| 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 | 50.7 | Low | 58.1 | Low | 231 Ų | 231 | 131 Ų | 131 | 100% | 1.138 | 67% | 0.665 | S | S | * | * | 0 | 139.2 | 0 | -57.1 | 176 | 90.7 | 0 | 0 | 108.4 | |||||
| 2 | P | 64.3 | Low | 60.4 | Low | 126 Ų | 126 | 130.8 Ų | 130.8 | 82% | 0.818 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -59.9 | 146.2 | 170.9 | -20.5 | 33.1 | 0 | 0 | 0 | 110.9 | ||
| 3 | R | 55.7 | Low | 62.6 | Low | 230 Ų | 230 | 130.2 Ų | 130.2 | 87% | 0.868 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -78 | 134.2 | 167.4 | -70.3 | -176.5 | 177.7 | 177.9 | 0.1 | 108.5 | ||
| 4 | P | 58.8 | Low | 64.5 | Low | 78 Ų | 78 | 122.1 Ų | 122.1 | 51% | 0.506 | 61% | 0.611 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 152.9 | 170.6 | -28.1 | 34.7 | 0 | 0 | 0 | 112.8 | T8 Y9 | P4-T8 WeakPolarHBondContact CB-OG1 3.44Å; P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 WeakPolarHBondContact O-CE2 3.26Å |
| 5 | G | 55 | Low | 66.2 | Low | 47 Ų | 47 | 120.5 Ų | 120.5 | 49% | 0.485 | 61% | 0.613 | S | S | . | * | P | Polyproline II helix | trans | -64.3 | 151 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | N7 T8 Y9 | G5-N7 PolarHBondContact O-N 3.22Å; G5-T8 PolarHBondContact O-N 2.85Å; G5-T8 VanDerWaalsContact O-N 3.09Å; G5-T8 PolarHBondContact O-OG1 3.39Å; G5-T8 VanDerWaalsContact O-OG1 3.08Å; G5-Y9 WeakPolarHBondContact O-CD2 3.28Å |
| 6 | R | 55.1 | Low | 67.8 | Low | 232 Ų | 232 | 117.5 Ų | 117.5 | 88% | 0.875 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -47.1 | -33.4 | -179.4 | -105.3 | -177.9 | 175.5 | 176.4 | -1 | 113.7 | ||
| 7 | N | 52.4 | Low | 69.4 | Low | 140 Ų | 140 | 112.9 Ų | 112.9 | 75% | 0.749 | 57% | 0.574 | S | S | * | * | G | 310 helix | trans | -79.7 | -19.3 | -171.3 | -56.3 | 2.5 | 0 | 0 | 0 | 113.4 | G5 Y9 S10 | G5-N7 PolarHBondContact O-N 3.22Å; N7-Y9 PolarHBondContact O-N 2.87Å; N7-S10 PolarHBondContact O-OG 3.36Å |
| 8 | T | 54 | Low | 70.8 | Confident | 79 Ų | 79 | 109.3 Ų | 109.3 | 49% | 0.485 | 55% | 0.553 | S | S | . | * | G | 310 helix | trans | -81.8 | 2.7 | 176.4 | 60.6 | 0 | 0 | 0 | 0 | 113.1 | P4 G5 Q12 | P4-T8 WeakPolarHBondContact CB-OG1 3.44Å; G5-T8 PolarHBondContact O-N 2.85Å; G5-T8 VanDerWaalsContact O-N 3.09Å; G5-T8 PolarHBondContact O-OG1 3.39Å; G5-T8 VanDerWaalsContact O-OG1 3.08Å; T8-Q12 WeakPolarHBondContact O-CG 3.3Å |
| 9 | Y | 55.1 | Low | 72.1 | Confident | 126 Ų | 126 | 105.3 Ų | 105.3 | 49% | 0.494 | 53% | 0.532 | S | S | . | . | G | 310 helix | trans | -99.1 | -11.5 | -178.6 | -71.2 | -78.9 | 0 | 0 | 0 | 114.2 | P4 G5 N7 D11 | P4-Y9 HydrophobicContact CB-CE2 4.04Å; P4-Y9 WeakPolarHBondContact O-CE2 3.26Å; G5-Y9 WeakPolarHBondContact O-CD2 3.28Å; N7-Y9 PolarHBondContact O-N 2.87Å; Y9-D11 VanDerWaalsContact C-N 3.25Å; Y9-D11 PolarHBondContact O-N 3.35Å |
| 10 | S | 62.2 | Low | 73.2 | Confident | 50 Ų | 50 | 100.2 Ų | 100.2 | 35% | 0.35 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -65.1 | -32.5 | 175.3 | 48.3 | 0 | 0 | 0 | 0 | 112.9 | N7 Y49 | N7-S10 PolarHBondContact O-OG 3.36Å; S10-Y49 PolarHBondContact O-N 3.07Å |
| 11 | D | 75.5 | Confident | 74.3 | Confident | 102 Ų | 102 | 95.4 Ų | 95.4 | 55% | 0.545 | 48% | 0.482 | S | S | . | . | S | Bend | trans | -104.7 | 2 | -170.5 | -39.4 | -26.1 | 0 | 0 | 0 | 110.8 | Y9 Y49 | Y9-D11 VanDerWaalsContact C-N 3.25Å; Y9-D11 PolarHBondContact O-N 3.35Å; D11-Y49 VanDerWaalsContact O-CD2 3.27Å; D11-Y49 WeakPolarHBondContact O-CD2 3.16Å |
| 12 | Q | 85.6 | Confident | 76.4 | Confident | 128 Ų | 128 | 84.4 Ų | 84.4 | 60% | 0.598 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -86.7 | 139.5 | 169.9 | -71.7 | -63.4 | -29.5 | 0 | 0 | 110 | T8 P14 | T8-Q12 WeakPolarHBondContact O-CG 3.3Å; Q12-P14 VanDerWaalsContact O-CD 3.29Å; Q12-P14 WeakPolarHBondContact O-CD 3.21Å |
| 13 | K | 88.8 | Confident | 77.9 | Confident | 123 Ų | 123 | 78.4 Ų | 78.4 | 54% | 0.535 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -58.2 | 119.7 | -179.6 | -176.5 | 174.6 | 179.1 | 179.5 | 0 | 110.5 | Y49 | K13-Y49 HydrophobicContact CB-CD1 4.22Å; K13-Y49 HydrophobicContact CB-CD2 4.48Å; K13-Y49 HydrophobicContact CB-CE1 3.75Å; K13-Y49 HydrophobicContact CB-CE2 4.04Å; K13-Y49 HydrophobicContact CD-CE1 4.14Å; K13-Y49 HydrophobicContact CG-CD1 4.21Å; K13-Y49 HydrophobicContact CG-CE1 3.58Å |
| 14 | P | 90.3 | Very high | 79.8 | Confident | 17 Ų | 17 | 68.5 Ų | 68.5 | 11% | 0.11 | 35% | 0.353 | C | S | . | . | P | Polyproline II helix | trans | -59.2 | 148.1 | -179.6 | -25.7 | 34.8 | 0 | 0 | 0 | 112.4 | Q12 Y16 F47 Y50 | Q12-P14 VanDerWaalsContact O-CD 3.29Å; Q12-P14 WeakPolarHBondContact O-CD 3.21Å; P14-Y16 HydrophobicContact CB-CD2 3.73Å; P14-Y16 HydrophobicContact CB-CE2 4.39Å; P14-Y16 PolarHBondContact O-N 3.39Å; P14-F47 HydrophobicContact CB-CD1 3.97Å; P14-F47 HydrophobicContact CB-CE1 4.1Å; P14-F47 HydrophobicContact CG-CB 3.97Å; P14-F47 HydrophobicContact CG-CD1 3.48Å; P14-F47 VanDerWaalsContact CG-CD1 3.48Å; P14-F47 HydrophobicContact CG-CE1 4.13Å; P14-F47 HydrophobicContact CG-CG 3.83Å; P14-Y50 HydrophobicContact CG-CE2 4.04Å |
| 15 | P | 89.8 | Confident | 81.5 | Confident | 98 Ų | 98 | 64.8 Ų | 64.8 | 64% | 0.636 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -74.8 | 29.5 | -178.3 | 33 | -37.5 | 0 | 0 | 0 | 113.7 | ||
| 16 | Y | 92.3 | Very high | 83.4 | Confident | 73 Ų | 73 | 62.6 Ų | 62.6 | 29% | 0.286 | 31% | 0.306 | S | S | . | . | trans | -110.6 | 143.2 | -174.4 | -61.5 | -55.2 | 0 | 0 | 0 | 111.2 | P14 L21 M24 F47 F102 | P14-Y16 HydrophobicContact CB-CD2 3.73Å; P14-Y16 HydrophobicContact CB-CE2 4.39Å; P14-Y16 PolarHBondContact O-N 3.39Å; Y16-L21 HydrophobicContact CD2-CD2 4.41Å; Y16-M24 HydrophobicContact CD1-CE 4.14Å; Y16-M24 HydrophobicContact CD2-CE 3.88Å; Y16-M24 HydrophobicContact CE1-CE 4.49Å; Y16-M24 HydrophobicContact CE2-CE 4.25Å; Y16-M24 HydrophobicContact CG-CE 3.83Å; Y16-F47 AromaticContact CD2-CE1 3.95Å; Y16-F47 HydrophobicContact CD2-CE1 3.95Å; Y16-F47 AromaticContact CD2-CZ 3.7Å; Y16-F47 HydrophobicContact CD2-CZ 3.7Å; Y16-F47 AromaticContact CE2-CE1 3.82Å; Y16-F47 HydrophobicContact CE2-CE1 3.82Å; Y16-F47 AromaticContact CE2-CZ 3.72Å; Y16-F47 HydrophobicContact CE2-CZ 3.72Å; Y16-F102 HydrophobicContact CD1-CB 3.9Å; Y16-F102 HydrophobicContact CE1-CB 3.81Å | ||
| 17 | S | 94 | Very high | 85.2 | Confident | 40 Ų | 40 | 53.6 Ų | 53.6 | 28% | 0.28 | 27% | 0.274 | S | S | . | . | trans | -79.8 | 161 | 171.1 | 76.2 | 0 | 0 | 0 | 0 | 110.5 | I19 S20 L21 | S17-I19 PolarHBondContact O-N 2.98Å; S17-I19 PolarHBondContact OG-N 3.45Å; S17-S20 PolarHBondContact N-OG 3.01Å; S17-S20 WeakPolarHBondContact O-CA 3.42Å; S17-S20 VanDerWaalsContact O-CB 3.3Å; S17-S20 WeakPolarHBondContact O-CB 3.4Å; S17-S20 PolarHBondContact O-N 3.28Å; S17-S20 PolarHBondContact OG-N 3.12Å; S17-S20 PolarHBondContact OG-OG 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.43Å; S17-L21 PolarHBondContact O-N 3.29Å | ||
| 18 | Y | 95.7 | Very high | 87.2 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -58.1 | -32.1 | 172.3 | -64.4 | -59.7 | 0 | 0 | 0 | 112.3 | L21 T22 Y50 W57 L61 | Y18-L21 HydrophobicContact CD1-CD1 4.08Å; Y18-L21 PolarHBondContact O-N 3.34Å; Y18-T22 WeakPolarHBondContact O-CB 3.47Å; Y18-T22 PolarHBondContact O-N 3.43Å; Y18-T22 PolarHBondContact O-OG1 2.93Å; Y18-T22 VanDerWaalsContact O-OG1 3.09Å; Y18-Y50 HydrophobicContact CE1-CE1 4.13Å; Y18-W57 HydrophobicContact CE1-CB 4.15Å; Y18-L61 HydrophobicContact CD1-CB 4.37Å; Y18-L61 HydrophobicContact CD1-CD1 4.42Å |
| 19 | I | 94.5 | Very high | 89 | Confident | 33 Ų | 33 | 47.3 Ų | 47.3 | 17% | 0.169 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 172.5 | -51.4 | 174.9 | 0 | 0 | 0 | 110 | S17 L21 T22 A23 N68 C70 F71 F97 | S17-I19 PolarHBondContact O-N 2.98Å; S17-I19 PolarHBondContact OG-N 3.45Å; I19-L21 PolarHBondContact O-N 3.04Å; I19-T22 PolarHBondContact O-N 3.33Å; I19-A23 VanDerWaalsContact O-CB 3.31Å; I19-A23 WeakPolarHBondContact O-CB 3.37Å; I19-A23 PolarHBondContact O-N 3.25Å; I19-N68 HydrophobicContact CD1-CB 4.36Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.5Å; I19-C70 HydrophobicContact CG2-CB 4.47Å; I19-F71 HydrophobicContact CB-CE2 4.26Å; I19-F71 HydrophobicContact CB-CZ 4.3Å; I19-F71 HydrophobicContact CG1-CE2 4.35Å; I19-F71 HydrophobicContact CG2-CE2 3.86Å; I19-F71 HydrophobicContact CG2-CZ 3.72Å; I19-F97 HydrophobicContact CG2-CE1 4.46Å; I19-F97 HydrophobicContact CG2-CZ 3.83Å |
| 20 | S | 94.2 | Very high | 90.8 | Very high | 2 Ų | 2 | 47 Ų | 47 | 1% | 0.014 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.7 | -42.7 | 177.4 | -44.1 | 0 | 0 | 0 | 0 | 112.5 | S17 A23 M24 F102 | S17-S20 PolarHBondContact N-OG 3.01Å; S17-S20 WeakPolarHBondContact O-CA 3.42Å; S17-S20 VanDerWaalsContact O-CB 3.3Å; S17-S20 WeakPolarHBondContact O-CB 3.4Å; S17-S20 PolarHBondContact O-N 3.28Å; S17-S20 PolarHBondContact OG-N 3.12Å; S17-S20 PolarHBondContact OG-OG 3.23Å; S20-A23 PolarHBondContact O-N 3.29Å; S20-M24 WeakPolarHBondContact O-CE 3.34Å; S20-M24 WeakPolarHBondContact O-CG 3.47Å; S20-M24 PolarHBondContact O-N 3.26Å; S20-F102 WeakPolarHBondContact CB-O 3.45Å; S20-F102 PolarHBondContact OG-O 3.49Å |
| 21 | L | 95.4 | Very high | 92.3 | Very high | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -64.2 | -47.1 | 179.4 | -69.5 | 170.6 | 0 | 0 | 0 | 111.5 | Y16 S17 Y18 I19 M24 A25 I43 F47 Y50 | Y16-L21 HydrophobicContact CD2-CD2 4.41Å; S17-L21 WeakPolarHBondContact O-CG 3.43Å; S17-L21 PolarHBondContact O-N 3.29Å; Y18-L21 HydrophobicContact CD1-CD1 4.08Å; Y18-L21 PolarHBondContact O-N 3.34Å; I19-L21 PolarHBondContact O-N 3.04Å; L21-M24 HydrophobicContact CD2-CE 3.97Å; L21-M24 PolarHBondContact O-N 3.47Å; L21-A25 PolarHBondContact O-N 3.01Å; L21-A25 VanDerWaalsContact O-N 3.1Å; L21-I43 HydrophobicContact CB-CD1 3.81Å; L21-I43 HydrophobicContact CB-CG1 4.14Å; L21-F47 HydrophobicContact CD2-CD2 3.67Å; L21-F47 HydrophobicContact CD2-CE2 3.38Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å |
| 22 | T | 96.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 175.1 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | Y18 I19 A25 I26 I39 L65 F71 | Y18-T22 WeakPolarHBondContact O-CB 3.47Å; Y18-T22 PolarHBondContact O-N 3.43Å; Y18-T22 PolarHBondContact O-OG1 2.93Å; Y18-T22 VanDerWaalsContact O-OG1 3.09Å; I19-T22 PolarHBondContact O-N 3.33Å; T22-A25 WeakPolarHBondContact O-CB 3.31Å; T22-A25 PolarHBondContact O-N 3.24Å; T22-I26 HydrophobicContact CG2-CD1 3.68Å; T22-I26 HydrophobicContact CG2-CG1 4.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.23Å; T22-I26 PolarHBondContact O-N 3.49Å; T22-I39 HydrophobicContact CG2-CD1 4.25Å; T22-I39 HydrophobicContact CG2-CG2 4.31Å; T22-L65 HydrophobicContact CG2-CD2 3.7Å; T22-F71 HydrophobicContact CG2-CD1 3.79Å; T22-F71 HydrophobicContact CG2-CE1 3.31Å; T22-F71 HydrophobicContact CG2-CE2 4.36Å; T22-F71 HydrophobicContact CG2-CZ 3.64Å |
| 23 | A | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.6 | -47.3 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | I19 S20 A25 I26 Q27 L89 F97 | I19-A23 VanDerWaalsContact O-CB 3.31Å; I19-A23 WeakPolarHBondContact O-CB 3.37Å; I19-A23 PolarHBondContact O-N 3.25Å; S20-A23 PolarHBondContact O-N 3.29Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.36Å; A23-I26 PolarHBondContact O-N 3.11Å; A23-Q27 WeakPolarHBondContact O-CB 3.46Å; A23-Q27 WeakPolarHBondContact O-CG 3.07Å; A23-Q27 PolarHBondContact O-N 3.32Å; A23-L89 HydrophobicContact CB-CD1 4.34Å; A23-L89 HydrophobicContact CB-CD2 4.13Å; A23-F97 HydrophobicContact CB-CB 4.46Å; A23-F97 HydrophobicContact CB-CD1 3.9Å; A23-F97 HydrophobicContact CB-CD2 4.03Å; A23-F97 HydrophobicContact CB-CE1 4.1Å; A23-F97 HydrophobicContact CB-CE2 4.23Å; A23-F97 HydrophobicContact CB-CG 3.87Å; A23-F97 HydrophobicContact CB-CZ 4.26Å |
| 24 | M | 95.1 | Very high | 93.9 | Very high | 22 Ų | 22 | 43 Ų | 43 | 11% | 0.108 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59 | -40.5 | 174.6 | -75 | -174.6 | -74.3 | 0 | 0 | 112.6 | Y16 S20 L21 S28 F42 F47 F102 | Y16-M24 HydrophobicContact CD1-CE 4.14Å; Y16-M24 HydrophobicContact CD2-CE 3.88Å; Y16-M24 HydrophobicContact CE1-CE 4.49Å; Y16-M24 HydrophobicContact CE2-CE 4.25Å; Y16-M24 HydrophobicContact CG-CE 3.83Å; S20-M24 WeakPolarHBondContact O-CE 3.34Å; S20-M24 WeakPolarHBondContact O-CG 3.47Å; S20-M24 PolarHBondContact O-N 3.26Å; L21-M24 HydrophobicContact CD2-CE 3.97Å; L21-M24 PolarHBondContact O-N 3.47Å; M24-S28 WeakPolarHBondContact O-CB 3.44Å; M24-S28 PolarHBondContact O-N 3.04Å; M24-S28 VanDerWaalsContact O-N 3.16Å; M24-F42 HydrophobicContact CB-CE1 3.92Å; M24-F42 HydrophobicContact CB-CZ 4.12Å; M24-F47 HydrophobicContact CE-CE2 4.16Å; M24-F47 HydrophobicContact CE-CZ 4.07Å; M24-F102 HydrophobicContact CB-CE1 4.47Å; M24-F102 HydrophobicContact CG-CD1 3.5Å; M24-F102 VanDerWaalsContact CG-CD1 3.5Å; M24-F102 HydrophobicContact CG-CD2 4.24Å; M24-F102 HydrophobicContact CG-CE1 3.39Å; M24-F102 HydrophobicContact CG-CE2 4.16Å; M24-F102 HydrophobicContact CG-CG 3.94Å; M24-F102 HydrophobicContact CG-CZ 3.75Å; M24-F102 HydrophobicContact SD-CD1 4.25Å; M24-F102 HydrophobicContact SD-CD2 4.28Å; M24-F102 HydrophobicContact SD-CG 4.11Å |
| 25 | A | 96.1 | Very high | 94.2 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.9 | -54.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | L21 T22 A23 Q27 S28 L34 I39 F42 | L21-A25 PolarHBondContact O-N 3.01Å; L21-A25 VanDerWaalsContact O-N 3.1Å; T22-A25 WeakPolarHBondContact O-CB 3.31Å; T22-A25 PolarHBondContact O-N 3.24Å; A23-A25 VanDerWaalsContact C-N 3.32Å; A23-A25 PolarHBondContact O-N 3.36Å; A25-Q27 PolarHBondContact O-N 3.46Å; A25-S28 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-OG 2.96Å; A25-L34 HydrophobicContact CB-CD1 4.08Å; A25-L34 WeakPolarHBondContact O-CD1 3.5Å; A25-I39 HydrophobicContact CB-CG1 4.48Å; A25-I39 HydrophobicContact CB-CG2 4.45Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.49Å; A25-F42 VanDerWaalsContact CB-CD1 3.49Å; A25-F42 HydrophobicContact CB-CD2 4.45Å; A25-F42 HydrophobicContact CB-CE1 3.98Å; A25-F42 HydrophobicContact CB-CG 3.75Å |
