 | Q44 M47 T63 V69 L70 D71 | Q44-H67 WeakPolarHBondContact CA-NE2 3.26Å; Q44-H67 PolarHBondContact N-NE2 3.03Å; M47-H67 VanDerWaalsContact CE-NE2 3.28Å; M47-H67 WeakPolarHBondContact CE-NE2 3.31Å; T63-H67 PolarHBondContact O-N 2.63Å; H67-V69 PolarHBondContact O-N 3.04Å; H67-L70 PolarHBondContact O-N 2.69Å; H67-D71 WeakPolarHBondContact O-CB 3.24Å; H67-D71 PolarHBondContact O-N 3.08Å |
| 68 | G | 94.4 | Very high | 89.6 | Confident | 34 Ų | 34 | 64.7 Ų | 64.7 | 35% | 0.351 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.5 | -32.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | V64 W65 K72 | V64-G68 PolarHBondContact O-N 2.97Å; W65-G68 PolarHBondContact O-N 2.98Å; G68-K72 WeakPolarHBondContact O-CB 3.32Å; G68-K72 WeakPolarHBondContact O-CD 3.43Å; G68-K72 WeakPolarHBondContact O-CG 3.42Å; G68-K72 PolarHBondContact O-N 3.38Å |
| 69 | V | 93.8 | Very high | 87.2 | Confident | 40 Ų | 40 | 70.2 Ų | 70.2 | 24% | 0.242 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -73.1 | -46.1 | 172.5 | 169.2 | 0 | 0 | 0 | 0 | 111.6 | W65 L66 H67 D71 K72 L73 | W65-V69 HydrophobicContact CD2-CG2 4.24Å; W65-V69 HydrophobicContact CZ2-CG2 3.93Å; W65-V69 WeakPolarHBondContact O-CG2 3.31Å; W65-V69 PolarHBondContact O-N 3.27Å; L66-V69 PolarHBondContact O-N 2.81Å; H67-V69 PolarHBondContact O-N 3.04Å; V69-D71 VanDerWaalsContact C-N 3.33Å; V69-D71 PolarHBondContact O-N 3.28Å; V69-K72 PolarHBondContact O-N 3.02Å; V69-L73 HydrophobicContact CG1-CD1 3.95Å; V69-L73 WeakPolarHBondContact O-CG 3.5Å; V69-L73 PolarHBondContact O-N 2.94Å |
| 70 | L | 91.8 | Very high | 84.9 | Confident | 11 Ų | 11 | 75.2 Ų | 75.2 | 6% | 0.058 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -65.7 | -35.5 | -178.7 | -69.6 | 167 | 0 | 0 | 0 | 112.7 | I11 V38 L66 H67 L73 R74 | I11-L70 HydrophobicContact CD1-CD2 4.22Å; V38-L70 HydrophobicContact CB-CD1 4.37Å; V38-L70 HydrophobicContact CG1-CD1 3.83Å; V38-L70 HydrophobicContact CG1-CD2 3.65Å; V38-L70 HydrophobicContact CG1-CG 4.41Å; V38-L70 HydrophobicContact CG2-CD1 3.63Å; L66-L70 HydrophobicContact CD1-CD1 3.99Å; L66-L70 HydrophobicContact CD1-CG 4.22Å; L66-L70 HydrophobicContact CG-CD1 3.87Å; L66-L70 WeakPolarHBondContact O-CB 3.31Å; L66-L70 WeakPolarHBondContact O-CD1 3.4Å; L66-L70 WeakPolarHBondContact O-CG 3.5Å; L66-L70 PolarHBondContact O-N 3.24Å; H67-L70 PolarHBondContact O-N 2.69Å; L70-L73 PolarHBondContact O-N 2.94Å; L70-R74 WeakPolarHBondContact O-CG 3.42Å; L70-R74 PolarHBondContact O-N 3.25Å |
| 71 | D | 92.2 | Very high | 82.6 | Confident | 74 Ų | 74 | 75.8 Ų | 75.8 | 40% | 0.396 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -77.7 | -32.7 | -179.5 | -64.1 | -32.2 | 0 | 0 | 0 | 111.8 | H67 V69 R74 S75 | H67-D71 WeakPolarHBondContact O-CB 3.24Å; H67-D71 PolarHBondContact O-N 3.08Å; V69-D71 VanDerWaalsContact C-N 3.33Å; V69-D71 PolarHBondContact O-N 3.28Å; D71-R74 PolarHBondContact O-N 2.73Å; D71-R74 IonicContact OD1-CZ 2.69Å; D71-R74 IonicContact OD1-NE 3.08Å; D71-R74 PolarHBondContact OD1-NE 3.34Å; D71-R74 IonicContact OD1-NH2 2.73Å; D71-R74 PolarHBondContact OD1-NH2 3.11Å; D71-S75 PolarHBondContact O-N 3.04Å |
| 72 | K | 90.1 | Very high | 80.1 | Confident | 149 Ų | 149 | 73.4 Ų | 73.4 | 65% | 0.648 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.7 | -39.5 | 165.5 | -73.8 | 171.7 | -171.8 | -62.3 | 0 | 112.5 | G68 V69 R74 S75 V76 | G68-K72 WeakPolarHBondContact O-CB 3.32Å; G68-K72 WeakPolarHBondContact O-CD 3.43Å; G68-K72 WeakPolarHBondContact O-CG 3.42Å; G68-K72 PolarHBondContact O-N 3.38Å; V69-K72 PolarHBondContact O-N 3.02Å; K72-R74 VanDerWaalsContact C-N 3.34Å; K72-S75 PolarHBondContact O-OG 3.42Å; K72-S75 VanDerWaalsContact O-OG 3.05Å; K72-V76 WeakPolarHBondContact O-CG2 3.31Å; K72-V76 PolarHBondContact O-N 3.36Å; K72-V76 VanDerWaalsContact O-N 3.14Å |
| 73 | L | 87.6 | Confident | 77.5 | Confident | 66 Ų | 66 | 81.6 Ų | 81.6 | 35% | 0.346 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -68.7 | -34.7 | 175.1 | -72.4 | 170.6 | 0 | 0 | 0 | 111.7 | I11 V69 L70 T77 | I11-L73 HydrophobicContact CD1-CD1 3.85Å; I11-L73 HydrophobicContact CG1-CD1 3.7Å; V69-L73 HydrophobicContact CG1-CD1 3.95Å; V69-L73 WeakPolarHBondContact O-CG 3.5Å; V69-L73 PolarHBondContact O-N 2.94Å; L70-L73 PolarHBondContact O-N 2.94Å; L73-T77 WeakPolarHBondContact O-CB 3.3Å; L73-T77 PolarHBondContact O-N 3.27Å; L73-T77 PolarHBondContact O-OG1 2.84Å |
| 74 | R | 85.3 | Confident | 75 | Confident | 114 Ų | 114 | 90.7 Ų | 90.7 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.8 | -53.6 | 170.4 | -80.2 | -177.6 | -95.1 | -93 | 8.5 | 111.2 | L70 D71 K72 V76 T77 T78 | L70-R74 WeakPolarHBondContact O-CG 3.42Å; L70-R74 PolarHBondContact O-N 3.25Å; D71-R74 PolarHBondContact O-N 2.73Å; D71-R74 IonicContact OD1-CZ 2.69Å; D71-R74 IonicContact OD1-NE 3.08Å; D71-R74 PolarHBondContact OD1-NE 3.34Å; D71-R74 IonicContact OD1-NH2 2.73Å; D71-R74 PolarHBondContact OD1-NH2 3.11Å; K72-R74 VanDerWaalsContact C-N 3.34Å; R74-V76 VanDerWaalsContact C-N 3.29Å; R74-V76 PolarHBondContact O-N 2.88Å; R74-T77 CarbonylContact O-C 3.5Å; R74-T77 WeakPolarHBondContact O-CA 3.35Å; R74-T77 PolarHBondContact O-N 2.94Å; R74-T78 WeakPolarHBondContact O-CG2 3.49Å; R74-T78 PolarHBondContact O-N 2.74Å; R74-T78 PolarHBondContact O-OG1 2.74Å |
| 75 | S | 85.4 | Confident | 72.4 | Confident | 66 Ų | 66 | 92.7 Ų | 92.7 | 46% | 0.462 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -59.2 | -37.3 | -177.2 | 67.8 | 0 | 0 | 0 | 0 | 113.2 | D71 K72 T77 T78 | D71-S75 PolarHBondContact O-N 3.04Å; K72-S75 PolarHBondContact O-OG 3.42Å; K72-S75 VanDerWaalsContact O-OG 3.05Å; S75-T77 VanDerWaalsContact C-N 3.27Å; S75-T77 PolarHBondContact O-N 3.04Å; S75-T78 WeakPolarHBondContact CA-OG1 3.35Å; S75-T78 PolarHBondContact O-OG1 3.43Å |
| 76 | V | 82.1 | Confident | 69.4 | Low | 119 Ų | 119 | 94.7 Ų | 94.7 | 72% | 0.721 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -71.9 | -19.6 | 175.1 | 173.7 | 0 | 0 | 0 | 0 | 112.9 | K72 R74 | K72-V76 WeakPolarHBondContact O-CG2 3.31Å; K72-V76 PolarHBondContact O-N 3.36Å; K72-V76 VanDerWaalsContact O-N 3.14Å; R74-V76 VanDerWaalsContact C-N 3.29Å; R74-V76 PolarHBondContact O-N 2.88Å |
| 77 | T | 73.9 | Confident | 66.6 | Low | 102 Ų | 102 | 102 Ų | 102 | 63% | 0.626 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -97.1 | -17.2 | 178.4 | -50.1 | 0 | 0 | 0 | 0 | 112.9 | L73 R74 S75 | L73-T77 WeakPolarHBondContact O-CB 3.3Å; L73-T77 PolarHBondContact O-N 3.27Å; L73-T77 PolarHBondContact O-OG1 2.84Å; R74-T77 CarbonylContact O-C 3.5Å; R74-T77 WeakPolarHBondContact O-CA 3.35Å; R74-T77 PolarHBondContact O-N 2.94Å; S75-T77 VanDerWaalsContact C-N 3.27Å; S75-T77 PolarHBondContact O-N 3.04Å |
| 78 | T | 60.2 | Low | 64.1 | Low | 95 Ų | 95 | 106.4 Ų | 106.4 | 58% | 0.583 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -91.6 | 2.4 | -178.7 | 50.5 | 0 | 0 | 0 | 0 | 114.9 | R74 S75 P80 | R74-T78 WeakPolarHBondContact O-CG2 3.49Å; R74-T78 PolarHBondContact O-N 2.74Å; R74-T78 PolarHBondContact O-OG1 2.74Å; S75-T78 WeakPolarHBondContact CA-OG1 3.35Å; S75-T78 PolarHBondContact O-OG1 3.43Å; T78-P80 WeakPolarHBondContact O-CD 3.19Å |
| 79 | E | 40.5 | Very low | 61.1 | Low | 156 Ų | 156 | 112.5 Ų | 112.5 | 73% | 0.729 | 64% | 0.635 | S | S | * | * | trans | -100.7 | 90.3 | 174.6 | -71.7 | -61 | 140.1 | 0 | 0 | 111.1 | S81 | E79-S81 PolarHBondContact O-N 2.85Å; E79-S81 VanDerWaalsContact O-N 3.07Å | ||
| 80 | P | 47.8 | Very low | 58.2 | Low | 109 Ų | 109 | 117.6 Ų | 117.6 | 71% | 0.708 | 66% | 0.659 | S | S | * | * | trans | -79.8 | 89.7 | -179.8 | 33.3 | -36.8 | 0 | 0 | 0 | 111.9 | T78 S82 | T78-P80 WeakPolarHBondContact O-CD 3.19Å; P80-S82 PolarHBondContact O-N 3.35Å; P80-S82 VanDerWaalsContact O-N 3.11Å | ||
| 81 | S | 43.2 | Very low | 55.3 | Low | 121 Ų | 121 | 126 Ų | 126 | 85% | 0.846 | 70% | 0.695 | S | S | * | * | trans | 38.4 | 63.5 | 147.6 | 64.5 | 0 | 0 | 0 | 0 | 116.9 | E79 | E79-S81 PolarHBondContact O-N 2.85Å; E79-S81 VanDerWaalsContact O-N 3.07Å | ||
| 82 | S | 43 | Very low | 52.2 | Low | 109 Ų | 109 | 127.8 Ų | 127.8 | 76% | 0.762 | 71% | 0.705 | S | S | * | * | trans | -102.8 | 169.4 | 146.5 | -167.7 | 0 | 0 | 0 | 0 | 109 | P80 | P80-S82 PolarHBondContact O-N 3.35Å; P80-S82 VanDerWaalsContact O-N 3.11Å | ||
| 83 | L | 39.8 | Very low | 49.3 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 90% | 0.901 | 72% | 0.716 | S | S | * | * | trans | 65.8 | 101.8 | -170.9 | -49.8 | -179.1 | 0 | 0 | 0 | 114.4 | ||||
| 84 | K | 43.3 | Very low | 46.4 | Very low | 192 Ų | 192 | 129.9 Ų | 129.9 | 84% | 0.835 | 73% | 0.734 | S | S | * | * | trans | -126.6 | 126 | 159.1 | 177.4 | 175.1 | 177.2 | 178 | 0 | 108.5 | ||||
| 85 | S | 41.2 | Very low | 44.1 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 80% | 0.797 | 75% | 0.749 | S | S | * | * | trans | 61.4 | 152.8 | -179.5 | 32.2 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 86 | S | 33.9 | Very low | 41.9 | Very low | 111 Ų | 111 | 132.6 Ų | 132.6 | 78% | 0.776 | 76% | 0.762 | S | S | * | * | cis | -137.6 | 179.8 | 9 | 52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 87 | D | 35.8 | Very low | 39.2 | Very low | 155 Ų | 155 | 132.2 Ų | 132.2 | 83% | 0.829 | 77% | 0.765 | S | S | * | * | trans | -69.9 | 177.5 | -168.4 | -57.5 | -96.1 | 0 | 0 | 0 | 117.4 | ||||
| 88 | T | 40 | Very low | 36.9 | Very low | 126 Ų | 126 | 134.2 Ų | 134.2 | 77% | 0.773 | 77% | 0.771 | S | S | * | * | trans | -50.6 | 140.9 | -176.5 | 53.8 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 89 | N | 31.4 | Very low | 35.5 | Very low | 161 Ų | 161 | 138.4 Ų | 138.4 | 86% | 0.861 | 78% | 0.782 | S | S | * | * | -163 | 169.4 | 122.7 | -109.5 | -66.5 | 0 | 0 | 0 | 112.1 | |||||
| 90 | I | 33.3 | Very low | 34.8 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -127 | 156.3 | -177 | -56.7 | 177.4 | 0 | 0 | 0 | 109.3 | ||||
| 91 | F | 30.9 | Very low | 33.7 | Very low | 186 Ų | 186 | 136.9 Ų | 136.9 | 82% | 0.816 | 78% | 0.78 | S | S | * | * | trans | 99.1 | 125.4 | 167.8 | -95.3 | -75.9 | 0 | 0 | 0 | 120.2 | ||||
| 92 | D | 27.6 | Very low | 32.7 | Very low | 112 Ų | 112 | 139.6 Ų | 139.6 | 60% | 0.599 | 78% | 0.777 | S | S | * | * | trans | 22.5 | 132.5 | 161.6 | -92.2 | -74 | 0 | 0 | 0 | 124.2 | ||||
| 93 | S | 29 | Very low | 32 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 88% | 0.881 | 78% | 0.775 | S | S | * | * | -157.5 | 155.4 | 114.7 | -83.4 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 94 | N | 27.3 | Very low | 31.7 | Very low | 133 Ų | 133 | 143.2 Ų | 143.2 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -156.7 | 162.3 | -161.2 | -134.7 | -18.9 | 0 | 0 | 0 | 107.9 | ||||
| 95 | V | 36 | Very low | 31 | Very low | 124 Ų | 124 | 137.8 Ų | 137.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | cis | -134.2 | -155.9 | 14.8 | -134.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 96 | P | 39.7 | Very low | 30.5 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 74% | 0.74 | 78% | 0.775 | S | S | * | * | trans | -112.2 | -179 | -150.6 | 45.2 | -32.1 | 0 | 0 | 0 | 116.5 | ||||
| 97 | S | 25.5 | Very low | 30.4 | Very low | 111 Ų | 111 | 141.2 Ų | 141.2 | 78% | 0.776 | 77% | 0.772 | S | S | * | * | trans | -145.2 | 131 | 149.9 | -82.7 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 98 | N | 25.5 | Very low | 30.6 | Very low | 143 Ų | 143 | 141.7 Ų | 141.7 | 77% | 0.765 | 76% | 0.762 | S | S | * | * | cis | 92.9 | 143.6 | 41.1 | -170.8 | 18.9 | 0 | 0 | 0 | 112 | ||||
| 99 | K | 30.4 | Very low | 30.5 | Very low | 184 Ų | 184 | 144.6 Ų | 144.6 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 74 | 153.8 | -169.4 | -54.7 | 173.4 | -177 | 174.4 | 0 | 115.3 | ||||
| 100 | S | 26.5 | Very low | 30.9 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 75% | 0.749 | S | S | * | * | cis | -176.1 | 131.2 | -38.3 | 51.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 101 | N | 23.8 | Very low | 30.7 | Very low | 133 Ų | 133 | 143.5 Ų | 143.5 | 71% | 0.711 | 75% | 0.745 | S | S | * | * | trans | 21.9 | 136.9 | 142.4 | -62.9 | -0.4 | 0 | 0 | 0 | 122.9 | ||||
| 102 | F | 23.2 | Very low | 30.8 | Very low | 179 Ų | 179 | 139 Ų | 139 | 79% | 0.785 | 74% | 0.742 | S | S | * | * | trans | 83.4 | 104.7 | 143.9 | -60.7 | -44.6 | 0 | 0 | 0 | 122.6 | ||||
| 103 | S | 28.2 | Very low | 30.9 | Very low | 103 Ų | 103 | 137.7 Ų | 137.7 | 72% | 0.72 | 75% | 0.748 | S | S | * | * | 67.9 | 118.5 | 112.4 | -52.4 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 104 | R | 32.4 | Very low | 31 | Very low | 254 Ų | 254 | 138.2 Ų | 138.2 | 96% | 0.958 | 75% | 0.745 | S | S | * | * | -171.5 | 152.5 | 118.7 | -103.7 | 167.5 | 170.5 | -154.9 | -5.3 | 110.4 | |||||
| 105 | G | 28.8 | Very low | 31.9 | Very low | 78 Ų | 78 | 137.1 Ų | 137.1 | 80% | 0.804 | 75% | 0.745 | S | S | * | * | cis | -162 | 176.4 | 0.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 106 | D | 31.1 | Very low | 33.5 | Very low | 144 Ų | 144 | 136.4 Ų | 136.4 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | -119.3 | 152.6 | -171.6 | 170 | -81.5 | 0 | 0 | 0 | 111.1 | R108 | D106-R108 PolarHBondContact OD1-N 3.44Š| ||
| 107 | E | 32.6 | Very low | 32.8 | Very low | 152 Ų | 152 | 139 Ų | 139 | 71% | 0.71 | 75% | 0.749 | S | S | * | * | trans | -132.4 | 85.4 | 164.4 | -79.4 | -98.7 | 72.4 | 0 | 0 | 112.8 | ||||
| 108 | R | 38.8 | Very low | 32.9 | Very low | 166 Ų | 166 | 138.1 Ų | 138.1 | 63% | 0.626 | 75% | 0.75 | S | S | * | * | 94.1 | 95 | 109.2 | -165.6 | -172.6 | -63 | -123 | 2.8 | 120.9 | D106 | D106-R108 PolarHBondContact OD1-N 3.44Š| |||
| 109 | R | 39.6 | Very low | 33 | Very low | 187 Ų | 187 | 139.2 Ų | 139.2 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 70.4 | 160.9 | 136.1 | -59.5 | 175.6 | 155.8 | -136.3 | -3.3 | 119.5 | ||||
| 110 | H | 39.5 | Very low | 34.1 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 64% | 0.639 | 75% | 0.752 | S | S | * | * | cis | -135.5 | -176.1 | 7.5 | -51.2 | 68.2 | 0 | 0 | 0 | 109.7 | ||||
| 111 | E | 29.1 | Very low | 33.9 | Very low | 147 Ų | 147 | 137 Ų | 137 | 69% | 0.687 | 76% | 0.759 | S | S | * | * | cis | -160.7 | 170.5 | -3.1 | -154.8 | 53.4 | 112.7 | 0 | 0 | 111.3 | ||||
| 112 | A | 31.7 | Very low | 34.3 | Very low | 91 Ų | 91 | 136.8 Ų | 136.8 | 75% | 0.752 | 76% | 0.762 | S | S | * | * | trans | 66.7 | 147.1 | 155.8 | 0 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 113 | A | 29.6 | Very low | 34.9 | Very low | 86 Ų | 86 | 138.4 Ų | 138.4 | 71% | 0.711 | 76% | 0.763 | S | S | * | * | cis | -168.9 | 162.3 | -22.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 114 | V | 31.2 | Very low | 35.7 | Very low | 136 Ų | 136 | 138.2 Ų | 138.2 | 82% | 0.824 | 76% | 0.759 | S | S | * | * | trans | 76.8 | 130.6 | 161.5 | -163.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 115 | P | 47.3 | Very low | 35.6 | Very low | 111 Ų | 111 | 132.5 Ų | 132.5 | 72% | 0.721 | 74% | 0.743 | S | S | * | * | trans | -127.2 | -153.7 | 169.8 | 47 | -33.8 | 0 | 0 | 0 | 112.3 | ||||
| 116 | P | 68.8 | Low | 35.7 | Very low | 108 Ų | 108 | 137.7 Ų | 137.7 | 70% | 0.701 | 74% | 0.744 | S | S | * | * | cis | -130.4 | -145.9 | -34.3 | 37.2 | -15.8 | 0 | 0 | 0 | 113.2 | ||||
| 117 | L | 25.8 | Very low | 35.9 | Very low | 168 Ų | 168 | 140 Ų | 140 | 88% | 0.88 | 74% | 0.742 | S | S | * | * | trans | 103.5 | 145.3 | 164.6 | -59 | 180 | 0 | 0 | 0 | 117.1 | ||||
| 118 | A | 25.9 | Very low | 35.5 | Very low | 94 Ų | 94 | 139.7 Ų | 139.7 | 78% | 0.777 | 75% | 0.745 | S | S | * | * | cis | -150 | -162.2 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 119 | I | 28.4 | Very low | 35.1 | Very low | 165 Ų | 165 | 137 Ų | 137 | 85% | 0.846 | 75% | 0.751 | S | S | * | * | trans | -122.4 | -142.4 | -158.6 | -7.5 | 174.2 | 0 | 0 | 0 | 117 | ||||
| 120 | P | 53.1 | Low | 34.8 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | -121.2 | 177.3 | -104 | 35.3 | -15.3 | 0 | 0 | 0 | 118.6 | |||||
| 121 | S | 22.6 | Very low | 34.2 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 83% | 0.832 | 77% | 0.771 | S | S | * | * | trans | -161 | -180 | 153.2 | -157.3 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 122 | T | 31.5 | Very low | 34.2 | Very low | 127 Ų | 127 | 137.4 Ų | 137.4 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | trans | -138.4 | -177.9 | -154.8 | 64.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 123 | R | 37.1 | Very low | 34.2 | Very low | 214 Ų | 214 | 139.2 Ų | 139.2 | 81% | 0.808 | 77% | 0.772 | S | S | * | * | cis | -150.8 | -76 | 17.7 | -159.3 | -174 | 160.3 | 170.3 | -7 | 121.3 | ||||
| 124 | P | 44.3 | Very low | 34 | Very low | 99 Ų | 99 | 140.7 Ų | 140.7 | 64% | 0.643 | 78% | 0.778 | S | S | * | * | -133.3 | 148.5 | -129.6 | 38.6 | -21.4 | 0 | 0 | 0 | 123.1 | |||||
| 125 | E | 31.3 | Very low | 34 | Very low | 133 Ų | 133 | 139.6 Ų | 139.6 | 62% | 0.621 | 78% | 0.776 | S | S | * | * | trans | 39.7 | 130.6 | 137 | -74.3 | -177.5 | 70.1 | 0 | 0 | 126.3 | R127 | E125-R127 IonicContact OE1-NH2 3.94Š| ||
| 126 | K | 30.5 | Very low | 33 | Very low | 188 Ų | 188 | 142.4 Ų | 142.4 | 82% | 0.817 | 78% | 0.78 | S | S | * | * | -169.3 | 126.2 | 111.7 | -98.2 | 166.1 | -176.6 | 176.6 | 0 | 109.3 | |||||
| 127 | R | 34.5 | Very low | 31 | Very low | 191 Ų | 191 | 144.8 Ų | 144.8 | 72% | 0.721 | 78% | 0.781 | S | S | * | * | 66.9 | 141.5 | 86.2 | -71.6 | -167.6 | -152.2 | -177.6 | 5.5 | 115.2 | E125 | E125-R127 IonicContact OE1-NH2 3.94Š| |||
| 128 | D | 25.5 | Very low | 31.1 | Very low | 146 Ų | 146 | 142.3 Ų | 142.3 | 78% | 0.781 | 78% | 0.778 | S | S | * | * | cis | -138 | 171.7 | 14.5 | -106.5 | -49.6 | 0 | 0 | 0 | 113.9 | ||||
| 129 | S | 30.1 | Very low | 31.3 | Very low | 109 Ų | 109 | 146.4 Ų | 146.4 | 76% | 0.762 | 78% | 0.779 | S | S | * | * | trans | -134.3 | 154.2 | -176.5 | -53 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 130 | R | 32.1 | Very low | 31.3 | Very low | 251 Ų | 251 | 144.3 Ų | 144.3 | 95% | 0.947 | 77% | 0.773 | S | S | * | * | trans | -151.1 | 154.4 | 157.7 | -107.3 | 175.6 | -159.3 | -150.9 | 3 | 112.4 | ||||
| 131 | V | 27.4 | Very low | 30.1 | Very low | 132 Ų | 132 | 144.4 Ų | 144.4 | 80% | 0.8 | 77% | 0.772 | S | S | * | * | trans | -148.1 | 161 | -162.7 | 175.5 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 132 | S | 29.4 | Very low | 30.4 | Very low | 98 Ų | 98 | 145.3 Ų | 145.3 | 69% | 0.685 | 77% | 0.767 | S | S | * | * | trans | 83.9 | 102.8 | 157.8 | -95.3 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 133 | T | 30.9 | Very low | 30.3 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | 41.7 | 115.5 | 110.3 | 61.8 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 134 | S | 27 | Very low | 30 | Very low | 118 Ų | 118 | 144.2 Ų | 144.2 | 83% | 0.825 | 76% | 0.761 | S | S | * | * | trans | -159.1 | 145.3 | 134.1 | 50.3 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 135 | S | 29.9 | Very low | 29.4 | Very low | 113 Ų | 113 | 145.7 Ų | 145.7 | 79% | 0.79 | 76% | 0.76 | S | S | * | * | cis | 97.9 | 154.2 | 35 | -159.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 136 | Q | 27.6 | Very low | 29.2 | Very low | 170 Ų | 170 | 143.4 Ų | 143.4 | 79% | 0.794 | 76% | 0.755 | S | S | * | * | trans | 77.8 | 153 | -171.1 | -58.7 | -169.5 | -52 | 0 | 0 | 116.9 | ||||
| 137 | E | 25.4 | Very low | 29.3 | Very low | 157 Ų | 157 | 143.2 Ų | 143.2 | 73% | 0.734 | 75% | 0.751 | S | S | * | * | cis | -172.9 | 153.1 | -40.7 | -121.9 | -178.7 | 107.3 | 0 | 0 | 110.3 | ||||
| 138 | S | 28 | Very low | 29 | Very low | 116 Ų | 116 | 141.3 Ų | 141.3 | 81% | 0.811 | 76% | 0.755 | S | S | * | * | trans | 66.9 | 161.7 | 159.9 | 84.3 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 139 | K | 30.6 | Very low | 29.3 | Very low | 181 Ų | 181 | 141.7 Ų | 141.7 | 79% | 0.787 | 76% | 0.757 | S | S | * | * | cis | -174.4 | 164.7 | -27.3 | -178.9 | -178.6 | -177.4 | 177.8 | 0 | 109.3 | ||||
| 140 | T | 27.8 | Very low | 29.3 | Very low | 120 Ų | 120 | 139.9 Ų | 139.9 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | trans | 69.3 | 150.4 | 174.1 | 74.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 141 | T | 28.5 | Very low | 29.3 | Very low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | cis | -157.8 | 164.1 | -12.7 | 14.5 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 142 | N | 29.8 | Very low | 29.4 | Very low | 138 Ų | 138 | 130.4 Ų | 130.4 | 74% | 0.738 | 74% | 0.744 | S | S | * | * | cis | -168.2 | 174.8 | 36.8 | -145.4 | -21.1 | 0 | 0 | 0 | 111.2 | ||||
| 143 | V | 28.6 | Very low | 29.5 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 70% | 0.697 | 75% | 0.748 | S | S | * | * | trans | 44.9 | 97.7 | 160.8 | -173.9 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 144 | R | 30.2 | Very low | 29.6 | Very low | 203 Ų | 203 | 136 Ų | 136 | 77% | 0.766 | 75% | 0.75 | S | S | * | * | 65.8 | 113.8 | 85.3 | -81.3 | -175.6 | 167.4 | -150.5 | 6.8 | 117.8 | |||||
| 145 | Q | 31.9 | Very low | 30.1 | Very low | 131 Ų | 131 | 136.1 Ų | 136.1 | 61% | 0.612 | 74% | 0.74 | S | S | * | * | 76.7 | 142.8 | 129.9 | -61.7 | -176.5 | -84.2 | 0 | 0 | 118.8 | |||||
| 146 | T | 28.3 | Very low | 30 | Very low | 84 Ų | 84 | 138.7 Ų | 138.7 | 52% | 0.515 | 74% | 0.742 | S | S | . | * | cis | -171.8 | 174 | -0.1 | 19.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 147 | Y | 32 | Very low | 30.2 | Very low | 185 Ų | 185 | 135.6 Ų | 135.6 | 73% | 0.725 | 74% | 0.74 | S | S | * | * | trans | 2.2 | 160.9 | 151.9 | 54.2 | -129.8 | 0 | 0 | 0 | 122.1 | ||||
| 148 | D | 28.9 | Very low | 31.1 | Very low | 151 Ų | 151 | 134 Ų | 134 | 81% | 0.807 | 74% | 0.741 | S | S | * | * | cis | -153.6 | -178.1 | 5.7 | -139.4 | -143.5 | 0 | 0 | 0 | 114.7 | ||||
| 149 | D | 30 | Very low | 31.3 | Very low | 154 Ų | 154 | 135.1 Ų | 135.1 | 82% | 0.824 | 74% | 0.742 | S | S | * | * | trans | -46.7 | -173.6 | 162.3 | -149.5 | -74.7 | 0 | 0 | 0 | 116.7 | ||||
| 150 | G | 31.7 | Very low | 31.8 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 73% | 0.732 | 74% | 0.744 | S | S | * | * | trans | 135.8 | 100 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 151 | A | 30.5 | Very low | 32.9 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 78% | 0.777 | 74% | 0.744 | S | S | * | * | trans | -107.1 | 168.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 152 | A | 29.4 | Very low | 33 | Very low | 90 Ų | 90 | 136.2 Ų | 136.2 | 74% | 0.744 | 74% | 0.744 | S | S | * | * | trans | 73.5 | 154.1 | 158.1 | 0 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 153 | T | 32.6 | Very low | 33.2 | Very low | 124 Ų | 124 | 138.7 Ų | 138.7 | 76% | 0.761 | 74% | 0.743 | S | S | * | * | cis | -165.5 | 174 | -18.1 | 31.5 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 154 | R | 33.5 | Very low | 33.3 | Very low | 221 Ų | 221 | 139.8 Ų | 139.8 | 83% | 0.834 | 74% | 0.74 | S | S | * | * | trans | 75.3 | 149.1 | 161.4 | -63.6 | -166.6 | 154.1 | -147.9 | -4.1 | 116.6 | ||||
| 155 | L | 36.3 | Very low | 34 | Very low | 119 Ų | 119 | 135.9 Ų | 135.9 | 62% | 0.623 | 74% | 0.741 | S | S | * | * | cis | -161.4 | 160.1 | -9.9 | -118.1 | 177.4 | 0 | 0 | 0 | 111.7 | ||||
| 156 | M | 29.1 | Very low | 34.2 | Very low | 167 Ų | 167 | 134.4 Ų | 134.4 | 82% | 0.823 | 75% | 0.752 | S | S | * | * | trans | 67.4 | 162.5 | 168.7 | -29.3 | -149.4 | 84.3 | 0 | 0 | 115.3 | ||||
