| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 54.6 | Low | 61.4 | Low | 230 Ų | 230 | 127.7 Ų | 127.7 | 100% | 1.133 | 67% | 0.666 | S | S | * | * | 0 | 124.7 | 0 | -67.1 | 168.5 | 79.9 | 0 | 0 | 108.2 | R3 | M1-R3 PolarHBondContact O-N 3.48Š| |||
| 2 | P | 65.8 | Low | 63.5 | Low | 130 Ų | 130 | 127.2 Ų | 127.2 | 84% | 0.844 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63 | 134.2 | 175.8 | -13.7 | 27.8 | 0 | 0 | 0 | 109.5 | ||
| 3 | R | 58.2 | Low | 65.7 | Low | 232 Ų | 232 | 126.7 Ų | 126.7 | 88% | 0.875 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 131.2 | 172.7 | -79 | -173.2 | -178.2 | -162.9 | 1.7 | 108.8 | M1 G5 | M1-R3 PolarHBondContact O-N 3.48Å; R3-G5 PolarHBondContact O-N 3.29Å |
| 4 | P | 62.8 | Low | 67.5 | Low | 72 Ų | 72 | 118.9 Ų | 118.9 | 47% | 0.468 | 61% | 0.609 | S | S | . | * | P | Polyproline II helix | trans | -53.2 | 137.1 | 172.9 | -24.4 | 33.3 | 0 | 0 | 0 | 110.8 | Y9 | P4-Y9 HydrophobicContact CB-CE2 4.09Š|
| 5 | G | 58.1 | Low | 69.1 | Low | 53 Ų | 53 | 117.4 Ų | 117.4 | 55% | 0.546 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -56.7 | 148.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R3 N7 S8 | R3-G5 PolarHBondContact O-N 3.29Å; G5-N7 PolarHBondContact O-N 2.93Å; G5-S8 PolarHBondContact O-N 3.24Å |
| 6 | K | 57.1 | Low | 70.6 | Confident | 195 Ų | 195 | 114.7 Ų | 114.7 | 85% | 0.848 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.9 | -20.7 | -173.5 | -71.6 | 172.9 | 175.6 | 176.9 | 0 | 114.8 | ||
| 7 | N | 55.2 | Low | 72 | Confident | 138 Ų | 138 | 110 Ų | 110 | 74% | 0.738 | 57% | 0.57 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | -14.1 | 178.9 | -62.3 | 4.4 | 0 | 0 | 0 | 114.1 | G5 S10 | G5-N7 PolarHBondContact O-N 2.93Å; N7-S10 PolarHBondContact O-OG 3.16Å; N7-S10 VanDerWaalsContact O-OG 3.08Å |
| 8 | S | 58 | Low | 73.3 | Confident | 56 Ų | 56 | 106.7 Ų | 106.7 | 39% | 0.392 | 55% | 0.549 | S | S | . | . | S | Bend | trans | -80.5 | -22.9 | 179.1 | -178.6 | 0 | 0 | 0 | 0 | 112.8 | G5 | G5-S8 PolarHBondContact O-N 3.24Š|
| 9 | Y | 59.5 | Low | 74.4 | Confident | 145 Ų | 145 | 102.7 Ų | 102.7 | 57% | 0.569 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -76.9 | -24 | -176.8 | -76.3 | -84.2 | 0 | 0 | 0 | 113.6 | P4 D11 Q12 | P4-Y9 HydrophobicContact CB-CE2 4.09Å; Y9-D11 VanDerWaalsContact C-N 3.27Å; Y9-D11 PolarHBondContact O-N 2.81Å; Y9-Q12 PolarHBondContact O-N 3.4Å |
| 10 | S | 66.5 | Low | 75.4 | Confident | 54 Ų | 54 | 97.8 Ų | 97.8 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -25.5 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 113.4 | N7 Y49 | N7-S10 PolarHBondContact O-OG 3.16Å; N7-S10 VanDerWaalsContact O-OG 3.08Å; S10-Y49 PolarHBondContact O-N 2.95Å |
| 11 | D | 79.3 | Confident | 76.4 | Confident | 100 Ų | 100 | 93.2 Ų | 93.2 | 54% | 0.535 | 48% | 0.48 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | 1.2 | -177.5 | -55.4 | -20.7 | 0 | 0 | 0 | 111.7 | Y9 Y49 | Y9-D11 VanDerWaalsContact C-N 3.27Å; Y9-D11 PolarHBondContact O-N 2.81Å; D11-Y49 WeakPolarHBondContact O-CD2 3.38Å |
| 12 | Q | 87.5 | Confident | 78.4 | Confident | 121 Ų | 121 | 82.2 Ų | 82.2 | 57% | 0.565 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -80.8 | 140.2 | 172 | -68.9 | -61.9 | -26.3 | 0 | 0 | 110.2 | Y9 P14 | Y9-Q12 PolarHBondContact O-N 3.4Å; Q12-P14 VanDerWaalsContact O-CD 3.25Å; Q12-P14 WeakPolarHBondContact O-CD 2.86Å; Q12-P14 VanDerWaalsContact O-N 3.15Å |
| 13 | K | 90.9 | Very high | 79.8 | Confident | 121 Ų | 121 | 76 Ų | 76 | 53% | 0.526 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -58 | 119.8 | 176.7 | -177.1 | 173.8 | 177.1 | -177.9 | 0 | 109.9 | Y49 | K13-Y49 HydrophobicContact CB-CD1 4.15Å; K13-Y49 HydrophobicContact CB-CD2 4.38Å; K13-Y49 HydrophobicContact CB-CE1 3.71Å; K13-Y49 HydrophobicContact CB-CE2 3.95Å; K13-Y49 HydrophobicContact CB-CG 4.46Å; K13-Y49 HydrophobicContact CD-CE1 4.08Å; K13-Y49 HydrophobicContact CG-CD1 4.14Å; K13-Y49 HydrophobicContact CG-CE1 3.57Å |
| 14 | P | 91.7 | Very high | 81.6 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 11% | 0.11 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 147.5 | 179 | -24.4 | 33.9 | 0 | 0 | 0 | 111.7 | Q12 Y16 F47 Y50 | Q12-P14 VanDerWaalsContact O-CD 3.25Å; Q12-P14 WeakPolarHBondContact O-CD 2.86Å; Q12-P14 VanDerWaalsContact O-N 3.15Å; P14-Y16 HydrophobicContact CB-CD2 3.67Å; P14-Y16 HydrophobicContact CB-CE2 4.29Å; P14-Y16 PolarHBondContact O-N 3.49Å; P14-F47 HydrophobicContact CB-CD1 3.91Å; P14-F47 HydrophobicContact CB-CE1 4.08Å; P14-F47 HydrophobicContact CB-CG 4.49Å; P14-F47 HydrophobicContact CG-CB 3.91Å; P14-F47 HydrophobicContact CG-CD1 3.43Å; P14-F47 VanDerWaalsContact CG-CD1 3.43Å; P14-F47 HydrophobicContact CG-CE1 4.12Å; P14-F47 HydrophobicContact CG-CG 3.78Å; P14-Y50 HydrophobicContact CG-CE2 4.04Å |
| 15 | P | 90.8 | Very high | 83.2 | Confident | 97 Ų | 97 | 62.4 Ų | 62.4 | 63% | 0.63 | 33% | 0.326 | S | S | * | . | S | Bend | trans | -76.6 | 38 | 179.5 | 34.2 | -37.3 | 0 | 0 | 0 | 112.8 | ||
| 16 | Y | 92.9 | Very high | 85 | Confident | 74 Ų | 74 | 60 Ų | 60 | 29% | 0.29 | 30% | 0.301 | S | S | . | . | trans | -115.3 | 139 | -178.6 | -59.9 | -59.1 | 0 | 0 | 0 | 110.8 | P14 L21 M24 F47 F102 | P14-Y16 HydrophobicContact CB-CD2 3.67Å; P14-Y16 HydrophobicContact CB-CE2 4.29Å; P14-Y16 PolarHBondContact O-N 3.49Å; Y16-L21 HydrophobicContact CD2-CD2 4.39Å; Y16-L21 HydrophobicContact CG-CD2 4.49Å; Y16-M24 HydrophobicContact CD1-CE 4.2Å; Y16-M24 HydrophobicContact CD2-CE 4Å; Y16-M24 HydrophobicContact CE2-CE 4.41Å; Y16-M24 HydrophobicContact CG-CE 3.9Å; Y16-F47 AromaticContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE2 4.45Å; Y16-F47 AromaticContact CD2-CZ 3.65Å; Y16-F47 HydrophobicContact CD2-CZ 3.65Å; Y16-F47 AromaticContact CE2-CE1 3.73Å; Y16-F47 HydrophobicContact CE2-CE1 3.73Å; Y16-F47 AromaticContact CE2-CZ 3.66Å; Y16-F47 HydrophobicContact CE2-CZ 3.66Å; Y16-F102 HydrophobicContact CD1-CB 3.86Å; Y16-F102 HydrophobicContact CE1-CB 3.77Å | ||
| 17 | S | 94.5 | Very high | 86.7 | Confident | 35 Ų | 35 | 53 Ų | 53 | 25% | 0.245 | 27% | 0.271 | C | S | . | . | trans | -76.2 | 160.2 | 170.8 | 75.9 | 0 | 0 | 0 | 0 | 110.5 | I19 S20 L21 | S17-I19 PolarHBondContact O-N 3.45Å; S17-I19 PolarHBondContact OG-N 3.29Å; S17-S20 WeakPolarHBondContact O-CA 3.37Å; S17-S20 WeakPolarHBondContact O-CB 3.3Å; S17-S20 PolarHBondContact O-N 3.3Å; S17-S20 PolarHBondContact OG-N 3.08Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.09Å; S17-L21 WeakPolarHBondContact O-CG 3.09Å; S17-L21 PolarHBondContact O-N 3.06Å | ||
| 18 | Y | 96.3 | Very high | 88.6 | Confident | 50 Ų | 50 | 51.3 Ų | 51.3 | 20% | 0.196 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.3 | -30.7 | 173.5 | -64.5 | -58.5 | 0 | 0 | 0 | 112.7 | L21 T22 Y50 W57 | Y18-L21 HydrophobicContact CD1-CD1 4.02Å; Y18-T22 WeakPolarHBondContact O-CB 3.37Å; Y18-T22 PolarHBondContact O-N 2.64Å; Y18-T22 PolarHBondContact O-OG1 3.49Å; Y18-Y50 HydrophobicContact CE1-CE1 4.06Å; Y18-W57 HydrophobicContact CE1-CB 4.13Å; Y18-W57 WeakPolarHBondContact OH-CB 3.33Å |
| 19 | I | 94.7 | Very high | 90.4 | Very high | 32 Ų | 32 | 49.4 Ų | 49.4 | 16% | 0.164 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -50.4 | 172.6 | -57.3 | 172.9 | 0 | 0 | 0 | 109.4 | S17 L21 T22 A23 N68 F71 F97 | S17-I19 PolarHBondContact O-N 3.45Å; S17-I19 PolarHBondContact OG-N 3.29Å; I19-L21 PolarHBondContact O-N 3.23Å; I19-T22 PolarHBondContact O-N 3.14Å; I19-A23 WeakPolarHBondContact O-CB 3.29Å; I19-A23 PolarHBondContact O-N 2.83Å; I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; I19-F71 HydrophobicContact CB-CE2 4.35Å; I19-F71 HydrophobicContact CB-CZ 4.36Å; I19-F71 HydrophobicContact CG1-CE2 4.33Å; I19-F71 HydrophobicContact CG2-CE2 4.03Å; I19-F71 HydrophobicContact CG2-CZ 3.85Å; I19-F97 HydrophobicContact CG2-CZ 3.85Å |
| 20 | S | 94.5 | Very high | 92.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 3% | 0.028 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -43.7 | 178.5 | -46.6 | 0 | 0 | 0 | 0 | 112.3 | S17 T22 A23 M24 F102 | S17-S20 WeakPolarHBondContact O-CA 3.37Å; S17-S20 WeakPolarHBondContact O-CB 3.3Å; S17-S20 PolarHBondContact O-N 3.3Å; S17-S20 PolarHBondContact OG-N 3.08Å; S17-S20 VanDerWaalsContact OG-N 3.1Å; S17-S20 PolarHBondContact OG-OG 3.09Å; S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 3.37Å; S20-A23 PolarHBondContact O-N 3.39Å; S20-M24 WeakPolarHBondContact O-CG 3.27Å; S20-M24 PolarHBondContact O-N 2.97Å; S20-F102 WeakPolarHBondContact CB-O 3.46Å; S20-F102 PolarHBondContact OG-O 3.12Å |
| 21 | L | 96 | Very high | 93.4 | Very high | 1 Ų | 1 | 52.6 Ų | 52.6 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.7 | -44.8 | 177.9 | -70 | 172.2 | 0 | 0 | 0 | 111.7 | Y16 S17 Y18 I19 M24 A25 I43 F47 Y50 | Y16-L21 HydrophobicContact CD2-CD2 4.39Å; Y16-L21 HydrophobicContact CG-CD2 4.49Å; S17-L21 WeakPolarHBondContact O-CG 3.09Å; S17-L21 PolarHBondContact O-N 3.06Å; Y18-L21 HydrophobicContact CD1-CD1 4.02Å; I19-L21 PolarHBondContact O-N 3.23Å; L21-M24 HydrophobicContact CD2-CE 3.78Å; L21-M24 HydrophobicContact CG-CE 4.5Å; L21-M24 PolarHBondContact O-N 3.44Å; L21-A25 PolarHBondContact O-N 3Å; L21-A25 VanDerWaalsContact O-N 3.13Å; L21-I43 HydrophobicContact CB-CD1 3.86Å; L21-I43 HydrophobicContact CB-CG1 4.18Å; L21-I43 HydrophobicContact CD1-CG2 4.45Å; L21-F47 HydrophobicContact CD2-CD2 3.64Å; L21-F47 HydrophobicContact CD2-CE2 3.35Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; L21-Y50 HydrophobicContact CD1-CE2 3.8Å |
| 22 | T | 96.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67 | -43.3 | 178.7 | -54.6 | 0 | 0 | 0 | 0 | 111.1 | Y18 I19 S20 M24 A25 I26 I39 L65 F71 | Y18-T22 WeakPolarHBondContact O-CB 3.37Å; Y18-T22 PolarHBondContact O-N 2.64Å; Y18-T22 PolarHBondContact O-OG1 3.49Å; I19-T22 PolarHBondContact O-N 3.14Å; S20-T22 VanDerWaalsContact C-N 3.35Å; S20-T22 PolarHBondContact O-N 3.37Å; T22-M24 PolarHBondContact O-N 2.87Å; T22-A25 WeakPolarHBondContact O-CB 3.47Å; T22-A25 PolarHBondContact O-N 3.33Å; T22-I26 HydrophobicContact CG2-CD1 3.89Å; T22-I26 WeakPolarHBondContact O-CG1 3.27Å; T22-I26 PolarHBondContact O-N 3.41Å; T22-I39 HydrophobicContact CG2-CD1 4.19Å; T22-I39 HydrophobicContact CG2-CG2 4.37Å; T22-L65 HydrophobicContact CG2-CD2 3.66Å; T22-F71 HydrophobicContact CG2-CD1 3.85Å; T22-F71 HydrophobicContact CG2-CE1 3.33Å; T22-F71 HydrophobicContact CG2-CE2 4.3Å; T22-F71 HydrophobicContact CG2-CZ 3.6Å |