| 26 | I | 95.1 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.6 Ų | 40.6 | 1% | 0.005 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.9 | -42 | -178.2 | -67.7 | 174.4 | 0 | 0 | 0 | 111.6 | T22 A23 S28 C29 K32 F71 W87 L89 | T22-I26 HydrophobicContact CG2-CD1 3.68Å; T22-I26 HydrophobicContact CG2-CG1 4.28Å; T22-I26 WeakPolarHBondContact O-CG1 3.23Å; T22-I26 PolarHBondContact O-N 3.49Å; A23-I26 PolarHBondContact O-N 3.11Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.31Å; I26-C29 WeakPolarHBondContact O-CB 3.21Å; I26-C29 PolarHBondContact O-N 3.11Å; I26-K32 WeakPolarHBondContact CG2-O 2.96Å; I26-F71 HydrophobicContact CD1-CD1 4.06Å; I26-F71 HydrophobicContact CD1-CE1 4.22Å; I26-W87 HydrophobicContact CD1-CB 4.49Å; I26-L89 HydrophobicContact CB-CG 4.42Å; I26-L89 HydrophobicContact CD1-CG 4.45Å; I26-L89 HydrophobicContact CG2-CD1 4.26Å; I26-L89 HydrophobicContact CG2-CG 4.06Å |
| 27 | Q | 92.8 | Very high | 94.8 | Very high | 44 Ų | 44 | 40.1 Ų | 40.1 | 21% | 0.206 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -66.1 | -29.3 | 178.1 | -75.4 | 176.4 | -47.3 | 0 | 0 | 113.2 | A23 A25 C29 K32 L89 F102 | A23-Q27 WeakPolarHBondContact O-CB 3.46Å; A23-Q27 WeakPolarHBondContact O-CG 3.07Å; A23-Q27 PolarHBondContact O-N 3.32Å; A25-Q27 PolarHBondContact O-N 3.46Å; Q27-C29 VanDerWaalsContact C-N 3.27Å; Q27-C29 PolarHBondContact O-N 3.23Å; Q27-K32 PolarHBondContact O-NZ 3.41Å; Q27-L89 HydrophobicContact CG-CD1 3.86Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å |
| 28 | S | 93 | Very high | 94.9 | Very high | 69 Ų | 69 | 41.6 Ų | 41.6 | 48% | 0.483 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.5 | -18.4 | 177.9 | 76.3 | 0 | 0 | 0 | 0 | 113.9 | M24 A25 I26 F42 | M24-S28 WeakPolarHBondContact O-CB 3.44Å; M24-S28 PolarHBondContact O-N 3.04Å; M24-S28 VanDerWaalsContact O-N 3.16Å; A25-S28 PolarHBondContact O-N 3.41Å; A25-S28 PolarHBondContact O-OG 2.96Å; I26-S28 VanDerWaalsContact C-N 3.29Å; I26-S28 PolarHBondContact O-N 3.31Å; S28-F42 WeakPolarHBondContact OG-CE2 3.47Å |
| 29 | C | 93.1 | Very high | 95 | Very high | 18 Ų | 18 | 39.3 Ų | 39.3 | 12% | 0.122 | 21% | 0.214 | C | C | . | . | S | Bend | trans | -80.6 | 136.5 | 172 | -173 | 0 | 0 | 0 | 0 | 110.4 | I26 Q27 E31 K32 M33 L34 | I26-C29 WeakPolarHBondContact O-CB 3.21Å; I26-C29 PolarHBondContact O-N 3.11Å; Q27-C29 VanDerWaalsContact C-N 3.27Å; Q27-C29 PolarHBondContact O-N 3.23Å; C29-E31 VanDerWaalsContact C-N 3.28Å; C29-E31 PolarHBondContact O-N 3.4Å; C29-K32 WeakPolarHBondContact O-CD 3.37Å; C29-K32 PolarHBondContact O-N 2.91Å; C29-M33 PolarHBondContact SG-O 3.08Å; C29-M33 VanDerWaalsContact SG-O 3.35Å; C29-L34 HydrophobicContact CB-CD1 4.4Å; C29-L34 HydrophobicContact CB-CD2 3.79Å; C29-L34 HydrophobicContact CB-CG 3.91Å |
| 30 | P | 93.1 | Very high | 95.1 | Very high | 118 Ų | 118 | 39.1 Ų | 39.1 | 77% | 0.766 | 21% | 0.211 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -35.2 | 173.1 | 25 | -33.5 | 0 | 0 | 0 | 112.2 | K32 | P30-K32 PolarHBondContact O-N 3.2Š|
| 31 | E | 92.6 | Very high | 95.3 | Very high | 128 Ų | 128 | 44.1 Ų | 44.1 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.8 | -5.8 | -179.2 | -55.3 | -177.2 | 160.8 | 0 | 0 | 114 | C29 M33 | C29-E31 VanDerWaalsContact C-N 3.28Å; C29-E31 PolarHBondContact O-N 3.4Å; E31-M33 HydrophobicContact CB-CG 4.23Å; E31-M33 PolarHBondContact O-N 3.17Å |
| 32 | K | 93.9 | Very high | 95.4 | Very high | 117 Ų | 117 | 45.6 Ų | 45.6 | 51% | 0.509 | 24% | 0.239 | S | C | . | . | S | Bend | trans | 51.4 | 24.8 | -176.3 | -52.2 | -61.1 | 168.8 | -177.1 | 0 | 114.6 | I26 Q27 C29 P30 A88 | I26-K32 WeakPolarHBondContact CG2-O 2.96Å; Q27-K32 PolarHBondContact O-NZ 3.41Å; C29-K32 WeakPolarHBondContact O-CD 3.37Å; C29-K32 PolarHBondContact O-N 2.91Å; P30-K32 PolarHBondContact O-N 3.2Å; K32-A88 WeakPolarHBondContact O-CB 3.39Å |
| 33 | M | 94.6 | Very high | 95.4 | Very high | 53 Ų | 53 | 45.6 Ų | 45.6 | 26% | 0.261 | 24% | 0.239 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 151.2 | 169.3 | 70.6 | -174 | 82.1 | 0 | 0 | 110.2 | C29 E31 I74 F86 W87 A88 | C29-M33 PolarHBondContact SG-O 3.08Å; C29-M33 VanDerWaalsContact SG-O 3.35Å; E31-M33 HydrophobicContact CB-CG 4.23Å; E31-M33 PolarHBondContact O-N 3.17Å; M33-I74 HydrophobicContact CE-CD1 4.19Å; M33-I74 HydrophobicContact SD-CD1 4.15Å; M33-F86 HydrophobicContact CB-CB 4.44Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.09Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.15Å; M33-F86 HydrophobicContact SD-CD1 4.35Å; M33-F86 HydrophobicContact SD-CG 4.16Å; M33-W87 CarbonylContact C-O 3.56Å; M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.33Å; M33-A88 HydrophobicContact CB-CB 3.89Å |
| 34 | L | 96.3 | Very high | 95.4 | Very high | 22 Ų | 22 | 48 Ų | 48 | 12% | 0.115 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.4 | 146.7 | 175.1 | -75.8 | 179.5 | 0 | 0 | 0 | 111.2 | A25 C29 E38 I39 W87 | A25-L34 HydrophobicContact CB-CD1 4.08Å; A25-L34 WeakPolarHBondContact O-CD1 3.5Å; C29-L34 HydrophobicContact CB-CD1 4.4Å; C29-L34 HydrophobicContact CB-CD2 3.79Å; C29-L34 HydrophobicContact CB-CG 3.91Å; L34-E38 HydrophobicContact CB-CB 4.49Å; L34-E38 HydrophobicContact CD1-CB 4.3Å; L34-E38 HydrophobicContact CD2-CB 3.98Å; L34-E38 HydrophobicContact CD2-CG 4.46Å; L34-I39 HydrophobicContact CB-CD1 4.36Å; L34-I39 HydrophobicContact CB-CG1 3.9Å; L34-I39 HydrophobicContact CD1-CG1 4.35Å; L34-W87 PolarHBondContact N-O 3.1Å; L34-W87 PolarHBondContact O-N 3.21Å |
| 35 | P | 96.7 | Very high | 95.4 | Very high | 17 Ų | 17 | 51.6 Ų | 51.6 | 11% | 0.11 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 160.8 | 166.9 | 34.9 | -35.3 | 0 | 0 | 0 | 110.4 | S37 E38 I39 F86 | P35-S37 PolarHBondContact O-N 3Å; P35-S37 VanDerWaalsContact O-N 3.09Å; P35-E38 HydrophobicContact CG-CB 4.45Å; P35-E38 HydrophobicContact CG-CG 3.96Å; P35-E38 PolarHBondContact O-N 3.29Å; P35-E38 VanDerWaalsContact O-N 3.15Å; P35-I39 PolarHBondContact O-N 3.34Å; P35-F86 HydrophobicContact CB-CD1 4.4Å |
| 36 | L | 96.8 | Very high | 95.3 | Very high | 48 Ų | 48 | 58.7 Ų | 58.7 | 25% | 0.251 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -57 | -27.7 | -176.9 | -177.8 | 59.2 | 0 | 0 | 0 | 114.3 | Y40 L61 R62 L65 | L36-Y40 HydrophobicContact CD1-CD1 4.29Å; L36-Y40 HydrophobicContact CD1-CE1 3.6Å; L36-Y40 HydrophobicContact CD1-CE2 4.37Å; L36-Y40 HydrophobicContact CD2-CE2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.08Å; L36-Y40 HydrophobicContact CG-CE2 3.93Å; L36-Y40 WeakPolarHBondContact O-CD2 3.33Å; L36-Y40 PolarHBondContact O-N 2.83Å; L36-L61 HydrophobicContact CD1-CD2 4.01Å; L36-R62 HydrophobicContact CD1-CG 4.37Å; L36-R62 HydrophobicContact CD2-CG 4.02Å; L36-L65 HydrophobicContact CD1-CD1 3.57Å |
| 37 | S | 96.8 | Very high | 95.2 | Very high | 63 Ų | 63 | 60.1 Ų | 60.1 | 44% | 0.441 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64 | -48.5 | 176.2 | 55.2 | 0 | 0 | 0 | 0 | 112.5 | P35 I39 Y40 K41 | P35-S37 PolarHBondContact O-N 3Å; P35-S37 VanDerWaalsContact O-N 3.09Å; S37-I39 VanDerWaalsContact C-N 3.32Å; S37-I39 PolarHBondContact O-N 2.95Å; S37-Y40 WeakPolarHBondContact O-CB 3.23Å; S37-Y40 PolarHBondContact O-N 2.93Å; S37-K41 PolarHBondContact O-N 3.27Å |
| 38 | E | 96.9 | Very high | 95.2 | Very high | 70 Ų | 70 | 60 Ų | 60 | 33% | 0.327 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -73.1 | -29.3 | -175.5 | -59.3 | -31.4 | 100 | 0 | 0 | 111.5 | L34 P35 Y40 K41 F42 | L34-E38 HydrophobicContact CB-CB 4.49Å; L34-E38 HydrophobicContact CD1-CB 4.3Å; L34-E38 HydrophobicContact CD2-CB 3.98Å; L34-E38 HydrophobicContact CD2-CG 4.46Å; P35-E38 HydrophobicContact CG-CB 4.45Å; P35-E38 HydrophobicContact CG-CG 3.96Å; P35-E38 PolarHBondContact O-N 3.29Å; P35-E38 VanDerWaalsContact O-N 3.15Å; E38-Y40 VanDerWaalsContact C-N 3.35Å; E38-K41 PolarHBondContact O-N 3.13Å; E38-K41 WeakPolarHBondContact OE2-CD 3.39Å; E38-K41 IonicContact OE2-NZ 3.94Å; E38-F42 VanDerWaalsContact O-CB 3.28Å; E38-F42 WeakPolarHBondContact O-CB 3.18Å; E38-F42 PolarHBondContact O-N 2.86Å |
| 39 | I | 97.5 | Very high | 95.2 | Very high | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -42.7 | 171 | -61.1 | 166.5 | 0 | 0 | 0 | 110.4 | T22 A25 L34 P35 S37 I43 L61 W87 | T22-I39 HydrophobicContact CG2-CD1 4.25Å; T22-I39 HydrophobicContact CG2-CG2 4.31Å; A25-I39 HydrophobicContact CB-CG1 4.48Å; A25-I39 HydrophobicContact CB-CG2 4.45Å; L34-I39 HydrophobicContact CB-CD1 4.36Å; L34-I39 HydrophobicContact CB-CG1 3.9Å; L34-I39 HydrophobicContact CD1-CG1 4.35Å; P35-I39 PolarHBondContact O-N 3.34Å; S37-I39 VanDerWaalsContact C-N 3.32Å; S37-I39 PolarHBondContact O-N 2.95Å; I39-I43 HydrophobicContact CG2-CD1 4.09Å; I39-I43 WeakPolarHBondContact O-CD1 3.44Å; I39-I43 VanDerWaalsContact O-CG1 3.24Å; I39-I43 WeakPolarHBondContact O-CG1 3.31Å; I39-I43 PolarHBondContact O-N 2.86Å; I39-L61 HydrophobicContact CG2-CD1 4.14Å; I39-L61 HydrophobicContact CG2-CD2 3.97Å; I39-W87 HydrophobicContact CD1-CB 4.14Å |
| 40 | Y | 97.1 | Very high | 95.3 | Very high | 30 Ų | 30 | 60.4 Ų | 60.4 | 12% | 0.118 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 174 | -59.8 | -31.9 | 0 | 0 | 0 | 111.8 | L36 S37 E38 I43 M44 W57 Q58 L61 R62 | L36-Y40 HydrophobicContact CD1-CD1 4.29Å; L36-Y40 HydrophobicContact CD1-CE1 3.6Å; L36-Y40 HydrophobicContact CD1-CE2 4.37Å; L36-Y40 HydrophobicContact CD2-CE2 4.47Å; L36-Y40 HydrophobicContact CG-CE1 4.08Å; L36-Y40 HydrophobicContact CG-CE2 3.93Å; L36-Y40 WeakPolarHBondContact O-CD2 3.33Å; L36-Y40 PolarHBondContact O-N 2.83Å; S37-Y40 WeakPolarHBondContact O-CB 3.23Å; S37-Y40 PolarHBondContact O-N 2.93Å; E38-Y40 VanDerWaalsContact C-N 3.35Å; Y40-I43 PolarHBondContact O-N 3.01Å; Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 2.82Å; Y40-W57 HydrophobicContact CD1-CH2 4.04Å; Y40-W57 AromaticContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CG-CH2 4.38Å; Y40-Q58 HydrophobicContact CD1-CB 4.34Å; Y40-Q58 HydrophobicContact CD1-CG 3.7Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.7Å; Y40-Q58 HydrophobicContact CE1-CG 3.57Å; Y40-Q58 HydrophobicContact CE2-CG 4.33Å; Y40-Q58 HydrophobicContact CG-CG 4.13Å; Y40-L61 HydrophobicContact CD1-CD2 4.37Å; Y40-L61 HydrophobicContact CE1-CD2 4.08Å; Y40-R62 WeakPolarHBondContact OH-CD 3.5Å; Y40-R62 WeakPolarHBondContact OH-CG 3.34Å; Y40-R62 PolarHBondContact OH-NH1 3.28Å |
| 41 | K | 97.2 | Very high | 95.4 | Very high | 106 Ų | 106 | 61.4 Ų | 61.4 | 46% | 0.461 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -59.2 | -53.5 | -178.2 | -178.7 | -177.3 | 172 | -170 | 0 | 111.6 | S37 E38 I43 M44 D45 | S37-K41 PolarHBondContact O-N 3.27Å; E38-K41 PolarHBondContact O-N 3.13Å; E38-K41 WeakPolarHBondContact OE2-CD 3.39Å; E38-K41 IonicContact OE2-NZ 3.94Å; K41-I43 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact O-N 3.16Å; K41-M44 PolarHBondContact O-N 3.23Å; K41-D45 WeakPolarHBondContact CG-OD2 3.28Å; K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 2.85Å |
| 42 | F | 97 | Very high | 95.3 | Very high | 32 Ų | 32 | 62 Ų | 62 | 14% | 0.14 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -52 | -40.9 | 177.3 | 177.2 | -86.9 | 0 | 0 | 0 | 112.7 | M24 A25 S28 E38 R46 | M24-F42 HydrophobicContact CB-CE1 3.92Å; M24-F42 HydrophobicContact CB-CZ 4.12Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.49Å; A25-F42 VanDerWaalsContact CB-CD1 3.49Å; A25-F42 HydrophobicContact CB-CD2 4.45Å; A25-F42 HydrophobicContact CB-CE1 3.98Å; A25-F42 HydrophobicContact CB-CG 3.75Å; S28-F42 WeakPolarHBondContact OG-CE2 3.47Å; E38-F42 VanDerWaalsContact O-CB 3.28Å; E38-F42 WeakPolarHBondContact O-CB 3.18Å; E38-F42 PolarHBondContact O-N 2.86Å; F42-R46 WeakPolarHBondContact O-CB 3.39Å; F42-R46 PolarHBondContact O-N 3.25Å |
| 43 | I | 96.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -69.6 | -45 | 179.4 | -67.7 | 169.5 | 0 | 0 | 0 | 111 | L21 I39 Y40 K41 F47 Y50 W57 L61 | L21-I43 HydrophobicContact CB-CD1 3.81Å; L21-I43 HydrophobicContact CB-CG1 4.14Å; I39-I43 HydrophobicContact CG2-CD1 4.09Å; I39-I43 WeakPolarHBondContact O-CD1 3.44Å; I39-I43 VanDerWaalsContact O-CG1 3.24Å; I39-I43 WeakPolarHBondContact O-CG1 3.31Å; I39-I43 PolarHBondContact O-N 2.86Å; Y40-I43 PolarHBondContact O-N 3.01Å; K41-I43 PolarHBondContact O-N 3.46Å; K41-I43 VanDerWaalsContact O-N 3.16Å; I43-F47 WeakPolarHBondContact O-CA 3.44Å; I43-F47 WeakPolarHBondContact O-CB 3.35Å; I43-F47 PolarHBondContact O-N 2.92Å; I43-Y50 HydrophobicContact CG2-CD1 4.45Å; I43-Y50 HydrophobicContact CG2-CD2 3.5Å; I43-Y50 HydrophobicContact CG2-CE2 4.18Å; I43-Y50 HydrophobicContact CG2-CG 3.66Å; I43-W57 HydrophobicContact CB-CH2 4.39Å; I43-W57 HydrophobicContact CD1-CZ3 4.33Å; I43-W57 HydrophobicContact CG2-CH2 4.2Å; I43-W57 HydrophobicContact CG2-CZ3 4.25Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å |
| 44 | M | 95.4 | Very high | 95 | Very high | 49 Ų | 49 | 61.8 Ų | 61.8 | 24% | 0.241 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -68.3 | -35.7 | 178.1 | -67 | -176.3 | -57.2 | 0 | 0 | 112.7 | Y40 K41 R51 T54 W57 | Y40-M44 WeakPolarHBondContact O-CG 3.49Å; Y40-M44 PolarHBondContact O-N 2.82Å; K41-M44 PolarHBondContact O-N 3.23Å; M44-R51 HydrophobicContact CB-CG 4.13Å; M44-R51 PolarHBondContact O-NE 3.39Å; M44-R51 PolarHBondContact O-NH2 2.88Å; M44-T54 HydrophobicContact SD-CG2 4.16Å; M44-W57 HydrophobicContact CG-CH2 4.14Å; M44-W57 HydrophobicContact CG-CZ2 3.68Å; M44-W57 HydrophobicContact SD-CZ2 3.99Å |
| 45 | D | 95.2 | Very high | 95 | Very high | 98 Ų | 98 | 67 Ų | 67 | 52% | 0.524 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.8 | -50.5 | 178 | -68.5 | -9.7 | 0 | 0 | 0 | 110.2 | K41 R51 | K41-D45 WeakPolarHBondContact CG-OD2 3.28Å; K41-D45 WeakPolarHBondContact O-CB 3.37Å; K41-D45 VanDerWaalsContact O-CG 3.23Å; K41-D45 PolarHBondContact O-N 2.85Å; D45-R51 PolarHBondContact O-NH2 3.09Å; D45-R51 VanDerWaalsContact O-NH2 3.1Å |
| 46 | R | 93.9 | Very high | 94.9 | Very high | 150 Ų | 150 | 75.7 Ų | 75.7 | 57% | 0.566 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -77.5 | -28.1 | -176.3 | -174.2 | 173.7 | -71.3 | -106.1 | -2.6 | 114.5 | F42 | F42-R46 WeakPolarHBondContact O-CB 3.39Å; F42-R46 PolarHBondContact O-N 3.25Å |