| 157 | S | 31.3 | Very low | 35.1 | Very low | 106 Ų | 106 | 135.8 Ų | 135.8 | 74% | 0.741 | 76% | 0.762 | S | S | * | * | cis | -144.6 | -177.3 | -1 | -158.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 158 | T | 43.3 | Very low | 35.7 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 76% | 0.761 | 76% | 0.761 | S | S | * | * | trans | -80.1 | 163.6 | 174.9 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 159 | V | 32.8 | Very low | 36.2 | Very low | 138 Ų | 138 | 133.2 Ų | 133.2 | 84% | 0.836 | 76% | 0.763 | S | S | * | * | trans | 150.7 | 148.4 | 143.7 | 162.5 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 160 | K | 41.9 | Very low | 36.5 | Very low | 191 Ų | 191 | 133.4 Ų | 133.4 | 83% | 0.83 | 76% | 0.764 | S | S | * | * | trans | -112 | 168.3 | 166.6 | -62 | 177.3 | 172.3 | 177.8 | 0 | 108.4 | ||||
| 161 | P | 50.3 | Low | 36.7 | Very low | 113 Ų | 113 | 135 Ų | 135 | 73% | 0.734 | 76% | 0.759 | S | S | * | * | cis | -145.6 | -159.1 | 13.2 | 31.7 | -4.5 | 0 | 0 | 0 | 115.3 | ||||
| 162 | L | 29.9 | Very low | 36.8 | Very low | 141 Ų | 141 | 138.8 Ų | 138.8 | 74% | 0.738 | 77% | 0.765 | S | S | * | * | 106 | 133 | 128.4 | -144.2 | 77.3 | 0 | 0 | 0 | 122.4 | |||||
| 163 | R | 35.5 | Very low | 37 | Very low | 191 Ų | 191 | 140.3 Ų | 140.3 | 72% | 0.721 | 76% | 0.76 | S | S | * | * | trans | 62.8 | 162 | 147.7 | -94.5 | 179.2 | 137.3 | 103.5 | 9.7 | 119.7 | ||||
| 164 | E | 30.7 | Very low | 37.1 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 65% | 0.645 | 76% | 0.764 | S | S | * | * | cis | -162.3 | 163.8 | -13.6 | -167.6 | 152.6 | -141.8 | 0 | 0 | 110.1 | ||||
| 165 | P | 43.9 | Very low | 37.1 | Very low | 121 Ų | 121 | 139.2 Ų | 139.2 | 79% | 0.786 | 76% | 0.757 | S | S | * | * | trans | -121.2 | 136.4 | 176 | 38.1 | -25.3 | 0 | 0 | 0 | 117 | ||||
| 166 | A | 37 | Very low | 38.2 | Very low | 100 Ų | 100 | 139 Ų | 139 | 83% | 0.826 | 76% | 0.763 | S | S | * | * | trans | 177.9 | 161.6 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 167 | P | 47.1 | Very low | 38.8 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | cis | -116.4 | 168 | 31.1 | 16.1 | 9.7 | 0 | 0 | 0 | 113.5 | ||||
| 168 | S | 44.3 | Very low | 40.4 | Very low | 103 Ų | 103 | 139.8 Ų | 139.8 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | cis | 76.8 | 147.9 | 38.3 | 91.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 169 | E | 38.8 | Very low | 39.9 | Very low | 179 Ų | 179 | 141.3 Ų | 141.3 | 84% | 0.836 | 77% | 0.766 | S | S | * | * | cis | -104.6 | -115 | 11.7 | -64.3 | -174.5 | 70.7 | 0 | 0 | 115.5 | ||||
| 170 | D | 37.4 | Very low | 40.1 | Very low | 158 Ų | 158 | 141.6 Ų | 141.6 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | cis | -150.3 | 170.2 | 15.4 | -177.6 | 23.8 | 0 | 0 | 0 | 110.6 | ||||
| 171 | V | 36.1 | Very low | 40.6 | Very low | 105 Ų | 105 | 139.6 Ų | 139.6 | 64% | 0.636 | 76% | 0.76 | S | S | * | * | trans | -142.6 | 144.3 | -152.3 | 178.6 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 172 | I | 32.6 | Very low | 39.8 | Very low | 174 Ų | 174 | 141.8 Ų | 141.8 | 89% | 0.892 | 76% | 0.764 | S | S | * | * | trans | -136.4 | 143.1 | 147.9 | -60.7 | -175.5 | 0 | 0 | 0 | 109.9 | ||||
| 173 | D | 32.8 | Very low | 40.2 | Very low | 121 Ų | 121 | 141.7 Ų | 141.7 | 65% | 0.647 | 76% | 0.764 | S | S | * | * | trans | -125.8 | 147.9 | -170.3 | 163 | 50.7 | 0 | 0 | 0 | 112.9 | K175 | D173-K175 PolarHBondContact OD1-N 3.18Š| ||
| 174 | I | 33.9 | Very low | 40.6 | Very low | 164 Ų | 164 | 141 Ų | 141 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -142.9 | 86.4 | 150 | -53.1 | -176.6 | 0 | 0 | 0 | 111 | ||||
| 175 | K | 34.6 | Very low | 41.2 | Very low | 159 Ų | 159 | 141.2 Ų | 141.2 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | 47.2 | 128 | 127.8 | -163.5 | 175.9 | -179.3 | -173.9 | 0 | 121.4 | D173 | D173-K175 PolarHBondContact OD1-N 3.18Š| |||
| 176 | P | 58.8 | Low | 40.9 | Very low | 114 Ų | 114 | 142.8 Ų | 142.8 | 74% | 0.74 | 78% | 0.776 | S | S | * | * | trans | -101.6 | 174.1 | 172.7 | 41.2 | -36.2 | 0 | 0 | 0 | 114.7 | ||||
| 177 | E | 41.1 | Very low | 41.1 | Very low | 181 Ų | 181 | 145.2 Ų | 145.2 | 85% | 0.846 | 78% | 0.775 | S | S | * | * | trans | -157.2 | 170.3 | 146.5 | -101.6 | -163 | 143.5 | 0 | 0 | 110.5 | ||||
| 178 | P | 65.6 | Low | 40.4 | Very low | 109 Ų | 109 | 149 Ų | 149 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | trans | -121.8 | -172.5 | -147 | 45.7 | -35.7 | 0 | 0 | 0 | 116.4 | ||||
| 179 | D | 33.5 | Very low | 40.1 | Very low | 156 Ų | 156 | 148.7 Ų | 148.7 | 83% | 0.834 | 77% | 0.774 | S | S | * | * | trans | 172 | 147.6 | 147.1 | -88.8 | -14 | 0 | 0 | 0 | 108.3 | ||||
| 180 | D | 35.5 | Very low | 39.8 | Very low | 144 Ų | 144 | 147.8 Ų | 147.8 | 77% | 0.77 | 77% | 0.77 | S | S | * | * | cis | -153.8 | -176.7 | -27.3 | -163.6 | 2.3 | 0 | 0 | 0 | 108.1 | ||||
| 181 | L | 52.7 | Low | 39.4 | Very low | 149 Ų | 149 | 147.6 Ų | 147.6 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | trans | -89.6 | -159.3 | -170.4 | -69.1 | 167.9 | 0 | 0 | 0 | 115.1 | ||||
| 182 | I | 34.1 | Very low | 39.1 | Very low | 158 Ų | 158 | 149.3 Ų | 149.3 | 81% | 0.81 | 77% | 0.769 | S | S | * | * | trans | 70.6 | 148.5 | 164.3 | 64.5 | 159.2 | 0 | 0 | 0 | 120.1 | ||||
| 183 | D | 37.5 | Very low | 40.2 | Very low | 140 Ų | 140 | 145.2 Ų | 145.2 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | cis | -162.6 | -157.7 | -34.1 | -143.6 | -88.2 | 0 | 0 | 0 | 110.7 | ||||
| 184 | E | 44.2 | Very low | 40.1 | Very low | 176 Ų | 176 | 146.7 Ų | 146.7 | 82% | 0.822 | 76% | 0.761 | S | S | * | * | trans | -72.7 | 140.6 | -173.6 | -66.9 | -174.6 | 113.7 | 0 | 0 | 118.4 | ||||
| 185 | D | 43.7 | Very low | 40.2 | Very low | 143 Ų | 143 | 143.7 Ų | 143.7 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 56 | 169 | 137.4 | -152.9 | 24.6 | 0 | 0 | 0 | 123.7 | ||||
| 186 | L | 38.2 | Very low | 40.2 | Very low | 154 Ų | 154 | 144 Ų | 144 | 81% | 0.806 | 76% | 0.759 | S | S | * | * | trans | 103.8 | 139 | 162.6 | -58 | 179.5 | 0 | 0 | 0 | 119.9 | ||||
| 187 | N | 40.1 | Very low | 39.1 | Very low | 151 Ų | 151 | 146.8 Ų | 146.8 | 81% | 0.807 | 76% | 0.759 | S | S | * | * | trans | -103.1 | 139.5 | 172.7 | -76.9 | -87.7 | 0 | 0 | 0 | 110.9 | ||||
| 188 | F | 32.1 | Very low | 38.9 | Very low | 191 Ų | 191 | 148 Ų | 148 | 84% | 0.838 | 76% | 0.762 | S | S | * | * | trans | -172.3 | 123.6 | 135.5 | -117.9 | -132 | 0 | 0 | 0 | 109.4 | ||||
| 189 | V | 37.6 | Very low | 38 | Very low | 97 Ų | 97 | 148 Ų | 148 | 59% | 0.588 | 76% | 0.761 | S | S | * | * | 90.4 | 97.4 | 83.9 | 165.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 190 | Q | 32.5 | Very low | 37.7 | Very low | 159 Ų | 159 | 146.6 Ų | 146.6 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | 88.5 | 153.7 | 122.7 | -153.1 | -175.4 | -31.1 | 0 | 0 | 122.2 | |||||
| 191 | E | 29.3 | Very low | 37.4 | Very low | 154 Ų | 154 | 146.3 Ų | 146.3 | 72% | 0.72 | 76% | 0.762 | S | S | * | * | trans | 94.3 | 153.8 | 164.4 | -71.1 | -47.2 | 132.4 | 0 | 0 | 122.2 | ||||
| 192 | N | 31.1 | Very low | 36.4 | Very low | 142 Ų | 142 | 144.4 Ų | 144.4 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | -127.1 | -151.4 | -160.2 | -148.8 | 3 | 0 | 0 | 0 | 107.2 | ||||
| 193 | P | 55.8 | Low | 36.1 | Very low | 88 Ų | 88 | 144.9 Ų | 144.9 | 57% | 0.571 | 76% | 0.76 | S | S | * | * | cis | -136.8 | -168.2 | -17.4 | 29.7 | -4.5 | 0 | 0 | 0 | 115.3 | ||||
| 194 | L | 30.6 | Very low | 35.8 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 80% | 0.796 | 76% | 0.755 | S | S | * | * | trans | 86.1 | 122 | 161.8 | -50.5 | 173.3 | 0 | 0 | 0 | 116.6 | ||||
| 195 | S | 35.7 | Very low | 35.2 | Very low | 101 Ų | 101 | 146.2 Ų | 146.2 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | 88.9 | 119.2 | 34 | -66.9 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 196 | Q | 34.3 | Very low | 34.5 | Very low | 166 Ų | 166 | 142.8 Ų | 142.8 | 78% | 0.776 | 76% | 0.759 | S | S | * | * | 177.7 | 117.1 | 115.7 | -92.8 | -171 | 80.2 | 0 | 0 | 111.6 | |||||
| 197 | K | 36.8 | Very low | 33.9 | Very low | 172 Ų | 172 | 140.9 Ų | 140.9 | 75% | 0.748 | 76% | 0.759 | S | S | * | * | 78 | 122.9 | 85.3 | -74.5 | -176.1 | -165.7 | 169.3 | 0 | 116.4 | |||||
| 198 | K | 36.2 | Very low | 33.6 | Very low | 206 Ų | 206 | 138.9 Ų | 138.9 | 90% | 0.896 | 76% | 0.756 | S | S | * | * | trans | -172.3 | 159.8 | 139 | -101.4 | 151.9 | -172.2 | 177.1 | 0 | 111.2 | ||||
| 199 | P | 46 | Very low | 34.1 | Very low | 108 Ų | 108 | 141 Ų | 141 | 70% | 0.701 | 76% | 0.759 | S | S | * | * | -143 | -163 | -119.7 | 41.1 | -19.9 | 0 | 0 | 0 | 117.2 | |||||
| 200 | T | 28.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 141.8 Ų | 141.8 | 78% | 0.779 | 77% | 0.766 | S | S | * | * | trans | 75.9 | 149 | 163.1 | 13.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 201 | V | 29 | Very low | 34.4 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 84% | 0.842 | 77% | 0.766 | S | S | * | * | cis | -131.9 | 158.7 | 11.1 | -176.1 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 202 | T | 31.1 | Very low | 34.4 | Very low | 108 Ų | 108 | 139.1 Ų | 139.1 | 66% | 0.663 | 77% | 0.769 | S | S | * | * | trans | -85.1 | 150 | -174.9 | -40.2 | 0 | 0 | 0 | 0 | 115.7 | T204 | T202-T204 HydrophobicContact CG2-CG2 4.07Š| ||
| 203 | L | 28.3 | Very low | 34.4 | Very low | 169 Ų | 169 | 140.1 Ų | 140.1 | 89% | 0.885 | 77% | 0.769 | S | S | * | * | trans | -158.1 | 148.3 | 137.8 | -115.6 | 170.8 | 0 | 0 | 0 | 111.5 | ||||
| 204 | T | 31.6 | Very low | 33.2 | Very low | 106 Ų | 106 | 143.6 Ų | 143.6 | 65% | 0.65 | 78% | 0.781 | S | S | * | * | trans | -152.4 | 138.2 | -163.7 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | T202 | T202-T204 HydrophobicContact CG2-CG2 4.07Š| ||
| 205 | Y | 30 | Very low | 33.1 | Very low | 237 Ų | 237 | 146.3 Ų | 146.3 | 93% | 0.929 | 78% | 0.782 | S | S | * | * | trans | -149.5 | 142.6 | 145 | -94.4 | -86.6 | 0 | 0 | 0 | 105.1 | ||||
| 206 | G | 28.8 | Very low | 32.8 | Very low | 72 Ų | 72 | 151.7 Ų | 151.7 | 74% | 0.742 | 79% | 0.787 | S | S | * | * | cis | 93.9 | 122.7 | 48 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 207 | S | 26.5 | Very low | 33.6 | Very low | 113 Ų | 113 | 149 Ų | 149 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | cis | -155.2 | -178.5 | 8.1 | -174.9 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 208 | S | 33.4 | Very low | 34.2 | Very low | 109 Ų | 109 | 146.8 Ų | 146.8 | 76% | 0.762 | 79% | 0.787 | S | S | * | * | trans | -141.9 | 114.2 | 165.5 | -87 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 209 | R | 43 | Very low | 33.8 | Very low | 236 Ų | 236 | 141.4 Ų | 141.4 | 89% | 0.891 | 78% | 0.781 | S | S | * | * | trans | 68.7 | 170.3 | 167 | -60.4 | -174.5 | -179 | -128.5 | -2.5 | 113.5 | ||||
| 210 | P | 50.5 | Low | 33.2 | Very low | 114 Ų | 114 | 141.2 Ų | 141.2 | 74% | 0.74 | 78% | 0.782 | S | S | * | * | cis | -136.5 | -153.1 | 14.1 | 43.9 | -24 | 0 | 0 | 0 | 115.4 | ||||
| 211 | S | 25.4 | Very low | 33.5 | Very low | 107 Ų | 107 | 146 Ų | 146 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | 75 | 148.6 | 167.1 | 11.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 212 | I | 30.5 | Very low | 33.6 | Very low | 150 Ų | 150 | 145.9 Ų | 145.9 | 77% | 0.769 | 78% | 0.781 | S | S | * | * | cis | -151.4 | 179.4 | -9.2 | -163.3 | 49.7 | 0 | 0 | 0 | 111 | ||||
| 213 | E | 30.8 | Very low | 34 | Very low | 162 Ų | 162 | 145.1 Ų | 145.1 | 76% | 0.757 | 79% | 0.785 | S | S | * | * | trans | -70.7 | 177.4 | -173 | -57.7 | 167.2 | 118 | 0 | 0 | 117.7 | ||||
| 214 | I | 31.1 | Very low | 34.3 | Very low | 161 Ų | 161 | 144.1 Ų | 144.1 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | 133.9 | 138.5 | 149.8 | -73.8 | 166.6 | 0 | 0 | 0 | 111 | ||||
| 215 | Y | 26.7 | Very low | 34.4 | Very low | 210 Ų | 210 | 144.7 Ų | 144.7 | 82% | 0.824 | 79% | 0.789 | S | S | * | * | cis | -128.6 | -127.4 | 8.4 | -174.3 | -124.7 | 0 | 0 | 0 | 113.4 | ||||
| 216 | R | 30.5 | Very low | 34.5 | Very low | 213 Ų | 213 | 136.7 Ų | 136.7 | 80% | 0.804 | 78% | 0.779 | S | S | * | * | trans | -145.8 | 168.9 | -177.2 | -103.8 | -165 | -177.3 | 117.2 | 4.8 | 112.4 | ||||
| 217 | P | 50.1 | Low | 34.7 | Very low | 110 Ų | 110 | 139 Ų | 139 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | trans | -85.2 | -168.5 | 178.5 | 43.7 | -41.6 | 0 | 0 | 0 | 110.9 | ||||
| 218 | P | 49.5 | Very low | 35 | Very low | 125 Ų | 125 | 141.5 Ų | 141.5 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | cis | -132.1 | -170.1 | 32 | 46.7 | -26.6 | 0 | 0 | 0 | 113.6 | ||||
| 219 | A | 27.8 | Very low | 34.9 | Very low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 77% | 0.772 | S | S | * | * | cis | -137.7 | 151.7 | 39.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 220 | S | 33.4 | Very low | 34.2 | Very low | 104 Ų | 104 | 137.4 Ų | 137.4 | 73% | 0.727 | 76% | 0.763 | S | S | * | * | cis | 86.7 | 97.9 | 35.8 | -171.2 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 221 | R | 35 | Very low | 33.3 | Very low | 228 Ų | 228 | 142.4 Ų | 142.4 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | -167.3 | 115.8 | 125.6 | -111.9 | 178.9 | 169.3 | -171.2 | -5 | 113.3 | |||||
| 222 | N | 32.3 | Very low | 33.5 | Very low | 137 Ų | 137 | 143.8 Ų | 143.8 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | 43.5 | 117.5 | 140.9 | -54.1 | 12.3 | 0 | 0 | 0 | 119 | ||||
| 223 | A | 38.2 | Very low | 33.4 | Very low | 91 Ų | 91 | 144.6 Ų | 144.6 | 75% | 0.752 | 77% | 0.766 | S | S | * | * | 79.5 | 146 | 70.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 224 | D | 35.9 | Very low | 33.3 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 77% | 0.767 | S | S | * | * | cis | -156.4 | 176.1 | 11 | -143 | -43.3 | 0 | 0 | 0 | 112.6 | ||||
| 225 | S | 33.1 | Very low | 33.2 | Very low | 117 Ų | 117 | 144.3 Ų | 144.3 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | trans | 68.4 | 143.2 | 168.8 | -54.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 226 | G | 31.7 | Very low | 33.3 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | cis | -173.4 | 148.5 | -5.8 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 227 | V | 33.4 | Very low | 33.3 | Very low | 120 Ų | 120 | 137.4 Ų | 137.4 | 73% | 0.727 | 74% | 0.744 | S | S | * | * | trans | -42.2 | 153.9 | 173.8 | -112.4 | 0 | 0 | 0 | 0 | 115.2 | L229 | V227-L229 HydrophobicContact CG1-CD1 4.13Š| ||
| 228 | H | 32.4 | Very low | 32.3 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | cis | -152.3 | 145 | 41 | -116.5 | -98.3 | 0 | 0 | 0 | 109.1 | ||||
| 229 | L | 31.4 | Very low | 31.3 | Very low | 125 Ų | 125 | 139.5 Ų | 139.5 | 65% | 0.654 | 74% | 0.737 | S | S | * | * | 62 | 133.4 | 52.6 | -65 | -179.6 | 0 | 0 | 0 | 115.8 | V227 | V227-L229 HydrophobicContact CG1-CD1 4.13Š| |||
| 230 | N | 29.3 | Very low | 31.3 | Very low | 134 Ų | 134 | 140 Ų | 140 | 72% | 0.717 | 74% | 0.735 | S | S | * | * | cis | -175.2 | -178.1 | -17.3 | -152.5 | -53.3 | 0 | 0 | 0 | 108.8 | ||||
| 231 | R | 30.1 | Very low | 31.2 | Very low | 219 Ų | 219 | 142 Ų | 142 | 83% | 0.826 | 74% | 0.737 | S | S | * | * | trans | 67.4 | 120 | 153.8 | -176.4 | 178.1 | -69.5 | -113.3 | -2.2 | 117.4 | ||||
| 232 | L | 29.2 | Very low | 31 | Very low | 136 Ų | 136 | 139.6 Ų | 139.6 | 71% | 0.712 | 74% | 0.735 | S | S | * | * | 82.1 | 127.9 | 50.4 | -75.1 | 168.1 | 0 | 0 | 0 | 116.4 | |||||
| 233 | Q | 29.5 | Very low | 30.8 | Very low | 167 Ų | 167 | 137.8 Ų | 137.8 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | 67.9 | 152.2 | 149.7 | -80 | 175.3 | -34 | 0 | 0 | 119 | ||||
| 234 | F | 28.6 | Very low | 30.2 | Very low | 176 Ų | 176 | 137.4 Ų | 137.4 | 77% | 0.772 | 74% | 0.736 | S | S | * | * | cis | -166.5 | 171.5 | -20 | -145 | -130.5 | 0 | 0 | 0 | 109.7 | ||||
| 235 | Q | 28.5 | Very low | 30.1 | Very low | 142 Ų | 142 | 139.9 Ų | 139.9 | 66% | 0.664 | 74% | 0.74 | S | S | * | * | trans | 74.3 | 98.4 | 144.5 | -156.4 | 155.4 | 4.9 | 0 | 0 | 123.9 | ||||
| 236 | Q | 28.9 | Very low | 30 | Very low | 132 Ų | 132 | 141.8 Ų | 141.8 | 62% | 0.617 | 74% | 0.735 | S | S | * | * | 72.4 | 122.7 | 116.2 | -167.2 | 178.4 | 7.4 | 0 | 0 | 124.4 | |||||
| 237 | Q | 31.3 | Very low | 30.1 | Very low | 145 Ų | 145 | 144 Ų | 144 | 68% | 0.678 | 73% | 0.73 | S | S | * | * | trans | 71 | 159.4 | 152.3 | -74.7 | 173.4 | 16.1 | 0 | 0 | 118.2 | ||||
| 238 | Q | 29.5 | Very low | 29.9 | Very low | 139 Ų | 139 | 144.8 Ų | 144.8 | 65% | 0.65 | 73% | 0.73 | S | S | * | * | cis | -157 | 158.9 | 15.3 | -139.7 | 167 | 71.4 | 0 | 0 | 112.3 | ||||
| 239 | N | 27.5 | Very low | 30 | Very low | 140 Ų | 140 | 143.7 Ų | 143.7 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 65.7 | 160.9 | 160.9 | -57.6 | -29.6 | 0 | 0 | 0 | 119.4 | ||||
| 240 | S | 28.1 | Very low | 30 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 73% | 0.727 | 73% | 0.726 | S | S | * | * | cis | -172.6 | 177.8 | -31.4 | -173.5 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 241 | I | 31.7 | Very low | 29.8 | Very low | 146 Ų | 146 | 144.3 Ų | 144.3 | 75% | 0.749 | 73% | 0.727 | S | S | * | * | trans | 86.9 | 113.9 | 158.1 | -42.9 | -174.1 | 0 | 0 | 0 | 121.5 | ||||
| 242 | H | 30 | Very low | 29.7 | Very low | 177 Ų | 177 | 137.2 Ų | 137.2 | 82% | 0.819 | 71% | 0.711 | S | S | * | * | trans | 29.1 | 136.3 | 150.1 | -60 | -53.7 | 0 | 0 | 0 | 128 | ||||
| 243 | A | 27.4 | Very low | 29.6 | Very low | 99 Ų | 99 | 140 Ų | 140 | 82% | 0.818 | 71% | 0.712 | S | S | * | * | trans | 74.1 | 155.3 | 130.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 244 | A | 27 | Very low | 29.6 | Very low | 84 Ų | 84 | 138 Ų | 138 | 69% | 0.694 | 71% | 0.711 | S | S | * | * | cis | -171.8 | 152.4 | -28.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 245 | K | 33.9 | Very low | 29.6 | Very low | 201 Ų | 201 | 138.8 Ų | 138.8 | 87% | 0.874 | 71% | 0.71 | S | S | * | * | trans | 70.6 | 159.6 | 168.5 | -52.4 | 177 | 178.9 | 175.8 | 0 | 115.5 | ||||
| 246 | Q | 29.5 | Very low | 29.4 | Very low | 156 Ų | 156 | 140.6 Ų | 140.6 | 73% | 0.729 | 72% | 0.719 | S | S | * | * | cis | -155.6 | 145 | 11.3 | -161.3 | 169.9 | -20.6 | 0 | 0 | 113.6 | ||||
| 247 | L | 34.7 | Very low | 29.3 | Very low | 117 Ų | 117 | 141.1 Ų | 141.1 | 61% | 0.613 | 73% | 0.731 | S | S | * | * | trans | 50.5 | 154.3 | 158.4 | -71 | 166.5 | 0 | 0 | 0 | 119.9 | M249 | L247-M249 HydrophobicContact CD2-CB 4.41Å; L247-M249 HydrophobicContact CD2-CE 3.78Å | ||
| 248 | D | 30 | Very low | 29.1 | Very low | 136 Ų | 136 | 137.6 Ų | 137.6 | 73% | 0.727 | 73% | 0.733 | S | S | * | * | cis | -124.8 | 152.3 | 10.8 | -90.3 | -52.7 | 0 | 0 | 0 | 110.6 | ||||
| 249 | M | 32.9 | Very low | 28.9 | Very low | 142 Ų | 142 | 141.5 Ų | 141.5 | 70% | 0.7 | 74% | 0.742 | S | S | * | * | cis | 80.9 | 123 | 47.2 | -164.1 | 84.4 | 81.2 | 0 | 0 | 112.7 | L247 | L247-M249 HydrophobicContact CD2-CB 4.41Å; L247-M249 HydrophobicContact CD2-CE 3.78Å | ||
| 250 | Q | 33.3 | Very low | 28.9 | Very low | 136 Ų | 136 | 141.2 Ų | 141.2 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -172.6 | 162 | -8.6 | 173.2 | 59.4 | 37.5 | 0 | 0 | 110.3 | ||||
| 251 | N | 25.1 | Very low | 28.8 | Very low | 136 Ų | 136 | 141.9 Ų | 141.9 | 73% | 0.727 | 74% | 0.743 | S | S | * | * | trans | 82 | 158.1 | 164.2 | -66.1 | -34.1 | 0 | 0 | 0 | 121.9 | ||||
| 252 | S | 27.7 | Very low | 28.5 | Very low | 70 Ų | 70 | 143 Ų | 143 | 49% | 0.49 | 75% | 0.745 | S | S | . | * | cis | -175.4 | 150.9 | -40.5 | -150.1 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 253 | W | 26.2 | Very low | 29.3 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 74% | 0.742 | 73% | 0.733 | S | S | * | * | trans | 44.7 | 145.9 | 156.1 | -57.4 | -28.2 | 0 | 0 | 0 | 121.6 | Y255 | W253-Y255 HydrophobicContact CB-CE2 4.36Š| ||
| 254 | V | 29.7 | Very low | 29.2 | Very low | 125 Ų | 125 | 142.3 Ų | 142.3 | 76% | 0.758 | 73% | 0.733 | S | S | * | * | cis | 82.7 | 89.4 | 23.7 | -171.9 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 255 | Y | 28 | Very low | 29.4 | Very low | 192 Ų | 192 | 143.6 Ų | 143.6 | 75% | 0.753 | 73% | 0.732 | S | S | * | * | trans | -150.2 | 138.9 | 156 | -38.1 | -84.3 | 0 | 0 | 0 | 104.9 | W253 | W253-Y255 HydrophobicContact CB-CE2 4.36Š| ||
| 256 | E | 25.1 | Very low | 29.2 | Very low | 180 Ų | 180 | 140.6 Ų | 140.6 | 84% | 0.841 | 73% | 0.725 | S | S | * | * | cis | 87.5 | 138.7 | 29.1 | -164.8 | 159.4 | -156.2 | 0 | 0 | 115.3 | ||||
| 257 | T | 27.6 | Very low | 29 | Very low | 143 Ų | 143 | 140 Ų | 140 | 88% | 0.877 | 73% | 0.727 | S | S | * | * | trans | 68.7 | 146.9 | -165.7 | 72.4 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 258 | G | 25.8 | Very low | 28.8 | Very low | 70 Ų | 70 | 140.6 Ų | 140.6 | 72% | 0.722 | 74% | 0.74 | S | S | * | * | cis | 168.9 | 159.2 | -11.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 259 | R | 26.7 | Very low | 28.8 | Very low | 221 Ų | 221 | 140.5 Ų | 140.5 | 83% | 0.834 | 74% | 0.739 | S | S | * | * | trans | 68.3 | 118.8 | 168.5 | -68.2 | -170.7 | 178.4 | -80.5 | 1.2 | 120.8 | ||||
| 260 | L | 27 | Very low | 28.6 | Very low | 134 Ų | 134 | 140.7 Ų | 140.7 | 70% | 0.702 | 74% | 0.738 | S | S | * | * | 61.4 | 148.5 | 120.4 | -61.2 | 173 | 0 | 0 | 0 | 123.3 | |||||
| 261 | C | 25 | Very low | 28.6 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | 77.3 | 95.8 | 148.6 | -73.5 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 262 | E | 25.9 | Very low | 28.8 | Very low | 170 Ų | 170 | 140.1 Ų | 140.1 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | -23.9 | 160.2 | 114.5 | -75.6 | -76.8 | 117.3 | 0 | 0 | 115.8 | |||||
| 263 | P | 46.5 | Very low | 28.7 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 57% | 0.565 | 76% | 0.757 | S | S | * | * | cis | -139.9 | -169.9 | 1.7 | 31.5 | -7 | 0 | 0 | 0 | 115.8 | ||||
| 264 | E | 26.6 | Very low | 29.1 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | trans | 89.1 | 150.2 | 130.3 | -101.2 | 170.8 | -157.9 | 0 | 0 | 125.4 | ||||
| 265 | V | 30.2 | Very low | 30 | Very low | 111 Ų | 111 | 141.4 Ų | 141.4 | 67% | 0.673 | 75% | 0.747 | S | S | * | * | trans | 93.8 | 89.6 | 141.8 | 159.3 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 266 | L | 29.4 | Very low | 30 | Very low | 139 Ų | 139 | 140.3 Ų | 140.3 | 73% | 0.728 | 75% | 0.747 | S | S | * | * | 91.4 | 134.8 | 126 | -65.8 | -178.3 | 0 | 0 | 0 | 125.2 | |||||
| 267 | N | 26.6 | Very low | 30.1 | Very low | 144 Ų | 144 | 140.5 Ų | 140.5 | 77% | 0.77 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 119.1 | 139 | -65 | -13.6 | 0 | 0 | 0 | 122.9 | ||||
| 268 | S | 29.2 | Very low | 30.2 | Very low | 128 Ų | 128 | 145.8 Ų | 145.8 | 90% | 0.895 | 75% | 0.749 | S | S | * | * | -151.2 | 178.9 | 98.9 | -154.9 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 269 | L | 31.3 | Very low | 30.2 | Very low | 134 Ų | 134 | 149.7 Ų | 149.7 | 70% | 0.702 | 75% | 0.753 | S | S | * | * | trans | -128.4 | 177.4 | -154.5 | -166.1 | 60.6 | 0 | 0 | 0 | 113.6 | ||||
| 270 | E | 28.3 | Very low | 30.1 | Very low | 147 Ų | 147 | 144.4 Ų | 144.4 | 69% | 0.687 | 75% | 0.751 | S | S | * | * | trans | 67.3 | 146.2 | 167.5 | -95.3 | 80.2 | -112.7 | 0 | 0 | 117.7 | ||||
| 271 | E | 31.9 | Very low | 30.2 | Very low | 157 Ų | 157 | 142.2 Ų | 142.2 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | cis | -167.1 | 177.7 | -17.3 | -141.2 | -169.4 | -170.1 | 0 | 0 | 112.9 | ||||