| 23 | A | 95.1 | Very high | 94.6 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.1 | -45.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I19 S20 A25 I26 Q27 L89 F97 | I19-A23 WeakPolarHBondContact O-CB 3.29Å; I19-A23 PolarHBondContact O-N 2.83Å; S20-A23 PolarHBondContact O-N 3.39Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.29Å; A23-I26 PolarHBondContact O-N 3.13Å; A23-Q27 WeakPolarHBondContact O-CB 3.44Å; A23-Q27 VanDerWaalsContact O-CG 3.29Å; A23-Q27 WeakPolarHBondContact O-CG 3.24Å; A23-Q27 PolarHBondContact O-N 2.91Å; A23-L89 HydrophobicContact CB-CD1 4.21Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 3.99Å; A23-F97 HydrophobicContact CB-CE1 3.91Å; A23-F97 HydrophobicContact CB-CE2 4.08Å; A23-F97 HydrophobicContact CB-CG 3.86Å; A23-F97 HydrophobicContact CB-CZ 4.04Å |
| 24 | M | 95.5 | Very high | 94.9 | Very high | 17 Ų | 17 | 46 Ų | 46 | 8% | 0.084 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -58.9 | -42.8 | 175.3 | -74.9 | -173.8 | -69.3 | 0 | 0 | 112.2 | Y16 S20 L21 T22 N28 F42 F47 F102 | Y16-M24 HydrophobicContact CD1-CE 4.2Å; Y16-M24 HydrophobicContact CD2-CE 4Å; Y16-M24 HydrophobicContact CE2-CE 4.41Å; Y16-M24 HydrophobicContact CG-CE 3.9Å; S20-M24 WeakPolarHBondContact O-CG 3.27Å; S20-M24 PolarHBondContact O-N 2.97Å; L21-M24 HydrophobicContact CD2-CE 3.78Å; L21-M24 HydrophobicContact CG-CE 4.5Å; L21-M24 PolarHBondContact O-N 3.44Å; T22-M24 PolarHBondContact O-N 2.87Å; M24-N28 VanDerWaalsContact O-CB 3.3Å; M24-N28 WeakPolarHBondContact O-CB 3.08Å; M24-N28 PolarHBondContact O-N 3.12Å; M24-N28 VanDerWaalsContact O-N 3.07Å; M24-F42 HydrophobicContact CB-CE1 4.03Å; M24-F42 HydrophobicContact CB-CZ 4.34Å; M24-F47 HydrophobicContact CE-CE2 4.01Å; M24-F47 HydrophobicContact CE-CZ 4.01Å; M24-F102 HydrophobicContact CG-CD1 3.44Å; M24-F102 VanDerWaalsContact CG-CD1 3.44Å; M24-F102 HydrophobicContact CG-CD2 4.23Å; M24-F102 HydrophobicContact CG-CE1 3.43Å; M24-F102 VanDerWaalsContact CG-CE1 3.43Å; M24-F102 HydrophobicContact CG-CE2 4.22Å; M24-F102 HydrophobicContact CG-CG 3.86Å; M24-F102 HydrophobicContact CG-CZ 3.85Å; M24-F102 HydrophobicContact SD-CB 4.4Å; M24-F102 HydrophobicContact SD-CD1 4.19Å; M24-F102 HydrophobicContact SD-CD2 4.22Å; M24-F102 HydrophobicContact SD-CG 4Å |
| 25 | A | 96.8 | Very high | 95.1 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -50.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | L21 T22 A23 Q27 N28 S29 L34 I39 F42 | L21-A25 PolarHBondContact O-N 3Å; L21-A25 VanDerWaalsContact O-N 3.13Å; T22-A25 WeakPolarHBondContact O-CB 3.47Å; T22-A25 PolarHBondContact O-N 3.33Å; A23-A25 VanDerWaalsContact C-N 3.33Å; A23-A25 PolarHBondContact O-N 3.29Å; A25-Q27 PolarHBondContact O-N 3Å; A25-N28 PolarHBondContact O-N 3.07Å; A25-S29 PolarHBondContact O-N 3.26Å; A25-L34 HydrophobicContact CB-CD1 4.1Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.34Å; A25-I39 HydrophobicContact CB-CG2 4.32Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.4Å; A25-F42 HydrophobicContact CB-CE1 3.92Å; A25-F42 HydrophobicContact CB-CG 3.73Å |
| 26 | I | 95.8 | Very high | 95.5 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 1% | 0.01 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.5 | -43.8 | -178.9 | -67.8 | 172.1 | 0 | 0 | 0 | 110.8 | T22 A23 N28 S29 K32 F71 L89 | T22-I26 HydrophobicContact CG2-CD1 3.89Å; T22-I26 WeakPolarHBondContact O-CG1 3.27Å; T22-I26 PolarHBondContact O-N 3.41Å; A23-I26 PolarHBondContact O-N 3.13Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.23Å; I26-S29 WeakPolarHBondContact O-CB 3.35Å; I26-S29 PolarHBondContact O-N 3.05Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.48Å; I26-K32 WeakPolarHBondContact CG2-O 3.45Å; I26-F71 HydrophobicContact CD1-CD1 4.07Å; I26-F71 HydrophobicContact CD1-CE1 4.2Å; I26-L89 HydrophobicContact CB-CG 4.44Å; I26-L89 HydrophobicContact CD1-CG 4.34Å; I26-L89 HydrophobicContact CG2-CD1 4.36Å; I26-L89 HydrophobicContact CG2-CG 4.1Å |
| 27 | Q | 93.4 | Very high | 95.7 | Very high | 48 Ų | 48 | 42.5 Ų | 42.5 | 22% | 0.224 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.3 | -32 | 179.1 | -74.9 | 179.3 | -36 | 0 | 0 | 113.1 | A23 A25 S29 K32 L89 F97 F102 | A23-Q27 WeakPolarHBondContact O-CB 3.44Å; A23-Q27 VanDerWaalsContact O-CG 3.29Å; A23-Q27 WeakPolarHBondContact O-CG 3.24Å; A23-Q27 PolarHBondContact O-N 2.91Å; A25-Q27 PolarHBondContact O-N 3Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 3.4Å; Q27-K32 PolarHBondContact O-NZ 2.91Å; Q27-L89 HydrophobicContact CG-CD1 3.94Å; Q27-F97 VanDerWaalsContact NE2-CB 3.27Å; Q27-F102 VanDerWaalsContact OE1-CE1 3.26Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å |
| 28 | N | 94.3 | Very high | 95.8 | Very high | 103 Ų | 103 | 43.4 Ų | 43.4 | 55% | 0.551 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -75.1 | -14.7 | 176.6 | -168.2 | 81.5 | 0 | 0 | 0 | 113.1 | M24 A25 I26 F42 | M24-N28 VanDerWaalsContact O-CB 3.3Å; M24-N28 WeakPolarHBondContact O-CB 3.08Å; M24-N28 PolarHBondContact O-N 3.12Å; M24-N28 VanDerWaalsContact O-N 3.07Å; A25-N28 PolarHBondContact O-N 3.07Å; I26-N28 VanDerWaalsContact C-N 3.29Å; I26-N28 PolarHBondContact O-N 3.23Å; N28-F42 HydrophobicContact CB-CE2 3.71Å; N28-F42 HydrophobicContact CB-CZ 4.13Å |
| 29 | S | 95.2 | Very high | 95.9 | Very high | 17 Ų | 17 | 41 Ų | 41 | 12% | 0.119 | 22% | 0.218 | C | C | . | . | S | Bend | trans | -77.7 | 146.8 | 171.7 | 75.2 | 0 | 0 | 0 | 0 | 111.3 | A25 I26 Q27 K32 M33 | A25-S29 PolarHBondContact O-N 3.26Å; I26-S29 WeakPolarHBondContact O-CB 3.35Å; I26-S29 PolarHBondContact O-N 3.05Å; I26-S29 VanDerWaalsContact O-N 3.14Å; I26-S29 PolarHBondContact O-OG 3.48Å; Q27-S29 VanDerWaalsContact C-N 3.27Å; Q27-S29 PolarHBondContact O-N 3.4Å; S29-K32 WeakPolarHBondContact OG-CA 3.38Å; S29-K32 PolarHBondContact OG-N 3.46Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; S29-M33 PolarHBondContact OG-N 3.34Å; S29-M33 PolarHBondContact OG-O 3.23Å |
| 30 | T | 95.4 | Very high | 96.1 | Very high | 137 Ų | 137 | 40.7 Ų | 40.7 | 84% | 0.84 | 22% | 0.215 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -39.6 | 176.2 | 46.1 | 0 | 0 | 0 | 0 | 111.7 | K32 | T30-K32 VanDerWaalsContact C-N 3.28Å; T30-K32 PolarHBondContact O-N 3.46Å |
| 31 | E | 94.5 | Very high | 96.2 | Very high | 129 Ų | 129 | 45.7 Ų | 45.7 | 60% | 0.603 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -1.2 | -177.1 | -60 | -176.3 | 171.8 | 0 | 0 | 113.8 | M33 | E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 3.42Å |
| 32 | K | 95.1 | Very high | 96.3 | Very high | 122 Ų | 122 | 46.9 Ų | 46.9 | 53% | 0.53 | 24% | 0.241 | S | C | . | . | S | Bend | trans | 52.8 | 27.4 | -174.9 | -54 | -61.3 | 175.9 | -177.9 | 0 | 113.3 | I26 Q27 S29 T30 | I26-K32 WeakPolarHBondContact CG2-O 3.45Å; Q27-K32 PolarHBondContact O-NZ 2.91Å; S29-K32 WeakPolarHBondContact OG-CA 3.38Å; S29-K32 PolarHBondContact OG-N 3.46Å; S29-K32 VanDerWaalsContact OG-N 3.16Å; T30-K32 VanDerWaalsContact C-N 3.28Å; T30-K32 PolarHBondContact O-N 3.46Å |
| 33 | M | 95.8 | Very high | 96.3 | Very high | 54 Ų | 54 | 46.9 Ų | 46.9 | 27% | 0.266 | 24% | 0.241 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -151 | 147 | 173.6 | 68.6 | -177.7 | 78.9 | 0 | 0 | 110 | S29 E31 I74 F86 W87 A88 | S29-M33 PolarHBondContact OG-N 3.34Å; S29-M33 PolarHBondContact OG-O 3.23Å; E31-M33 HydrophobicContact CB-CG 4.03Å; E31-M33 PolarHBondContact O-N 3.42Å; M33-I74 HydrophobicContact CE-CD1 4.03Å; M33-I74 HydrophobicContact SD-CD1 4.12Å; M33-F86 HydrophobicContact CB-CB 4.41Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.2Å; M33-F86 HydrophobicContact CG-CG 4.42Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.44Å; M33-F86 HydrophobicContact SD-CG 4.15Å; M33-W87 CarbonylContact C-O 3.6Å; M33-W87 VanDerWaalsContact CA-O 3.27Å; M33-W87 WeakPolarHBondContact CA-O 3.4Å; M33-A88 HydrophobicContact CB-CB 3.95Å |
| 34 | L | 97.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 49 Ų | 49 | 15% | 0.147 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 147.6 | 178.9 | -74.6 | 176.2 | 0 | 0 | 0 | 111.4 | A25 D38 I39 W87 | A25-L34 HydrophobicContact CB-CD1 4.1Å; A25-L34 VanDerWaalsContact O-CD1 3.24Å; A25-L34 WeakPolarHBondContact O-CD1 3.34Å; L34-D38 HydrophobicContact CD2-CB 4.22Å; L34-I39 HydrophobicContact CB-CG1 3.97Å; L34-I39 HydrophobicContact CD1-CG1 4.47Å; L34-W87 PolarHBondContact N-O 3.07Å; L34-W87 PolarHBondContact O-N 3.11Å |
| 35 | P | 97.3 | Very high | 96.4 | Very high | 10 Ų | 10 | 53.6 Ų | 53.6 | 7% | 0.065 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72 | 157.1 | 166.7 | 33.5 | -35 | 0 | 0 | 0 | 110.5 | S37 D38 I39 F86 | P35-S37 PolarHBondContact O-N 2.85Å; P35-S37 VanDerWaalsContact O-N 3.12Å; P35-D38 WeakPolarHBondContact CD-OD2 3.48Å; P35-D38 HydrophobicContact CG-CB 4.08Å; P35-D38 WeakPolarHBondContact CG-OD2 3.4Å; P35-D38 PolarHBondContact O-N 2.86Å; P35-I39 PolarHBondContact O-N 3.18Å; P35-F86 HydrophobicContact CB-CD1 4.48Å |
| 36 | L | 97.4 | Very high | 96.3 | Very high | 45 Ų | 45 | 60 Ų | 60 | 24% | 0.236 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -53.3 | -36.9 | -179.5 | -179.9 | 59.4 | 0 | 0 | 0 | 113.6 | D38 I39 Y40 L61 R62 L65 | L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.45Å; L36-I39 PolarHBondContact O-N 3.07Å; L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.52Å; L36-Y40 HydrophobicContact CD1-CE2 4.18Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.45Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.4Å; L36-Y40 HydrophobicContact CD2-CE2 4.29Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.36Å; L36-Y40 HydrophobicContact CG-CE1 4.04Å; L36-Y40 HydrophobicContact CG-CE2 3.74Å; L36-Y40 VanDerWaalsContact CG-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CG-OH 3.38Å; L36-Y40 WeakPolarHBondContact O-CD2 3.36Å; L36-Y40 PolarHBondContact O-N 3.08Å; L36-L61 HydrophobicContact CD1-CD2 3.84Å; L36-R62 HydrophobicContact CD1-CG 4.31Å; L36-R62 HydrophobicContact CD2-CG 3.9Å; L36-L65 HydrophobicContact CD1-CD1 3.52Å |