| 47 | F | 93.6 | Very high | 94.8 | Very high | 30 Ų | 30 | 74 Ų | 74 | 13% | 0.132 | 34% | 0.339 | C | S | . | . | trans | -133.1 | 93.5 | -173.4 | -59.8 | -69.2 | 0 | 0 | 0 | 111.1 | P14 Y16 L21 M24 I43 Y49 Y50 | P14-F47 HydrophobicContact CB-CD1 3.97Å; P14-F47 HydrophobicContact CB-CE1 4.1Å; P14-F47 HydrophobicContact CG-CB 3.97Å; P14-F47 HydrophobicContact CG-CD1 3.48Å; P14-F47 VanDerWaalsContact CG-CD1 3.48Å; P14-F47 HydrophobicContact CG-CE1 4.13Å; P14-F47 HydrophobicContact CG-CG 3.83Å; Y16-F47 AromaticContact CD2-CE1 3.95Å; Y16-F47 HydrophobicContact CD2-CE1 3.95Å; Y16-F47 AromaticContact CD2-CZ 3.7Å; Y16-F47 HydrophobicContact CD2-CZ 3.7Å; Y16-F47 AromaticContact CE2-CE1 3.82Å; Y16-F47 HydrophobicContact CE2-CE1 3.82Å; Y16-F47 AromaticContact CE2-CZ 3.72Å; Y16-F47 HydrophobicContact CE2-CZ 3.72Å; L21-F47 HydrophobicContact CD2-CD2 3.67Å; L21-F47 HydrophobicContact CD2-CE2 3.38Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; M24-F47 HydrophobicContact CE-CE2 4.16Å; M24-F47 HydrophobicContact CE-CZ 4.07Å; I43-F47 WeakPolarHBondContact O-CA 3.44Å; I43-F47 WeakPolarHBondContact O-CB 3.35Å; I43-F47 PolarHBondContact O-N 2.92Å; F47-Y49 PolarHBondContact O-N 2.68Å; F47-Y49 VanDerWaalsContact O-N 3.1Å; F47-Y50 HydrophobicContact CB-CD2 3.8Å; F47-Y50 HydrophobicContact CB-CE2 4.37Å; F47-Y50 PolarHBondContact O-N 3Å | ||
| 48 | P | 92.6 | Very high | 94.9 | Very high | 42 Ų | 42 | 72.1 Ų | 72.1 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -52.4 | -36.1 | -174.1 | -30.1 | 36.9 | 0 | 0 | 0 | 115.2 | Y50 R51 | P48-Y50 PolarHBondContact O-N 3.4Å; P48-R51 WeakPolarHBondContact O-CB 3.38Å; P48-R51 WeakPolarHBondContact O-CG 3.02Å; P48-R51 PolarHBondContact O-N 2.86Å |
| 49 | Y | 93.3 | Very high | 94.9 | Very high | 93 Ų | 93 | 73.5 Ų | 73.5 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | G | 310 helix | trans | -42.2 | -32.7 | 170.7 | 176.5 | -103.5 | 0 | 0 | 0 | 115.5 | S10 D11 K13 F47 | S10-Y49 PolarHBondContact O-N 3.07Å; D11-Y49 VanDerWaalsContact O-CD2 3.27Å; D11-Y49 WeakPolarHBondContact O-CD2 3.16Å; K13-Y49 HydrophobicContact CB-CD1 4.22Å; K13-Y49 HydrophobicContact CB-CD2 4.48Å; K13-Y49 HydrophobicContact CB-CE1 3.75Å; K13-Y49 HydrophobicContact CB-CE2 4.04Å; K13-Y49 HydrophobicContact CD-CE1 4.14Å; K13-Y49 HydrophobicContact CG-CD1 4.21Å; K13-Y49 HydrophobicContact CG-CE1 3.58Å; F47-Y49 PolarHBondContact O-N 2.68Å; F47-Y49 VanDerWaalsContact O-N 3.1Å |
| 50 | Y | 94.8 | Very high | 94.9 | Very high | 3 Ų | 3 | 75.4 Ų | 75.4 | 1% | 0.012 | 35% | 0.346 | C | S | . | . | G | 310 helix | trans | -90.1 | 0.3 | -178.4 | -69.9 | -70.1 | 0 | 0 | 0 | 114.6 | P14 Y18 L21 I43 F47 P48 E52 W57 | P14-Y50 HydrophobicContact CG-CE2 4.04Å; Y18-Y50 HydrophobicContact CE1-CE1 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.79Å; I43-Y50 HydrophobicContact CG2-CD1 4.45Å; I43-Y50 HydrophobicContact CG2-CD2 3.5Å; I43-Y50 HydrophobicContact CG2-CE2 4.18Å; I43-Y50 HydrophobicContact CG2-CG 3.66Å; F47-Y50 HydrophobicContact CB-CD2 3.8Å; F47-Y50 HydrophobicContact CB-CE2 4.37Å; F47-Y50 PolarHBondContact O-N 3Å; P48-Y50 PolarHBondContact O-N 3.4Å; Y50-E52 VanDerWaalsContact C-N 3.31Å; Y50-W57 HydrophobicContact CD1-CB 4.05Å; Y50-W57 AromaticContact CD1-CD1 3.72Å; Y50-W57 AromaticContact CD1-CD2 3.72Å; Y50-W57 HydrophobicContact CD1-CD2 3.72Å; Y50-W57 AromaticContact CD1-CE2 3.97Å; Y50-W57 HydrophobicContact CD1-CE3 4.31Å; Y50-W57 AromaticContact CD1-CG 3.59Å; Y50-W57 HydrophobicContact CD1-CG 3.59Å; Y50-W57 AromaticContact CD1-NE1 3.88Å; Y50-W57 HydrophobicContact CE1-CB 4.13Å; Y50-W57 HydrophobicContact CE1-CD2 4.46Å; Y50-W57 HydrophobicContact CE1-CG 4.16Å; Y50-W57 HydrophobicContact CG-CD2 4.44Å; Y50-W57 VanDerWaalsContact O-CE2 3.27Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.43Å; Y50-W57 PolarHBondContact O-NE1 3.21Å |
| 51 | R | 94.2 | Very high | 94.9 | Very high | 139 Ų | 139 | 74 Ų | 74 | 53% | 0.525 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -70.6 | -31.3 | 175 | -64.6 | 172.5 | -172.9 | 174.6 | 3.3 | 111.8 | M44 D45 P48 T54 | M44-R51 HydrophobicContact CB-CG 4.13Å; M44-R51 PolarHBondContact O-NE 3.39Å; M44-R51 PolarHBondContact O-NH2 2.88Å; D45-R51 PolarHBondContact O-NH2 3.09Å; D45-R51 VanDerWaalsContact O-NH2 3.1Å; P48-R51 WeakPolarHBondContact O-CB 3.38Å; P48-R51 WeakPolarHBondContact O-CG 3.02Å; P48-R51 PolarHBondContact O-N 2.86Å; R51-T54 WeakPolarHBondContact O-CG2 3.49Å |
| 52 | E | 90.9 | Very high | 94.9 | Very high | 139 Ų | 139 | 72.8 Ų | 72.8 | 65% | 0.65 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -85.3 | 163.4 | 174.9 | -63.7 | -174.1 | -172.3 | 0 | 0 | 112.8 | Y50 T54 | Y50-E52 VanDerWaalsContact C-N 3.31Å; E52-T54 PolarHBondContact O-N 2.83Å |
| 53 | N | 89.7 | Confident | 94.9 | Very high | 121 Ų | 121 | 76.5 Ų | 76.5 | 65% | 0.647 | 35% | 0.35 | S | S | * | . | S | Bend | trans | 51.8 | 32 | 168.6 | -73.1 | -76.5 | 0 | 0 | 0 | 114.5 | Q55 R56 | N53-Q55 VanDerWaalsContact C-N 3.32Å; N53-Q55 PolarHBondContact O-N 3.23Å; N53-Q55 VanDerWaalsContact O-N 3.11Å; N53-R56 PolarHBondContact O-N 3.02Å |
| 54 | T | 92.4 | Very high | 94.9 | Very high | 45 Ų | 45 | 77.9 Ų | 77.9 | 28% | 0.276 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -48.4 | -46.7 | -165.9 | 52.5 | 0 | 0 | 0 | 0 | 114.1 | M44 R51 E52 R56 W57 Q58 | M44-T54 HydrophobicContact SD-CG2 4.16Å; R51-T54 WeakPolarHBondContact O-CG2 3.49Å; E52-T54 PolarHBondContact O-N 2.83Å; T54-R56 VanDerWaalsContact C-N 3.28Å; T54-R56 PolarHBondContact O-N 2.97Å; T54-W57 PolarHBondContact O-N 2.85Å; T54-Q58 VanDerWaalsContact O-CB 3.24Å; T54-Q58 WeakPolarHBondContact O-CB 3.5Å; T54-Q58 WeakPolarHBondContact O-CG 3.3Å; T54-Q58 PolarHBondContact O-N 3.39Å |
| 55 | Q | 95.6 | Very high | 94.9 | Very high | 132 Ų | 132 | 75.7 Ų | 75.7 | 62% | 0.617 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -54.1 | -40.4 | -177.9 | -63.7 | -61.9 | -14.3 | 0 | 0 | 113.5 | N53 N59 | N53-Q55 VanDerWaalsContact C-N 3.32Å; N53-Q55 PolarHBondContact O-N 3.23Å; N53-Q55 VanDerWaalsContact O-N 3.11Å; Q55-N59 VanDerWaalsContact O-CB 3.27Å; Q55-N59 WeakPolarHBondContact O-CB 3.41Å; Q55-N59 PolarHBondContact O-N 3.46Å |
| 56 | R | 95.1 | Very high | 94.9 | Very high | 199 Ų | 199 | 75.7 Ų | 75.7 | 75% | 0.751 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.7 | -48.8 | -174.9 | -175.8 | -176.5 | -70.7 | -91.2 | 4.8 | 111.9 | N53 T54 S60 | N53-R56 PolarHBondContact O-N 3.02Å; T54-R56 VanDerWaalsContact C-N 3.28Å; T54-R56 PolarHBondContact O-N 2.97Å; R56-S60 PolarHBondContact O-N 3.3Å; R56-S60 PolarHBondContact O-OG 3.42Å |
| 57 | W | 95.7 | Very high | 94.9 | Very high | 12 Ų | 12 | 73.8 Ų | 73.8 | 5% | 0.045 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -79 | -34.7 | -178.9 | 72.4 | -105.6 | 0 | 0 | 0 | 111.9 | Y18 Y40 I43 M44 Y50 T54 N59 S60 L61 | Y18-W57 HydrophobicContact CE1-CB 4.15Å; Y40-W57 HydrophobicContact CD1-CH2 4.04Å; Y40-W57 AromaticContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CD1-CZ3 3.91Å; Y40-W57 HydrophobicContact CG-CH2 4.38Å; I43-W57 HydrophobicContact CB-CH2 4.39Å; I43-W57 HydrophobicContact CD1-CZ3 4.33Å; I43-W57 HydrophobicContact CG2-CH2 4.2Å; I43-W57 HydrophobicContact CG2-CZ3 4.25Å; M44-W57 HydrophobicContact CG-CH2 4.14Å; M44-W57 HydrophobicContact CG-CZ2 3.68Å; M44-W57 HydrophobicContact SD-CZ2 3.99Å; Y50-W57 HydrophobicContact CD1-CB 4.05Å; Y50-W57 AromaticContact CD1-CD1 3.72Å; Y50-W57 AromaticContact CD1-CD2 3.72Å; Y50-W57 HydrophobicContact CD1-CD2 3.72Å; Y50-W57 AromaticContact CD1-CE2 3.97Å; Y50-W57 HydrophobicContact CD1-CE3 4.31Å; Y50-W57 AromaticContact CD1-CG 3.59Å; Y50-W57 HydrophobicContact CD1-CG 3.59Å; Y50-W57 AromaticContact CD1-NE1 3.88Å; Y50-W57 HydrophobicContact CE1-CB 4.13Å; Y50-W57 HydrophobicContact CE1-CD2 4.46Å; Y50-W57 HydrophobicContact CE1-CG 4.16Å; Y50-W57 HydrophobicContact CG-CD2 4.44Å; Y50-W57 VanDerWaalsContact O-CE2 3.27Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.43Å; Y50-W57 PolarHBondContact O-NE1 3.21Å; T54-W57 PolarHBondContact O-N 2.85Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.9Å; W57-S60 CarbonylContact O-C 3.56Å; W57-S60 WeakPolarHBondContact O-CA 3.44Å; W57-S60 WeakPolarHBondContact O-CB 3.33Å; W57-S60 PolarHBondContact O-N 3.18Å; W57-S60 VanDerWaalsContact O-N 3.14Å; W57-L61 HydrophobicContact CZ3-CD1 4.28Å; W57-L61 PolarHBondContact O-N 3.16Å |
| 58 | Q | 97.4 | Very high | 94.9 | Very high | 25 Ų | 25 | 73.1 Ų | 73.1 | 12% | 0.117 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -63 | -38.3 | 174.4 | -70.9 | -176.9 | 6 | 0 | 0 | 111.5 | Y40 T54 S60 L61 R62 | Y40-Q58 HydrophobicContact CD1-CB 4.34Å; Y40-Q58 HydrophobicContact CD1-CG 3.7Å; Y40-Q58 HydrophobicContact CD2-CG 4.43Å; Y40-Q58 HydrophobicContact CE1-CB 3.7Å; Y40-Q58 HydrophobicContact CE1-CG 3.57Å; Y40-Q58 HydrophobicContact CE2-CG 4.33Å; Y40-Q58 HydrophobicContact CG-CG 4.13Å; T54-Q58 VanDerWaalsContact O-CB 3.24Å; T54-Q58 WeakPolarHBondContact O-CB 3.5Å; T54-Q58 WeakPolarHBondContact O-CG 3.3Å; T54-Q58 PolarHBondContact O-N 3.39Å; Q58-S60 VanDerWaalsContact C-N 3.33Å; Q58-L61 PolarHBondContact O-N 3.28Å; Q58-R62 WeakPolarHBondContact O-CG 3.46Å; Q58-R62 PolarHBondContact O-N 3Å |
| 59 | N | 97.5 | Very high | 94.8 | Very high | 98 Ų | 98 | 74.5 Ų | 74.5 | 52% | 0.524 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 173.3 | -160.9 | 45.3 | 0 | 0 | 0 | 111.9 | Q55 W57 L61 R62 H63 | Q55-N59 VanDerWaalsContact O-CB 3.27Å; Q55-N59 WeakPolarHBondContact O-CB 3.41Å; Q55-N59 PolarHBondContact O-N 3.46Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 2.9Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 3.49Å; N59-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact OD1-NH2 3.42Å; N59-R62 VanDerWaalsContact OD1-NH2 3.09Å; N59-H63 PolarHBondContact O-N 3.34Å |
| 60 | S | 97.1 | Very high | 94.8 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 28% | 0.28 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.2 | -38.5 | 174.8 | -53.7 | 0 | 0 | 0 | 0 | 112.1 | R56 W57 Q58 N64 | R56-S60 PolarHBondContact O-N 3.3Å; R56-S60 PolarHBondContact O-OG 3.42Å; W57-S60 CarbonylContact O-C 3.56Å; W57-S60 WeakPolarHBondContact O-CA 3.44Å; W57-S60 WeakPolarHBondContact O-CB 3.33Å; W57-S60 PolarHBondContact O-N 3.18Å; W57-S60 VanDerWaalsContact O-N 3.14Å; Q58-S60 VanDerWaalsContact C-N 3.33Å; S60-N64 PolarHBondContact O-N 3.39Å; S60-N64 PolarHBondContact O-ND2 3Å |
| 61 | L | 97.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 70.8 Ų | 70.8 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -72.6 | -42.1 | 178.4 | -172.4 | 142.8 | 0 | 0 | 0 | 112.1 | Y18 L36 I39 Y40 I43 W57 Q58 N59 H63 N64 L65 | Y18-L61 HydrophobicContact CD1-CB 4.37Å; Y18-L61 HydrophobicContact CD1-CD1 4.42Å; L36-L61 HydrophobicContact CD1-CD2 4.01Å; I39-L61 HydrophobicContact CG2-CD1 4.14Å; I39-L61 HydrophobicContact CG2-CD2 3.97Å; Y40-L61 HydrophobicContact CD1-CD2 4.37Å; Y40-L61 HydrophobicContact CE1-CD2 4.08Å; I43-L61 HydrophobicContact CD1-CD1 3.36Å; W57-L61 HydrophobicContact CZ3-CD1 4.28Å; W57-L61 PolarHBondContact O-N 3.16Å; Q58-L61 PolarHBondContact O-N 3.28Å; N59-L61 VanDerWaalsContact C-N 3.3Å; N59-L61 PolarHBondContact O-N 3.49Å; L61-H63 VanDerWaalsContact C-N 3.31Å; L61-H63 PolarHBondContact O-N 2.94Å; L61-N64 PolarHBondContact O-N 3.35Å; L61-L65 HydrophobicContact CD2-CD1 3.74Å; L61-L65 HydrophobicContact CD2-CG 4.21Å; L61-L65 PolarHBondContact O-N 2.66Å |
| 62 | R | 97.6 | Very high | 94.9 | Very high | 81 Ų | 81 | 67.1 Ų | 67.1 | 31% | 0.306 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -56.7 | -44.4 | 172.3 | -73.3 | -174.1 | -61 | -98.7 | 12.5 | 111.9 | L36 Y40 Q58 N59 L65 S66 | L36-R62 HydrophobicContact CD1-CG 4.37Å; L36-R62 HydrophobicContact CD2-CG 4.02Å; Y40-R62 WeakPolarHBondContact OH-CD 3.5Å; Y40-R62 WeakPolarHBondContact OH-CG 3.34Å; Y40-R62 PolarHBondContact OH-NH1 3.28Å; Q58-R62 WeakPolarHBondContact O-CG 3.46Å; Q58-R62 PolarHBondContact O-N 3Å; N59-R62 PolarHBondContact O-N 2.87Å; N59-R62 PolarHBondContact OD1-NH2 3.42Å; N59-R62 VanDerWaalsContact OD1-NH2 3.09Å; R62-L65 PolarHBondContact O-N 2.76Å; R62-S66 PolarHBondContact O-N 3.4Å |
| 63 | H | 97.5 | Very high | 95.2 | Very high | 110 Ų | 110 | 67.2 Ų | 67.2 | 51% | 0.509 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.5 | -44.2 | 172.8 | 168.4 | 67.3 | 0 | 0 | 0 | 111.7 | N59 L61 L65 S66 F67 | N59-H63 PolarHBondContact O-N 3.34Å; L61-H63 VanDerWaalsContact C-N 3.31Å; L61-H63 PolarHBondContact O-N 2.94Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.26Å; H63-S66 PolarHBondContact O-N 3.06Å; H63-F67 AromaticContact CE1-CD2 3.64Å; H63-F67 AromaticContact CE1-CG 3.74Å; H63-F67 AromaticContact NE2-CG 3.93Å; H63-F67 WeakPolarHBondContact O-CB 3.44Å; H63-F67 PolarHBondContact O-N 2.9Å |
| 64 | N | 95.8 | Very high | 95.4 | Very high | 29 Ų | 29 | 63.8 Ų | 63.8 | 16% | 0.155 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -31.9 | 179.7 | -87.3 | -95.6 | 0 | 0 | 0 | 113.9 | S60 L61 N68 | S60-N64 PolarHBondContact O-N 3.39Å; S60-N64 PolarHBondContact O-ND2 3Å; L61-N64 PolarHBondContact O-N 3.35Å; N64-N68 PolarHBondContact O-N 3.43Å; N64-N68 PolarHBondContact O-ND2 2.98Å; N64-N68 PolarHBondContact OD1-ND2 3.49Å |
| 65 | L | 96.1 | Very high | 95.5 | Very high | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.016 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.3 | -46.3 | 173.7 | -74.2 | 169.2 | 0 | 0 | 0 | 111.8 | T22 L36 L61 R62 H63 F71 W87 | T22-L65 HydrophobicContact CG2-CD2 3.7Å; L36-L65 HydrophobicContact CD1-CD1 3.57Å; L61-L65 HydrophobicContact CD2-CD1 3.74Å; L61-L65 HydrophobicContact CD2-CG 4.21Å; L61-L65 PolarHBondContact O-N 2.66Å; R62-L65 PolarHBondContact O-N 2.76Å; H63-L65 VanDerWaalsContact C-N 3.33Å; H63-L65 PolarHBondContact O-N 3.26Å; L65-F71 HydrophobicContact CD2-CB 4.09Å; L65-F71 HydrophobicContact CD2-CD1 4.28Å; L65-F71 HydrophobicContact CD2-CD2 4.11Å; L65-F71 HydrophobicContact CD2-CG 3.88Å; L65-W87 HydrophobicContact CB-CD2 4.2Å; L65-W87 HydrophobicContact CB-CE3 4.12Å; L65-W87 HydrophobicContact CB-CH2 3.8Å; L65-W87 HydrophobicContact CB-CZ2 3.92Å; L65-W87 HydrophobicContact CB-CZ3 3.91Å; L65-W87 HydrophobicContact CD1-CD2 4.24Å; L65-W87 HydrophobicContact CD1-CG 4.34Å; L65-W87 HydrophobicContact CD1-CZ2 4.46Å; L65-W87 HydrophobicContact CD2-CB 4.26Å; L65-W87 HydrophobicContact CD2-CD2 3.89Å; L65-W87 HydrophobicContact CD2-CE3 4.01Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.35Å; L65-W87 WeakPolarHBondContact O-CZ3 3.37Å |
| 66 | S | 95.5 | Very high | 95.3 | Very high | 99 Ų | 99 | 63.5 Ų | 63.5 | 69% | 0.692 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -80.8 | -16 | 179.7 | -56 | 0 | 0 | 0 | 0 | 114.7 | R62 H63 | R62-S66 PolarHBondContact O-N 3.4Å; H63-S66 PolarHBondContact O-N 3.06Å |
| 67 | F | 93 | Very high | 95.1 | Very high | 109 Ų | 109 | 62.1 Ų | 62.1 | 48% | 0.478 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -98.9 | -22.2 | -173.6 | -176.9 | -90.3 | 0 | 0 | 0 | 114.6 | H63 | H63-F67 AromaticContact CE1-CD2 3.64Å; H63-F67 AromaticContact CE1-CG 3.74Å; H63-F67 AromaticContact NE2-CG 3.93Å; H63-F67 WeakPolarHBondContact O-CB 3.44Å; H63-F67 PolarHBondContact O-N 2.9Å |