| 272 | T | 29.6 | Very low | 30.5 | Very low | 102 Ų | 102 | 143.4 Ų | 143.4 | 63% | 0.626 | 74% | 0.74 | S | S | * | * | trans | 74.6 | 98.4 | 139.6 | -70.6 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 273 | Y | 26.2 | Very low | 30.7 | Very low | 225 Ų | 225 | 142.7 Ų | 142.7 | 88% | 0.882 | 74% | 0.735 | S | S | * | * | 60.9 | 133.3 | 129.3 | -106.2 | -110.3 | 0 | 0 | 0 | 123.6 | |||||
| 274 | S | 33.8 | Very low | 29.8 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 75% | 0.747 | S | S | * | * | trans | -106.4 | 170.2 | 156.6 | -138.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 275 | P | 48.3 | Very low | 29.8 | Very low | 94 Ų | 94 | 143.3 Ų | 143.3 | 61% | 0.61 | 74% | 0.744 | S | S | * | * | cis | -163.8 | -180 | 47.4 | 46.7 | -24 | 0 | 0 | 0 | 121.1 | ||||
| 276 | F | 28.9 | Very low | 29.7 | Very low | 170 Ų | 170 | 146.3 Ų | 146.3 | 75% | 0.746 | 75% | 0.753 | S | S | * | * | trans | 77.1 | 144 | 139.5 | -75.8 | -47 | 0 | 0 | 0 | 126.1 | ||||
| 277 | F | 28.4 | Very low | 29.9 | Very low | 183 Ų | 183 | 149.1 Ų | 149.1 | 80% | 0.803 | 76% | 0.762 | S | S | * | * | trans | 69.3 | 114.9 | 154.8 | -62.3 | -54.9 | 0 | 0 | 0 | 123.2 | ||||
| 278 | R | 28.4 | Very low | 30.3 | Very low | 254 Ų | 254 | 149.6 Ų | 149.6 | 96% | 0.958 | 77% | 0.765 | S | S | * | * | -155.6 | 171 | 117.2 | -112.9 | 179.4 | -167.5 | -119.4 | 2.4 | 112.3 | |||||
| 279 | N | 27.1 | Very low | 30.5 | Very low | 152 Ų | 152 | 150.5 Ų | 150.5 | 81% | 0.813 | 76% | 0.755 | S | S | * | * | trans | -141.9 | 175.7 | -174.2 | -161.4 | 17.5 | 0 | 0 | 0 | 109.8 | ||||
| 280 | S | 24 | Very low | 30.6 | Very low | 111 Ų | 111 | 148.9 Ų | 148.9 | 78% | 0.776 | 75% | 0.747 | S | S | * | * | trans | 80.3 | 150.8 | 177.3 | -56.5 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 281 | S | 29.2 | Very low | 30.9 | Very low | 88 Ų | 88 | 148.5 Ų | 148.5 | 62% | 0.615 | 74% | 0.743 | S | S | * | * | cis | -167.2 | 162.1 | -21.7 | -170.8 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 282 | E | 30 | Very low | 31.6 | Very low | 142 Ų | 142 | 151.6 Ų | 151.6 | 66% | 0.664 | 75% | 0.748 | S | S | * | * | trans | 77.7 | 140.7 | 144.6 | -94.3 | 158.3 | -102.5 | 0 | 0 | 126.2 | ||||
| 283 | K | 30.8 | Very low | 32.2 | Very low | 155 Ų | 155 | 156 Ų | 156 | 67% | 0.674 | 76% | 0.759 | S | S | * | * | trans | 99.5 | 82.9 | 140.5 | -78.3 | 159.7 | 177.5 | 144.7 | 0 | 123.8 | ||||
| 284 | M | 28.3 | Very low | 33.2 | Very low | 166 Ų | 166 | 156.3 Ų | 156.3 | 82% | 0.818 | 76% | 0.758 | S | S | * | * | 48.6 | 127.9 | 120.2 | 70 | 179.3 | 56.3 | 0 | 0 | 125.3 | |||||
| 285 | S | 25.4 | Very low | 33.3 | Very low | 109 Ų | 109 | 160.8 Ų | 160.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -171.8 | 111.7 | 132.3 | -167.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 286 | M | 28.4 | Very low | 32.8 | Very low | 173 Ų | 173 | 163.9 Ų | 163.9 | 85% | 0.852 | 78% | 0.776 | S | S | * | * | 62.3 | 98.1 | 74.2 | -66.1 | -152.5 | -52.5 | 0 | 0 | 115.9 | |||||
| 287 | E | 34.7 | Very low | 33.8 | Very low | 198 Ų | 198 | 161.6 Ų | 161.6 | 93% | 0.925 | 78% | 0.778 | S | S | * | * | -156.3 | 179.5 | 109.1 | 63.3 | -175.1 | 152.2 | 0 | 0 | 110.1 | |||||
| 288 | D | 34.8 | Very low | 34.1 | Very low | 154 Ų | 154 | 159.4 Ų | 159.4 | 82% | 0.824 | 78% | 0.779 | S | S | * | * | trans | -134.3 | -172.8 | -142.6 | -129.5 | -50.8 | 0 | 0 | 0 | 116.6 | ||||
| 289 | E | 33.6 | Very low | 34.4 | Very low | 148 Ų | 148 | 154 Ų | 154 | 69% | 0.692 | 77% | 0.774 | S | S | * | * | trans | 78.3 | 136.8 | 169.2 | -63.5 | -69.3 | 93.2 | 0 | 0 | 119.5 | ||||
| 290 | N | 33 | Very low | 34.7 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 53% | 0.529 | 77% | 0.77 | S | S | . | * | cis | -160.5 | 169.4 | -23.1 | -154.1 | -26.7 | 0 | 0 | 0 | 111.6 | ||||
| 291 | F | 33.4 | Very low | 35.4 | Very low | 139 Ų | 139 | 151.6 Ų | 151.6 | 61% | 0.61 | 77% | 0.769 | S | S | * | * | trans | 103.9 | 93.7 | 149.8 | -61.5 | -47.7 | 0 | 0 | 0 | 122.4 | ||||
| 292 | R | 46.9 | Very low | 35.5 | Very low | 222 Ų | 222 | 153 Ų | 153 | 84% | 0.838 | 77% | 0.774 | S | S | * | * | 89.8 | 145.1 | 129.8 | -63.1 | 169.5 | -165.3 | -120.6 | -3.7 | 117.8 | |||||
| 293 | K | 41.7 | Very low | 35.6 | Very low | 196 Ų | 196 | 152.6 Ų | 152.6 | 85% | 0.852 | 78% | 0.781 | S | S | * | * | trans | -132.9 | 177.3 | -157.2 | -57.6 | 177.4 | 179.4 | 177.6 | 0 | 111.2 | ||||
| 294 | R | 48.8 | Very low | 35.7 | Very low | 230 Ų | 230 | 153.6 Ų | 153.6 | 87% | 0.868 | 79% | 0.785 | S | S | * | * | trans | 104.3 | 139.8 | 160.2 | -56.5 | 159.8 | -171 | -179.3 | 4.5 | 114 | ||||
| 295 | K | 35.9 | Very low | 36.3 | Very low | 193 Ų | 193 | 152 Ų | 152 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | cis | -158.9 | 152.3 | -8.8 | -115.5 | 176.2 | -179.1 | -170.5 | 0 | 109.3 | ||||
| 296 | L | 38 | Very low | 36.6 | Very low | 160 Ų | 160 | 155.7 Ų | 155.7 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -112.4 | 157.1 | 163.5 | -72.3 | 173.2 | 0 | 0 | 0 | 109.9 | ||||
| 297 | P | 48.1 | Very low | 37.2 | Very low | 121 Ų | 121 | 155.4 Ų | 155.4 | 79% | 0.786 | 78% | 0.781 | S | S | * | * | trans | -106.6 | 136.3 | 157.2 | 35.2 | -26.1 | 0 | 0 | 0 | 112 | ||||
| 298 | V | 34.8 | Very low | 36.8 | Very low | 137 Ų | 137 | 154.4 Ų | 154.4 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | -141.9 | 110.1 | 168 | 174 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 299 | V | 35.5 | Very low | 37 | Very low | 140 Ų | 140 | 152.9 Ų | 152.9 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -163.3 | 135.8 | 172.3 | 177.1 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 300 | S | 34 | Very low | 37 | Very low | 104 Ų | 104 | 154.2 Ų | 154.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | cis | -154 | -161.6 | -15.4 | 53.1 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 301 | S | 37.3 | Very low | 36.9 | Very low | 109 Ų | 109 | 156.3 Ų | 156.3 | 76% | 0.762 | 78% | 0.783 | S | S | * | * | cis | -158.1 | -168 | 8.8 | -151.8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 302 | V | 32.9 | Very low | 36.8 | Very low | 117 Ų | 117 | 152.6 Ų | 152.6 | 71% | 0.709 | 78% | 0.784 | S | S | * | * | trans | -87.2 | 150.2 | 174.9 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | K304 | V302-K304 HydrophobicContact CG1-CB 4.29Š| ||
| 303 | V | 31.4 | Very low | 36.1 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -153.6 | 125.6 | 67.4 | 175.5 | 0 | 0 | 0 | 0 | 107.8 | |||||
| 304 | K | 33.7 | Very low | 35.5 | Very low | 175 Ų | 175 | 148.9 Ų | 148.9 | 76% | 0.761 | 78% | 0.779 | S | S | * | * | 84.3 | 82.2 | 55.5 | -164.9 | 179.8 | 178.7 | 178.2 | 0 | 116 | V302 | V302-K304 HydrophobicContact CG1-CB 4.29Š| |||
| 305 | V | 39.5 | Very low | 34.8 | Very low | 134 Ų | 134 | 146.3 Ų | 146.3 | 81% | 0.812 | 78% | 0.777 | S | S | * | * | trans | 33.8 | 122.2 | 135.8 | -171.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 306 | K | 31.8 | Very low | 34.9 | Very low | 185 Ų | 185 | 146 Ų | 146 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | -136.4 | 142.6 | 139 | -172.1 | 75.2 | 174.7 | -170.8 | 0 | 108.6 | ||||
| 307 | K | 40.3 | Very low | 34.9 | Very low | 168 Ų | 168 | 147.9 Ų | 147.9 | 73% | 0.73 | 78% | 0.783 | S | S | * | * | trans | -132.3 | 144.5 | 171.1 | -162.6 | -171.2 | -176.7 | -166.2 | 0 | 107.8 | ||||
| 308 | F | 27.1 | Very low | 34.4 | Very low | 176 Ų | 176 | 150.3 Ų | 150.3 | 77% | 0.772 | 78% | 0.784 | S | S | * | * | trans | -151.6 | 158.9 | 169.3 | -131.1 | -99 | 0 | 0 | 0 | 108.6 | ||||
| 309 | N | 38.8 | Very low | 34.2 | Very low | 123 Ų | 123 | 150.7 Ų | 150.7 | 66% | 0.658 | 78% | 0.781 | S | S | * | * | trans | -132.4 | 140.5 | 169.8 | -26 | -83.7 | 0 | 0 | 0 | 109.6 | ||||
| 310 | H | 34.3 | Very low | 34.2 | Very low | 176 Ų | 176 | 151 Ų | 151 | 82% | 0.815 | 78% | 0.778 | S | S | * | * | trans | -163.2 | 135.8 | 160.5 | -132.4 | 21 | 0 | 0 | 0 | 103.2 | ||||
| 311 | D | 31.5 | Very low | 34.1 | Very low | 142 Ų | 142 | 155.8 Ų | 155.8 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | cis | 67.7 | 136 | 45.2 | -70.9 | -63.2 | 0 | 0 | 0 | 113.6 | ||||
| 312 | G | 31.3 | Very low | 34 | Very low | 61 Ų | 61 | 153.4 Ų | 153.4 | 63% | 0.629 | 78% | 0.775 | S | S | * | * | trans | 86.9 | 118 | -158.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 313 | E | 31.6 | Very low | 34.2 | Very low | 175 Ų | 175 | 153.1 Ų | 153.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | cis | 85.9 | 132.1 | 41.3 | -63.7 | 176.5 | 153.7 | 0 | 0 | 113.6 | ||||
| 314 | E | 29.5 | Very low | 34.5 | Very low | 165 Ų | 165 | 157.7 Ų | 157.7 | 77% | 0.771 | 78% | 0.78 | S | S | * | * | trans | 64.3 | 152.7 | 157.2 | -70.8 | 164.2 | -166.2 | 0 | 0 | 117.6 | ||||
| 315 | E | 33.2 | Very low | 34.6 | Very low | 177 Ų | 177 | 156.3 Ų | 156.3 | 83% | 0.827 | 79% | 0.787 | S | S | * | * | cis | -147.1 | -167.2 | -18.5 | -136 | 171.9 | -163.4 | 0 | 0 | 110.4 | ||||
| 316 | E | 37.9 | Very low | 34.5 | Very low | 186 Ų | 186 | 153.5 Ų | 153.5 | 87% | 0.869 | 79% | 0.785 | S | S | * | * | trans | -78 | 145.8 | 172.6 | -56.1 | 174.9 | 154.8 | 0 | 0 | 111.1 | ||||
| 317 | E | 38.7 | Very low | 34.9 | Very low | 200 Ų | 200 | 150.3 Ų | 150.3 | 94% | 0.935 | 79% | 0.786 | S | S | * | * | trans | -154.4 | 154.5 | 148.3 | -138.6 | 171.1 | -162.5 | 0 | 0 | 112.5 | ||||
| 318 | E | 37 | Very low | 34.8 | Very low | 172 Ų | 172 | 150.2 Ų | 150.2 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -95.6 | 166.1 | -173.6 | -84 | 178.3 | 127.7 | 0 | 0 | 113.8 | ||||
| 319 | D | 31.4 | Very low | 35.4 | Very low | 144 Ų | 144 | 147.6 Ų | 147.6 | 77% | 0.77 | 80% | 0.795 | S | S | * | * | trans | 64.7 | 123 | 142 | -73.1 | -0.5 | 0 | 0 | 0 | 125.1 | ||||
| 320 | D | 35.7 | Very low | 35.4 | Very low | 148 Ų | 148 | 147.1 Ų | 147.1 | 79% | 0.791 | 80% | 0.802 | S | S | * | * | trans | 85.7 | 150.9 | 130.9 | -155.1 | 32.6 | 0 | 0 | 0 | 122.9 | ||||
| 321 | Y | 31.4 | Very low | 35.8 | Very low | 203 Ų | 203 | 143.8 Ų | 143.8 | 80% | 0.796 | 80% | 0.798 | S | S | * | * | trans | 71.3 | 86.9 | 154.7 | -129.4 | -94.1 | 0 | 0 | 0 | 122 | ||||
| 322 | G | 35 | Very low | 36 | Very low | 60 Ų | 60 | 143.1 Ų | 143.1 | 62% | 0.619 | 80% | 0.799 | S | S | * | * | 102.1 | 106.3 | 106.4 | 0 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 323 | S | 38 | Very low | 36.7 | Very low | 111 Ų | 111 | 145.5 Ų | 145.5 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | 75.2 | 120.2 | 139.5 | -69 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 324 | R | 36.9 | Very low | 37.4 | Very low | 230 Ų | 230 | 143.2 Ų | 143.2 | 87% | 0.868 | 80% | 0.803 | S | S | * | * | trans | 63.3 | 117.3 | 144.7 | -56.6 | 176.3 | 177.9 | -130.4 | -0.6 | 117 | ||||
| 325 | T | 36.3 | Very low | 38.1 | Very low | 146 Ų | 146 | 140.8 Ų | 140.8 | 90% | 0.896 | 80% | 0.802 | S | S | * | * | -176.6 | 166.7 | 72.5 | 36.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 326 | G | 35.8 | Very low | 38.9 | Very low | 76 Ų | 76 | 137 Ų | 137 | 78% | 0.784 | 80% | 0.801 | S | S | * | * | trans | 106.1 | 102.7 | 158 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 327 | S | 41.8 | Very low | 39.5 | Very low | 117 Ų | 117 | 137.4 Ų | 137.4 | 82% | 0.818 | 80% | 0.8 | S | S | * | * | trans | -80.4 | 135.4 | 177 | -52.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 328 | I | 36.8 | Very low | 40.2 | Very low | 166 Ų | 166 | 133.8 Ų | 133.8 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | -134.8 | 100 | 152.1 | 47.4 | 161.2 | 0 | 0 | 0 | 111.6 | S330 | I328-S330 PolarHBondContact O-N 3.04Š| ||
| 329 | S | 39.9 | Very low | 41.3 | Very low | 121 Ų | 121 | 134.4 Ų | 134.4 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -79.1 | 97.4 | 173.3 | -57.7 | 0 | 0 | 0 | 0 | 110.9 | S331 | S329-S331 PolarHBondContact O-N 3.34Š| ||
| 330 | S | 39.2 | Very low | 42.6 | Very low | 113 Ų | 113 | 139.4 Ų | 139.4 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | -87.6 | 100.6 | 175 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | I328 | I328-S330 PolarHBondContact O-N 3.04Š| ||
| 331 | S | 42.6 | Very low | 43.9 | Very low | 106 Ų | 106 | 143.5 Ų | 143.5 | 74% | 0.741 | 81% | 0.809 | S | S | * | * | trans | -85.6 | 112.1 | 178.4 | 43.4 | 0 | 0 | 0 | 0 | 111.3 | S329 S333 | S329-S331 PolarHBondContact O-N 3.34Å; S331-S333 PolarHBondContact O-N 3.39Å; S331-S333 VanDerWaalsContact O-N 3.09Å | ||
| 332 | V | 36.4 | Very low | 45.3 | Very low | 129 Ų | 129 | 138.3 Ų | 138.3 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -71 | 106.6 | 178.5 | 178.1 | 0 | 0 | 0 | 0 | 110 | V334 | V332-V334 PolarHBondContact O-N 2.98Å; V332-V334 VanDerWaalsContact O-N 3.08Å | ||
| 333 | S | 44.9 | Very low | 46.4 | Very low | 110 Ų | 110 | 141.5 Ų | 141.5 | 77% | 0.769 | 81% | 0.813 | S | S | * | * | trans | -69.1 | 102.4 | 174.7 | -67.5 | 0 | 0 | 0 | 0 | 110.8 | S331 | S331-S333 PolarHBondContact O-N 3.39Å; S331-S333 VanDerWaalsContact O-N 3.09Å | ||
| 334 | V | 46 | Very low | 48 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -66 | 126.6 | 175.8 | -175.8 | 0 | 0 | 0 | 0 | 109.7 | V332 A336 | V332-V334 PolarHBondContact O-N 2.98Å; V332-V334 VanDerWaalsContact O-N 3.08Å; V334-A336 PolarHBondContact O-N 3.26Å |
| 335 | P | 45.8 | Very low | 49.9 | Very low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 133.6 | 174.9 | -24.4 | 34.5 | 0 | 0 | 0 | 111.4 | K337 | P335-K337 PolarHBondContact O-N 3.08Š|
| 336 | A | 49.2 | Very low | 51.7 | Low | 96 Ų | 96 | 131.4 Ų | 131.4 | 79% | 0.793 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -56 | 130.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V334 | V334-A336 PolarHBondContact O-N 3.26Š|
| 337 | K | 51.3 | Low | 53.5 | Low | 195 Ų | 195 | 133.3 Ų | 133.3 | 85% | 0.848 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 129 | 174.4 | -78.6 | 174.6 | 176.5 | 168.6 | 0 | 108.9 | P335 E339 | P335-K337 PolarHBondContact O-N 3.08Å; K337-E339 PolarHBondContact O-N 3.32Å |
| 338 | P | 52.2 | Low | 55.3 | Low | 124 Ų | 124 | 135 Ų | 135 | 81% | 0.805 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -62.3 | 125.6 | 177.2 | 25.5 | -33.3 | 0 | 0 | 0 | 109.3 | R340 | P338-R340 PolarHBondContact O-N 3.44Š|
| 339 | E | 60.4 | Low | 57.5 | Low | 185 Ų | 185 | 131.3 Ų | 131.3 | 86% | 0.864 | 74% | 0.744 | S | S | * | * | P | Polyproline II helix | trans | -55.3 | 134.9 | 179.7 | -69.9 | -172.3 | 114 | 0 | 0 | 111.1 | K337 R341 | K337-E339 PolarHBondContact O-N 3.32Å; E339-R341 PolarHBondContact O-N 3.18Å |
| 340 | R | 58.8 | Low | 59.6 | Low | 250 Ų | 250 | 128.2 Ų | 128.2 | 94% | 0.943 | 73% | 0.726 | S | S | * | * | trans | -65.4 | 100.7 | 171.5 | -72.4 | -177.2 | 176.3 | 174 | -1.5 | 108.4 | P338 | P338-R340 PolarHBondContact O-N 3.44Š| ||
| 341 | R | 63.9 | Low | 61.9 | Low | 233 Ų | 233 | 127.6 Ų | 127.6 | 88% | 0.879 | 71% | 0.714 | S | S | * | * | trans | -52 | 137.9 | 173.2 | -67.7 | -175.9 | 177.3 | -173.7 | -1 | 109.7 | E339 S343 | E339-R341 PolarHBondContact O-N 3.18Å; R341-S343 PolarHBondContact O-N 3.28Å | ||
| 342 | P | 59.5 | Low | 64.3 | Low | 94 Ų | 94 | 129.9 Ų | 129.9 | 61% | 0.61 | 71% | 0.71 | S | S | * | * | trans | -58.3 | 127.3 | -179.2 | 22.4 | -33.2 | 0 | 0 | 0 | 110.9 | L344 | P342-L344 PolarHBondContact O-N 3.02Š| ||
| 343 | S | 59.3 | Low | 66.9 | Low | 127 Ų | 127 | 129.2 Ų | 129.2 | 89% | 0.888 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -69.6 | -2.1 | -170.3 | -160.3 | 0 | 0 | 0 | 0 | 114.9 | R341 | R341-S343 PolarHBondContact O-N 3.28Š|
| 344 | L | 71.4 | Confident | 69.2 | Low | 98 Ų | 98 | 129.3 Ų | 129.3 | 51% | 0.513 | 69% | 0.694 | S | S | . | * | S | Bend | trans | -106.5 | 140.1 | -176.9 | -63.9 | 177 | 0 | 0 | 0 | 110.9 | P342 K348 Q349 | P342-L344 PolarHBondContact O-N 3.02Å; L344-K348 HydrophobicContact CB-CB 4.37Å; L344-Q349 HydrophobicContact CB-CG 4.32Å; L344-Q349 PolarHBondContact O-NE2 3.46Å |
| 345 | P | 76.4 | Confident | 71.3 | Confident | 68 Ų | 68 | 127.1 Ų | 127.1 | 44% | 0.442 | 68% | 0.677 | S | S | . | * | trans | -62.6 | 152.3 | 174.2 | 28.3 | -35.3 | 0 | 0 | 0 | 110.5 | S347 K348 Q349 | P345-S347 PolarHBondContact O-N 3.27Å; P345-K348 HydrophobicContact CG-CB 4.28Å; P345-K348 HydrophobicContact CG-CD 4.33Å; P345-K348 HydrophobicContact CG-CG 4.22Å; P345-K348 PolarHBondContact O-N 2.92Å; P345-Q349 PolarHBondContact O-N 3.34Å | ||
| 346 | P | 73.4 | Confident | 73.6 | Confident | 110 Ų | 110 | 126 Ų | 126 | 71% | 0.714 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -54.2 | -30.7 | -175.1 | -29.4 | 36.2 | 0 | 0 | 0 | 115 | K348 Q349 | P346-K348 PolarHBondContact O-N 2.73Å; P346-Q349 PolarHBondContact O-N 3.07Å |
| 347 | S | 74.8 | Confident | 75.8 | Confident | 115 Ų | 115 | 127.2 Ų | 127.2 | 80% | 0.804 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -69.7 | -7.6 | 175.4 | 53.9 | 0 | 0 | 0 | 0 | 115.2 | P345 | P345-S347 PolarHBondContact O-N 3.27Š|
| 348 | K | 79.4 | Confident | 77.8 | Confident | 153 Ų | 153 | 120.8 Ų | 120.8 | 67% | 0.665 | 64% | 0.635 | S | S | * | * | G | 310 helix | trans | -116.8 | 3.3 | 173.3 | -69.3 | -168 | 174 | -169.8 | 0 | 113.1 | L344 P345 P346 | L344-K348 HydrophobicContact CB-CB 4.37Å; P345-K348 HydrophobicContact CG-CB 4.28Å; P345-K348 HydrophobicContact CG-CD 4.33Å; P345-K348 HydrophobicContact CG-CG 4.22Å; P345-K348 PolarHBondContact O-N 2.92Å; P346-K348 PolarHBondContact O-N 2.73Å |
| 349 | Q | 82.8 | Confident | 79.8 | Confident | 88 Ų | 88 | 118.9 Ų | 118.9 | 41% | 0.411 | 62% | 0.617 | S | S | . | * | S | Bend | trans | -85.8 | 142 | 174.4 | -64.8 | 179.6 | 10.3 | 0 | 0 | 109.7 | L344 P345 P346 | L344-Q349 HydrophobicContact CB-CG 4.32Å; L344-Q349 PolarHBondContact O-NE2 3.46Å; P345-Q349 PolarHBondContact O-N 3.34Å; P346-Q349 PolarHBondContact O-N 3.07Å |
| 350 | A | 83.8 | Confident | 81.4 | Confident | 56 Ų | 56 | 112 Ų | 112 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | P | Polyproline II helix | trans | -63.8 | 146.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | K352 L354 I355 | A350-K352 PolarHBondContact O-N 3.46Å; A350-L354 HydrophobicContact CB-CD2 4.45Å; A350-I355 HydrophobicContact CB-CD1 4.08Å; A350-I355 HydrophobicContact CB-CG1 3.81Å; A350-I355 WeakPolarHBondContact O-CD1 3.42Å |
| 351 | N | 88.7 | Confident | 83.1 | Confident | 101 Ų | 101 | 105.1 Ų | 105.1 | 54% | 0.54 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -57.7 | 133.6 | 176.9 | -175.2 | -45.2 | 0 | 0 | 0 | 109.7 | N353 L354 I355 | N351-N353 PolarHBondContact O-N 3Å; N351-N353 PolarHBondContact OD1-N 3.19Å; N351-N353 PolarHBondContact OD1-ND2 3.47Å; N351-L354 HydrophobicContact CB-CB 4.4Å; N351-L354 WeakPolarHBondContact O-CA 3.48Å; N351-L354 WeakPolarHBondContact O-CB 3.26Å; N351-L354 PolarHBondContact O-N 2.88Å; N351-I355 PolarHBondContact O-N 3.18Å; N351-I355 VanDerWaalsContact O-N 3.11Å |
| 352 | K | 91.3 | Very high | 84.4 | Confident | 153 Ų | 153 | 96.6 Ų | 96.6 | 67% | 0.665 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -48.1 | -37.8 | 179.9 | -177 | 179.9 | 176.3 | -177.4 | 0 | 112.8 | A350 I355 L356 | A350-K352 PolarHBondContact O-N 3.46Å; K352-I355 PolarHBondContact O-N 2.92Å; K352-L356 HydrophobicContact CG-CD1 4.03Å; K352-L356 HydrophobicContact CG-CG 4.44Å; K352-L356 WeakPolarHBondContact O-CB 3.32Å; K352-L356 VanDerWaalsContact O-CG 3.3Å; K352-L356 WeakPolarHBondContact O-CG 3.44Å; K352-L356 PolarHBondContact O-N 3.37Å |
| 353 | N | 92.4 | Very high | 85.9 | Confident | 115 Ų | 115 | 98 Ų | 98 | 62% | 0.615 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -70.2 | -33.3 | 179.3 | -58.1 | -75.7 | 0 | 0 | 0 | 112.8 | N351 K357 | N351-N353 PolarHBondContact O-N 3Å; N351-N353 PolarHBondContact OD1-N 3.19Å; N351-N353 PolarHBondContact OD1-ND2 3.47Å; N353-K357 WeakPolarHBondContact O-CB 3.45Å; N353-K357 PolarHBondContact O-N 2.93Å |
| 354 | L | 92.4 | Very high | 87.4 | Confident | 113 Ų | 113 | 97.8 Ų | 97.8 | 59% | 0.592 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -69.6 | -40.6 | 174.2 | -171.9 | 69.4 | 0 | 0 | 0 | 110.9 | A350 N351 K357 A358 | A350-L354 HydrophobicContact CB-CD2 4.45Å; N351-L354 HydrophobicContact CB-CB 4.4Å; N351-L354 WeakPolarHBondContact O-CA 3.48Å; N351-L354 WeakPolarHBondContact O-CB 3.26Å; N351-L354 PolarHBondContact O-N 2.88Å; L354-K357 PolarHBondContact O-N 3.19Å; L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.36Å |
| 355 | I | 91.3 | Very high | 88.2 | Confident | 81 Ų | 81 | 96.5 Ų | 96.5 | 42% | 0.415 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.9 | -48.2 | 174.9 | -60 | 172.5 | 0 | 0 | 0 | 110.2 | A350 N351 K352 K357 A358 I359 | A350-I355 HydrophobicContact CB-CD1 4.08Å; A350-I355 HydrophobicContact CB-CG1 3.81Å; A350-I355 WeakPolarHBondContact O-CD1 3.42Å; N351-I355 PolarHBondContact O-N 3.18Å; N351-I355 VanDerWaalsContact O-N 3.11Å; K352-I355 PolarHBondContact O-N 2.92Å; I355-K357 PolarHBondContact O-N 3.35Å; I355-A358 PolarHBondContact O-N 2.94Å; I355-I359 HydrophobicContact CG2-CD1 3.9Å; I355-I359 WeakPolarHBondContact O-CG1 3.46Å; I355-I359 PolarHBondContact O-N 3.3Å |
| 356 | L | 92.9 | Very high | 88.4 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.7 | -41.9 | 178 | -72.5 | 171.2 | 0 | 0 | 0 | 112.3 | K352 I359 S360 | K352-L356 HydrophobicContact CG-CD1 4.03Å; K352-L356 HydrophobicContact CG-CG 4.44Å; K352-L356 WeakPolarHBondContact O-CB 3.32Å; K352-L356 VanDerWaalsContact O-CG 3.3Å; K352-L356 WeakPolarHBondContact O-CG 3.44Å; K352-L356 PolarHBondContact O-N 3.37Å; L356-I359 PolarHBondContact O-N 3.41Å; L356-S360 PolarHBondContact O-N 3.22Å |
| 357 | K | 94.6 | Very high | 88.6 | Confident | 120 Ų | 120 | 96.6 Ų | 96.6 | 52% | 0.522 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -42.7 | 175 | -168.7 | -178.7 | -175.9 | -86.6 | 0 | 112.1 | N353 L354 I355 I359 S360 E361 | N353-K357 WeakPolarHBondContact O-CB 3.45Å; N353-K357 PolarHBondContact O-N 2.93Å; L354-K357 PolarHBondContact O-N 3.19Å; I355-K357 PolarHBondContact O-N 3.35Å; K357-I359 VanDerWaalsContact C-N 3.26Å; K357-I359 PolarHBondContact O-N 3.2Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.01Å; K357-S360 VanDerWaalsContact O-OG 3.12Å; K357-E361 IonicContact NZ-OE2 2.69Å; K357-E361 PolarHBondContact NZ-OE2 3.12Å; K357-E361 WeakPolarHBondContact O-CB 3.29Å; K357-E361 PolarHBondContact O-N 2.98Å |
| 358 | A | 93.6 | Very high | 88.6 | Confident | 60 Ų | 60 | 99.6 Ų | 99.6 | 50% | 0.496 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -35 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | L354 I355 A362 | L354-A358 WeakPolarHBondContact O-CB 3.39Å; L354-A358 PolarHBondContact O-N 3.36Å; I355-A358 PolarHBondContact O-N 2.94Å; A358-A362 VanDerWaalsContact O-CB 3.27Å; A358-A362 WeakPolarHBondContact O-CB 3.33Å; A358-A362 PolarHBondContact O-N 3.31Å; A358-A362 VanDerWaalsContact O-N 3.07Å |
| 359 | I | 94.8 | Very high | 87.8 | Confident | 84 Ų | 84 | 96.9 Ų | 96.9 | 43% | 0.431 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -69.3 | -45.9 | 174.4 | -67.7 | 165.9 | 0 | 0 | 0 | 111.1 | I355 L356 K357 A362 Q363 | I355-I359 HydrophobicContact CG2-CD1 3.9Å; I355-I359 WeakPolarHBondContact O-CG1 3.46Å; I355-I359 PolarHBondContact O-N 3.3Å; L356-I359 PolarHBondContact O-N 3.41Å; K357-I359 VanDerWaalsContact C-N 3.26Å; K357-I359 PolarHBondContact O-N 3.2Å; I359-A362 PolarHBondContact O-N 3.34Å; I359-Q363 VanDerWaalsContact O-CG 3.3Å; I359-Q363 WeakPolarHBondContact O-CG 3.4Å; I359-Q363 PolarHBondContact O-N 2.81Å |
