| 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 | 54.5 | Low | 74.9 | Confident | 192 Ų | 192 | 107.8 Ų | 107.8 | 95% | 0.946 | 56% | 0.559 | S | S | * | * | 0 | -27.4 | 0 | -65 | -56.5 | -85.2 | 0 | 0 | 113.6 | |||||
| 2 | G | 61.3 | Low | 76.3 | Confident | 37 Ų | 37 | 106.1 Ų | 106.1 | 38% | 0.381 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -74.3 | -47.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | L4 R5 E6 | G2-L4 PolarHBondContact O-N 3.05Å; G2-R5 PolarHBondContact O-N 3.32Å; G2-E6 PolarHBondContact O-N 2.92Å |
| 3 | V | 63.3 | Low | 77.4 | Confident | 91 Ų | 91 | 100.3 Ų | 100.3 | 55% | 0.552 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -58.9 | -40.5 | -176.4 | -175.1 | 0 | 0 | 0 | 0 | 113.2 | R5 E6 E7 | V3-R5 VanDerWaalsContact C-N 3.29Å; V3-R5 PolarHBondContact O-N 3.05Å; V3-E6 PolarHBondContact O-N 3.33Å; V3-E7 WeakPolarHBondContact O-CG 3.42Å; V3-E7 PolarHBondContact O-N 3.06Å |
| 4 | L | 68.6 | Low | 78.6 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -33.1 | 177.4 | -67.7 | 172.8 | 0 | 0 | 0 | 112.7 | G2 E8 | G2-L4 PolarHBondContact O-N 3.05Å; L4-E8 WeakPolarHBondContact O-CB 3.45Å; L4-E8 WeakPolarHBondContact O-CG 3.38Å; L4-E8 PolarHBondContact O-N 3Å |
| 5 | R | 72.8 | Confident | 79.7 | Confident | 174 Ų | 174 | 101.9 Ų | 101.9 | 66% | 0.657 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.6 | -32.2 | 177.3 | -77.7 | -160.2 | -65.2 | -119.3 | 2.2 | 112.9 | G2 V3 S9 | G2-R5 PolarHBondContact O-N 3.32Å; V3-R5 VanDerWaalsContact C-N 3.29Å; V3-R5 PolarHBondContact O-N 3.05Å; R5-S9 WeakPolarHBondContact O-CB 3.19Å; R5-S9 PolarHBondContact O-N 3.29Å |
| 6 | E | 76.2 | Confident | 80.4 | Confident | 121 Ų | 121 | 99.3 Ų | 99.3 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.3 | -42.4 | 175 | -71.7 | 168.8 | -172 | 0 | 0 | 110.3 | G2 V3 S9 C10 | G2-E6 PolarHBondContact O-N 2.92Å; V3-E6 PolarHBondContact O-N 3.33Å; E6-S9 PolarHBondContact O-N 3Å; E6-C10 PolarHBondContact O-N 3Å; E6-C10 PolarHBondContact O-SG 3.42Å |
| 7 | E | 80.2 | Confident | 81.3 | Confident | 105 Ų | 105 | 96.9 Ų | 96.9 | 49% | 0.491 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -44.3 | 173.2 | -71.5 | 172.8 | 178.1 | 0 | 0 | 111.9 | V3 S9 C10 L11 | V3-E7 WeakPolarHBondContact O-CG 3.42Å; V3-E7 PolarHBondContact O-N 3.06Å; E7-S9 PolarHBondContact O-N 3.02Å; E7-C10 PolarHBondContact O-N 3.34Å; E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 3.46Å |
| 8 | E | 84 | Confident | 82.1 | Confident | 126 Ų | 126 | 96.9 Ų | 96.9 | 59% | 0.589 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.7 | -39 | 174.9 | -75.5 | 168.3 | -177.4 | 0 | 0 | 112.8 | L4 L12 | L4-E8 WeakPolarHBondContact O-CB 3.45Å; L4-E8 WeakPolarHBondContact O-CG 3.38Å; L4-E8 PolarHBondContact O-N 3Å; E8-L12 WeakPolarHBondContact O-CB 3.34Å; E8-L12 PolarHBondContact O-N 2.99Å |
| 9 | S | 86.3 | Confident | 82.7 | Confident | 40 Ų | 40 | 97.6 Ų | 97.6 | 28% | 0.28 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 175.9 | 179.7 | 0 | 0 | 0 | 0 | 111.9 | R5 E6 E7 L12 L13 N205 | R5-S9 WeakPolarHBondContact O-CB 3.19Å; R5-S9 PolarHBondContact O-N 3.29Å; E6-S9 PolarHBondContact O-N 3Å; E7-S9 PolarHBondContact O-N 3.02Å; S9-L12 PolarHBondContact O-N 3.28Å; S9-L13 WeakPolarHBondContact O-CB 3.43Å; S9-L13 PolarHBondContact O-N 3.23Å; S9-N205 PolarHBondContact OG-ND2 2.73Å; S9-N205 PolarHBondContact OG-OD1 2.72Å |
| 10 | C | 86.8 | Confident | 83.3 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 52% | 0.52 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -42.8 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 112.1 | E6 E7 L13 D14 | E6-C10 PolarHBondContact O-N 3Å; E6-C10 PolarHBondContact O-SG 3.42Å; E7-C10 PolarHBondContact O-N 3.34Å; C10-L13 PolarHBondContact O-N 3.23Å; C10-D14 PolarHBondContact O-N 2.93Å |
| 11 | L | 90.5 | Very high | 84 | Confident | 124 Ų | 124 | 93.9 Ų | 93.9 | 65% | 0.649 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.4 | -42.3 | 177.3 | -70.9 | 174.2 | 0 | 0 | 0 | 112 | E7 L13 D14 E15 | E7-L11 WeakPolarHBondContact O-CG 3.35Å; E7-L11 PolarHBondContact O-N 3.46Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.2Å; L11-D14 PolarHBondContact O-N 2.98Å; L11-E15 PolarHBondContact O-N 3.24Å |
| 12 | L | 90.8 | Very high | 86 | Confident | 87 Ų | 87 | 89.1 Ų | 89.1 | 46% | 0.455 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 176.9 | -175.6 | 155 | 0 | 0 | 0 | 111.6 | E8 S9 E15 K16 | E8-L12 WeakPolarHBondContact O-CB 3.34Å; E8-L12 PolarHBondContact O-N 2.99Å; S9-L12 PolarHBondContact O-N 3.28Å; L12-E15 PolarHBondContact O-N 3.07Å; L12-K16 HydrophobicContact CD2-CD 4Å; L12-K16 VanDerWaalsContact CD2-CE 3.47Å; L12-K16 HydrophobicContact CD2-CG 4.46Å; L12-K16 WeakPolarHBondContact O-CG 3.48Å; L12-K16 PolarHBondContact O-N 3.4Å; L12-K16 VanDerWaalsContact O-N 3.09Å |
| 13 | L | 91.4 | Very high | 87.6 | Confident | 31 Ų | 31 | 88.9 Ų | 88.9 | 16% | 0.162 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -65.9 | -41.6 | 175.5 | -173.5 | 69.7 | 0 | 0 | 0 | 111.9 | S9 C10 L11 K16 L17 L198 D201 L202 | S9-L13 WeakPolarHBondContact O-CB 3.43Å; S9-L13 PolarHBondContact O-N 3.23Å; C10-L13 PolarHBondContact O-N 3.23Å; L11-L13 VanDerWaalsContact C-N 3.31Å; L11-L13 PolarHBondContact O-N 3.2Å; L13-K16 PolarHBondContact O-N 3.36Å; L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 3.27Å; L13-L198 HydrophobicContact CD1-CD1 3.52Å; L13-L198 HydrophobicContact CG-CD1 4.22Å; L13-D201 HydrophobicContact CD1-CB 3.87Å; L13-L202 HydrophobicContact CD1-CG 4.43Å; L13-L202 HydrophobicContact CD2-CD2 3.71Å; L13-L202 HydrophobicContact CD2-CG 4.39Å |
| 14 | D | 94.3 | Very high | 89.1 | Confident | 84 Ų | 84 | 87 Ų | 87 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -64.5 | -41.9 | 176.5 | -166.7 | 49.1 | 0 | 0 | 0 | 111.5 | C10 L11 K16 L17 L18 | C10-D14 PolarHBondContact O-N 2.93Å; L11-D14 PolarHBondContact O-N 2.98Å; D14-K16 VanDerWaalsContact C-N 3.35Å; D14-K16 PolarHBondContact O-N 3.09Å; D14-L17 WeakPolarHBondContact O-CB 3.49Å; D14-L17 PolarHBondContact O-N 3.23Å; D14-L17 VanDerWaalsContact O-N 3.13Å; D14-L18 WeakPolarHBondContact O-CG 3.42Å; D14-L18 PolarHBondContact O-N 2.95Å |
| 15 | E | 94.3 | Very high | 90.5 | Very high | 140 Ų | 140 | 89 Ų | 89 | 65% | 0.654 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -58.5 | -45.3 | 173.9 | -174.2 | -177.6 | -176.5 | 0 | 0 | 111.8 | L11 L12 L17 L18 Y19 | L11-E15 PolarHBondContact O-N 3.24Å; L12-E15 PolarHBondContact O-N 3.07Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.49Å; E15-L18 PolarHBondContact O-N 3.29Å; E15-Y19 PolarHBondContact O-N 3.3Å |
| 16 | K | 91.8 | Very high | 91.7 | Very high | 60 Ų | 60 | 83.6 Ų | 83.6 | 26% | 0.261 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -65 | -36 | 175.6 | -73.6 | -176 | -177.3 | -175.5 | 0 | 112.7 | L12 L13 D14 F20 E197 L198 D201 | L12-K16 HydrophobicContact CD2-CD 4Å; L12-K16 VanDerWaalsContact CD2-CE 3.47Å; L12-K16 HydrophobicContact CD2-CG 4.46Å; L12-K16 WeakPolarHBondContact O-CG 3.48Å; L12-K16 PolarHBondContact O-N 3.4Å; L12-K16 VanDerWaalsContact O-N 3.09Å; L13-K16 PolarHBondContact O-N 3.36Å; D14-K16 VanDerWaalsContact C-N 3.35Å; D14-K16 PolarHBondContact O-N 3.09Å; K16-F20 WeakPolarHBondContact O-CB 3.48Å; K16-F20 PolarHBondContact O-N 3.43Å; K16-E197 WeakPolarHBondContact CE-OE1 3.46Å; K16-E197 IonicContact NZ-OE1 2.73Å; K16-E197 PolarHBondContact NZ-OE1 2.98Å; K16-L198 HydrophobicContact CB-CD1 4.48Å; K16-D201 WeakPolarHBondContact CD-OD2 3.46Å; K16-D201 IonicContact NZ-OD2 2.72Å; K16-D201 PolarHBondContact NZ-OD2 3.4Å |
| 17 | L | 94.6 | Very high | 92.6 | Very high | 60 Ų | 60 | 78.2 Ų | 78.2 | 31% | 0.314 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -65.1 | -47.1 | 176.2 | 176.3 | 64 | 0 | 0 | 0 | 110.9 | L13 D14 E15 Y19 F20 M21 L198 | L13-L17 WeakPolarHBondContact O-CB 3.44Å; L13-L17 PolarHBondContact O-N 3.27Å; D14-L17 WeakPolarHBondContact O-CB 3.49Å; D14-L17 PolarHBondContact O-N 3.23Å; D14-L17 VanDerWaalsContact O-N 3.13Å; E15-L17 VanDerWaalsContact C-N 3.33Å; E15-L17 PolarHBondContact O-N 3.49Å; L17-Y19 VanDerWaalsContact C-N 3.34Å; L17-Y19 PolarHBondContact O-N 3.46Å; L17-F20 WeakPolarHBondContact O-CB 3.33Å; L17-F20 PolarHBondContact O-N 2.88Å; L17-M21 HydrophobicContact CD1-CE 3.73Å; L17-M21 WeakPolarHBondContact O-CG 3.37Å; L17-M21 PolarHBondContact O-N 3.47Å; L17-L198 HydrophobicContact CB-CD1 4.28Å; L17-L198 HydrophobicContact CD1-CD2 3.84Å |
| 18 | L | 95.9 | Very high | 93.4 | Very high | 97 Ų | 97 | 77.1 Ų | 77.1 | 51% | 0.508 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -58.5 | -47.8 | 175.7 | -70.8 | 173.8 | 0 | 0 | 0 | 110.7 | D14 E15 F20 M21 D22 | D14-L18 WeakPolarHBondContact O-CG 3.42Å; D14-L18 PolarHBondContact O-N 2.95Å; E15-L18 PolarHBondContact O-N 3.29Å; L18-F20 VanDerWaalsContact C-N 3.3Å; L18-F20 PolarHBondContact O-N 3.5Å; L18-M21 PolarHBondContact O-N 3.29Å; L18-M21 VanDerWaalsContact O-N 3.08Å; L18-D22 PolarHBondContact O-N 3Å |
| 19 | Y | 94.1 | Very high | 94.1 | Very high | 109 Ų | 109 | 76.7 Ų | 76.7 | 43% | 0.427 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -55.5 | -44.7 | 174.7 | 174.9 | -100.2 | 0 | 0 | 0 | 112.2 | E15 L17 M21 D22 Q23 A194 | E15-Y19 PolarHBondContact O-N 3.3Å; L17-Y19 VanDerWaalsContact C-N 3.34Å; L17-Y19 PolarHBondContact O-N 3.46Å; Y19-M21 PolarHBondContact O-N 3.34Å; Y19-D22 PolarHBondContact O-N 2.93Å; Y19-Q23 HydrophobicContact CD1-CG 4.32Å; Y19-Q23 HydrophobicContact CE1-CG 3.86Å; Y19-Q23 HydrophobicContact CE2-CG 4.07Å; Y19-Q23 WeakPolarHBondContact O-CG 3.4Å; Y19-Q23 PolarHBondContact O-N 3.3Å; Y19-A194 HydrophobicContact CE1-CB 4.39Å |
| 20 | F | 95.1 | Very high | 94.6 | Very high | 24 Ų | 24 | 76.8 Ų | 76.8 | 11% | 0.105 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -61.4 | -41.3 | 176.5 | 168.7 | -105.7 | 0 | 0 | 0 | 112.7 | K16 L17 L18 Q23 L24 V191 A194 R195 | K16-F20 WeakPolarHBondContact O-CB 3.48Å; K16-F20 PolarHBondContact O-N 3.43Å; L17-F20 WeakPolarHBondContact O-CB 3.33Å; L17-F20 PolarHBondContact O-N 2.88Å; L18-F20 VanDerWaalsContact C-N 3.3Å; L18-F20 PolarHBondContact O-N 3.5Å; F20-Q23 PolarHBondContact O-N 3.16Å; F20-L24 HydrophobicContact CD1-CD1 4.09Å; F20-L24 HydrophobicContact CE1-CD1 3.4Å; F20-L24 VanDerWaalsContact CE1-CD1 3.4Å; F20-L24 HydrophobicContact CE1-CG 4.25Å; F20-L24 HydrophobicContact CE2-CD1 4.06Å; F20-L24 HydrophobicContact CE2-CD2 4.48Å; F20-L24 HydrophobicContact CE2-CG 4.09Å; F20-L24 HydrophobicContact CZ-CD1 3.4Å; F20-L24 HydrophobicContact CZ-CD2 4.37Å; F20-L24 HydrophobicContact CZ-CG 3.93Å; F20-L24 PolarHBondContact O-N 2.94Å; F20-V191 HydrophobicContact CD2-CG1 4.43Å; F20-V191 HydrophobicContact CE2-CG1 3.76Å; F20-A194 HydrophobicContact CB-CB 4.4Å; F20-A194 HydrophobicContact CD2-CB 4.02Å; F20-R195 HydrophobicContact CD2-CB 4.38Å; F20-R195 HydrophobicContact CE2-CB 3.77Å; F20-R195 HydrophobicContact CE2-CG 4.37Å; F20-R195 HydrophobicContact CZ-CB 4.28Å; F20-R195 HydrophobicContact CZ-CG 4.39Å |
| 21 | M | 96.9 | Very high | 95.1 | Very high | 93 Ų | 93 | 77.8 Ų | 77.8 | 46% | 0.458 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -65.2 | -42.5 | 177.4 | -67 | -61.5 | 174.9 | 0 | 0 | 111.7 | L17 L18 Y19 Q23 L24 E25 | L17-M21 HydrophobicContact CD1-CE 3.73Å; L17-M21 WeakPolarHBondContact O-CG 3.37Å; L17-M21 PolarHBondContact O-N 3.47Å; L18-M21 PolarHBondContact O-N 3.29Å; L18-M21 VanDerWaalsContact O-N 3.08Å; Y19-M21 PolarHBondContact O-N 3.34Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 2.92Å; M21-L24 WeakPolarHBondContact O-CB 3.45Å; M21-L24 PolarHBondContact O-N 2.9Å; M21-L24 VanDerWaalsContact O-N 3.14Å; M21-L24 HydrophobicContact SD-CD1 4.27Å; M21-E25 PolarHBondContact O-N 3.28Å |
| 22 | D | 96.5 | Very high | 95.5 | Very high | 92 Ų | 92 | 78.9 Ų | 78.9 | 49% | 0.492 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.3 | -42 | 175.8 | -66.7 | -15.5 | 0 | 0 | 0 | 111.4 | L18 Y19 L24 E25 L26 | L18-D22 PolarHBondContact O-N 3Å; Y19-D22 PolarHBondContact O-N 2.93Å; D22-L24 VanDerWaalsContact C-N 3.31Å; D22-L24 PolarHBondContact O-N 3.41Å; D22-E25 PolarHBondContact O-N 2.98Å; D22-L26 WeakPolarHBondContact O-CB 3.32Å; D22-L26 PolarHBondContact O-N 2.97Å |
| 23 | Q | 94.6 | Very high | 95.8 | Very high | 32 Ų | 32 | 78 Ų | 78 | 15% | 0.15 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -65.7 | -33.9 | 176.3 | -64.3 | -46.9 | -69.7 | 0 | 0 | 112.4 | Y19 F20 M21 L27 V190 V191 | Y19-Q23 HydrophobicContact CD1-CG 4.32Å; Y19-Q23 HydrophobicContact CE1-CG 3.86Å; Y19-Q23 HydrophobicContact CE2-CG 4.07Å; Y19-Q23 WeakPolarHBondContact O-CG 3.4Å; Y19-Q23 PolarHBondContact O-N 3.3Å; F20-Q23 PolarHBondContact O-N 3.16Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 2.92Å; Q23-L27 WeakPolarHBondContact O-CB 3.41Å; Q23-L27 PolarHBondContact O-N 3.43Å; Q23-V190 HydrophobicContact CG-CG1 4.12Å; Q23-V191 HydrophobicContact CB-CG2 3.77Å |