| 68 | N | 92.7 | Very high | 94.7 | Very high | 16 Ų | 16 | 67.9 Ų | 67.9 | 9% | 0.086 | 35% | 0.345 | C | S | . | . | trans | -115.1 | 120.2 | -176.5 | -55.2 | -89.6 | 0 | 0 | 0 | 110.6 | I19 N64 C70 F71 R108 | I19-N68 HydrophobicContact CD1-CB 4.36Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.5Å; N64-N68 PolarHBondContact O-N 3.43Å; N64-N68 PolarHBondContact O-ND2 2.98Å; N64-N68 PolarHBondContact OD1-ND2 3.49Å; N68-C70 PolarHBondContact O-N 3.49Å; N68-F71 HydrophobicContact CB-CD2 4.48Å; N68-F71 PolarHBondContact O-N 3.07Å; N68-R108 PolarHBondContact OD1-NH1 3.16Å | ||
| 69 | D | 92.3 | Very high | 94.3 | Very high | 71 Ų | 71 | 71 Ų | 71 | 38% | 0.38 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.8 | -10.9 | 179.9 | -33.3 | -10.4 | 0 | 0 | 0 | 114.3 | F71 H90 F109 K110 V111 | D69-F71 PolarHBondContact O-N 2.92Å; D69-H90 WeakPolarHBondContact O-CB 3.39Å; D69-F109 HydrophobicContact CB-CD1 4.12Å; D69-F109 HydrophobicContact CB-CE1 3.99Å; D69-K110 VanDerWaalsContact OD2-CA 3.23Å; D69-K110 WeakPolarHBondContact OD2-CA 3.44Å; D69-V111 HydrophobicContact CB-CB 4.32Å; D69-V111 HydrophobicContact CB-CG2 3.73Å; D69-V111 PolarHBondContact OD2-N 3.3Å |
| 70 | C | 92.3 | Very high | 93.7 | Very high | 6 Ų | 6 | 71.6 Ų | 71.6 | 4% | 0.041 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | -25.5 | 169.1 | -58.5 | 0 | 0 | 0 | 0 | 112.9 | I19 N68 L89 H90 C93 F109 | I19-C70 HydrophobicContact CG2-CB 4.47Å; N68-C70 PolarHBondContact O-N 3.49Å; C70-L89 CarbonylContact O-C 3.58Å; C70-L89 WeakPolarHBondContact O-CA 3.5Å; C70-H90 PolarHBondContact O-N 2.83Å; C70-C93 PolarHBondContact O-SG 2.83Å; C70-C93 VanDerWaalsContact O-SG 3.4Å; C70-F109 HydrophobicContact CB-CD1 4.37Å; C70-F109 VanDerWaalsContact SG-CD1 3.6Å |
| 71 | F | 95.2 | Very high | 93 | Very high | 12 Ų | 12 | 75.7 Ų | 75.7 | 5% | 0.053 | 39% | 0.388 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 121.5 | -173.6 | -56.4 | -61.5 | 0 | 0 | 0 | 111.4 | I19 T22 I26 L65 N68 D69 W87 A88 L89 | I19-F71 HydrophobicContact CB-CE2 4.26Å; I19-F71 HydrophobicContact CB-CZ 4.3Å; I19-F71 HydrophobicContact CG1-CE2 4.35Å; I19-F71 HydrophobicContact CG2-CE2 3.86Å; I19-F71 HydrophobicContact CG2-CZ 3.72Å; T22-F71 HydrophobicContact CG2-CD1 3.79Å; T22-F71 HydrophobicContact CG2-CE1 3.31Å; T22-F71 HydrophobicContact CG2-CE2 4.36Å; T22-F71 HydrophobicContact CG2-CZ 3.64Å; I26-F71 HydrophobicContact CD1-CD1 4.06Å; I26-F71 HydrophobicContact CD1-CE1 4.22Å; L65-F71 HydrophobicContact CD2-CB 4.09Å; L65-F71 HydrophobicContact CD2-CD1 4.28Å; L65-F71 HydrophobicContact CD2-CD2 4.11Å; L65-F71 HydrophobicContact CD2-CG 3.88Å; N68-F71 HydrophobicContact CB-CD2 4.48Å; N68-F71 PolarHBondContact O-N 3.07Å; D69-F71 PolarHBondContact O-N 2.92Å; F71-W87 HydrophobicContact CB-CE3 3.99Å; F71-W87 HydrophobicContact CB-CZ3 4.31Å; F71-A88 WeakPolarHBondContact CA-O 3.09Å; F71-L89 HydrophobicContact CD1-CD2 4.02Å; F71-L89 HydrophobicContact CE1-CD2 3.59Å |
| 72 | I | 95.9 | Very high | 92.5 | Very high | 63 Ų | 63 | 77.8 Ų | 77.8 | 32% | 0.323 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 135.2 | 176.2 | 60.4 | 175.4 | 0 | 0 | 0 | 110.2 | I74 W87 A88 H90 | I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I72-W87 WeakPolarHBondContact O-CA 3.21Å; I72-A88 HydrophobicContact CD1-CB 4.25Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.89Å; I72-A88 PolarHBondContact O-N 3.22Å; I72-H90 HydrophobicContact CG2-CB 4.21Å |
| 73 | K | 96.7 | Very high | 92.1 | Very high | 140 Ų | 140 | 83.6 Ų | 83.6 | 61% | 0.609 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 107.9 | 178.7 | -179.1 | -170.4 | 171.1 | -168.8 | 0 | 109.4 | S85 W87 | K73-S85 WeakPolarHBondContact CE-OG 3.46Å; K73-W87 HydrophobicContact CB-CE3 4.11Å; K73-W87 HydrophobicContact CB-CH2 3.99Å; K73-W87 HydrophobicContact CB-CZ2 4.4Å; K73-W87 HydrophobicContact CB-CZ3 3.83Å; K73-W87 HydrophobicContact CG-CH2 4.38Å; K73-W87 HydrophobicContact CG-CZ2 4.35Å |
| 74 | I | 95.2 | Very high | 91.9 | Very high | 50 Ų | 50 | 80.8 Ų | 80.8 | 26% | 0.256 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.6 | 123.8 | -179.2 | -62.1 | 177.2 | 0 | 0 | 0 | 109.3 | M33 I72 S85 F86 A88 | M33-I74 HydrophobicContact CE-CD1 4.19Å; M33-I74 HydrophobicContact SD-CD1 4.15Å; I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CG1-CG1 4.39Å; I74-S85 WeakPolarHBondContact O-CB 3.4Å; I74-F86 HydrophobicContact CB-CB 4.11Å; I74-F86 PolarHBondContact N-O 3.22Å; I74-F86 PolarHBondContact O-N 3.25Å; I74-A88 HydrophobicContact CD1-CB 3.6Å; I74-A88 HydrophobicContact CG1-CB 4.49Å |
| 75 | P | 93.8 | Very high | 91.8 | Very high | 102 Ų | 102 | 80.8 Ų | 80.8 | 66% | 0.662 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -65.5 | 149.8 | 174.7 | 29.3 | -34.5 | 0 | 0 | 0 | 110.7 | ||
| 76 | R | 91.7 | Very high | 91.9 | Very high | 69 Ų | 69 | 82 Ų | 82 | 26% | 0.26 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 147.7 | 170.1 | -68.3 | -171.1 | -178.2 | -93 | -0 | 109.9 | G82 K83 G84 F86 | R76-G82 WeakPolarHBondContact CD-O 3.33Å; R76-G82 PolarHBondContact NE-O 2.93Å; R76-K83 PolarHBondContact NH2-O 3.3Å; R76-G84 WeakPolarHBondContact CD-O 3.24Å; R76-G84 PolarHBondContact NE-O 2.69Å; R76-F86 HydrophobicContact CG-CD2 4.03Å; R76-F86 HydrophobicContact CG-CE2 3.92Å |
| 77 | R | 90.3 | Very high | 91.9 | Very high | 169 Ų | 169 | 78.7 Ų | 78.7 | 64% | 0.638 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -63.4 | 147.9 | 165.4 | -66 | 169.9 | 59.4 | 124.7 | 1.4 | 109.7 | D79 Q80 | R77-D79 WeakPolarHBondContact CB-OD1 3.28Å; R77-D79 IonicContact CZ-OD2 3.2Å; R77-D79 IonicContact NE-OD1 3.21Å; R77-D79 PolarHBondContact NE-OD1 3.3Å; R77-D79 IonicContact NE-OD2 2.88Å; R77-D79 PolarHBondContact NE-OD2 3.35Å; R77-D79 IonicContact NH2-OD2 2.68Å; R77-D79 PolarHBondContact NH2-OD2 2.83Å; R77-D79 PolarHBondContact O-N 3.05Å; R77-Q80 PolarHBondContact O-N 3.21Å |
| 78 | P | 87.4 | Confident | 92.1 | Very high | 134 Ų | 134 | 73.9 Ų | 73.9 | 87% | 0.87 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -19.4 | -178.8 | 28.8 | -35.7 | 0 | 0 | 0 | 113.5 | Q80 | P78-Q80 VanDerWaalsContact C-N 3.29Š|
| 79 | D | 89.4 | Confident | 92.2 | Very high | 90 Ų | 90 | 74.3 Ų | 74.3 | 48% | 0.481 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -13.7 | 175 | 51.9 | 27.6 | 0 | 0 | 0 | 114 | R77 P81 | R77-D79 WeakPolarHBondContact CB-OD1 3.28Å; R77-D79 IonicContact CZ-OD2 3.2Å; R77-D79 IonicContact NE-OD1 3.21Å; R77-D79 PolarHBondContact NE-OD1 3.3Å; R77-D79 IonicContact NE-OD2 2.88Å; R77-D79 PolarHBondContact NE-OD2 3.35Å; R77-D79 IonicContact NH2-OD2 2.68Å; R77-D79 PolarHBondContact NH2-OD2 2.83Å; R77-D79 PolarHBondContact O-N 3.05Å; D79-P81 WeakPolarHBondContact O-CD 3.39Å |
| 80 | Q | 84.4 | Confident | 92.2 | Very high | 110 Ų | 110 | 72.6 Ų | 72.6 | 51% | 0.514 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -122.2 | 75.5 | 178.6 | -68.6 | -172.4 | 10.2 | 0 | 0 | 111.5 | R77 P78 G82 | R77-Q80 PolarHBondContact O-N 3.21Å; P78-Q80 VanDerWaalsContact C-N 3.29Å; Q80-G82 PolarHBondContact O-N 3.31Å; Q80-G82 VanDerWaalsContact O-N 3.13Å |
| 81 | P | 81.8 | Confident | 92.1 | Very high | 127 Ų | 127 | 76.8 Ų | 76.8 | 83% | 0.825 | 42% | 0.417 | S | S | * | . | trans | -60.2 | 116.7 | 174.6 | 25.6 | -34 | 0 | 0 | 0 | 110.3 | D79 | D79-P81 WeakPolarHBondContact O-CD 3.39Š| ||
| 82 | G | 88.2 | Confident | 91.7 | Very high | 44 Ų | 44 | 81.3 Ų | 81.3 | 45% | 0.454 | 44% | 0.442 | S | S | . | . | trans | -159.1 | 157.7 | -173.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | R76 Q80 G84 | R76-G82 WeakPolarHBondContact CD-O 3.33Å; R76-G82 PolarHBondContact NE-O 2.93Å; Q80-G82 PolarHBondContact O-N 3.31Å; Q80-G82 VanDerWaalsContact O-N 3.13Å; G82-G84 PolarHBondContact O-N 3.33Å | ||
| 83 | K | 89.4 | Confident | 91.1 | Very high | 203 Ų | 203 | 78.3 Ų | 78.3 | 88% | 0.883 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -70.5 | 128.6 | -174.4 | -167.6 | 170.1 | -175.3 | 171.3 | 0 | 111.6 | R76 | R76-K83 PolarHBondContact NH2-O 3.3Š|
| 84 | G | 92.2 | Very high | 90.1 | Very high | 51 Ų | 51 | 72.5 Ų | 72.5 | 53% | 0.526 | 41% | 0.406 | S | S | . | . | S | Bend | trans | 66.8 | -177.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | R76 G82 | R76-G84 WeakPolarHBondContact CD-O 3.24Å; R76-G84 PolarHBondContact NE-O 2.69Å; G82-G84 PolarHBondContact O-N 3.33Å |
| 85 | S | 95.3 | Very high | 89.4 | Confident | 28 Ų | 28 | 75.4 Ų | 75.4 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | trans | -94.4 | 160.5 | 176.5 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | K73 I74 | K73-S85 WeakPolarHBondContact CE-OG 3.46Å; I74-S85 WeakPolarHBondContact O-CB 3.4Å | ||
| 86 | F | 96.2 | Very high | 88.6 | Confident | 30 Ų | 30 | 73.8 Ų | 73.8 | 13% | 0.132 | 41% | 0.407 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | 154.1 | 163.8 | -69.1 | -83.2 | 0 | 0 | 0 | 110.1 | M33 P35 I74 R76 | M33-F86 HydrophobicContact CB-CB 4.44Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.09Å; M33-F86 HydrophobicContact CG-CG 4.4Å; M33-F86 HydrophobicContact SD-CB 4.15Å; M33-F86 HydrophobicContact SD-CD1 4.35Å; M33-F86 HydrophobicContact SD-CG 4.16Å; P35-F86 HydrophobicContact CB-CD1 4.4Å; I74-F86 HydrophobicContact CB-CB 4.11Å; I74-F86 PolarHBondContact N-O 3.22Å; I74-F86 PolarHBondContact O-N 3.25Å; R76-F86 HydrophobicContact CG-CD2 4.03Å; R76-F86 HydrophobicContact CG-CE2 3.92Å |
| 87 | W | 97.3 | Very high | 87.9 | Confident | 28 Ų | 28 | 70.7 Ų | 70.7 | 11% | 0.106 | 40% | 0.395 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 129.4 | 172.3 | -67.2 | 92.4 | 0 | 0 | 0 | 109.2 | I26 M33 L34 I39 L65 F71 I72 K73 | I26-W87 HydrophobicContact CD1-CB 4.49Å; M33-W87 CarbonylContact C-O 3.56Å; M33-W87 VanDerWaalsContact CA-O 3.28Å; M33-W87 WeakPolarHBondContact CA-O 3.33Å; L34-W87 PolarHBondContact N-O 3.1Å; L34-W87 PolarHBondContact O-N 3.21Å; I39-W87 HydrophobicContact CD1-CB 4.14Å; L65-W87 HydrophobicContact CB-CD2 4.2Å; L65-W87 HydrophobicContact CB-CE3 4.12Å; L65-W87 HydrophobicContact CB-CH2 3.8Å; L65-W87 HydrophobicContact CB-CZ2 3.92Å; L65-W87 HydrophobicContact CB-CZ3 3.91Å; L65-W87 HydrophobicContact CD1-CD2 4.24Å; L65-W87 HydrophobicContact CD1-CG 4.34Å; L65-W87 HydrophobicContact CD1-CZ2 4.46Å; L65-W87 HydrophobicContact CD2-CB 4.26Å; L65-W87 HydrophobicContact CD2-CD2 3.89Å; L65-W87 HydrophobicContact CD2-CE3 4.01Å; L65-W87 HydrophobicContact CD2-CG 4.02Å; L65-W87 HydrophobicContact CG-CD2 4.35Å; L65-W87 WeakPolarHBondContact O-CZ3 3.37Å; F71-W87 HydrophobicContact CB-CE3 3.99Å; F71-W87 HydrophobicContact CB-CZ3 4.31Å; I72-W87 WeakPolarHBondContact O-CA 3.21Å; K73-W87 HydrophobicContact CB-CE3 4.11Å; K73-W87 HydrophobicContact CB-CH2 3.99Å; K73-W87 HydrophobicContact CB-CZ2 4.4Å; K73-W87 HydrophobicContact CB-CZ3 3.83Å; K73-W87 HydrophobicContact CG-CH2 4.38Å; K73-W87 HydrophobicContact CG-CZ2 4.35Å |
| 88 | A | 96 | Very high | 87.1 | Confident | 8 Ų | 8 | 69.7 Ų | 69.7 | 7% | 0.066 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 165.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | K32 M33 F71 I72 I74 | K32-A88 WeakPolarHBondContact O-CB 3.39Å; M33-A88 HydrophobicContact CB-CB 3.89Å; F71-A88 WeakPolarHBondContact CA-O 3.09Å; I72-A88 HydrophobicContact CD1-CB 4.25Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.89Å; I72-A88 PolarHBondContact O-N 3.22Å; I74-A88 HydrophobicContact CD1-CB 3.6Å; I74-A88 HydrophobicContact CG1-CB 4.49Å |
| 89 | L | 94.5 | Very high | 86.3 | Confident | 26 Ų | 26 | 70.2 Ų | 70.2 | 14% | 0.136 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 139.4 | 167.2 | -73.6 | 166.7 | 0 | 0 | 0 | 109.6 | A23 I26 Q27 C70 F71 F97 | A23-L89 HydrophobicContact CB-CD1 4.34Å; A23-L89 HydrophobicContact CB-CD2 4.13Å; I26-L89 HydrophobicContact CB-CG 4.42Å; I26-L89 HydrophobicContact CD1-CG 4.45Å; I26-L89 HydrophobicContact CG2-CD1 4.26Å; I26-L89 HydrophobicContact CG2-CG 4.06Å; Q27-L89 HydrophobicContact CG-CD1 3.86Å; C70-L89 CarbonylContact O-C 3.58Å; C70-L89 WeakPolarHBondContact O-CA 3.5Å; F71-L89 HydrophobicContact CD1-CD2 4.02Å; F71-L89 HydrophobicContact CE1-CD2 3.59Å; L89-F97 HydrophobicContact CD2-CD2 4.38Å; L89-F97 HydrophobicContact CD2-CE2 4.25Å |
| 90 | H | 93.2 | Very high | 85.4 | Confident | 35 Ų | 35 | 68.2 Ų | 68.2 | 16% | 0.162 | 39% | 0.394 | C | S | . | . | trans | -63 | 135.3 | 168.5 | -170 | -71.3 | 0 | 0 | 0 | 109.4 | D69 C70 I72 N92 C93 F109 | D69-H90 WeakPolarHBondContact O-CB 3.39Å; C70-H90 PolarHBondContact O-N 2.83Å; I72-H90 HydrophobicContact CG2-CB 4.21Å; H90-N92 PolarHBondContact CE1-OD1 3.15Å; H90-N92 VanDerWaalsContact CE1-OD1 3.24Å; H90-N92 PolarHBondContact ND1-N 3.09Å; H90-N92 PolarHBondContact ND1-OD1 3.37Å; H90-N92 PolarHBondContact O-N 3.44Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 3Å; H90-F109 HydrophobicContact CB-CE1 4.39Å | ||
| 91 | P | 89.8 | Confident | 85.1 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 60% | 0.604 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -51.8 | -52 | -176.4 | 15.9 | -29.8 | 0 | 0 | 0 | 112.4 | C93 G94 | P91-C93 PolarHBondContact O-N 2.82Å; P91-G94 PolarHBondContact O-N 3.44Å |
| 92 | N | 86.1 | Confident | 85.1 | Confident | 107 Ų | 107 | 61.8 Ų | 61.8 | 57% | 0.572 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.7 | 1.6 | 178 | -45 | 31.3 | 0 | 0 | 0 | 115.6 | H90 F109 | H90-N92 PolarHBondContact CE1-OD1 3.15Å; H90-N92 VanDerWaalsContact CE1-OD1 3.24Å; H90-N92 PolarHBondContact ND1-N 3.09Å; H90-N92 PolarHBondContact ND1-OD1 3.37Å; H90-N92 PolarHBondContact O-N 3.44Å; N92-F109 HydrophobicContact CB-CE2 4.19Å; N92-F109 HydrophobicContact CB-CZ 4.18Å; N92-F109 VanDerWaalsContact O-CE2 3.31Å; N92-F109 WeakPolarHBondContact O-CE2 3.37Å |
| 93 | C | 84.1 | Confident | 84.6 | Confident | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -116.7 | -4.9 | 172 | 87 | 0 | 0 | 0 | 0 | 114.2 | C70 H90 P91 M96 F97 F109 | C70-C93 PolarHBondContact O-SG 2.83Å; C70-C93 VanDerWaalsContact O-SG 3.4Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 3Å; P91-C93 PolarHBondContact O-N 2.82Å; C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.28Å; C93-F97 WeakPolarHBondContact O-CD2 3.27Å; C93-F109 HydrophobicContact CB-CD1 4.17Å; C93-F109 HydrophobicContact CB-CD2 4.06Å; C93-F109 HydrophobicContact CB-CE1 4.02Å; C93-F109 HydrophobicContact CB-CE2 3.91Å; C93-F109 HydrophobicContact CB-CG 4.18Å; C93-F109 HydrophobicContact CB-CZ 3.89Å |