| 360 | S | 93.9 | Very high | 86.7 | Confident | 42 Ų | 42 | 97.6 Ų | 97.6 | 29% | 0.294 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 178.6 | 71.3 | 0 | 0 | 0 | 0 | 111.7 | L356 K357 A362 Q363 E364 | L356-S360 PolarHBondContact O-N 3.22Å; K357-S360 PolarHBondContact O-N 3.4Å; K357-S360 PolarHBondContact O-OG 3.01Å; K357-S360 VanDerWaalsContact O-OG 3.12Å; S360-A362 VanDerWaalsContact C-N 3.32Å; S360-A362 PolarHBondContact O-N 3Å; S360-Q363 PolarHBondContact O-N 3.01Å; S360-Q363 VanDerWaalsContact O-N 3.12Å; S360-E364 WeakPolarHBondContact O-CB 3.49Å; S360-E364 VanDerWaalsContact O-CG 3.31Å; S360-E364 WeakPolarHBondContact O-CG 3.45Å; S360-E364 PolarHBondContact O-N 2.66Å |
| 361 | E | 94.7 | Very high | 85.3 | Confident | 105 Ų | 105 | 101.3 Ų | 101.3 | 49% | 0.491 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63.2 | -35.7 | 177.8 | -166.4 | 167.4 | 155.9 | 0 | 0 | 112 | K357 S365 | K357-E361 IonicContact NZ-OE2 2.69Å; K357-E361 PolarHBondContact NZ-OE2 3.12Å; K357-E361 WeakPolarHBondContact O-CB 3.29Å; K357-E361 PolarHBondContact O-N 2.98Å; E361-S365 WeakPolarHBondContact O-CB 3.48Å; E361-S365 PolarHBondContact O-N 2.86Å |
| 362 | A | 90.8 | Very high | 83 | Confident | 54 Ų | 54 | 106.8 Ų | 106.8 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.5 | -41.2 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | A358 I359 S360 S365 V366 | A358-A362 VanDerWaalsContact O-CB 3.27Å; A358-A362 WeakPolarHBondContact O-CB 3.33Å; A358-A362 PolarHBondContact O-N 3.31Å; A358-A362 VanDerWaalsContact O-N 3.07Å; I359-A362 PolarHBondContact O-N 3.34Å; S360-A362 VanDerWaalsContact C-N 3.32Å; S360-A362 PolarHBondContact O-N 3Å; A362-S365 WeakPolarHBondContact O-CB 3.48Å; A362-S365 PolarHBondContact O-N 3.34Å; A362-V366 WeakPolarHBondContact O-CG2 3.4Å; A362-V366 PolarHBondContact O-N 3.44Å |
| 363 | Q | 91.3 | Very high | 80.5 | Confident | 124 Ų | 124 | 104.8 Ų | 104.8 | 58% | 0.579 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.6 | -41 | 176.5 | -73.2 | 171.9 | -15.3 | 0 | 0 | 112 | I359 S360 V366 T367 | I359-Q363 VanDerWaalsContact O-CG 3.3Å; I359-Q363 WeakPolarHBondContact O-CG 3.4Å; I359-Q363 PolarHBondContact O-N 2.81Å; S360-Q363 PolarHBondContact O-N 3.01Å; S360-Q363 VanDerWaalsContact O-N 3.12Å; Q363-V366 PolarHBondContact O-N 3.47Å; Q363-T367 WeakPolarHBondContact O-CB 3.42Å; Q363-T367 WeakPolarHBondContact O-CG2 3.43Å; Q363-T367 PolarHBondContact O-N 2.96Å; Q363-T367 PolarHBondContact O-OG1 3.14Å |
| 364 | E | 90.1 | Very high | 78.4 | Confident | 122 Ų | 122 | 105.8 Ų | 105.8 | 57% | 0.57 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -61.1 | -41.7 | 171.3 | -73.5 | 168.1 | -138.2 | 0 | 0 | 111.2 | S360 T367 K368 | S360-E364 WeakPolarHBondContact O-CB 3.49Å; S360-E364 VanDerWaalsContact O-CG 3.31Å; S360-E364 WeakPolarHBondContact O-CG 3.45Å; S360-E364 PolarHBondContact O-N 2.66Å; E364-T367 WeakPolarHBondContact CA-OG1 3.44Å; E364-T367 PolarHBondContact O-OG1 2.84Å; E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 PolarHBondContact O-N 3.33Å |
| 365 | S | 88.4 | Confident | 75.8 | Confident | 70 Ų | 70 | 106.3 Ų | 106.3 | 49% | 0.49 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -61.1 | -49.4 | 174.9 | -171 | 0 | 0 | 0 | 0 | 112.5 | E361 A362 K368 T369 | E361-S365 WeakPolarHBondContact O-CB 3.48Å; E361-S365 PolarHBondContact O-N 2.86Å; A362-S365 WeakPolarHBondContact O-CB 3.48Å; A362-S365 PolarHBondContact O-N 3.34Å; S365-K368 PolarHBondContact O-N 2.66Å; S365-T369 PolarHBondContact O-N 2.94Å; S365-T369 PolarHBondContact O-OG1 2.9Å |
| 366 | V | 80.6 | Confident | 73.7 | Confident | 97 Ų | 97 | 108.3 Ų | 108.3 | 59% | 0.588 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.2 | -43.4 | 179.2 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | A362 Q363 K368 T369 T370 | A362-V366 WeakPolarHBondContact O-CG2 3.4Å; A362-V366 PolarHBondContact O-N 3.44Å; Q363-V366 PolarHBondContact O-N 3.47Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 PolarHBondContact O-N 3.17Å; V366-T369 PolarHBondContact O-N 2.96Å; V366-T369 PolarHBondContact O-OG1 3.44Å; V366-T369 VanDerWaalsContact O-OG1 3.13Å; V366-T370 PolarHBondContact O-N 3.39Å |
| 367 | T | 77.6 | Confident | 71.1 | Confident | 83 Ų | 83 | 113.1 Ų | 113.1 | 51% | 0.509 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.5 | -26.3 | 177.4 | 50.3 | 0 | 0 | 0 | 0 | 112.8 | Q363 E364 N371 | Q363-T367 WeakPolarHBondContact O-CB 3.42Å; Q363-T367 WeakPolarHBondContact O-CG2 3.43Å; Q363-T367 PolarHBondContact O-N 2.96Å; Q363-T367 PolarHBondContact O-OG1 3.14Å; E364-T367 WeakPolarHBondContact CA-OG1 3.44Å; E364-T367 PolarHBondContact O-OG1 2.84Å; T367-N371 PolarHBondContact O-ND2 3.23Å |
| 368 | K | 76.2 | Confident | 68.5 | Low | 178 Ų | 178 | 117.3 Ų | 117.3 | 77% | 0.774 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -77.4 | -31 | 174.3 | -168.1 | 170.5 | -171.8 | 173.6 | 0 | 113 | E364 S365 V366 | E364-K368 WeakPolarHBondContact O-CB 3.47Å; E364-K368 PolarHBondContact O-N 3.33Å; S365-K368 PolarHBondContact O-N 2.66Å; V366-K368 VanDerWaalsContact C-N 3.28Å; V366-K368 PolarHBondContact O-N 3.17Å |
| 369 | T | 62.2 | Low | 66.1 | Low | 96 Ų | 96 | 122.5 Ų | 122.5 | 59% | 0.589 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -84.1 | -25.4 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 114.1 | S365 V366 N371 | S365-T369 PolarHBondContact O-N 2.94Å; S365-T369 PolarHBondContact O-OG1 2.9Å; V366-T369 PolarHBondContact O-N 2.96Å; V366-T369 PolarHBondContact O-OG1 3.44Å; V366-T369 VanDerWaalsContact O-OG1 3.13Å; T369-N371 PolarHBondContact O-N 3Å |
| 370 | T | 59.1 | Low | 63.2 | Low | 103 Ų | 103 | 125.4 Ų | 125.4 | 63% | 0.632 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -75.7 | 0.2 | 179.6 | -162.9 | 0 | 0 | 0 | 0 | 115 | V366 Y372 | V366-T370 PolarHBondContact O-N 3.39Å; T370-Y372 PolarHBondContact O-N 2.78Å |
| 371 | N | 54.1 | Low | 60.3 | Low | 134 Ų | 134 | 130 Ų | 130 | 72% | 0.717 | 70% | 0.696 | S | S | * | * | trans | -94 | 42.9 | -177.2 | -86.8 | -75.4 | 0 | 0 | 0 | 113.8 | T367 T369 | T367-N371 PolarHBondContact O-ND2 3.23Å; T369-N371 PolarHBondContact O-N 3Å | ||
| 372 | Y | 41.8 | Very low | 57.9 | Low | 217 Ų | 217 | 130.8 Ų | 130.8 | 85% | 0.851 | 71% | 0.709 | S | S | * | * | P | Polyproline II helix | trans | -89.2 | 121.7 | 163.5 | -91.6 | -82.7 | 0 | 0 | 0 | 109.9 | T370 | T370-Y372 PolarHBondContact O-N 2.78Š|
| 373 | S | 38 | Very low | 55 | Low | 111 Ų | 111 | 135.2 Ų | 135.2 | 78% | 0.776 | 73% | 0.731 | S | S | * | * | P | Polyproline II helix | trans | -70.5 | 132.6 | -172.9 | -169.8 | 0 | 0 | 0 | 0 | 112.4 | V375 | S373-V375 PolarHBondContact O-N 2.99Š|
| 374 | T | 47.8 | Very low | 52.6 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 83% | 0.828 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 128.1 | 171 | -46.9 | 0 | 0 | 0 | 0 | 110.8 | ||
| 375 | V | 38 | Very low | 50.1 | Low | 125 Ų | 125 | 133.3 Ų | 133.3 | 76% | 0.758 | 75% | 0.746 | S | S | * | * | P | Polyproline II helix | trans | -102.9 | 135.2 | 172.2 | 177.4 | 0 | 0 | 0 | 0 | 108.5 | S373 | S373-V375 PolarHBondContact O-N 2.99Š|
| 376 | P | 46.2 | Very low | 47.5 | Very low | 122 Ų | 122 | 141 Ų | 141 | 79% | 0.792 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 134.7 | -167.9 | 30.7 | -35.6 | 0 | 0 | 0 | 113.5 | ||
| 377 | Q | 39.5 | Very low | 45.2 | Very low | 194 Ų | 194 | 142.8 Ų | 142.8 | 91% | 0.907 | 78% | 0.776 | S | S | * | * | trans | -109.7 | 147.4 | 166.4 | -167.9 | 162.6 | -13.8 | 0 | 0 | 110.3 | ||||
| 378 | K | 39.8 | Very low | 43.2 | Very low | 207 Ų | 207 | 149.4 Ų | 149.4 | 90% | 0.9 | 79% | 0.792 | S | S | * | * | trans | -77.7 | 158.9 | -166.1 | -69.6 | -176 | 176.7 | -179.1 | 0 | 114.2 | ||||
| 379 | Q | 43 | Very low | 41 | Very low | 169 Ų | 169 | 146.3 Ų | 146.3 | 79% | 0.79 | 79% | 0.788 | S | S | * | * | trans | -65.2 | 150.1 | 178.8 | -58.6 | 156.3 | -67.5 | 0 | 0 | 113.5 | ||||
| 380 | T | 33.9 | Very low | 39.3 | Very low | 145 Ų | 145 | 146.7 Ų | 146.7 | 89% | 0.89 | 79% | 0.794 | S | S | * | * | trans | -138 | 146.5 | 133.6 | -63.4 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 381 | L | 34.1 | Very low | 38 | Very low | 140 Ų | 140 | 149.3 Ų | 149.3 | 73% | 0.733 | 80% | 0.799 | S | S | * | * | trans | -97.7 | 144.5 | -163.7 | -65.4 | 165.6 | 0 | 0 | 0 | 113.1 | ||||
| 382 | P | 42.8 | Very low | 36.9 | Very low | 120 Ų | 120 | 150.1 Ų | 150.1 | 78% | 0.779 | 80% | 0.799 | S | S | * | * | trans | -96.3 | 133.7 | 165.8 | 35.1 | -29.7 | 0 | 0 | 0 | 112 | ||||
| 383 | V | 30.9 | Very low | 36.4 | Very low | 147 Ų | 147 | 147.5 Ų | 147.5 | 89% | 0.891 | 80% | 0.795 | S | S | * | * | trans | -141.4 | 144.2 | 168.3 | -175.9 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 384 | A | 40.5 | Very low | 35.9 | Very low | 80 Ų | 80 | 148.5 Ų | 148.5 | 66% | 0.661 | 79% | 0.79 | S | S | * | * | trans | -118.5 | 179.9 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 385 | P | 37.6 | Very low | 34.9 | Very low | 126 Ų | 126 | 149.6 Ų | 149.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -119.3 | 142.7 | 132.7 | 35.4 | -29.1 | 0 | 0 | 0 | 110.9 | ||||
| 386 | R | 33.4 | Very low | 34.4 | Very low | 232 Ų | 232 | 147.9 Ų | 147.9 | 88% | 0.875 | 79% | 0.789 | S | S | * | * | cis | 87.4 | 101.2 | 22 | -85.1 | -167.1 | 164.8 | 139.6 | -2.3 | 118.9 | ||||
| 387 | T | 32.9 | Very low | 33.5 | Very low | 135 Ų | 135 | 150.3 Ų | 150.3 | 83% | 0.828 | 79% | 0.79 | S | S | * | * | trans | -132.4 | 125.7 | 131.6 | 44.4 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 388 | R | 34.8 | Very low | 33 | Very low | 222 Ų | 222 | 147.2 Ų | 147.2 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | 66.6 | 118.1 | 62.9 | -75.6 | -162 | 72.4 | -178.7 | 1.6 | 112.6 | |||||
| 389 | T | 29.8 | Very low | 32.5 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 69% | 0.693 | 77% | 0.771 | S | S | * | * | cis | -136.3 | -167.1 | -11.1 | 48.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 390 | S | 28.2 | Very low | 31.8 | Very low | 104 Ų | 104 | 143.1 Ų | 143.1 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -156.4 | -169 | 13.6 | -28.3 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 391 | Q | 30.7 | Very low | 31.4 | Very low | 157 Ų | 157 | 139.8 Ų | 139.8 | 73% | 0.734 | 77% | 0.77 | S | S | * | * | cis | -162.1 | 155.5 | -10.5 | 156.1 | 172.7 | -29.4 | 0 | 0 | 106.5 | ||||
| 392 | E | 30.6 | Very low | 31.1 | Very low | 152 Ų | 152 | 142.4 Ų | 142.4 | 71% | 0.71 | 78% | 0.778 | S | S | * | * | trans | 61.7 | 128.1 | -178.1 | -82.3 | 152.4 | 86.5 | 0 | 0 | 114.3 | ||||
| 393 | E | 31.2 | Very low | 30.2 | Very low | 162 Ų | 162 | 142.5 Ų | 142.5 | 76% | 0.757 | 78% | 0.782 | S | S | * | * | 72.6 | 106.2 | 56.6 | -69.9 | -167 | 83.9 | 0 | 0 | 113.1 | |||||
| 394 | L | 28.8 | Very low | 29.9 | Very low | 131 Ų | 131 | 147 Ų | 147 | 69% | 0.686 | 78% | 0.783 | S | S | * | * | 73.7 | 110.4 | 98.3 | -67 | -178.3 | 0 | 0 | 0 | 111.6 | |||||
| 395 | L | 27.1 | Very low | 29.5 | Very low | 158 Ų | 158 | 149.6 Ų | 149.6 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | 69.6 | 148.6 | 77.6 | -78.5 | -171.2 | 0 | 0 | 0 | 113.7 | |||||
| 396 | A | 26.8 | Very low | 28.9 | Very low | 89 Ų | 89 | 149.6 Ų | 149.6 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | 67.5 | 143.5 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 397 | E | 26.7 | Very low | 28.4 | Very low | 173 Ų | 173 | 147.9 Ų | 147.9 | 81% | 0.808 | 79% | 0.789 | S | S | * | * | cis | -166.7 | -142.9 | -23.2 | -141.6 | -174.3 | 118.3 | 0 | 0 | 107 | ||||
| 398 | V | 30.3 | Very low | 28 | Very low | 129 Ų | 129 | 149.5 Ų | 149.5 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | 82.1 | 126.1 | 151.4 | -177.1 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 399 | V | 27.5 | Very low | 27.7 | Very low | 102 Ų | 102 | 143.9 Ų | 143.9 | 62% | 0.618 | 79% | 0.786 | S | S | * | * | cis | -165.2 | 172.8 | -24.8 | 81.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 400 | Q | 28.7 | Very low | 28.1 | Very low | 188 Ų | 188 | 144.2 Ų | 144.2 | 88% | 0.879 | 79% | 0.79 | S | S | * | * | trans | 63.8 | 121 | 164.8 | -73.1 | 155 | 21.8 | 0 | 0 | 118.3 | ||||
| 401 | G | 26.9 | Very low | 28.7 | Very low | 76 Ų | 76 | 144.2 Ų | 144.2 | 78% | 0.784 | 79% | 0.787 | S | S | * | * | trans | -178.3 | 34.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 402 | Q | 26.8 | Very low | 28.6 | Very low | 194 Ų | 194 | 144.1 Ų | 144.1 | 91% | 0.907 | 79% | 0.79 | S | S | * | * | trans | 12 | 112.9 | 169.7 | -63 | -179 | -2.9 | 0 | 0 | 119.6 | ||||
| 403 | S | 23.7 | Very low | 28.6 | Very low | 122 Ų | 122 | 143.7 Ų | 143.7 | 85% | 0.853 | 79% | 0.786 | S | S | * | * | trans | -150.5 | 84.9 | 141.9 | 40.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 404 | R | 25.5 | Very low | 28.6 | Very low | 242 Ų | 242 | 142.9 Ų | 142.9 | 91% | 0.913 | 78% | 0.782 | S | S | * | * | trans | -72.3 | 156.5 | 160.2 | -82.3 | -171.1 | 173.8 | -168.6 | -1.2 | 109.8 | ||||
| 405 | T | 30.4 | Very low | 28.6 | Very low | 135 Ų | 135 | 145 Ų | 145 | 83% | 0.828 | 79% | 0.789 | S | S | * | * | trans | -51 | 147.1 | 178.4 | 45.8 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 406 | P | 26 | Very low | 28.8 | Very low | 125 Ų | 125 | 145.3 Ų | 145.3 | 81% | 0.812 | 79% | 0.786 | S | S | * | * | trans | -124.9 | 94.2 | 151.1 | 35 | -23 | 0 | 0 | 0 | 111.7 | ||||
| 407 | K | 23 | Very low | 28.9 | Very low | 197 Ų | 197 | 147.1 Ų | 147.1 | 86% | 0.857 | 79% | 0.788 | S | S | * | * | trans | -142.5 | 99.8 | 150.9 | -95.8 | -164.1 | 177.8 | -177.4 | 0 | 109.4 | ||||
| 408 | I | 25.2 | Very low | 29.4 | Very low | 168 Ų | 168 | 148.1 Ų | 148.1 | 86% | 0.862 | 79% | 0.79 | S | S | * | * | trans | -169.9 | 146.5 | 133.2 | -94.8 | 151.5 | 0 | 0 | 0 | 106.3 | ||||
| 409 | S | 28.2 | Very low | 29.4 | Very low | 105 Ų | 105 | 145 Ų | 145 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | trans | -114.6 | 167.1 | 177.6 | -61.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 410 | P | 38 | Very low | 29.9 | Very low | 120 Ų | 120 | 147 Ų | 147 | 78% | 0.779 | 79% | 0.791 | S | S | * | * | trans | -88.8 | -161.6 | -148.2 | 44.1 | -43.6 | 0 | 0 | 0 | 110.9 | ||||
| 411 | P | 41.4 | Very low | 30.1 | Very low | 103 Ų | 103 | 142.2 Ų | 142.2 | 67% | 0.669 | 78% | 0.779 | S | S | * | * | cis | -144.8 | -173.8 | 3.8 | 42.9 | -22.8 | 0 | 0 | 0 | 117.6 | ||||
| 412 | I | 27.6 | Very low | 30.5 | Very low | 156 Ų | 156 | 144.2 Ų | 144.2 | 80% | 0.8 | 78% | 0.776 | S | S | * | * | trans | 79.7 | 155.4 | 152.3 | -75.1 | 160 | 0 | 0 | 0 | 119.3 | ||||
| 413 | K | 30.3 | Very low | 30.8 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 62% | 0.617 | 76% | 0.762 | S | S | * | * | trans | -74.5 | 173.2 | -167.2 | -48.2 | 133 | 97 | -81.7 | 0 | 114.6 | ||||
| 414 | E | 31.1 | Very low | 31.4 | Very low | 145 Ų | 145 | 143.4 Ų | 143.4 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | trans | 65.3 | 144.9 | 160 | -79 | 105.6 | -120.5 | 0 | 0 | 115.8 | ||||
| 415 | E | 30.1 | Very low | 31.7 | Very low | 177 Ų | 177 | 137.6 Ų | 137.6 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | cis | -147.4 | -162.2 | -10.4 | -157.9 | 168.6 | 90.4 | 0 | 0 | 109.4 | ||||
| 416 | E | 30.8 | Very low | 31.9 | Very low | 163 Ų | 163 | 139.7 Ų | 139.7 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | -69.7 | 170.2 | -161.6 | -65.5 | -167.8 | 81.3 | 0 | 0 | 119.6 | ||||
| 417 | T | 28.7 | Very low | 32 | Very low | 128 Ų | 128 | 136.4 Ų | 136.4 | 79% | 0.785 | 73% | 0.732 | S | S | * | * | trans | 95.3 | 155.2 | 149 | 74.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 418 | K | 36.3 | Very low | 32.3 | Very low | 193 Ų | 193 | 133.6 Ų | 133.6 | 84% | 0.839 | 73% | 0.732 | S | S | * | * | cis | -165.7 | 130.1 | -47.2 | -170.4 | 168.3 | -178.3 | 174.8 | 0 | 111.1 | ||||
| 419 | G | 31.9 | Very low | 32.7 | Very low | 65 Ų | 65 | 132.9 Ų | 132.9 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | trans | 76.5 | 170.8 | 160.8 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 420 | D | 36.6 | Very low | 32.9 | Very low | 143 Ų | 143 | 135.7 Ų | 135.7 | 77% | 0.765 | 73% | 0.726 | S | S | * | * | cis | -176.5 | 161.9 | -12.1 | -114.7 | -62.1 | 0 | 0 | 0 | 106.8 | ||||
| 421 | S | 33.2 | Very low | 32.7 | Very low | 88 Ų | 88 | 141 Ų | 141 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | cis | -167.6 | -169.9 | -1.7 | -146.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 422 | V | 36.6 | Very low | 32.3 | Very low | 118 Ų | 118 | 144.4 Ų | 144.4 | 72% | 0.715 | 74% | 0.738 | S | S | * | * | trans | 66.9 | 133 | 141.9 | 162.2 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 423 | E | 32.6 | Very low | 32.5 | Very low | 132 Ų | 132 | 144.1 Ų | 144.1 | 62% | 0.617 | 74% | 0.737 | S | S | * | * | cis | -160.8 | 157.7 | 0.8 | -122.3 | -176 | 156 | 0 | 0 | 115.8 | ||||
| 424 | K | 35.1 | Very low | 32.4 | Very low | 166 Ų | 166 | 145.6 Ų | 145.6 | 72% | 0.722 | 75% | 0.751 | S | S | * | * | trans | 32.2 | 155.4 | 134.4 | -78.4 | 179.5 | -161.6 | 154.5 | 0 | 123.4 | ||||
| 425 | N | 32.6 | Very low | 32.4 | Very low | 121 Ų | 121 | 143.7 Ų | 143.7 | 65% | 0.647 | 75% | 0.753 | S | S | * | * | cis | -174.1 | 154 | -20.7 | -142.9 | -14.5 | 0 | 0 | 0 | 111.6 | ||||
| 426 | Q | 33.8 | Very low | 32.4 | Very low | 178 Ų | 178 | 145.3 Ų | 145.3 | 83% | 0.832 | 75% | 0.752 | S | S | * | * | trans | 60.1 | 159.5 | 158.6 | -64.8 | 163.6 | 47 | 0 | 0 | 119.5 | ||||
| 427 | G | 28.2 | Very low | 32.2 | Very low | 57 Ų | 57 | 144.9 Ų | 144.9 | 59% | 0.588 | 75% | 0.754 | S | S | * | * | cis | 167.7 | 168.3 | -10.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 428 | T | 29.6 | Very low | 32.2 | Very low | 137 Ų | 137 | 146.5 Ų | 146.5 | 84% | 0.84 | 75% | 0.753 | S | S | * | * | trans | 72 | 161.3 | 163.6 | 73.6 | 0 | 0 | 0 | 0 | 120 | ||||
| 429 | Q | 34.9 | Very low | 31.8 | Very low | 154 Ų | 154 | 145.6 Ų | 145.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | cis | -166.5 | 170 | -29 | -106.1 | -166.7 | 54.3 | 0 | 0 | 112.9 | ||||
| 430 | Q | 30.8 | Very low | 31.4 | Very low | 163 Ų | 163 | 149.3 Ų | 149.3 | 76% | 0.762 | 76% | 0.76 | S | S | * | * | trans | 75.5 | 107.8 | 149.4 | -77.9 | 174.3 | 28.9 | 0 | 0 | 126.1 | ||||
| 431 | R | 35.1 | Very low | 32.5 | Very low | 233 Ų | 233 | 147.3 Ų | 147.3 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | 55 | 153.4 | 104 | -109.7 | -179.4 | -175.9 | 179.1 | 1.6 | 125.6 | |||||
| 432 | Q | 33 | Very low | 32.2 | Very low | 173 Ų | 173 | 149.1 Ų | 149.1 | 81% | 0.808 | 76% | 0.762 | S | S | * | * | trans | 77.2 | 160 | 162.8 | -70.4 | -177.6 | -30.8 | 0 | 0 | 118.7 | ||||
| 433 | L | 30.9 | Very low | 32 | Very low | 151 Ų | 151 | 151.5 Ų | 151.5 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | cis | 170.6 | 130.1 | -46.2 | -108.3 | -179.6 | 0 | 0 | 0 | 108.2 | ||||
| 434 | L | 29 | Very low | 31.8 | Very low | 172 Ų | 172 | 149.5 Ų | 149.5 | 90% | 0.901 | 77% | 0.773 | S | S | * | * | trans | 177 | 175.3 | 142.4 | -101.7 | 166.6 | 0 | 0 | 0 | 113.2 | ||||
| 435 | S | 30 | Very low | 31.6 | Very low | 105 Ų | 105 | 150 Ų | 150 | 73% | 0.734 | 78% | 0.778 | S | S | * | * | trans | -132.4 | 174.3 | -155.7 | -41.1 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 436 | R | 30.6 | Very low | 31.5 | Very low | 211 Ų | 211 | 148.9 Ų | 148.9 | 80% | 0.796 | 78% | 0.776 | S | S | * | * | 128.3 | 122.8 | 124.1 | -166.8 | -179 | -170.8 | 170 | 3.7 | 115.8 | |||||
| 437 | L | 27.1 | Very low | 31.4 | Very low | 155 Ų | 155 | 147.5 Ų | 147.5 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | -175.7 | 175.3 | 117.1 | -96.3 | 170.1 | 0 | 0 | 0 | 111.6 | |||||
| 438 | Q | 27.9 | Very low | 31.4 | Very low | 162 Ų | 162 | 151.4 Ų | 151.4 | 76% | 0.757 | 78% | 0.776 | S | S | * | * | trans | -122.2 | 170.6 | -167.3 | -61.5 | 161.2 | -39.4 | 0 | 0 | 111 | ||||
| 439 | I | 29.1 | Very low | 31.2 | Very low | 173 Ų | 173 | 151.9 Ų | 151.9 | 89% | 0.887 | 77% | 0.77 | S | S | * | * | trans | -176.4 | 150.8 | 130.7 | -94.3 | 152.3 | 0 | 0 | 0 | 109.7 | ||||
| 440 | D | 22.5 | Very low | 30.8 | Very low | 143 Ų | 143 | 149.3 Ų | 149.3 | 77% | 0.765 | 77% | 0.77 | S | S | * | * | trans | -147.9 | -176.8 | 174.8 | -154.6 | 17.7 | 0 | 0 | 0 | 108 | ||||
| 441 | P | 60.6 | Low | 30.6 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 66% | 0.662 | 77% | 0.769 | S | S | * | * | -113.8 | -177.5 | -107.4 | 38.6 | -22.1 | 0 | 0 | 0 | 114.3 | |||||
| 442 | V | 27.3 | Very low | 30.2 | Very low | 126 Ų | 126 | 144 Ų | 144 | 76% | 0.764 | 76% | 0.759 | S | S | * | * | trans | -163.3 | 115.5 | 161.7 | 128.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 443 | M | 30.9 | Very low | 29.8 | Very low | 168 Ų | 168 | 145 Ų | 145 | 83% | 0.828 | 76% | 0.756 | S | S | * | * | trans | 54.2 | 148.5 | 140.9 | -37.9 | -43.8 | -173 | 0 | 0 | 127.8 | ||||
| 444 | A | 29.7 | Very low | 29.6 | Very low | 90 Ų | 90 | 146.4 Ų | 146.4 | 74% | 0.744 | 75% | 0.753 | S | S | * | * | trans | 73 | 127.5 | 147.9 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 445 | E | 29.6 | Very low | 29.6 | Very low | 176 Ų | 176 | 145.2 Ų | 145.2 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | cis | 72.2 | 146.9 | 22 | -114.7 | -169.8 | 170 | 0 | 0 | 114.1 | ||||
| 446 | T | 30.1 | Very low | 29.4 | Very low | 97 Ų | 97 | 147.1 Ų | 147.1 | 60% | 0.595 | 75% | 0.746 | S | S | * | * | cis | -161.4 | 160.2 | 24.9 | -25 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 447 | L | 33.4 | Very low | 29.4 | Very low | 149 Ų | 149 | 144.5 Ų | 144.5 | 78% | 0.78 | 74% | 0.743 | S | S | * | * | trans | 70.1 | 159.6 | 159.4 | -48.5 | -173.4 | 0 | 0 | 0 | 119.5 | ||||
| 448 | Q | 28.4 | Very low | 29.7 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 65% | 0.654 | 74% | 0.741 | S | S | * | * | cis | -147.5 | 161.1 | 7.7 | -170.1 | 50.6 | 5.7 | 0 | 0 | 114.2 | ||||
| 449 | M | 24.9 | Very low | 29.7 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 72% | 0.719 | 74% | 0.74 | S | S | * | * | trans | -47.2 | 168.2 | 156.7 | -96.9 | 69.5 | 73.1 | 0 | 0 | 113.4 | ||||
| 450 | S | 26.9 | Very low | 29.9 | Very low | 101 Ų | 101 | 139.4 Ų | 139.4 | 71% | 0.706 | 73% | 0.734 | S | S | * | * | cis | -172 | 142.3 | 46.7 | 65.8 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 451 | Q | 25.8 | Very low | 30.4 | Very low | 159 Ų | 159 | 141.5 Ų | 141.5 | 74% | 0.743 | 74% | 0.738 | S | S | * | * | 95 | 141.2 | 73.1 | -173.4 | 171 | -20.5 | 0 | 0 | 115.4 | |||||
| 452 | D | 25.9 | Very low | 29 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 67% | 0.674 | 74% | 0.742 | S | S | * | * | trans | 68.4 | 120.5 | 156.6 | -70.6 | -11.5 | 0 | 0 | 0 | 124.9 | ||||
| 453 | Y | 24.6 | Very low | 29.3 | Very low | 192 Ų | 192 | 141.6 Ų | 141.6 | 75% | 0.753 | 74% | 0.741 | S | S | * | * | 75 | 114.5 | 118.3 | -144.7 | -96.9 | 0 | 0 | 0 | 122.5 | |||||
| 454 | Y | 27.7 | Very low | 29.5 | Very low | 181 Ų | 181 | 139 Ų | 139 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | trans | 67.7 | 175.5 | 156.4 | -83.2 | -113.8 | 0 | 0 | 0 | 116.9 | ||||
| 455 | D | 28.1 | Very low | 29.9 | Very low | 147 Ų | 147 | 145.9 Ų | 145.9 | 79% | 0.786 | 74% | 0.742 | S | S | * | * | cis | -147.3 | -169 | 13.3 | -145 | -32.2 | 0 | 0 | 0 | 113.9 | ||||
| 456 | M | 26.7 | Very low | 30.5 | Very low | 146 Ų | 146 | 141.7 Ų | 141.7 | 72% | 0.719 | 73% | 0.732 | S | S | * | * | trans | -77.3 | 150.8 | -170 | -138.5 | -178.3 | 69.8 | 0 | 0 | 117.6 | ||||