| 37 | S | 97.5 | Very high | 96.3 | Very high | 59 Ų | 59 | 61.3 Ų | 61.3 | 41% | 0.413 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -59.7 | -39.2 | 178.1 | 50.1 | 0 | 0 | 0 | 0 | 112.8 | P35 Y40 K41 | P35-S37 PolarHBondContact O-N 2.85Å; P35-S37 VanDerWaalsContact O-N 3.12Å; S37-Y40 PolarHBondContact O-N 3.47Å; S37-K41 WeakPolarHBondContact O-CG 3.49Å; S37-K41 PolarHBondContact O-N 3.35Å |
| 38 | D | 97.8 | Very high | 96.3 | Very high | 53 Ų | 53 | 60.9 Ų | 60.9 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -84.4 | -27.1 | -174 | -62.2 | -20.2 | 0 | 0 | 0 | 111.4 | L34 P35 L36 Y40 K41 F42 | L34-D38 HydrophobicContact CD2-CB 4.22Å; P35-D38 WeakPolarHBondContact CD-OD2 3.48Å; P35-D38 HydrophobicContact CG-CB 4.08Å; P35-D38 WeakPolarHBondContact CG-OD2 3.4Å; P35-D38 PolarHBondContact O-N 2.86Å; L36-D38 VanDerWaalsContact C-N 3.29Å; L36-D38 PolarHBondContact O-N 3.45Å; D38-Y40 VanDerWaalsContact C-N 3.29Å; D38-Y40 PolarHBondContact O-N 2.9Å; D38-K41 PolarHBondContact O-N 2.89Å; D38-K41 IonicContact OD1-NZ 2.91Å; D38-K41 PolarHBondContact OD1-NZ 3Å; D38-F42 WeakPolarHBondContact O-CB 3.37Å; D38-F42 PolarHBondContact O-N 2.96Å |
| 39 | I | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 167 | -59 | 168.3 | 0 | 0 | 0 | 110 | T22 A25 L34 P35 L36 I43 L61 W87 | T22-I39 HydrophobicContact CG2-CD1 4.19Å; T22-I39 HydrophobicContact CG2-CG2 4.37Å; A25-I39 HydrophobicContact CB-CG2 4.32Å; L34-I39 HydrophobicContact CB-CG1 3.97Å; L34-I39 HydrophobicContact CD1-CG1 4.47Å; P35-I39 PolarHBondContact O-N 3.18Å; L36-I39 PolarHBondContact O-N 3.07Å; I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.34Å; I39-I43 PolarHBondContact O-N 2.91Å; I39-L61 HydrophobicContact CG2-CD1 4.11Å; I39-L61 HydrophobicContact CG2-CD2 4.14Å; I39-W87 HydrophobicContact CD1-CB 4.2Å |
| 40 | Y | 97.9 | Very high | 96.3 | Very high | 26 Ų | 26 | 59.7 Ų | 59.7 | 10% | 0.102 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -62.6 | -47.4 | 176.4 | -59.4 | -31.9 | 0 | 0 | 0 | 112.3 | L36 S37 D38 I43 M44 W57 Q58 L61 R62 | L36-Y40 HydrophobicContact CD1-CD1 4.3Å; L36-Y40 HydrophobicContact CD1-CE1 3.52Å; L36-Y40 HydrophobicContact CD1-CE2 4.18Å; L36-Y40 VanDerWaalsContact CD1-CZ 3.45Å; L36-Y40 WeakPolarHBondContact CD1-OH 3.4Å; L36-Y40 HydrophobicContact CD2-CE2 4.29Å; L36-Y40 WeakPolarHBondContact CD2-OH 3.36Å; L36-Y40 HydrophobicContact CG-CE1 4.04Å; L36-Y40 HydrophobicContact CG-CE2 3.74Å; L36-Y40 VanDerWaalsContact CG-CZ 3.46Å; L36-Y40 WeakPolarHBondContact CG-OH 3.38Å; L36-Y40 WeakPolarHBondContact O-CD2 3.36Å; L36-Y40 PolarHBondContact O-N 3.08Å; S37-Y40 PolarHBondContact O-N 3.47Å; D38-Y40 VanDerWaalsContact C-N 3.29Å; D38-Y40 PolarHBondContact O-N 2.9Å; Y40-I43 PolarHBondContact O-N 3.5Å; Y40-M44 WeakPolarHBondContact O-CG 2.92Å; Y40-M44 PolarHBondContact O-N 3.36Å; Y40-W57 AromaticContact CD1-CH2 3.87Å; Y40-W57 HydrophobicContact CD1-CH2 3.87Å; Y40-W57 AromaticContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CE1-CZ3 4.41Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; Y40-Q58 HydrophobicContact CD1-CG 3.81Å; Y40-Q58 HydrophobicContact CD2-CG 4.5Å; Y40-Q58 HydrophobicContact CE1-CB 3.85Å; Y40-Q58 HydrophobicContact CE1-CG 3.64Å; Y40-Q58 HydrophobicContact CE2-CG 4.36Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; Y40-L61 HydrophobicContact CD1-CD2 4.46Å; Y40-L61 HydrophobicContact CE1-CD2 3.99Å; Y40-R62 WeakPolarHBondContact OH-CD 3.11Å; Y40-R62 VanDerWaalsContact OH-CG 3.27Å; Y40-R62 WeakPolarHBondContact OH-CG 3.35Å; Y40-R62 PolarHBondContact OH-NH1 2.92Å |
| 41 | K | 97.9 | Very high | 96.3 | Very high | 108 Ų | 108 | 59.8 Ų | 59.8 | 47% | 0.47 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -51.8 | 179.1 | -68.3 | 171.9 | -170.3 | 160.8 | 0 | 110.9 | S37 D38 I43 M44 D45 | S37-K41 WeakPolarHBondContact O-CG 3.49Å; S37-K41 PolarHBondContact O-N 3.35Å; D38-K41 PolarHBondContact O-N 2.89Å; D38-K41 IonicContact OD1-NZ 2.91Å; D38-K41 PolarHBondContact OD1-NZ 3Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.02Å; K41-M44 PolarHBondContact O-N 3.31Å; K41-M44 VanDerWaalsContact O-N 3.07Å; K41-D45 WeakPolarHBondContact O-CB 3.39Å; K41-D45 PolarHBondContact O-N 2.97Å |
| 42 | F | 97.8 | Very high | 96.2 | Very high | 27 Ų | 27 | 60.4 Ų | 60.4 | 12% | 0.118 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -52.7 | -43.9 | 179 | 178.2 | -90.5 | 0 | 0 | 0 | 112.7 | M24 A25 N28 D38 R46 | M24-F42 HydrophobicContact CB-CE1 4.03Å; M24-F42 HydrophobicContact CB-CZ 4.34Å; A25-F42 HydrophobicContact CB-CB 4.04Å; A25-F42 HydrophobicContact CB-CD1 3.4Å; A25-F42 HydrophobicContact CB-CE1 3.92Å; A25-F42 HydrophobicContact CB-CG 3.73Å; N28-F42 HydrophobicContact CB-CE2 3.71Å; N28-F42 HydrophobicContact CB-CZ 4.13Å; D38-F42 WeakPolarHBondContact O-CB 3.37Å; D38-F42 PolarHBondContact O-N 2.96Å; F42-R46 WeakPolarHBondContact O-CB 3.42Å; F42-R46 PolarHBondContact O-N 3Å; F42-R46 VanDerWaalsContact O-N 3.08Å |
| 43 | I | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 60.9 Ų | 60.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 179.8 | -66.2 | 169.4 | 0 | 0 | 0 | 111 | L21 I39 Y40 K41 D45 F47 Y50 W57 L61 | L21-I43 HydrophobicContact CB-CD1 3.86Å; L21-I43 HydrophobicContact CB-CG1 4.18Å; L21-I43 HydrophobicContact CD1-CG2 4.45Å; I39-I43 HydrophobicContact CG2-CD1 3.97Å; I39-I43 VanDerWaalsContact O-CG1 3.29Å; I39-I43 WeakPolarHBondContact O-CG1 3.34Å; I39-I43 PolarHBondContact O-N 2.91Å; Y40-I43 PolarHBondContact O-N 3.5Å; K41-I43 VanDerWaalsContact C-N 3.26Å; K41-I43 PolarHBondContact O-N 3.02Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.24Å; I43-F47 HydrophobicContact CG2-CD2 4.47Å; I43-F47 WeakPolarHBondContact O-CA 3.43Å; I43-F47 WeakPolarHBondContact O-CB 3.29Å; I43-F47 PolarHBondContact O-N 2.82Å; I43-Y50 HydrophobicContact CG2-CD2 3.44Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.44Å; I43-Y50 HydrophobicContact CG2-CE2 4.09Å; I43-Y50 HydrophobicContact CG2-CG 3.72Å; I43-W57 HydrophobicContact CB-CH2 4.5Å; I43-W57 HydrophobicContact CD1-CZ3 4.26Å; I43-W57 HydrophobicContact CG2-CH2 4.43Å; I43-W57 HydrophobicContact CG2-CZ3 4.43Å; I43-L61 HydrophobicContact CD1-CD1 3.34Å |
| 44 | M | 96.3 | Very high | 95.9 | Very high | 43 Ų | 43 | 60.4 Ų | 60.4 | 21% | 0.212 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.2 | -32.7 | 179.6 | -69.5 | -175.1 | -60.9 | 0 | 0 | 112.8 | Y40 K41 R51 T54 W57 | Y40-M44 WeakPolarHBondContact O-CG 2.92Å; Y40-M44 PolarHBondContact O-N 3.36Å; K41-M44 PolarHBondContact O-N 3.31Å; K41-M44 VanDerWaalsContact O-N 3.07Å; M44-R51 HydrophobicContact CB-CG 4.15Å; M44-R51 PolarHBondContact O-NE 3.48Å; M44-R51 PolarHBondContact O-NH2 2.96Å; M44-T54 HydrophobicContact SD-CG2 4.2Å; M44-W57 HydrophobicContact CG-CH2 4.27Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.11Å |
| 45 | D | 96.1 | Very high | 95.8 | Very high | 115 Ų | 115 | 65.5 Ų | 65.5 | 62% | 0.615 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -71.9 | -46.2 | 179.2 | -66.3 | -18.5 | 0 | 0 | 0 | 110.5 | K41 I43 | K41-D45 WeakPolarHBondContact O-CB 3.39Å; K41-D45 PolarHBondContact O-N 2.97Å; I43-D45 VanDerWaalsContact C-N 3.32Å; I43-D45 PolarHBondContact O-N 3.24Å |
| 46 | R | 95.1 | Very high | 95.8 | Very high | 135 Ų | 135 | 74.7 Ų | 74.7 | 51% | 0.509 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -80.1 | -32.2 | -177.5 | -172.6 | 172.5 | -76.4 | -125.5 | 1.1 | 113.7 | F42 | F42-R46 WeakPolarHBondContact O-CB 3.42Å; F42-R46 PolarHBondContact O-N 3Å; F42-R46 VanDerWaalsContact O-N 3.08Å |
| 47 | F | 94.6 | Very high | 95.7 | Very high | 29 Ų | 29 | 73.1 Ų | 73.1 | 13% | 0.127 | 34% | 0.337 | C | S | . | . | trans | -127.8 | 93.6 | -174.4 | -58.7 | -68.2 | 0 | 0 | 0 | 110.7 | P14 Y16 L21 M24 I43 Y49 Y50 | P14-F47 HydrophobicContact CB-CD1 3.91Å; P14-F47 HydrophobicContact CB-CE1 4.08Å; P14-F47 HydrophobicContact CB-CG 4.49Å; P14-F47 HydrophobicContact CG-CB 3.91Å; P14-F47 HydrophobicContact CG-CD1 3.43Å; P14-F47 VanDerWaalsContact CG-CD1 3.43Å; P14-F47 HydrophobicContact CG-CE1 4.12Å; P14-F47 HydrophobicContact CG-CG 3.78Å; Y16-F47 AromaticContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE1 3.89Å; Y16-F47 HydrophobicContact CD2-CE2 4.45Å; Y16-F47 AromaticContact CD2-CZ 3.65Å; Y16-F47 HydrophobicContact CD2-CZ 3.65Å; Y16-F47 AromaticContact CE2-CE1 3.73Å; Y16-F47 HydrophobicContact CE2-CE1 3.73Å; Y16-F47 AromaticContact CE2-CZ 3.66Å; Y16-F47 HydrophobicContact CE2-CZ 3.66Å; L21-F47 HydrophobicContact CD2-CD2 3.64Å; L21-F47 HydrophobicContact CD2-CE2 3.35Å; L21-F47 HydrophobicContact CD2-CZ 4.13Å; M24-F47 HydrophobicContact CE-CE2 4.01Å; M24-F47 HydrophobicContact CE-CZ 4.01Å; I43-F47 HydrophobicContact CG2-CD2 4.47Å; I43-F47 WeakPolarHBondContact O-CA 3.43Å; I43-F47 WeakPolarHBondContact O-CB 3.29Å; I43-F47 PolarHBondContact O-N 2.82Å; F47-Y49 PolarHBondContact O-N 3.07Å; F47-Y49 VanDerWaalsContact O-N 3.07Å; F47-Y50 HydrophobicContact CB-CD2 3.75Å; F47-Y50 HydrophobicContact CB-CE2 4.23Å; F47-Y50 PolarHBondContact O-N 3.33Å | ||
| 48 | P | 93.8 | Very high | 95.7 | Very high | 39 Ų | 39 | 71.6 Ų | 71.6 | 25% | 0.253 | 32% | 0.323 | S | S | . | . | G | 310 helix | trans | -53.4 | -32.1 | -176.7 | -29.4 | 36.6 | 0 | 0 | 0 | 114.6 | Y50 R51 | P48-Y50 PolarHBondContact O-N 2.96Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.38Å; P48-R51 PolarHBondContact O-N 2.84Å |