| 94 | G | 76.8 | Confident | 83.7 | Confident | 18 Ų | 18 | 66.3 Ų | 66.3 | 19% | 0.186 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -51.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113 | P91 M96 F97 E98 | P91-G94 PolarHBondContact O-N 3.44Å; G94-M96 PolarHBondContact O-N 3.13Å; G94-F97 PolarHBondContact O-N 3.06Å; G94-E98 PolarHBondContact O-N 3.39Å; G94-E98 VanDerWaalsContact O-N 3.09Å |
| 95 | D | 79.4 | Confident | 82.7 | Confident | 111 Ų | 111 | 68.3 Ų | 68.3 | 59% | 0.594 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -50.7 | -32.1 | 178.2 | -39.3 | 8.8 | 0 | 0 | 0 | 112.1 | F97 | D95-F97 PolarHBondContact O-N 2.92Å |
| 96 | M | 77.3 | Confident | 81.5 | Confident | 68 Ų | 68 | 79.3 Ų | 79.3 | 34% | 0.335 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -71.6 | -9.8 | -177.2 | -49.4 | -165.3 | 174.8 | 0 | 0 | 113.7 | C93 G94 R105 F109 | C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.28Å; G94-M96 PolarHBondContact O-N 3.13Å; M96-R105 PolarHBondContact O-NH2 2.81Å; M96-R105 PolarHBondContact SD-NH1 3.06Å; M96-F109 HydrophobicContact CE-CD2 3.64Å; M96-F109 HydrophobicContact CE-CE2 4.15Å; M96-F109 HydrophobicContact SD-CB 4.47Å; M96-F109 HydrophobicContact SD-CD2 4.02Å |
| 97 | F | 76.9 | Confident | 80.6 | Confident | 4 Ų | 4 | 86.1 Ų | 86.1 | 2% | 0.018 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -124.7 | -23.1 | 179.2 | -58.8 | -71 | 0 | 0 | 0 | 112.8 | I19 A23 L89 C93 G94 D95 N99 G100 F102 | I19-F97 HydrophobicContact CG2-CE1 4.46Å; I19-F97 HydrophobicContact CG2-CZ 3.83Å; A23-F97 HydrophobicContact CB-CB 4.46Å; A23-F97 HydrophobicContact CB-CD1 3.9Å; A23-F97 HydrophobicContact CB-CD2 4.03Å; A23-F97 HydrophobicContact CB-CE1 4.1Å; A23-F97 HydrophobicContact CB-CE2 4.23Å; A23-F97 HydrophobicContact CB-CG 3.87Å; A23-F97 HydrophobicContact CB-CZ 4.26Å; L89-F97 HydrophobicContact CD2-CD2 4.38Å; L89-F97 HydrophobicContact CD2-CE2 4.25Å; C93-F97 WeakPolarHBondContact O-CD2 3.27Å; G94-F97 PolarHBondContact O-N 3.06Å; D95-F97 PolarHBondContact O-N 2.92Å; F97-N99 PolarHBondContact O-N 3.4Å; F97-G100 PolarHBondContact O-N 3.41Å; F97-F102 HydrophobicContact CB-CE1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 4.11Å; F97-F102 HydrophobicContact CD1-CE1 4.31Å; F97-F102 WeakPolarHBondContact O-CZ 3.37Å |
| 98 | E | 72.9 | Confident | 79.6 | Confident | 148 Ų | 148 | 93 Ų | 93 | 69% | 0.692 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -61.1 | -41 | -179 | -172.1 | 154.8 | -144 | 0 | 0 | 113 | G94 G100 | G94-E98 PolarHBondContact O-N 3.39Å; G94-E98 VanDerWaalsContact O-N 3.09Å; E98-G100 PolarHBondContact O-N 3.05Å |
| 99 | N | 72 | Confident | 78.9 | Confident | 146 Ų | 146 | 94 Ų | 94 | 78% | 0.781 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.5 | 29.9 | 174.8 | -66.5 | -32.4 | 0 | 0 | 0 | 113.9 | F97 S101 | F97-N99 PolarHBondContact O-N 3.4Å; N99-S101 PolarHBondContact O-N 2.96Å |
| 100 | G | 69.6 | Low | 78.2 | Confident | 48 Ų | 48 | 100 Ų | 100 | 50% | 0.495 | 48% | 0.478 | S | S | . | . | S | Bend | trans | 66.6 | 2.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 116.4 | F97 E98 F102 | F97-G100 PolarHBondContact O-N 3.41Å; E98-G100 PolarHBondContact O-N 3.05Å; G100-F102 VanDerWaalsContact C-N 3.29Å; G100-F102 VanDerWaalsContact O-CD2 3.23Å; G100-F102 WeakPolarHBondContact O-CD2 3.49Å; G100-F102 PolarHBondContact O-N 3.42Å |
| 101 | S | 79.1 | Confident | 77.6 | Confident | 65 Ų | 65 | 101 Ų | 101 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | trans | -82.3 | 65.9 | -170.7 | -161.8 | 0 | 0 | 0 | 0 | 113.2 | N99 L103 | N99-S101 PolarHBondContact O-N 2.96Å; S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 2.89Å | ||
| 102 | F | 80 | Confident | 76.8 | Confident | 37 Ų | 37 | 105 Ų | 105 | 16% | 0.162 | 50% | 0.501 | C | S | . | . | trans | -78.8 | -1.7 | 178.6 | -62.3 | -70.1 | 0 | 0 | 0 | 114.4 | Y16 S20 M24 Q27 F97 G100 | Y16-F102 HydrophobicContact CD1-CB 3.9Å; Y16-F102 HydrophobicContact CE1-CB 3.81Å; S20-F102 WeakPolarHBondContact CB-O 3.45Å; S20-F102 PolarHBondContact OG-O 3.49Å; M24-F102 HydrophobicContact CB-CE1 4.47Å; M24-F102 HydrophobicContact CG-CD1 3.5Å; M24-F102 VanDerWaalsContact CG-CD1 3.5Å; M24-F102 HydrophobicContact CG-CD2 4.24Å; M24-F102 HydrophobicContact CG-CE1 3.39Å; M24-F102 HydrophobicContact CG-CE2 4.16Å; M24-F102 HydrophobicContact CG-CG 3.94Å; M24-F102 HydrophobicContact CG-CZ 3.75Å; M24-F102 HydrophobicContact SD-CD1 4.25Å; M24-F102 HydrophobicContact SD-CD2 4.28Å; M24-F102 HydrophobicContact SD-CG 4.11Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å; F97-F102 HydrophobicContact CB-CE1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 4.11Å; F97-F102 HydrophobicContact CD1-CE1 4.31Å; F97-F102 WeakPolarHBondContact O-CZ 3.37Å; G100-F102 VanDerWaalsContact C-N 3.29Å; G100-F102 VanDerWaalsContact O-CD2 3.23Å; G100-F102 WeakPolarHBondContact O-CD2 3.49Å; G100-F102 PolarHBondContact O-N 3.42Å | ||
| 103 | L | 78.8 | Confident | 75.4 | Confident | 116 Ų | 116 | 102.3 Ų | 102.3 | 61% | 0.607 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -71 | 160.6 | -179.9 | -64.4 | 178.4 | 0 | 0 | 0 | 112.7 | S101 R105 | S101-L103 VanDerWaalsContact C-N 3.25Å; S101-L103 PolarHBondContact O-N 2.89Å; L103-R105 PolarHBondContact O-N 2.99Å |
| 104 | R | 69.4 | Low | 73.8 | Confident | 226 Ų | 226 | 107.6 Ų | 107.6 | 85% | 0.853 | 54% | 0.543 | S | S | * | . | trans | -65 | 103.3 | -178.1 | -179.2 | -176.1 | 168.4 | -137.7 | -2.1 | 111.8 | ||||
| 105 | R | 73.1 | Confident | 72.6 | Confident | 93 Ų | 93 | 111.2 Ų | 111.2 | 35% | 0.351 | 57% | 0.571 | S | S | . | * | trans | -64.4 | 144.6 | 175.3 | -153.1 | 172.5 | -61.2 | 133 | 10.3 | 112.1 | M96 L103 K107 | M96-R105 PolarHBondContact O-NH2 2.81Å; M96-R105 PolarHBondContact SD-NH1 3.06Å; L103-R105 PolarHBondContact O-N 2.99Å; R105-K107 WeakPolarHBondContact CG-O 3.36Å | ||
| 106 | R | 68.7 | Low | 71.1 | Confident | 259 Ų | 259 | 112.7 Ų | 112.7 | 98% | 0.977 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -77.1 | -41.9 | 175.6 | -70.5 | -177.4 | -179.8 | 141.5 | -1.3 | 113 | ||
| 107 | K | 76.9 | Confident | 69.9 | Low | 173 Ų | 173 | 118.5 Ų | 118.5 | 75% | 0.752 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -91.5 | 131.5 | 176.2 | -171.1 | 174.8 | 179.5 | -179.9 | 0 | 109.5 | R105 | R105-K107 WeakPolarHBondContact CG-O 3.36Š|
| 108 | R | 77.8 | Confident | 68.5 | Low | 171 Ų | 171 | 126 Ų | 126 | 65% | 0.645 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 146.3 | 171.4 | -70.2 | -176.8 | 178.7 | -102.3 | 9.8 | 110.1 | N68 | N68-R108 PolarHBondContact OD1-NH1 3.16Š|
| 109 | F | 79.9 | Confident | 66.8 | Low | 31 Ų | 31 | 122 Ų | 122 | 14% | 0.136 | 64% | 0.642 | C | S | . | * | P | Polyproline II helix | trans | -67.5 | 149.4 | 160.6 | 178.9 | -108.7 | 0 | 0 | 0 | 109.4 | D69 C70 H90 N92 C93 M96 V111 | D69-F109 HydrophobicContact CB-CD1 4.12Å; D69-F109 HydrophobicContact CB-CE1 3.99Å; C70-F109 HydrophobicContact CB-CD1 4.37Å; C70-F109 VanDerWaalsContact SG-CD1 3.6Å; H90-F109 HydrophobicContact CB-CE1 4.39Å; N92-F109 HydrophobicContact CB-CE2 4.19Å; N92-F109 HydrophobicContact CB-CZ 4.18Å; N92-F109 VanDerWaalsContact O-CE2 3.31Å; N92-F109 WeakPolarHBondContact O-CE2 3.37Å; C93-F109 HydrophobicContact CB-CD1 4.17Å; C93-F109 HydrophobicContact CB-CD2 4.06Å; C93-F109 HydrophobicContact CB-CE1 4.02Å; C93-F109 HydrophobicContact CB-CE2 3.91Å; C93-F109 HydrophobicContact CB-CG 4.18Å; C93-F109 HydrophobicContact CB-CZ 3.89Å; M96-F109 HydrophobicContact CE-CD2 3.64Å; M96-F109 HydrophobicContact CE-CE2 4.15Å; M96-F109 HydrophobicContact SD-CB 4.47Å; M96-F109 HydrophobicContact SD-CD2 4.02Å; F109-V111 HydrophobicContact CE1-CG2 3.69Å; F109-V111 HydrophobicContact CZ-CG2 3.82Å |
| 110 | K | 80.9 | Confident | 65.9 | Low | 152 Ų | 152 | 121.5 Ų | 121.5 | 66% | 0.661 | 65% | 0.647 | S | S | * | * | trans | -147.4 | 141.5 | 166.6 | -73 | -166.5 | 171.7 | -164.4 | 0 | 107.6 | D69 L112 | D69-K110 VanDerWaalsContact OD2-CA 3.23Å; D69-K110 WeakPolarHBondContact OD2-CA 3.44Å; K110-L112 PolarHBondContact O-N 3.39Å | ||
| 111 | V | 80.4 | Confident | 64.9 | Low | 55 Ų | 55 | 124.3 Ų | 124.3 | 33% | 0.333 | 66% | 0.655 | S | S | . | * | trans | -76.3 | 112.2 | 168 | 174.4 | 0 | 0 | 0 | 0 | 108.3 | D69 F109 G113 | D69-V111 HydrophobicContact CB-CB 4.32Å; D69-V111 HydrophobicContact CB-CG2 3.73Å; D69-V111 PolarHBondContact OD2-N 3.3Å; F109-V111 HydrophobicContact CE1-CG2 3.69Å; F109-V111 HydrophobicContact CZ-CG2 3.82Å; V111-G113 PolarHBondContact O-N 3.05Å; V111-G113 VanDerWaalsContact O-N 3.11Å | ||
| 112 | L | 73.5 | Confident | 63.5 | Low | 177 Ų | 177 | 129.1 Ų | 129.1 | 93% | 0.927 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -80.1 | 84.4 | 174.4 | -70.7 | 171 | 0 | 0 | 0 | 109.4 | K110 | K110-L112 PolarHBondContact O-N 3.39Š|
| 113 | G | 55 | Low | 62 | Low | 51 Ų | 51 | 136.5 Ų | 136.5 | 53% | 0.526 | 70% | 0.703 | S | S | . | * | trans | 140.5 | 92.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | V111 | V111-G113 PolarHBondContact O-N 3.05Å; V111-G113 VanDerWaalsContact O-N 3.11Å | ||
| 114 | A | 51.6 | Low | 60.7 | Low | 110 Ų | 110 | 134.3 Ų | 134.3 | 91% | 0.909 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -141.4 | 1.8 | 154.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||
| 115 | A | 51.4 | Low | 60 | Low | 95 Ų | 95 | 127.4 Ų | 127.4 | 79% | 0.785 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -146.9 | -27.3 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | H117 | A115-H117 PolarHBondContact O-N 2.85Š|
| 116 | D | 48.1 | Very low | 59.4 | Low | 141 Ų | 141 | 126.6 Ų | 126.6 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | trans | -93.5 | 88.2 | -177.4 | -65.9 | -50.9 | 0 | 0 | 0 | 112.3 | ||||
| 117 | H | 50.9 | Low | 59.2 | Low | 190 Ų | 190 | 117.1 Ų | 117.1 | 88% | 0.88 | 67% | 0.667 | S | S | * | * | trans | -102.2 | 14.3 | 162.4 | -132.8 | -66.1 | 0 | 0 | 0 | 112.6 | A115 | A115-H117 PolarHBondContact O-N 2.85Š| ||
| 118 | L | 49.4 | Very low | 58.6 | Low | 163 Ų | 163 | 115.2 Ų | 115.2 | 85% | 0.853 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -141 | 104.1 | -178.9 | -70.8 | 175.3 | 0 | 0 | 0 | 112.4 | ||
| 119 | G | 36.2 | Very low | 58.2 | Low | 62 Ų | 62 | 114.4 Ų | 114.4 | 64% | 0.639 | 66% | 0.659 | S | S | * | * | trans | 96.9 | 112.1 | 154.6 | 0 | 0 | 0 | 0 | 0 | 118 | T121 | G119-T121 PolarHBondContact O-N 3.34Š| ||
| 120 | P | 53.5 | Low | 58 | Low | 136 Ų | 136 | 118.6 Ų | 118.6 | 88% | 0.883 | 68% | 0.682 | S | S | * | * | trans | -89.3 | 47.9 | 178.1 | 37.1 | -36.5 | 0 | 0 | 0 | 114 | ||||
| 121 | T | 47.6 | Very low | 57.9 | Low | 108 Ų | 108 | 118.4 Ų | 118.4 | 66% | 0.663 | 68% | 0.684 | S | S | * | * | trans | -141.1 | 102.4 | -175.7 | 44.3 | 0 | 0 | 0 | 0 | 114.2 | G119 | G119-T121 PolarHBondContact O-N 3.34Š| ||
| 122 | K | 51.4 | Low | 57.7 | Low | 166 Ų | 166 | 121 Ų | 121 | 72% | 0.722 | 69% | 0.692 | S | S | * | * | trans | -173.3 | 21 | 152.4 | -109.4 | 152.3 | -169.1 | 170.9 | 0 | 119 | D125 | K122-D125 VanDerWaalsContact CE-OD2 3.3Å; K122-D125 WeakPolarHBondContact CE-OD2 3.29Å; K122-D125 WeakPolarHBondContact CG-OD2 3.4Å | ||
| 123 | Q | 47.9 | Very low | 57.7 | Low | 192 Ų | 192 | 117 Ų | 117 | 90% | 0.897 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -88 | -11.5 | 168.6 | -68 | -172.2 | 13 | 0 | 0 | 113.5 | ||
| 124 | S | 50.8 | Low | 58.6 | Low | 70 Ų | 70 | 117.3 Ų | 117.3 | 49% | 0.49 | 67% | 0.666 | S | S | . | * | S | Bend | trans | -70 | -47.3 | 171.9 | 41.3 | 0 | 0 | 0 | 0 | 113.3 | A126 A127 H128 | S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.29Å; S124-A127 PolarHBondContact O-N 2.98Å; S124-A127 VanDerWaalsContact O-N 3.12Å; S124-H128 PolarHBondContact O-N 3.14Å |
| 125 | D | 55.9 | Low | 59.8 | Low | 80 Ų | 80 | 120 Ų | 120 | 43% | 0.428 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -66.8 | -35.8 | -160.8 | -58.1 | 5.2 | 0 | 0 | 0 | 112.1 | K122 A127 H128 Y129 | K122-D125 VanDerWaalsContact CE-OD2 3.3Å; K122-D125 WeakPolarHBondContact CE-OD2 3.29Å; K122-D125 WeakPolarHBondContact CG-OD2 3.4Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.17Å; D125-H128 PolarHBondContact O-N 3.42Å; D125-Y129 VanDerWaalsContact O-CB 3.26Å; D125-Y129 WeakPolarHBondContact O-CB 3.48Å; D125-Y129 PolarHBondContact O-N 3.26Å |
| 126 | A | 59.1 | Low | 60.8 | Low | 76 Ų | 76 | 120.8 Ų | 120.8 | 63% | 0.628 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64.1 | -37.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | S124 L130 | S124-A126 VanDerWaalsContact C-N 3.34Å; S124-A126 PolarHBondContact O-N 3.29Å; A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 PolarHBondContact O-N 2.9Å |
| 127 | A | 64.1 | Low | 61.7 | Low | 61 Ų | 61 | 123.5 Ų | 123.5 | 50% | 0.504 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -72.3 | -43.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S124 D125 L130 Q131 | S124-A127 PolarHBondContact O-N 2.98Å; S124-A127 VanDerWaalsContact O-N 3.12Å; D125-A127 VanDerWaalsContact C-N 3.34Å; D125-A127 PolarHBondContact O-N 3.17Å; A127-L130 PolarHBondContact O-N 3.45Å; A127-Q131 WeakPolarHBondContact O-CB 3.41Å; A127-Q131 PolarHBondContact O-N 2.84Å |
| 128 | H | 66.3 | Low | 62.3 | Low | 133 Ų | 133 | 120.3 Ų | 120.3 | 62% | 0.616 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -63.9 | -42.7 | 179.5 | -159.2 | -86.6 | 0 | 0 | 0 | 112 | S124 D125 Q131 Q132 | S124-H128 PolarHBondContact O-N 3.14Å; D125-H128 PolarHBondContact O-N 3.42Å; H128-Q131 PolarHBondContact O-N 2.98Å; H128-Q132 VanDerWaalsContact O-CB 3.28Å; H128-Q132 WeakPolarHBondContact O-CB 3.36Å; H128-Q132 PolarHBondContact O-N 3.42Å |
| 129 | Y | 68.7 | Low | 63.2 | Low | 154 Ų | 154 | 115.7 Ų | 115.7 | 60% | 0.604 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -63 | -45.6 | 176.4 | -172.7 | -93.6 | 0 | 0 | 0 | 112 | D125 Q131 Q132 Q133 | D125-Y129 VanDerWaalsContact O-CB 3.26Å; D125-Y129 WeakPolarHBondContact O-CB 3.48Å; D125-Y129 PolarHBondContact O-N 3.26Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-Q131 PolarHBondContact O-N 3.29Å; Y129-Q132 PolarHBondContact O-N 3.01Å; Y129-Q133 WeakPolarHBondContact O-CB 3.27Å; Y129-Q133 PolarHBondContact O-N 3.04Å |