| 24 | L | 96.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 77.9 Ų | 77.9 | 28% | 0.277 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -68.4 | -43.1 | 174.5 | -81.5 | 177.7 | 0 | 0 | 0 | 112.2 | F20 M21 D22 L27 E28 V191 | F20-L24 HydrophobicContact CD1-CD1 4.09Å; F20-L24 HydrophobicContact CE1-CD1 3.4Å; F20-L24 VanDerWaalsContact CE1-CD1 3.4Å; F20-L24 HydrophobicContact CE1-CG 4.25Å; F20-L24 HydrophobicContact CE2-CD1 4.06Å; F20-L24 HydrophobicContact CE2-CD2 4.48Å; F20-L24 HydrophobicContact CE2-CG 4.09Å; F20-L24 HydrophobicContact CZ-CD1 3.4Å; F20-L24 HydrophobicContact CZ-CD2 4.37Å; F20-L24 HydrophobicContact CZ-CG 3.93Å; F20-L24 PolarHBondContact O-N 2.94Å; M21-L24 WeakPolarHBondContact O-CB 3.45Å; M21-L24 PolarHBondContact O-N 2.9Å; M21-L24 VanDerWaalsContact O-N 3.14Å; M21-L24 HydrophobicContact SD-CD1 4.27Å; D22-L24 VanDerWaalsContact C-N 3.31Å; D22-L24 PolarHBondContact O-N 3.41Å; L24-L27 WeakPolarHBondContact O-CB 3.41Å; L24-L27 PolarHBondContact O-N 3.26Å; L24-E28 PolarHBondContact O-N 3.48Å; L24-V191 HydrophobicContact CD2-CG1 3.54Å; L24-V191 HydrophobicContact CD2-CG2 4.49Å; L24-V191 HydrophobicContact CG-CG1 4.19Å |
| 25 | E | 97.6 | Very high | 96.3 | Very high | 140 Ų | 140 | 78 Ų | 78 | 65% | 0.654 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -59.9 | -48.5 | 176.4 | -178.6 | 171.8 | -160.3 | 0 | 0 | 110.8 | M21 D22 L27 E28 E29 | M21-E25 PolarHBondContact O-N 3.28Å; D22-E25 PolarHBondContact O-N 2.98Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 2.93Å; E25-E28 PolarHBondContact O-N 3.27Å; E25-E28 VanDerWaalsContact O-N 3.16Å; E25-E29 PolarHBondContact O-N 3.02Å |
| 26 | L | 96.8 | Very high | 96.4 | Very high | 61 Ų | 61 | 74.6 Ų | 74.6 | 32% | 0.319 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 176.9 | -177.7 | 62.8 | 0 | 0 | 0 | 112.2 | D22 K30 L187 | D22-L26 WeakPolarHBondContact O-CB 3.32Å; D22-L26 PolarHBondContact O-N 2.97Å; L26-K30 WeakPolarHBondContact O-CG 3.48Å; L26-K30 PolarHBondContact O-N 3.35Å; L26-L187 HydrophobicContact CD2-CD1 3.97Å; L26-L187 HydrophobicContact CD2-CD2 3.98Å; L26-L187 HydrophobicContact CG-CD1 3.9Å |
| 27 | L | 96.1 | Very high | 96.7 | Very high | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -60.6 | -47 | 175.7 | -177.4 | 82.9 | 0 | 0 | 0 | 111.4 | Q23 L24 E25 K30 R31 I184 L187 Q188 | Q23-L27 WeakPolarHBondContact O-CB 3.41Å; Q23-L27 PolarHBondContact O-N 3.43Å; L24-L27 WeakPolarHBondContact O-CB 3.41Å; L24-L27 PolarHBondContact O-N 3.26Å; E25-L27 VanDerWaalsContact C-N 3.3Å; E25-L27 PolarHBondContact O-N 2.93Å; L27-K30 PolarHBondContact O-N 3.35Å; L27-R31 WeakPolarHBondContact O-CB 3.47Å; L27-R31 VanDerWaalsContact O-CG 3.32Å; L27-R31 WeakPolarHBondContact O-CG 3.48Å; L27-R31 PolarHBondContact O-N 3.15Å; L27-I184 HydrophobicContact CD1-CG2 4.15Å; L27-L187 HydrophobicContact CD1-CB 3.95Å; L27-Q188 HydrophobicContact CD1-CG 3.55Å |
| 28 | E | 97.3 | Very high | 96.9 | Very high | 83 Ų | 83 | 72.1 Ų | 72.1 | 39% | 0.388 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -67.2 | -38.5 | -179.3 | -74.6 | -60.2 | 127.9 | 0 | 0 | 112.2 | L24 E25 R31 K32 | L24-E28 PolarHBondContact O-N 3.48Å; E25-E28 PolarHBondContact O-N 3.27Å; E25-E28 VanDerWaalsContact O-N 3.16Å; E28-R31 PolarHBondContact O-N 3.07Å; E28-R31 IonicContact OE1-CZ 3.87Å; E28-R31 IonicContact OE1-NH1 2.84Å; E28-R31 PolarHBondContact OE1-NH1 3.49Å; E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 2.95Å |
| 29 | E | 98 | Very high | 97 | Very high | 116 Ų | 116 | 72.9 Ų | 72.9 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -59.9 | -50.3 | 172.8 | -172.8 | -177.1 | -173.5 | 0 | 0 | 111.3 | E25 R31 K32 T33 | E25-E29 PolarHBondContact O-N 3.02Å; E29-R31 VanDerWaalsContact C-N 3.3Å; E29-R31 PolarHBondContact O-N 3.08Å; E29-K32 PolarHBondContact O-N 3.3Å; E29-T33 PolarHBondContact O-N 3.31Å; E29-T33 PolarHBondContact O-OG1 2.93Å |
| 30 | K | 96.8 | Very high | 97.1 | Very high | 43 Ų | 43 | 72.4 Ų | 72.4 | 19% | 0.187 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -62.1 | -37.4 | 178.5 | -70.3 | -160.8 | -172.4 | -173.3 | 0 | 112.2 | L26 L27 T33 L34 L180 E183 I184 L187 | L26-K30 WeakPolarHBondContact O-CG 3.48Å; L26-K30 PolarHBondContact O-N 3.35Å; L27-K30 PolarHBondContact O-N 3.35Å; K30-T33 PolarHBondContact O-N 3.49Å; K30-L34 WeakPolarHBondContact O-CB 3.44Å; K30-L34 PolarHBondContact O-N 3.5Å; K30-L180 HydrophobicContact CB-CD1 4.14Å; K30-L180 HydrophobicContact CD-CD1 3.83Å; K30-L180 HydrophobicContact CG-CD1 4.12Å; K30-E183 IonicContact NZ-OE2 2.69Å; K30-E183 PolarHBondContact NZ-OE2 2.92Å; K30-I184 HydrophobicContact CB-CD1 4.05Å; K30-I184 HydrophobicContact CB-CG1 3.69Å; K30-I184 HydrophobicContact CD-CG1 4.46Å; K30-L187 HydrophobicContact CD-CD1 3.65Å; K30-L187 HydrophobicContact CG-CD1 4.43Å |
| 31 | R | 97.5 | Very high | 97.2 | Very high | 97 Ų | 97 | 71.2 Ų | 71.2 | 37% | 0.366 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.6 | -78.7 | 172.8 | 167.4 | -180 | -5.9 | 112.8 | L27 E28 E29 L34 N35 I184 | L27-R31 WeakPolarHBondContact O-CB 3.47Å; L27-R31 VanDerWaalsContact O-CG 3.32Å; L27-R31 WeakPolarHBondContact O-CG 3.48Å; L27-R31 PolarHBondContact O-N 3.15Å; E28-R31 PolarHBondContact O-N 3.07Å; E28-R31 IonicContact OE1-CZ 3.87Å; E28-R31 IonicContact OE1-NH1 2.84Å; E28-R31 PolarHBondContact OE1-NH1 3.49Å; E29-R31 VanDerWaalsContact C-N 3.3Å; E29-R31 PolarHBondContact O-N 3.08Å; R31-L34 WeakPolarHBondContact O-CB 3.2Å; R31-L34 PolarHBondContact O-N 2.87Å; R31-N35 WeakPolarHBondContact O-CB 3.46Å; R31-N35 PolarHBondContact O-N 3.32Å; R31-I184 HydrophobicContact CG-CD1 4.44Å |
| 32 | K | 98.1 | Very high | 97.2 | Very high | 148 Ų | 148 | 73.8 Ų | 73.8 | 64% | 0.643 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -46.2 | 175.7 | -71.9 | 169.6 | -175 | 171.4 | 0 | 111 | E28 E29 L34 N35 S36 | E28-K32 WeakPolarHBondContact O-CG 3.48Å; E28-K32 PolarHBondContact O-N 2.95Å; E29-K32 PolarHBondContact O-N 3.3Å; K32-L34 PolarHBondContact O-N 3.04Å; K32-N35 PolarHBondContact O-N 3.38Å; K32-S36 PolarHBondContact O-N 3.47Å |
| 33 | T | 97.8 | Very high | 97.2 | Very high | 67 Ų | 67 | 76.2 Ų | 76.2 | 41% | 0.411 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.5 | -44.1 | 176.6 | -57.8 | 0 | 0 | 0 | 0 | 111.6 | E29 K30 N35 S36 L37 L180 | E29-T33 PolarHBondContact O-N 3.31Å; E29-T33 PolarHBondContact O-OG1 2.93Å; K30-T33 PolarHBondContact O-N 3.49Å; T33-N35 VanDerWaalsContact C-N 3.35Å; T33-N35 PolarHBondContact O-N 3.08Å; T33-S36 PolarHBondContact O-N 3.3Å; T33-L37 HydrophobicContact CG2-CD1 4.32Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 2.93Å; T33-L180 HydrophobicContact CG2-CD2 3.93Å |
| 34 | L | 97.8 | Very high | 97.3 | Very high | 29 Ų | 29 | 75 Ų | 75 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 175.1 | -174.5 | 80.1 | 0 | 0 | 0 | 111.3 | K30 R31 K32 S36 L37 I38 V177 L180 S181 I184 | K30-L34 WeakPolarHBondContact O-CB 3.44Å; K30-L34 PolarHBondContact O-N 3.5Å; R31-L34 WeakPolarHBondContact O-CB 3.2Å; R31-L34 PolarHBondContact O-N 2.87Å; K32-L34 PolarHBondContact O-N 3.04Å; L34-S36 PolarHBondContact O-N 3.13Å; L34-L37 PolarHBondContact O-N 2.94Å; L34-I38 HydrophobicContact CD2-CD1 4.28Å; L34-I38 HydrophobicContact CG-CD1 3.98Å; L34-I38 VanDerWaalsContact O-CG1 3.32Å; L34-I38 WeakPolarHBondContact O-CG1 3.37Å; L34-I38 PolarHBondContact O-N 3.17Å; L34-V177 HydrophobicContact CD1-CB 4.24Å; L34-V177 HydrophobicContact CD1-CG1 3.79Å; L34-V177 WeakPolarHBondContact CD1-O 3.27Å; L34-L180 HydrophobicContact CB-CD2 3.82Å; L34-L180 HydrophobicContact CB-CG 4.42Å; L34-L180 HydrophobicContact CD1-CB 3.98Å; L34-L180 HydrophobicContact CD1-CD2 4.06Å; L34-L180 HydrophobicContact CD1-CG 4.11Å; L34-S181 WeakPolarHBondContact CD1-OG 3.39Å; L34-I184 HydrophobicContact CB-CD1 3.82Å; L34-I184 HydrophobicContact CD1-CD1 4.28Å; L34-I184 HydrophobicContact CD2-CD1 3.78Å; L34-I184 HydrophobicContact CG-CD1 4.17Å |
| 35 | N | 97.9 | Very high | 97.2 | Very high | 86 Ų | 86 | 74.1 Ų | 74.1 | 46% | 0.46 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | -179.6 | -167.9 | 57.9 | 0 | 0 | 0 | 111.7 | R31 K32 T33 L37 I38 E39 | R31-N35 WeakPolarHBondContact O-CB 3.46Å; R31-N35 PolarHBondContact O-N 3.32Å; K32-N35 PolarHBondContact O-N 3.38Å; T33-N35 VanDerWaalsContact C-N 3.35Å; T33-N35 PolarHBondContact O-N 3.08Å; N35-L37 VanDerWaalsContact C-N 3.35Å; N35-L37 PolarHBondContact O-N 3.2Å; N35-I38 PolarHBondContact O-N 2.98Å; N35-E39 PolarHBondContact ND2-OE1 2.74Å; N35-E39 WeakPolarHBondContact O-CG 3.48Å; N35-E39 PolarHBondContact O-N 2.96Å |
| 36 | S | 97.9 | Very high | 97.1 | Very high | 69 Ų | 69 | 70.8 Ų | 70.8 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -42.9 | 175.6 | -175.5 | 0 | 0 | 0 | 0 | 112.4 | K32 T33 L34 E39 Q40 | K32-S36 PolarHBondContact O-N 3.47Å; T33-S36 PolarHBondContact O-N 3.3Å; L34-S36 PolarHBondContact O-N 3.13Å; S36-E39 PolarHBondContact O-N 2.76Å; S36-Q40 WeakPolarHBondContact O-CB 3.39Å; S36-Q40 PolarHBondContact O-N 3.2Å |
| 37 | L | 97.6 | Very high | 97 | Very high | 22 Ų | 22 | 72.3 Ų | 72.3 | 12% | 0.115 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -67.1 | -37.8 | 177 | -71 | 171.6 | 0 | 0 | 0 | 112.6 | T33 L34 N35 Q40 G41 Q176 V177 L180 | T33-L37 HydrophobicContact CG2-CD1 4.32Å; T33-L37 WeakPolarHBondContact O-CG 3.38Å; T33-L37 PolarHBondContact O-N 2.93Å; L34-L37 PolarHBondContact O-N 2.94Å; N35-L37 VanDerWaalsContact C-N 3.35Å; N35-L37 PolarHBondContact O-N 3.2Å; L37-Q40 PolarHBondContact O-N 3.21Å; L37-G41 PolarHBondContact O-N 2.93Å; L37-Q176 HydrophobicContact CD1-CB 3.99Å; L37-V177 HydrophobicContact CB-CG2 3.54Å; L37-L180 HydrophobicContact CD1-CD2 4.21Å |
| 38 | I | 97.9 | Very high | 96.8 | Very high | 47 Ų | 47 | 72 Ų | 72 | 24% | 0.241 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.2 | -48.2 | 174.8 | -73.3 | 171.1 | 0 | 0 | 0 | 110.1 | L34 N35 Q40 G41 W42 V177 | L34-I38 HydrophobicContact CD2-CD1 4.28Å; L34-I38 HydrophobicContact CG-CD1 3.98Å; L34-I38 VanDerWaalsContact O-CG1 3.32Å; L34-I38 WeakPolarHBondContact O-CG1 3.37Å; L34-I38 PolarHBondContact O-N 3.17Å; N35-I38 PolarHBondContact O-N 2.98Å; I38-Q40 PolarHBondContact O-N 3.3Å; I38-G41 PolarHBondContact O-N 2.79Å; I38-W42 VanDerWaalsContact CG2-CD1 3.46Å; I38-W42 PolarHBondContact O-N 2.86Å; I38-V177 HydrophobicContact CD1-CG1 4.07Å; I38-V177 HydrophobicContact CG1-CB 4.42Å; I38-V177 HydrophobicContact CG1-CG1 3.68Å; I38-V177 HydrophobicContact CG1-CG2 3.74Å |
| 39 | E | 97.7 | Very high | 96.6 | Very high | 112 Ų | 112 | 72.5 Ų | 72.5 | 52% | 0.523 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59 | -46.4 | 176.9 | -72.6 | 171.5 | -173.7 | 0 | 0 | 111.3 | N35 S36 G41 W42 F43 | N35-E39 PolarHBondContact ND2-OE1 2.74Å; N35-E39 WeakPolarHBondContact O-CG 3.48Å; N35-E39 PolarHBondContact O-N 2.96Å; S36-E39 PolarHBondContact O-N 2.76Å; E39-G41 VanDerWaalsContact C-N 3.35Å; E39-G41 PolarHBondContact O-N 3.49Å; E39-W42 PolarHBondContact O-N 3.46Å; E39-F43 VanDerWaalsContact O-CB 3.25Å; E39-F43 WeakPolarHBondContact O-CB 3.48Å; E39-F43 PolarHBondContact O-N 3.14Å |
| 40 | Q | 97 | Very high | 96.4 | Very high | 99 Ų | 99 | 76.9 Ų | 76.9 | 46% | 0.463 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 176.5 | -172 | -177.1 | 17.9 | 0 | 0 | 112.1 | S36 L37 I38 S44 | S36-Q40 WeakPolarHBondContact O-CB 3.39Å; S36-Q40 PolarHBondContact O-N 3.2Å; L37-Q40 PolarHBondContact O-N 3.21Å; I38-Q40 PolarHBondContact O-N 3.3Å; Q40-S44 VanDerWaalsContact O-CB 3.28Å; Q40-S44 WeakPolarHBondContact O-CB 3.37Å; Q40-S44 PolarHBondContact O-N 3.26Å; Q40-S44 PolarHBondContact O-OG 3.38Å |
| 41 | G | 96.8 | Very high | 96.1 | Very high | 0 Ų | 0 | 78.3 Ų | 78.3 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.4 | -49.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | L37 I38 E39 S44 I45 | L37-G41 PolarHBondContact O-N 2.93Å; I38-G41 PolarHBondContact O-N 2.79Å; E39-G41 VanDerWaalsContact C-N 3.35Å; E39-G41 PolarHBondContact O-N 3.49Å; G41-S44 PolarHBondContact O-N 3.23Å; G41-I45 WeakPolarHBondContact O-CG1 3.35Å; G41-I45 PolarHBondContact O-N 2.84Å |
| 42 | W | 96.7 | Very high | 95.7 | Very high | 147 Ų | 147 | 76.1 Ų | 76.1 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -66.4 | -39.3 | 178.4 | -75.6 | 123.3 | 0 | 0 | 0 | 113.3 | I38 E39 S44 I45 S46 F174 | I38-W42 VanDerWaalsContact CG2-CD1 3.46Å; I38-W42 PolarHBondContact O-N 2.86Å; E39-W42 PolarHBondContact O-N 3.46Å; W42-S44 VanDerWaalsContact C-N 3.3Å; W42-S44 PolarHBondContact O-N 3.24Å; W42-I45 HydrophobicContact CE3-CB 4.45Å; W42-I45 HydrophobicContact CE3-CD1 3.81Å; W42-I45 HydrophobicContact CZ3-CD1 3.74Å; W42-I45 PolarHBondContact O-N 3.21Å; W42-S46 WeakPolarHBondContact O-CB 3.44Å; W42-S46 PolarHBondContact O-N 3.49Å; W42-S46 PolarHBondContact O-OG 3.11Å; W42-F174 AromaticContact CD2-CZ 3.85Å; W42-F174 HydrophobicContact CD2-CZ 3.85Å; W42-F174 AromaticContact CE2-CZ 3.88Å; W42-F174 HydrophobicContact CE3-CZ 4.27Å; W42-F174 HydrophobicContact CG-CZ 4.11Å; W42-F174 HydrophobicContact CZ2-CZ 4.31Å |
| 43 | F | 97.1 | Very high | 95 | Very high | 142 Ų | 142 | 70.5 Ų | 70.5 | 62% | 0.623 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -60 | -44.3 | 173.2 | 178.5 | -103.7 | 0 | 0 | 0 | 111 | E39 S46 K47 | E39-F43 VanDerWaalsContact O-CB 3.25Å; E39-F43 WeakPolarHBondContact O-CB 3.48Å; E39-F43 PolarHBondContact O-N 3.14Å; F43-S46 WeakPolarHBondContact O-CB 3.42Å; F43-S46 PolarHBondContact O-N 2.86Å; F43-K47 PolarHBondContact O-N 2.92Å |
| 44 | S | 96.4 | Very high | 94.2 | Very high | 6 Ų | 6 | 72.1 Ų | 72.1 | 4% | 0.042 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -67 | -38.9 | 178.9 | -58.8 | 0 | 0 | 0 | 0 | 112.5 | Q40 G41 W42 S46 K47 A48 S166 | Q40-S44 VanDerWaalsContact O-CB 3.28Å; Q40-S44 WeakPolarHBondContact O-CB 3.37Å; Q40-S44 PolarHBondContact O-N 3.26Å; Q40-S44 PolarHBondContact O-OG 3.38Å; G41-S44 PolarHBondContact O-N 3.23Å; W42-S44 VanDerWaalsContact C-N 3.3Å; W42-S44 PolarHBondContact O-N 3.24Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.38Å; S44-K47 PolarHBondContact O-N 3.01Å; S44-A48 PolarHBondContact O-N 3.29Å; S44-S166 WeakPolarHBondContact CB-O 3.5Å |