| 49 | Y | 94.4 | Very high | 95.7 | Very high | 92 Ų | 92 | 73.7 Ų | 73.7 | 36% | 0.361 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -44.5 | -33.9 | 172.3 | 176.2 | -103.7 | 0 | 0 | 0 | 114.9 | S10 D11 K13 F47 | S10-Y49 PolarHBondContact O-N 2.95Å; D11-Y49 WeakPolarHBondContact O-CD2 3.38Å; K13-Y49 HydrophobicContact CB-CD1 4.15Å; K13-Y49 HydrophobicContact CB-CD2 4.38Å; K13-Y49 HydrophobicContact CB-CE1 3.71Å; K13-Y49 HydrophobicContact CB-CE2 3.95Å; K13-Y49 HydrophobicContact CB-CG 4.46Å; K13-Y49 HydrophobicContact CD-CE1 4.08Å; K13-Y49 HydrophobicContact CG-CD1 4.14Å; K13-Y49 HydrophobicContact CG-CE1 3.57Å; F47-Y49 PolarHBondContact O-N 3.07Å; F47-Y49 VanDerWaalsContact O-N 3.07Å |
| 50 | Y | 95.9 | Very high | 95.7 | Very high | 3 Ų | 3 | 75.6 Ų | 75.6 | 1% | 0.012 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -90 | 1.8 | -176.6 | -68 | -72 | 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 4.06Å; L21-Y50 HydrophobicContact CD1-CE2 3.8Å; I43-Y50 HydrophobicContact CG2-CD2 3.44Å; I43-Y50 VanDerWaalsContact CG2-CD2 3.44Å; I43-Y50 HydrophobicContact CG2-CE2 4.09Å; I43-Y50 HydrophobicContact CG2-CG 3.72Å; F47-Y50 HydrophobicContact CB-CD2 3.75Å; F47-Y50 HydrophobicContact CB-CE2 4.23Å; F47-Y50 PolarHBondContact O-N 3.33Å; P48-Y50 PolarHBondContact O-N 2.96Å; Y50-E52 VanDerWaalsContact C-N 3.29Å; Y50-W57 HydrophobicContact CD1-CB 4.09Å; Y50-W57 AromaticContact CD1-CD1 3.86Å; Y50-W57 AromaticContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CE3 4.37Å; Y50-W57 AromaticContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CE1-CB 4.25Å; Y50-W57 HydrophobicContact CE1-CG 4.33Å; Y50-W57 HydrophobicContact CG-CD2 4.48Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.39Å; Y50-W57 PolarHBondContact O-NE1 3.22Å |
| 51 | R | 95.1 | Very high | 95.7 | Very high | 139 Ų | 139 | 74.4 Ų | 74.4 | 53% | 0.525 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -71.6 | -28 | 177.2 | -66.1 | 176.2 | -173.3 | 172.6 | 1.7 | 112.3 | M44 P48 T54 | M44-R51 HydrophobicContact CB-CG 4.15Å; M44-R51 PolarHBondContact O-NE 3.48Å; M44-R51 PolarHBondContact O-NH2 2.96Å; P48-R51 WeakPolarHBondContact O-CB 3.48Å; P48-R51 WeakPolarHBondContact O-CG 3.38Å; P48-R51 PolarHBondContact O-N 2.84Å; R51-T54 WeakPolarHBondContact O-CG2 3.46Å |
| 52 | E | 91.7 | Very high | 95.7 | Very high | 142 Ų | 142 | 73.2 Ų | 73.2 | 66% | 0.664 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -93.2 | 160.5 | 176.6 | -61.1 | -176.4 | -177.5 | 0 | 0 | 111.7 | Y50 T54 | Y50-E52 VanDerWaalsContact C-N 3.29Å; E52-T54 PolarHBondContact O-N 3.49Å; E52-T54 VanDerWaalsContact O-N 3.11Å |
| 53 | N | 90.8 | Very high | 95.7 | Very high | 132 Ų | 132 | 77.1 Ų | 77.1 | 71% | 0.706 | 35% | 0.354 | S | S | * | . | S | Bend | trans | 52.4 | 38.4 | 173.6 | -62.8 | -63.9 | 0 | 0 | 0 | 113.9 | Q55 R56 | N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 3.49Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; N53-R56 PolarHBondContact O-N 3.39Å |
| 54 | T | 93.3 | Very high | 95.7 | Very high | 44 Ų | 44 | 78.3 Ų | 78.3 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -54.6 | -39.1 | -166.9 | 54.4 | 0 | 0 | 0 | 0 | 114 | M44 R51 E52 R56 Q58 | M44-T54 HydrophobicContact SD-CG2 4.2Å; R51-T54 WeakPolarHBondContact O-CG2 3.46Å; E52-T54 PolarHBondContact O-N 3.49Å; E52-T54 VanDerWaalsContact O-N 3.11Å; T54-R56 PolarHBondContact O-N 2.89Å; T54-Q58 WeakPolarHBondContact O-CB 3.36Å; T54-Q58 WeakPolarHBondContact O-CG 3.47Å; T54-Q58 PolarHBondContact O-N 3.31Å |
| 55 | Q | 96.4 | Very high | 95.7 | Very high | 134 Ų | 134 | 76.4 Ų | 76.4 | 63% | 0.626 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -58 | -42.6 | -177.3 | -66 | -61 | -22.2 | 0 | 0 | 113.6 | N53 N59 | N53-Q55 VanDerWaalsContact C-N 3.27Å; N53-Q55 PolarHBondContact O-N 3.49Å; N53-Q55 VanDerWaalsContact O-N 3.13Å; Q55-N59 WeakPolarHBondContact O-CB 3.36Å; Q55-N59 PolarHBondContact O-N 3Å |
| 56 | R | 95.9 | Very high | 95.7 | Very high | 203 Ų | 203 | 75.7 Ų | 75.7 | 77% | 0.766 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -68.2 | -50 | -173.3 | 179.2 | -177.5 | -73.5 | -86.8 | 3.1 | 111.8 | N53 T54 S60 | N53-R56 PolarHBondContact O-N 3.39Å; T54-R56 PolarHBondContact O-N 2.89Å; R56-S60 PolarHBondContact O-N 3.2Å; R56-S60 PolarHBondContact O-OG 2.96Å; R56-S60 VanDerWaalsContact O-OG 3.12Å |
| 57 | W | 96.6 | Very high | 95.6 | Very high | 12 Ų | 12 | 74.9 Ų | 74.9 | 5% | 0.045 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -76 | -34.1 | -177.3 | 72 | -104.7 | 0 | 0 | 0 | 111.4 | Y18 Y40 I43 M44 Y50 N59 S60 L61 | Y18-W57 HydrophobicContact CE1-CB 4.13Å; Y18-W57 WeakPolarHBondContact OH-CB 3.33Å; Y40-W57 AromaticContact CD1-CH2 3.87Å; Y40-W57 HydrophobicContact CD1-CH2 3.87Å; Y40-W57 AromaticContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CD1-CZ3 3.83Å; Y40-W57 HydrophobicContact CE1-CZ3 4.41Å; Y40-W57 HydrophobicContact CG-CH2 4.3Å; I43-W57 HydrophobicContact CB-CH2 4.5Å; I43-W57 HydrophobicContact CD1-CZ3 4.26Å; I43-W57 HydrophobicContact CG2-CH2 4.43Å; I43-W57 HydrophobicContact CG2-CZ3 4.43Å; M44-W57 HydrophobicContact CG-CH2 4.27Å; M44-W57 HydrophobicContact CG-CZ2 3.81Å; M44-W57 HydrophobicContact SD-CZ2 4.11Å; Y50-W57 HydrophobicContact CD1-CB 4.09Å; Y50-W57 AromaticContact CD1-CD1 3.86Å; Y50-W57 AromaticContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CD2 3.84Å; Y50-W57 HydrophobicContact CD1-CE3 4.37Å; Y50-W57 AromaticContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CD1-CG 3.69Å; Y50-W57 HydrophobicContact CE1-CB 4.25Å; Y50-W57 HydrophobicContact CE1-CG 4.33Å; Y50-W57 HydrophobicContact CG-CD2 4.48Å; Y50-W57 WeakPolarHBondContact O-CZ2 3.39Å; Y50-W57 PolarHBondContact O-NE1 3.22Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.22Å; W57-S60 CarbonylContact O-C 3.6Å; W57-S60 WeakPolarHBondContact O-CB 3.42Å; W57-S60 PolarHBondContact O-N 3.04Å; W57-L61 HydrophobicContact CE3-CB 4.47Å; W57-L61 HydrophobicContact CE3-CD1 4.36Å; W57-L61 HydrophobicContact CZ3-CD1 3.97Å; W57-L61 WeakPolarHBondContact O-CB 3.23Å; W57-L61 PolarHBondContact O-N 2.78Å |
| 58 | Q | 97.9 | Very high | 95.5 | Very high | 27 Ų | 27 | 74.1 Ų | 74.1 | 13% | 0.126 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -64.5 | -37.4 | 174.7 | -71.3 | 179.8 | 6.5 | 0 | 0 | 111.6 | Y40 T54 S60 L61 R62 | Y40-Q58 HydrophobicContact CD1-CG 3.81Å; Y40-Q58 HydrophobicContact CD2-CG 4.5Å; Y40-Q58 HydrophobicContact CE1-CB 3.85Å; Y40-Q58 HydrophobicContact CE1-CG 3.64Å; Y40-Q58 HydrophobicContact CE2-CG 4.36Å; Y40-Q58 HydrophobicContact CG-CG 4.23Å; T54-Q58 WeakPolarHBondContact O-CB 3.36Å; T54-Q58 WeakPolarHBondContact O-CG 3.47Å; T54-Q58 PolarHBondContact O-N 3.31Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; Q58-L61 PolarHBondContact O-N 2.99Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.46Å |
| 59 | N | 97.9 | Very high | 95.4 | Very high | 97 Ų | 97 | 75.7 Ų | 75.7 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 172.9 | -171.1 | 30.3 | 0 | 0 | 0 | 111.5 | Q55 W57 L61 R62 H63 | Q55-N59 WeakPolarHBondContact O-CB 3.36Å; Q55-N59 PolarHBondContact O-N 3Å; W57-N59 VanDerWaalsContact C-N 3.31Å; W57-N59 PolarHBondContact O-N 3.22Å; N59-L61 VanDerWaalsContact C-N 3.28Å; N59-L61 PolarHBondContact O-N 3.03Å; N59-R62 PolarHBondContact O-N 3.44Å; N59-H63 PolarHBondContact O-N 3.43Å |
| 60 | S | 97.4 | Very high | 95.3 | Very high | 41 Ų | 41 | 71.6 Ų | 71.6 | 29% | 0.287 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 175.5 | -56.5 | 0 | 0 | 0 | 0 | 111.8 | R56 W57 Q58 H63 N64 | R56-S60 PolarHBondContact O-N 3.2Å; R56-S60 PolarHBondContact O-OG 2.96Å; R56-S60 VanDerWaalsContact O-OG 3.12Å; W57-S60 CarbonylContact O-C 3.6Å; W57-S60 WeakPolarHBondContact O-CB 3.42Å; W57-S60 PolarHBondContact O-N 3.04Å; Q58-S60 VanDerWaalsContact C-N 3.34Å; S60-H63 PolarHBondContact O-N 3.49Å; S60-N64 PolarHBondContact O-N 3.2Å; S60-N64 PolarHBondContact O-ND2 3.19Å |
| 61 | L | 97.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 72 Ų | 72 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -67.5 | -45.4 | 177.9 | -167.4 | 145.8 | 0 | 0 | 0 | 111.7 | L36 I39 Y40 I43 W57 Q58 N59 H63 N64 L65 | L36-L61 HydrophobicContact CD1-CD2 3.84Å; I39-L61 HydrophobicContact CG2-CD1 4.11Å; I39-L61 HydrophobicContact CG2-CD2 4.14Å; Y40-L61 HydrophobicContact CD1-CD2 4.46Å; Y40-L61 HydrophobicContact CE1-CD2 3.99Å; I43-L61 HydrophobicContact CD1-CD1 3.34Å; W57-L61 HydrophobicContact CE3-CB 4.47Å; W57-L61 HydrophobicContact CE3-CD1 4.36Å; W57-L61 HydrophobicContact CZ3-CD1 3.97Å; W57-L61 WeakPolarHBondContact O-CB 3.23Å; W57-L61 PolarHBondContact O-N 2.78Å; Q58-L61 PolarHBondContact O-N 2.99Å; N59-L61 VanDerWaalsContact C-N 3.28Å; N59-L61 PolarHBondContact O-N 3.03Å; L61-H63 VanDerWaalsContact C-N 3.3Å; L61-H63 PolarHBondContact O-N 3.07Å; L61-N64 WeakPolarHBondContact O-CB 3.34Å; L61-N64 PolarHBondContact O-N 3.48Å; L61-L65 HydrophobicContact CD2-CD1 3.71Å; L61-L65 HydrophobicContact CD2-CG 4.11Å; L61-L65 PolarHBondContact O-N 3.32Å |
| 62 | R | 98.1 | Very high | 95.4 | Very high | 84 Ų | 84 | 68.3 Ų | 68.3 | 32% | 0.317 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -58.5 | -42.4 | 174.6 | -72 | -172.7 | -61.9 | -93 | 10.6 | 112.1 | L36 Y40 Q58 N59 N64 L65 S66 | L36-R62 HydrophobicContact CD1-CG 4.31Å; L36-R62 HydrophobicContact CD2-CG 3.9Å; Y40-R62 WeakPolarHBondContact OH-CD 3.11Å; Y40-R62 VanDerWaalsContact OH-CG 3.27Å; Y40-R62 WeakPolarHBondContact OH-CG 3.35Å; Y40-R62 PolarHBondContact OH-NH1 2.92Å; Q58-R62 WeakPolarHBondContact O-CG 3.49Å; Q58-R62 PolarHBondContact O-N 3.46Å; N59-R62 PolarHBondContact O-N 3.44Å; R62-N64 VanDerWaalsContact C-N 3.33Å; R62-N64 PolarHBondContact O-N 3.08Å; R62-L65 PolarHBondContact O-N 3.44Å; R62-S66 PolarHBondContact O-N 2.84Å |
| 63 | H | 97.7 | Very high | 95.6 | Very high | 108 Ų | 108 | 68.1 Ų | 68.1 | 50% | 0.5 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -59.7 | -43.8 | 173.3 | 172.3 | 70.2 | 0 | 0 | 0 | 111.5 | N59 S60 L61 L65 S66 F67 | N59-H63 PolarHBondContact O-N 3.43Å; S60-H63 PolarHBondContact O-N 3.49Å; L61-H63 VanDerWaalsContact C-N 3.3Å; L61-H63 PolarHBondContact O-N 3.07Å; H63-L65 PolarHBondContact O-N 3.31Å; H63-S66 PolarHBondContact O-N 3.25Å; H63-F67 AromaticContact CE1-CD2 3.85Å; H63-F67 AromaticContact CE1-CG 3.95Å; H63-F67 AromaticContact NE2-CG 3.9Å; H63-F67 WeakPolarHBondContact O-CB 3.38Å; H63-F67 PolarHBondContact O-N 3.34Å |