| 457 | E | 30.4 | Very low | 30.9 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 73% | 0.729 | 75% | 0.745 | S | S | * | * | trans | 12.1 | 130.6 | 140.6 | -178.1 | 178.8 | -121.6 | 0 | 0 | 121.3 | ||||
| 458 | S | 32.7 | Very low | 31.2 | Very low | 108 Ų | 108 | 146.3 Ų | 146.3 | 76% | 0.755 | 74% | 0.743 | S | S | * | * | -173.6 | 156 | 125.8 | -143.3 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 459 | M | 29.5 | Very low | 31.5 | Very low | 150 Ų | 150 | 146.4 Ų | 146.4 | 74% | 0.739 | 75% | 0.748 | S | S | * | * | trans | 76.8 | 83.9 | 142 | -153.8 | 135.5 | 59.6 | 0 | 0 | 122.6 | ||||
| 460 | V | 31.8 | Very low | 32.1 | Very low | 125 Ų | 125 | 148.9 Ų | 148.9 | 76% | 0.758 | 75% | 0.754 | S | S | * | * | 11.6 | 132.5 | 121.9 | -166.8 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 461 | H | 33.1 | Very low | 32.4 | Very low | 186 Ų | 186 | 152.5 Ų | 152.5 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | -140.9 | 157.2 | 143.9 | -95.1 | 73.9 | 0 | 0 | 0 | 109.6 | ||||
| 462 | A | 31.9 | Very low | 33 | Very low | 89 Ų | 89 | 151.2 Ų | 151.2 | 74% | 0.736 | 76% | 0.763 | S | S | * | * | trans | -141.2 | 167.9 | -164.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 463 | D | 33.6 | Very low | 33.2 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 76% | 0.759 | 77% | 0.77 | S | S | * | * | trans | 102 | 140.7 | 135.6 | -154.4 | 21.6 | 0 | 0 | 0 | 121.3 | ||||
| 464 | T | 35 | Very low | 33.4 | Very low | 112 Ų | 112 | 153.4 Ų | 153.4 | 69% | 0.687 | 78% | 0.778 | S | S | * | * | trans | 61.8 | 151.6 | 171.8 | 71.7 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 465 | R | 38.8 | Very low | 33.6 | Very low | 235 Ų | 235 | 149 Ų | 149 | 89% | 0.887 | 77% | 0.773 | S | S | * | * | cis | -158 | 164.8 | 26.2 | -150.2 | 168.8 | -171 | -154.2 | 4.1 | 112.3 | ||||
| 466 | S | 42 | Very low | 33.7 | Very low | 89 Ų | 89 | 150.7 Ų | 150.7 | 62% | 0.622 | 78% | 0.776 | S | S | * | * | trans | -125.9 | 164.6 | -170.1 | -52.9 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 467 | F | 38.3 | Very low | 33.9 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | 72.9 | 150.6 | 170.2 | -52.7 | -72.8 | 0 | 0 | 0 | 115.7 | ||||
| 468 | I | 38.9 | Very low | 33.7 | Very low | 146 Ų | 146 | 151.7 Ų | 151.7 | 75% | 0.749 | 78% | 0.783 | S | S | * | * | cis | -158.8 | 154.4 | 31.7 | -138.9 | 142.9 | 0 | 0 | 0 | 112.4 | ||||
| 469 | L | 36 | Very low | 33.5 | Very low | 142 Ų | 142 | 151.9 Ų | 151.9 | 74% | 0.743 | 78% | 0.779 | S | S | * | * | trans | 22.2 | 146.1 | 150.9 | -53.2 | 173.9 | 0 | 0 | 0 | 121.2 | ||||
| 470 | K | 35.8 | Very low | 33.4 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | -169.9 | 170.8 | 51.9 | -139 | 154 | -173.6 | 177.1 | 0 | 112.8 | |||||
| 471 | K | 34.7 | Very low | 33.3 | Very low | 178 Ų | 178 | 149.1 Ų | 149.1 | 77% | 0.774 | 78% | 0.78 | S | S | * | * | trans | -88.8 | 172.3 | -179.3 | -61.6 | 175.9 | 179.4 | 173.5 | 0 | 113 | ||||
| 472 | P | 37.8 | Very low | 33.6 | Very low | 132 Ų | 132 | 145.8 Ų | 145.8 | 86% | 0.857 | 78% | 0.775 | S | S | * | * | -127 | 167.2 | 105.7 | 36.1 | -30.7 | 0 | 0 | 0 | 114.9 | |||||
| 473 | K | 29.5 | Very low | 33.4 | Very low | 188 Ų | 188 | 148.4 Ų | 148.4 | 82% | 0.817 | 78% | 0.776 | S | S | * | * | trans | -115.7 | 155.2 | 169.4 | -94 | -166.3 | 171.7 | -164.3 | 0 | 108.6 | ||||
| 474 | L | 30.1 | Very low | 33.2 | Very low | 176 Ų | 176 | 149 Ų | 149 | 92% | 0.921 | 77% | 0.774 | S | S | * | * | trans | -132.2 | 162.6 | 136.8 | -89.5 | 175.4 | 0 | 0 | 0 | 109.2 | ||||
| 475 | S | 31.6 | Very low | 33 | Very low | 89 Ų | 89 | 151.8 Ų | 151.8 | 62% | 0.622 | 78% | 0.779 | S | S | * | * | trans | -100.1 | -177.2 | 180 | 53.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 476 | E | 29.8 | Very low | 32.5 | Very low | 181 Ų | 181 | 146.6 Ų | 146.6 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | cis | -148 | 177.2 | 15.2 | -149.3 | 134.5 | 135.5 | 0 | 0 | 112.7 | ||||
| 477 | E | 30.7 | Very low | 31.7 | Very low | 156 Ų | 156 | 145.3 Ų | 145.3 | 73% | 0.729 | 78% | 0.78 | S | S | * | * | trans | -109.6 | 153.2 | -169.6 | -179.1 | -173.4 | 142 | 0 | 0 | 111.1 | ||||
| 478 | I | 25.5 | Very low | 31.3 | Very low | 168 Ų | 168 | 144.5 Ų | 144.5 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -168.8 | 153.3 | 141 | -100.8 | 151.9 | 0 | 0 | 0 | 110.1 | ||||
| 479 | V | 29.6 | Very low | 31.1 | Very low | 112 Ų | 112 | 146.3 Ų | 146.3 | 68% | 0.679 | 78% | 0.784 | S | S | * | * | trans | -118.2 | 174.7 | -168.9 | -175.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 480 | V | 27.4 | Very low | 30.8 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 81% | 0.806 | 79% | 0.787 | S | S | * | * | trans | 100.2 | 126.5 | 160.1 | -171.9 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 481 | A | 29.3 | Very low | 30.6 | Very low | 84 Ų | 84 | 140.9 Ų | 140.9 | 69% | 0.694 | 78% | 0.782 | S | S | * | * | trans | -118.6 | 158.8 | 151.6 | 0 | 0 | 0 | 0 | 0 | 106 | ||||
| 482 | P | 39.8 | Very low | 30.4 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | cis | -155 | 178.6 | 39.5 | 43.4 | -22.1 | 0 | 0 | 0 | 119.6 | ||||
| 483 | N | 27.2 | Very low | 29.9 | Very low | 143 Ų | 143 | 137.7 Ų | 137.7 | 77% | 0.765 | 77% | 0.774 | S | S | * | * | trans | 93.1 | 150.7 | 137.1 | -136.7 | -4 | 0 | 0 | 0 | 123.1 | ||||
| 484 | Q | 30.5 | Very low | 30.1 | Very low | 154 Ų | 154 | 136 Ų | 136 | 72% | 0.72 | 77% | 0.773 | S | S | * | * | trans | 79.6 | 107.8 | 160.7 | -78.1 | 176 | 117.3 | 0 | 0 | 123.8 | ||||
| 485 | E | 29 | Very low | 30.2 | Very low | 171 Ų | 171 | 138.8 Ų | 138.8 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | 82.8 | 148.2 | 126.1 | -79.4 | -158.2 | 124.4 | 0 | 0 | 125.6 | |||||
| 486 | S | 29.1 | Very low | 30.2 | Very low | 126 Ų | 126 | 140.9 Ų | 140.9 | 88% | 0.881 | 78% | 0.78 | S | S | * | * | trans | 67.3 | 145.4 | 175.5 | 76.7 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 487 | G | 25.8 | Very low | 30.3 | Very low | 63 Ų | 63 | 139.6 Ų | 139.6 | 65% | 0.649 | 78% | 0.778 | S | S | * | * | cis | 166.5 | 128.7 | -13.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 488 | M | 29.8 | Very low | 30.2 | Very low | 180 Ų | 180 | 137.9 Ų | 137.9 | 89% | 0.887 | 78% | 0.784 | S | S | * | * | trans | 61.8 | 124.3 | 163.3 | -51.3 | 179.8 | 174.1 | 0 | 0 | 117.9 | ||||
| 489 | K | 34.1 | Very low | 30.4 | Very low | 184 Ų | 184 | 133.7 Ų | 133.7 | 80% | 0.8 | 78% | 0.781 | S | S | * | * | 178.1 | 120.2 | 94.1 | -81.8 | 138.5 | -161.4 | 160.3 | 0 | 107.9 | |||||
| 490 | T | 29 | Very low | 30.4 | Very low | 133 Ų | 133 | 136.6 Ų | 136.6 | 82% | 0.816 | 79% | 0.787 | S | S | * | * | 75.9 | 146.4 | 81.1 | 59.2 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 491 | A | 31.7 | Very low | 30.7 | Very low | 91 Ų | 91 | 136.1 Ų | 136.1 | 75% | 0.752 | 78% | 0.78 | S | S | * | * | trans | 73.6 | 148.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 492 | D | 30.6 | Very low | 30.9 | Very low | 148 Ų | 148 | 138.6 Ų | 138.6 | 79% | 0.791 | 78% | 0.779 | S | S | * | * | cis | -155.4 | 134.4 | -20 | -110.4 | -55.3 | 0 | 0 | 0 | 106.1 | ||||
| 493 | S | 28.8 | Very low | 30.6 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 78% | 0.778 | S | S | * | * | 78.4 | 152.2 | 77.6 | -161 | 0 | 0 | 0 | 0 | 116.2 | |||||
| 494 | L | 33.3 | Very low | 30.8 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 80% | 0.796 | 78% | 0.775 | S | S | * | * | trans | 66.6 | 123 | -176.4 | -48.9 | -178.7 | 0 | 0 | 0 | 114.4 | ||||
| 495 | R | 32 | Very low | 31 | Very low | 236 Ų | 236 | 143.4 Ų | 143.4 | 89% | 0.891 | 78% | 0.784 | S | S | * | * | cis | 58.1 | 115.9 | 42.2 | -61 | -170.5 | -178.8 | -174.2 | 2.6 | 114.6 | ||||
| 496 | V | 30.9 | Very low | 31.3 | Very low | 132 Ų | 132 | 142.1 Ų | 142.1 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | 175.3 | 135 | 124.7 | 146.2 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 497 | L | 31.5 | Very low | 31.5 | Very low | 154 Ų | 154 | 143.1 Ų | 143.1 | 81% | 0.806 | 78% | 0.777 | S | S | * | * | trans | 32.4 | 120.2 | 156.4 | -60.6 | 171.5 | 0 | 0 | 0 | 123.1 | ||||
| 498 | S | 29.4 | Very low | 31.9 | Very low | 121 Ų | 121 | 146.3 Ų | 146.3 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | 34.3 | 115.7 | 113.1 | -159.9 | 0 | 0 | 0 | 0 | 119.7 | |||||
| 499 | G | 29.7 | Very low | 32.3 | Very low | 79 Ų | 79 | 145.5 Ų | 145.5 | 81% | 0.814 | 78% | 0.778 | S | S | * | * | trans | -166.1 | 109.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 500 | H | 29.3 | Very low | 33.3 | Very low | 174 Ų | 174 | 141.5 Ų | 141.5 | 81% | 0.806 | 77% | 0.771 | S | S | * | * | trans | -72.6 | 141.9 | -171.2 | -175.8 | 75 | 0 | 0 | 0 | 116 | ||||
| 501 | L | 33.2 | Very low | 33.4 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 64% | 0.639 | 77% | 0.766 | S | S | * | * | trans | 69.8 | 123.8 | 145.9 | -170.6 | 76.4 | 0 | 0 | 0 | 121.8 | ||||
| 502 | M | 33.8 | Very low | 33.7 | Very low | 137 Ų | 137 | 145.9 Ų | 145.9 | 68% | 0.675 | 77% | 0.768 | S | S | * | * | -177.2 | 125.2 | 124.7 | -93.7 | -88.2 | 94.6 | 0 | 0 | 112.9 | |||||
| 503 | Q | 33.7 | Very low | 34.8 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | trans | 18.3 | 150.7 | 140 | -95.1 | 173.4 | -20.8 | 0 | 0 | 122.2 | ||||
| 504 | T | 31 | Very low | 35 | Very low | 112 Ų | 112 | 144.9 Ų | 144.9 | 69% | 0.687 | 78% | 0.775 | S | S | * | * | cis | -150.4 | 147.7 | 27.8 | 50.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 505 | R | 35.6 | Very low | 34.9 | Very low | 241 Ų | 241 | 142.9 Ų | 142.9 | 91% | 0.909 | 77% | 0.774 | S | S | * | * | 177.1 | 142.4 | 112.7 | -102.4 | -173.4 | 166.6 | 107.2 | -2.5 | 112.7 | |||||
| 506 | D | 34.7 | Very low | 36.4 | Very low | 145 Ų | 145 | 136.8 Ų | 136.8 | 78% | 0.775 | 77% | 0.765 | S | S | * | * | trans | -73.2 | 169.4 | 170.1 | -97.4 | -86.1 | 0 | 0 | 0 | 112 | ||||
| 507 | L | 34.5 | Very low | 36.5 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 77% | 0.77 | 77% | 0.769 | S | S | * | * | cis | -163.8 | 139.9 | 41.9 | -170.3 | 61.2 | 0 | 0 | 0 | 114.6 | ||||
| 508 | V | 32.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 142.4 Ų | 142.4 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | 72.2 | 148.9 | 154.2 | 161.9 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 509 | Q | 39.3 | Very low | 37.7 | Very low | 163 Ų | 163 | 143.6 Ų | 143.6 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -145.5 | -178.8 | -179.6 | -120.9 | -152.4 | 101.8 | 0 | 0 | 108.1 | ||||
| 510 | P | 55.4 | Low | 38.8 | Very low | 101 Ų | 101 | 145.7 Ų | 145.7 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | cis | -122.8 | -153.2 | 10.9 | 37.7 | -14.9 | 0 | 0 | 0 | 111.3 | ||||
| 511 | D | 30.7 | Very low | 39.5 | Very low | 135 Ų | 135 | 143 Ų | 143 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | cis | -155.8 | -154.6 | 5 | -145.9 | -44.4 | 0 | 0 | 0 | 112.2 | ||||
| 512 | K | 38.8 | Very low | 40.5 | Very low | 180 Ų | 180 | 145 Ų | 145 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | trans | -131.9 | 175.5 | -177.6 | -69.9 | 176.4 | -177.9 | 171.5 | 0 | 109.3 | ||||
| 513 | P | 53.3 | Low | 40.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 81% | 0.805 | 78% | 0.78 | S | S | * | * | cis | -139.8 | -158.4 | 13.4 | 44.7 | -25.3 | 0 | 0 | 0 | 115.4 | ||||
| 514 | A | 33.4 | Very low | 41.3 | Very low | 98 Ų | 98 | 141.5 Ų | 141.5 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 90.3 | 112.5 | 157.9 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 515 | S | 31.1 | Very low | 41.7 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | -91 | -177.3 | 162.7 | 57.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 516 | P | 62.2 | Low | 42 | Very low | 108 Ų | 108 | 136.8 Ų | 136.8 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | -122.2 | 176.8 | -52.9 | 36.5 | -24.4 | 0 | 0 | 0 | 110.5 | |||||
| 517 | K | 33.6 | Very low | 42.2 | Very low | 202 Ų | 202 | 135.1 Ų | 135.1 | 88% | 0.878 | 78% | 0.775 | S | S | * | * | trans | -153.5 | 147 | 156.4 | -103.9 | 122 | -169 | 175.5 | 0 | 112.7 | ||||
| 518 | F | 48.2 | Very low | 43 | Very low | 201 Ų | 201 | 133.8 Ų | 133.8 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | -68.6 | 137.6 | 169.6 | -78.6 | -118.7 | 0 | 0 | 0 | 109.6 | ||||
| 519 | I | 38.3 | Very low | 43.3 | Very low | 146 Ų | 146 | 134 Ų | 134 | 75% | 0.749 | 78% | 0.779 | S | S | * | * | trans | -119.5 | 119.5 | 155.7 | -59.2 | -179.8 | 0 | 0 | 0 | 106.1 | T521 | I519-T521 WeakPolarHBondContact CG2-OG1 3.32Å; I519-T521 PolarHBondContact O-N 3.19Å | ||
| 520 | V | 51.6 | Low | 43 | Very low | 124 Ų | 124 | 129.7 Ų | 129.7 | 75% | 0.752 | 78% | 0.779 | S | S | * | * | trans | -88.9 | 96.5 | 166 | 175.3 | 0 | 0 | 0 | 0 | 106.5 | L522 | V520-L522 HydrophobicContact CG1-CG 4.42Š| ||
| 521 | T | 45.7 | Very low | 41.8 | Very low | 116 Ų | 116 | 135.1 Ų | 135.1 | 71% | 0.712 | 79% | 0.788 | S | S | * | * | trans | -100.6 | 98.6 | 166.2 | -7.8 | 0 | 0 | 0 | 0 | 107.9 | I519 D523 | I519-T521 WeakPolarHBondContact CG2-OG1 3.32Å; I519-T521 PolarHBondContact O-N 3.19Å; T521-D523 VanDerWaalsContact C-N 3.31Å; T521-D523 PolarHBondContact O-N 3.03Å | ||
| 522 | L | 53.3 | Low | 41.9 | Very low | 164 Ų | 164 | 136.2 Ų | 136.2 | 86% | 0.859 | 79% | 0.79 | S | S | * | * | trans | -82.2 | 81.9 | 161.6 | -80.1 | 173.6 | 0 | 0 | 0 | 108.4 | V520 | V520-L522 HydrophobicContact CG1-CG 4.42Š| ||
| 523 | D | 39.2 | Very low | 41.6 | Very low | 160 Ų | 160 | 131.9 Ų | 131.9 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | trans | -160.8 | 161.6 | 150.2 | -139.8 | -31.5 | 0 | 0 | 0 | 111.5 | T521 | T521-D523 VanDerWaalsContact C-N 3.31Å; T521-D523 PolarHBondContact O-N 3.03Å | ||
| 524 | G | 44.3 | Very low | 40.7 | Very low | 64 Ų | 64 | 132.7 Ų | 132.7 | 66% | 0.66 | 78% | 0.781 | S | S | * | * | trans | 96.3 | 26.9 | 167 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 525 | V | 40.4 | Very low | 40.7 | Very low | 139 Ų | 139 | 135.7 Ų | 135.7 | 84% | 0.842 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 119.9 | 160 | 179.4 | 0 | 0 | 0 | 0 | 108.3 | S527 | V525-S527 PolarHBondContact O-N 2.97Š|
| 526 | P | 40.9 | Very low | 40.6 | Very low | 116 Ų | 116 | 139.4 Ų | 139.4 | 75% | 0.753 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -74.3 | 126.6 | -177.3 | 28.8 | -33.9 | 0 | 0 | 0 | 111.8 | ||
| 527 | S | 40.4 | Very low | 39 | Very low | 110 Ų | 110 | 141.9 Ų | 141.9 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -64 | 132 | 167.6 | -59 | 0 | 0 | 0 | 0 | 110.6 | V525 | V525-S527 PolarHBondContact O-N 2.97Š|
| 528 | P | 49.9 | Very low | 38.9 | Very low | 119 Ų | 119 | 140 Ų | 140 | 77% | 0.773 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -59.2 | 137.3 | 168.5 | -24 | 35 | 0 | 0 | 0 | 111.1 | ||
| 529 | P | 39.4 | Very low | 38 | Very low | 132 Ų | 132 | 138.6 Ų | 138.6 | 86% | 0.857 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 145.1 | 178.1 | -25.4 | 35.7 | 0 | 0 | 0 | 112.8 | ||
| 530 | G | 34 | Very low | 37.5 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -74.7 | 164.5 | -167.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 531 | Y | 28.5 | Very low | 36.2 | Very low | 214 Ų | 214 | 139.1 Ų | 139.1 | 84% | 0.839 | 78% | 0.784 | S | S | * | * | trans | -107.7 | 120.2 | 153.1 | -172.1 | -93.4 | 0 | 0 | 0 | 107.2 | ||||
| 532 | M | 33.3 | Very low | 35.2 | Very low | 158 Ų | 158 | 141.7 Ų | 141.7 | 78% | 0.778 | 79% | 0.788 | S | S | * | * | trans | -122.6 | 125.1 | 173.3 | -62.8 | -97.9 | 66.1 | 0 | 0 | 107.4 | ||||
| 533 | S | 33.3 | Very low | 34.1 | Very low | 90 Ų | 90 | 137 Ų | 137 | 63% | 0.629 | 78% | 0.78 | S | S | * | * | trans | -157.7 | 112.9 | 138.6 | -159.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 534 | D | 34.6 | Very low | 33.7 | Very low | 141 Ų | 141 | 138.6 Ų | 138.6 | 75% | 0.754 | 78% | 0.784 | S | S | * | * | trans | -65.9 | 153.3 | 150.1 | -56.8 | -77.3 | 0 | 0 | 0 | 108 | ||||
| 535 | Q | 31.7 | Very low | 33.2 | Very low | 160 Ų | 160 | 144.9 Ų | 144.9 | 75% | 0.748 | 79% | 0.793 | S | S | * | * | trans | -143.4 | 102.3 | 166.6 | -175.3 | 165.4 | -5.2 | 0 | 0 | 107.3 | E537 | Q535-E537 PolarHBondContact NE2-OE1 3.38Š| ||
| 536 | E | 29.9 | Very low | 32.9 | Very low | 190 Ų | 190 | 143.7 Ų | 143.7 | 89% | 0.888 | 79% | 0.789 | S | S | * | * | trans | -98.6 | 124.7 | 174.6 | 59.7 | -170.8 | 156.7 | 0 | 0 | 109.1 | ||||
| 537 | E | 28.3 | Very low | 32.1 | Very low | 159 Ų | 159 | 143.6 Ų | 143.6 | 74% | 0.743 | 79% | 0.785 | S | S | * | * | trans | -148.6 | 82.2 | 168.8 | 50.4 | -170.8 | 100.7 | 0 | 0 | 111.2 | Q535 | Q535-E537 PolarHBondContact NE2-OE1 3.38Š| ||
| 538 | D | 30.8 | Very low | 31.4 | Very low | 164 Ų | 164 | 145.2 Ų | 145.2 | 88% | 0.877 | 79% | 0.786 | S | S | * | * | trans | -93.9 | 129.2 | 157.5 | -116.2 | -38.9 | 0 | 0 | 0 | 108 | ||||
| 539 | M | 29.8 | Very low | 30.5 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 84% | 0.837 | 79% | 0.788 | S | S | * | * | trans | 166.7 | 112.8 | 142 | -96.9 | -167.5 | 72 | 0 | 0 | 113 | ||||
| 540 | C | 27.7 | Very low | 29.9 | Very low | 124 Ų | 124 | 146.9 Ų | 146.9 | 84% | 0.838 | 78% | 0.779 | S | S | * | * | trans | 173 | 140.3 | 140.9 | -94.6 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 541 | F | 24 | Very low | 29.6 | Very low | 158 Ų | 158 | 147.7 Ų | 147.7 | 69% | 0.693 | 78% | 0.779 | S | S | * | * | cis | -158.9 | 137.1 | -12.5 | -174.9 | -105.1 | 0 | 0 | 0 | 109.4 | ||||
| 542 | E | 26.2 | Very low | 29.6 | Very low | 170 Ų | 170 | 141.9 Ų | 141.9 | 79% | 0.794 | 78% | 0.775 | S | S | * | * | trans | 60.3 | 159.6 | 161.1 | -164.9 | 160.8 | -112.3 | 0 | 0 | 119.7 | ||||
| 543 | G | 29.3 | Very low | 29.3 | Very low | 66 Ų | 66 | 139.5 Ų | 139.5 | 68% | 0.68 | 77% | 0.774 | S | S | * | * | trans | -176.5 | 148.1 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 544 | M | 31.6 | Very low | 29.2 | Very low | 192 Ų | 192 | 141 Ų | 141 | 95% | 0.946 | 78% | 0.775 | S | S | * | * | trans | -147.7 | 145.1 | 168.2 | -80.2 | -171.3 | 178.6 | 0 | 0 | 110.6 | ||||
| 545 | K | 32.5 | Very low | 29.2 | Very low | 196 Ų | 196 | 143.7 Ų | 143.7 | 85% | 0.852 | 78% | 0.78 | S | S | * | * | trans | -93.3 | 158.3 | 163.2 | -51.5 | 179.6 | -177.3 | 178.1 | 0 | 107.6 | ||||
| 546 | P | 34.9 | Very low | 29.1 | Very low | 115 Ų | 115 | 139.8 Ų | 139.8 | 75% | 0.747 | 78% | 0.783 | S | S | * | * | -155.3 | 155.2 | 86.8 | 40.4 | -21.5 | 0 | 0 | 0 | 118.1 | |||||
| 547 | V | 25 | Very low | 29.4 | Very low | 113 Ų | 113 | 138.6 Ų | 138.6 | 69% | 0.685 | 78% | 0.782 | S | S | * | * | trans | 53.4 | 106.6 | 131 | -179 | 0 | 0 | 0 | 0 | 121 | ||||
| 548 | N | 25.3 | Very low | 29.6 | Very low | 145 Ų | 145 | 142.7 Ų | 142.7 | 78% | 0.775 | 79% | 0.79 | S | S | * | * | 56.3 | 163.2 | 126.5 | -52 | -2.8 | 0 | 0 | 0 | 123.6 | |||||
| 549 | Q | 30.2 | Very low | 29.5 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | 99.2 | 143.4 | 154.9 | -58.4 | -151.9 | 72.1 | 0 | 0 | 119 | ||||
| 550 | T | 27.2 | Very low | 29.9 | Very low | 111 Ų | 111 | 137.9 Ų | 137.9 | 68% | 0.681 | 78% | 0.784 | S | S | * | * | cis | -167.8 | 147 | -15.4 | -94.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 551 | A | 27.3 | Very low | 30.1 | Very low | 91 Ų | 91 | 139.9 Ų | 139.9 | 75% | 0.752 | 79% | 0.786 | S | S | * | * | trans | 71 | 161.4 | 152 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 552 | A | 28.1 | Very low | 30.5 | Very low | 93 Ų | 93 | 139.5 Ų | 139.5 | 77% | 0.769 | 79% | 0.785 | S | S | * | * | trans | 72.9 | 99.4 | 157 | 0 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 553 | S | 27.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 137 Ų | 137 | 76% | 0.755 | 78% | 0.784 | S | S | * | * | 69.8 | 123.5 | 50.5 | -171.5 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 554 | N | 31.1 | Very low | 31.4 | Very low | 122 Ų | 122 | 141.6 Ų | 141.6 | 65% | 0.652 | 79% | 0.788 | S | S | * | * | -178.3 | 125.9 | 129.6 | -111 | -90 | 0 | 0 | 0 | 114.1 | |||||
| 555 | K | 35.7 | Very low | 31.4 | Very low | 197 Ų | 197 | 140.1 Ų | 140.1 | 86% | 0.857 | 78% | 0.779 | S | S | * | * | trans | 56.5 | 145.1 | 153.8 | 27.9 | -173.6 | 175 | -163.4 | 0 | 119.7 | ||||
| 556 | G | 29.5 | Very low | 31.4 | Very low | 78 Ų | 78 | 137.3 Ų | 137.3 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | cis | -179.1 | 161.6 | -1.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 557 | L | 35.1 | Very low | 31.1 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 77% | 0.769 | S | S | * | * | trans | -107.1 | 129.9 | -162.2 | -119.8 | 167.5 | 0 | 0 | 0 | 114.8 | ||||
| 558 | R | 33.3 | Very low | 31.4 | Very low | 245 Ų | 245 | 141.2 Ų | 141.2 | 93% | 0.925 | 78% | 0.777 | S | S | * | * | trans | -160.1 | 151.4 | 152 | -61.1 | -162.6 | -165.5 | -67.9 | 2.6 | 108.5 | ||||
| 559 | G | 29.5 | Very low | 31.6 | Very low | 72 Ų | 72 | 140.7 Ų | 140.7 | 74% | 0.742 | 77% | 0.773 | S | S | * | * | cis | -179.9 | 124.1 | -8.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 560 | L | 36.5 | Very low | 31.8 | Very low | 161 Ų | 161 | 137 Ų | 137 | 84% | 0.843 | 77% | 0.767 | S | S | * | * | trans | 13.7 | 139.6 | 159.9 | -71.3 | 174.9 | 0 | 0 | 0 | 124.5 | ||||
| 561 | L | 32.5 | Very low | 32 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 87% | 0.869 | 78% | 0.777 | S | S | * | * | trans | 91 | 153.7 | 140 | -74.2 | 165.1 | 0 | 0 | 0 | 122.7 | ||||
| 562 | H | 31.7 | Very low | 32.2 | Very low | 149 Ų | 149 | 144.7 Ų | 144.7 | 69% | 0.69 | 77% | 0.77 | S | S | * | * | trans | -107.2 | 154.7 | -176.1 | 175.9 | 67.9 | 0 | 0 | 0 | 110.1 | ||||
| 563 | P | 45.3 | Very low | 32.3 | Very low | 117 Ų | 117 | 146.3 Ų | 146.3 | 76% | 0.76 | 77% | 0.765 | S | S | * | * | -143.6 | -178.9 | 126.4 | 38.5 | -24.3 | 0 | 0 | 0 | 114.7 | |||||
| 564 | Q | 30.1 | Very low | 32.5 | Very low | 163 Ų | 163 | 148.8 Ų | 148.8 | 76% | 0.762 | 77% | 0.765 | S | S | * | * | trans | -92.2 | 169.5 | -174.3 | -59.7 | 168.1 | -89.1 | 0 | 0 | 114.2 | ||||
| 565 | Q | 31 | Very low | 32.5 | Very low | 162 Ų | 162 | 150 Ų | 150 | 76% | 0.757 | 77% | 0.771 | S | S | * | * | 108.6 | 143.1 | 128.8 | -134.2 | -170.1 | -26.5 | 0 | 0 | 119.6 | |||||
| 566 | L | 32 | Very low | 33.4 | Very low | 136 Ų | 136 | 145.4 Ų | 145.4 | 71% | 0.712 | 76% | 0.761 | S | S | * | * | trans | 70.3 | 126.8 | 166.9 | -56.4 | -178.2 | 0 | 0 | 0 | 116.7 | ||||
| 567 | H | 29.5 | Very low | 33.6 | Very low | 147 Ų | 147 | 149.6 Ų | 149.6 | 68% | 0.681 | 77% | 0.765 | S | S | * | * | cis | 104.5 | 114.4 | 29.6 | 175 | -127.8 | 0 | 0 | 0 | 111.3 | ||||
| 568 | L | 31.5 | Very low | 33.3 | Very low | 163 Ų | 163 | 144.9 Ų | 144.9 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | trans | -166.8 | 172.8 | 149 | -110.7 | 168.5 | 0 | 0 | 0 | 112.1 | ||||
| 569 | L | 29.5 | Very low | 33.3 | Very low | 134 Ų | 134 | 137.8 Ų | 137.8 | 70% | 0.702 | 75% | 0.745 | S | S | * | * | trans | -113.3 | 160.3 | -156.7 | -77 | 146.2 | 0 | 0 | 0 | 115.2 | ||||
| 570 | S | 33.8 | Very low | 33.3 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 69% | 0.685 | 75% | 0.75 | S | S | * | * | trans | -2.1 | 136.4 | 155.4 | -46.7 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 571 | R | 32 | Very low | 33.1 | Very low | 233 Ų | 233 | 140.5 Ų | 140.5 | 88% | 0.879 | 74% | 0.741 | S | S | * | * | -125.4 | 133.2 | 123.5 | -86.6 | -178.4 | 131 | -96.3 | 3.5 | 108.1 | |||||