| 45 | I | 94.4 | Very high | 93.6 | Very high | 35 Ų | 35 | 79.3 Ų | 79.3 | 18% | 0.179 | 39% | 0.388 | C | S | . | . | H | α-helix | trans | -58.8 | -46.2 | 169.8 | -73 | -179.4 | 0 | 0 | 0 | 110.5 | G41 W42 K47 A48 R49 A170 F174 | G41-I45 WeakPolarHBondContact O-CG1 3.35Å; G41-I45 PolarHBondContact O-N 2.84Å; W42-I45 HydrophobicContact CE3-CB 4.45Å; W42-I45 HydrophobicContact CE3-CD1 3.81Å; W42-I45 HydrophobicContact CZ3-CD1 3.74Å; W42-I45 PolarHBondContact O-N 3.21Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.46Å; I45-A48 WeakPolarHBondContact O-CB 3.26Å; I45-A48 PolarHBondContact O-N 3.35Å; I45-R49 HydrophobicContact CG2-CG 4.42Å; I45-R49 WeakPolarHBondContact O-CG 3.44Å; I45-R49 PolarHBondContact O-N 3.31Å; I45-A170 HydrophobicContact CG1-CB 3.67Å; I45-F174 HydrophobicContact CD1-CD2 4.23Å; I45-F174 HydrophobicContact CD1-CE2 3.36Å; I45-F174 HydrophobicContact CD1-CZ 4.01Å; I45-F174 HydrophobicContact CG1-CE2 4Å |
| 46 | S | 94.8 | Very high | 92.9 | Very high | 70 Ų | 70 | 79.5 Ų | 79.5 | 49% | 0.49 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -61.6 | -42.7 | -179.5 | -59.2 | 0 | 0 | 0 | 0 | 111.3 | W42 F43 S44 R49 Y50 | W42-S46 WeakPolarHBondContact O-CB 3.44Å; W42-S46 PolarHBondContact O-N 3.49Å; W42-S46 PolarHBondContact O-OG 3.11Å; F43-S46 WeakPolarHBondContact O-CB 3.42Å; F43-S46 PolarHBondContact O-N 2.86Å; S44-S46 VanDerWaalsContact C-N 3.33Å; S44-S46 PolarHBondContact O-N 3.38Å; S46-R49 PolarHBondContact O-N 3.47Å; S46-Y50 WeakPolarHBondContact O-CB 3.46Å; S46-Y50 PolarHBondContact O-N 3.02Å |
| 47 | K | 94.8 | Very high | 92.4 | Very high | 94 Ų | 94 | 76.8 Ų | 76.8 | 41% | 0.409 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.3 | -42.3 | 173.7 | -171.9 | 173.7 | -178 | 176.6 | 0 | 112.1 | F43 S44 I45 Y50 S51 | F43-K47 PolarHBondContact O-N 2.92Å; S44-K47 PolarHBondContact O-N 3.01Å; I45-K47 VanDerWaalsContact C-N 3.33Å; I45-K47 PolarHBondContact O-N 3.46Å; K47-Y50 PolarHBondContact O-N 2.96Å; K47-S51 PolarHBondContact O-N 3.3Å; K47-S51 PolarHBondContact O-OG 2.78Å |
| 48 | A | 93.3 | Very high | 92 | Very high | 0 Ų | 0 | 77.5 Ų | 77.5 | 0% | 0 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -60.8 | -47.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | S44 I45 Y50 S51 M52 V57 P164 S166 L167 | S44-A48 PolarHBondContact O-N 3.29Å; I45-A48 WeakPolarHBondContact O-CB 3.26Å; I45-A48 PolarHBondContact O-N 3.35Å; A48-Y50 VanDerWaalsContact C-N 3.33Å; A48-Y50 PolarHBondContact O-N 2.96Å; A48-S51 PolarHBondContact O-N 2.96Å; A48-S51 PolarHBondContact O-OG 3.45Å; A48-M52 PolarHBondContact O-N 2.9Å; A48-V57 HydrophobicContact CB-CG2 4.31Å; A48-P164 HydrophobicContact CB-CG 4.11Å; A48-S166 VanDerWaalsContact CA-OG 3.31Å; A48-S166 WeakPolarHBondContact CA-OG 3.33Å; A48-S166 WeakPolarHBondContact CB-OG 3.49Å; A48-S166 PolarHBondContact N-OG 3.15Å; A48-L167 HydrophobicContact CB-CB 3.97Å; A48-L167 HydrophobicContact CB-CD1 4.14Å |
| 49 | R | 93.1 | Very high | 91.5 | Very high | 93 Ų | 93 | 78.3 Ų | 78.3 | 35% | 0.351 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.9 | -37.9 | 176.7 | -76.9 | -178.5 | 113.3 | -146.5 | -1 | 113.4 | I45 S46 G53 N54 V57 | I45-R49 HydrophobicContact CG2-CG 4.42Å; I45-R49 WeakPolarHBondContact O-CG 3.44Å; I45-R49 PolarHBondContact O-N 3.31Å; S46-R49 PolarHBondContact O-N 3.47Å; R49-G53 CarbonylContact O-C 3.15Å; R49-G53 WeakPolarHBondContact O-CA 3.37Å; R49-G53 PolarHBondContact O-N 2.68Å; R49-N54 PolarHBondContact NE-OD1 3.05Å; R49-N54 PolarHBondContact NH1-OD1 2.69Å; R49-N54 VanDerWaalsContact NH1-OD1 3.11Å; R49-N54 PolarHBondContact NH2-O 3.44Å; R49-N54 PolarHBondContact NH2-OD1 3.49Å; R49-V57 HydrophobicContact CG-CB 3.71Å; R49-V57 HydrophobicContact CG-CG1 4.07Å; R49-V57 HydrophobicContact CG-CG2 4.44Å; R49-V57 PolarHBondContact NE-O 3.05Å; R49-V57 VanDerWaalsContact NE-O 3.07Å |
| 50 | Y | 92.9 | Very high | 91 | Very high | 209 Ų | 209 | 80.4 Ų | 80.4 | 82% | 0.82 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -64 | -46 | 174.6 | 179.9 | -98.9 | 0 | 0 | 0 | 111.3 | S46 K47 A48 | S46-Y50 WeakPolarHBondContact O-CB 3.46Å; S46-Y50 PolarHBondContact O-N 3.02Å; K47-Y50 PolarHBondContact O-N 2.96Å; A48-Y50 VanDerWaalsContact C-N 3.33Å; A48-Y50 PolarHBondContact O-N 2.96Å |
| 51 | S | 90.9 | Very high | 90.5 | Very high | 73 Ų | 73 | 79 Ų | 79 | 51% | 0.51 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -73.4 | -42.7 | -177.2 | 65.9 | 0 | 0 | 0 | 0 | 114.6 | K47 A48 | K47-S51 PolarHBondContact O-N 3.3Å; K47-S51 PolarHBondContact O-OG 2.78Å; A48-S51 PolarHBondContact O-N 2.96Å; A48-S51 PolarHBondContact O-OG 3.45Å |
| 52 | M | 88.1 | Confident | 90.1 | Very high | 50 Ų | 50 | 83.8 Ų | 83.8 | 25% | 0.246 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -91.1 | -17.6 | -177.1 | -64 | 179.8 | 81.4 | 0 | 0 | 113.3 | A48 Q56 V57 F159 P164 | A48-M52 PolarHBondContact O-N 2.9Å; M52-Q56 HydrophobicContact CB-CB 3.96Å; M52-Q56 HydrophobicContact CE-CB 4.25Å; M52-Q56 VanDerWaalsContact O-CG 3.29Å; M52-Q56 WeakPolarHBondContact O-CG 3.44Å; M52-V57 HydrophobicContact CB-CG2 4.47Å; M52-V57 HydrophobicContact SD-CG2 3.65Å; M52-F159 HydrophobicContact CE-CB 4.45Å; M52-F159 WeakPolarHBondContact CE-O 3.35Å; M52-P164 HydrophobicContact CG-CG 3.74Å; M52-P164 WeakPolarHBondContact SD-CD 3.32Å; M52-P164 HydrophobicContact SD-CG 3.39Å; M52-P164 WeakPolarHBondContact SD-CG 3.48Å |
| 53 | G | 85.4 | Confident | 89.5 | Confident | 30 Ų | 30 | 77.7 Ų | 77.7 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | trans | 93.4 | 147.8 | -170.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | R49 K55 Q56 | R49-G53 CarbonylContact O-C 3.15Å; R49-G53 WeakPolarHBondContact O-CA 3.37Å; R49-G53 PolarHBondContact O-N 2.68Å; G53-K55 PolarHBondContact O-N 2.81Å; G53-K55 VanDerWaalsContact O-N 3.09Å; G53-Q56 PolarHBondContact O-N 2.69Å | ||
| 54 | N | 80.3 | Confident | 88.8 | Confident | 101 Ų | 101 | 79.1 Ų | 79.1 | 54% | 0.54 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.7 | -29.7 | -172.6 | -167.5 | 47.8 | 0 | 0 | 0 | 115 | R49 | R49-N54 PolarHBondContact NE-OD1 3.05Å; R49-N54 PolarHBondContact NH1-OD1 2.69Å; R49-N54 VanDerWaalsContact NH1-OD1 3.11Å; R49-N54 PolarHBondContact NH2-O 3.44Å; R49-N54 PolarHBondContact NH2-OD1 3.49Å |
| 55 | K | 84.3 | Confident | 88.1 | Confident | 181 Ų | 181 | 87 Ų | 87 | 79% | 0.787 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | -25 | -178.4 | -61.6 | -177.7 | -178.7 | -177.7 | 0 | 113 | G53 | G53-K55 PolarHBondContact O-N 2.81Å; G53-K55 VanDerWaalsContact O-N 3.09Å |
| 56 | Q | 83.9 | Confident | 87.5 | Confident | 89 Ų | 89 | 91.2 Ų | 91.2 | 42% | 0.416 | 47% | 0.467 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -30.3 | -173.9 | -64.3 | -65.3 | 18.7 | 0 | 0 | 112.9 | M52 G53 Q61 F159 | M52-Q56 HydrophobicContact CB-CB 3.96Å; M52-Q56 HydrophobicContact CE-CB 4.25Å; M52-Q56 VanDerWaalsContact O-CG 3.29Å; M52-Q56 WeakPolarHBondContact O-CG 3.44Å; G53-Q56 PolarHBondContact O-N 2.69Å; Q56-Q61 WeakPolarHBondContact O-CG 3.43Å; Q56-F159 VanDerWaalsContact O-CD1 3.29Å; Q56-F159 WeakPolarHBondContact O-CD1 3.34Å |
| 57 | V | 87.3 | Confident | 86.9 | Confident | 12 Ų | 12 | 93.8 Ų | 93.8 | 7% | 0.073 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -108.5 | 86.5 | 172.3 | -176.1 | 0 | 0 | 0 | 0 | 107.7 | A48 R49 M52 F159 L167 | A48-V57 HydrophobicContact CB-CG2 4.31Å; R49-V57 HydrophobicContact CG-CB 3.71Å; R49-V57 HydrophobicContact CG-CG1 4.07Å; R49-V57 HydrophobicContact CG-CG2 4.44Å; R49-V57 PolarHBondContact NE-O 3.05Å; R49-V57 VanDerWaalsContact NE-O 3.07Å; M52-V57 HydrophobicContact CB-CG2 4.47Å; M52-V57 HydrophobicContact SD-CG2 3.65Å; V57-F159 HydrophobicContact CG1-CE1 4.34Å; V57-L167 HydrophobicContact CG1-CD1 3.92Å; V57-L167 HydrophobicContact CG2-CD2 4.37Å |
| 58 | S | 88.1 | Confident | 86.4 | Confident | 37 Ų | 37 | 94 Ų | 94 | 26% | 0.259 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -150.3 | 157.3 | -176.6 | -176.4 | 0 | 0 | 0 | 0 | 110.4 | L60 Q61 | S58-L60 PolarHBondContact O-N 3.03Å; S58-L60 VanDerWaalsContact O-N 3.1Å; S58-Q61 PolarHBondContact O-N 3.36Å; S58-Q61 VanDerWaalsContact O-N 3.09Å |
| 59 | A | 87.9 | Confident | 85.9 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 53% | 0.529 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -59.7 | -19.9 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q61 F62 | A59-Q61 PolarHBondContact O-N 2.94Å; A59-F62 HydrophobicContact CB-CD2 4.01Å; A59-F62 HydrophobicContact CB-CE2 3.56Å; A59-F62 HydrophobicContact CB-CZ 3.99Å; A59-F62 VanDerWaalsContact O-CD2 3.29Å; A59-F62 WeakPolarHBondContact O-CD2 3.35Å; A59-F62 VanDerWaalsContact O-CG 3.27Å; A59-F62 WeakPolarHBondContact O-CG 3.38Å; A59-F62 PolarHBondContact O-N 3.43Å |
| 60 | L | 87.6 | Confident | 85.4 | Confident | 157 Ų | 157 | 93 Ų | 93 | 82% | 0.822 | 49% | 0.485 | S | S | * | . | G | 310 helix | trans | -64 | -18.4 | 175.1 | -63.2 | 177.1 | 0 | 0 | 0 | 113.7 | S58 | S58-L60 PolarHBondContact O-N 3.03Å; S58-L60 VanDerWaalsContact O-N 3.1Å |
| 61 | Q | 87.1 | Confident | 84.9 | Confident | 68 Ų | 68 | 84.9 Ų | 84.9 | 32% | 0.318 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -86.9 | -8.7 | 180 | -64.2 | -64.2 | -5.3 | 0 | 0 | 113.3 | Q56 S58 A59 W158 F159 | Q56-Q61 WeakPolarHBondContact O-CG 3.43Å; S58-Q61 PolarHBondContact O-N 3.36Å; S58-Q61 VanDerWaalsContact O-N 3.09Å; A59-Q61 PolarHBondContact O-N 2.94Å; Q61-W158 WeakPolarHBondContact O-CB 3.38Å; Q61-F159 HydrophobicContact CB-CD1 3.86Å; Q61-F159 HydrophobicContact CB-CE1 4.03Å; Q61-F159 HydrophobicContact CG-CD1 4.15Å |
| 62 | F | 88.4 | Confident | 84.5 | Confident | 101 Ų | 101 | 84.7 Ų | 84.7 | 44% | 0.443 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -62 | 144.4 | -179.1 | -59 | -21 | 0 | 0 | 0 | 111.3 | A59 W158 F159 | A59-F62 HydrophobicContact CB-CD2 4.01Å; A59-F62 HydrophobicContact CB-CE2 3.56Å; A59-F62 HydrophobicContact CB-CZ 3.99Å; A59-F62 VanDerWaalsContact O-CD2 3.29Å; A59-F62 WeakPolarHBondContact O-CD2 3.35Å; A59-F62 VanDerWaalsContact O-CG 3.27Å; A59-F62 WeakPolarHBondContact O-CG 3.38Å; A59-F62 PolarHBondContact O-N 3.43Å; F62-W158 HydrophobicContact CB-CE3 4.44Å; F62-W158 AromaticContact CD1-CE3 3.98Å; F62-W158 HydrophobicContact CD1-CE3 3.98Å; F62-W158 HydrophobicContact CD1-CZ3 4.31Å; F62-F159 HydrophobicContact CD1-CZ 4.35Å; F62-F159 HydrophobicContact CE1-CE1 4.42Å; F62-F159 AromaticContact CE1-CZ 3.92Å; F62-F159 HydrophobicContact CE1-CZ 3.92Å |
| 63 | A | 84.3 | Confident | 84.3 | Confident | 19 Ų | 19 | 86 Ų | 86 | 16% | 0.157 | 46% | 0.46 | C | S | . | . | trans | -69.1 | 149.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | E65 W158 | A63-E65 PolarHBondContact O-N 3.39Å; A63-W158 HydrophobicContact CB-CD2 4.34Å; A63-W158 HydrophobicContact CB-CZ2 4.09Å | ||
| 64 | N | 82.1 | Confident | 84.2 | Confident | 172 Ų | 172 | 88.8 Ų | 88.8 | 92% | 0.92 | 47% | 0.47 | S | S | * | . | S | Bend | trans | -61.9 | -28.8 | 176.1 | -70.6 | -6.7 | 0 | 0 | 0 | 112.7 | ||
| 65 | E | 82.2 | Confident | 84.2 | Confident | 172 Ų | 172 | 91.2 Ų | 91.2 | 80% | 0.804 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -115.6 | 100.8 | 175.1 | -65.4 | 177.7 | -171.7 | 0 | 0 | 108 | A63 | A63-E65 PolarHBondContact O-N 3.39Š|
| 66 | M | 81.8 | Confident | 83.8 | Confident | 123 Ų | 123 | 88.1 Ų | 88.1 | 61% | 0.606 | 47% | 0.468 | S | S | * | . | trans | -109.2 | 124.7 | 177.1 | 168.8 | 168.1 | 79.8 | 0 | 0 | 110 | W158 | M66-W158 HydrophobicContact CB-CH2 3.99Å; M66-W158 HydrophobicContact CB-CZ2 4.47Å; M66-W158 HydrophobicContact CG-CH2 3.62Å; M66-W158 HydrophobicContact CG-CZ2 4.45Å; M66-W158 HydrophobicContact CG-CZ3 4.36Å; M66-W158 HydrophobicContact SD-CH2 3.67Å; M66-W158 HydrophobicContact SD-CZ3 3.8Å | ||
| 67 | E | 82.3 | Confident | 83.4 | Confident | 125 Ų | 125 | 88.8 Ų | 88.8 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | trans | -101.2 | 137.3 | 170.3 | -65.9 | -176.1 | 165.7 | 0 | 0 | 109.8 | L69 | E67-L69 PolarHBondContact O-N 3.44Š| ||
| 68 | P | 83.9 | Confident | 82.3 | Confident | 97 Ų | 97 | 97.5 Ų | 97.5 | 63% | 0.63 | 51% | 0.514 | S | S | * | . | trans | -71.6 | 122.8 | 177.9 | 28.7 | -33.1 | 0 | 0 | 0 | 110.6 | V70 | P68-V70 VanDerWaalsContact C-N 3.34Š| ||
| 69 | L | 82.9 | Confident | 81.1 | Confident | 39 Ų | 39 | 102.3 Ų | 102.3 | 20% | 0.204 | 54% | 0.537 | C | S | . | . | S | Bend | trans | -72.4 | -32.4 | 176.5 | -78.7 | 75.9 | 0 | 0 | 0 | 112.1 | E67 S89 P155 | E67-L69 PolarHBondContact O-N 3.44Å; L69-S89 WeakPolarHBondContact CA-OG 3.49Å; L69-S89 PolarHBondContact O-N 3.37Å; L69-S89 PolarHBondContact O-OG 3.19Å; L69-P155 HydrophobicContact CD1-CG 3.39Å; L69-P155 HydrophobicContact CD2-CG 4.12Å; L69-P155 HydrophobicContact CG-CG 4.43Å |
| 70 | V | 81.5 | Confident | 79.9 | Confident | 34 Ų | 34 | 106.3 Ų | 106.3 | 21% | 0.206 | 55% | 0.549 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126.5 | -179.3 | -175.5 | 0 | 0 | 0 | 0 | 108.1 | P68 R88 I178 | P68-V70 VanDerWaalsContact C-N 3.34Å; V70-R88 HydrophobicContact CG2-CG 4.48Å; V70-I178 HydrophobicContact CG1-CG2 3.88Å |