| 64 | N | 96.3 | Very high | 95.9 | Very high | 25 Ų | 25 | 64.1 Ų | 64.1 | 13% | 0.134 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 179.6 | -85.4 | -90.1 | 0 | 0 | 0 | 113.4 | S60 L61 R62 F67 N68 | S60-N64 PolarHBondContact O-N 3.2Å; S60-N64 PolarHBondContact O-ND2 3.19Å; L61-N64 WeakPolarHBondContact O-CB 3.34Å; L61-N64 PolarHBondContact O-N 3.48Å; R62-N64 VanDerWaalsContact C-N 3.33Å; R62-N64 PolarHBondContact O-N 3.08Å; N64-F67 PolarHBondContact O-N 3.36Å; N64-N68 PolarHBondContact O-N 2.79Å; N64-N68 VanDerWaalsContact O-N 3.09Å; N64-N68 PolarHBondContact O-ND2 3.08Å; N64-N68 PolarHBondContact OD1-ND2 2.72Å; N64-N68 VanDerWaalsContact OD1-ND2 3.14Å |
| 65 | L | 96.8 | Very high | 96 | Very high | 3 Ų | 3 | 66.9 Ų | 66.9 | 2% | 0.016 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -62 | -43.9 | 177.6 | -73.3 | 172.1 | 0 | 0 | 0 | 111.8 | T22 L36 L61 R62 H63 F71 W87 | T22-L65 HydrophobicContact CG2-CD2 3.66Å; L36-L65 HydrophobicContact CD1-CD1 3.52Å; L61-L65 HydrophobicContact CD2-CD1 3.71Å; L61-L65 HydrophobicContact CD2-CG 4.11Å; L61-L65 PolarHBondContact O-N 3.32Å; R62-L65 PolarHBondContact O-N 3.44Å; H63-L65 PolarHBondContact O-N 3.31Å; L65-F71 HydrophobicContact CD2-CB 4.08Å; L65-F71 HydrophobicContact CD2-CD1 4.24Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.85Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.05Å; L65-W87 HydrophobicContact CB-CH2 3.72Å; L65-W87 HydrophobicContact CB-CZ2 3.85Å; L65-W87 HydrophobicContact CB-CZ3 3.83Å; L65-W87 HydrophobicContact CD1-CD2 4.14Å; L65-W87 HydrophobicContact CD1-CG 4.26Å; L65-W87 HydrophobicContact CD1-CZ2 4.35Å; L65-W87 HydrophobicContact CD2-CB 4.29Å; L65-W87 HydrophobicContact CD2-CD2 3.88Å; L65-W87 HydrophobicContact CD2-CE3 3.97Å; L65-W87 HydrophobicContact CD2-CG 4.04Å; L65-W87 HydrophobicContact CG-CD2 4.29Å; L65-W87 HydrophobicContact CG-CE3 4.5Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.11Å |
| 66 | S | 95.7 | Very high | 95.8 | Very high | 100 Ų | 100 | 63.7 Ų | 63.7 | 70% | 0.699 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -81.4 | -25.4 | 179.5 | -55.9 | 0 | 0 | 0 | 0 | 113.6 | R62 H63 | R62-S66 PolarHBondContact O-N 2.84Å; H63-S66 PolarHBondContact O-N 3.25Å |
| 67 | F | 93.4 | Very high | 95.6 | Very high | 118 Ų | 118 | 62 Ų | 62 | 52% | 0.518 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -88.2 | -31.7 | -173.9 | -178.4 | -94.2 | 0 | 0 | 0 | 114 | H63 N64 | H63-F67 AromaticContact CE1-CD2 3.85Å; H63-F67 AromaticContact CE1-CG 3.95Å; H63-F67 AromaticContact NE2-CG 3.9Å; H63-F67 WeakPolarHBondContact O-CB 3.38Å; H63-F67 PolarHBondContact O-N 3.34Å; N64-F67 PolarHBondContact O-N 3.36Å |
| 68 | N | 92.8 | Very high | 95.3 | Very high | 13 Ų | 13 | 67.7 Ų | 67.7 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | trans | -102.1 | 126.6 | -175.3 | -60.1 | -87.1 | 0 | 0 | 0 | 111.1 | I19 N64 C70 F71 | I19-N68 WeakPolarHBondContact CD1-OD1 3.37Å; N64-N68 PolarHBondContact O-N 2.79Å; N64-N68 VanDerWaalsContact O-N 3.09Å; N64-N68 PolarHBondContact O-ND2 3.08Å; N64-N68 PolarHBondContact OD1-ND2 2.72Å; N64-N68 VanDerWaalsContact OD1-ND2 3.14Å; N68-C70 PolarHBondContact O-N 2.88Å; N68-F71 HydrophobicContact CB-CD2 4.36Å; N68-F71 PolarHBondContact O-N 3.02Å; N68-F71 VanDerWaalsContact O-N 3.08Å | ||
| 69 | D | 92.1 | Very high | 95 | Very high | 73 Ų | 73 | 70.7 Ų | 70.7 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61 | -12 | 177.7 | -55 | -26.5 | 0 | 0 | 0 | 114.2 | F71 F109 L111 | D69-F71 PolarHBondContact O-N 3.45Å; D69-F109 HydrophobicContact CB-CD1 4.05Å; D69-F109 HydrophobicContact CB-CE1 3.87Å; D69-L111 HydrophobicContact CB-CB 3.96Å; D69-L111 PolarHBondContact OD2-N 3.25Å |
| 70 | C | 92.6 | Very high | 94.5 | Very high | 6 Ų | 6 | 71 Ų | 71 | 4% | 0.041 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -24.7 | 172.6 | -64.5 | 0 | 0 | 0 | 0 | 112.4 | N68 L89 H90 C93 F109 | N68-C70 PolarHBondContact O-N 2.88Å; C70-L89 CarbonylContact O-C 3.55Å; C70-L89 WeakPolarHBondContact O-CA 3.25Å; C70-H90 PolarHBondContact O-N 3.09Å; C70-C93 HydrophobicContact CB-CB 4.29Å; C70-C93 PolarHBondContact O-SG 2.88Å; C70-F109 HydrophobicContact CB-CD1 4.41Å; C70-F109 VanDerWaalsContact SG-CB 3.53Å; C70-F109 WeakPolarHBondContact SG-CD1 3.42Å |
| 71 | F | 95.6 | Very high | 93.9 | Very high | 11 Ų | 11 | 75 Ų | 75 | 5% | 0.048 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.5 | -175.8 | -56.6 | -62 | 0 | 0 | 0 | 110.5 | I19 T22 I26 L65 N68 D69 W87 A88 L89 | I19-F71 HydrophobicContact CB-CE2 4.35Å; I19-F71 HydrophobicContact CB-CZ 4.36Å; I19-F71 HydrophobicContact CG1-CE2 4.33Å; I19-F71 HydrophobicContact CG2-CE2 4.03Å; I19-F71 HydrophobicContact CG2-CZ 3.85Å; T22-F71 HydrophobicContact CG2-CD1 3.85Å; T22-F71 HydrophobicContact CG2-CE1 3.33Å; T22-F71 HydrophobicContact CG2-CE2 4.3Å; T22-F71 HydrophobicContact CG2-CZ 3.6Å; I26-F71 HydrophobicContact CD1-CD1 4.07Å; I26-F71 HydrophobicContact CD1-CE1 4.2Å; L65-F71 HydrophobicContact CD2-CB 4.08Å; L65-F71 HydrophobicContact CD2-CD1 4.24Å; L65-F71 HydrophobicContact CD2-CD2 4.04Å; L65-F71 HydrophobicContact CD2-CG 3.85Å; N68-F71 HydrophobicContact CB-CD2 4.36Å; N68-F71 PolarHBondContact O-N 3.02Å; N68-F71 VanDerWaalsContact O-N 3.08Å; D69-F71 PolarHBondContact O-N 3.45Å; F71-W87 HydrophobicContact CB-CE3 3.94Å; F71-W87 HydrophobicContact CB-CZ3 4.23Å; F71-A88 WeakPolarHBondContact CA-O 3.48Å; F71-L89 HydrophobicContact CD1-CD2 3.93Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å; F71-L89 HydrophobicContact CZ-CD2 4.49Å |
| 72 | I | 96.3 | Very high | 93.6 | Very high | 62 Ų | 62 | 77.2 Ų | 77.2 | 32% | 0.318 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.7 | 137.5 | 175.9 | 59.3 | 173.4 | 0 | 0 | 0 | 109.7 | I74 W87 A88 H90 | I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CD1-CG1 4.48Å; I72-I74 HydrophobicContact CG1-CG1 4.42Å; I72-W87 WeakPolarHBondContact O-CA 3.27Å; I72-A88 HydrophobicContact CD1-CB 4.22Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.97Å; I72-A88 PolarHBondContact O-N 2.99Å; I72-A88 VanDerWaalsContact O-N 3.07Å; I72-H90 HydrophobicContact CG2-CB 4.28Å |
| 73 | K | 97.3 | Very high | 93.3 | Very high | 138 Ų | 138 | 82.8 Ų | 82.8 | 60% | 0.6 | 43% | 0.434 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 115.7 | 176.8 | -175.6 | -177.5 | 175.5 | -174.3 | 0 | 109.1 | S85 W87 | K73-S85 WeakPolarHBondContact CE-OG 3.22Å; K73-W87 HydrophobicContact CB-CE3 4.22Å; K73-W87 HydrophobicContact CB-CH2 4.04Å; K73-W87 HydrophobicContact CB-CZ2 4.43Å; K73-W87 HydrophobicContact CB-CZ3 3.91Å; K73-W87 HydrophobicContact CD-CZ2 4.47Å; K73-W87 HydrophobicContact CG-CH2 4.43Å; K73-W87 HydrophobicContact CG-CZ2 4.37Å |
| 74 | I | 96.1 | Very high | 93.1 | Very high | 48 Ų | 48 | 80.2 Ų | 80.2 | 25% | 0.246 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 120.3 | -179.9 | -60 | 174.5 | 0 | 0 | 0 | 108.8 | M33 I72 S85 F86 A88 | M33-I74 HydrophobicContact CE-CD1 4.03Å; M33-I74 HydrophobicContact SD-CD1 4.12Å; I72-I74 HydrophobicContact CD1-CD1 4.46Å; I72-I74 HydrophobicContact CD1-CG1 4.48Å; I72-I74 HydrophobicContact CG1-CG1 4.42Å; I74-S85 WeakPolarHBondContact O-CB 3.47Å; I74-F86 HydrophobicContact CB-CB 4.08Å; I74-F86 PolarHBondContact N-O 3.1Å; I74-F86 PolarHBondContact O-N 3.23Å; I74-A88 HydrophobicContact CD1-CB 3.54Å; I74-A88 HydrophobicContact CG1-CB 4.46Å |
| 75 | P | 95 | Very high | 93.1 | Very high | 102 Ų | 102 | 80.2 Ų | 80.2 | 66% | 0.662 | 44% | 0.438 | S | S | * | . | P | Polyproline II helix | trans | -63.9 | 146.5 | 175.5 | 27.8 | -33.1 | 0 | 0 | 0 | 110.4 | ||
| 76 | R | 93.4 | Very high | 93.1 | Very high | 66 Ų | 66 | 81.3 Ų | 81.3 | 25% | 0.249 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -70.8 | 148.5 | 173.2 | -68.4 | -173.7 | 179 | -90.3 | -0.5 | 109.7 | K83 G84 F86 | R76-K83 PolarHBondContact NE-O 3.46Å; R76-K83 PolarHBondContact NH2-O 3.21Å; R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.48Å; R76-G84 PolarHBondContact NE-O 2.66Å; R76-F86 HydrophobicContact CG-CD2 3.93Å; R76-F86 HydrophobicContact CG-CE2 3.82Å |
| 77 | R | 91.6 | Very high | 93.2 | Very high | 167 Ų | 167 | 77.9 Ų | 77.9 | 63% | 0.63 | 42% | 0.415 | S | S | * | . | P | Polyproline II helix | trans | -69.1 | 147.6 | 171.1 | -52.8 | 172.9 | 50.2 | 155 | 3.1 | 109.9 | D79 Q80 | R77-D79 WeakPolarHBondContact CB-OD1 3.4Å; R77-D79 IonicContact CZ-OD1 3.68Å; R77-D79 IonicContact CZ-OD2 3.49Å; R77-D79 IonicContact NE-OD1 2.93Å; R77-D79 PolarHBondContact NE-OD1 2.83Å; R77-D79 IonicContact NE-OD2 3.29Å; R77-D79 PolarHBondContact NE-OD2 3.04Å; R77-D79 IonicContact NH2-OD1 3.66Å; R77-D79 IonicContact NH2-OD2 3.48Å; R77-D79 PolarHBondContact NH2-OD2 3.04Å; R77-D79 PolarHBondContact O-N 3.39Å; R77-Q80 PolarHBondContact O-N 2.81Å; R77-Q80 VanDerWaalsContact O-N 3.09Å |
| 78 | P | 90 | Very high | 93.4 | Very high | 133 Ų | 133 | 72.6 Ų | 72.6 | 86% | 0.864 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -23.7 | -178.2 | 26.1 | -34.7 | 0 | 0 | 0 | 113.4 | Q80 | P78-Q80 VanDerWaalsContact C-N 3.27Å; P78-Q80 PolarHBondContact O-N 3.03Å |
| 79 | D | 91.3 | Very high | 93.5 | Very high | 89 Ų | 89 | 73.3 Ų | 73.3 | 48% | 0.476 | 40% | 0.397 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -15.3 | 175.4 | 54.3 | -57.8 | 0 | 0 | 0 | 113.9 | R77 P81 | R77-D79 WeakPolarHBondContact CB-OD1 3.4Å; R77-D79 IonicContact CZ-OD1 3.68Å; R77-D79 IonicContact CZ-OD2 3.49Å; R77-D79 IonicContact NE-OD1 2.93Å; R77-D79 PolarHBondContact NE-OD1 2.83Å; R77-D79 IonicContact NE-OD2 3.29Å; R77-D79 PolarHBondContact NE-OD2 3.04Å; R77-D79 IonicContact NH2-OD1 3.66Å; R77-D79 IonicContact NH2-OD2 3.48Å; R77-D79 PolarHBondContact NH2-OD2 3.04Å; R77-D79 PolarHBondContact O-N 3.39Å; D79-P81 WeakPolarHBondContact O-CD 3.43Å |