| 572 | Q | 30.4 | Very low | 33.1 | Very low | 130 Ų | 130 | 140.2 Ų | 140.2 | 61% | 0.607 | 74% | 0.74 | S | S | * | * | cis | 103.8 | 88.7 | 29.4 | -171.9 | 84.4 | 4.1 | 0 | 0 | 111.6 | ||||
| 573 | L | 31.6 | Very low | 33.2 | Very low | 126 Ų | 126 | 138 Ų | 138 | 66% | 0.66 | 75% | 0.748 | S | S | * | * | trans | 67.4 | 158.9 | 148.9 | -52.8 | -179.2 | 0 | 0 | 0 | 118.1 | ||||
| 574 | E | 30.9 | Very low | 32.8 | Very low | 161 Ų | 161 | 141.7 Ų | 141.7 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | cis | -137.1 | 172.1 | 10.7 | -71 | -77.2 | 36.9 | 0 | 0 | 112.9 | ||||
| 575 | D | 32 | Very low | 32.9 | Very low | 147 Ų | 147 | 142.4 Ų | 142.4 | 79% | 0.786 | 76% | 0.761 | S | S | * | * | trans | -72.2 | -166.8 | 166 | -87.3 | -64 | 0 | 0 | 0 | 114.6 | ||||
| 576 | P | 54.8 | Low | 33.5 | Very low | 101 Ų | 101 | 140.5 Ų | 140.5 | 66% | 0.656 | 77% | 0.765 | S | S | * | * | cis | -134.2 | -170.7 | -47.7 | 37.6 | -20.7 | 0 | 0 | 0 | 113.9 | ||||
| 577 | N | 32.6 | Very low | 33.5 | Very low | 166 Ų | 166 | 142.9 Ų | 142.9 | 89% | 0.888 | 77% | 0.772 | S | S | * | * | trans | 68.3 | 141.8 | 169.9 | -68.9 | -26.3 | 0 | 0 | 0 | 117.9 | ||||
| 578 | G | 30 | Very low | 34 | Very low | 66 Ų | 66 | 143.4 Ų | 143.4 | 68% | 0.68 | 78% | 0.779 | S | S | * | * | cis | 166.8 | 145.6 | -10.4 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 579 | S | 33.2 | Very low | 33.9 | Very low | 96 Ų | 96 | 141.6 Ų | 141.6 | 67% | 0.671 | 78% | 0.78 | S | S | * | * | trans | 64.8 | 126.7 | 175.2 | -159.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 580 | F | 28.3 | Very low | 34.4 | Very low | 197 Ų | 197 | 141.2 Ų | 141.2 | 86% | 0.864 | 78% | 0.783 | S | S | * | * | -164.7 | 165.8 | 73.1 | -100.9 | -80.3 | 0 | 0 | 0 | 114.5 | |||||
| 581 | S | 32.5 | Very low | 34.7 | Very low | 92 Ų | 92 | 141 Ų | 141 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | trans | -38.5 | 144.9 | -176.5 | 54.8 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 582 | N | 32.8 | Very low | 35.4 | Very low | 161 Ų | 161 | 138.9 Ų | 138.9 | 86% | 0.861 | 79% | 0.788 | S | S | * | * | trans | 55.3 | 109.6 | 140.4 | -68.5 | -22.8 | 0 | 0 | 0 | 121.3 | ||||
| 583 | A | 32.6 | Very low | 35.8 | Very low | 103 Ų | 103 | 141.4 Ų | 141.4 | 85% | 0.851 | 80% | 0.797 | S | S | * | * | trans | -158.1 | 153.3 | 133.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 584 | E | 37.4 | Very low | 36.4 | Very low | 193 Ų | 193 | 140.8 Ų | 140.8 | 90% | 0.902 | 80% | 0.8 | S | S | * | * | trans | -78.9 | 140.3 | 170.8 | -67.7 | 166.7 | 64.5 | 0 | 0 | 111.6 | ||||
| 585 | M | 33.5 | Very low | 37.6 | Very low | 179 Ų | 179 | 141.5 Ų | 141.5 | 88% | 0.882 | 80% | 0.804 | S | S | * | * | trans | -154.9 | 138.6 | 134.2 | -167.8 | 148.8 | -72.9 | 0 | 0 | 111.6 | E587 | M585-E587 PolarHBondContact O-N 3.14Š| ||
| 586 | S | 43.3 | Very low | 38.7 | Very low | 121 Ų | 121 | 138.8 Ų | 138.8 | 85% | 0.846 | 79% | 0.785 | S | S | * | * | trans | -54.4 | 122.6 | -178.3 | -46.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 587 | E | 31.8 | Very low | 39.1 | Very low | 186 Ų | 186 | 138.3 Ų | 138.3 | 87% | 0.869 | 78% | 0.776 | S | S | * | * | trans | -102 | 142.4 | 166.5 | -168.6 | 165.4 | -160.9 | 0 | 0 | 111.7 | M585 S589 | M585-E587 PolarHBondContact O-N 3.14Å; E587-S589 PolarHBondContact O-N 3.05Å | ||
| 588 | L | 39.4 | Very low | 40.7 | Very low | 158 Ų | 158 | 136.8 Ų | 136.8 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | -75.3 | 112.6 | -170.7 | -67.4 | 164.1 | 0 | 0 | 0 | 111.1 | V590 | L588-V590 VanDerWaalsContact C-N 3.34Å; L588-V590 PolarHBondContact O-N 2.91Å | ||
| 589 | S | 30.5 | Very low | 42.8 | Very low | 125 Ų | 125 | 139.6 Ų | 139.6 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | trans | -68.7 | 86.8 | 174.4 | -69.4 | 0 | 0 | 0 | 0 | 111.7 | E587 A591 | E587-S589 PolarHBondContact O-N 3.05Å; S589-A591 PolarHBondContact O-N 3.41Å; S589-A591 VanDerWaalsContact O-N 3.15Å | ||
| 590 | V | 39.5 | Very low | 44.9 | Very low | 126 Ų | 126 | 137.4 Ų | 137.4 | 76% | 0.764 | 74% | 0.74 | S | S | * | * | trans | -59.2 | 114.5 | 168.2 | 176.1 | 0 | 0 | 0 | 0 | 108.6 | L588 Q592 | L588-V590 VanDerWaalsContact C-N 3.34Å; L588-V590 PolarHBondContact O-N 2.91Å; V590-Q592 PolarHBondContact O-N 3.35Å | ||
| 591 | A | 39.1 | Very low | 47.4 | Very low | 94 Ų | 94 | 128.3 Ų | 128.3 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | trans | -65.3 | 100.2 | -179.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S589 K593 | S589-A591 PolarHBondContact O-N 3.41Å; S589-A591 VanDerWaalsContact O-N 3.15Å; A591-K593 PolarHBondContact O-N 3.44Å | ||
| 592 | Q | 47.1 | Very low | 49.5 | Very low | 188 Ų | 188 | 131.1 Ų | 131.1 | 88% | 0.879 | 70% | 0.701 | S | S | * | * | trans | -62.7 | 109.8 | 173.5 | -72.2 | -173.9 | -9.3 | 0 | 0 | 109.7 | V590 | V590-Q592 PolarHBondContact O-N 3.35Š| ||
| 593 | K | 38.3 | Very low | 51.6 | Low | 183 Ų | 183 | 131 Ų | 131 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 126.7 | 171.9 | -177 | 175 | -174.6 | 169.8 | 0 | 108.6 | A591 E595 | A591-K593 PolarHBondContact O-N 3.44Å; K593-E595 PolarHBondContact O-N 3.45Å |
| 594 | P | 44.9 | Very low | 53.6 | Low | 114 Ų | 114 | 129.2 Ų | 129.2 | 74% | 0.74 | 66% | 0.661 | S | S | * | * | P | Polyproline II helix | trans | -60.3 | 130 | -177.8 | 23.7 | -33.4 | 0 | 0 | 0 | 110.5 | K596 | P594-K596 PolarHBondContact O-N 2.86Š|
| 595 | E | 55.7 | Low | 55.3 | Low | 175 Ų | 175 | 125 Ų | 125 | 82% | 0.818 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 126.5 | 179.6 | -168.7 | 178.2 | 170 | 0 | 0 | 109.9 | K593 L597 | K593-E595 PolarHBondContact O-N 3.45Å; E595-L597 PolarHBondContact O-N 2.95Å |
| 596 | K | 56.1 | Low | 57.2 | Low | 91 Ų | 91 | 120.6 Ų | 120.6 | 40% | 0.396 | 64% | 0.643 | S | S | . | * | P | Polyproline II helix | trans | -70.6 | 123.8 | 178.4 | -70.9 | -165.3 | 171.6 | -169.9 | 0 | 109.2 | P594 L598 D611 | P594-K596 PolarHBondContact O-N 2.86Å; K596-L598 PolarHBondContact O-N 3.04Å; K596-D611 WeakPolarHBondContact CE-O 3.48Å; K596-D611 PolarHBondContact NZ-O 3.44Å |
| 597 | L | 62.7 | Low | 59.1 | Low | 90 Ų | 90 | 115.8 Ų | 115.8 | 47% | 0.471 | 61% | 0.609 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.7 | 128.7 | 175.1 | -61.9 | 176.3 | 0 | 0 | 0 | 109.3 | E595 E599 A614 Y615 H616 | E595-L597 PolarHBondContact O-N 2.95Å; L597-E599 PolarHBondContact O-N 3.24Å; L597-A614 PolarHBondContact N-O 2.9Å; L597-Y615 HydrophobicContact CB-CD1 4.38Å; L597-Y615 HydrophobicContact CD1-CD1 4.21Å; L597-Y615 HydrophobicContact CD1-CE1 3.77Å; L597-H616 PolarHBondContact O-N 3.33Å |
| 598 | L | 65.3 | Low | 61.5 | Low | 134 Ų | 134 | 114.9 Ų | 114.9 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -64.5 | -6.8 | 178.9 | -65.2 | 173.1 | 0 | 0 | 0 | 113.1 | K596 L635 | K596-L598 PolarHBondContact O-N 3.04Å; L598-L635 HydrophobicContact CD2-CD1 4.48Å; L598-L635 VanDerWaalsContact O-CD2 3.24Å; L598-L635 WeakPolarHBondContact O-CD2 3.38Å |
| 599 | E | 74.2 | Confident | 63.4 | Low | 126 Ų | 126 | 112 Ų | 112 | 59% | 0.589 | 59% | 0.588 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -74.1 | 130.4 | 171.1 | -171.1 | 171.5 | -156.9 | 0 | 0 | 111.2 | L597 C601 Y615 H616 | L597-E599 PolarHBondContact O-N 3.24Å; E599-C601 PolarHBondContact O-N 3Å; E599-Y615 HydrophobicContact CB-CD1 4.33Å; E599-H616 PolarHBondContact O-N 3.04Å |
| 600 | R | 77.9 | Confident | 65.5 | Low | 50 Ų | 50 | 107.8 Ų | 107.8 | 19% | 0.189 | 56% | 0.563 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -63 | 131.9 | 174.8 | 169.2 | 179.1 | -79 | 133.4 | -4.6 | 110.3 | K602 H616 P618 E632 C634 L635 F636 | R600-K602 PolarHBondContact O-N 2.59Å; R600-K602 VanDerWaalsContact O-N 3.16Å; R600-H616 WeakPolarHBondContact CA-O 3.37Å; R600-P618 HydrophobicContact CG-CG 4.41Å; R600-E632 PolarHBondContact NH1-O 2.94Å; R600-C634 PolarHBondContact NH1-O 3.22Å; R600-C634 PolarHBondContact NH2-O 3.26Å; R600-L635 PolarHBondContact NH2-O 3.32Å; R600-F636 PolarHBondContact NH2-O 3.38Å; R600-F636 VanDerWaalsContact NH2-O 3.09Å |
| 601 | C | 81.6 | Confident | 67 | Low | 5 Ų | 5 | 106.7 Ų | 106.7 | 3% | 0.034 | 55% | 0.553 | C | S | . | * | P | Polyproline II helix | trans | -56.8 | 121.1 | -179.7 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | E599 Y603 W604 C607 Y615 H616 H617 | E599-C601 PolarHBondContact O-N 3Å; C601-Y603 PolarHBondContact O-N 3.24Å; C601-Y603 VanDerWaalsContact O-N 3.11Å; C601-Y603 PolarHBondContact SG-N 3.38Å; C601-W604 HydrophobicContact CB-CB 4.11Å; C601-W604 WeakPolarHBondContact O-CB 3.46Å; C601-W604 PolarHBondContact O-N 3.25Å; C601-W604 VanDerWaalsContact O-N 3.08Å; C601-C607 VanDerWaalsContact SG-SG 3.65Å; C601-Y615 VanDerWaalsContact CA-CB 3.5Å; C601-H616 PolarHBondContact N-O 3.26Å; C601-H617 WeakPolarHBondContact CB-CD2 3.36Å; C601-H617 WeakPolarHBondContact CB-NE2 3.24Å; C601-H617 PolarHBondContact SG-NE2 3.17Å; C601-H617 VanDerWaalsContact SG-NE2 3.41Å |
| 602 | K | 76.8 | Confident | 68.7 | Low | 151 Ų | 151 | 110.8 Ų | 110.8 | 66% | 0.657 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.5 | -26.3 | 176 | -176.9 | 176.1 | 179.4 | 179.1 | 0 | 113.8 | R600 | R600-K602 PolarHBondContact O-N 2.59Å; R600-K602 VanDerWaalsContact O-N 3.16Å |
| 603 | Y | 75.4 | Confident | 70.3 | Confident | 158 Ų | 158 | 102.3 Ų | 102.3 | 62% | 0.62 | 52% | 0.517 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.1 | -4.3 | -177.7 | -55.6 | -69 | 0 | 0 | 0 | 113.7 | C601 A606 C607 | C601-Y603 PolarHBondContact O-N 3.24Å; C601-Y603 VanDerWaalsContact O-N 3.11Å; C601-Y603 PolarHBondContact SG-N 3.38Å; Y603-A606 CarbonylContact O-C 3.59Å; Y603-A606 WeakPolarHBondContact O-CA 3.34Å; Y603-A606 PolarHBondContact O-N 3.39Å; Y603-C607 PolarHBondContact O-N 2.95Å; Y603-C607 VanDerWaalsContact O-N 3.09Å |
| 604 | W | 75 | Confident | 72.3 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 25% | 0.25 | 50% | 0.502 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | 136.3 | 177.4 | -178.5 | 92.1 | 0 | 0 | 0 | 111.4 | C601 H617 P618 V637 | C601-W604 HydrophobicContact CB-CB 4.11Å; C601-W604 WeakPolarHBondContact O-CB 3.46Å; C601-W604 PolarHBondContact O-N 3.25Å; C601-W604 VanDerWaalsContact O-N 3.08Å; W604-H617 AromaticContact CD1-CD2 3.45Å; W604-H617 VanDerWaalsContact CD1-CD2 3.45Å; W604-H617 AromaticContact CD1-CG 3.69Å; W604-H617 AromaticContact CG-CD2 3.9Å; W604-P618 HydrophobicContact CD2-CG 4.41Å; W604-P618 HydrophobicContact CH2-CB 4.49Å; W604-P618 HydrophobicContact CZ2-CB 4.19Å; W604-P618 HydrophobicContact CZ2-CG 4.36Å; W604-P618 WeakPolarHBondContact CZ2-O 3.39Å; W604-P618 PolarHBondContact NE1-O 3.34Å; W604-V637 HydrophobicContact CH2-CG2 4.04Å; W604-V637 HydrophobicContact CZ2-CG2 4.29Å |
| 605 | P | 73.7 | Confident | 73.9 | Confident | 104 Ų | 104 | 95.6 Ų | 95.6 | 68% | 0.675 | 49% | 0.485 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -86.4 | -8.3 | 8.9 | 34.3 | -37.1 | 0 | 0 | 0 | 115.6 | C607 | P605-C607 PolarHBondContact O-N 2.76Å; P605-C607 VanDerWaalsContact O-N 3.1Å |
| 606 | A | 73.9 | Confident | 75.1 | Confident | 88 Ų | 88 | 89.6 Ų | 89.6 | 73% | 0.727 | 46% | 0.457 | S | S | * | . | S | Bend | trans | -80.5 | 22.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y603 K608 | Y603-A606 CarbonylContact O-C 3.59Å; Y603-A606 WeakPolarHBondContact O-CA 3.34Å; Y603-A606 PolarHBondContact O-N 3.39Å; A606-K608 PolarHBondContact O-N 3.14Å |
| 607 | C | 83.4 | Confident | 76.3 | Confident | 19 Ų | 19 | 86.3 Ų | 86.3 | 13% | 0.128 | 44% | 0.443 | C | S | . | . | trans | -83.1 | 115.9 | -174.8 | -173.8 | 0 | 0 | 0 | 0 | 111.3 | C601 Y603 P605 N609 G610 H617 | C601-C607 VanDerWaalsContact SG-SG 3.65Å; Y603-C607 PolarHBondContact O-N 2.95Å; Y603-C607 VanDerWaalsContact O-N 3.09Å; P605-C607 PolarHBondContact O-N 2.76Å; P605-C607 VanDerWaalsContact O-N 3.1Å; C607-N609 PolarHBondContact O-N 3.4Å; C607-N609 VanDerWaalsContact O-N 3.09Å; C607-G610 PolarHBondContact O-N 2.78Å; C607-H617 VanDerWaalsContact CB-CE1 3.48Å; C607-H617 WeakPolarHBondContact CB-CE1 3.32Å; C607-H617 VanDerWaalsContact CB-NE2 3.32Å; C607-H617 WeakPolarHBondContact CB-NE2 3.33Å | ||
| 608 | K | 81.4 | Confident | 77.1 | Confident | 167 Ų | 167 | 82.2 Ų | 82.2 | 73% | 0.726 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -9.9 | -178.3 | -63.3 | -170.8 | 176.2 | -174.2 | 0 | 114.6 | A39 A606 | A39-K608 PolarHBondContact O-NZ 3.31Å; A606-K608 PolarHBondContact O-N 3.14Å |
| 609 | N | 79.2 | Confident | 77.5 | Confident | 99 Ų | 99 | 82 Ų | 82 | 53% | 0.529 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -5.9 | -179.2 | -65.6 | 77 | 0 | 0 | 0 | 114.5 | C607 D611 E612 C613 | C607-N609 PolarHBondContact O-N 3.4Å; C607-N609 VanDerWaalsContact O-N 3.09Å; N609-D611 PolarHBondContact O-N 3.31Å; N609-E612 CarbonylContact O-C 3.46Å; N609-E612 WeakPolarHBondContact O-CA 3.19Å; N609-E612 WeakPolarHBondContact O-CB 3.44Å; N609-E612 PolarHBondContact O-N 2.87Å; N609-C613 HydrophobicContact CB-CB 3.81Å; N609-C613 PolarHBondContact O-N 2.69Å |
| 610 | G | 75.3 | Confident | 77.8 | Confident | 35 Ų | 35 | 78.5 Ų | 78.5 | 36% | 0.361 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | 50.6 | -138.7 | 177 | 0 | 0 | 0 | 0 | 0 | 113.3 | C607 E612 C613 H617 | C607-G610 PolarHBondContact O-N 2.78Å; G610-E612 PolarHBondContact O-N 3.26Å; G610-C613 WeakPolarHBondContact O-CB 3.45Å; G610-C613 PolarHBondContact O-N 3.26Å; G610-H617 PolarHBondContact O-CE1 2.69Å; G610-H617 PolarHBondContact O-ND1 3.06Å |
| 611 | D | 69.8 | Low | 78 | Confident | 103 Ų | 103 | 80.6 Ų | 80.6 | 55% | 0.551 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -73.8 | -5.2 | 177 | -73.2 | -65.2 | 0 | 0 | 0 | 114.8 | K596 N609 C613 I619 | K596-D611 WeakPolarHBondContact CE-O 3.48Å; K596-D611 PolarHBondContact NZ-O 3.44Å; N609-D611 PolarHBondContact O-N 3.31Å; D611-C613 VanDerWaalsContact C-N 3.31Å; D611-I619 WeakPolarHBondContact OD1-CD1 3.37Å |
| 612 | E | 74.8 | Confident | 78 | Confident | 181 Ų | 181 | 81 Ų | 81 | 85% | 0.846 | 43% | 0.432 | S | S | * | . | G | 310 helix | trans | -89 | 1.7 | 172.4 | -57.7 | -177.9 | 161.5 | 0 | 0 | 112.4 | N609 G610 A614 | N609-E612 CarbonylContact O-C 3.46Å; N609-E612 WeakPolarHBondContact O-CA 3.19Å; N609-E612 WeakPolarHBondContact O-CB 3.44Å; N609-E612 PolarHBondContact O-N 2.87Å; G610-E612 PolarHBondContact O-N 3.26Å; E612-A614 PolarHBondContact O-N 3.27Å |
| 613 | C | 80.5 | Confident | 78.2 | Confident | 9 Ų | 9 | 84 Ų | 84 | 6% | 0.061 | 45% | 0.445 | C | S | . | . | trans | -64.2 | 132.7 | 173.4 | -160.7 | 0 | 0 | 0 | 0 | 111.4 | N609 G610 D611 Y615 H617 | N609-C613 HydrophobicContact CB-CB 3.81Å; N609-C613 PolarHBondContact O-N 2.69Å; G610-C613 WeakPolarHBondContact O-CB 3.45Å; G610-C613 PolarHBondContact O-N 3.26Å; D611-C613 VanDerWaalsContact C-N 3.31Å; C613-Y615 PolarHBondContact O-N 3.15Å; C613-H617 WeakPolarHBondContact CB-CE1 3.49Å | ||
| 614 | A | 81.7 | Confident | 78.3 | Confident | 57 Ų | 57 | 79 Ų | 79 | 47% | 0.471 | 44% | 0.437 | S | S | . | . | S | Bend | trans | -65.4 | -13.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | L597 E612 | L597-A614 PolarHBondContact N-O 2.9Å; E612-A614 PolarHBondContact O-N 3.27Å |
| 615 | Y | 77.8 | Confident | 78.5 | Confident | 100 Ų | 100 | 79.2 Ų | 79.2 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 148.1 | 178.1 | -62.1 | -92.1 | 0 | 0 | 0 | 110.8 | L597 E599 C601 C613 H617 | L597-Y615 HydrophobicContact CB-CD1 4.38Å; L597-Y615 HydrophobicContact CD1-CD1 4.21Å; L597-Y615 HydrophobicContact CD1-CE1 3.77Å; E599-Y615 HydrophobicContact CB-CD1 4.33Å; C601-Y615 VanDerWaalsContact CA-CB 3.5Å; C613-Y615 PolarHBondContact O-N 3.15Å; Y615-H617 PolarHBondContact O-N 2.92Å |
| 616 | H | 81.6 | Confident | 78.8 | Confident | 48 Ų | 48 | 77.8 Ų | 77.8 | 22% | 0.222 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 128.2 | -172.2 | -178.3 | -83.9 | 0 | 0 | 0 | 113.5 | L597 E599 R600 C601 L635 | L597-H616 PolarHBondContact O-N 3.33Å; E599-H616 PolarHBondContact O-N 3.04Å; R600-H616 WeakPolarHBondContact CA-O 3.37Å; C601-H616 PolarHBondContact N-O 3.26Å; H616-L635 PolarHBondContact CE1-O 2.87Å; H616-L635 VanDerWaalsContact CE1-O 3.32Å |
| 617 | H | 81.5 | Confident | 78.9 | Confident | 23 Ų | 23 | 80.8 Ų | 80.8 | 11% | 0.106 | 43% | 0.434 | C | S | . | . | trans | -103.6 | 113.6 | 171.5 | -75 | 166.2 | 0 | 0 | 0 | 111.2 | C601 W604 C607 G610 C613 Y615 I619 | C601-H617 WeakPolarHBondContact CB-CD2 3.36Å; C601-H617 WeakPolarHBondContact CB-NE2 3.24Å; C601-H617 PolarHBondContact SG-NE2 3.17Å; C601-H617 VanDerWaalsContact SG-NE2 3.41Å; W604-H617 AromaticContact CD1-CD2 3.45Å; W604-H617 VanDerWaalsContact CD1-CD2 3.45Å; W604-H617 AromaticContact CD1-CG 3.69Å; W604-H617 AromaticContact CG-CD2 3.9Å; C607-H617 VanDerWaalsContact CB-CE1 3.48Å; C607-H617 WeakPolarHBondContact CB-CE1 3.32Å; C607-H617 VanDerWaalsContact CB-NE2 3.32Å; C607-H617 WeakPolarHBondContact CB-NE2 3.33Å; G610-H617 PolarHBondContact O-CE1 2.69Å; G610-H617 PolarHBondContact O-ND1 3.06Å; C613-H617 WeakPolarHBondContact CB-CE1 3.49Å; Y615-H617 PolarHBondContact O-N 2.92Å; H617-I619 PolarHBondContact O-N 2.75Å | ||
| 618 | P | 78.2 | Confident | 78.7 | Confident | 3 Ų | 3 | 80.4 Ų | 80.4 | 2% | 0.019 | 43% | 0.431 | C | S | . | . | trans | -68.7 | 118.4 | 172.7 | -13.6 | 27.3 | 0 | 0 | 0 | 110.7 | R600 W604 L635 V637 | R600-P618 HydrophobicContact CG-CG 4.41Å; W604-P618 HydrophobicContact CD2-CG 4.41Å; W604-P618 HydrophobicContact CH2-CB 4.49Å; W604-P618 HydrophobicContact CZ2-CB 4.19Å; W604-P618 HydrophobicContact CZ2-CG 4.36Å; W604-P618 WeakPolarHBondContact CZ2-O 3.39Å; W604-P618 PolarHBondContact NE1-O 3.34Å; P618-L635 VanDerWaalsContact CB-O 3.31Å; P618-L635 WeakPolarHBondContact CB-O 3.18Å; P618-L635 VanDerWaalsContact CG-O 3.28Å; P618-L635 WeakPolarHBondContact CG-O 3.43Å; P618-V637 HydrophobicContact CB-CG2 3.57Å | ||
| 619 | I | 74.1 | Confident | 78.5 | Confident | 129 Ų | 129 | 81 Ų | 81 | 66% | 0.662 | 43% | 0.434 | S | S | * | . | trans | -107.3 | -33.9 | 172.7 | -62.7 | 172.5 | 0 | 0 | 0 | 110.7 | D611 H617 | D611-I619 WeakPolarHBondContact OD1-CD1 3.37Å; H617-I619 PolarHBondContact O-N 2.75Å | ||
| 620 | S | 80.1 | Confident | 78.1 | Confident | 53 Ų | 53 | 82 Ų | 82 | 37% | 0.371 | 43% | 0.434 | S | S | . | . | S | Bend | trans | -100.1 | 146 | -178.1 | 47.2 | 0 | 0 | 0 | 0 | 113.9 | F636 V637 | S620-F636 WeakPolarHBondContact OG-CD1 3.43Å; S620-V637 PolarHBondContact O-N 3.47Å |
| 621 | P | 81.7 | Confident | 78 | Confident | 95 Ų | 95 | 80.9 Ų | 80.9 | 62% | 0.617 | 42% | 0.421 | S | S | * | . | B | Isolated β-bridge | trans | -69.9 | 152.8 | 170.5 | 31 | -35.1 | 0 | 0 | 0 | 111.2 | K623 V637 | P621-K623 PolarHBondContact O-N 3.08Å; P621-K623 VanDerWaalsContact O-N 3.16Å; P621-V637 CarbonylContact C-O 3.52Å; P621-V637 WeakPolarHBondContact CA-O 3.4Å |
| 622 | C | 83.1 | Confident | 78 | Confident | 13 Ų | 13 | 78.1 Ų | 78.1 | 9% | 0.088 | 41% | 0.405 | C | S | . | . | trans | -72.1 | 111.1 | -178.5 | -171.9 | 0 | 0 | 0 | 0 | 111.7 | A624 F625 C628 C634 F636 V637 H638 | C622-A624 PolarHBondContact O-N 3.07Å; C622-A624 PolarHBondContact SG-N 3.08Å; C622-F625 HydrophobicContact CB-CB 4.34Å; C622-F625 WeakPolarHBondContact O-CB 3.31Å; C622-F625 PolarHBondContact O-N 3.06Å; C622-C628 PolarHBondContact SG-SG 3.09Å; C622-C634 VanDerWaalsContact SG-SG 3.61Å; C622-F636 HydrophobicContact CB-CB 3.68Å; C622-V637 PolarHBondContact N-O 3.02Å; C622-H638 WeakPolarHBondContact CB-CD2 3.43Å; C622-H638 WeakPolarHBondContact CB-NE2 3.35Å | ||
| 623 | K | 80.4 | Confident | 77.8 | Confident | 214 Ų | 214 | 78.4 Ų | 78.4 | 93% | 0.93 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | -17.7 | 174.2 | -61.3 | -174.6 | 178.9 | -175.3 | 0 | 114.2 | P621 | P621-K623 PolarHBondContact O-N 3.08Å; P621-K623 VanDerWaalsContact O-N 3.16Å |
| 624 | A | 78.1 | Confident | 77.8 | Confident | 53 Ų | 53 | 78.2 Ų | 78.2 | 44% | 0.438 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.4 | -0.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | C622 N627 C628 | C622-A624 PolarHBondContact O-N 3.07Å; C622-A624 PolarHBondContact SG-N 3.08Å; A624-N627 CarbonylContact O-C 3.23Å; A624-N627 VanDerWaalsContact O-C 3.23Å; A624-N627 WeakPolarHBondContact O-CA 3.14Å; A624-N627 PolarHBondContact O-N 3.14Å; A624-C628 HydrophobicContact CB-CB 4.01Å; A624-C628 PolarHBondContact O-N 3.42Å |
| 625 | F | 78.2 | Confident | 77.6 | Confident | 70 Ų | 70 | 78.2 Ų | 78.2 | 31% | 0.307 | 39% | 0.394 | S | S | . | . | trans | -68.1 | 136.9 | 173.2 | -178.8 | -88.8 | 0 | 0 | 0 | 110.1 | C622 H638 P639 P653 F654 | C622-F625 HydrophobicContact CB-CB 4.34Å; C622-F625 WeakPolarHBondContact O-CB 3.31Å; C622-F625 PolarHBondContact O-N 3.06Å; F625-H638 HydrophobicContact CD2-CB 4.2Å; F625-P639 HydrophobicContact CD2-CG 4.26Å; F625-P639 HydrophobicContact CE1-CG 3.9Å; F625-P639 HydrophobicContact CE2-CG 3.6Å; F625-P639 HydrophobicContact CZ-CG 3.4Å; F625-P639 VanDerWaalsContact CZ-CG 3.4Å; F625-P653 HydrophobicContact CE2-CB 4.38Å; F625-P653 WeakPolarHBondContact CE2-O 3.07Å; F625-F654 HydrophobicContact CE2-CD1 4.33Å; F625-F654 HydrophobicContact CE2-CE1 4.3Å; F625-F654 HydrophobicContact CZ-CD1 4.27Å; F625-F654 AromaticContact CZ-CE1 3.8Å; F625-F654 HydrophobicContact CZ-CE1 3.8Å; F625-F654 AromaticContact CZ-CZ 3.98Å; F625-F654 HydrophobicContact CZ-CZ 3.98Å | ||
| 626 | P | 80.2 | Confident | 77.7 | Confident | 74 Ų | 74 | 77.8 Ų | 77.8 | 48% | 0.481 | 39% | 0.394 | S | S | . | . | S | Bend | cis | -85 | -15 | 8 | 33.5 | -36.1 | 0 | 0 | 0 | 115.5 | C628 P653 | P626-C628 PolarHBondContact O-N 3Å; P626-P653 WeakPolarHBondContact O-CB 3.4Å |
| 627 | N | 75.8 | Confident | 77.7 | Confident | 152 Ų | 152 | 77.9 Ų | 77.9 | 81% | 0.813 | 40% | 0.398 | S | S | * | . | S | Bend | trans | -83.8 | 29 | -171.5 | -63.2 | -12.9 | 0 | 0 | 0 | 113.9 | A624 K629 | A624-N627 CarbonylContact O-C 3.23Å; A624-N627 VanDerWaalsContact O-C 3.23Å; A624-N627 WeakPolarHBondContact O-CA 3.14Å; A624-N627 PolarHBondContact O-N 3.14Å; N627-K629 PolarHBondContact O-N 3.43Å; N627-K629 VanDerWaalsContact O-N 3.16Å |
| 628 | C | 79.8 | Confident | 77.8 | Confident | 10 Ų | 10 | 76.9 Ų | 76.9 | 7% | 0.068 | 39% | 0.393 | C | S | . | . | trans | -79.8 | 104.6 | -171.3 | 179.3 | 0 | 0 | 0 | 0 | 111.7 | C622 A624 P626 F630 A631 C634 H638 | C622-C628 PolarHBondContact SG-SG 3.09Å; A624-C628 HydrophobicContact CB-CB 4.01Å; A624-C628 PolarHBondContact O-N 3.42Å; P626-C628 PolarHBondContact O-N 3Å; C628-F630 PolarHBondContact O-N 2.87Å; C628-A631 PolarHBondContact O-N 3.25Å; C628-C634 VanDerWaalsContact SG-SG 3.61Å; C628-H638 VanDerWaalsContact CB-CE1 3.44Å; C628-H638 WeakPolarHBondContact CB-CE1 3.46Å; C628-H638 PolarHBondContact SG-CE1 3.02Å; C628-H638 PolarHBondContact SG-NE2 2.71Å; C628-H638 VanDerWaalsContact SG-NE2 3.42Å | ||
| 629 | K | 76.4 | Confident | 78 | Confident | 181 Ų | 181 | 79.6 Ų | 79.6 | 79% | 0.787 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -9.5 | 179 | 68.9 | 179.3 | -178.6 | 177.9 | 0 | 116.5 | N627 | N627-K629 PolarHBondContact O-N 3.43Å; N627-K629 VanDerWaalsContact O-N 3.16Å |