| 130 | L | 74.9 | Confident | 64.3 | Low | 119 Ų | 119 | 116 Ų | 116 | 62% | 0.623 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.3 | -41.9 | 177.3 | -173.7 | 66.4 | 0 | 0 | 0 | 111.7 | A126 A127 Q133 A134 | A126-L130 WeakPolarHBondContact O-CB 3.48Å; A126-L130 PolarHBondContact O-N 2.9Å; A127-L130 PolarHBondContact O-N 3.45Å; L130-Q133 PolarHBondContact O-N 2.94Å; L130-A134 PolarHBondContact O-N 3.14Å |
| 131 | Q | 78.4 | Confident | 64.5 | Low | 148 Ų | 148 | 115.8 Ų | 115.8 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.4 | -34.4 | 178.5 | -168.6 | 160.5 | 5.3 | 0 | 0 | 112.6 | A127 H128 Y129 A134 K135 | A127-Q131 WeakPolarHBondContact O-CB 3.41Å; A127-Q131 PolarHBondContact O-N 2.84Å; H128-Q131 PolarHBondContact O-N 2.98Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-Q131 PolarHBondContact O-N 3.29Å; Q131-A134 PolarHBondContact O-N 3.09Å; Q131-K135 WeakPolarHBondContact O-CB 3.33Å; Q131-K135 PolarHBondContact O-N 3.04Å |
| 132 | Q | 76.6 | Confident | 64.9 | Low | 109 Ų | 109 | 114.6 Ų | 114.6 | 51% | 0.509 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -66 | -40.7 | 172.2 | -172.1 | 170.4 | 2.7 | 0 | 0 | 111.6 | H128 Y129 K135 L136 | H128-Q132 VanDerWaalsContact O-CB 3.28Å; H128-Q132 WeakPolarHBondContact O-CB 3.36Å; H128-Q132 PolarHBondContact O-N 3.42Å; Y129-Q132 PolarHBondContact O-N 3.01Å; Q132-K135 PolarHBondContact O-N 3.35Å; Q132-L136 WeakPolarHBondContact O-CG 3.34Å; Q132-L136 PolarHBondContact O-N 3.23Å |
| 133 | Q | 73.3 | Confident | 64.8 | Low | 93 Ų | 93 | 110.6 Ų | 110.6 | 44% | 0.435 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.4 | -36.9 | 175.7 | -160.7 | 176.1 | 80.1 | 0 | 0 | 112 | Y129 L130 R137 | Y129-Q133 WeakPolarHBondContact O-CB 3.27Å; Y129-Q133 PolarHBondContact O-N 3.04Å; L130-Q133 PolarHBondContact O-N 2.94Å; Q133-R137 PolarHBondContact O-N 3.19Å; Q133-R137 VanDerWaalsContact O-N 3.11Å |
| 134 | A | 75.2 | Confident | 64.8 | Low | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -65.6 | -39.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | L130 Q131 R137 L138 | L130-A134 PolarHBondContact O-N 3.14Å; Q131-A134 PolarHBondContact O-N 3.09Å; A134-R137 WeakPolarHBondContact O-CB 3.2Å; A134-R137 PolarHBondContact O-N 3.06Å; A134-L138 PolarHBondContact O-N 3.1Å |
| 135 | K | 75.7 | Confident | 64.5 | Low | 165 Ų | 165 | 106.9 Ų | 106.9 | 72% | 0.717 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -64.1 | -41.5 | 178.4 | -156.4 | 172 | -172.8 | 179.3 | 0 | 111.8 | Q131 Q132 L138 S139 | Q131-K135 WeakPolarHBondContact O-CB 3.33Å; Q131-K135 PolarHBondContact O-N 3.04Å; Q132-K135 PolarHBondContact O-N 3.35Å; K135-L138 PolarHBondContact O-N 3.08Å; K135-S139 PolarHBondContact O-N 3.1Å; K135-S139 PolarHBondContact O-OG 3.44Å |
| 136 | L | 72.6 | Confident | 64.1 | Low | 113 Ų | 113 | 109.7 Ų | 109.7 | 59% | 0.592 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -65.4 | -40.7 | 174 | -71.3 | 170.4 | 0 | 0 | 0 | 112.8 | Q132 L138 S139 A140 | Q132-L136 WeakPolarHBondContact O-CG 3.34Å; Q132-L136 PolarHBondContact O-N 3.23Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.99Å; L136-S139 WeakPolarHBondContact CA-OG 3.24Å; L136-S139 PolarHBondContact O-N 2.91Å; L136-S139 PolarHBondContact O-OG 3.06Å; L136-A140 WeakPolarHBondContact O-CB 3.19Å; L136-A140 PolarHBondContact O-N 3.04Å; L136-A140 VanDerWaalsContact O-N 3.08Å |
| 137 | R | 67.6 | Low | 62.9 | Low | 197 Ų | 197 | 115 Ų | 115 | 74% | 0.743 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -58.5 | -39.5 | 173.1 | -85.3 | -82.9 | 177.8 | 80.4 | -2.6 | 112.2 | Q133 A134 | Q133-R137 PolarHBondContact O-N 3.19Å; Q133-R137 VanDerWaalsContact O-N 3.11Å; A134-R137 WeakPolarHBondContact O-CB 3.2Å; A134-R137 PolarHBondContact O-N 3.06Å |
| 138 | L | 64.4 | Low | 61.8 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 65% | 0.649 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -76.7 | -39.2 | -179.4 | -164.7 | 66 | 0 | 0 | 0 | 112.5 | A134 K135 L136 A140 L141 A142 | A134-L138 PolarHBondContact O-N 3.1Å; K135-L138 PolarHBondContact O-N 3.08Å; L136-L138 VanDerWaalsContact C-N 3.29Å; L136-L138 PolarHBondContact O-N 2.99Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 2.74Å; L138-L141 PolarHBondContact O-N 2.91Å; L138-A142 PolarHBondContact O-N 3.4Å |
| 139 | S | 66.3 | Low | 60.9 | Low | 66 Ų | 66 | 118.2 Ų | 118.2 | 46% | 0.462 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -65 | -32.6 | 175 | 55.8 | 0 | 0 | 0 | 0 | 112.9 | K135 L136 L141 A142 A143 | K135-S139 PolarHBondContact O-N 3.1Å; K135-S139 PolarHBondContact O-OG 3.44Å; L136-S139 WeakPolarHBondContact CA-OG 3.24Å; L136-S139 PolarHBondContact O-N 2.91Å; L136-S139 PolarHBondContact O-OG 3.06Å; S139-L141 PolarHBondContact O-N 2.82Å; S139-A142 PolarHBondContact O-N 2.8Å; S139-A143 PolarHBondContact O-N 3.01Å |
| 140 | A | 59.3 | Low | 59.9 | Low | 69 Ų | 69 | 117.7 Ų | 117.7 | 57% | 0.57 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.7 | -26.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L136 L138 | L136-A140 WeakPolarHBondContact O-CB 3.19Å; L136-A140 PolarHBondContact O-N 3.04Å; L136-A140 VanDerWaalsContact O-N 3.08Å; L138-A140 VanDerWaalsContact C-N 3.29Å; L138-A140 PolarHBondContact O-N 2.74Å |
| 141 | L | 57.8 | Low | 57.7 | Low | 130 Ų | 130 | 119.8 Ų | 119.8 | 68% | 0.681 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -83.6 | -29.1 | 175.6 | -166.2 | 69.5 | 0 | 0 | 0 | 112.3 | L138 S139 A143 | L138-L141 PolarHBondContact O-N 2.91Å; S139-L141 PolarHBondContact O-N 2.82Å; L141-A143 VanDerWaalsContact C-N 3.31Å |
| 142 | A | 56.6 | Low | 56.1 | Low | 84 Ų | 84 | 118.2 Ų | 118.2 | 69% | 0.694 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -77.4 | -14.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | L138 S139 T144 | L138-A142 PolarHBondContact O-N 3.4Å; S139-A142 PolarHBondContact O-N 2.8Å; A142-T144 PolarHBondContact O-N 3.19Å |
| 143 | A | 49.5 | Very low | 53.9 | Low | 81 Ų | 81 | 118.1 Ų | 118.1 | 67% | 0.669 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -2.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | S139 L141 | S139-A143 PolarHBondContact O-N 3.01Å; L141-A143 VanDerWaalsContact C-N 3.31Å |
| 144 | T | 46.9 | Very low | 52.1 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 76% | 0.761 | 70% | 0.702 | S | S | * | * | trans | -123.8 | 71.5 | -177.4 | 57.1 | 0 | 0 | 0 | 0 | 112.8 | A142 | A142-T144 PolarHBondContact O-N 3.19Š| ||
| 145 | G | 44.8 | Very low | 50.4 | Low | 61 Ų | 61 | 127.5 Ų | 127.5 | 63% | 0.629 | 71% | 0.714 | S | S | * | * | trans | -143.1 | 147.7 | 157.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 146 | T | 47.4 | Very low | 48.5 | Very low | 139 Ų | 139 | 127.3 Ų | 127.3 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | cis | -154.3 | 145.6 | 2.9 | 47.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 147 | H | 35.7 | Very low | 46.5 | Very low | 187 Ų | 187 | 125.7 Ų | 125.7 | 87% | 0.866 | 73% | 0.73 | S | S | * | * | trans | -164 | 153.4 | 145.3 | -144.1 | -102.1 | 0 | 0 | 0 | 112.3 | ||||
| 148 | L | 40.4 | Very low | 45.1 | Very low | 136 Ų | 136 | 123.2 Ų | 123.2 | 71% | 0.712 | 74% | 0.737 | S | S | * | * | trans | -100.2 | 162.6 | 170.5 | -141.9 | 75.7 | 0 | 0 | 0 | 109 | ||||
| 149 | P | 47.2 | Very low | 43.7 | Very low | 125 Ų | 125 | 122.9 Ų | 122.9 | 81% | 0.812 | 75% | 0.745 | S | S | * | * | -139 | 162.6 | 76.2 | 24.9 | -3.2 | 0 | 0 | 0 | 115.1 | |||||
| 150 | Q | 47.4 | Very low | 42.4 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 67% | 0.668 | 77% | 0.765 | S | S | * | * | trans | -54 | 137.1 | 164.9 | 164.7 | -164.6 | -35.1 | 0 | 0 | 112.7 | ||||
| 151 | M | 29.7 | Very low | 41.1 | Very low | 163 Ų | 163 | 131.1 Ų | 131.1 | 80% | 0.803 | 78% | 0.778 | S | S | * | * | -165.7 | 149.1 | 128.4 | -84.7 | -37.7 | 143.4 | 0 | 0 | 110.9 | |||||
| 152 | S | 44.2 | Very low | 40.2 | Very low | 115 Ų | 115 | 130.5 Ų | 130.5 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -95.6 | 140 | 179.6 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 153 | S | 30.1 | Very low | 39.8 | Very low | 108 Ų | 108 | 132.3 Ų | 132.3 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -171.7 | 169.7 | 145 | -96.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 154 | Y | 34.4 | Very low | 39.6 | Very low | 212 Ų | 212 | 136.5 Ų | 136.5 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -35.6 | 143.9 | -165.4 | 49.2 | -94.3 | 0 | 0 | 0 | 122.4 | ||||
| 155 | N | 40.8 | Very low | 40 | Very low | 136 Ų | 136 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -31.1 | 163.3 | 153.2 | -166.7 | 22.6 | 0 | 0 | 0 | 120 | ||||
| 156 | L | 35.7 | Very low | 40.8 | Very low | 161 Ų | 161 | 140.4 Ų | 140.4 | 84% | 0.843 | 78% | 0.781 | S | S | * | * | trans | 83.5 | 111.8 | 148.9 | -138.8 | 76.2 | 0 | 0 | 0 | 120.2 | ||||
| 157 | G | 30.5 | Very low | 41.4 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | 175.9 | 124.9 | 166.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 158 | V | 38.9 | Very low | 42.6 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -95.5 | 135.3 | -177.3 | 165.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 159 | S | 33.5 | Very low | 44.1 | Very low | 117 Ų | 117 | 132.7 Ų | 132.7 | 82% | 0.818 | 74% | 0.743 | S | S | * | * | trans | -168.6 | 151.9 | 139 | 43.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 160 | Q | 38.8 | Very low | 44.7 | Very low | 188 Ų | 188 | 132.7 Ų | 132.7 | 88% | 0.879 | 74% | 0.735 | S | S | * | * | trans | -102.4 | 156 | 176.4 | -62.5 | -179.2 | 8.5 | 0 | 0 | 111.1 | ||||
| 161 | S | 33.3 | Very low | 45.7 | Very low | 121 Ų | 121 | 133.2 Ų | 133.2 | 85% | 0.846 | 74% | 0.738 | S | S | * | * | trans | -157.1 | 169.2 | 139.8 | 67 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 162 | S | 38.6 | Very low | 47 | Very low | 117 Ų | 117 | 128.1 Ų | 128.1 | 82% | 0.818 | 71% | 0.713 | S | S | * | * | trans | 79 | 86.7 | 174.3 | -152.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 163 | T | 47.7 | Very low | 47.9 | Very low | 122 Ų | 122 | 127.8 Ų | 127.8 | 75% | 0.748 | 70% | 0.702 | S | S | * | * | trans | -80.2 | 110.2 | 169.4 | 45.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 164 | F | 46.4 | Very low | 49.5 | Very low | 168 Ų | 168 | 128.8 Ų | 128.8 | 74% | 0.737 | 70% | 0.697 | S | S | * | * | trans | -126.7 | 77.9 | 158.9 | -163.2 | -106 | 0 | 0 | 0 | 111.2 | H166 | F164-H166 AromaticContact CE1-CD2 3.85Å; F164-H166 AromaticContact CE1-CE1 3.75Å; F164-H166 AromaticContact CE1-NE2 3.61Å; F164-H166 PolarHBondContact O-N 3.48Å | ||
| 165 | K | 55.4 | Low | 50.4 | Low | 158 Ų | 158 | 122 Ų | 122 | 69% | 0.687 | 69% | 0.685 | S | S | * | * | trans | -76.9 | 86.2 | -176.8 | -68 | -166.8 | 175.2 | -168.7 | 0 | 111.4 | ||||
| 166 | H | 60.5 | Low | 51 | Low | 110 Ų | 110 | 125.8 Ų | 125.8 | 51% | 0.509 | 69% | 0.689 | S | S | . | * | trans | -54.7 | 140.1 | 169 | -98.2 | -57.9 | 0 | 0 | 0 | 111.2 | F164 F168 A169 N172 | F164-H166 AromaticContact CE1-CD2 3.85Å; F164-H166 AromaticContact CE1-CE1 3.75Å; F164-H166 AromaticContact CE1-NE2 3.61Å; F164-H166 PolarHBondContact O-N 3.48Å; H166-F168 PolarHBondContact O-N 3.45Å; H166-F168 VanDerWaalsContact O-N 3.08Å; H166-A169 HydrophobicContact CB-CB 4.42Å; H166-A169 WeakPolarHBondContact O-CB 3.38Å; H166-A169 PolarHBondContact O-N 2.93Å; H166-N172 PolarHBondContact O-ND2 2.9Å; H166-N172 VanDerWaalsContact O-ND2 3.14Å | ||
| 167 | P | 60.7 | Low | 51.7 | Low | 98 Ų | 98 | 127 Ų | 127 | 64% | 0.636 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -9.9 | 178.1 | 27.2 | -35 | 0 | 0 | 0 | 113.8 | ||
| 168 | F | 59.4 | Low | 52.2 | Low | 172 Ų | 172 | 133 Ų | 133 | 75% | 0.754 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.6 | 11.5 | 175.9 | -53.7 | -67.8 | 0 | 0 | 0 | 113.4 | H166 I170 | H166-F168 PolarHBondContact O-N 3.45Å; H166-F168 VanDerWaalsContact O-N 3.08Å; F168-I170 PolarHBondContact O-N 3.33Å |
| 169 | A | 72.7 | Confident | 52.1 | Low | 30 Ų | 30 | 135.9 Ų | 135.9 | 25% | 0.248 | 69% | 0.691 | C | S | . | * | trans | -62.9 | 135 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | H166 E171 N172 I173 | H166-A169 HydrophobicContact CB-CB 4.42Å; H166-A169 WeakPolarHBondContact O-CB 3.38Å; H166-A169 PolarHBondContact O-N 2.93Å; A169-E171 PolarHBondContact O-N 3.17Å; A169-N172 WeakPolarHBondContact O-CB 3.36Å; A169-N172 PolarHBondContact O-N 3.26Å; A169-I173 PolarHBondContact O-N 2.96Å | ||
| 170 | I | 59.3 | Low | 52.3 | Low | 125 Ų | 125 | 136.5 Ų | 136.5 | 64% | 0.641 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -57.7 | -37 | -172.4 | -66.6 | 167.8 | 0 | 0 | 0 | 111.7 | F168 N172 I173 I174 | F168-I170 PolarHBondContact O-N 3.33Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.08Å; I170-I173 WeakPolarHBondContact O-CB 3.35Å; I170-I173 PolarHBondContact O-N 3.34Å; I170-I174 HydrophobicContact CG2-CD1 3.66Å; I170-I174 HydrophobicContact CG2-CG1 4.23Å; I170-I174 WeakPolarHBondContact O-CG1 3.33Å; I170-I174 PolarHBondContact O-N 3.09Å |
| 171 | E | 68.5 | Low | 52.4 | Low | 154 Ų | 154 | 133.4 Ų | 133.4 | 72% | 0.72 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -53.7 | -44 | 173.2 | -64.6 | 164.7 | -128.5 | 0 | 0 | 112.9 | A169 I173 I174 A175 | A169-E171 PolarHBondContact O-N 3.17Å; E171-I173 PolarHBondContact O-N 3.06Å; E171-I174 PolarHBondContact O-N 3.11Å; E171-A175 WeakPolarHBondContact O-CB 3.37Å; E171-A175 PolarHBondContact O-N 2.98Å |
| 172 | N | 57.9 | Low | 53 | Low | 55 Ų | 55 | 131.5 Ų | 131.5 | 29% | 0.294 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -73.6 | -13.4 | 179.7 | -70.2 | -33.2 | 0 | 0 | 0 | 113.4 | H166 A169 I170 | H166-N172 PolarHBondContact O-ND2 2.9Å; H166-N172 VanDerWaalsContact O-ND2 3.14Å; A169-N172 WeakPolarHBondContact O-CB 3.36Å; A169-N172 PolarHBondContact O-N 3.26Å; I170-N172 VanDerWaalsContact C-N 3.32Å; I170-N172 PolarHBondContact O-N 3.08Å |
| 173 | I | 63.6 | Low | 52.7 | Low | 109 Ų | 109 | 131.8 Ų | 131.8 | 56% | 0.559 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -89.1 | -46.1 | 175.8 | -59.8 | 174 | 0 | 0 | 0 | 109.4 | A169 I170 E171 | A169-I173 PolarHBondContact O-N 2.96Å; I170-I173 WeakPolarHBondContact O-CB 3.35Å; I170-I173 PolarHBondContact O-N 3.34Å; E171-I173 PolarHBondContact O-N 3.06Å |