| 80 | Q | 87.1 | Confident | 93.6 | Very high | 104 Ų | 104 | 71.2 Ų | 71.2 | 49% | 0.486 | 39% | 0.385 | S | S | . | . | S | Bend | trans | -122.3 | 78.8 | 179.9 | -65.3 | -173 | 19.2 | 0 | 0 | 111 | R77 P78 G82 | R77-Q80 PolarHBondContact O-N 2.81Å; R77-Q80 VanDerWaalsContact O-N 3.09Å; P78-Q80 VanDerWaalsContact C-N 3.27Å; P78-Q80 PolarHBondContact O-N 3.03Å; Q80-G82 PolarHBondContact O-N 3.13Å |
| 81 | P | 85.9 | Confident | 93.4 | Very high | 124 Ų | 124 | 75.4 Ų | 75.4 | 81% | 0.805 | 41% | 0.412 | S | S | * | . | trans | -62.4 | 126.9 | 176.1 | 26.2 | -33.2 | 0 | 0 | 0 | 110.1 | D79 | D79-P81 WeakPolarHBondContact O-CD 3.43Š| ||
| 82 | G | 90.8 | Very high | 93 | Very high | 47 Ų | 47 | 79.6 Ų | 79.6 | 49% | 0.485 | 44% | 0.435 | S | S | . | . | trans | -165.4 | 160.9 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113 | Q80 G84 | Q80-G82 PolarHBondContact O-N 3.13Å; G82-G84 PolarHBondContact O-N 3.3Å | ||
| 83 | K | 92.2 | Very high | 92.4 | Very high | 201 Ų | 201 | 76.7 Ų | 76.7 | 87% | 0.874 | 42% | 0.42 | S | S | * | . | S | Bend | trans | -71.6 | 130.5 | -179.7 | -172.5 | 172.7 | -177.6 | 172.7 | 0 | 111 | R76 | R76-K83 PolarHBondContact NE-O 3.46Å; R76-K83 PolarHBondContact NH2-O 3.21Å |
| 84 | G | 93.9 | Very high | 91.3 | Very high | 54 Ų | 54 | 71 Ų | 71 | 56% | 0.557 | 40% | 0.401 | S | S | * | . | S | Bend | trans | 68.8 | -171.3 | 172.5 | 0 | 0 | 0 | 0 | 0 | 114 | R76 G82 | R76-G84 VanDerWaalsContact CD-O 3.27Å; R76-G84 WeakPolarHBondContact CD-O 3.48Å; R76-G84 PolarHBondContact NE-O 2.66Å; G82-G84 PolarHBondContact O-N 3.3Å |
| 85 | S | 96.3 | Very high | 90.5 | Very high | 25 Ų | 25 | 74.3 Ų | 74.3 | 18% | 0.175 | 42% | 0.419 | C | S | . | . | trans | -106.2 | 163.1 | 179.4 | -58.7 | 0 | 0 | 0 | 0 | 110.9 | K73 I74 | K73-S85 WeakPolarHBondContact CE-OG 3.22Å; I74-S85 WeakPolarHBondContact O-CB 3.47Å | ||
| 86 | F | 97.1 | Very high | 89.6 | Confident | 27 Ų | 27 | 71.6 Ų | 71.6 | 12% | 0.118 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.1 | 150.9 | 167 | -69 | -78.6 | 0 | 0 | 0 | 110 | M33 P35 I74 R76 | M33-F86 HydrophobicContact CB-CB 4.41Å; M33-F86 HydrophobicContact CG-CB 4.37Å; M33-F86 HydrophobicContact CG-CD1 4.2Å; M33-F86 HydrophobicContact CG-CG 4.42Å; M33-F86 HydrophobicContact SD-CB 4.1Å; M33-F86 HydrophobicContact SD-CD1 4.44Å; M33-F86 HydrophobicContact SD-CG 4.15Å; P35-F86 HydrophobicContact CB-CD1 4.48Å; I74-F86 HydrophobicContact CB-CB 4.08Å; I74-F86 PolarHBondContact N-O 3.1Å; I74-F86 PolarHBondContact O-N 3.23Å; R76-F86 HydrophobicContact CG-CD2 3.93Å; R76-F86 HydrophobicContact CG-CE2 3.82Å |
| 87 | W | 97.8 | Very high | 88.7 | Confident | 27 Ų | 27 | 68.8 Ų | 68.8 | 10% | 0.102 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 130.6 | 172.9 | -68.5 | 93.5 | 0 | 0 | 0 | 108.8 | M33 L34 I39 L65 F71 I72 K73 | M33-W87 CarbonylContact C-O 3.6Å; M33-W87 VanDerWaalsContact CA-O 3.27Å; M33-W87 WeakPolarHBondContact CA-O 3.4Å; L34-W87 PolarHBondContact N-O 3.07Å; L34-W87 PolarHBondContact O-N 3.11Å; I39-W87 HydrophobicContact CD1-CB 4.2Å; L65-W87 HydrophobicContact CB-CD2 4.15Å; L65-W87 HydrophobicContact CB-CE3 4.05Å; L65-W87 HydrophobicContact CB-CH2 3.72Å; L65-W87 HydrophobicContact CB-CZ2 3.85Å; L65-W87 HydrophobicContact CB-CZ3 3.83Å; L65-W87 HydrophobicContact CD1-CD2 4.14Å; L65-W87 HydrophobicContact CD1-CG 4.26Å; L65-W87 HydrophobicContact CD1-CZ2 4.35Å; L65-W87 HydrophobicContact CD2-CB 4.29Å; L65-W87 HydrophobicContact CD2-CD2 3.88Å; L65-W87 HydrophobicContact CD2-CE3 3.97Å; L65-W87 HydrophobicContact CD2-CG 4.04Å; L65-W87 HydrophobicContact CG-CD2 4.29Å; L65-W87 HydrophobicContact CG-CE3 4.5Å; L65-W87 VanDerWaalsContact O-CZ3 3.23Å; L65-W87 WeakPolarHBondContact O-CZ3 3.11Å; F71-W87 HydrophobicContact CB-CE3 3.94Å; F71-W87 HydrophobicContact CB-CZ3 4.23Å; I72-W87 WeakPolarHBondContact O-CA 3.27Å; K73-W87 HydrophobicContact CB-CE3 4.22Å; K73-W87 HydrophobicContact CB-CH2 4.04Å; K73-W87 HydrophobicContact CB-CZ2 4.43Å; K73-W87 HydrophobicContact CB-CZ3 3.91Å; K73-W87 HydrophobicContact CD-CZ2 4.47Å; K73-W87 HydrophobicContact CG-CH2 4.43Å; K73-W87 HydrophobicContact CG-CZ2 4.37Å |
| 88 | A | 96.6 | Very high | 87.8 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 6% | 0.058 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 164.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | M33 F71 I72 I74 | M33-A88 HydrophobicContact CB-CB 3.95Å; F71-A88 WeakPolarHBondContact CA-O 3.48Å; I72-A88 HydrophobicContact CD1-CB 4.22Å; I72-A88 HydrophobicContact CG1-CB 3.88Å; I72-A88 PolarHBondContact N-O 2.97Å; I72-A88 PolarHBondContact O-N 2.99Å; I72-A88 VanDerWaalsContact O-N 3.07Å; I74-A88 HydrophobicContact CD1-CB 3.54Å; I74-A88 HydrophobicContact CG1-CB 4.46Å |
| 89 | L | 95 | Very high | 86.9 | Confident | 28 Ų | 28 | 68.3 Ų | 68.3 | 15% | 0.147 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 140 | 169.3 | -71.8 | 170.9 | 0 | 0 | 0 | 109.6 | A23 I26 Q27 C70 F71 F97 | A23-L89 HydrophobicContact CB-CD1 4.21Å; A23-L89 HydrophobicContact CB-CD2 4.05Å; I26-L89 HydrophobicContact CB-CG 4.44Å; I26-L89 HydrophobicContact CD1-CG 4.34Å; I26-L89 HydrophobicContact CG2-CD1 4.36Å; I26-L89 HydrophobicContact CG2-CG 4.1Å; Q27-L89 HydrophobicContact CG-CD1 3.94Å; C70-L89 CarbonylContact O-C 3.55Å; C70-L89 WeakPolarHBondContact O-CA 3.25Å; F71-L89 HydrophobicContact CD1-CD2 3.93Å; F71-L89 HydrophobicContact CE1-CD2 3.53Å; F71-L89 HydrophobicContact CZ-CD2 4.49Å; L89-F97 HydrophobicContact CD2-CE2 4.39Å |
| 90 | H | 93.4 | Very high | 85.8 | Confident | 29 Ų | 29 | 66.3 Ų | 66.3 | 13% | 0.134 | 39% | 0.386 | C | S | . | . | trans | -62.6 | 138.2 | 169.3 | -166.5 | -77.2 | 0 | 0 | 0 | 109.6 | C70 I72 D92 C93 G94 | C70-H90 PolarHBondContact O-N 3.09Å; I72-H90 HydrophobicContact CG2-CB 4.28Å; H90-D92 VanDerWaalsContact C-N 3.34Å; H90-D92 IonicContact CE1-OD1 3.76Å; H90-D92 IonicContact CE1-OD2 3.2Å; H90-D92 PolarHBondContact CE1-OD2 3.02Å; H90-D92 WeakPolarHBondContact ND1-CB 3.48Å; H90-D92 PolarHBondContact ND1-N 3.39Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.9Å; H90-D92 IonicContact ND1-OD2 3.66Å; H90-D92 PolarHBondContact O-N 3.42Å; H90-C93 HydrophobicContact CB-CB 4.29Å; H90-C93 PolarHBondContact N-SG 3Å; H90-C93 VanDerWaalsContact N-SG 3.44Å; H90-C93 WeakPolarHBondContact O-CA 3.16Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 2.88Å; H90-G94 PolarHBondContact O-N 3.49Å | ||
| 91 | P | 89.7 | Confident | 85.4 | Confident | 94 Ų | 94 | 64.2 Ų | 64.2 | 61% | 0.61 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -54 | -47.3 | -179.8 | 18.8 | -32.1 | 0 | 0 | 0 | 112.5 | C93 G94 | P91-C93 PolarHBondContact O-N 3.36Å; P91-G94 PolarHBondContact O-N 3.33Å |
| 92 | D | 86.3 | Confident | 85 | Confident | 100 Ų | 100 | 60 Ų | 60 | 54% | 0.535 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.1 | -11.2 | 177 | -51.6 | -5.9 | 0 | 0 | 0 | 114.8 | H90 F109 | H90-D92 VanDerWaalsContact C-N 3.34Å; H90-D92 IonicContact CE1-OD1 3.76Å; H90-D92 IonicContact CE1-OD2 3.2Å; H90-D92 PolarHBondContact CE1-OD2 3.02Å; H90-D92 WeakPolarHBondContact ND1-CB 3.48Å; H90-D92 PolarHBondContact ND1-N 3.39Å; H90-D92 VanDerWaalsContact ND1-N 3.19Å; H90-D92 IonicContact ND1-OD1 3.9Å; H90-D92 IonicContact ND1-OD2 3.66Å; H90-D92 PolarHBondContact O-N 3.42Å; D92-F109 HydrophobicContact CB-CE2 3.96Å; D92-F109 HydrophobicContact CB-CZ 3.95Å |
| 93 | C | 83.6 | Confident | 84.3 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -103.6 | -6.1 | 177.3 | 91.6 | 0 | 0 | 0 | 0 | 114.1 | C70 H90 P91 M96 F97 F109 | C70-C93 HydrophobicContact CB-CB 4.29Å; C70-C93 PolarHBondContact O-SG 2.88Å; H90-C93 HydrophobicContact CB-CB 4.29Å; H90-C93 PolarHBondContact N-SG 3Å; H90-C93 VanDerWaalsContact N-SG 3.44Å; H90-C93 WeakPolarHBondContact O-CA 3.16Å; H90-C93 PolarHBondContact O-N 3.09Å; H90-C93 PolarHBondContact O-SG 2.88Å; P91-C93 PolarHBondContact O-N 3.36Å; C93-M96 HydrophobicContact CB-CE 3.33Å; C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.14Å; C93-F97 WeakPolarHBondContact O-CD2 3.07Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.22Å; C93-F109 HydrophobicContact CB-CE1 4.15Å; C93-F109 HydrophobicContact CB-CE2 4.08Å; C93-F109 HydrophobicContact CB-CG 4.29Å; C93-F109 HydrophobicContact CB-CZ 4.05Å |
| 94 | G | 74.7 | Confident | 83 | Confident | 20 Ų | 20 | 64 Ų | 64 | 21% | 0.206 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -59.3 | -50.8 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113 | H90 P91 M96 F97 E98 | H90-G94 PolarHBondContact O-N 3.49Å; P91-G94 PolarHBondContact O-N 3.33Å; G94-M96 PolarHBondContact O-N 3.48Å; G94-F97 PolarHBondContact O-N 3.48Å; G94-E98 PolarHBondContact O-N 3.33Å |
| 95 | D | 78.5 | Confident | 82 | Confident | 117 Ų | 117 | 66.3 Ų | 66.3 | 63% | 0.626 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.9 | -25.4 | -177.1 | -56.3 | -0.8 | 0 | 0 | 0 | 112.9 | F97 | D95-F97 PolarHBondContact O-N 3.04Å |
| 96 | M | 75.9 | Confident | 80.5 | Confident | 44 Ų | 44 | 77.6 Ų | 77.6 | 22% | 0.217 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -67.6 | -18.5 | 178.8 | -77.7 | -173.8 | -83.6 | 0 | 0 | 113.7 | C93 G94 R105 F109 | C93-M96 HydrophobicContact CB-CE 3.33Å; C93-M96 WeakPolarHBondContact O-CB 3.43Å; C93-M96 PolarHBondContact O-N 3.14Å; G94-M96 PolarHBondContact O-N 3.48Å; M96-R105 PolarHBondContact O-NH2 2.9Å; M96-R105 PolarHBondContact SD-NH1 2.77Å; M96-F109 HydrophobicContact CE-CB 3.7Å; M96-F109 HydrophobicContact CE-CD2 3.22Å; M96-F109 HydrophobicContact CE-CE2 3.96Å; M96-F109 HydrophobicContact CE-CG 3.61Å; M96-F109 HydrophobicContact SD-CB 4.17Å; M96-F109 HydrophobicContact SD-CD2 4.36Å |
| 97 | F | 75.5 | Confident | 79.4 | Confident | 7 Ų | 7 | 84.6 Ų | 84.6 | 3% | 0.031 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -119.6 | -13.2 | -175.7 | -59.8 | -73.5 | 0 | 0 | 0 | 113 | I19 A23 Q27 L89 C93 G94 D95 N99 G100 F102 | I19-F97 HydrophobicContact CG2-CZ 3.85Å; A23-F97 HydrophobicContact CB-CD1 3.82Å; A23-F97 HydrophobicContact CB-CD2 3.99Å; A23-F97 HydrophobicContact CB-CE1 3.91Å; A23-F97 HydrophobicContact CB-CE2 4.08Å; A23-F97 HydrophobicContact CB-CG 3.86Å; A23-F97 HydrophobicContact CB-CZ 4.04Å; Q27-F97 VanDerWaalsContact NE2-CB 3.27Å; L89-F97 HydrophobicContact CD2-CE2 4.39Å; C93-F97 WeakPolarHBondContact O-CD2 3.07Å; G94-F97 PolarHBondContact O-N 3.48Å; D95-F97 PolarHBondContact O-N 3.04Å; F97-N99 PolarHBondContact O-N 3.24Å; F97-G100 PolarHBondContact O-N 2.83Å; F97-F102 HydrophobicContact CB-CE1 3.97Å; F97-F102 AromaticContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CE1 4.1Å; F97-F102 HydrophobicContact CG-CE1 4.45Å |