| 71 | S | 82.9 | Confident | 78.7 | Confident | 38 Ų | 38 | 104.3 Ų | 104.3 | 27% | 0.266 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.4 | 176.7 | 51.1 | 0 | 0 | 0 | 0 | 109.7 | H73 E87 | S71-H73 PolarHBondContact OG-CE1 3.14Å; S71-H73 VanDerWaalsContact OG-CE1 3.23Å; S71-E87 PolarHBondContact N-O 3.41Å; S71-E87 PolarHBondContact O-N 3.32Å; S71-E87 PolarHBondContact OG-O 3.27Å |
| 72 | V | 83.2 | Confident | 77.8 | Confident | 69 Ų | 69 | 102.9 Ų | 102.9 | 42% | 0.418 | 53% | 0.53 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 122.7 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 108.5 | F84 C85 I178 A182 | V72-F84 HydrophobicContact CG1-CB 4.38Å; V72-F84 HydrophobicContact CG1-CD1 4.25Å; V72-C85 WeakPolarHBondContact CA-O 3.26Å; V72-I178 HydrophobicContact CG2-CG2 4.19Å; V72-A182 HydrophobicContact CG1-CB 4.09Å; V72-A182 HydrophobicContact CG2-CB 4.39Å |
| 73 | H | 82.5 | Confident | 77 | Confident | 78 Ų | 78 | 103.4 Ų | 103.4 | 36% | 0.361 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 142.8 | 176.8 | -62.6 | 102.4 | 0 | 0 | 0 | 110.1 | S71 F84 C85 E87 | S71-H73 PolarHBondContact OG-CE1 3.14Å; S71-H73 VanDerWaalsContact OG-CE1 3.23Å; H73-F84 WeakPolarHBondContact O-CA 3.38Å; H73-C85 PolarHBondContact N-O 3.23Å; H73-C85 PolarHBondContact O-N 3.3Å; H73-E87 IonicContact CE1-OE2 2.81Å; H73-E87 PolarHBondContact CE1-OE2 3.28Å; H73-E87 VanDerWaalsContact CE1-OE2 3.3Å; H73-E87 IonicContact ND1-OE2 2.69Å; H73-E87 PolarHBondContact ND1-OE2 3.03Å |
| 74 | V | 83.4 | Confident | 76.6 | Confident | 88 Ų | 88 | 105.1 Ų | 105.1 | 53% | 0.533 | 54% | 0.538 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 125.3 | 173.5 | -172.8 | 0 | 0 | 0 | 0 | 107.9 | V82 F84 | V74-V82 HydrophobicContact CG1-CG1 3.39Å; V74-F84 HydrophobicContact CG1-CE1 4.41Å; V74-F84 HydrophobicContact CG2-CD1 3.69Å; V74-F84 HydrophobicContact CG2-CE1 3.6Å |
| 75 | R | 80.5 | Confident | 75.9 | Confident | 152 Ų | 152 | 98.7 Ų | 98.7 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 129.3 | 173.6 | -64.4 | -177 | -179 | -178.4 | 2.2 | 109 | E83 | R75-E83 PolarHBondContact N-O 3.17Å; R75-E83 PolarHBondContact O-N 3.1Å |
| 76 | T | 76.7 | Confident | 75.5 | Confident | 116 Ų | 116 | 92.4 Ų | 92.4 | 71% | 0.712 | 48% | 0.484 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.1 | 170.3 | 47.9 | 0 | 0 | 0 | 0 | 108.3 | V82 | T76-V82 HydrophobicContact CG2-CG2 4.43Å |
| 77 | L | 74.2 | Confident | 75.1 | Confident | 104 Ų | 104 | 91.5 Ų | 91.5 | 55% | 0.545 | 48% | 0.478 | S | S | . | . | trans | -83.6 | 160.3 | 175.1 | -169.2 | 60.4 | 0 | 0 | 0 | 110.2 | N79 D80 K81 | L77-N79 PolarHBondContact O-N 2.73Å; L77-D80 PolarHBondContact O-N 2.88Å; L77-K81 WeakPolarHBondContact CB-O 3.41Å; L77-K81 PolarHBondContact N-O 3.3Å | ||
| 78 | Q | 65.6 | Low | 74.6 | Confident | 194 Ų | 194 | 93.1 Ų | 93.1 | 91% | 0.907 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | -14.6 | -177.8 | -65.5 | 179.4 | -4 | 0 | 0 | 115 | ||
| 79 | N | 62.1 | Low | 73.6 | Confident | 139 Ų | 139 | 91 Ų | 91 | 74% | 0.743 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.1 | 24.2 | 177.7 | -72.6 | 19.4 | 0 | 0 | 0 | 113.6 | L77 K81 | L77-N79 PolarHBondContact O-N 2.73Å; N79-K81 PolarHBondContact O-N 3.24Å |
| 80 | D | 62.2 | Low | 72 | Confident | 147 Ų | 147 | 94.8 Ų | 94.8 | 79% | 0.786 | 50% | 0.496 | S | S | * | . | S | Bend | trans | 58.9 | 15.8 | -176 | -127.8 | 15.3 | 0 | 0 | 0 | 113.5 | L77 | L77-D80 PolarHBondContact O-N 2.88Š|
| 81 | K | 63.3 | Low | 70.4 | Confident | 115 Ų | 115 | 95.8 Ų | 95.8 | 50% | 0.5 | 50% | 0.498 | S | S | . | . | trans | -87.8 | 121.1 | 177.9 | -165.5 | 174 | -177.5 | -177.5 | 0 | 108.2 | L77 N79 | L77-K81 WeakPolarHBondContact CB-O 3.41Å; L77-K81 PolarHBondContact N-O 3.3Å; N79-K81 PolarHBondContact O-N 3.24Å | ||
| 82 | V | 68.4 | Low | 68.2 | Low | 38 Ų | 38 | 102.6 Ų | 102.6 | 23% | 0.23 | 52% | 0.523 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.4 | 177.9 | -178.5 | 0 | 0 | 0 | 0 | 108.9 | V74 T76 F84 I189 | V74-V82 HydrophobicContact CG1-CG1 3.39Å; T76-V82 HydrophobicContact CG2-CG2 4.43Å; V82-F84 HydrophobicContact CG1-CE2 4.27Å; V82-F84 HydrophobicContact CG1-CZ 4.36Å; V82-I189 HydrophobicContact CB-CD1 3.59Å; V82-I189 HydrophobicContact CB-CG2 4.48Å; V82-I189 HydrophobicContact CG1-CD1 3.72Å; V82-I189 HydrophobicContact CG2-CD1 4.26Å |
| 83 | E | 70.6 | Confident | 65.7 | Low | 112 Ų | 112 | 103.8 Ų | 103.8 | 52% | 0.523 | 53% | 0.534 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 130.7 | 176 | -169.4 | 173.2 | -145.1 | 0 | 0 | 109.5 | R75 | R75-E83 PolarHBondContact N-O 3.17Å; R75-E83 PolarHBondContact O-N 3.1Å |
| 84 | F | 76.2 | Confident | 63.3 | Low | 55 Ų | 55 | 107.5 Ų | 107.5 | 24% | 0.241 | 56% | 0.556 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.5 | 122.2 | 173.1 | -64.6 | -88.6 | 0 | 0 | 0 | 108.9 | V72 H73 V74 V82 A182 A185 A186 I189 | V72-F84 HydrophobicContact CG1-CB 4.38Å; V72-F84 HydrophobicContact CG1-CD1 4.25Å; H73-F84 WeakPolarHBondContact O-CA 3.38Å; V74-F84 HydrophobicContact CG1-CE1 4.41Å; V74-F84 HydrophobicContact CG2-CD1 3.69Å; V74-F84 HydrophobicContact CG2-CE1 3.6Å; V82-F84 HydrophobicContact CG1-CE2 4.27Å; V82-F84 HydrophobicContact CG1-CZ 4.36Å; F84-A182 HydrophobicContact CB-CB 4.11Å; F84-A185 HydrophobicContact CD1-CB 4.48Å; F84-A185 HydrophobicContact CD2-CB 3.71Å; F84-A185 HydrophobicContact CE1-CB 4.41Å; F84-A185 HydrophobicContact CE2-CB 3.57Å; F84-A185 HydrophobicContact CG-CB 4.16Å; F84-A185 HydrophobicContact CZ-CB 3.97Å; F84-A186 HydrophobicContact CD2-CB 4Å; F84-I189 HydrophobicContact CD2-CD1 4.44Å; F84-I189 HydrophobicContact CE2-CD1 3.41Å; F84-I189 VanDerWaalsContact CE2-CD1 3.41Å; F84-I189 HydrophobicContact CE2-CG1 4.26Å; F84-I189 HydrophobicContact CZ-CD1 3.92Å |
| 85 | C | 67.3 | Low | 61.1 | Low | 37 Ų | 37 | 109.6 Ų | 109.6 | 25% | 0.25 | 56% | 0.564 | C | S | . | * | E | Extended strand (participates in β ladder) | trans | -113.7 | 120.1 | 176.5 | -59.3 | 0 | 0 | 0 | 0 | 109.5 | V72 H73 E87 | V72-C85 WeakPolarHBondContact CA-O 3.26Å; H73-C85 PolarHBondContact N-O 3.23Å; H73-C85 PolarHBondContact O-N 3.3Å; C85-E87 PolarHBondContact O-N 2.85Å |
| 86 | A | 73.3 | Confident | 59.2 | Low | 41 Ų | 41 | 110.8 Ų | 110.8 | 34% | 0.339 | 58% | 0.577 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -80.6 | 114.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | E179 A182 | A86-E179 HydrophobicContact CB-CG 4.07Å; A86-A182 HydrophobicContact CB-CB 4.42Å |
| 87 | E | 74.3 | Confident | 57.2 | Low | 104 Ų | 104 | 112.8 Ų | 112.8 | 49% | 0.486 | 58% | 0.576 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -102.5 | 127.7 | 173.6 | -172.8 | 169.8 | -170 | 0 | 0 | 109.3 | S71 H73 C85 | S71-E87 PolarHBondContact N-O 3.41Å; S71-E87 PolarHBondContact O-N 3.32Å; S71-E87 PolarHBondContact OG-O 3.27Å; H73-E87 IonicContact CE1-OE2 2.81Å; H73-E87 PolarHBondContact CE1-OE2 3.28Å; H73-E87 VanDerWaalsContact CE1-OE2 3.3Å; H73-E87 IonicContact ND1-OE2 2.69Å; H73-E87 PolarHBondContact ND1-OE2 3.03Å; C85-E87 PolarHBondContact O-N 2.85Å |
| 88 | R | 71.7 | Confident | 55.6 | Low | 158 Ų | 158 | 113.6 Ų | 113.6 | 60% | 0.596 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.7 | 170.8 | -63.9 | -179.1 | -178.1 | 161.3 | 1 | 107.6 | V70 S90 E179 | V70-R88 HydrophobicContact CG2-CG 4.48Å; R88-S90 PolarHBondContact O-N 3.33Å; R88-E179 IonicContact CZ-OE1 3.3Å; R88-E179 IonicContact CZ-OE2 3.43Å; R88-E179 IonicContact NE-OE1 2.68Å; R88-E179 PolarHBondContact NE-OE1 3.04Å; R88-E179 IonicContact NH2-OE1 3.06Å; R88-E179 PolarHBondContact NH2-OE1 2.83Å; R88-E179 IonicContact NH2-OE2 3.85Å; R88-E179 PolarHBondContact NH2-OE2 2.91Å |
| 89 | S | 63.7 | Low | 54.2 | Low | 52 Ų | 52 | 112.5 Ų | 112.5 | 36% | 0.364 | 58% | 0.577 | S | S | . | * | P | Polyproline II helix | trans | -57.4 | 124.8 | 166.3 | 61 | 0 | 0 | 0 | 0 | 107.9 | L69 Q91 | L69-S89 WeakPolarHBondContact CA-OG 3.49Å; L69-S89 PolarHBondContact O-N 3.37Å; L69-S89 PolarHBondContact O-OG 3.19Å; S89-Q91 PolarHBondContact O-N 2.9Å |
| 90 | S | 48.6 | Very low | 52.8 | Low | 120 Ų | 120 | 114 Ų | 114 | 84% | 0.839 | 58% | 0.58 | S | S | * | * | trans | -75.2 | 66.9 | -178 | 75.2 | 0 | 0 | 0 | 0 | 110.3 | R88 K92 | R88-S90 PolarHBondContact O-N 3.33Å; S90-K92 PolarHBondContact O-N 2.8Å | ||
| 91 | Q | 48 | Very low | 51.8 | Low | 54 Ų | 54 | 113 Ų | 113 | 25% | 0.252 | 58% | 0.58 | S | S | . | * | trans | -74.1 | 113.4 | 162.6 | -153.6 | 122.5 | 24.9 | 0 | 0 | 106.1 | S89 C93 Q153 | S89-Q91 PolarHBondContact O-N 2.9Å; Q91-C93 PolarHBondContact O-N 3.48Å; Q91-Q153 VanDerWaalsContact NE2-CB 3.35Å | ||
| 92 | K | 36.7 | Very low | 50.5 | Low | 182 Ų | 182 | 113 Ų | 113 | 79% | 0.791 | 59% | 0.59 | S | S | * | * | trans | -62.3 | 90.8 | 171.4 | -69.8 | -177.9 | 179.2 | -177.9 | 0 | 108 | S90 N94 | S90-K92 PolarHBondContact O-N 2.8Å; K92-N94 PolarHBondContact O-N 3.12Å | ||
| 93 | C | 31.3 | Very low | 49.4 | Very low | 94 Ų | 94 | 116.9 Ų | 116.9 | 64% | 0.635 | 62% | 0.616 | S | S | * | * | trans | -63.4 | 119.2 | 155.6 | -69.7 | 0 | 0 | 0 | 0 | 105.6 | Q91 D95 | Q91-C93 PolarHBondContact O-N 3.48Å; C93-D95 PolarHBondContact O-N 3.18Å | ||
| 94 | N | 30.5 | Very low | 48.7 | Very low | 155 Ų | 155 | 119.2 Ų | 119.2 | 83% | 0.829 | 63% | 0.631 | S | S | * | * | trans | -57.1 | 112.3 | 165.5 | -81.3 | -45.4 | 0 | 0 | 0 | 107 | K92 E96 | K92-N94 PolarHBondContact O-N 3.12Å; N94-E96 PolarHBondContact O-N 3.42Å; N94-E96 VanDerWaalsContact O-N 3.12Å | ||
| 95 | D | 38 | Very low | 47.3 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 71% | 0.711 | 65% | 0.653 | S | S | * | * | trans | -74.2 | 93.6 | 177.3 | -162.4 | 11.3 | 0 | 0 | 0 | 107.2 | C93 | C93-D95 PolarHBondContact O-N 3.18Š| ||
| 96 | E | 40.2 | Very low | 46.2 | Very low | 177 Ų | 177 | 130.9 Ų | 130.9 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | trans | -111.7 | 108.9 | 156.7 | -79 | -163 | 152.4 | 0 | 0 | 108.7 | N94 | N94-E96 PolarHBondContact O-N 3.42Å; N94-E96 VanDerWaalsContact O-N 3.12Å | ||
| 97 | F | 35.3 | Very low | 45.1 | Very low | 158 Ų | 158 | 135.2 Ų | 135.2 | 69% | 0.693 | 70% | 0.698 | S | S | * | * | trans | 86.1 | 79.3 | 163.2 | -84.5 | -101 | 0 | 0 | 0 | 118.7 | K99 | F97-K99 HydrophobicContact CD1-CD 4.19Å; F97-K99 HydrophobicContact CD1-CG 4.05Å; F97-K99 HydrophobicContact CE1-CD 3.97Å; F97-K99 HydrophobicContact CE1-CG 4.21Å; F97-K99 PolarHBondContact O-N 3.02Å | ||
| 98 | V | 40.3 | Very low | 43.7 | Very low | 121 Ų | 121 | 132.1 Ų | 132.1 | 73% | 0.733 | 69% | 0.694 | S | S | * | * | trans | -69.8 | 106.8 | 131 | 178.6 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 99 | K | 36.4 | Very low | 42.4 | Very low | 171 Ų | 171 | 130.7 Ų | 130.7 | 74% | 0.743 | 71% | 0.706 | S | S | * | * | trans | -120.3 | 128.4 | 139.8 | -83.7 | -175.5 | 177.3 | 178.5 | 0 | 107.1 | F97 | F97-K99 HydrophobicContact CD1-CD 4.19Å; F97-K99 HydrophobicContact CD1-CG 4.05Å; F97-K99 HydrophobicContact CE1-CD 3.97Å; F97-K99 HydrophobicContact CE1-CG 4.21Å; F97-K99 PolarHBondContact O-N 3.02Å | ||
| 100 | E | 32.9 | Very low | 41.8 | Very low | 171 Ų | 171 | 136.7 Ų | 136.7 | 80% | 0.799 | 73% | 0.728 | S | S | * | * | trans | -13.9 | 140.9 | 165 | -140.6 | 164 | -164.9 | 0 | 0 | 116 | T102 | E100-T102 PolarHBondContact O-N 3.18Š| ||
| 101 | P | 41 | Very low | 41.9 | Very low | 124 Ų | 124 | 140.3 Ų | 140.3 | 81% | 0.805 | 73% | 0.731 | S | S | * | * | trans | -67.1 | 101.5 | 179.8 | 28.9 | -33.4 | 0 | 0 | 0 | 109.9 | ||||
| 102 | T | 35.5 | Very low | 41.7 | Very low | 116 Ų | 116 | 146 Ų | 146 | 71% | 0.712 | 76% | 0.758 | S | S | * | * | trans | -56.8 | 135.2 | 159.9 | 48.5 | 0 | 0 | 0 | 0 | 108.3 | E100 I104 | E100-T102 PolarHBondContact O-N 3.18Å; T102-I104 PolarHBondContact O-N 3.34Å | ||
| 103 | P | 46.5 | Very low | 42 | Very low | 119 Ų | 119 | 140.7 Ų | 140.7 | 77% | 0.773 | 76% | 0.755 | S | S | * | * | trans | -58.9 | 135.3 | -178.4 | 25.7 | -32.6 | 0 | 0 | 0 | 109.3 | E105 | P103-E105 PolarHBondContact O-N 2.93Š| ||
| 104 | I | 54.4 | Low | 43 | Very low | 162 Ų | 162 | 144.2 Ų | 144.2 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -31.1 | 104.3 | -178.5 | -59.9 | 153.1 | 0 | 0 | 0 | 111.4 | T102 H106 | T102-I104 PolarHBondContact O-N 3.34Å; I104-H106 PolarHBondContact O-N 3.01Å | ||
| 105 | E | 47.1 | Very low | 44.5 | Very low | 152 Ų | 152 | 148.7 Ų | 148.7 | 71% | 0.71 | 77% | 0.771 | S | S | * | * | trans | -63.6 | 121.7 | 165.3 | -72.6 | -173.1 | 173.4 | 0 | 0 | 108.1 | P103 I107 | P103-E105 PolarHBondContact O-N 2.93Å; E105-I107 HydrophobicContact CB-CD1 4.46Å; E105-I107 HydrophobicContact CB-CG1 4.11Å; E105-I107 PolarHBondContact O-N 3.37Å | ||
| 106 | H | 44.8 | Very low | 44.8 | Very low | 184 Ų | 184 | 153.5 Ų | 153.5 | 85% | 0.852 | 78% | 0.779 | S | S | * | * | trans | -72.5 | 72.1 | 178.9 | -144.5 | -82.2 | 0 | 0 | 0 | 109.5 | I104 G108 | I104-H106 PolarHBondContact O-N 3.01Å; H106-G108 PolarHBondContact O-N 3.16Å | ||
| 107 | I | 50.9 | Low | 45.5 | Very low | 132 Ų | 132 | 155.8 Ų | 155.8 | 68% | 0.677 | 78% | 0.78 | S | S | * | * | trans | -80.6 | 75.4 | 176.6 | -52.6 | 169.8 | 0 | 0 | 0 | 108.4 | E105 | E105-I107 HydrophobicContact CB-CD1 4.46Å; E105-I107 HydrophobicContact CB-CG1 4.11Å; E105-I107 PolarHBondContact O-N 3.37Å | ||