| 174 | I | 62.7 | Low | 52.5 | Low | 128 Ų | 128 | 133.8 Ų | 133.8 | 66% | 0.656 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -68.5 | -38.3 | 179.5 | -62.7 | 172.2 | 0 | 0 | 0 | 111.5 | I170 E171 R176 | I170-I174 HydrophobicContact CG2-CD1 3.66Å; I170-I174 HydrophobicContact CG2-CG1 4.23Å; I170-I174 WeakPolarHBondContact O-CG1 3.33Å; I170-I174 PolarHBondContact O-N 3.09Å; E171-I174 PolarHBondContact O-N 3.11Å; I174-R176 PolarHBondContact O-N 2.95Å |
| 175 | A | 54.6 | Low | 52.2 | Low | 70 Ų | 70 | 130.2 Ų | 130.2 | 58% | 0.579 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | 3.6 | -173.5 | 0 | 0 | 0 | 0 | 0 | 116.1 | E171 | E171-A175 WeakPolarHBondContact O-CB 3.37Å; E171-A175 PolarHBondContact O-N 2.98Å |
| 176 | R | 52.4 | Low | 51.1 | Low | 215 Ų | 215 | 132.2 Ų | 132.2 | 81% | 0.811 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.3 | -20.6 | -175.9 | -68.3 | -168.3 | 177.7 | -137.7 | -3.5 | 115.1 | I174 | I174-R176 PolarHBondContact O-N 2.95Š|
| 177 | E | 51 | Low | 50 | Low | 187 Ų | 187 | 132 Ų | 132 | 87% | 0.874 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -133.9 | 73.4 | -175.6 | -68.9 | -170.3 | 177.7 | 0 | 0 | 113.2 | ||
| 178 | Y | 41.2 | Very low | 49 | Very low | 204 Ų | 204 | 133.7 Ų | 133.7 | 80% | 0.8 | 72% | 0.722 | S | S | * | * | trans | -142.8 | 116.1 | 142.4 | 78.5 | -76.3 | 0 | 0 | 0 | 111.1 | ||||
| 179 | K | 34.9 | Very low | 48.1 | Very low | 206 Ų | 206 | 132.8 Ų | 132.8 | 90% | 0.896 | 72% | 0.723 | S | S | * | * | trans | -141.2 | 67.2 | 164 | -170 | 146.3 | -175.2 | 170.7 | 0 | 110.4 | ||||
| 180 | V | 39.6 | Very low | 46.5 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 79% | 0.788 | 75% | 0.746 | S | S | * | * | trans | -70.7 | 128.3 | 165 | -179.4 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 181 | P | 40.3 | Very low | 45.2 | Very low | 122 Ų | 122 | 138 Ų | 138 | 79% | 0.792 | 75% | 0.751 | S | S | * | * | trans | -81.1 | 134.3 | 178.4 | 31.7 | -33.1 | 0 | 0 | 0 | 111.4 | ||||
| 182 | G | 45.9 | Very low | 43.7 | Very low | 81 Ų | 81 | 139.1 Ų | 139.1 | 84% | 0.835 | 76% | 0.758 | S | S | * | * | trans | 105.4 | 102.4 | 167 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 183 | S | 32.4 | Very low | 42.4 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 87% | 0.867 | 79% | 0.786 | S | S | * | * | trans | -152.4 | 162 | 145.6 | -166.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 184 | L | 42.8 | Very low | 41.3 | Very low | 163 Ų | 163 | 142 Ų | 142 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | trans | -108.4 | 154.6 | -164 | -64.7 | 169.1 | 0 | 0 | 0 | 113.1 | ||||
| 185 | A | 39.5 | Very low | 39.8 | Very low | 93 Ų | 93 | 139.6 Ų | 139.6 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 52.5 | 122.2 | 153 | 0 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 186 | F | 33.2 | Very low | 38.9 | Very low | 200 Ų | 200 | 147.5 Ų | 147.5 | 88% | 0.877 | 82% | 0.821 | S | S | * | * | -151.4 | 149.5 | 102.5 | -151.6 | -99.8 | 0 | 0 | 0 | 110.8 | |||||
| 187 | S | 38 | Very low | 39.2 | Very low | 105 Ų | 105 | 142.5 Ų | 142.5 | 73% | 0.734 | 82% | 0.817 | S | S | * | * | trans | -116.5 | 142.5 | -175.4 | -62 | 0 | 0 | 0 | 0 | 112 | ||||
| 188 | T | 38.9 | Very low | 38.4 | Very low | 134 Ų | 134 | 141.6 Ų | 141.6 | 82% | 0.822 | 82% | 0.817 | S | S | * | * | trans | -147.6 | 149.1 | 162.2 | -61.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 189 | M | 40.8 | Very low | 38 | Very low | 154 Ų | 154 | 139.7 Ų | 139.7 | 76% | 0.759 | 82% | 0.815 | S | S | * | * | trans | -98.9 | 162.4 | -177.8 | -68.8 | 178.6 | 153.4 | 0 | 0 | 112 | ||||
| 190 | Q | 39.3 | Very low | 37.9 | Very low | 158 Ų | 158 | 134.9 Ų | 134.9 | 74% | 0.738 | 80% | 0.799 | S | S | * | * | cis | -133.5 | -148.2 | 0.1 | -147.2 | 93 | -102.8 | 0 | 0 | 107.5 | ||||
| 191 | S | 31.6 | Very low | 37.6 | Very low | 107 Ų | 107 | 135 Ų | 135 | 75% | 0.748 | 79% | 0.791 | S | S | * | * | cis | -154.2 | -179.3 | 8.6 | -152.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 192 | M | 36.9 | Very low | 37.3 | Very low | 176 Ų | 176 | 136.2 Ų | 136.2 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -64.1 | 140.1 | 176.7 | -54.9 | -99.8 | 80.5 | 0 | 0 | 114 | ||||
| 193 | S | 31.4 | Very low | 36.7 | Very low | 126 Ų | 126 | 137.9 Ų | 137.9 | 88% | 0.881 | 78% | 0.784 | S | S | * | * | -169.7 | 161.2 | 119.6 | -163 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 194 | A | 40.9 | Very low | 37 | Very low | 100 Ų | 100 | 137.7 Ų | 137.7 | 83% | 0.826 | 78% | 0.778 | S | S | * | * | trans | -110.9 | 152.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 195 | G | 30.1 | Very low | 36.5 | Very low | 76 Ų | 76 | 134 Ų | 134 | 78% | 0.784 | 77% | 0.771 | S | S | * | * | trans | 163.5 | 109.1 | 172 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 196 | Y | 36.1 | Very low | 36.4 | Very low | 237 Ų | 237 | 141 Ų | 141 | 93% | 0.929 | 78% | 0.778 | S | S | * | * | trans | -94.5 | -178.8 | 160.1 | -69.9 | -81.1 | 0 | 0 | 0 | 109 | ||||
| 197 | P | 58.1 | Low | 36.8 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 71% | 0.708 | 77% | 0.774 | S | S | * | * | -136.4 | 146.8 | -86 | 37.8 | -19.3 | 0 | 0 | 0 | 114.7 | |||||
| 198 | L | 34.7 | Very low | 36.9 | Very low | 169 Ų | 169 | 141.2 Ų | 141.2 | 89% | 0.885 | 78% | 0.78 | S | S | * | * | trans | -160.5 | 105.3 | 164 | -152.2 | 79.3 | 0 | 0 | 0 | 117.7 | ||||
| 199 | H | 32.4 | Very low | 36.6 | Very low | 164 Ų | 164 | 143.8 Ų | 143.8 | 76% | 0.759 | 79% | 0.785 | S | S | * | * | trans | -172.6 | 115 | 133.6 | -138.7 | 78.4 | 0 | 0 | 0 | 106.7 | ||||
| 200 | N | 32.3 | Very low | 36.2 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 56% | 0.561 | 79% | 0.788 | S | S | * | * | cis | 90.5 | 138 | 48 | -169.6 | 37.3 | 0 | 0 | 0 | 113.7 | ||||
| 201 | Q | 33.4 | Very low | 35.8 | Very low | 132 Ų | 132 | 144 Ų | 144 | 62% | 0.617 | 78% | 0.78 | S | S | * | * | trans | 75.3 | 121.7 | 178.1 | -51.4 | -59.1 | 5.5 | 0 | 0 | 120.9 | ||||
| 202 | L | 33.7 | Very low | 35.8 | Very low | 148 Ų | 148 | 143.1 Ų | 143.1 | 78% | 0.775 | 78% | 0.775 | S | S | * | * | 48.2 | 141.6 | 128 | -60.4 | 165.7 | 0 | 0 | 0 | 119.6 | |||||
| 203 | T | 34.8 | Very low | 35.6 | Very low | 116 Ų | 116 | 140 Ų | 140 | 71% | 0.712 | 77% | 0.77 | S | S | * | * | cis | -170.1 | 161 | -5 | -175.6 | 0 | 0 | 0 | 0 | 105.5 | ||||
| 204 | T | 38.9 | Very low | 36 | Very low | 119 Ų | 119 | 140.2 Ų | 140.2 | 73% | 0.73 | 77% | 0.765 | S | S | * | * | cis | -150.9 | 150.4 | 28.9 | -60.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 205 | A | 30.9 | Very low | 35.9 | Very low | 87 Ų | 87 | 143 Ų | 143 | 72% | 0.719 | 77% | 0.765 | S | S | * | * | trans | -82.8 | 154.6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 206 | W | 38.5 | Very low | 36 | Very low | 239 Ų | 239 | 146.4 Ų | 146.4 | 91% | 0.905 | 77% | 0.765 | S | S | * | * | trans | -117.2 | 112.1 | 160.5 | -73.9 | 87.9 | 0 | 0 | 0 | 108.8 | H208 | W206-H208 PolarHBondContact O-N 3.49Š| ||
| 207 | P | 41.8 | Very low | 35.8 | Very low | 122 Ų | 122 | 140.8 Ų | 140.8 | 79% | 0.792 | 76% | 0.756 | S | S | * | * | trans | -84.9 | 114.1 | -179.8 | 31.1 | -31.8 | 0 | 0 | 0 | 111.8 | ||||
| 208 | H | 40.3 | Very low | 34.6 | Very low | 188 Ų | 188 | 140.3 Ų | 140.3 | 87% | 0.87 | 76% | 0.761 | S | S | * | * | trans | -81.8 | 134.5 | 156.8 | -80.7 | -101.1 | 0 | 0 | 0 | 109.3 | W206 | W206-H208 PolarHBondContact O-N 3.49Š| ||
| 209 | M | 30.6 | Very low | 34.6 | Very low | 187 Ų | 187 | 136.7 Ų | 136.7 | 92% | 0.921 | 76% | 0.755 | S | S | * | * | trans | -82.7 | 122.4 | 171.8 | -68.9 | 176.6 | 65.5 | 0 | 0 | 110.9 | ||||
| 210 | Y | 33.8 | Very low | 35.8 | Very low | 207 Ų | 207 | 134.3 Ų | 134.3 | 81% | 0.812 | 75% | 0.754 | S | S | * | * | trans | -153 | 143.9 | 156.7 | -166.4 | -118.6 | 0 | 0 | 0 | 113.5 | ||||
| 211 | N | 30.7 | Very low | 35.9 | Very low | 109 Ų | 109 | 137.3 Ų | 137.3 | 58% | 0.583 | 77% | 0.769 | S | S | * | * | trans | 62.3 | 113.8 | 165.6 | -113.1 | 4.5 | 0 | 0 | 0 | 122.5 | ||||
| 212 | S | 32.1 | Very low | 35.9 | Very low | 90 Ų | 90 | 135.4 Ų | 135.4 | 63% | 0.629 | 77% | 0.77 | S | S | * | * | 57.7 | 109 | 117.9 | -60.1 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 213 | S | 32.2 | Very low | 35.8 | Very low | 109 Ų | 109 | 136.2 Ų | 136.2 | 76% | 0.762 | 77% | 0.772 | S | S | * | * | 43.7 | 122.2 | 115 | -48.9 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 214 | V | 40 | Very low | 35.8 | Very low | 131 Ų | 131 | 136.4 Ų | 136.4 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | -160.9 | 154.4 | 101.3 | -90.1 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 215 | I | 39.3 | Very low | 35.3 | Very low | 158 Ų | 158 | 136 Ų | 136 | 81% | 0.81 | 78% | 0.775 | S | S | * | * | trans | 14.6 | 155.3 | 152.2 | 77.7 | -166 | 0 | 0 | 0 | 121.5 | ||||
| 216 | D | 31 | Very low | 35.5 | Very low | 149 Ų | 149 | 136.4 Ų | 136.4 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | cis | -178 | 178.4 | -22.2 | -176.8 | 21.3 | 0 | 0 | 0 | 106.5 | ||||
| 217 | T | 32.3 | Very low | 35.2 | Very low | 119 Ų | 119 | 132.2 Ų | 132.2 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | 103.2 | 118.2 | 158.9 | -41.2 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 218 | A | 32.8 | Very low | 34.8 | Very low | 98 Ų | 98 | 136.5 Ų | 136.5 | 81% | 0.81 | 77% | 0.77 | S | S | * | * | trans | 67.4 | 130.8 | 153.7 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 219 | A | 34.6 | Very low | 34.7 | Very low | 93 Ų | 93 | 133.2 Ų | 133.2 | 77% | 0.769 | 77% | 0.768 | S | S | * | * | trans | -124.3 | -170.6 | 157.6 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 220 | P | 57 | Low | 35 | Very low | 114 Ų | 114 | 127.3 Ų | 127.3 | 74% | 0.74 | 75% | 0.749 | S | S | * | * | cis | -127.1 | -171.9 | -13.5 | 40.4 | -24.2 | 0 | 0 | 0 | 112.1 | ||||
| 221 | I | 35.6 | Very low | 35.4 | Very low | 168 Ų | 168 | 128.9 Ų | 128.9 | 86% | 0.862 | 76% | 0.755 | S | S | * | * | trans | 178.5 | 148.5 | 135.5 | -94.2 | 155.5 | 0 | 0 | 0 | 110.1 | ||||
| 222 | S | 33.9 | Very low | 35.8 | Very low | 92 Ų | 92 | 127.2 Ų | 127.2 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | trans | -84.4 | 163.1 | 179.6 | -46.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 223 | M | 29.9 | Very low | 36.5 | Very low | 165 Ų | 165 | 130 Ų | 130 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | 178.9 | 150 | 110.9 | -89.1 | -46.8 | 169.8 | 0 | 0 | 114.5 | |||||
| 224 | T | 34.5 | Very low | 37.4 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 74% | 0.742 | 77% | 0.772 | S | S | * | * | trans | 2.4 | 139.4 | 157.2 | 59.4 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 225 | S | 30.5 | Very low | 37.5 | Very low | 109 Ų | 109 | 130.1 Ų | 130.1 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | 178.2 | 146.9 | 102.5 | -153.8 | 0 | 0 | 0 | 0 | 115.1 | |||||
| 226 | S | 35.1 | Very low | 37.4 | Very low | 97 Ų | 97 | 131.1 Ų | 131.1 | 68% | 0.678 | 77% | 0.768 | S | S | * | * | trans | 59.4 | 94.5 | 147.2 | -56 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 227 | D | 31.2 | Very low | 37.6 | Very low | 150 Ų | 150 | 130.2 Ų | 130.2 | 80% | 0.802 | 77% | 0.773 | S | S | * | * | -4.7 | 141.3 | 125.6 | -41.2 | -76.5 | 0 | 0 | 0 | 119.2 | |||||
| 228 | Y | 32.8 | Very low | 38 | Very low | 213 Ų | 213 | 132.5 Ų | 132.5 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | 174.4 | 122 | 96.7 | -157.8 | -91.5 | 0 | 0 | 0 | 113.9 | |||||
| 229 | S | 38.5 | Very low | 38.4 | Very low | 118 Ų | 118 | 132.1 Ų | 132.1 | 83% | 0.825 | 77% | 0.77 | S | S | * | * | trans | -175.5 | 111.1 | 153.2 | -84.1 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 230 | A | 37 | Very low | 38.9 | Very low | 64 Ų | 64 | 136.2 Ų | 136.2 | 53% | 0.529 | 77% | 0.773 | S | S | . | * | 92.1 | 89.1 | 68.2 | 0 | 0 | 0 | 0 | 0 | 113 | |||||
| 231 | Y | 42.2 | Very low | 37.8 | Very low | 239 Ų | 239 | 134.3 Ų | 134.3 | 94% | 0.937 | 77% | 0.774 | S | S | * | * | trans | 69.7 | 91.9 | 163.6 | -51.4 | -72.6 | 0 | 0 | 0 | 119.2 | ||||
| 232 | G | 38.7 | Very low | 37.9 | Very low | 75 Ų | 75 | 130.2 Ų | 130.2 | 77% | 0.773 | 77% | 0.774 | S | S | * | * | trans | -164.2 | 100.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 233 | V | 47.5 | Very low | 38.2 | Very low | 149 Ų | 149 | 134.7 Ų | 134.7 | 90% | 0.903 | 78% | 0.784 | S | S | * | * | trans | -87.7 | 158.8 | -179 | -103.4 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 234 | P | 51.3 | Low | 39.2 | Very low | 102 Ų | 102 | 132 Ų | 132 | 66% | 0.662 | 78% | 0.781 | S | S | * | * | -123.2 | -179.8 | -122.7 | 38 | -23 | 0 | 0 | 0 | 113.7 | |||||
| 235 | L | 41.2 | Very low | 39.9 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 73% | 0.733 | 79% | 0.787 | S | S | * | * | 174.9 | 137.3 | 119.5 | -98.7 | 165 | 0 | 0 | 0 | 115.5 | |||||
| 236 | K | 37.8 | Very low | 40.7 | Very low | 179 Ų | 179 | 134.4 Ų | 134.4 | 78% | 0.778 | 79% | 0.787 | S | S | * | * | trans | 43.6 | 92.8 | 156.6 | 36.2 | 174.6 | 172.7 | -171.8 | 0 | 118.9 | ||||
| 237 | S | 34.3 | Very low | 41.4 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 91% | 0.909 | 79% | 0.794 | S | S | * | * | trans | -90.9 | 122.7 | 134.2 | -65.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 238 | L | 42.3 | Very low | 42.3 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 87% | 0.869 | 79% | 0.793 | S | S | * | * | trans | -83.1 | 143.9 | 172 | -156.4 | 72 | 0 | 0 | 0 | 109.6 | ||||
| 239 | C | 41.1 | Very low | 43.4 | Very low | 90 Ų | 90 | 129.9 Ų | 129.9 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | -86.2 | -176.9 | -174.3 | 49.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 240 | H | 43.5 | Very low | 44.4 | Very low | 180 Ų | 180 | 130.4 Ų | 130.4 | 83% | 0.833 | 79% | 0.786 | S | S | * | * | trans | 74.6 | 140.8 | -174.8 | -37.5 | 92.4 | 0 | 0 | 0 | 114.1 | ||||
| 241 | G | 35.2 | Very low | 45 | Very low | 73 Ų | 73 | 133 Ų | 133 | 75% | 0.753 | 80% | 0.797 | S | S | * | * | cis | 174.2 | 135.6 | -5 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 242 | G | 36.5 | Very low | 45.3 | Very low | 83 Ų | 83 | 129.7 Ų | 129.7 | 86% | 0.856 | 79% | 0.794 | S | S | * | * | trans | -76.4 | 132.9 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 243 | Q | 40.8 | Very low | 45.8 | Very low | 186 Ų | 186 | 135.4 Ų | 135.4 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | trans | -139.1 | 134.3 | 155.9 | -84.9 | -73.4 | 9 | 0 | 0 | 106.9 | ||||