| 98 | E | 72.6 | Confident | 78.4 | Confident | 143 Ų | 143 | 91 Ų | 91 | 67% | 0.668 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -66.2 | -37.3 | -176.9 | -166.3 | 168.5 | -171.2 | 0 | 0 | 112.8 | G94 G100 | G94-E98 PolarHBondContact O-N 3.33Å; E98-G100 PolarHBondContact O-N 3.37Å; E98-G100 VanDerWaalsContact O-N 3.08Å |
| 99 | N | 70.9 | Confident | 77.5 | Confident | 148 Ų | 148 | 92.7 Ų | 92.7 | 79% | 0.791 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.9 | 17.5 | 178.3 | -62.5 | -28.1 | 0 | 0 | 0 | 114.1 | F97 S101 | F97-N99 PolarHBondContact O-N 3.24Å; N99-S101 VanDerWaalsContact C-N 3.25Å; N99-S101 PolarHBondContact O-N 3.04Å |
| 100 | G | 68.3 | Low | 76.8 | Confident | 47 Ų | 47 | 98.8 Ų | 98.8 | 49% | 0.485 | 47% | 0.471 | S | S | . | . | S | Bend | trans | 73.6 | 7.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.6 | F97 E98 F102 | F97-G100 PolarHBondContact O-N 2.83Å; E98-G100 PolarHBondContact O-N 3.37Å; E98-G100 VanDerWaalsContact O-N 3.08Å; G100-F102 VanDerWaalsContact C-N 3.33Å; G100-F102 WeakPolarHBondContact O-CD2 3.43Å; G100-F102 PolarHBondContact O-N 3.44Å |
| 101 | S | 77.5 | Confident | 76.1 | Confident | 59 Ų | 59 | 100.9 Ų | 100.9 | 41% | 0.413 | 48% | 0.483 | S | S | . | . | trans | -79.3 | 77.3 | 177.8 | -165.5 | 0 | 0 | 0 | 0 | 111.6 | N99 L103 | N99-S101 VanDerWaalsContact C-N 3.25Å; N99-S101 PolarHBondContact O-N 3.04Å; S101-L103 VanDerWaalsContact C-N 3.34Å | ||
| 102 | F | 78.4 | Confident | 75.4 | Confident | 37 Ų | 37 | 102 Ų | 102 | 16% | 0.162 | 48% | 0.484 | C | S | . | . | trans | -88.1 | -2.7 | 175.2 | -61.8 | -70.8 | 0 | 0 | 0 | 113.5 | Y16 S20 M24 Q27 F97 G100 | Y16-F102 HydrophobicContact CD1-CB 3.86Å; Y16-F102 HydrophobicContact CE1-CB 3.77Å; S20-F102 WeakPolarHBondContact CB-O 3.46Å; S20-F102 PolarHBondContact OG-O 3.12Å; M24-F102 HydrophobicContact CG-CD1 3.44Å; M24-F102 VanDerWaalsContact CG-CD1 3.44Å; M24-F102 HydrophobicContact CG-CD2 4.23Å; M24-F102 HydrophobicContact CG-CE1 3.43Å; M24-F102 VanDerWaalsContact CG-CE1 3.43Å; M24-F102 HydrophobicContact CG-CE2 4.22Å; M24-F102 HydrophobicContact CG-CG 3.86Å; M24-F102 HydrophobicContact CG-CZ 3.85Å; M24-F102 HydrophobicContact SD-CB 4.4Å; M24-F102 HydrophobicContact SD-CD1 4.19Å; M24-F102 HydrophobicContact SD-CD2 4.22Å; M24-F102 HydrophobicContact SD-CG 4Å; Q27-F102 VanDerWaalsContact OE1-CE1 3.26Å; Q27-F102 VanDerWaalsContact OE1-CZ 3.26Å; F97-F102 HydrophobicContact CB-CE1 3.97Å; F97-F102 AromaticContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CD1 3.94Å; F97-F102 HydrophobicContact CD1-CE1 4.1Å; F97-F102 HydrophobicContact CG-CE1 4.45Å; G100-F102 VanDerWaalsContact C-N 3.33Å; G100-F102 WeakPolarHBondContact O-CD2 3.43Å; G100-F102 PolarHBondContact O-N 3.44Å | ||
| 103 | L | 76.6 | Confident | 74.5 | Confident | 111 Ų | 111 | 105 Ų | 105 | 58% | 0.581 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -70.7 | 155.5 | 178.7 | -64.5 | 178.2 | 0 | 0 | 0 | 111.8 | S101 R105 | S101-L103 VanDerWaalsContact C-N 3.34Å; L103-R105 PolarHBondContact O-N 3.19Å; L103-R105 VanDerWaalsContact O-N 3.09Å |
| 104 | R | 65.3 | Low | 73.5 | Confident | 221 Ų | 221 | 108.7 Ų | 108.7 | 83% | 0.834 | 52% | 0.517 | S | S | * | . | trans | -61.1 | 113.1 | -177.3 | -177.9 | 177.1 | 163.6 | -137.9 | -2 | 111.1 | ||||
| 105 | R | 71.4 | Confident | 72.5 | Confident | 101 Ų | 101 | 113.8 Ų | 113.8 | 38% | 0.381 | 54% | 0.536 | S | S | . | . | trans | -80.2 | 148 | 176.9 | -166.4 | 176.5 | -69.4 | 114.7 | 4.8 | 112 | M96 L103 K107 | M96-R105 PolarHBondContact O-NH2 2.9Å; M96-R105 PolarHBondContact SD-NH1 2.77Å; L103-R105 PolarHBondContact O-N 3.19Å; L103-R105 VanDerWaalsContact O-N 3.09Å; R105-K107 WeakPolarHBondContact CD-O 3.35Å | ||
| 106 | R | 65.6 | Low | 71.3 | Confident | 262 Ų | 262 | 114 Ų | 114 | 99% | 0.989 | 53% | 0.533 | S | S | * | . | S | Bend | trans | -75 | -33.4 | 175 | -65.9 | -169.6 | -148.7 | 139.4 | 5 | 113.7 | ||
| 107 | K | 74.3 | Confident | 70.1 | Confident | 175 Ų | 175 | 117 Ų | 117 | 76% | 0.761 | 55% | 0.548 | S | S | * | . | S | Bend | trans | -101.1 | 126.7 | 179.7 | -168 | 177.7 | -179.1 | -176.4 | 0 | 110.3 | R105 | R105-K107 WeakPolarHBondContact CD-O 3.35Š|
| 108 | R | 76 | Confident | 69 | Low | 160 Ų | 160 | 120.4 Ų | 120.4 | 60% | 0.604 | 58% | 0.577 | S | S | * | * | P | Polyproline II helix | trans | -81.1 | 141.7 | 175.7 | -68.9 | -174.7 | 178.1 | -132.5 | 8.3 | 110.6 | ||
| 109 | F | 78.5 | Confident | 67.7 | Low | 43 Ų | 43 | 119 Ų | 119 | 19% | 0.189 | 58% | 0.582 | C | S | . | * | P | Polyproline II helix | trans | -65.2 | 139.3 | 165.1 | 178.9 | -103.7 | 0 | 0 | 0 | 109.4 | D69 C70 D92 C93 M96 L111 | D69-F109 HydrophobicContact CB-CD1 4.05Å; D69-F109 HydrophobicContact CB-CE1 3.87Å; C70-F109 HydrophobicContact CB-CD1 4.41Å; C70-F109 VanDerWaalsContact SG-CB 3.53Å; C70-F109 WeakPolarHBondContact SG-CD1 3.42Å; D92-F109 HydrophobicContact CB-CE2 3.96Å; D92-F109 HydrophobicContact CB-CZ 3.95Å; C93-F109 HydrophobicContact CB-CD1 4.26Å; C93-F109 HydrophobicContact CB-CD2 4.22Å; C93-F109 HydrophobicContact CB-CE1 4.15Å; C93-F109 HydrophobicContact CB-CE2 4.08Å; C93-F109 HydrophobicContact CB-CG 4.29Å; C93-F109 HydrophobicContact CB-CZ 4.05Å; M96-F109 HydrophobicContact CE-CB 3.7Å; M96-F109 HydrophobicContact CE-CD2 3.22Å; M96-F109 HydrophobicContact CE-CE2 3.96Å; M96-F109 HydrophobicContact CE-CG 3.61Å; M96-F109 HydrophobicContact SD-CB 4.17Å; M96-F109 HydrophobicContact SD-CD2 4.36Å; F109-L111 HydrophobicContact CE1-CB 4.43Å |
| 110 | K | 79.6 | Confident | 66.6 | Low | 157 Ų | 157 | 120.2 Ų | 120.2 | 68% | 0.683 | 58% | 0.58 | S | S | * | * | trans | -141.5 | 124.7 | 171.4 | -67.7 | -169.7 | 176.7 | -173.5 | 0 | 106 | L112 | K110-L112 PolarHBondContact O-N 2.94Š| ||
| 111 | L | 79.6 | Confident | 65.3 | Low | 73 Ų | 73 | 122.9 Ų | 122.9 | 38% | 0.382 | 59% | 0.591 | S | S | . | * | trans | -67.1 | 121.5 | 171.9 | -175.2 | 63.3 | 0 | 0 | 0 | 107 | D69 F109 R113 | D69-L111 HydrophobicContact CB-CB 3.96Å; D69-L111 PolarHBondContact OD2-N 3.25Å; F109-L111 HydrophobicContact CE1-CB 4.43Å; L111-R113 PolarHBondContact O-N 3.06Å | ||
| 112 | L | 74.8 | Confident | 63.8 | Low | 118 Ų | 118 | 125.1 Ų | 125.1 | 62% | 0.618 | 61% | 0.606 | S | S | * | * | trans | -73.1 | 87.4 | 176.2 | -67.8 | 176.4 | 0 | 0 | 0 | 107.8 | K110 A114 M117 | K110-L112 PolarHBondContact O-N 2.94Å; L112-A114 PolarHBondContact O-N 3.22Å; L112-M117 HydrophobicContact CB-CE 3.72Å; L112-M117 HydrophobicContact CD1-CE 3.97Å; L112-M117 HydrophobicContact CD2-CE 4.33Å; L112-M117 HydrophobicContact CG-CE 4.21Å | ||
| 113 | R | 67.8 | Low | 62.4 | Low | 163 Ų | 163 | 128.5 Ų | 128.5 | 62% | 0.615 | 63% | 0.632 | S | S | * | * | trans | -56.4 | 132.3 | 172.4 | -150.8 | 166.1 | 94.3 | 117.5 | 2.4 | 107.9 | L111 E115 H116 | L111-R113 PolarHBondContact O-N 3.06Å; R113-E115 HydrophobicContact CG-CG 4.07Å; R113-E115 IonicContact NH2-OE2 3.97Å; R113-E115 PolarHBondContact O-N 3.23Å; R113-H116 PolarHBondContact O-N 3.5Å | ||
| 114 | A | 61 | Low | 61.2 | Low | 76 Ų | 76 | 132.2 Ų | 132.2 | 63% | 0.628 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -50.1 | -29 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | L112 H116 M117 | L112-A114 PolarHBondContact O-N 3.22Å; A114-H116 PolarHBondContact O-N 3.35Å; A114-M117 VanDerWaalsContact O-CB 3.31Å; A114-M117 WeakPolarHBondContact O-CB 3.37Å; A114-M117 WeakPolarHBondContact O-CG 3.31Å; A114-M117 PolarHBondContact O-N 2.86Å |
| 115 | E | 54.8 | Low | 60.5 | Low | 127 Ų | 127 | 129.3 Ų | 129.3 | 59% | 0.593 | 65% | 0.647 | S | S | * | * | G | 310 helix | trans | -54.4 | -31.4 | 172.1 | -46.6 | -80.3 | 144.4 | 0 | 0 | 114.5 | R113 | R113-E115 HydrophobicContact CG-CG 4.07Å; R113-E115 IonicContact NH2-OE2 3.97Å; R113-E115 PolarHBondContact O-N 3.23Å |
| 116 | H | 53 | Low | 59.4 | Low | 123 Ų | 123 | 133.1 Ų | 133.1 | 57% | 0.569 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -83.8 | -10.1 | 179.1 | -81.4 | 97 | 0 | 0 | 0 | 113.7 | R113 A114 | R113-H116 PolarHBondContact O-N 3.5Å; A114-H116 PolarHBondContact O-N 3.35Å |
| 117 | M | 51.2 | Low | 58.5 | Low | 107 Ų | 107 | 130.7 Ų | 130.7 | 53% | 0.527 | 66% | 0.661 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -74.6 | -31.7 | 171.9 | -49.1 | -79.6 | 98.8 | 0 | 0 | 110.4 | L112 A114 C119 | L112-M117 HydrophobicContact CB-CE 3.72Å; L112-M117 HydrophobicContact CD1-CE 3.97Å; L112-M117 HydrophobicContact CD2-CE 4.33Å; L112-M117 HydrophobicContact CG-CE 4.21Å; A114-M117 VanDerWaalsContact O-CB 3.31Å; A114-M117 WeakPolarHBondContact O-CB 3.37Å; A114-M117 WeakPolarHBondContact O-CG 3.31Å; A114-M117 PolarHBondContact O-N 2.86Å; M117-C119 VanDerWaalsContact C-N 3.34Å; M117-C119 PolarHBondContact O-N 3.4Å |
| 118 | A | 51.9 | Low | 57.2 | Low | 78 Ų | 78 | 131.2 Ų | 131.2 | 65% | 0.645 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | -19.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 119 | C | 45.6 | Very low | 55.7 | Low | 113 Ų | 113 | 131.3 Ų | 131.3 | 76% | 0.764 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.7 | 4.8 | -176.6 | -164.3 | 0 | 0 | 0 | 0 | 114.2 | M117 | M117-C119 VanDerWaalsContact C-N 3.34Å; M117-C119 PolarHBondContact O-N 3.4Å |
| 120 | K | 47.4 | Very low | 53.8 | Low | 174 Ų | 174 | 137.8 Ų | 137.8 | 76% | 0.757 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -108.6 | -3 | 177.6 | -70.8 | -173.3 | -179.9 | 179.8 | 0 | 114.6 | S122 | K120-S122 VanDerWaalsContact C-N 3.25Å; K120-S122 PolarHBondContact O-N 2.82Å; K120-S122 VanDerWaalsContact O-N 3.15Å |