| 108 | G | 44.9 | Very low | 45.8 | Very low | 39 Ų | 39 | 157.9 Ų | 157.9 | 40% | 0.402 | 79% | 0.789 | S | S | . | * | S | Bend | trans | -106.3 | 151.9 | 150.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | H106 Q110 | H106-G108 PolarHBondContact O-N 3.16Å; G108-Q110 PolarHBondContact O-N 3.35Å |
| 109 | P | 44.3 | Very low | 45.6 | Very low | 129 Ų | 129 | 157.4 Ų | 157.4 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -61 | 113.6 | 172 | -9 | 22.9 | 0 | 0 | 0 | 107.8 | E111 | P109-E111 PolarHBondContact O-N 3.19Š| ||
| 110 | Q | 49.2 | Very low | 45.4 | Very low | 178 Ų | 178 | 156.3 Ų | 156.3 | 83% | 0.832 | 79% | 0.794 | S | S | * | * | trans | -66 | 117.8 | 156.8 | -81.1 | -171.2 | -26.3 | 0 | 0 | 105.9 | G108 E112 | G108-Q110 PolarHBondContact O-N 3.35Å; Q110-E112 PolarHBondContact O-N 3.11Å | ||
| 111 | E | 52.7 | Low | 45.5 | Very low | 195 Ų | 195 | 157.6 Ų | 157.6 | 91% | 0.911 | 80% | 0.797 | S | S | * | * | trans | -61.9 | 82.7 | 174.2 | -78.4 | -172.5 | 138.1 | 0 | 0 | 110 | P109 | P109-E111 PolarHBondContact O-N 3.19Š| ||
| 112 | E | 42.8 | Very low | 44.9 | Very low | 175 Ų | 175 | 157.3 Ų | 157.3 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -128.3 | 100.1 | 162.5 | -82.1 | -172.9 | 161.2 | 0 | 0 | 109.8 | Q110 | Q110-E112 PolarHBondContact O-N 3.11Š| ||
| 113 | G | 43.8 | Very low | 44.6 | Very low | 70 Ų | 70 | 158.6 Ų | 158.6 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | 83.1 | 101.6 | 143.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | R115 | G113-R115 PolarHBondContact O-N 3.33Š| ||
| 114 | I | 52.5 | Low | 43.7 | Very low | 168 Ų | 168 | 159.3 Ų | 159.3 | 86% | 0.862 | 80% | 0.803 | S | S | * | * | trans | -48.9 | 107.7 | 159.3 | -60.5 | 157.4 | 0 | 0 | 0 | 109.8 | ||||
| 115 | R | 60.7 | Low | 42.4 | Very low | 248 Ų | 248 | 156.1 Ų | 156.1 | 94% | 0.936 | 80% | 0.801 | S | S | * | * | trans | -97.7 | 111.3 | 165.7 | -90.2 | -172.8 | 169.7 | -152.2 | -0.4 | 110.9 | G113 | G113-R115 PolarHBondContact O-N 3.33Š| ||
| 116 | R | 45.1 | Very low | 41.5 | Very low | 234 Ų | 234 | 157.6 Ų | 157.6 | 88% | 0.883 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 132.6 | 175.8 | -67.1 | 177.1 | 167.4 | 173.8 | -4.3 | 111.3 | K118 | R116-K118 PolarHBondContact O-N 3.48Š|
| 117 | R | 53.8 | Low | 40.8 | Very low | 225 Ų | 225 | 158.3 Ų | 158.3 | 85% | 0.849 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 117.7 | 171.3 | -170.3 | 173 | 95 | 174.3 | 7 | 110.2 | ||
| 118 | K | 42.1 | Very low | 39.7 | Very low | 203 Ų | 203 | 160.5 Ų | 160.5 | 88% | 0.883 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -80.1 | 127 | 159.5 | -93.4 | -171 | 174.3 | -177.2 | 0 | 108.8 | R116 | R116-K118 PolarHBondContact O-N 3.48Š|
| 119 | T | 36.2 | Very low | 38.6 | Very low | 110 Ų | 110 | 164.9 Ų | 164.9 | 68% | 0.675 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 144.5 | 170.4 | 44.3 | 0 | 0 | 0 | 0 | 110.4 | ||
| 120 | T | 33.1 | Very low | 38 | Very low | 148 Ų | 148 | 164.2 Ų | 164.2 | 91% | 0.908 | 83% | 0.83 | S | S | * | * | trans | -167 | 139.1 | 139.6 | 19.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 121 | K | 34.9 | Very low | 36.9 | Very low | 198 Ų | 198 | 164.7 Ų | 164.7 | 86% | 0.861 | 83% | 0.833 | S | S | * | * | trans | -88.7 | 155.3 | -173.1 | -58.7 | 168.7 | 172.4 | -179.1 | 0 | 110.4 | ||||
| 122 | S | 28.2 | Very low | 35.6 | Very low | 118 Ų | 118 | 163 Ų | 163 | 83% | 0.825 | 83% | 0.83 | S | S | * | * | trans | -165 | 133 | 132.4 | 56.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 123 | D | 27.9 | Very low | 34.8 | Very low | 144 Ų | 144 | 161.9 Ų | 161.9 | 77% | 0.77 | 83% | 0.828 | S | S | * | * | trans | -64.6 | 165.3 | -176.7 | -57.4 | -69 | 0 | 0 | 0 | 114.9 | ||||
| 124 | T | 27.6 | Very low | 34.4 | Very low | 133 Ų | 133 | 164.1 Ų | 164.1 | 82% | 0.816 | 83% | 0.832 | S | S | * | * | 152.3 | 129.9 | 103.1 | -57.9 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 125 | A | 28.1 | Very low | 33.4 | Very low | 96 Ų | 96 | 161.2 Ų | 161.2 | 79% | 0.793 | 83% | 0.827 | S | S | * | * | trans | 95.1 | 122.4 | 143.1 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 126 | E | 27.8 | Very low | 32 | Very low | 183 Ų | 183 | 158.7 Ų | 158.7 | 86% | 0.855 | 83% | 0.826 | S | S | * | * | trans | -83.7 | 155.1 | 171.9 | -51.9 | 169.5 | 153 | 0 | 0 | 113.2 | ||||
| 127 | K | 29.6 | Very low | 31.3 | Very low | 198 Ų | 198 | 157 Ų | 157 | 86% | 0.861 | 83% | 0.825 | S | S | * | * | trans | -178.9 | 106.6 | 141.6 | -115.8 | 175.8 | 169.1 | 179.3 | 0 | 109.4 | ||||
| 128 | K | 28 | Very low | 30.1 | Very low | 179 Ų | 179 | 151.2 Ų | 151.2 | 78% | 0.778 | 82% | 0.819 | S | S | * | * | 68.5 | 107.9 | 88 | -72.6 | -160.8 | 179.5 | -173 | 0 | 117.1 | |||||
| 129 | T | 22.6 | Very low | 30.5 | Very low | 130 Ų | 130 | 147 Ų | 147 | 80% | 0.798 | 81% | 0.813 | S | S | * | * | 54.9 | 123.5 | 128.8 | 57.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 130 | S | 32.2 | Very low | 30.2 | Very low | 115 Ų | 115 | 151.4 Ų | 151.4 | 80% | 0.804 | 83% | 0.825 | S | S | * | * | -175.6 | 111 | 129.1 | 28.6 | 0 | 0 | 0 | 0 | 106.2 | |||||
| 131 | E | 25.3 | Very low | 30.6 | Very low | 189 Ų | 189 | 150.3 Ų | 150.3 | 88% | 0.883 | 82% | 0.818 | S | S | * | * | 42.8 | 96.1 | 80.2 | -72.8 | -172.8 | -173.1 | 0 | 0 | 113.1 | |||||
| 132 | D | 24.9 | Very low | 30.8 | Very low | 158 Ų | 158 | 148.2 Ų | 148.2 | 85% | 0.845 | 82% | 0.816 | S | S | * | * | trans | -165.5 | 161.8 | 134.2 | -129.3 | -29 | 0 | 0 | 0 | 112.9 | ||||
| 133 | I | 27.3 | Very low | 31.9 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 78% | 0.779 | 81% | 0.814 | S | S | * | * | trans | 96.9 | 78.5 | 172.4 | -46 | 162.2 | 0 | 0 | 0 | 115.4 | ||||
| 134 | S | 33.8 | Very low | 32.5 | Very low | 117 Ų | 117 | 144.8 Ų | 144.8 | 82% | 0.818 | 81% | 0.812 | S | S | * | * | trans | -68.4 | 131.2 | 138.2 | 60.7 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 135 | S | 31.9 | Very low | 33 | Very low | 107 Ų | 107 | 149.9 Ų | 149.9 | 75% | 0.748 | 82% | 0.817 | S | S | * | * | trans | -168.1 | 93.1 | 150.6 | 169.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 136 | E | 31.1 | Very low | 33.6 | Very low | 195 Ų | 195 | 153.9 Ų | 153.9 | 91% | 0.911 | 82% | 0.816 | S | S | * | * | trans | -71.1 | 120.1 | 162.7 | -176.1 | 173 | -161.5 | 0 | 0 | 109.9 | ||||
| 137 | K | 30.4 | Very low | 34.5 | Very low | 199 Ų | 199 | 155.7 Ų | 155.7 | 87% | 0.865 | 82% | 0.815 | S | S | * | * | trans | -165.8 | 116 | 146.4 | -134.7 | 170.3 | 179.6 | 177.7 | 0 | 112.2 | ||||
| 138 | S | 29.5 | Very low | 35.1 | Very low | 103 Ų | 103 | 152.9 Ų | 152.9 | 72% | 0.72 | 81% | 0.809 | S | S | * | * | trans | -91.1 | -177.1 | 156 | 58.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 139 | P | 49.2 | Very low | 36.2 | Very low | 116 Ų | 116 | 150.1 Ų | 150.1 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | cis | -123.9 | 156 | -40.7 | 30.4 | -14.6 | 0 | 0 | 0 | 110.3 | ||||
| 140 | E | 31.9 | Very low | 37.7 | Very low | 201 Ų | 201 | 147.5 Ų | 147.5 | 94% | 0.939 | 78% | 0.78 | S | S | * | * | trans | -149.7 | 130.1 | 159 | -129.4 | 168.4 | -170.8 | 0 | 0 | 113.5 | ||||
| 141 | V | 39.9 | Very low | 38.7 | Very low | 125 Ų | 125 | 146.1 Ų | 146.1 | 76% | 0.758 | 77% | 0.768 | S | S | * | * | trans | -72.9 | 135 | -177.4 | 169 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 142 | N | 40.8 | Very low | 40.2 | Very low | 154 Ų | 154 | 142.3 Ų | 142.3 | 82% | 0.824 | 75% | 0.751 | S | S | * | * | trans | -176.7 | 156.2 | 136.1 | -94.9 | -48.2 | 0 | 0 | 0 | 112.8 | ||||
| 143 | P | 51.2 | Low | 42.1 | Very low | 120 Ų | 120 | 137.2 Ų | 137.2 | 78% | 0.779 | 72% | 0.722 | S | S | * | * | trans | -96.7 | 158.9 | -148.4 | 37.8 | -35.6 | 0 | 0 | 0 | 113.6 | ||||
| 144 | G | 38.7 | Very low | 44.7 | Very low | 71 Ų | 71 | 132.4 Ų | 132.4 | 73% | 0.732 | 70% | 0.698 | S | S | * | * | trans | 112.7 | 62.2 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | K146 | G144-K146 PolarHBondContact O-N 2.97Š| ||
| 145 | R | 38.9 | Very low | 47.2 | Very low | 240 Ų | 240 | 127.7 Ų | 127.7 | 91% | 0.906 | 66% | 0.664 | S | S | * | * | trans | -64.3 | 101.3 | 164.2 | -78 | -172.2 | -176.4 | -169.1 | 1.8 | 108.6 | R147 | R145-R147 PolarHBondContact O-N 3.04Š| ||
| 146 | K | 40.5 | Very low | 49.9 | Very low | 180 Ų | 180 | 123.7 Ų | 123.7 | 78% | 0.783 | 63% | 0.634 | S | S | * | * | trans | -51.9 | 124.3 | 145.2 | -64.4 | -180 | -178.9 | 178.4 | 0 | 105 | G144 D148 | G144-K146 PolarHBondContact O-N 2.97Å; K146-D148 PolarHBondContact O-N 3.4Å | ||
| 147 | R | 47.2 | Very low | 52.5 | Low | 220 Ų | 220 | 119.9 Ų | 119.9 | 83% | 0.83 | 62% | 0.615 | S | S | * | * | trans | -66.6 | 86.5 | -178.1 | -65.9 | -174 | -157.3 | -178.8 | 5.6 | 108 | R145 H149 | R145-R147 PolarHBondContact O-N 3.04Å; R147-H149 PolarHBondContact O-N 3.3Å | ||
| 148 | D | 41.5 | Very low | 55.2 | Low | 139 Ų | 139 | 111.9 Ų | 111.9 | 74% | 0.743 | 58% | 0.579 | S | S | * | * | trans | -58 | 121.2 | 165.9 | -66.4 | -41.5 | 0 | 0 | 0 | 106.4 | K146 N150 | K146-D148 PolarHBondContact O-N 3.4Å; D148-N150 VanDerWaalsContact C-N 3.34Å; D148-N150 PolarHBondContact O-N 2.86Å | ||
| 149 | H | 50.6 | Low | 58 | Low | 122 Ų | 122 | 108.2 Ų | 108.2 | 57% | 0.565 | 55% | 0.55 | S | S | * | * | trans | -66.7 | 92.7 | -172.8 | -163.5 | 47.5 | 0 | 0 | 0 | 108.6 | R147 P151 Q153 | R147-H149 PolarHBondContact O-N 3.3Å; H149-P151 WeakPolarHBondContact O-CD 3.49Å; H149-Q153 PolarHBondContact CE1-OE1 2.68Å; H149-Q153 VanDerWaalsContact CE1-OE1 3.24Å; H149-Q153 PolarHBondContact ND1-OE1 3.44Å | ||
| 150 | N | 56 | Low | 59.7 | Low | 74 Ų | 74 | 104.3 Ų | 104.3 | 40% | 0.396 | 53% | 0.531 | S | S | . | . | trans | -69.1 | 123.5 | 179.4 | -167.5 | 4.9 | 0 | 0 | 0 | 108 | D148 Q152 Q153 | D148-N150 VanDerWaalsContact C-N 3.34Å; D148-N150 PolarHBondContact O-N 2.86Å; N150-Q152 PolarHBondContact ND2-OE1 2.84Å; N150-Q152 PolarHBondContact O-N 3.36Å; N150-Q153 WeakPolarHBondContact O-CB 3.5Å; N150-Q153 WeakPolarHBondContact O-CG 3.25Å; N150-Q153 PolarHBondContact O-N 2.91Å | ||
| 151 | P | 52.5 | Low | 61.9 | Low | 86 Ų | 86 | 103.7 Ų | 103.7 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -58.4 | -13.4 | 178.1 | 20.8 | -33.1 | 0 | 0 | 0 | 114.1 | H149 Q153 | H149-P151 WeakPolarHBondContact O-CD 3.49Å; P151-Q153 PolarHBondContact O-N 2.84Å |
| 152 | Q | 55.6 | Low | 63.9 | Low | 109 Ų | 109 | 105.2 Ų | 105.2 | 51% | 0.509 | 54% | 0.535 | S | S | . | . | G | 310 helix | trans | -67.2 | -6.9 | 168 | -82.2 | 173.1 | -41.4 | 0 | 0 | 114.7 | N150 D154 W158 | N150-Q152 PolarHBondContact ND2-OE1 2.84Å; N150-Q152 PolarHBondContact O-N 3.36Å; Q152-D154 VanDerWaalsContact C-N 3.33Å; Q152-W158 PolarHBondContact O-NE1 2.97Å |
| 153 | Q | 65.9 | Low | 66 | Low | 52 Ų | 52 | 99 Ų | 99 | 24% | 0.243 | 50% | 0.503 | C | S | . | . | G | 310 helix | trans | -74.7 | -19.8 | 177.7 | -75.1 | 178.5 | -11.3 | 0 | 0 | 113.9 | Q91 H149 N150 P151 P155 | Q91-Q153 VanDerWaalsContact NE2-CB 3.35Å; H149-Q153 PolarHBondContact CE1-OE1 2.68Å; H149-Q153 VanDerWaalsContact CE1-OE1 3.24Å; H149-Q153 PolarHBondContact ND1-OE1 3.44Å; N150-Q153 WeakPolarHBondContact O-CB 3.5Å; N150-Q153 WeakPolarHBondContact O-CG 3.25Å; N150-Q153 PolarHBondContact O-N 2.91Å; P151-Q153 PolarHBondContact O-N 2.84Å; Q153-P155 WeakPolarHBondContact O-CD 3.34Å |
| 154 | D | 81.6 | Confident | 67.8 | Low | 50 Ų | 50 | 94.6 Ų | 94.6 | 27% | 0.267 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -90.7 | 112.5 | 175 | -177.2 | -0.7 | 0 | 0 | 0 | 110.1 | Q152 L156 K157 | Q152-D154 VanDerWaalsContact C-N 3.33Å; D154-L156 PolarHBondContact O-N 2.96Å; D154-L156 PolarHBondContact OD1-N 3.01Å; D154-L156 VanDerWaalsContact OD1-N 3.11Å; D154-K157 HydrophobicContact CB-CD 3.96Å; D154-K157 HydrophobicContact CB-CG 4.01Å; D154-K157 PolarHBondContact O-N 2.79Å |
| 155 | P | 86.5 | Confident | 70.4 | Confident | 19 Ų | 19 | 96.9 Ų | 96.9 | 12% | 0.123 | 47% | 0.466 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.1 | -178 | -24 | 34 | 0 | 0 | 0 | 114.1 | L69 Q153 K157 W158 F159 | L69-P155 HydrophobicContact CD1-CG 3.39Å; L69-P155 HydrophobicContact CD2-CG 4.12Å; L69-P155 HydrophobicContact CG-CG 4.43Å; Q153-P155 WeakPolarHBondContact O-CD 3.34Å; P155-K157 VanDerWaalsContact C-N 3.34Å; P155-W158 HydrophobicContact CB-CD2 4.32Å; P155-W158 HydrophobicContact CB-CE3 3.95Å; P155-W158 HydrophobicContact CB-CH2 3.87Å; P155-W158 HydrophobicContact CB-CZ2 4.26Å; P155-W158 HydrophobicContact CB-CZ3 3.73Å; P155-W158 HydrophobicContact CG-CH2 4.06Å; P155-W158 HydrophobicContact CG-CZ2 4.35Å; P155-W158 HydrophobicContact CG-CZ3 4.4Å; P155-W158 WeakPolarHBondContact O-CB 3.31Å; P155-F159 WeakPolarHBondContact O-CE2 3.46Å |
| 156 | L | 87.7 | Confident | 73 | Confident | 22 Ų | 22 | 85.9 Ų | 85.9 | 12% | 0.115 | 43% | 0.426 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -33.4 | 177.6 | -71.3 | 173.5 | 0 | 0 | 0 | 111.9 | D154 W158 F159 V163 L167 K168 Q171 | D154-L156 PolarHBondContact O-N 2.96Å; D154-L156 PolarHBondContact OD1-N 3.01Å; D154-L156 VanDerWaalsContact OD1-N 3.11Å; L156-W158 PolarHBondContact O-N 2.9Å; L156-F159 PolarHBondContact O-N 3.31Å; L156-V163 HydrophobicContact CB-CG1 4.31Å; L156-V163 HydrophobicContact CB-CG2 4.25Å; L156-V163 HydrophobicContact CD2-CG1 4.13Å; L156-V163 WeakPolarHBondContact O-CG2 3.32Å; L156-L167 HydrophobicContact CD2-CG 4.19Å; L156-K168 HydrophobicContact CD1-CG 4.05Å; L156-Q171 HydrophobicContact CD2-CB 4.08Å; L156-Q171 HydrophobicContact CD2-CG 4.42Å |