| 630 | F | 72.2 | Confident | 78.4 | Confident | 120 Ų | 120 | 78.4 Ų | 78.4 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.7 | -10 | 178.9 | -59.6 | -69.1 | 0 | 0 | 0 | 113.8 | C628 E632 K633 C634 | C628-F630 PolarHBondContact O-N 2.87Å; F630-E632 PolarHBondContact O-N 2.94Å; F630-K633 CarbonylContact O-C 3.59Å; F630-K633 WeakPolarHBondContact O-CA 3.35Å; F630-K633 WeakPolarHBondContact O-CB 3.34Å; F630-K633 PolarHBondContact O-N 3.15Å; F630-C634 HydrophobicContact CB-CB 3.73Å; F630-C634 PolarHBondContact O-N 2.82Å |
| 631 | A | 72.8 | Confident | 78.7 | Confident | 11 Ų | 11 | 76.4 Ų | 76.4 | 9% | 0.091 | 39% | 0.392 | C | S | . | . | G | 310 helix | trans | 44 | -123.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.4 | C628 K633 C634 H638 C652 | C628-A631 PolarHBondContact O-N 3.25Å; A631-K633 VanDerWaalsContact C-N 3.28Å; A631-K633 PolarHBondContact O-N 2.58Å; A631-C634 VanDerWaalsContact O-CB 3.22Å; A631-C634 WeakPolarHBondContact O-CB 3.28Å; A631-C634 PolarHBondContact O-N 3.03Å; A631-H638 PolarHBondContact O-CE1 3.46Å; A631-H638 VanDerWaalsContact O-CE1 3.32Å; A631-C652 WeakPolarHBondContact CB-O 3.32Å |
| 632 | E | 68.8 | Low | 78.7 | Confident | 44 Ų | 44 | 80.2 Ų | 80.2 | 21% | 0.206 | 40% | 0.399 | C | S | . | . | G | 310 helix | trans | -63.6 | -29.4 | 178.1 | -65.5 | 176.2 | -145.4 | 0 | 0 | 114.1 | R600 F630 C634 H656 R659 | R600-E632 PolarHBondContact NH1-O 2.94Å; F630-E632 PolarHBondContact O-N 2.94Å; E632-C634 VanDerWaalsContact C-N 3.31Å; E632-H656 VanDerWaalsContact CD-ND1 3.32Å; E632-H656 HydrophobicContact CG-CB 4.45Å; E632-H656 IonicContact OE1-CE1 3.28Å; E632-H656 IonicContact OE1-CG 3.93Å; E632-H656 IonicContact OE1-ND1 3.73Å; E632-H656 PolarHBondContact OE1-ND1 3.21Å; E632-R659 VanDerWaalsContact OE1-CD 3.28Å; E632-R659 WeakPolarHBondContact OE1-CD 3.32Å; E632-R659 IonicContact OE1-CZ 2.74Å; E632-R659 IonicContact OE1-NE 3.06Å; E632-R659 IonicContact OE1-NH1 2.74Å; E632-R659 PolarHBondContact OE1-NH1 3.39Å; E632-R659 WeakPolarHBondContact OE2-CB 3.4Å; E632-R659 WeakPolarHBondContact OE2-CD 3.48Å; E632-R659 IonicContact OE2-NH1 3.52Å |
| 633 | K | 70 | Confident | 78.7 | Confident | 188 Ų | 188 | 86.2 Ų | 86.2 | 82% | 0.817 | 42% | 0.42 | S | S | * | . | G | 310 helix | trans | -82.5 | -6.2 | 179.3 | -59.6 | -174.8 | -179.9 | -177.2 | 0 | 113 | F630 A631 L635 | F630-K633 CarbonylContact O-C 3.59Å; F630-K633 WeakPolarHBondContact O-CA 3.35Å; F630-K633 WeakPolarHBondContact O-CB 3.34Å; F630-K633 PolarHBondContact O-N 3.15Å; A631-K633 VanDerWaalsContact C-N 3.28Å; A631-K633 PolarHBondContact O-N 2.58Å; K633-L635 PolarHBondContact O-N 2.77Å |
| 634 | C | 80.8 | Confident | 78.8 | Confident | 4 Ų | 4 | 77.8 Ų | 77.8 | 3% | 0.027 | 39% | 0.386 | C | S | . | . | trans | -58.9 | 133.3 | 173.9 | -173.8 | 0 | 0 | 0 | 0 | 110.3 | R600 C622 C628 F630 A631 E632 F636 H638 | R600-C634 PolarHBondContact NH1-O 3.22Å; R600-C634 PolarHBondContact NH2-O 3.26Å; C622-C634 VanDerWaalsContact SG-SG 3.61Å; C628-C634 VanDerWaalsContact SG-SG 3.61Å; F630-C634 HydrophobicContact CB-CB 3.73Å; F630-C634 PolarHBondContact O-N 2.82Å; A631-C634 VanDerWaalsContact O-CB 3.22Å; A631-C634 WeakPolarHBondContact O-CB 3.28Å; A631-C634 PolarHBondContact O-N 3.03Å; E632-C634 VanDerWaalsContact C-N 3.31Å; C634-F636 VanDerWaalsContact C-N 3.27Å; C634-F636 PolarHBondContact O-N 3.44Å; C634-H638 WeakPolarHBondContact CB-NE2 3.34Å; C634-H638 PolarHBondContact SG-NE2 3.09Å | ||
| 635 | L | 77.8 | Confident | 78.9 | Confident | 57 Ų | 57 | 79.1 Ų | 79.1 | 30% | 0.298 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -68 | -26.6 | 178.8 | -60.4 | -178.2 | 0 | 0 | 0 | 112.8 | L598 R600 H616 P618 K633 | L598-L635 HydrophobicContact CD2-CD1 4.48Å; L598-L635 VanDerWaalsContact O-CD2 3.24Å; L598-L635 WeakPolarHBondContact O-CD2 3.38Å; R600-L635 PolarHBondContact NH2-O 3.32Å; H616-L635 PolarHBondContact CE1-O 2.87Å; H616-L635 VanDerWaalsContact CE1-O 3.32Å; P618-L635 VanDerWaalsContact CB-O 3.31Å; P618-L635 WeakPolarHBondContact CB-O 3.18Å; P618-L635 VanDerWaalsContact CG-O 3.28Å; P618-L635 WeakPolarHBondContact CG-O 3.43Å; K633-L635 PolarHBondContact O-N 2.77Å |
| 636 | F | 80.3 | Confident | 79 | Confident | 92 Ų | 92 | 84.4 Ų | 84.4 | 40% | 0.404 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -84.5 | 164.3 | 179.5 | -57.5 | -74.4 | 0 | 0 | 0 | 113 | R600 S620 C622 C634 | R600-F636 PolarHBondContact NH2-O 3.38Å; R600-F636 VanDerWaalsContact NH2-O 3.09Å; S620-F636 WeakPolarHBondContact OG-CD1 3.43Å; C622-F636 HydrophobicContact CB-CB 3.68Å; C634-F636 VanDerWaalsContact C-N 3.27Å; C634-F636 PolarHBondContact O-N 3.44Å |
| 637 | V | 82.3 | Confident | 79.2 | Confident | 50 Ų | 50 | 81.7 Ų | 81.7 | 30% | 0.303 | 40% | 0.402 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 128.3 | -179.7 | -174.4 | 0 | 0 | 0 | 0 | 111 | W604 P618 S620 P621 C622 | W604-V637 HydrophobicContact CH2-CG2 4.04Å; W604-V637 HydrophobicContact CZ2-CG2 4.29Å; P618-V637 HydrophobicContact CB-CG2 3.57Å; S620-V637 PolarHBondContact O-N 3.47Å; P621-V637 CarbonylContact C-O 3.52Å; P621-V637 WeakPolarHBondContact CA-O 3.4Å; C622-V637 PolarHBondContact N-O 3.02Å |
| 638 | H | 82.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 80.8 Ų | 80.8 | 1% | 0.005 | 40% | 0.402 | C | S | . | . | trans | -111.8 | 147 | 164.1 | -58.3 | -165.1 | 0 | 0 | 0 | 109.1 | C622 F625 C628 A631 C634 P653 T655 | C622-H638 WeakPolarHBondContact CB-CD2 3.43Å; C622-H638 WeakPolarHBondContact CB-NE2 3.35Å; F625-H638 HydrophobicContact CD2-CB 4.2Å; C628-H638 VanDerWaalsContact CB-CE1 3.44Å; C628-H638 WeakPolarHBondContact CB-CE1 3.46Å; C628-H638 PolarHBondContact SG-CE1 3.02Å; C628-H638 PolarHBondContact SG-NE2 2.71Å; C628-H638 VanDerWaalsContact SG-NE2 3.42Å; A631-H638 PolarHBondContact O-CE1 3.46Å; A631-H638 VanDerWaalsContact O-CE1 3.32Å; C634-H638 WeakPolarHBondContact CB-NE2 3.34Å; C634-H638 PolarHBondContact SG-NE2 3.09Å; H638-P653 PolarHBondContact ND1-O 3.49Å; H638-T655 HydrophobicContact CB-CG2 3.71Å; H638-T655 PolarHBondContact O-OG1 2.89Å | ||
| 639 | P | 82.9 | Confident | 79.5 | Confident | 60 Ų | 60 | 86.9 Ų | 86.9 | 39% | 0.39 | 43% | 0.428 | S | S | . | . | P | Polyproline II helix | trans | -55.6 | 150.8 | 174.4 | 23.7 | -34.3 | 0 | 0 | 0 | 112.2 | F625 F654 T655 | F625-P639 HydrophobicContact CD2-CG 4.26Å; F625-P639 HydrophobicContact CE1-CG 3.9Å; F625-P639 HydrophobicContact CE2-CG 3.6Å; F625-P639 HydrophobicContact CZ-CG 3.4Å; F625-P639 VanDerWaalsContact CZ-CG 3.4Å; P639-F654 HydrophobicContact CB-CD1 4.19Å; P639-F654 HydrophobicContact CB-CE1 4.47Å; P639-F654 HydrophobicContact CG-CD1 3.84Å; P639-F654 HydrophobicContact CG-CE1 3.98Å; P639-F654 CarbonylContact O-C 3.59Å; P639-F654 VanDerWaalsContact O-CA 3.3Å; P639-F654 WeakPolarHBondContact O-CA 3.31Å; P639-F654 WeakPolarHBondContact O-CB 3.24Å; P639-T655 PolarHBondContact O-N 2.96Å |
| 640 | N | 82.8 | Confident | 79.4 | Confident | 104 Ų | 104 | 82.6 Ų | 82.6 | 56% | 0.556 | 42% | 0.418 | S | S | * | . | B | Isolated β-bridge | trans | -68.3 | 144.5 | -175.6 | -62.2 | 79.9 | 0 | 0 | 0 | 112.7 | K642 T655 V657 | N640-K642 PolarHBondContact O-N 3.43Å; N640-T655 CarbonylContact C-O 3.53Å; N640-T655 WeakPolarHBondContact CA-O 3.28Å; N640-V657 VanDerWaalsContact ND2-CG2 3.28Å; N640-V657 WeakPolarHBondContact ND2-CG2 3.27Å |
| 641 | C | 86.5 | Confident | 79.4 | Confident | 12 Ų | 12 | 83.2 Ų | 83.2 | 8% | 0.081 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -73.3 | 122.5 | 175.3 | -177.4 | 0 | 0 | 0 | 0 | 111.1 | Y643 D644 F654 T655 H656 | C641-Y643 PolarHBondContact O-N 3.11Å; C641-Y643 PolarHBondContact SG-N 3.16Å; C641-D644 PolarHBondContact O-N 3.47Å; C641-F654 HydrophobicContact CB-CB 3.73Å; C641-T655 PolarHBondContact N-O 2.84Å; C641-H656 VanDerWaalsContact CB-NE2 3.3Å; C641-H656 WeakPolarHBondContact CB-NE2 3.05Å; C641-H656 PolarHBondContact SG-NE2 2.85Å |
| 642 | K | 82.4 | Confident | 79.7 | Confident | 175 Ų | 175 | 83 Ų | 83 | 76% | 0.761 | 43% | 0.425 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.5 | -31.8 | 173.5 | 174.8 | -177.1 | 170.3 | -163 | 0 | 113.8 | N640 | N640-K642 PolarHBondContact O-N 3.43Š|
| 643 | Y | 82.7 | Confident | 80.2 | Confident | 138 Ų | 138 | 82.9 Ų | 82.9 | 54% | 0.541 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -9.5 | -174.3 | -57.1 | -68.2 | 0 | 0 | 0 | 113.5 | C641 A645 K646 | C641-Y643 PolarHBondContact O-N 3.11Å; C641-Y643 PolarHBondContact SG-N 3.16Å; Y643-A645 PolarHBondContact O-N 3.38Å; Y643-K646 WeakPolarHBondContact O-CA 3.24Å; Y643-K646 VanDerWaalsContact O-CB 3.32Å; Y643-K646 WeakPolarHBondContact O-CB 3.28Å; Y643-K646 PolarHBondContact O-N 3.1Å |
| 644 | D | 82 | Confident | 80.7 | Confident | 38 Ų | 38 | 77.7 Ų | 77.7 | 20% | 0.203 | 41% | 0.405 | C | S | . | . | G | 310 helix | trans | 22 | -112.2 | -169.1 | -164.4 | 32.1 | 0 | 0 | 0 | 115 | C641 K646 C647 H656 V657 S658 | C641-D644 PolarHBondContact O-N 3.47Å; D644-K646 PolarHBondContact O-N 3.42Å; D644-C647 VanDerWaalsContact O-CB 3.31Å; D644-C647 WeakPolarHBondContact O-CB 3.31Å; D644-C647 PolarHBondContact O-N 3.11Å; D644-H656 PolarHBondContact O-CD2 3.41Å; D644-H656 PolarHBondContact O-NE2 3.09Å; D644-H656 VanDerWaalsContact OD1-CA 3.24Å; D644-H656 WeakPolarHBondContact OD1-CA 3.28Å; D644-H656 WeakPolarHBondContact OD1-CB 3.5Å; D644-H656 IonicContact OD1-CD2 3.62Å; D644-H656 PolarHBondContact OD1-CD2 2.93Å; D644-H656 IonicContact OD1-CG 2.71Å; D644-V657 PolarHBondContact OD1-N 3.08Å; D644-S658 PolarHBondContact OD1-N 3.48Å; D644-S658 VanDerWaalsContact OD2-CB 3.28Å; D644-S658 WeakPolarHBondContact OD2-CB 3.36Å; D644-S658 PolarHBondContact OD2-N 2.98Å; D644-S658 PolarHBondContact OD2-OG 2.94Å |
| 645 | A | 80.5 | Confident | 80.7 | Confident | 80 Ų | 80 | 77.8 Ų | 77.8 | 66% | 0.661 | 41% | 0.406 | S | S | * | . | G | 310 helix | trans | -57.5 | -13.7 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | Y643 | Y643-A645 PolarHBondContact O-N 3.38Š|
| 646 | K | 80 | Confident | 80.9 | Confident | 181 Ų | 181 | 75.1 Ų | 75.1 | 79% | 0.787 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | -99.1 | 2.5 | 178.1 | -55.6 | 177.6 | 179.9 | -66.8 | 0 | 112.9 | Y643 D644 T648 | Y643-K646 WeakPolarHBondContact O-CA 3.24Å; Y643-K646 VanDerWaalsContact O-CB 3.32Å; Y643-K646 WeakPolarHBondContact O-CB 3.28Å; Y643-K646 PolarHBondContact O-N 3.1Å; D644-K646 PolarHBondContact O-N 3.42Å; K646-T648 PolarHBondContact O-N 2.7Å |
| 647 | C | 84.4 | Confident | 80.5 | Confident | 17 Ų | 17 | 74 Ų | 74 | 12% | 0.115 | 39% | 0.393 | C | S | . | . | trans | -75.6 | 120.3 | 178.6 | -165.5 | 0 | 0 | 0 | 0 | 111.5 | D644 H656 R659 | D644-C647 VanDerWaalsContact O-CB 3.31Å; D644-C647 WeakPolarHBondContact O-CB 3.31Å; D644-C647 PolarHBondContact O-N 3.11Å; C647-H656 WeakPolarHBondContact CB-NE2 3.37Å; C647-R659 PolarHBondContact O-NH2 3.4Å | ||
| 648 | T | 83.2 | Confident | 79.8 | Confident | 134 Ų | 134 | 74.7 Ų | 74.7 | 82% | 0.822 | 40% | 0.399 | S | S | * | . | trans | -89.7 | -8.8 | 179.5 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | K646 | K646-T648 PolarHBondContact O-N 2.7Š| ||
| 649 | K | 79.4 | Confident | 78.9 | Confident | 138 Ų | 138 | 79.9 Ų | 79.9 | 60% | 0.6 | 42% | 0.419 | S | S | * | . | trans | -77.9 | 123.7 | 177.3 | -65.5 | -165.4 | 174.5 | -165.9 | 0 | 109.9 | C652 | K649-C652 HydrophobicContact CB-CB 4.22Š| ||
| 650 | P | 73 | Confident | 77.8 | Confident | 91 Ų | 91 | 81.3 Ų | 81.3 | 59% | 0.591 | 42% | 0.416 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -56.6 | 175.1 | 23.7 | -29.6 | 0 | 0 | 0 | 110.1 | C652 | P650-C652 VanDerWaalsContact C-N 3.26Å; P650-C652 PolarHBondContact O-N 3.26Å; P650-C652 VanDerWaalsContact O-N 3.08Å |
| 651 | D | 72.5 | Confident | 76.2 | Confident | 132 Ų | 132 | 82 Ų | 82 | 71% | 0.706 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.1 | 55.4 | -179.6 | -49.1 | -74.3 | 0 | 0 | 0 | 111.7 | ||
| 652 | C | 80.1 | Confident | 74 | Confident | 8 Ų | 8 | 85.2 Ų | 85.2 | 5% | 0.054 | 44% | 0.439 | C | S | . | . | trans | -71.9 | 127.1 | 174.6 | -164.3 | 0 | 0 | 0 | 0 | 110 | A631 K649 P650 F654 | A631-C652 WeakPolarHBondContact CB-O 3.32Å; K649-C652 HydrophobicContact CB-CB 4.22Å; P650-C652 VanDerWaalsContact C-N 3.26Å; P650-C652 PolarHBondContact O-N 3.26Å; P650-C652 VanDerWaalsContact O-N 3.08Å; C652-F654 PolarHBondContact O-N 2.71Å; C652-F654 VanDerWaalsContact O-N 3.15Å | ||
| 653 | P | 78.4 | Confident | 72.1 | Confident | 40 Ų | 40 | 83.1 Ų | 83.1 | 26% | 0.26 | 44% | 0.441 | S | S | . | . | S | Bend | trans | -71.7 | -7.4 | -179.9 | 28.6 | -35 | 0 | 0 | 0 | 113.6 | F625 P626 H638 | F625-P653 HydrophobicContact CE2-CB 4.38Å; F625-P653 WeakPolarHBondContact CE2-O 3.07Å; P626-P653 WeakPolarHBondContact O-CB 3.4Å; H638-P653 PolarHBondContact ND1-O 3.49Å |
| 654 | F | 80.9 | Confident | 69.8 | Low | 80 Ų | 80 | 84 Ų | 84 | 35% | 0.351 | 46% | 0.455 | S | S | . | . | S | Bend | trans | -97.1 | 144.5 | 177 | -64.5 | -94.7 | 0 | 0 | 0 | 110.7 | F625 P639 C641 C652 H656 | F625-F654 HydrophobicContact CE2-CD1 4.33Å; F625-F654 HydrophobicContact CE2-CE1 4.3Å; F625-F654 HydrophobicContact CZ-CD1 4.27Å; F625-F654 AromaticContact CZ-CE1 3.8Å; F625-F654 HydrophobicContact CZ-CE1 3.8Å; F625-F654 AromaticContact CZ-CZ 3.98Å; F625-F654 HydrophobicContact CZ-CZ 3.98Å; P639-F654 HydrophobicContact CB-CD1 4.19Å; P639-F654 HydrophobicContact CB-CE1 4.47Å; P639-F654 HydrophobicContact CG-CD1 3.84Å; P639-F654 HydrophobicContact CG-CE1 3.98Å; P639-F654 CarbonylContact O-C 3.59Å; P639-F654 VanDerWaalsContact O-CA 3.3Å; P639-F654 WeakPolarHBondContact O-CA 3.31Å; P639-F654 WeakPolarHBondContact O-CB 3.24Å; C641-F654 HydrophobicContact CB-CB 3.73Å; C652-F654 PolarHBondContact O-N 2.71Å; C652-F654 VanDerWaalsContact O-N 3.15Å; F654-H656 PolarHBondContact O-N 3.42Å |
| 655 | T | 81.5 | Confident | 67.6 | Low | 5 Ų | 5 | 87.2 Ų | 87.2 | 3% | 0.031 | 48% | 0.48 | C | S | . | . | B | Isolated β-bridge | trans | -73.4 | 133.4 | 178.9 | 58.5 | 0 | 0 | 0 | 0 | 112.3 | H638 P639 N640 C641 R660 | H638-T655 HydrophobicContact CB-CG2 3.71Å; H638-T655 PolarHBondContact O-OG1 2.89Å; P639-T655 PolarHBondContact O-N 2.96Å; N640-T655 CarbonylContact C-O 3.53Å; N640-T655 WeakPolarHBondContact CA-O 3.28Å; C641-T655 PolarHBondContact N-O 2.84Å; T655-R660 PolarHBondContact OG1-NH2 3.27Å |
| 656 | H | 81.3 | Confident | 65.7 | Low | 2 Ų | 2 | 89.6 Ų | 89.6 | 1% | 0.009 | 49% | 0.488 | C | S | . | . | P | Polyproline II helix | trans | -81.1 | 147.4 | 163.8 | -67.9 | 91.9 | 0 | 0 | 0 | 109.8 | E632 C641 D644 C647 F654 R659 R660 | E632-H656 VanDerWaalsContact CD-ND1 3.32Å; E632-H656 HydrophobicContact CG-CB 4.45Å; E632-H656 IonicContact OE1-CE1 3.28Å; E632-H656 IonicContact OE1-CG 3.93Å; E632-H656 IonicContact OE1-ND1 3.73Å; E632-H656 PolarHBondContact OE1-ND1 3.21Å; C641-H656 VanDerWaalsContact CB-NE2 3.3Å; C641-H656 WeakPolarHBondContact CB-NE2 3.05Å; C641-H656 PolarHBondContact SG-NE2 2.85Å; D644-H656 PolarHBondContact O-CD2 3.41Å; D644-H656 PolarHBondContact O-NE2 3.09Å; D644-H656 VanDerWaalsContact OD1-CA 3.24Å; D644-H656 WeakPolarHBondContact OD1-CA 3.28Å; D644-H656 WeakPolarHBondContact OD1-CB 3.5Å; D644-H656 IonicContact OD1-CD2 3.62Å; D644-H656 PolarHBondContact OD1-CD2 2.93Å; D644-H656 IonicContact OD1-CG 2.71Å; C647-H656 WeakPolarHBondContact CB-NE2 3.37Å; F654-H656 PolarHBondContact O-N 3.42Å; H656-R659 HydrophobicContact CB-CB 3.86Å; H656-R659 HydrophobicContact CB-CG 3.99Å; H656-R660 VanDerWaalsContact O-CG 3.27Å; H656-R660 WeakPolarHBondContact O-CG 3.3Å; H656-R660 PolarHBondContact O-NE 3.42Å |
| 657 | V | 72.1 | Confident | 63.4 | Low | 69 Ų | 69 | 89.1 Ų | 89.1 | 42% | 0.418 | 49% | 0.486 | S | S | . | . | S | Bend | trans | -102.2 | -44.6 | 170.9 | -176.2 | 0 | 0 | 0 | 0 | 108.9 | N640 D644 R659 R660 | N640-V657 VanDerWaalsContact ND2-CG2 3.28Å; N640-V657 WeakPolarHBondContact ND2-CG2 3.27Å; D644-V657 PolarHBondContact OD1-N 3.08Å; V657-R659 PolarHBondContact O-N 3.47Å; V657-R659 VanDerWaalsContact O-N 3.14Å; V657-R660 WeakPolarHBondContact O-CB 3.02Å; V657-R660 PolarHBondContact O-N 3.2Å |
| 658 | S | 66.8 | Low | 61.4 | Low | 63 Ų | 63 | 93.7 Ų | 93.7 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -22.6 | 178.5 | -63.5 | 0 | 0 | 0 | 0 | 114.1 | D644 | D644-S658 PolarHBondContact OD1-N 3.48Å; D644-S658 VanDerWaalsContact OD2-CB 3.28Å; D644-S658 WeakPolarHBondContact OD2-CB 3.36Å; D644-S658 PolarHBondContact OD2-N 2.98Å; D644-S658 PolarHBondContact OD2-OG 2.94Å |
| 659 | R | 63.8 | Low | 59.3 | Low | 111 Ų | 111 | 92.1 Ų | 92.1 | 42% | 0.419 | 52% | 0.517 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.8 | -8.7 | 173.4 | -67.6 | -179.8 | 174.8 | -176 | 0.1 | 114.4 | E632 C647 H656 V657 I661 | E632-R659 VanDerWaalsContact OE1-CD 3.28Å; E632-R659 WeakPolarHBondContact OE1-CD 3.32Å; E632-R659 IonicContact OE1-CZ 2.74Å; E632-R659 IonicContact OE1-NE 3.06Å; E632-R659 IonicContact OE1-NH1 2.74Å; E632-R659 PolarHBondContact OE1-NH1 3.39Å; E632-R659 WeakPolarHBondContact OE2-CB 3.4Å; E632-R659 WeakPolarHBondContact OE2-CD 3.48Å; E632-R659 IonicContact OE2-NH1 3.52Å; C647-R659 PolarHBondContact O-NH2 3.4Å; H656-R659 HydrophobicContact CB-CB 3.86Å; H656-R659 HydrophobicContact CB-CG 3.99Å; V657-R659 PolarHBondContact O-N 3.47Å; V657-R659 VanDerWaalsContact O-N 3.14Å; R659-I661 PolarHBondContact O-N 3.28Å |
| 660 | R | 58.6 | Low | 57.6 | Low | 89 Ų | 89 | 91.2 Ų | 91.2 | 34% | 0.336 | 52% | 0.522 | S | S | . | . | S | Bend | trans | -78.7 | -6.7 | 177.7 | -57 | -179.1 | -167.6 | -177.1 | 2.3 | 113.5 | T655 H656 V657 P662 | T655-R660 PolarHBondContact OG1-NH2 3.27Å; H656-R660 VanDerWaalsContact O-CG 3.27Å; H656-R660 WeakPolarHBondContact O-CG 3.3Å; H656-R660 PolarHBondContact O-NE 3.42Å; V657-R660 WeakPolarHBondContact O-CB 3.02Å; V657-R660 PolarHBondContact O-N 3.2Å; R660-P662 WeakPolarHBondContact O-CD 3.4Å |
| 661 | I | 50 | Low | 56.2 | Low | 120 Ų | 120 | 90.5 Ų | 90.5 | 62% | 0.615 | 52% | 0.524 | S | S | * | . | S | Bend | trans | -89.5 | 111.2 | 163.8 | -55.6 | 174.3 | 0 | 0 | 0 | 105.5 | R659 V663 | R659-I661 PolarHBondContact O-N 3.28Å; I661-V663 PolarHBondContact O-N 3Å |
| 662 | P | 41.2 | Very low | 55.2 | Low | 78 Ų | 78 | 89.5 Ų | 89.5 | 51% | 0.506 | 53% | 0.525 | S | S | . | . | trans | -59.3 | 113.4 | 165.6 | -19.8 | 32.8 | 0 | 0 | 0 | 107.4 | R660 L664 | R660-P662 WeakPolarHBondContact O-CD 3.4Å; P662-L664 PolarHBondContact O-N 3.3Å | ||
| 663 | V | 40.8 | Very low | 53.5 | Low | 132 Ų | 132 | 95 Ų | 95 | 80% | 0.8 | 56% | 0.561 | S | S | * | * | trans | -58.7 | 114.3 | 161 | 175 | 0 | 0 | 0 | 0 | 104.9 | I661 S665 | I661-V663 PolarHBondContact O-N 3Å; V663-S665 PolarHBondContact O-N 3.45Å; V663-S665 VanDerWaalsContact O-N 3.08Å | ||
| 664 | L | 35.4 | Very low | 51.9 | Low | 157 Ų | 157 | 97.3 Ų | 97.3 | 82% | 0.822 | 58% | 0.582 | S | S | * | * | trans | -55.2 | 120.8 | 177.4 | -73.6 | 169.2 | 0 | 0 | 0 | 107.8 | P662 | P662-L664 PolarHBondContact O-N 3.3Š| ||
| 665 | S | 36.4 | Very low | 50.7 | Low | 104 Ų | 104 | 98.8 Ų | 98.8 | 73% | 0.727 | 60% | 0.6 | S | S | * | * | trans | -45.9 | 135.7 | 170.7 | -48.8 | 0 | 0 | 0 | 0 | 108.7 | V663 K667 | V663-S665 PolarHBondContact O-N 3.45Å; V663-S665 VanDerWaalsContact O-N 3.08Å; S665-K667 PolarHBondContact O-N 2.89Å | ||
| 666 | P | 39.8 | Very low | 49.3 | Very low | 130 Ų | 130 | 102.5 Ų | 102.5 | 84% | 0.844 | 62% | 0.624 | S | S | * | * | trans | -55.2 | 103.3 | -177.1 | -27.1 | 35.3 | 0 | 0 | 0 | 110.9 | ||||
| 667 | K | 32.9 | Very low | 47.9 | Very low | 171 Ų | 171 | 108.9 Ų | 108.9 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -60.5 | 129.5 | 173.4 | -168.7 | 173.3 | -175.3 | 176.1 | 0 | 106.2 | S665 A669 | S665-K667 PolarHBondContact O-N 2.89Å; K667-A669 PolarHBondContact O-N 3.37Å | ||
| 668 | P | 41.9 | Very low | 47.2 | Very low | 114 Ų | 114 | 106.7 Ų | 106.7 | 74% | 0.74 | 66% | 0.657 | S | S | * | * | trans | -52.5 | 136 | 179 | 22 | -33.4 | 0 | 0 | 0 | 108.8 | V670 | P668-V670 PolarHBondContact O-N 3.25Š| ||
| 669 | A | 38.8 | Very low | 47.2 | Very low | 101 Ų | 101 | 109.5 Ų | 109.5 | 84% | 0.835 | 68% | 0.677 | S | S | * | * | trans | -60.1 | 101.3 | -160.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | K667 A671 | K667-A669 PolarHBondContact O-N 3.37Å; A669-A671 PolarHBondContact O-N 2.96Å; A669-A671 VanDerWaalsContact O-N 3.14Å | ||
| 670 | V | 43.4 | Very low | 48.1 | Very low | 119 Ų | 119 | 110.4 Ų | 110.4 | 72% | 0.721 | 69% | 0.686 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 117.4 | 160 | -179.6 | 0 | 0 | 0 | 0 | 105.3 | P668 | P668-V670 PolarHBondContact O-N 3.25Š|
| 671 | A | 43.3 | Very low | 49.4 | Very low | 75 Ų | 75 | 111.4 Ų | 111.4 | 62% | 0.62 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 146.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | A669 | A669-A671 PolarHBondContact O-N 2.96Å; A669-A671 VanDerWaalsContact O-N 3.14Å |
| 672 | P | 52.9 | Low | 51.3 | Low | 112 Ų | 112 | 105.9 Ų | 105.9 | 73% | 0.727 | 67% | 0.669 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 144.6 | 169.9 | 26 | -34.5 | 0 | 0 | 0 | 108.9 | A674 | P672-A674 PolarHBondContact O-N 3.11Š|
| 673 | P | 43.1 | Very low | 53.4 | Low | 124 Ų | 124 | 113.4 Ų | 113.4 | 81% | 0.805 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -52.9 | 133.1 | 173.4 | 24.3 | -33.7 | 0 | 0 | 0 | 108.5 | ||
| 674 | A | 45.3 | Very low | 55.6 | Low | 87 Ų | 87 | 115.5 Ų | 115.5 | 72% | 0.719 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 141.5 | -176.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | P672 | P672-A674 PolarHBondContact O-N 3.11Š|
| 675 | P | 55.9 | Low | 57.9 | Low | 111 Ų | 111 | 110.8 Ų | 110.8 | 72% | 0.721 | 66% | 0.655 | S | S | * | * | P | Polyproline II helix | trans | -56.3 | 143.9 | 173.5 | 26.3 | -34.2 | 0 | 0 | 0 | 109.1 | S677 | P675-S677 PolarHBondContact O-N 2.75Š|
| 676 | P | 52.2 | Low | 60.3 | Low | 83 Ų | 83 | 109.8 Ų | 109.8 | 54% | 0.539 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -53 | 135.2 | 171.9 | 24 | -33.3 | 0 | 0 | 0 | 108.5 | S678 | P676-S678 PolarHBondContact O-N 3.08Š|
| 677 | S | 51.7 | Low | 62.3 | Low | 137 Ų | 137 | 107.4 Ų | 107.4 | 96% | 0.958 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -72.1 | 20.1 | -163.9 | 46.2 | 0 | 0 | 0 | 0 | 115.1 | P675 | P675-S677 PolarHBondContact O-N 2.75Š|
| 678 | S | 57.8 | Low | 65 | Low | 22 Ų | 22 | 100.6 Ų | 100.6 | 15% | 0.154 | 61% | 0.611 | C | S | . | * | trans | -109.8 | 100.3 | 171.4 | 57.3 | 0 | 0 | 0 | 0 | 110.1 | P676 Q680 P694 F695 | P676-S678 PolarHBondContact O-N 3.08Å; S678-Q680 PolarHBondContact O-N 3.09Å; S678-Q680 VanDerWaalsContact O-N 3.15Å; S678-P694 PolarHBondContact OG-O 3.15Å; S678-F695 WeakPolarHBondContact OG-CA 3.42Å | ||
| 679 | S | 66.4 | Low | 67.1 | Low | 123 Ų | 123 | 104.9 Ų | 104.9 | 86% | 0.86 | 62% | 0.618 | S | S | * | * | trans | -65.8 | -5.1 | 162 | 52.6 | 0 | 0 | 0 | 0 | 112.7 | L681 | S679-L681 PolarHBondContact O-N 2.87Š| ||
| 680 | Q | 82.7 | Confident | 69.3 | Low | 130 Ų | 130 | 107 Ų | 107 | 61% | 0.607 | 61% | 0.608 | S | S | * | * | S | Bend | trans | -73.3 | 119.2 | 175 | -63.2 | 179.5 | -6.6 | 0 | 0 | 110.6 | S678 F695 Y696 | S678-Q680 PolarHBondContact O-N 3.09Å; S678-Q680 VanDerWaalsContact O-N 3.15Å; Q680-F695 HydrophobicContact CB-CD1 4.4Å; Q680-Y696 PolarHBondContact O-N 3.32Å; Q680-Y696 VanDerWaalsContact O-N 3.09Å |
| 681 | L | 84.9 | Confident | 71.1 | Confident | 109 Ų | 109 | 110.5 Ų | 110.5 | 57% | 0.571 | 62% | 0.619 | S | S | * | * | B | Isolated β-bridge | trans | -54.3 | 136.3 | 166.2 | -73.8 | 161.8 | 0 | 0 | 0 | 110.2 | S679 R683 Y696 P698 | S679-L681 PolarHBondContact O-N 2.87Å; L681-R683 PolarHBondContact O-N 3.33Å; L681-Y696 HydrophobicContact CD2-CD1 3.69Å; L681-Y696 HydrophobicContact CD2-CE1 4.21Å; L681-Y696 HydrophobicContact CG-CD1 4.48Å; L681-P698 HydrophobicContact CD2-CG 3.39Å |