| 244 | S | 50.6 | Low | 45.9 | Very low | 107 Ų | 107 | 133.3 Ų | 133.3 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -93.7 | 140.1 | 179.6 | 58.9 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 245 | L | 49.9 | Very low | 45.8 | Very low | 166 Ų | 166 | 134.8 Ų | 134.8 | 87% | 0.869 | 79% | 0.794 | S | S | * | * | trans | -132.5 | 133.2 | 165.2 | -71 | 176.1 | 0 | 0 | 0 | 109.1 | ||||
| 246 | P | 48.1 | Very low | 46.3 | Very low | 116 Ų | 116 | 133.7 Ų | 133.7 | 75% | 0.753 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 147.3 | 179.9 | 31.2 | -34.6 | 0 | 0 | 0 | 111.5 | I248 | P246-I248 PolarHBondContact O-N 3.41Š|
| 247 | A | 48.2 | Very low | 46.6 | Very low | 99 Ų | 99 | 131.3 Ų | 131.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 125.9 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | P249 | A247-P249 WeakPolarHBondContact O-CD 3.44Š|
| 248 | I | 51.7 | Low | 46.8 | Very low | 153 Ų | 153 | 130 Ų | 130 | 79% | 0.785 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 121 | 178.9 | -61.1 | 172.9 | 0 | 0 | 0 | 109.4 | P246 | P246-I248 PolarHBondContact O-N 3.41Š|
| 249 | P | 54.5 | Low | 46.8 | Very low | 112 Ų | 112 | 129.6 Ų | 129.6 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 129.6 | 172 | -14.6 | 30.6 | 0 | 0 | 0 | 110.7 | A247 P251 | A247-P249 WeakPolarHBondContact O-CD 3.44Å; P249-P251 WeakPolarHBondContact O-CD 3.4Å |
| 250 | V | 60.4 | Low | 46.7 | Very low | 130 Ų | 130 | 132.6 Ų | 132.6 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -79.4 | 122.9 | 178.3 | -163.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 251 | P | 48.9 | Very low | 46.3 | Very low | 119 Ų | 119 | 127.3 Ų | 127.3 | 77% | 0.773 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 132.3 | -179.5 | -11.8 | 28.3 | 0 | 0 | 0 | 112.2 | P249 | P249-P251 WeakPolarHBondContact O-CD 3.4Š|
| 252 | I | 49.5 | Very low | 46.6 | Very low | 169 Ų | 169 | 133.8 Ų | 133.8 | 87% | 0.867 | 80% | 0.801 | S | S | * | * | trans | -120.5 | 110.2 | 163 | -47.9 | 179 | 0 | 0 | 0 | 107.4 | ||||
| 253 | K | 47.8 | Very low | 46.5 | Very low | 194 Ų | 194 | 135.5 Ų | 135.5 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -99.7 | 177.6 | 178.6 | -122.2 | -152.7 | 152.8 | -176.5 | 0 | 110.2 | ||||
| 254 | P | 51.4 | Low | 46.2 | Very low | 105 Ų | 105 | 131.5 Ų | 131.5 | 68% | 0.682 | 80% | 0.798 | S | S | * | * | trans | -116.2 | -178 | -136.7 | 32.6 | -11.6 | 0 | 0 | 0 | 114.5 | ||||
| 255 | T | 47.2 | Very low | 45.7 | Very low | 133 Ų | 133 | 134.2 Ų | 134.2 | 82% | 0.816 | 80% | 0.803 | S | S | * | * | trans | -54.4 | 157.4 | 171.5 | -17.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 256 | P | 52.5 | Low | 46.2 | Very low | 118 Ų | 118 | 131.6 Ų | 131.6 | 77% | 0.766 | 80% | 0.796 | S | S | * | * | trans | -122 | 152 | 139.7 | 35.9 | -28.7 | 0 | 0 | 0 | 114.2 | ||||
| 257 | T | 43.7 | Very low | 46.8 | Very low | 128 Ų | 128 | 130.9 Ų | 130.9 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -64.7 | 166.6 | 175.9 | -12.2 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 258 | S | 38.6 | Very low | 46.4 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | -179.5 | 133.6 | 71.3 | -166.2 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 259 | M | 43.4 | Very low | 46.3 | Very low | 156 Ų | 156 | 133.9 Ų | 133.9 | 77% | 0.768 | 79% | 0.788 | S | S | * | * | trans | 41.8 | 117.2 | 143 | -54.8 | -56.5 | 170.2 | 0 | 0 | 124.2 | ||||
| 260 | T | 38.8 | Very low | 46.3 | Very low | 154 Ų | 154 | 134.6 Ų | 134.6 | 95% | 0.945 | 79% | 0.792 | S | S | * | * | trans | 178.7 | 156.4 | 131.9 | 19.8 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 261 | G | 35.4 | Very low | 45.4 | Very low | 69 Ų | 69 | 132.3 Ų | 132.3 | 71% | 0.711 | 79% | 0.788 | S | S | * | * | cis | -176 | 149.8 | -6.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 262 | F | 40.6 | Very low | 44.7 | Very low | 209 Ų | 209 | 135.7 Ų | 135.7 | 92% | 0.917 | 79% | 0.79 | S | S | * | * | trans | -69.2 | 141.8 | -167.7 | -67.4 | -99 | 0 | 0 | 0 | 116.6 | ||||
| 263 | S | 35 | Very low | 44.1 | Very low | 118 Ų | 118 | 134.8 Ų | 134.8 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | 173.8 | 127.1 | 133.3 | -79 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 264 | A | 33.7 | Very low | 43.6 | Very low | 102 Ų | 102 | 130.2 Ų | 130.2 | 84% | 0.843 | 78% | 0.779 | S | S | * | * | 97.1 | 120.9 | 51.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 265 | L | 39.8 | Very low | 42.7 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 86% | 0.864 | 79% | 0.786 | S | S | * | * | trans | -100.9 | -179.7 | 172.6 | -75.4 | 166.5 | 0 | 0 | 0 | 109.1 | ||||
| 266 | P | 61.9 | Low | 42.4 | Very low | 110 Ų | 110 | 131.9 Ų | 131.9 | 71% | 0.714 | 79% | 0.786 | S | S | * | * | cis | -122.5 | -121.7 | -47.2 | 36.5 | -18.2 | 0 | 0 | 0 | 107.3 | ||||
| 267 | P | 59.9 | Low | 42.3 | Very low | 102 Ų | 102 | 131.6 Ų | 131.6 | 66% | 0.662 | 78% | 0.784 | S | S | * | * | -120.9 | 174.3 | -52.1 | 38 | -24.7 | 0 | 0 | 0 | 113.1 | |||||
| 268 | H | 39.5 | Very low | 41.9 | Very low | 182 Ų | 182 | 134.2 Ų | 134.2 | 84% | 0.843 | 79% | 0.788 | S | S | * | * | -161.7 | 161.4 | 127 | -131.1 | -94.1 | 0 | 0 | 0 | 115 | |||||
| 269 | I | 49.2 | Very low | 41.9 | Very low | 132 Ų | 132 | 134.2 Ų | 134.2 | 68% | 0.677 | 79% | 0.787 | S | S | * | * | trans | -109.7 | 165.2 | 170.8 | -25.6 | 177.9 | 0 | 0 | 0 | 108.5 | ||||
| 270 | P | 55.4 | Low | 41.6 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 83% | 0.825 | 79% | 0.793 | S | S | * | * | -134.1 | 156.9 | 107 | 37.8 | -29.9 | 0 | 0 | 0 | 113.8 | |||||
| 271 | A | 40.5 | Very low | 41.8 | Very low | 83 Ų | 83 | 131.7 Ų | 131.7 | 69% | 0.686 | 78% | 0.777 | S | S | * | * | trans | -114.4 | 159.3 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 272 | F | 35.8 | Very low | 42.6 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 83% | 0.833 | 78% | 0.784 | S | S | * | * | trans | -137.9 | 121.4 | 163.8 | -96.4 | -83.2 | 0 | 0 | 0 | 111.8 | ||||
| 273 | L | 35.9 | Very low | 42.4 | Very low | 150 Ų | 150 | 130.5 Ų | 130.5 | 79% | 0.785 | 78% | 0.776 | S | S | * | * | trans | 27.9 | 113 | 149.3 | -53 | 178 | 0 | 0 | 0 | 118.1 | ||||
| 274 | S | 37.4 | Very low | 42.8 | Very low | 98 Ų | 98 | 130.1 Ų | 130.1 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | 69.2 | 102.2 | 72.5 | -175.9 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 275 | N | 33.2 | Very low | 43.6 | Very low | 156 Ų | 156 | 130.5 Ų | 130.5 | 83% | 0.834 | 77% | 0.768 | S | S | * | * | -169.8 | 138.9 | 124.8 | -101.8 | -4.6 | 0 | 0 | 0 | 115.1 | |||||
| 276 | S | 39.8 | Very low | 43.5 | Very low | 116 Ų | 116 | 131.3 Ų | 131.3 | 81% | 0.811 | 77% | 0.767 | S | S | * | * | trans | -174.2 | 156.8 | 162 | -79.4 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 277 | P | 51.5 | Low | 42.2 | Very low | 112 Ų | 112 | 131.3 Ų | 131.3 | 73% | 0.727 | 77% | 0.765 | S | S | * | * | cis | -131.9 | 173.6 | 9.5 | 42.8 | -28.2 | 0 | 0 | 0 | 115 | ||||
| 278 | Q | 34.9 | Very low | 41.1 | Very low | 184 Ų | 184 | 130.7 Ų | 130.7 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | -176.4 | 127.3 | 140.2 | -99.2 | 157.7 | 66.1 | 0 | 0 | 106.3 | ||||
| 279 | S | 37.5 | Very low | 41 | Very low | 103 Ų | 103 | 127.9 Ų | 127.9 | 72% | 0.72 | 77% | 0.765 | S | S | * | * | 66.3 | 96.9 | 59.7 | -179.2 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 280 | L | 38.4 | Very low | 40.4 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 87% | 0.874 | 77% | 0.771 | S | S | * | * | -170.8 | 153.1 | 128.8 | -101.8 | 165.5 | 0 | 0 | 0 | 110.6 | |||||
| 281 | S | 42.1 | Very low | 39.5 | Very low | 90 Ų | 90 | 130.5 Ų | 130.5 | 63% | 0.629 | 78% | 0.776 | S | S | * | * | trans | -92 | 174.5 | 169.6 | 52.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 282 | P | 52.3 | Low | 39.3 | Very low | 129 Ų | 129 | 132.3 Ų | 132.3 | 84% | 0.838 | 78% | 0.783 | S | S | * | * | trans | -125.9 | 151.6 | 131 | 35.9 | -30.7 | 0 | 0 | 0 | 113.3 | ||||
| 283 | T | 36.7 | Very low | 39.8 | Very low | 124 Ų | 124 | 128.8 Ų | 128.8 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -103.5 | 148 | -178 | -47.3 | 0 | 0 | 0 | 0 | 110.6 | ||
| 284 | S | 42.6 | Very low | 40.7 | Very low | 110 Ų | 110 | 127.7 Ų | 127.7 | 77% | 0.769 | 78% | 0.784 | S | S | * | * | P | Polyproline II helix | trans | -74 | 145.4 | 171.7 | -43.3 | 0 | 0 | 0 | 0 | 113.4 | ||
| 285 | P | 51.5 | Low | 40.7 | Very low | 111 Ų | 111 | 127.8 Ų | 127.8 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -102 | 150.4 | 132 | -10.7 | 30.3 | 0 | 0 | 0 | 109.5 | ||
| 286 | Q | 37.9 | Very low | 41.3 | Very low | 181 Ų | 181 | 126.1 Ų | 126.1 | 85% | 0.846 | 79% | 0.786 | S | S | * | * | 62.2 | 139.6 | 54.9 | -68.4 | -151.2 | 75.4 | 0 | 0 | 114.9 | |||||
| 287 | T | 35.1 | Very low | 42 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 68% | 0.675 | 79% | 0.786 | S | S | * | * | cis | -168.7 | 130 | -16.1 | -79.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 288 | A | 35.3 | Very low | 41.5 | Very low | 90 Ų | 90 | 125.8 Ų | 125.8 | 74% | 0.744 | 78% | 0.784 | S | S | * | * | trans | 179.6 | 132.8 | 157 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 289 | T | 37.7 | Very low | 41.8 | Very low | 123 Ų | 123 | 126.4 Ų | 126.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | cis | 82.1 | 87.6 | 39.2 | 68.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 290 | S | 36.5 | Very low | 41.8 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 81% | 0.811 | 79% | 0.787 | S | S | * | * | trans | -174.7 | 107.1 | 146.6 | -76.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 291 | Q | 37.1 | Very low | 41.8 | Very low | 198 Ų | 198 | 126.7 Ų | 126.7 | 93% | 0.925 | 79% | 0.785 | S | S | * | * | 58.1 | 96.3 | 77.6 | -69.4 | -159.8 | 27.6 | 0 | 0 | 115.6 | |||||
| 292 | S | 36.8 | Very low | 41.6 | Very low | 121 Ų | 121 | 128.7 Ų | 128.7 | 85% | 0.846 | 79% | 0.793 | S | S | * | * | -166.5 | 149.3 | 128.1 | 59.5 | 0 | 0 | 0 | 0 | 112 | |||||
| 293 | S | 44.8 | Very low | 41.1 | Very low | 116 Ų | 116 | 127.5 Ų | 127.5 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -159.8 | 179.1 | 173 | -64.3 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 294 | P | 55.2 | Low | 41.9 | Very low | 127 Ų | 127 | 126.9 Ų | 126.9 | 83% | 0.825 | 79% | 0.786 | S | S | * | * | -115 | 172.8 | -65.3 | 37.8 | -27.2 | 0 | 0 | 0 | 110.7 | |||||
| 295 | A | 38.1 | Very low | 41.7 | Very low | 100 Ų | 100 | 127 Ų | 127 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | -142.9 | 114.5 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 296 | T | 45.5 | Very low | 41.2 | Very low | 120 Ų | 120 | 127.6 Ų | 127.6 | 74% | 0.736 | 79% | 0.788 | S | S | * | * | trans | -77 | 163.2 | 156.6 | -16.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 297 | P | 54.9 | Low | 41.7 | Very low | 124 Ų | 124 | 126.8 Ų | 126.8 | 81% | 0.805 | 79% | 0.789 | S | S | * | * | -138.1 | 158.3 | 97.1 | 37.6 | -26.7 | 0 | 0 | 0 | 114.2 | |||||
| 298 | S | 41.7 | Very low | 42 | Very low | 98 Ų | 98 | 130.9 Ų | 130.9 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | trans | -95.3 | 147.8 | 161.7 | -49.6 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 299 | E | 39.4 | Very low | 42.5 | Very low | 197 Ų | 197 | 132.2 Ų | 132.2 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | trans | -126.2 | 154.8 | 153.3 | -75.5 | -153.3 | 123.2 | 0 | 0 | 110.8 | ||||
| 300 | T | 39.5 | Very low | 43.2 | Very low | 118 Ų | 118 | 133.1 Ų | 133.1 | 72% | 0.724 | 81% | 0.81 | S | S | * | * | trans | -141.3 | 163.2 | -173.7 | -53.9 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 301 | L | 36.9 | Very low | 44 | Very low | 158 Ų | 158 | 132.2 Ų | 132.2 | 83% | 0.827 | 81% | 0.809 | S | S | * | * | trans | 81.6 | 148.2 | -175.5 | -46.3 | 159.3 | 0 | 0 | 0 | 111.9 | ||||
| 302 | T | 38.8 | Very low | 44.6 | Very low | 132 Ų | 132 | 129.4 Ų | 129.4 | 81% | 0.81 | 81% | 0.805 | S | S | * | * | cis | -145.1 | 163.5 | 4.4 | -22.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 303 | S | 40.6 | Very low | 45 | Very low | 103 Ų | 103 | 135.6 Ų | 135.6 | 72% | 0.72 | 82% | 0.82 | S | S | * | * | trans | -103.2 | -174.7 | 168.1 | 64.9 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 304 | P | 55 | Low | 45 | Very low | 111 Ų | 111 | 136.6 Ų | 136.6 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | cis | -130.2 | -154.2 | -10 | 40.5 | -22 | 0 | 0 | 0 | 112.8 | ||||
| 305 | S | 37 | Very low | 44.5 | Very low | 113 Ų | 113 | 137.1 Ų | 137.1 | 79% | 0.79 | 82% | 0.82 | S | S | * | * | trans | 95.3 | 137.9 | -179.7 | -42.5 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 306 | T | 42.6 | Very low | 44.9 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 76% | 0.755 | 82% | 0.82 | S | S | * | * | cis | -150.4 | 138.8 | 43.3 | -67.4 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 307 | L | 47.4 | Very low | 44.8 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 86% | 0.859 | 83% | 0.825 | S | S | * | * | trans | 34.7 | 133.5 | 157.2 | -60.8 | 169.9 | 0 | 0 | 0 | 122.4 | ||||
| 308 | Q | 42.2 | Very low | 44.2 | Very low | 197 Ų | 197 | 141.3 Ų | 141.3 | 92% | 0.921 | 83% | 0.826 | S | S | * | * | trans | -70.7 | 150.5 | 161.5 | -64.5 | 161.7 | -94.6 | 0 | 0 | 111.7 | ||||
| 309 | S | 45.2 | Very low | 44.4 | Very low | 118 Ų | 118 | 144.1 Ų | 144.1 | 83% | 0.825 | 84% | 0.835 | S | S | * | * | trans | -149.1 | 97.1 | 160.8 | -172.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 310 | V | 52.2 | Low | 44.7 | Very low | 142 Ų | 142 | 140.4 Ų | 140.4 | 86% | 0.861 | 83% | 0.829 | S | S | * | * | trans | -143.3 | 124.3 | 160 | -179.7 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 311 | A | 52.9 | Low | 45.1 | Very low | 96 Ų | 96 | 142.1 Ų | 142.1 | 79% | 0.793 | 84% | 0.837 | S | S | * | * | trans | -103.1 | 141.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 312 | V | 49.9 | Very low | 45.8 | Very low | 140 Ų | 140 | 140.8 Ų | 140.8 | 85% | 0.848 | 84% | 0.838 | S | S | * | * | trans | -143.1 | 105.1 | 159.9 | -178.4 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 313 | H | 45.9 | Very low | 46.5 | Very low | 250 Ų | 250 | 141.5 Ų | 141.5 | 100% | 1.157 | 84% | 0.841 | S | S | * | * | trans | -155.3 | 0 | 131.2 | -143.3 | -48.1 | 0 | 0 | 0 | 110.8 |
Retrieved 313 of 313 residues in 79.3 ms
(Link to these results)