| 157 | K | 86.4 | Confident | 75.4 | Confident | 116 Ų | 116 | 77.8 Ų | 77.8 | 50% | 0.504 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -73.2 | -14.8 | -177.1 | -64.1 | -178.4 | -173.1 | 173.1 | 0 | 113 | D154 P155 F159 G160 | D154-K157 HydrophobicContact CB-CD 3.96Å; D154-K157 HydrophobicContact CB-CG 4.01Å; D154-K157 PolarHBondContact O-N 2.79Å; P155-K157 VanDerWaalsContact C-N 3.34Å; K157-F159 PolarHBondContact O-N 2.91Å; K157-G160 PolarHBondContact O-N 3.28Å; K157-G160 VanDerWaalsContact O-N 3.16Å |
| 158 | W | 87 | Confident | 77.6 | Confident | 31 Ų | 31 | 72 Ų | 72 | 12% | 0.117 | 37% | 0.372 | C | S | . | . | G | 310 helix | trans | -59.9 | -28.4 | 171.5 | -63.4 | -12.4 | 0 | 0 | 0 | 112.4 | Q61 F62 A63 M66 Q152 P155 L156 G160 | Q61-W158 WeakPolarHBondContact O-CB 3.38Å; F62-W158 HydrophobicContact CB-CE3 4.44Å; F62-W158 AromaticContact CD1-CE3 3.98Å; F62-W158 HydrophobicContact CD1-CE3 3.98Å; F62-W158 HydrophobicContact CD1-CZ3 4.31Å; A63-W158 HydrophobicContact CB-CD2 4.34Å; A63-W158 HydrophobicContact CB-CZ2 4.09Å; M66-W158 HydrophobicContact CB-CH2 3.99Å; M66-W158 HydrophobicContact CB-CZ2 4.47Å; M66-W158 HydrophobicContact CG-CH2 3.62Å; M66-W158 HydrophobicContact CG-CZ2 4.45Å; M66-W158 HydrophobicContact CG-CZ3 4.36Å; M66-W158 HydrophobicContact SD-CH2 3.67Å; M66-W158 HydrophobicContact SD-CZ3 3.8Å; Q152-W158 PolarHBondContact O-NE1 2.97Å; P155-W158 HydrophobicContact CB-CD2 4.32Å; P155-W158 HydrophobicContact CB-CE3 3.95Å; P155-W158 HydrophobicContact CB-CH2 3.87Å; P155-W158 HydrophobicContact CB-CZ2 4.26Å; P155-W158 HydrophobicContact CB-CZ3 3.73Å; P155-W158 HydrophobicContact CG-CH2 4.06Å; P155-W158 HydrophobicContact CG-CZ2 4.35Å; P155-W158 HydrophobicContact CG-CZ3 4.4Å; P155-W158 WeakPolarHBondContact O-CB 3.31Å; L156-W158 PolarHBondContact O-N 2.9Å; W158-G160 PolarHBondContact O-N 2.91Å |
| 159 | F | 87.8 | Confident | 80.1 | Confident | 26 Ų | 26 | 69.3 Ų | 69.3 | 11% | 0.114 | 36% | 0.355 | C | S | . | . | G | 310 helix | trans | -89.1 | 16.3 | 179.8 | -54.6 | -76.1 | 0 | 0 | 0 | 113.3 | M52 Q56 V57 Q61 F62 P155 L156 K157 L167 | M52-F159 HydrophobicContact CE-CB 4.45Å; M52-F159 WeakPolarHBondContact CE-O 3.35Å; Q56-F159 VanDerWaalsContact O-CD1 3.29Å; Q56-F159 WeakPolarHBondContact O-CD1 3.34Å; V57-F159 HydrophobicContact CG1-CE1 4.34Å; Q61-F159 HydrophobicContact CB-CD1 3.86Å; Q61-F159 HydrophobicContact CB-CE1 4.03Å; Q61-F159 HydrophobicContact CG-CD1 4.15Å; F62-F159 HydrophobicContact CD1-CZ 4.35Å; F62-F159 HydrophobicContact CE1-CE1 4.42Å; F62-F159 AromaticContact CE1-CZ 3.92Å; F62-F159 HydrophobicContact CE1-CZ 3.92Å; P155-F159 WeakPolarHBondContact O-CE2 3.46Å; L156-F159 PolarHBondContact O-N 3.31Å; K157-F159 PolarHBondContact O-N 2.91Å; F159-L167 HydrophobicContact CB-CD2 3.87Å; F159-L167 HydrophobicContact CD2-CD2 3.56Å; F159-L167 HydrophobicContact CE2-CD2 4.2Å; F159-L167 HydrophobicContact CG-CD2 3.74Å |
| 160 | G | 84.9 | Confident | 82.2 | Confident | 34 Ų | 34 | 63.6 Ų | 63.6 | 35% | 0.351 | 33% | 0.329 | S | S | . | . | trans | 102.3 | 178.8 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | K157 W158 L162 | K157-G160 PolarHBondContact O-N 3.28Å; K157-G160 VanDerWaalsContact O-N 3.16Å; W158-G160 PolarHBondContact O-N 2.91Å; G160-L162 VanDerWaalsContact C-N 3.33Å; G160-L162 PolarHBondContact O-N 3.3Å | ||
| 161 | I | 77.8 | Confident | 84 | Confident | 187 Ų | 187 | 62.2 Ų | 62.2 | 96% | 0.959 | 32% | 0.32 | S | S | * | . | S | Bend | trans | -72 | -30.6 | -173.4 | -58.8 | 159.7 | 0 | 0 | 0 | 111.4 | ||
| 162 | L | 83.2 | Confident | 85.9 | Confident | 157 Ų | 157 | 60.9 Ų | 60.9 | 82% | 0.822 | 31% | 0.313 | S | S | * | . | trans | -108.4 | 91.7 | -178.6 | -166.7 | 73.1 | 0 | 0 | 0 | 110.7 | G160 | G160-L162 VanDerWaalsContact C-N 3.33Å; G160-L162 PolarHBondContact O-N 3.3Å | ||
| 163 | V | 84.6 | Confident | 87.8 | Confident | 25 Ų | 25 | 56 Ų | 56 | 15% | 0.152 | 29% | 0.29 | C | S | . | . | trans | -87 | 120.7 | 178.4 | -179.5 | 0 | 0 | 0 | 0 | 110 | L156 L167 K168 | L156-V163 HydrophobicContact CB-CG1 4.31Å; L156-V163 HydrophobicContact CB-CG2 4.25Å; L156-V163 HydrophobicContact CD2-CG1 4.13Å; L156-V163 WeakPolarHBondContact O-CG2 3.32Å; V163-L167 HydrophobicContact CG1-CB 3.98Å; V163-L167 HydrophobicContact CG1-CD2 3.97Å; V163-L167 HydrophobicContact CG1-CG 4.32Å; V163-K168 HydrophobicContact CG1-CG 4.01Å | ||
| 164 | P | 90.1 | Very high | 89.1 | Confident | 27 Ų | 27 | 56 Ų | 56 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | trans | -67.7 | 149.7 | 179.4 | 30.5 | -37 | 0 | 0 | 0 | 110.8 | A48 M52 S166 L167 K168 | A48-P164 HydrophobicContact CB-CG 4.11Å; M52-P164 HydrophobicContact CG-CG 3.74Å; M52-P164 WeakPolarHBondContact SD-CD 3.32Å; M52-P164 HydrophobicContact SD-CG 3.39Å; M52-P164 WeakPolarHBondContact SD-CG 3.48Å; P164-S166 PolarHBondContact O-N 2.99Å; P164-S166 VanDerWaalsContact O-N 3.16Å; P164-L167 HydrophobicContact CG-CB 3.93Å; P164-L167 PolarHBondContact O-N 3.27Å; P164-K168 PolarHBondContact O-N 2.91Å | ||
| 165 | Q | 92.1 | Very high | 89.6 | Confident | 119 Ų | 119 | 57 Ų | 57 | 56% | 0.556 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.3 | -33.5 | -179.4 | -173.2 | 61.4 | 14.1 | 0 | 0 | 112.7 | L167 K168 Q169 | Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 3.33Å; Q165-K168 WeakPolarHBondContact O-CB 3.48Å; Q165-K168 PolarHBondContact O-N 3.14Å; Q165-Q169 WeakPolarHBondContact O-CG 3.43Å; Q165-Q169 PolarHBondContact O-N 3.01Å |
| 166 | S | 93.5 | Very high | 89.9 | Confident | 9 Ų | 9 | 60.3 Ų | 60.3 | 6% | 0.063 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63 | -33.1 | 176 | 50.9 | 0 | 0 | 0 | 0 | 113 | S44 A48 P164 Q169 A170 | S44-S166 WeakPolarHBondContact CB-O 3.5Å; A48-S166 VanDerWaalsContact CA-OG 3.31Å; A48-S166 WeakPolarHBondContact CA-OG 3.33Å; A48-S166 WeakPolarHBondContact CB-OG 3.49Å; A48-S166 PolarHBondContact N-OG 3.15Å; P164-S166 PolarHBondContact O-N 2.99Å; P164-S166 VanDerWaalsContact O-N 3.16Å; S166-Q169 PolarHBondContact O-N 3.42Å; S166-A170 WeakPolarHBondContact O-CB 3.34Å; S166-A170 PolarHBondContact O-N 3.28Å |
| 167 | L | 92.1 | Very high | 90.3 | Very high | 10 Ų | 10 | 59.8 Ų | 59.8 | 5% | 0.052 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -73.8 | -35.7 | 176.5 | -166.7 | 63 | 0 | 0 | 0 | 111.5 | A48 V57 L156 F159 V163 P164 Q165 A170 Q171 | A48-L167 HydrophobicContact CB-CB 3.97Å; A48-L167 HydrophobicContact CB-CD1 4.14Å; V57-L167 HydrophobicContact CG1-CD1 3.92Å; V57-L167 HydrophobicContact CG2-CD2 4.37Å; L156-L167 HydrophobicContact CD2-CG 4.19Å; F159-L167 HydrophobicContact CB-CD2 3.87Å; F159-L167 HydrophobicContact CD2-CD2 3.56Å; F159-L167 HydrophobicContact CE2-CD2 4.2Å; F159-L167 HydrophobicContact CG-CD2 3.74Å; V163-L167 HydrophobicContact CG1-CB 3.98Å; V163-L167 HydrophobicContact CG1-CD2 3.97Å; V163-L167 HydrophobicContact CG1-CG 4.32Å; P164-L167 HydrophobicContact CG-CB 3.93Å; P164-L167 PolarHBondContact O-N 3.27Å; Q165-L167 VanDerWaalsContact C-N 3.3Å; Q165-L167 PolarHBondContact O-N 3.33Å; L167-A170 PolarHBondContact O-N 3.31Å; L167-Q171 PolarHBondContact O-N 3.44Å |
| 168 | K | 92.8 | Very high | 90.6 | Very high | 97 Ų | 97 | 58 Ų | 58 | 42% | 0.422 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -63.5 | -44.1 | 171.7 | -57.7 | -172.8 | -178.7 | 177.2 | 0 | 111.4 | L156 V163 P164 Q165 Q171 S172 | L156-K168 HydrophobicContact CD1-CG 4.05Å; V163-K168 HydrophobicContact CG1-CG 4.01Å; P164-K168 PolarHBondContact O-N 2.91Å; Q165-K168 WeakPolarHBondContact O-CB 3.48Å; Q165-K168 PolarHBondContact O-N 3.14Å; K168-Q171 PolarHBondContact O-N 3.37Å; K168-S172 PolarHBondContact O-N 3.39Å |
| 169 | Q | 94.4 | Very high | 90.7 | Very high | 84 Ų | 84 | 58.3 Ų | 58.3 | 39% | 0.393 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.7 | -47.3 | 174.7 | -75.1 | 173.4 | -18 | 0 | 0 | 111.3 | Q165 S166 Q171 S172 S173 | Q165-Q169 WeakPolarHBondContact O-CG 3.43Å; Q165-Q169 PolarHBondContact O-N 3.01Å; S166-Q169 PolarHBondContact O-N 3.42Å; Q169-Q171 VanDerWaalsContact C-N 3.34Å; Q169-Q171 PolarHBondContact O-N 3.27Å; Q169-S172 WeakPolarHBondContact O-CB 3.11Å; Q169-S172 PolarHBondContact O-N 3.38Å; Q169-S172 VanDerWaalsContact O-N 3.14Å; Q169-S173 PolarHBondContact O-N 2.99Å; Q169-S173 PolarHBondContact O-OG 3Å |
| 170 | A | 94.4 | Very high | 91 | Very high | 2 Ų | 2 | 58.1 Ų | 58.1 | 2% | 0.017 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -55.5 | -48.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | I45 S166 L167 S172 S173 F174 | I45-A170 HydrophobicContact CG1-CB 3.67Å; S166-A170 WeakPolarHBondContact O-CB 3.34Å; S166-A170 PolarHBondContact O-N 3.28Å; L167-A170 PolarHBondContact O-N 3.31Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3Å; A170-S173 PolarHBondContact O-N 3.05Å; A170-F174 HydrophobicContact CB-CD2 4.49Å; A170-F174 HydrophobicContact CB-CE2 4.47Å; A170-F174 WeakPolarHBondContact O-CD2 3.32Å; A170-F174 PolarHBondContact O-N 2.92Å |
| 171 | Q | 92.7 | Very high | 91.4 | Very high | 44 Ų | 44 | 58.6 Ų | 58.6 | 21% | 0.206 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -41.9 | 178 | -165.3 | -160.7 | 50.6 | 0 | 0 | 111.8 | L156 L167 K168 Q169 K175 | L156-Q171 HydrophobicContact CD2-CB 4.08Å; L156-Q171 HydrophobicContact CD2-CG 4.42Å; L167-Q171 PolarHBondContact O-N 3.44Å; K168-Q171 PolarHBondContact O-N 3.37Å; Q169-Q171 VanDerWaalsContact C-N 3.34Å; Q169-Q171 PolarHBondContact O-N 3.27Å; Q171-K175 HydrophobicContact CG-CD 4.36Å; Q171-K175 WeakPolarHBondContact O-CB 3.49Å; Q171-K175 VanDerWaalsContact O-CG 3.25Å; Q171-K175 WeakPolarHBondContact O-CG 3.5Å; Q171-K175 PolarHBondContact O-N 2.95Å |
| 172 | S | 92.4 | Very high | 92 | Very high | 59 Ų | 59 | 50 Ų | 50 | 41% | 0.413 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -63.5 | -46.8 | 176.9 | -171 | 0 | 0 | 0 | 0 | 112.1 | K168 Q169 A170 K175 Q176 | K168-S172 PolarHBondContact O-N 3.39Å; Q169-S172 WeakPolarHBondContact O-CB 3.11Å; Q169-S172 PolarHBondContact O-N 3.38Å; Q169-S172 VanDerWaalsContact O-N 3.14Å; A170-S172 VanDerWaalsContact C-N 3.3Å; A170-S172 PolarHBondContact O-N 3Å; S172-K175 PolarHBondContact O-N 3.27Å; S172-Q176 WeakPolarHBondContact O-CG 3.46Å; S172-Q176 PolarHBondContact O-N 3.5Å; S172-Q176 VanDerWaalsContact O-N 3.15Å |
| 173 | S | 95.1 | Very high | 92.3 | Very high | 5 Ų | 5 | 46.9 Ų | 46.9 | 4% | 0.035 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -60 | -47.7 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 110.9 | Q169 A170 K175 Q176 V177 | Q169-S173 PolarHBondContact O-N 2.99Å; Q169-S173 PolarHBondContact O-OG 3Å; A170-S173 PolarHBondContact O-N 3.05Å; S173-K175 VanDerWaalsContact C-N 3.35Å; S173-K175 PolarHBondContact O-N 3.47Å; S173-Q176 WeakPolarHBondContact O-CB 3.4Å; S173-Q176 PolarHBondContact O-N 3.28Å; S173-V177 VanDerWaalsContact O-CG2 3.3Å; S173-V177 WeakPolarHBondContact O-CG2 3.37Å; S173-V177 PolarHBondContact O-N 3.33Å |
| 174 | F | 94.6 | Very high | 92.7 | Very high | 53 Ų | 53 | 46.2 Ų | 46.2 | 23% | 0.232 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.7 | -32.6 | 179.4 | -74.1 | -62.4 | 0 | 0 | 0 | 113.5 | W42 I45 A170 V177 I178 | W42-F174 AromaticContact CD2-CZ 3.85Å; W42-F174 HydrophobicContact CD2-CZ 3.85Å; W42-F174 AromaticContact CE2-CZ 3.88Å; W42-F174 HydrophobicContact CE3-CZ 4.27Å; W42-F174 HydrophobicContact CG-CZ 4.11Å; W42-F174 HydrophobicContact CZ2-CZ 4.31Å; I45-F174 HydrophobicContact CD1-CD2 4.23Å; I45-F174 HydrophobicContact CD1-CE2 3.36Å; I45-F174 HydrophobicContact CD1-CZ 4.01Å; I45-F174 HydrophobicContact CG1-CE2 4Å; A170-F174 HydrophobicContact CB-CD2 4.49Å; A170-F174 HydrophobicContact CB-CE2 4.47Å; A170-F174 WeakPolarHBondContact O-CD2 3.32Å; A170-F174 PolarHBondContact O-N 2.92Å; F174-V177 PolarHBondContact O-N 3.24Å; F174-I178 WeakPolarHBondContact O-CG1 3.3Å; F174-I178 PolarHBondContact O-N 2.94Å |
| 175 | K | 91.4 | Very high | 92.8 | Very high | 70 Ų | 70 | 45.9 Ų | 45.9 | 30% | 0.304 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -59.1 | -47.7 | 171.2 | -78.3 | 168.1 | 173.7 | 171.4 | 0 | 111.2 | Q171 S172 S173 V177 I178 E179 | Q171-K175 HydrophobicContact CG-CD 4.36Å; Q171-K175 WeakPolarHBondContact O-CB 3.49Å; Q171-K175 VanDerWaalsContact O-CG 3.25Å; Q171-K175 WeakPolarHBondContact O-CG 3.5Å; Q171-K175 PolarHBondContact O-N 2.95Å; S172-K175 PolarHBondContact O-N 3.27Å; S173-K175 VanDerWaalsContact C-N 3.35Å; S173-K175 PolarHBondContact O-N 3.47Å; K175-V177 VanDerWaalsContact C-N 3.34Å; K175-V177 PolarHBondContact O-N 3.38Å; K175-I178 PolarHBondContact O-N 3.16Å; K175-E179 PolarHBondContact O-N 2.9Å |
| 176 | Q | 92.9 | Very high | 92.6 | Very high | 89 Ų | 89 | 41.4 Ų | 41.4 | 42% | 0.416 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63.7 | -39.1 | 176.4 | -67.2 | 174.1 | -1 | 0 | 0 | 111.9 | L37 S172 S173 I178 E179 L180 | L37-Q176 HydrophobicContact CD1-CB 3.99Å; S172-Q176 WeakPolarHBondContact O-CG 3.46Å; S172-Q176 PolarHBondContact O-N 3.5Å; S172-Q176 VanDerWaalsContact O-N 3.15Å; S173-Q176 WeakPolarHBondContact O-CB 3.4Å; S173-Q176 PolarHBondContact O-N 3.28Å; Q176-I178 PolarHBondContact O-N 2.95Å; Q176-E179 PolarHBondContact O-N 3.24Å; Q176-L180 WeakPolarHBondContact O-CB 3.43Å; Q176-L180 PolarHBondContact O-N 2.75Å |