| 682 | C | 89.6 | Confident | 72.9 | Confident | 5 Ų | 5 | 115.3 Ų | 115.3 | 3% | 0.034 | 63% | 0.629 | C | S | . | * | P | Polyproline II helix | trans | -59 | 122.7 | 176.5 | 179.8 | 0 | 0 | 0 | 0 | 111 | Y684 F685 C693 F695 Y696 H697 | C682-Y684 PolarHBondContact O-N 3.28Å; C682-F685 HydrophobicContact CB-CB 4.13Å; C682-F685 WeakPolarHBondContact O-CB 3.46Å; C682-F685 PolarHBondContact O-N 2.7Å; C682-C693 VanDerWaalsContact SG-SG 3.65Å; C682-F695 HydrophobicContact CB-CB 3.58Å; C682-Y696 PolarHBondContact N-O 2.87Å; C682-H697 WeakPolarHBondContact CB-CD2 3.39Å; C682-H697 VanDerWaalsContact CB-NE2 3.3Å; C682-H697 WeakPolarHBondContact CB-NE2 3.44Å; C682-H697 PolarHBondContact SG-NE2 2.9Å; C682-H697 VanDerWaalsContact SG-NE2 3.37Å |
| 683 | R | 86.5 | Confident | 74.5 | Confident | 236 Ų | 236 | 110.6 Ų | 110.6 | 89% | 0.891 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.3 | -13.3 | -179.4 | -161.9 | 174 | -179.7 | 97.1 | -4.2 | 113.9 | L681 | L681-R683 PolarHBondContact O-N 3.33Š|
| 684 | Y | 86.6 | Confident | 76.5 | Confident | 176 Ų | 176 | 108.9 Ų | 108.9 | 69% | 0.69 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | -0 | 175.2 | -59.1 | -77.9 | 0 | 0 | 0 | 113.6 | C682 A687 C688 | C682-Y684 PolarHBondContact O-N 3.28Å; Y684-A687 CarbonylContact O-C 3.36Å; Y684-A687 WeakPolarHBondContact O-CA 3.46Å; Y684-A687 PolarHBondContact O-N 3.35Å; Y684-C688 PolarHBondContact O-N 3.03Å |
| 685 | F | 84.4 | Confident | 78.5 | Confident | 58 Ų | 58 | 108.8 Ų | 108.8 | 25% | 0.254 | 57% | 0.571 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.3 | 137.9 | 173.8 | -177.1 | -96 | 0 | 0 | 0 | 110.3 | C682 H697 P698 Y715 | C682-F685 HydrophobicContact CB-CB 4.13Å; C682-F685 WeakPolarHBondContact O-CB 3.46Å; C682-F685 PolarHBondContact O-N 2.7Å; F685-H697 HydrophobicContact CD2-CB 4.18Å; F685-H697 AromaticContact CD2-CD2 3.65Å; F685-H697 HydrophobicContact CE2-CB 4.32Å; F685-P698 HydrophobicContact CE1-CG 4.28Å; F685-P698 HydrophobicContact CZ-CB 4.34Å; F685-P698 HydrophobicContact CZ-CG 4.22Å; F685-Y715 HydrophobicContact CE1-CD1 4.33Å; F685-Y715 AromaticContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CE1 4.49Å; F685-Y715 AromaticContact CE1-CE2 3.73Å; F685-Y715 HydrophobicContact CE1-CE2 3.73Å; F685-Y715 AromaticContact CE1-CG 3.85Å; F685-Y715 HydrophobicContact CE1-CG 3.85Å; F685-Y715 AromaticContact CZ-CD1 3.77Å; F685-Y715 HydrophobicContact CZ-CD1 3.77Å; F685-Y715 AromaticContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CE1 4.17Å; F685-Y715 HydrophobicContact CZ-CE2 4.15Å; F685-Y715 AromaticContact CZ-CG 3.53Å; F685-Y715 HydrophobicContact CZ-CG 3.53Å |
| 686 | P | 86.2 | Confident | 80 | Confident | 83 Ų | 83 | 108.7 Ų | 108.7 | 54% | 0.539 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | cis | -87.1 | -4.6 | 5.7 | 37.1 | -39.8 | 0 | 0 | 0 | 115.2 | C688 Y715 | P686-C688 VanDerWaalsContact C-N 3.3Å; P686-C688 PolarHBondContact O-N 3.27Å; P686-Y715 HydrophobicContact CB-CE1 4.1Å; P686-Y715 WeakPolarHBondContact CB-OH 3.45Å; P686-Y715 WeakPolarHBondContact CG-OH 3.38Å |
| 687 | A | 82.4 | Confident | 81.6 | Confident | 80 Ų | 80 | 107.8 Ų | 107.8 | 66% | 0.661 | 55% | 0.545 | S | S | * | . | S | Bend | trans | -83.2 | 6.4 | -172 | 0 | 0 | 0 | 0 | 0 | 115.1 | Y684 K689 | Y684-A687 CarbonylContact O-C 3.36Å; Y684-A687 WeakPolarHBondContact O-CA 3.46Å; Y684-A687 PolarHBondContact O-N 3.35Å; A687-K689 PolarHBondContact O-N 3.05Å |
| 688 | C | 88.3 | Confident | 83.3 | Confident | 28 Ų | 28 | 102.3 Ų | 102.3 | 19% | 0.189 | 51% | 0.507 | C | S | . | . | trans | -69.2 | 114.3 | -174.4 | -171.4 | 0 | 0 | 0 | 0 | 112 | Y684 P686 C693 H697 | Y684-C688 PolarHBondContact O-N 3.03Å; P686-C688 VanDerWaalsContact C-N 3.3Å; P686-C688 PolarHBondContact O-N 3.27Å; C688-C693 VanDerWaalsContact SG-SG 3.69Å; C688-H697 WeakPolarHBondContact CB-NE2 3.28Å | ||
| 689 | K | 85.7 | Confident | 84.6 | Confident | 204 Ų | 204 | 108.9 Ų | 108.9 | 89% | 0.887 | 53% | 0.533 | S | S | * | . | trans | -90.5 | 4.2 | 178.6 | -59.5 | -176.4 | -178.1 | 179.1 | 0 | 114.4 | A687 M691 | A687-K689 PolarHBondContact O-N 3.05Å; K689-M691 PolarHBondContact O-N 3.42Å | ||
| 690 | K | 87.1 | Confident | 85.6 | Confident | 145 Ų | 145 | 107.9 Ų | 107.9 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | trans | -79.6 | 114.4 | 176.5 | -72.1 | -179.2 | 178.1 | -73.7 | 0 | 109.2 | C693 | K690-C693 HydrophobicContact CB-CB 4.27Š| ||
| 691 | M | 79.4 | Confident | 85.9 | Confident | 192 Ų | 192 | 101.9 Ų | 101.9 | 95% | 0.946 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -62.5 | -46.8 | -179.2 | -59.7 | -59.8 | -71.8 | 0 | 0 | 111.7 | K689 | K689-M691 PolarHBondContact O-N 3.42Š|
| 692 | E | 81.4 | Confident | 86 | Confident | 176 Ų | 176 | 107.5 Ų | 107.5 | 82% | 0.822 | 50% | 0.5 | S | S | * | . | S | Bend | trans | -99.3 | 100.5 | 168.2 | -164 | 60.2 | -104.4 | 0 | 0 | 107.8 | ||
| 693 | C | 86.1 | Confident | 85.8 | Confident | 14 Ų | 14 | 113.1 Ų | 113.1 | 10% | 0.095 | 52% | 0.524 | C | S | . | . | trans | -113.2 | 121.9 | -179.1 | -165.9 | 0 | 0 | 0 | 0 | 109.1 | C682 C688 K690 F695 H697 | C682-C693 VanDerWaalsContact SG-SG 3.65Å; C688-C693 VanDerWaalsContact SG-SG 3.69Å; K690-C693 HydrophobicContact CB-CB 4.27Å; C693-F695 PolarHBondContact O-N 3.41Å; C693-H697 VanDerWaalsContact CB-CE1 3.47Å; C693-H697 WeakPolarHBondContact CB-CE1 3.47Å | ||
| 694 | P | 85.4 | Confident | 85.6 | Confident | 87 Ų | 87 | 104.3 Ų | 104.3 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -75.4 | 14.5 | -177.4 | 33.2 | -37.7 | 0 | 0 | 0 | 113.6 | S678 | S678-P694 PolarHBondContact OG-O 3.15Š|
| 695 | F | 87 | Confident | 85.4 | Confident | 86 Ų | 86 | 99.1 Ų | 99.1 | 38% | 0.377 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -126.2 | 149.1 | -179.2 | -64.4 | -77.5 | 0 | 0 | 0 | 110.5 | S678 Q680 C682 C693 H697 | S678-F695 WeakPolarHBondContact OG-CA 3.42Å; Q680-F695 HydrophobicContact CB-CD1 4.4Å; C682-F695 HydrophobicContact CB-CB 3.58Å; C693-F695 PolarHBondContact O-N 3.41Å; F695-H697 PolarHBondContact O-N 2.7Å |
| 696 | Y | 87.7 | Confident | 85.2 | Confident | 109 Ų | 109 | 103.3 Ų | 103.3 | 43% | 0.427 | 50% | 0.502 | S | S | . | . | B | Isolated β-bridge | trans | -66.8 | 128.8 | -172.2 | -178.8 | -118 | 0 | 0 | 0 | 113.1 | Q680 L681 C682 P698 | Q680-Y696 PolarHBondContact O-N 3.32Å; Q680-Y696 VanDerWaalsContact O-N 3.09Å; L681-Y696 HydrophobicContact CD2-CD1 3.69Å; L681-Y696 HydrophobicContact CD2-CE1 4.21Å; L681-Y696 HydrophobicContact CG-CD1 4.48Å; C682-Y696 PolarHBondContact N-O 2.87Å; Y696-P698 HydrophobicContact CD1-CG 4.16Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.72Å |
| 697 | H | 86.4 | Confident | 85.2 | Confident | 63 Ų | 63 | 100.4 Ų | 100.4 | 29% | 0.292 | 48% | 0.483 | S | S | . | . | trans | -111.8 | 111.1 | 169.5 | -69.1 | 157.5 | 0 | 0 | 0 | 109.6 | C682 F685 C688 C693 F695 K699 | C682-H697 WeakPolarHBondContact CB-CD2 3.39Å; C682-H697 VanDerWaalsContact CB-NE2 3.3Å; C682-H697 WeakPolarHBondContact CB-NE2 3.44Å; C682-H697 PolarHBondContact SG-NE2 2.9Å; C682-H697 VanDerWaalsContact SG-NE2 3.37Å; F685-H697 HydrophobicContact CD2-CB 4.18Å; F685-H697 AromaticContact CD2-CD2 3.65Å; F685-H697 HydrophobicContact CE2-CB 4.32Å; C688-H697 WeakPolarHBondContact CB-NE2 3.28Å; C693-H697 VanDerWaalsContact CB-CE1 3.47Å; C693-H697 WeakPolarHBondContact CB-CE1 3.47Å; F695-H697 PolarHBondContact O-N 2.7Å; H697-K699 PolarHBondContact O-N 3.24Å | ||
| 698 | P | 87.1 | Confident | 85.3 | Confident | 23 Ų | 23 | 103.2 Ų | 103.2 | 15% | 0.149 | 49% | 0.492 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 134.4 | 173.4 | -20.7 | 30.6 | 0 | 0 | 0 | 111.4 | L681 F685 Y696 | L681-P698 HydrophobicContact CD2-CG 3.39Å; F685-P698 HydrophobicContact CE1-CG 4.28Å; F685-P698 HydrophobicContact CZ-CB 4.34Å; F685-P698 HydrophobicContact CZ-CG 4.22Å; Y696-P698 HydrophobicContact CD1-CG 4.16Å; Y696-P698 HydrophobicContact CE1-CB 4.18Å; Y696-P698 HydrophobicContact CE1-CG 3.72Å |
| 699 | K | 85.9 | Confident | 85.2 | Confident | 160 Ų | 160 | 110.4 Ų | 110.4 | 70% | 0.696 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 139 | 177.3 | -70 | 178.5 | -180 | 176.8 | 0 | 110.1 | H697 F714 Y715 | H697-K699 PolarHBondContact O-N 3.24Å; K699-F714 HydrophobicContact CB-CD1 3.94Å; K699-F714 HydrophobicContact CB-CE1 4.23Å; K699-F714 CarbonylContact O-C 3.22Å; K699-F714 WeakPolarHBondContact O-CA 3.3Å; K699-F714 WeakPolarHBondContact O-CB 3.24Å; K699-Y715 PolarHBondContact O-N 2.85Å |
| 700 | H | 86.7 | Confident | 84.9 | Confident | 101 Ų | 101 | 106.4 Ų | 106.4 | 47% | 0.468 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -62.2 | 135.8 | 176.9 | -169 | -71.5 | 0 | 0 | 0 | 111 | P717 | H700-P717 WeakPolarHBondContact NE2-CD 3.2Å |
| 701 | C | 89.3 | Confident | 84.7 | Confident | 5 Ų | 5 | 106 Ų | 106 | 3% | 0.034 | 52% | 0.515 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.2 | 178.1 | -178.1 | 0 | 0 | 0 | 0 | 111.1 | F703 N704 F714 Y715 H716 | C701-F703 PolarHBondContact O-N 3.31Å; C701-F703 VanDerWaalsContact O-N 3.15Å; C701-F703 PolarHBondContact SG-N 3.32Å; C701-F703 VanDerWaalsContact SG-N 3.38Å; C701-N704 PolarHBondContact O-N 3.32Å; C701-N704 VanDerWaalsContact O-N 3.16Å; C701-F714 HydrophobicContact CB-CB 3.65Å; C701-Y715 WeakPolarHBondContact CB-O 3.42Å; C701-Y715 PolarHBondContact N-O 2.92Å; C701-H716 WeakPolarHBondContact CB-CD2 3.22Å; C701-H716 WeakPolarHBondContact CB-NE2 3.41Å; C701-H716 PolarHBondContact SG-NE2 3.16Å |
| 702 | R | 87.6 | Confident | 85 | Confident | 227 Ų | 227 | 98.3 Ų | 98.3 | 86% | 0.857 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.2 | -30.2 | 174.3 | -179.2 | 178.4 | 175.1 | 91 | 1.5 | 112.8 | ||
| 703 | F | 83.9 | Confident | 85.1 | Confident | 123 Ų | 123 | 95.5 Ų | 95.5 | 54% | 0.539 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -6.6 | -176.8 | -58 | -74.8 | 0 | 0 | 0 | 113.6 | C701 Q706 C707 | C701-F703 PolarHBondContact O-N 3.31Å; C701-F703 VanDerWaalsContact O-N 3.15Å; C701-F703 PolarHBondContact SG-N 3.32Å; C701-F703 VanDerWaalsContact SG-N 3.38Å; F703-Q706 CarbonylContact O-C 3.58Å; F703-Q706 WeakPolarHBondContact O-CA 3.31Å; F703-Q706 VanDerWaalsContact O-CB 3.26Å; F703-Q706 WeakPolarHBondContact O-CB 3.14Å; F703-Q706 PolarHBondContact O-N 3.02Å; F703-C707 HydrophobicContact CB-CB 3.86Å |
| 704 | N | 83.3 | Confident | 85.1 | Confident | 51 Ų | 51 | 99.7 Ų | 99.7 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | 50.7 | -141.6 | -179 | -160.5 | -15.2 | 0 | 0 | 0 | 111.3 | C701 Q706 C707 H716 P717 | C701-N704 PolarHBondContact O-N 3.32Å; C701-N704 VanDerWaalsContact O-N 3.16Å; N704-Q706 PolarHBondContact O-N 2.9Å; N704-C707 WeakPolarHBondContact O-CB 3.39Å; N704-C707 PolarHBondContact O-N 3.21Å; N704-H716 PolarHBondContact O-CD2 3.29Å; N704-P717 WeakPolarHBondContact OD1-CD 3.31Å; N704-P717 WeakPolarHBondContact OD1-CG 3.36Å |
| 705 | T | 82.9 | Confident | 85.3 | Confident | 66 Ų | 66 | 98.3 Ų | 98.3 | 41% | 0.405 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -57.7 | -12.2 | 171.8 | 55.1 | 0 | 0 | 0 | 0 | 115 | C707 I719 | T705-C707 VanDerWaalsContact C-N 3.3Å; T705-I719 HydrophobicContact CG2-CB 4.4Å; T705-I719 HydrophobicContact CG2-CD1 3.58Å; T705-I719 HydrophobicContact CG2-CG1 3.74Å |
| 706 | Q | 78.8 | Confident | 85.1 | Confident | 146 Ų | 146 | 97 Ų | 97 | 68% | 0.682 | 47% | 0.471 | S | S | * | . | G | 310 helix | trans | -89.7 | 7.2 | 176 | -43.5 | -52.8 | 107 | 0 | 0 | 112.3 | F703 N704 T708 | F703-Q706 CarbonylContact O-C 3.58Å; F703-Q706 WeakPolarHBondContact O-CA 3.31Å; F703-Q706 VanDerWaalsContact O-CB 3.26Å; F703-Q706 WeakPolarHBondContact O-CB 3.14Å; F703-Q706 PolarHBondContact O-N 3.02Å; N704-Q706 PolarHBondContact O-N 2.9Å; Q706-T708 PolarHBondContact O-N 3.42Å |
| 707 | C | 85.9 | Confident | 84.8 | Confident | 23 Ų | 23 | 93.2 Ų | 93.2 | 16% | 0.155 | 46% | 0.459 | C | S | . | . | trans | -74.8 | 115.2 | 174.4 | -161 | 0 | 0 | 0 | 0 | 111 | F703 N704 T705 R709 H716 | F703-C707 HydrophobicContact CB-CB 3.86Å; N704-C707 WeakPolarHBondContact O-CB 3.39Å; N704-C707 PolarHBondContact O-N 3.21Å; T705-C707 VanDerWaalsContact C-N 3.3Å; C707-R709 VanDerWaalsContact C-N 3.32Å; C707-H716 WeakPolarHBondContact CB-NE2 3.44Å | ||
| 708 | T | 84.9 | Confident | 83.9 | Confident | 139 Ų | 139 | 95.6 Ų | 95.6 | 85% | 0.853 | 48% | 0.478 | S | S | * | . | trans | -88.6 | 6.8 | 177.5 | 52.6 | 0 | 0 | 0 | 0 | 113.8 | Q706 | Q706-T708 PolarHBondContact O-N 3.42Š| ||
| 709 | R | 86.1 | Confident | 83 | Confident | 178 Ų | 178 | 99.1 Ų | 99.1 | 67% | 0.672 | 50% | 0.495 | S | S | * | . | trans | -87.8 | 121.6 | 178.1 | -63.7 | -174.9 | 67.6 | 108.7 | 3 | 109.7 | C707 C712 | C707-R709 VanDerWaalsContact C-N 3.32Å; R709-C712 HydrophobicContact CB-CB 4.37Å | ||
| 710 | P | 80.1 | Confident | 81.6 | Confident | 120 Ų | 120 | 98.5 Ų | 98.5 | 78% | 0.779 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | -48.6 | 176.6 | 23.7 | -30.5 | 0 | 0 | 0 | 111 | C712 | P710-C712 PolarHBondContact O-N 3.47Š|
| 711 | D | 82.8 | Confident | 80.3 | Confident | 138 Ų | 138 | 98.1 Ų | 98.1 | 74% | 0.738 | 50% | 0.504 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.2 | 47.5 | -178.5 | -41.6 | -71.6 | 0 | 0 | 0 | 112.4 | T713 | D711-T713 PolarHBondContact O-N 3.01Š|
| 712 | C | 85.6 | Confident | 78.8 | Confident | 29 Ų | 29 | 101.2 Ų | 101.2 | 20% | 0.196 | 52% | 0.524 | C | S | . | . | trans | -79.7 | 111.1 | 177.5 | -167.3 | 0 | 0 | 0 | 0 | 110.7 | R709 P710 F714 H716 | R709-C712 HydrophobicContact CB-CB 4.37Å; P710-C712 PolarHBondContact O-N 3.47Å; C712-F714 PolarHBondContact O-N 2.76Å; C712-H716 VanDerWaalsContact CB-CE1 3.43Å; C712-H716 WeakPolarHBondContact CB-CE1 3.17Å; C712-H716 PolarHBondContact SG-NE2 3.06Å; C712-H716 VanDerWaalsContact SG-NE2 3.4Å | ||
| 713 | T | 83.6 | Confident | 77.6 | Confident | 117 Ų | 117 | 94.1 Ų | 94.1 | 72% | 0.718 | 51% | 0.507 | S | S | * | . | trans | -76 | 6.4 | 177.3 | 54.1 | 0 | 0 | 0 | 0 | 114.3 | D711 | D711-T713 PolarHBondContact O-N 3.01Š| ||
| 714 | F | 87.2 | Confident | 76.4 | Confident | 103 Ų | 103 | 99.8 Ų | 99.8 | 45% | 0.452 | 53% | 0.525 | S | S | . | . | S | Bend | trans | -109.1 | 147.2 | -179.8 | -63.8 | -89.9 | 0 | 0 | 0 | 110.9 | K699 C701 C712 H716 | K699-F714 HydrophobicContact CB-CD1 3.94Å; K699-F714 HydrophobicContact CB-CE1 4.23Å; K699-F714 CarbonylContact O-C 3.22Å; K699-F714 WeakPolarHBondContact O-CA 3.3Å; K699-F714 WeakPolarHBondContact O-CB 3.24Å; C701-F714 HydrophobicContact CB-CB 3.65Å; C712-F714 PolarHBondContact O-N 2.76Å; F714-H716 PolarHBondContact O-N 3.04Å |
| 715 | Y | 88.3 | Confident | 75.5 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 22% | 0.224 | 54% | 0.544 | C | S | . | . | B | Isolated β-bridge | trans | -65.6 | 131.9 | -177.1 | 172.4 | -116.6 | 0 | 0 | 0 | 112.8 | F685 P686 K699 C701 P717 | F685-Y715 HydrophobicContact CE1-CD1 4.33Å; F685-Y715 AromaticContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CD2 3.53Å; F685-Y715 HydrophobicContact CE1-CE1 4.49Å; F685-Y715 AromaticContact CE1-CE2 3.73Å; F685-Y715 HydrophobicContact CE1-CE2 3.73Å; F685-Y715 AromaticContact CE1-CG 3.85Å; F685-Y715 HydrophobicContact CE1-CG 3.85Å; F685-Y715 AromaticContact CZ-CD1 3.77Å; F685-Y715 HydrophobicContact CZ-CD1 3.77Å; F685-Y715 AromaticContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CD2 3.75Å; F685-Y715 HydrophobicContact CZ-CE1 4.17Å; F685-Y715 HydrophobicContact CZ-CE2 4.15Å; F685-Y715 AromaticContact CZ-CG 3.53Å; F685-Y715 HydrophobicContact CZ-CG 3.53Å; P686-Y715 HydrophobicContact CB-CE1 4.1Å; P686-Y715 WeakPolarHBondContact CB-OH 3.45Å; P686-Y715 WeakPolarHBondContact CG-OH 3.38Å; K699-Y715 PolarHBondContact O-N 2.85Å; C701-Y715 WeakPolarHBondContact CB-O 3.42Å; C701-Y715 PolarHBondContact N-O 2.92Å; Y715-P717 HydrophobicContact CE1-CB 3.87Å; Y715-P717 HydrophobicContact CE1-CG 4.34Å; Y715-P717 VanDerWaalsContact CZ-CA 3.49Å; Y715-P717 WeakPolarHBondContact OH-CA 3.41Å |
| 716 | H | 84 | Confident | 74.6 | Confident | 60 Ų | 60 | 104 Ų | 104 | 28% | 0.278 | 55% | 0.549 | S | S | . | . | trans | -109.4 | 115.1 | 165.3 | -55.8 | 139.4 | 0 | 0 | 0 | 108.3 | C701 N704 C707 C712 F714 T718 | C701-H716 WeakPolarHBondContact CB-CD2 3.22Å; C701-H716 WeakPolarHBondContact CB-NE2 3.41Å; C701-H716 PolarHBondContact SG-NE2 3.16Å; N704-H716 PolarHBondContact O-CD2 3.29Å; C707-H716 WeakPolarHBondContact CB-NE2 3.44Å; C712-H716 VanDerWaalsContact CB-CE1 3.43Å; C712-H716 WeakPolarHBondContact CB-CE1 3.17Å; C712-H716 PolarHBondContact SG-NE2 3.06Å; C712-H716 VanDerWaalsContact SG-NE2 3.4Å; F714-H716 PolarHBondContact O-N 3.04Å; H716-T718 PolarHBondContact O-N 3.5Å | ||
| 717 | P | 79.8 | Confident | 74.3 | Confident | 29 Ų | 29 | 102 Ų | 102 | 19% | 0.188 | 54% | 0.542 | C | S | . | . | trans | -61 | 123.4 | 168.1 | 25.2 | -34 | 0 | 0 | 0 | 110.3 | H700 N704 Y715 I719 | H700-P717 WeakPolarHBondContact NE2-CD 3.2Å; N704-P717 WeakPolarHBondContact OD1-CD 3.31Å; N704-P717 WeakPolarHBondContact OD1-CG 3.36Å; Y715-P717 HydrophobicContact CE1-CB 3.87Å; Y715-P717 HydrophobicContact CE1-CG 4.34Å; Y715-P717 VanDerWaalsContact CZ-CA 3.49Å; Y715-P717 WeakPolarHBondContact OH-CA 3.41Å; P717-I719 PolarHBondContact O-N 3.02Å | ||
| 718 | T | 69.4 | Low | 73.8 | Confident | 113 Ų | 113 | 108.9 Ų | 108.9 | 69% | 0.693 | 57% | 0.569 | S | S | * | * | trans | -69.4 | 96.4 | 173.5 | 48.5 | 0 | 0 | 0 | 0 | 109.1 | H716 N720 | H716-T718 PolarHBondContact O-N 3.5Å; T718-N720 VanDerWaalsContact C-N 3.27Å; T718-N720 PolarHBondContact O-N 2.94Å | ||
| 719 | I | 66.9 | Low | 72.7 | Confident | 97 Ų | 97 | 114.4 Ų | 114.4 | 50% | 0.497 | 58% | 0.575 | S | S | . | * | trans | -72.2 | 85.1 | 177.2 | -58.3 | -175.6 | 0 | 0 | 0 | 108.6 | T705 P717 V721 | T705-I719 HydrophobicContact CG2-CB 4.4Å; T705-I719 HydrophobicContact CG2-CD1 3.58Å; T705-I719 HydrophobicContact CG2-CG1 3.74Å; P717-I719 PolarHBondContact O-N 3.02Å; I719-V721 HydrophobicContact CG2-CB 3.81Å; I719-V721 HydrophobicContact CG2-CG2 3.43Å; I719-V721 VanDerWaalsContact CG2-CG2 3.43Å; I719-V721 PolarHBondContact O-N 3.01Å | ||
| 720 | N | 56.8 | Low | 72 | Confident | 147 Ų | 147 | 113.3 Ų | 113.3 | 79% | 0.786 | 58% | 0.58 | S | S | * | * | trans | -73.6 | 44.2 | 170.2 | -73.6 | 10.7 | 0 | 0 | 0 | 111.6 | T718 P722 | T718-N720 VanDerWaalsContact C-N 3.27Å; T718-N720 PolarHBondContact O-N 2.94Å; N720-P722 WeakPolarHBondContact O-CD 3.35Å | ||
| 721 | V | 58.6 | Low | 71.1 | Confident | 93 Ų | 93 | 118.2 Ų | 118.2 | 56% | 0.564 | 58% | 0.583 | S | S | * | * | P | Polyproline II helix | trans | -73 | 123.8 | 166 | 167.3 | 0 | 0 | 0 | 0 | 106.9 | I719 L727 | I719-V721 HydrophobicContact CG2-CB 3.81Å; I719-V721 HydrophobicContact CG2-CG2 3.43Å; I719-V721 VanDerWaalsContact CG2-CG2 3.43Å; I719-V721 PolarHBondContact O-N 3.01Å; V721-L727 HydrophobicContact CG1-CD1 4.01Å |
| 722 | P | 57.8 | Low | 70 | Confident | 69 Ų | 69 | 116.9 Ų | 116.9 | 45% | 0.448 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -52.5 | 140.5 | 175.3 | -27.3 | 35.7 | 0 | 0 | 0 | 110.7 | N720 A726 | N720-P722 WeakPolarHBondContact O-CD 3.35Å; P722-A726 HydrophobicContact CB-CB 3.91Å |
| 723 | P | 63.6 | Low | 68.7 | Low | 78 Ų | 78 | 124.3 Ų | 124.3 | 51% | 0.506 | 61% | 0.614 | S | S | . | * | P | Polyproline II helix | trans | -50.8 | 146.3 | 179.7 | -27.1 | 34.2 | 0 | 0 | 0 | 111.5 | H725 A726 | P723-H725 VanDerWaalsContact CB-CE1 3.45Å; P723-H725 WeakPolarHBondContact CB-CE1 3.33Å; P723-H725 PolarHBondContact O-N 3.5Å; P723-A726 WeakPolarHBondContact O-CB 3.47Å; P723-A726 PolarHBondContact O-N 3.07Å |
| 724 | R | 58.3 | Low | 67.4 | Low | 243 Ų | 243 | 125 Ų | 125 | 92% | 0.917 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.4 | -20.8 | -172.2 | -80.8 | -164.9 | -104 | -138.2 | -1.5 | 115.3 | A726 | R724-A726 VanDerWaalsContact C-N 3.31Å; R724-A726 PolarHBondContact O-N 3.16Å |
| 725 | H | 64.6 | Low | 65.9 | Low | 145 Ų | 145 | 125.6 Ų | 125.6 | 67% | 0.671 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -20.1 | 174 | 59.1 | -122.6 | 0 | 0 | 0 | 114.8 | P723 K728 | P723-H725 VanDerWaalsContact CB-CE1 3.45Å; P723-H725 WeakPolarHBondContact CB-CE1 3.33Å; P723-H725 PolarHBondContact O-N 3.5Å; H725-K728 WeakPolarHBondContact O-CE 3.42Å |
| 726 | A | 62.9 | Low | 64 | Low | 61 Ų | 61 | 135.6 Ų | 135.6 | 50% | 0.504 | 68% | 0.684 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.9 | -23.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | P722 P723 R724 K728 | P722-A726 HydrophobicContact CB-CB 3.91Å; P723-A726 WeakPolarHBondContact O-CB 3.47Å; P723-A726 PolarHBondContact O-N 3.07Å; R724-A726 VanDerWaalsContact C-N 3.31Å; R724-A726 PolarHBondContact O-N 3.16Å; A726-K728 VanDerWaalsContact C-N 3.27Å; A726-K728 PolarHBondContact O-N 3.3Å |
| 727 | L | 73.1 | Confident | 63 | Low | 103 Ų | 103 | 139.4 Ų | 139.4 | 54% | 0.539 | 70% | 0.704 | S | S | . | * | trans | -85.5 | 63.4 | 178.3 | -70.9 | 164.4 | 0 | 0 | 0 | 111.2 | V721 | V721-L727 HydrophobicContact CG1-CD1 4.01Š| ||
| 728 | K | 74.6 | Confident | 62.2 | Low | 168 Ų | 168 | 145.2 Ų | 145.2 | 73% | 0.73 | 73% | 0.732 | S | S | * | * | trans | -88.9 | 124.5 | 174.3 | -68 | -176.4 | -178.8 | 179.4 | 0 | 110.6 | H725 A726 I730 | H725-K728 WeakPolarHBondContact O-CE 3.42Å; A726-K728 VanDerWaalsContact C-N 3.27Å; A726-K728 PolarHBondContact O-N 3.3Å; K728-I730 PolarHBondContact O-N 2.84Å | ||
| 729 | W | 62.6 | Low | 61.8 | Low | 255 Ų | 255 | 146.9 Ų | 146.9 | 97% | 0.966 | 73% | 0.734 | S | S | * | * | trans | -71.7 | 115.1 | 170.2 | -69.6 | 84.9 | 0 | 0 | 0 | 109.8 | ||||
| 730 | I | 71.5 | Confident | 61.5 | Low | 155 Ų | 155 | 149.9 Ų | 149.9 | 80% | 0.795 | 75% | 0.748 | S | S | * | * | P | Polyproline II helix | trans | -94 | 121.9 | 169.8 | -55 | 176.8 | 0 | 0 | 0 | 106.9 | K728 | K728-I730 PolarHBondContact O-N 2.84Š|
| 731 | R | 62 | Low | 61.8 | Low | 222 Ų | 222 | 150.1 Ų | 150.1 | 84% | 0.838 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69.8 | 128.3 | 172.1 | -166.6 | -179.6 | -162.9 | 168.1 | 4.3 | 107.8 | Q733 | R731-Q733 PolarHBondContact O-N 3.15Š|
| 732 | P | 58.8 | Low | 62 | Low | 111 Ų | 111 | 153.9 Ų | 153.9 | 72% | 0.721 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 126.5 | 172.7 | 25.3 | -32.7 | 0 | 0 | 0 | 108.6 | T734 | P732-T734 PolarHBondContact O-N 2.86Š|
| 733 | Q | 59.1 | Low | 62.3 | Low | 184 Ų | 184 | 159.9 Ų | 159.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 123.5 | 168.3 | -69.5 | -73.5 | 19.3 | 0 | 0 | 107.4 | R731 S735 | R731-Q733 PolarHBondContact O-N 3.15Å; Q733-S735 PolarHBondContact O-N 3.43Å |
| 734 | T | 55.5 | Low | 62.2 | Low | 132 Ų | 132 | 166.2 Ų | 166.2 | 81% | 0.81 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 116 | 165.7 | 44.8 | 0 | 0 | 0 | 0 | 107.5 | P732 | P732-T734 PolarHBondContact O-N 2.86Š|
| 735 | S | 56.4 | Low | 62.5 | Low | 116 Ų | 116 | 159.8 Ų | 159.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 135.7 | 166.4 | 50.4 | 0 | 0 | 0 | 0 | 109.5 | Q733 | Q733-S735 PolarHBondContact O-N 3.43Š|
| 736 | E | 48.7 | Very low | 62.3 | Low | 266 Ų | 266 | 161.2 Ų | 161.2 | 100% | 1.243 | 80% | 0.802 | S | S | * | * | trans | -67.9 | 0 | 174.2 | -160.5 | 171 | 126.6 | 0 | 0 | 111.8 |
Retrieved 736 of 736 residues in 77.9 ms
(Link to these results)