| 177 | V | 95.6 | Very high | 92.4 | Very high | 11 Ų | 11 | 41.9 Ų | 41.9 | 7% | 0.067 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -44.9 | 176 | 167.8 | 0 | 0 | 0 | 0 | 111.5 | L34 L37 I38 S173 F174 K175 E179 S181 | L34-V177 HydrophobicContact CD1-CB 4.24Å; L34-V177 HydrophobicContact CD1-CG1 3.79Å; L34-V177 WeakPolarHBondContact CD1-O 3.27Å; L37-V177 HydrophobicContact CB-CG2 3.54Å; I38-V177 HydrophobicContact CD1-CG1 4.07Å; I38-V177 HydrophobicContact CG1-CB 4.42Å; I38-V177 HydrophobicContact CG1-CG1 3.68Å; I38-V177 HydrophobicContact CG1-CG2 3.74Å; S173-V177 VanDerWaalsContact O-CG2 3.3Å; S173-V177 WeakPolarHBondContact O-CG2 3.37Å; S173-V177 PolarHBondContact O-N 3.33Å; F174-V177 PolarHBondContact O-N 3.24Å; K175-V177 VanDerWaalsContact C-N 3.34Å; K175-V177 PolarHBondContact O-N 3.38Å; V177-E179 VanDerWaalsContact C-N 3.35Å; V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.29Å; V177-S181 PolarHBondContact O-N 3.16Å; V177-S181 PolarHBondContact O-OG 3.37Å |
| 178 | I | 92.7 | Very high | 92.5 | Very high | 78 Ų | 78 | 45 Ų | 45 | 40% | 0.4 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -64.4 | -42.3 | 179.6 | -65.9 | -60.9 | 0 | 0 | 0 | 111 | V70 V72 F174 K175 Q176 S181 A182 | V70-I178 HydrophobicContact CG1-CG2 3.88Å; V72-I178 HydrophobicContact CG2-CG2 4.19Å; F174-I178 WeakPolarHBondContact O-CG1 3.3Å; F174-I178 PolarHBondContact O-N 2.94Å; K175-I178 PolarHBondContact O-N 3.16Å; Q176-I178 PolarHBondContact O-N 2.95Å; I178-S181 PolarHBondContact O-N 3.42Å; I178-A182 PolarHBondContact O-N 3.49Å |
| 179 | E | 89.9 | Confident | 92.3 | Very high | 38 Ų | 38 | 42.1 Ų | 42.1 | 18% | 0.178 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.5 | -50.6 | 177.7 | -73.8 | 163.7 | -166.5 | 0 | 0 | 111.6 | A86 R88 K175 Q176 V177 S181 A182 E183 | A86-E179 HydrophobicContact CB-CG 4.07Å; R88-E179 IonicContact CZ-OE1 3.3Å; R88-E179 IonicContact CZ-OE2 3.43Å; R88-E179 IonicContact NE-OE1 2.68Å; R88-E179 PolarHBondContact NE-OE1 3.04Å; R88-E179 IonicContact NH2-OE1 3.06Å; R88-E179 PolarHBondContact NH2-OE1 2.83Å; R88-E179 IonicContact NH2-OE2 3.85Å; R88-E179 PolarHBondContact NH2-OE2 2.91Å; K175-E179 PolarHBondContact O-N 2.9Å; Q176-E179 PolarHBondContact O-N 3.24Å; V177-E179 VanDerWaalsContact C-N 3.35Å; E179-S181 PolarHBondContact O-N 3.39Å; E179-A182 WeakPolarHBondContact O-CB 3.45Å; E179-A182 PolarHBondContact O-N 2.92Å; E179-A182 VanDerWaalsContact O-N 3.1Å; E179-E183 PolarHBondContact O-N 3.42Å |
| 180 | L | 93.1 | Very high | 92.1 | Very high | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.115 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -63.1 | -32.4 | 178.1 | -171.5 | 60.8 | 0 | 0 | 0 | 111.9 | K30 T33 L34 L37 Q176 A182 E183 I184 | K30-L180 HydrophobicContact CB-CD1 4.14Å; K30-L180 HydrophobicContact CD-CD1 3.83Å; K30-L180 HydrophobicContact CG-CD1 4.12Å; T33-L180 HydrophobicContact CG2-CD2 3.93Å; L34-L180 HydrophobicContact CB-CD2 3.82Å; L34-L180 HydrophobicContact CB-CG 4.42Å; L34-L180 HydrophobicContact CD1-CB 3.98Å; L34-L180 HydrophobicContact CD1-CD2 4.06Å; L34-L180 HydrophobicContact CD1-CG 4.11Å; L37-L180 HydrophobicContact CD1-CD2 4.21Å; Q176-L180 WeakPolarHBondContact O-CB 3.43Å; Q176-L180 PolarHBondContact O-N 2.75Å; L180-A182 VanDerWaalsContact C-N 3.35Å; L180-E183 PolarHBondContact O-N 3.25Å; L180-I184 HydrophobicContact CG-CD1 4.02Å; L180-I184 HydrophobicContact CG-CG1 4.49Å; L180-I184 WeakPolarHBondContact O-CB 3.35Å; L180-I184 VanDerWaalsContact O-CG1 3.26Å; L180-I184 WeakPolarHBondContact O-CG1 3.28Å; L180-I184 PolarHBondContact O-N 2.95Å |
| 181 | S | 93.6 | Very high | 92.1 | Very high | 44 Ų | 44 | 40 Ų | 40 | 31% | 0.308 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -64 | -39.5 | 174.6 | -61 | 0 | 0 | 0 | 0 | 112.1 | L34 V177 I178 E179 I184 A185 | L34-S181 WeakPolarHBondContact CD1-OG 3.39Å; V177-S181 VanDerWaalsContact O-CB 3.31Å; V177-S181 WeakPolarHBondContact O-CB 3.29Å; V177-S181 PolarHBondContact O-N 3.16Å; V177-S181 PolarHBondContact O-OG 3.37Å; I178-S181 PolarHBondContact O-N 3.42Å; E179-S181 PolarHBondContact O-N 3.39Å; S181-I184 PolarHBondContact O-N 3.26Å; S181-A185 WeakPolarHBondContact O-CB 3.47Å; S181-A185 PolarHBondContact O-N 2.94Å |
| 182 | A | 90.3 | Very high | 92 | Very high | 6 Ų | 6 | 41.7 Ų | 41.7 | 5% | 0.05 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -64.3 | -42.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | V72 F84 A86 I178 E179 L180 A185 A186 | V72-A182 HydrophobicContact CG1-CB 4.09Å; V72-A182 HydrophobicContact CG2-CB 4.39Å; F84-A182 HydrophobicContact CB-CB 4.11Å; A86-A182 HydrophobicContact CB-CB 4.42Å; I178-A182 PolarHBondContact O-N 3.49Å; E179-A182 WeakPolarHBondContact O-CB 3.45Å; E179-A182 PolarHBondContact O-N 2.92Å; E179-A182 VanDerWaalsContact O-N 3.1Å; L180-A182 VanDerWaalsContact C-N 3.35Å; A182-A185 PolarHBondContact O-N 3.48Å; A182-A186 PolarHBondContact O-N 2.86Å |
| 183 | E | 89.5 | Confident | 91.9 | Very high | 93 Ų | 93 | 42 Ų | 42 | 44% | 0.435 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.8 | -42.6 | 175.1 | -66.6 | -177.4 | -160.2 | 0 | 0 | 112.8 | K30 E179 L180 A185 A186 L187 | K30-E183 IonicContact NZ-OE2 2.69Å; K30-E183 PolarHBondContact NZ-OE2 2.92Å; E179-E183 PolarHBondContact O-N 3.42Å; L180-E183 PolarHBondContact O-N 3.25Å; E183-A185 VanDerWaalsContact C-N 3.34Å; E183-A186 PolarHBondContact O-N 3.31Å; E183-L187 PolarHBondContact O-N 2.93Å |
| 184 | I | 93.5 | Very high | 91.7 | Very high | 10 Ų | 10 | 42.4 Ų | 42.4 | 5% | 0.051 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.6 | -44.5 | 175.6 | -72.5 | 165 | 0 | 0 | 0 | 109.8 | L27 K30 R31 L34 L180 S181 A186 L187 Q188 | L27-I184 HydrophobicContact CD1-CG2 4.15Å; K30-I184 HydrophobicContact CB-CD1 4.05Å; K30-I184 HydrophobicContact CB-CG1 3.69Å; K30-I184 HydrophobicContact CD-CG1 4.46Å; R31-I184 HydrophobicContact CG-CD1 4.44Å; L34-I184 HydrophobicContact CB-CD1 3.82Å; L34-I184 HydrophobicContact CD1-CD1 4.28Å; L34-I184 HydrophobicContact CD2-CD1 3.78Å; L34-I184 HydrophobicContact CG-CD1 4.17Å; L180-I184 HydrophobicContact CG-CD1 4.02Å; L180-I184 HydrophobicContact CG-CG1 4.49Å; L180-I184 WeakPolarHBondContact O-CB 3.35Å; L180-I184 VanDerWaalsContact O-CG1 3.26Å; L180-I184 WeakPolarHBondContact O-CG1 3.28Å; L180-I184 PolarHBondContact O-N 2.95Å; S181-I184 PolarHBondContact O-N 3.26Å; I184-A186 VanDerWaalsContact C-N 3.29Å; I184-A186 PolarHBondContact O-N 3.45Å; I184-L187 PolarHBondContact O-N 3.34Å; I184-Q188 HydrophobicContact CG2-CG 4.19Å; I184-Q188 WeakPolarHBondContact O-CB 3.41Å; I184-Q188 VanDerWaalsContact O-CG 3.26Å; I184-Q188 WeakPolarHBondContact O-CG 3.13Å; I184-Q188 PolarHBondContact O-N 2.93Å |
| 185 | A | 91.6 | Very high | 91.6 | Very high | 21 Ų | 21 | 46.8 Ų | 46.8 | 17% | 0.174 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.4 | -41.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111.7 | F84 S181 A182 E183 Q188 I189 | F84-A185 HydrophobicContact CD1-CB 4.48Å; F84-A185 HydrophobicContact CD2-CB 3.71Å; F84-A185 HydrophobicContact CE1-CB 4.41Å; F84-A185 HydrophobicContact CE2-CB 3.57Å; F84-A185 HydrophobicContact CG-CB 4.16Å; F84-A185 HydrophobicContact CZ-CB 3.97Å; S181-A185 WeakPolarHBondContact O-CB 3.47Å; S181-A185 PolarHBondContact O-N 2.94Å; A182-A185 PolarHBondContact O-N 3.48Å; E183-A185 VanDerWaalsContact C-N 3.34Å; A185-Q188 PolarHBondContact O-N 3.39Å; A185-I189 WeakPolarHBondContact O-CG1 3.34Å; A185-I189 PolarHBondContact O-N 3.24Å |
| 186 | A | 87.8 | Confident | 91.7 | Very high | 24 Ų | 24 | 48.5 Ų | 48.5 | 20% | 0.198 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | F84 A182 E183 I184 Q188 I189 V190 | F84-A186 HydrophobicContact CD2-CB 4Å; A182-A186 PolarHBondContact O-N 2.86Å; E183-A186 PolarHBondContact O-N 3.31Å; I184-A186 VanDerWaalsContact C-N 3.29Å; I184-A186 PolarHBondContact O-N 3.45Å; A186-Q188 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 3.47Å; A186-I189 PolarHBondContact O-N 3.45Å; A186-V190 PolarHBondContact O-N 2.81Å; A186-V190 VanDerWaalsContact O-N 3.14Å |
| 187 | L | 90.8 | Very high | 91.5 | Very high | 20 Ų | 20 | 47.8 Ų | 47.8 | 11% | 0.105 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.6 | -38.1 | 176.5 | -74.3 | 178.7 | 0 | 0 | 0 | 112.6 | L26 L27 K30 E183 I184 I189 V190 V191 | L26-L187 HydrophobicContact CD2-CD1 3.97Å; L26-L187 HydrophobicContact CD2-CD2 3.98Å; L26-L187 HydrophobicContact CG-CD1 3.9Å; L27-L187 HydrophobicContact CD1-CB 3.95Å; K30-L187 HydrophobicContact CD-CD1 3.65Å; K30-L187 HydrophobicContact CG-CD1 4.43Å; E183-L187 PolarHBondContact O-N 2.93Å; I184-L187 PolarHBondContact O-N 3.34Å; L187-I189 VanDerWaalsContact C-N 3.26Å; L187-I189 PolarHBondContact O-N 3.09Å; L187-V190 WeakPolarHBondContact O-CB 3.31Å; L187-V190 PolarHBondContact O-N 3.04Å; L187-V190 VanDerWaalsContact O-N 3.11Å; L187-V191 WeakPolarHBondContact O-CG2 3.39Å; L187-V191 PolarHBondContact O-N 2.82Å |
| 188 | Q | 92.8 | Very high | 91.3 | Very high | 74 Ų | 74 | 48.5 Ų | 48.5 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58.7 | -40.5 | 175.9 | -74.9 | 178.8 | -54.7 | 0 | 0 | 111.2 | L27 I184 A185 A186 V191 L192 | L27-Q188 HydrophobicContact CD1-CG 3.55Å; I184-Q188 HydrophobicContact CG2-CG 4.19Å; I184-Q188 WeakPolarHBondContact O-CB 3.41Å; I184-Q188 VanDerWaalsContact O-CG 3.26Å; I184-Q188 WeakPolarHBondContact O-CG 3.13Å; I184-Q188 PolarHBondContact O-N 2.93Å; A185-Q188 PolarHBondContact O-N 3.39Å; A186-Q188 VanDerWaalsContact C-N 3.35Å; A186-Q188 PolarHBondContact O-N 3.47Å; Q188-V191 PolarHBondContact O-N 3.22Å; Q188-L192 WeakPolarHBondContact O-CB 3.29Å; Q188-L192 WeakPolarHBondContact O-CG 3.45Å; Q188-L192 PolarHBondContact O-N 3.25Å |
| 189 | I | 90.1 | Very high | 91.3 | Very high | 38 Ų | 38 | 52 Ų | 52 | 20% | 0.195 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 174.8 | -65.7 | -178.1 | 0 | 0 | 0 | 110.7 | V82 F84 A185 A186 L187 V191 L192 N193 | V82-I189 HydrophobicContact CB-CD1 3.59Å; V82-I189 HydrophobicContact CB-CG2 4.48Å; V82-I189 HydrophobicContact CG1-CD1 3.72Å; V82-I189 HydrophobicContact CG2-CD1 4.26Å; F84-I189 HydrophobicContact CD2-CD1 4.44Å; F84-I189 HydrophobicContact CE2-CD1 3.41Å; F84-I189 VanDerWaalsContact CE2-CD1 3.41Å; F84-I189 HydrophobicContact CE2-CG1 4.26Å; F84-I189 HydrophobicContact CZ-CD1 3.92Å; A185-I189 WeakPolarHBondContact O-CG1 3.34Å; A185-I189 PolarHBondContact O-N 3.24Å; A186-I189 PolarHBondContact O-N 3.45Å; L187-I189 VanDerWaalsContact C-N 3.26Å; L187-I189 PolarHBondContact O-N 3.09Å; I189-V191 PolarHBondContact O-N 3.32Å; I189-L192 PolarHBondContact O-N 3.21Å; I189-N193 WeakPolarHBondContact O-CB 3.21Å; I189-N193 VanDerWaalsContact O-CG 3.23Å; I189-N193 PolarHBondContact O-N 3.1Å |
| 190 | V | 89.9 | Confident | 91.4 | Very high | 26 Ų | 26 | 55.3 Ų | 55.3 | 16% | 0.158 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.4 | -48.2 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | Q23 A186 L187 L192 N193 A194 | Q23-V190 HydrophobicContact CG-CG1 4.12Å; A186-V190 PolarHBondContact O-N 2.81Å; A186-V190 VanDerWaalsContact O-N 3.14Å; L187-V190 WeakPolarHBondContact O-CB 3.31Å; L187-V190 PolarHBondContact O-N 3.04Å; L187-V190 VanDerWaalsContact O-N 3.11Å; V190-L192 PolarHBondContact O-N 2.87Å; V190-N193 PolarHBondContact O-N 3.18Å; V190-A194 WeakPolarHBondContact O-CB 3.45Å; V190-A194 PolarHBondContact O-N 3.18Å |
| 191 | V | 93.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 55.9 Ų | 55.9 | 9% | 0.085 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.4 | -43.3 | 178.2 | 169.7 | 0 | 0 | 0 | 0 | 111.3 | F20 Q23 L24 L187 Q188 I189 R195 | F20-V191 HydrophobicContact CD2-CG1 4.43Å; F20-V191 HydrophobicContact CE2-CG1 3.76Å; Q23-V191 HydrophobicContact CB-CG2 3.77Å; L24-V191 HydrophobicContact CD2-CG1 3.54Å; L24-V191 HydrophobicContact CD2-CG2 4.49Å; L24-V191 HydrophobicContact CG-CG1 4.19Å; L187-V191 WeakPolarHBondContact O-CG2 3.39Å; L187-V191 PolarHBondContact O-N 2.82Å; Q188-V191 PolarHBondContact O-N 3.22Å; I189-V191 PolarHBondContact O-N 3.32Å; V191-R195 WeakPolarHBondContact O-CB 3.18Å; V191-R195 PolarHBondContact O-N 3.44Å |
| 192 | L | 92.2 | Very high | 90.9 | Very high | 81 Ų | 81 | 57.6 Ų | 57.6 | 42% | 0.424 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 177.9 | -74.6 | 173.2 | 0 | 0 | 0 | 111.8 | Q188 I189 V190 R195 Q196 | Q188-L192 WeakPolarHBondContact O-CB 3.29Å; Q188-L192 WeakPolarHBondContact O-CG 3.45Å; Q188-L192 PolarHBondContact O-N 3.25Å; I189-L192 PolarHBondContact O-N 3.21Å; V190-L192 PolarHBondContact O-N 2.87Å; L192-R195 PolarHBondContact O-N 3.37Å; L192-Q196 WeakPolarHBondContact O-CG 3.41Å; L192-Q196 PolarHBondContact O-N 3.33Å |
| 193 | N | 90.3 | Very high | 90.8 | Very high | 66 Ų | 66 | 64.4 Ų | 64.4 | 35% | 0.353 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -65.5 | -46.3 | 178.1 | -70.8 | -10.4 | 0 | 0 | 0 | 111.4 | I189 V190 R195 Q196 E197 | I189-N193 WeakPolarHBondContact O-CB 3.21Å; I189-N193 VanDerWaalsContact O-CG 3.23Å; I189-N193 PolarHBondContact O-N 3.1Å; V190-N193 PolarHBondContact O-N 3.18Å; N193-R195 VanDerWaalsContact C-N 3.33Å; N193-R195 PolarHBondContact O-N 3.4Å; N193-Q196 PolarHBondContact O-N 2.88Å; N193-Q196 VanDerWaalsContact O-N 3.16Å; N193-E197 PolarHBondContact O-N 2.87Å |
| 194 | A | 90.7 | Very high | 90.6 | Very high | 13 Ų | 13 | 64.6 Ų | 64.6 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -59.3 | -43.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y19 F20 V190 Q196 E197 L198 | Y19-A194 HydrophobicContact CE1-CB 4.39Å; F20-A194 HydrophobicContact CB-CB 4.4Å; F20-A194 HydrophobicContact CD2-CB 4.02Å; V190-A194 WeakPolarHBondContact O-CB 3.45Å; V190-A194 PolarHBondContact O-N 3.18Å; A194-Q196 PolarHBondContact O-N 2.93Å; A194-E197 PolarHBondContact O-N 2.85Å; A194-L198 WeakPolarHBondContact O-CB 3.42Å; A194-L198 PolarHBondContact O-N 3.48Å |
| 195 | R | 92.9 | Very high | 89.8 | Confident | 144 Ų | 144 | 67 Ų | 67 | 54% | 0.543 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.6 | -42 | 175.1 | -172.1 | 177.8 | 69 | 152.1 | -0.6 | 112.5 | F20 V191 L192 N193 E197 K199 | F20-R195 HydrophobicContact CD2-CB 4.38Å; F20-R195 HydrophobicContact CE2-CB 3.77Å; F20-R195 HydrophobicContact CE2-CG 4.37Å; F20-R195 HydrophobicContact CZ-CB 4.28Å; F20-R195 HydrophobicContact CZ-CG 4.39Å; V191-R195 WeakPolarHBondContact O-CB 3.18Å; V191-R195 PolarHBondContact O-N 3.44Å; L192-R195 PolarHBondContact O-N 3.37Å; N193-R195 VanDerWaalsContact C-N 3.33Å; N193-R195 PolarHBondContact O-N 3.4Å; R195-E197 VanDerWaalsContact C-N 3.34Å; R195-K199 WeakPolarHBondContact O-CB 3.47Å; R195-K199 PolarHBondContact O-N 3.49Å |
| 196 | Q | 91.7 | Very high | 88.7 | Confident | 106 Ų | 106 | 72 Ų | 72 | 50% | 0.495 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 177.7 | -75.3 | 179 | -2.6 | 0 | 0 | 111.8 | L192 N193 A194 K199 R200 | L192-Q196 WeakPolarHBondContact O-CG 3.41Å; L192-Q196 PolarHBondContact O-N 3.33Å; N193-Q196 PolarHBondContact O-N 2.88Å; N193-Q196 VanDerWaalsContact O-N 3.16Å; A194-Q196 PolarHBondContact O-N 2.93Å; Q196-K199 PolarHBondContact O-N 3.06Å; Q196-R200 WeakPolarHBondContact O-CG 3.13Å; Q196-R200 PolarHBondContact O-N 2.91Å; Q196-R200 PolarHBondContact O-NE 3.43Å |
| 197 | E | 90.3 | Very high | 87.3 | Confident | 75 Ų | 75 | 74.1 Ų | 74.1 | 35% | 0.35 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.5 | -50 | 176.1 | -171.5 | 172 | 175.8 | 0 | 0 | 111.8 | K16 N193 A194 R195 K199 R200 D201 | K16-E197 WeakPolarHBondContact CE-OE1 3.46Å; K16-E197 IonicContact NZ-OE1 2.73Å; K16-E197 PolarHBondContact NZ-OE1 2.98Å; N193-E197 PolarHBondContact O-N 2.87Å; A194-E197 PolarHBondContact O-N 2.85Å; R195-E197 VanDerWaalsContact C-N 3.34Å; E197-K199 VanDerWaalsContact C-N 3.28Å; E197-K199 PolarHBondContact O-N 3.19Å; E197-R200 WeakPolarHBondContact O-CA 3.45Å; E197-R200 WeakPolarHBondContact O-CB 3.25Å; E197-R200 PolarHBondContact O-N 2.94Å; E197-D201 PolarHBondContact O-N 3.39Å |
| 198 | L | 91.8 | Very high | 85.7 | Confident | 25 Ų | 25 | 77.9 Ų | 77.9 | 13% | 0.131 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -56.2 | -43.1 | 175.7 | -170.7 | 74.5 | 0 | 0 | 0 | 111.8 | L13 K16 L17 A194 R200 D201 L202 | L13-L198 HydrophobicContact CD1-CD1 3.52Å; L13-L198 HydrophobicContact CG-CD1 4.22Å; K16-L198 HydrophobicContact CB-CD1 4.48Å; L17-L198 HydrophobicContact CB-CD1 4.28Å; L17-L198 HydrophobicContact CD1-CD2 3.84Å; A194-L198 WeakPolarHBondContact O-CB 3.42Å; A194-L198 PolarHBondContact O-N 3.48Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.87Å; L198-D201 PolarHBondContact O-N 2.93Å; L198-L202 HydrophobicContact CG-CD1 4.26Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 WeakPolarHBondContact O-CG 3.29Å; L198-L202 PolarHBondContact O-N 2.92Å |
| 199 | K | 91.8 | Very high | 83.5 | Confident | 153 Ų | 153 | 80 Ų | 80 | 67% | 0.665 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -65.1 | -34 | 176.6 | -174 | 176.5 | -179.1 | 179.4 | 0 | 112.8 | R195 Q196 E197 R203 | R195-K199 WeakPolarHBondContact O-CB 3.47Å; R195-K199 PolarHBondContact O-N 3.49Å; Q196-K199 PolarHBondContact O-N 3.06Å; E197-K199 VanDerWaalsContact C-N 3.28Å; E197-K199 PolarHBondContact O-N 3.19Å; K199-R203 PolarHBondContact O-N 3.07Å |
| 200 | R | 90.9 | Very high | 81 | Confident | 106 Ų | 106 | 81.2 Ų | 81.2 | 40% | 0.4 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -68.8 | -45.4 | 175.5 | -79.2 | -176.5 | -88.6 | 104.2 | -7.5 | 110.6 | Q196 E197 L198 R203 N204 | Q196-R200 WeakPolarHBondContact O-CG 3.13Å; Q196-R200 PolarHBondContact O-N 2.91Å; Q196-R200 PolarHBondContact O-NE 3.43Å; E197-R200 WeakPolarHBondContact O-CA 3.45Å; E197-R200 WeakPolarHBondContact O-CB 3.25Å; E197-R200 PolarHBondContact O-N 2.94Å; L198-R200 VanDerWaalsContact C-N 3.32Å; L198-R200 PolarHBondContact O-N 2.87Å; R200-R203 PolarHBondContact O-N 3.47Å; R200-N204 PolarHBondContact O-N 2.77Å; R200-N204 VanDerWaalsContact O-N 3.08Å; R200-N204 PolarHBondContact O-ND2 3.02Å; R200-N204 PolarHBondContact O-OD1 2.78Å |
| 201 | D | 88.6 | Confident | 79.3 | Confident | 35 Ų | 35 | 86 Ų | 86 | 19% | 0.187 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -67.5 | -40.2 | -177.4 | -65.4 | -11.6 | 0 | 0 | 0 | 111.7 | L13 K16 E197 L198 R203 N204 N205 | L13-D201 HydrophobicContact CD1-CB 3.87Å; K16-D201 WeakPolarHBondContact CD-OD2 3.46Å; K16-D201 IonicContact NZ-OD2 2.72Å; K16-D201 PolarHBondContact NZ-OD2 3.4Å; E197-D201 PolarHBondContact O-N 3.39Å; L198-D201 PolarHBondContact O-N 2.93Å; D201-R203 PolarHBondContact O-N 3.27Å; D201-N204 PolarHBondContact O-N 3.05Å; D201-N205 PolarHBondContact O-N 3.4Å; D201-N205 VanDerWaalsContact O-N 3.07Å |
| 202 | L | 88.2 | Confident | 76.9 | Confident | 80 Ų | 80 | 93.8 Ų | 93.8 | 42% | 0.419 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -58.4 | -46.8 | 172.1 | -76.3 | 168.2 | 0 | 0 | 0 | 112.3 | L13 L198 N204 N205 D206 | L13-L202 HydrophobicContact CD1-CG 4.43Å; L13-L202 HydrophobicContact CD2-CD2 3.71Å; L13-L202 HydrophobicContact CD2-CG 4.39Å; L198-L202 HydrophobicContact CG-CD1 4.26Å; L198-L202 WeakPolarHBondContact O-CB 3.48Å; L198-L202 WeakPolarHBondContact O-CG 3.29Å; L198-L202 PolarHBondContact O-N 2.92Å; L202-N204 VanDerWaalsContact C-N 3.28Å; L202-N204 PolarHBondContact O-N 3.11Å; L202-N205 PolarHBondContact O-N 3.25Å; L202-D206 PolarHBondContact O-N 3.09Å; L202-D206 VanDerWaalsContact O-N 3.15Å |
| 203 | R | 89.1 | Confident | 74.4 | Confident | 148 Ų | 148 | 94.8 Ų | 94.8 | 56% | 0.558 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64 | -33.8 | 179 | -171.5 | 179.6 | 71.7 | -106.1 | 3.1 | 112.6 | K199 R200 D201 G207 | K199-R203 PolarHBondContact O-N 3.07Å; R200-R203 PolarHBondContact O-N 3.47Å; D201-R203 PolarHBondContact O-N 3.27Å; R203-G207 PolarHBondContact O-N 2.93Å |
| 204 | N | 84.9 | Confident | 71.9 | Confident | 98 Ų | 98 | 98.9 Ų | 98.9 | 52% | 0.524 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.5 | -33.7 | -179.9 | -66.3 | -19.2 | 0 | 0 | 0 | 111.9 | R200 D201 L202 | R200-N204 PolarHBondContact O-N 2.77Å; R200-N204 VanDerWaalsContact O-N 3.08Å; R200-N204 PolarHBondContact O-ND2 3.02Å; R200-N204 PolarHBondContact O-OD1 2.78Å; D201-N204 PolarHBondContact O-N 3.05Å; L202-N204 VanDerWaalsContact C-N 3.28Å; L202-N204 PolarHBondContact O-N 3.11Å |
| 205 | N | 77.1 | Confident | 69.5 | Low | 59 Ų | 59 | 103.1 Ų | 103.1 | 32% | 0.316 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -70.1 | -39.9 | 174.5 | -90.1 | -17 | 0 | 0 | 0 | 112.2 | S9 D201 L202 G207 S208 | S9-N205 PolarHBondContact OG-ND2 2.73Å; S9-N205 PolarHBondContact OG-OD1 2.72Å; D201-N205 PolarHBondContact O-N 3.4Å; D201-N205 VanDerWaalsContact O-N 3.07Å; L202-N205 PolarHBondContact O-N 3.25Å; N205-G207 PolarHBondContact O-N 3.02Å; N205-S208 PolarHBondContact O-N 3.41Å |
| 206 | D | 67.8 | Low | 67.1 | Low | 128 Ų | 128 | 102.1 Ų | 102.1 | 68% | 0.684 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -63.5 | -26.5 | 177.8 | -70.3 | -21.7 | 0 | 0 | 0 | 113.1 | L202 | L202-D206 PolarHBondContact O-N 3.09Å; L202-D206 VanDerWaalsContact O-N 3.15Å |
| 207 | G | 59.5 | Low | 64.5 | Low | 67 Ų | 67 | 102 Ų | 102 | 69% | 0.691 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.1 | -11.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | R203 N205 | R203-G207 PolarHBondContact O-N 2.93Å; N205-G207 PolarHBondContact O-N 3.02Å |
| 208 | S | 55.3 | Low | 61.9 | Low | 99 Ų | 99 | 101.8 Ų | 101.8 | 69% | 0.692 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -11.8 | -178 | -171 | 0 | 0 | 0 | 0 | 113.7 | N205 | N205-S208 PolarHBondContact O-N 3.41Š|
| 209 | T | 47.2 | Very low | 59.2 | Low | 118 Ų | 118 | 108.1 Ų | 108.1 | 72% | 0.724 | 66% | 0.664 | S | S | * | * | S | Bend | trans | -107 | 69.4 | -179.7 | 19 | 0 | 0 | 0 | 0 | 111.5 | ||
| 210 | G | 37.7 | Very low | 56.5 | Low | 65 Ų | 65 | 107.1 Ų | 107.1 | 67% | 0.67 | 67% | 0.666 | S | S | * | * | trans | -169.6 | 111.1 | 167.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 211 | P | 53.7 | Low | 54 | Low | 125 Ų | 125 | 109.4 Ų | 109.4 | 81% | 0.812 | 68% | 0.681 | S | S | * | * | trans | -92 | 126.3 | 156.8 | 30.7 | -21.2 | 0 | 0 | 0 | 111.3 | ||||
| 212 | E | 43.6 | Very low | 51.7 | Low | 179 Ų | 179 | 115.9 Ų | 115.9 | 84% | 0.836 | 71% | 0.707 | S | S | * | * | trans | 48.3 | 122.2 | 153.6 | -62.6 | -168.8 | 152.8 | 0 | 0 | 122.1 | ||||
| 213 | A | 38.8 | Very low | 49.3 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 84% | 0.843 | 73% | 0.728 | S | S | * | * | -151.3 | 109.2 | 123.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 214 | N | 38.6 | Very low | 46.9 | Very low | 152 Ų | 152 | 122.1 Ų | 122.1 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | -65.6 | 134.1 | 163.5 | -70.5 | -49.8 | 0 | 0 | 0 | 109.9 | ||||
| 215 | A | 40.2 | Very low | 44.5 | Very low | 102 Ų | 102 | 123.9 Ų | 123.9 | 84% | 0.843 | 75% | 0.75 | S | S | * | * | trans | -147.6 | 101.6 | 154.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 216 | S | 42.9 | Very low | 43.1 | Very low | 123 Ų | 123 | 127.5 Ų | 127.5 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -64.9 | 127.9 | 162.4 | 50.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 217 | A | 37.6 | Very low | 42.5 | Very low | 104 Ų | 104 | 126.4 Ų | 126.4 | 86% | 0.86 | 77% | 0.774 | S | S | * | * | trans | -170.3 | 118.5 | 147 | 0 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 218 | G | 34.1 | Very low | 41.7 | Very low | 69 Ų | 69 | 128.6 Ų | 128.6 | 71% | 0.711 | 78% | 0.779 | S | S | * | * | 112 | 93.7 | 53.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | |||||
| 219 | L | 36.2 | Very low | 41.2 | Very low | 159 Ų | 159 | 127.1 Ų | 127.1 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 43.9 | 135.7 | 144.5 | -69.1 | 154.2 | 0 | 0 | 0 | 121.4 | ||||
| 220 | N | 34.2 | Very low | 41.1 | Very low | 131 Ų | 131 | 128.7 Ų | 128.7 | 70% | 0.701 | 78% | 0.777 | S | S | * | * | trans | 82.7 | 110.4 | 137.6 | -82 | 6.6 | 0 | 0 | 0 | 119.7 | ||||
| 221 | E | 38.9 | Very low | 41.6 | Very low | 154 Ų | 154 | 135.2 Ų | 135.2 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | 160.3 | 130.2 | 98.3 | -100.2 | 171.1 | -160.7 | 0 | 0 | 113.8 | |||||
| 222 | K | 41 | Very low | 41.5 | Very low | 172 Ų | 172 | 134.8 Ų | 134.8 | 75% | 0.748 | 79% | 0.79 | S | S | * | * | trans | 56.3 | 110.4 | 137.1 | -66.6 | 174.8 | 179.4 | 171.7 | 0 | 121.5 | ||||
| 223 | E | 37.3 | Very low | 41.6 | Very low | 180 Ų | 180 | 138.1 Ų | 138.1 | 84% | 0.841 | 81% | 0.812 | S | S | * | * | 21.8 | 109.6 | 105.5 | -158.8 | 165.9 | -153.4 | 0 | 0 | 117.3 | |||||
| 224 | E | 37.4 | Very low | 41.8 | Very low | 178 Ų | 178 | 139.9 Ų | 139.9 | 83% | 0.832 | 81% | 0.81 | S | S | * | * | 179.1 | 127.9 | 115 | -98.8 | -173.8 | 177.4 | 0 | 0 | 111.9 | |||||
| 225 | D | 36.6 | Very low | 41.9 | Very low | 135 Ų | 135 | 139.3 Ų | 139.3 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | 54 | 120.8 | 130.7 | -143.8 | 17.8 | 0 | 0 | 0 | 121.6 | ||||
| 226 | V | 47.5 | Very low | 42 | Very low | 136 Ų | 136 | 141.3 Ų | 141.3 | 82% | 0.824 | 81% | 0.808 | S | S | * | * | -161.8 | 128.6 | 122.4 | 175.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 227 | P | 54.2 | Low | 42 | Very low | 104 Ų | 104 | 142.4 Ų | 142.4 | 68% | 0.675 | 81% | 0.805 | S | S | * | * | trans | -95 | 140.7 | 165.4 | 35.4 | -27.6 | 0 | 0 | 0 | 111.3 | ||||
| 228 | S | 42.8 | Very low | 42.3 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -167.4 | 103.6 | 160.1 | -151.6 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 229 | A | 45.6 | Very low | 42.8 | Very low | 68 Ų | 68 | 149.9 Ų | 149.9 | 56% | 0.562 | 81% | 0.808 | S | S | * | * | 93.5 | 109 | 82.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 230 | N | 44 | Very low | 43.3 | Very low | 151 Ų | 151 | 149.2 Ų | 149.2 | 81% | 0.807 | 81% | 0.806 | S | S | * | * | 60.5 | 107.5 | 128.3 | -35.4 | -22 | 0 | 0 | 0 | 118.2 | |||||
| 231 | E | 48.8 | Very low | 44 | Very low | 201 Ų | 201 | 150.6 Ų | 150.6 | 94% | 0.939 | 81% | 0.814 | S | S | * | * | trans | -125.6 | 130.1 | 137.5 | -89.3 | -172.6 | 159.1 | 0 | 0 | 109.6 | ||||
| 232 | S | 50.7 | Low | 44.4 | Very low | 117 Ų | 117 | 150.3 Ų | 150.3 | 82% | 0.818 | 82% | 0.822 | S | S | * | * | trans | -78.9 | 160.6 | -169.3 | -58.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 233 | L | 47.1 | Very low | 44.7 | Very low | 248 Ų | 248 | 148.4 Ų | 148.4 | 100% | 1.298 | 83% | 0.829 | S | S | * | * | trans | -46.8 | 0 | 162 | -76.8 | 152.2 | 0 | 0 | 0 | 113.9 |
Retrieved 233 of 233 residues in 249.5 ms
(Link to these results)