| 121 | S | 41.4 | Very low | 52 | Low | 102 Ų | 102 | 139.5 Ų | 139.5 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | trans | -85.2 | 67.8 | 166 | 61.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 122 | S | 45 | Very low | 49.9 | Very low | 106 Ų | 106 | 139.3 Ų | 139.3 | 74% | 0.741 | 73% | 0.727 | S | S | * | * | trans | -115.9 | 119.3 | 154.7 | -160 | 0 | 0 | 0 | 0 | 107.3 | K120 M124 | K120-S122 VanDerWaalsContact C-N 3.25Å; K120-S122 PolarHBondContact O-N 2.82Å; K120-S122 VanDerWaalsContact O-N 3.15Å; S122-M124 PolarHBondContact O-N 3.15Å | ||
| 123 | P | 49 | Very low | 48.1 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 70% | 0.701 | 74% | 0.739 | S | S | * | * | trans | -70.6 | 126.9 | -168.9 | 4.3 | 6.4 | 0 | 0 | 0 | 110.7 | M125 | P123-M125 HydrophobicContact CB-CB 4.45Å; P123-M125 PolarHBondContact O-N 3.31Å | ||
| 124 | M | 53 | Low | 46.7 | Very low | 190 Ų | 190 | 142.5 Ų | 142.5 | 94% | 0.936 | 75% | 0.747 | S | S | * | * | trans | -65.4 | 73.7 | 157.2 | -174.9 | 86.1 | 178.1 | 0 | 0 | 108.7 | S122 | S122-M124 PolarHBondContact O-N 3.15Š| ||
| 125 | M | 50.4 | Low | 45.3 | Very low | 160 Ų | 160 | 144.7 Ų | 144.7 | 79% | 0.788 | 76% | 0.758 | S | S | * | * | trans | -144 | 78.5 | 171.8 | -78.4 | -62.9 | -92.4 | 0 | 0 | 109.6 | P123 | P123-M125 HydrophobicContact CB-CB 4.45Å; P123-M125 PolarHBondContact O-N 3.31Å | ||
| 126 | H | 47 | Very low | 44.1 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | -147.6 | 52.7 | 157.2 | -145.2 | -82.8 | 0 | 0 | 0 | 111.3 | ||||
| 127 | Y | 46.5 | Very low | 43.1 | Very low | 210 Ų | 210 | 139.7 Ų | 139.7 | 82% | 0.824 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -116.2 | 127.3 | 159.6 | -125.9 | -90.4 | 0 | 0 | 0 | 106.8 | ||
| 128 | F | 48.6 | Very low | 42.4 | Very low | 187 Ų | 187 | 143.3 Ų | 143.3 | 82% | 0.82 | 79% | 0.789 | S | S | * | * | trans | 82.3 | 80.5 | -179.1 | -60.5 | -84.6 | 0 | 0 | 0 | 118 | ||||
| 129 | H | 43.2 | Very low | 41.7 | Very low | 161 Ų | 161 | 149 Ų | 149 | 75% | 0.745 | 80% | 0.801 | S | S | * | * | -168.3 | 108.3 | 127.2 | -139.3 | 58.1 | 0 | 0 | 0 | 111.7 | |||||
| 130 | H | 39.2 | Very low | 40.9 | Very low | 180 Ų | 180 | 151.2 Ų | 151.2 | 83% | 0.833 | 80% | 0.801 | S | S | * | * | trans | -178 | 93.6 | 131.4 | -107.8 | -78 | 0 | 0 | 0 | 109.1 | ||||
| 131 | Q | 41.1 | Very low | 40.5 | Very low | 192 Ų | 192 | 150.5 Ų | 150.5 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -92.1 | 139.1 | 152.9 | -66.5 | -174.7 | 26.6 | 0 | 0 | 107.7 | ||||
| 132 | G | 35.5 | Very low | 41.1 | Very low | 70 Ų | 70 | 151.3 Ų | 151.3 | 72% | 0.722 | 80% | 0.802 | S | S | * | * | trans | 147.6 | 107.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 133 | K | 38.5 | Very low | 40.6 | Very low | 197 Ų | 197 | 149.7 Ų | 149.7 | 86% | 0.857 | 80% | 0.803 | S | S | * | * | trans | 73.5 | 134.3 | 133.9 | -101.7 | 175 | 175.7 | 173.9 | 0 | 117.1 | ||||
| 134 | L | 36.7 | Very low | 40.8 | Very low | 151 Ų | 151 | 150.8 Ų | 150.8 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | cis | -165.5 | 151.9 | 32.1 | -89.3 | 157.2 | 0 | 0 | 0 | 112.8 | ||||
| 135 | S | 32.2 | Very low | 39.9 | Very low | 122 Ų | 122 | 146.2 Ų | 146.2 | 85% | 0.853 | 80% | 0.802 | S | S | * | * | trans | 80.9 | 124.4 | 133.7 | -164.1 | 0 | 0 | 0 | 0 | 124.7 | ||||
| 136 | G | 30.3 | Very low | 39.1 | Very low | 80 Ų | 80 | 143.2 Ų | 143.2 | 83% | 0.825 | 80% | 0.803 | S | S | * | * | trans | 101.2 | 127.3 | 139.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 137 | G | 31.8 | Very low | 38.6 | Very low | 64 Ų | 64 | 138.9 Ų | 138.9 | 66% | 0.66 | 80% | 0.798 | S | S | * | * | cis | 176 | 157.6 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 138 | H | 36.4 | Very low | 38.2 | Very low | 184 Ų | 184 | 135.8 Ų | 135.8 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | 51.4 | 113.3 | 151.5 | -58.2 | -98.1 | 0 | 0 | 0 | 123 | ||||
| 139 | H | 36.7 | Very low | 37.6 | Very low | 196 Ų | 196 | 130.5 Ų | 130.5 | 91% | 0.907 | 80% | 0.799 | S | S | * | * | -176.1 | 146.9 | 107.3 | -111.9 | -57.3 | 0 | 0 | 0 | 112.6 | |||||
| 140 | E | 29.7 | Very low | 37.1 | Very low | 161 Ų | 161 | 134.9 Ų | 134.9 | 75% | 0.752 | 81% | 0.809 | S | S | * | * | trans | -97.5 | 151.1 | -167.6 | -64.2 | -158.5 | 119.2 | 0 | 0 | 117.2 | ||||
| 141 | H | 38.8 | Very low | 37.3 | Very low | 158 Ų | 158 | 134 Ų | 134 | 73% | 0.731 | 81% | 0.81 | S | S | * | * | trans | 70.7 | 160.6 | 140.1 | -84.2 | -58.4 | 0 | 0 | 0 | 123.1 | ||||
| 142 | P | 53 | Low | 37.4 | Very low | 119 Ų | 119 | 130.8 Ų | 130.8 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -134.9 | 170.2 | -49.2 | 29.2 | -9.2 | 0 | 0 | 0 | 115.7 | ||||
| 143 | G | 35.8 | Very low | 37.2 | Very low | 73 Ų | 73 | 136.1 Ų | 136.1 | 75% | 0.753 | 81% | 0.811 | S | S | * | * | trans | 122.6 | 149.8 | 142.4 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 144 | P | 52.5 | Low | 37 | Very low | 130 Ų | 130 | 134.9 Ų | 134.9 | 84% | 0.844 | 81% | 0.806 | S | S | * | * | trans | -118.7 | 167.2 | -135.7 | 39.7 | -27.5 | 0 | 0 | 0 | 115.8 | ||||
| 145 | A | 33.4 | Very low | 36.9 | Very low | 95 Ų | 95 | 135.4 Ų | 135.4 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | 159.6 | 138.4 | 123.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 146 | A | 33.4 | Very low | 37.2 | Very low | 97 Ų | 97 | 134 Ų | 134 | 80% | 0.802 | 80% | 0.795 | S | S | * | * | trans | 80.2 | 126.5 | 138.5 | 0 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 147 | A | 37.9 | Very low | 37.2 | Very low | 89 Ų | 89 | 141.3 Ų | 141.3 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | 108 | 93.3 | 127.9 | 0 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 148 | V | 37.8 | Very low | 37.4 | Very low | 146 Ų | 146 | 141.8 Ų | 141.8 | 89% | 0.885 | 80% | 0.804 | S | S | * | * | 20.2 | 112.5 | 128.9 | -76.4 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 149 | G | 36 | Very low | 37.1 | Very low | 76 Ų | 76 | 138.1 Ų | 138.1 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | 46.7 | 119.9 | 124.4 | 0 | 0 | 0 | 0 | 0 | 121.6 | |||||
| 150 | R | 33.2 | Very low | 37 | Very low | 253 Ų | 253 | 135.7 Ų | 135.7 | 96% | 0.955 | 79% | 0.791 | S | S | * | * | -168.8 | 145.3 | 123.1 | -109.1 | -159.6 | -169.4 | -126.5 | 6.3 | 112.9 | |||||
| 151 | L | 42.2 | Very low | 37.2 | Very low | 162 Ų | 162 | 134.8 Ų | 134.8 | 85% | 0.848 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 144.4 | 172.8 | -164 | 75.1 | 0 | 0 | 0 | 111.9 | ||
| 152 | P | 43.3 | Very low | 36.8 | Very low | 123 Ų | 123 | 133.3 Ų | 133.3 | 80% | 0.799 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -92.8 | 141.2 | 171.5 | 26.4 | -14.4 | 0 | 0 | 0 | 113.3 | ||
| 153 | H | 31.2 | Very low | 35.8 | Very low | 183 Ų | 183 | 130.9 Ų | 130.9 | 85% | 0.847 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 153.8 | -179 | 176.6 | 85.9 | 0 | 0 | 0 | 110.9 | ||
| 154 | F | 34.8 | Very low | 36 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 75% | 0.746 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -89.9 | 142.7 | -178.8 | -175.3 | -97.4 | 0 | 0 | 0 | 112 | ||
| 155 | Q | 35.2 | Very low | 35.2 | Very low | 163 Ų | 163 | 135.9 Ų | 135.9 | 76% | 0.762 | 80% | 0.8 | S | S | * | * | trans | 142.3 | 111.5 | 152.3 | -80.2 | 177.9 | 7.1 | 0 | 0 | 109.2 | ||||
| 156 | S | 37.1 | Very low | 36.1 | Very low | 92 Ų | 92 | 135.6 Ų | 135.6 | 64% | 0.643 | 81% | 0.806 | S | S | * | * | 62.8 | 104.1 | 76.6 | -170.5 | 0 | 0 | 0 | 0 | 114.1 | |||||
| 157 | Y | 30.8 | Very low | 36.3 | Very low | 233 Ų | 233 | 133.8 Ų | 133.8 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | -175 | 148.7 | 119.4 | -109.3 | -89.2 | 0 | 0 | 0 | 108.5 | |||||
| 158 | G | 35.5 | Very low | 37.1 | Very low | 75 Ų | 75 | 139.1 Ų | 139.1 | 77% | 0.773 | 80% | 0.804 | S | S | * | * | trans | -79.5 | -178.5 | -157 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 159 | S | 31 | Very low | 38 | Very low | 107 Ų | 107 | 140 Ų | 140 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | 122.8 | 108.9 | 149.6 | -127.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 160 | I | 33.9 | Very low | 39.2 | Very low | 144 Ų | 144 | 142.1 Ų | 142.1 | 74% | 0.738 | 79% | 0.785 | S | S | * | * | trans | 76.2 | 117.7 | 137.6 | -58.1 | 163.2 | 0 | 0 | 0 | 120.1 | ||||
| 161 | N | 33.2 | Very low | 40.8 | Very low | 142 Ų | 142 | 134.3 Ų | 134.3 | 76% | 0.759 | 77% | 0.767 | S | S | * | * | trans | 83.6 | 127.9 | 147.2 | -90.2 | 15.2 | 0 | 0 | 0 | 123.2 | ||||
| 162 | C | 31.5 | Very low | 41.6 | Very low | 127 Ų | 127 | 134.2 Ų | 134.2 | 86% | 0.858 | 76% | 0.76 | S | S | * | * | trans | 77.4 | 121.1 | 142.1 | 77.9 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 163 | G | 33 | Very low | 43.1 | Very low | 69 Ų | 69 | 130 Ų | 130 | 71% | 0.711 | 74% | 0.736 | S | S | * | * | trans | 131 | 85 | 154.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 164 | Q | 38.1 | Very low | 44.4 | Very low | 189 Ų | 189 | 127.3 Ų | 127.3 | 88% | 0.883 | 73% | 0.727 | S | S | * | * | trans | 68.2 | 133.9 | 146 | -51.2 | -172.9 | 13.6 | 0 | 0 | 120.3 | ||||
| 165 | S | 35.7 | Very low | 45.9 | Very low | 118 Ų | 118 | 127.1 Ų | 127.1 | 83% | 0.825 | 73% | 0.728 | S | S | * | * | 137.1 | 150.8 | 118 | 69.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 166 | G | 52.5 | Low | 47 | Very low | 89 Ų | 89 | 121.6 Ų | 121.6 | 92% | 0.918 | 70% | 0.704 | S | S | * | * | trans | -54.2 | 128.7 | -157.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 167 | G | 38.1 | Very low | 48.2 | Very low | 59 Ų | 59 | 122 Ų | 122 | 61% | 0.608 | 70% | 0.698 | S | S | * | * | trans | -113 | 128.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | K169 | G167-K169 PolarHBondContact O-N 2.85Å; G167-K169 VanDerWaalsContact O-N 3.15Å | ||
| 168 | F | 54.7 | Low | 49.7 | Very low | 201 Ų | 201 | 116.1 Ų | 116.1 | 88% | 0.882 | 68% | 0.681 | S | S | * | * | trans | -47.7 | 114.4 | 172.6 | -158 | -97.2 | 0 | 0 | 0 | 110.8 | H170 | F168-H170 PolarHBondContact O-N 3.36Š| ||
| 169 | K | 57 | Low | 50.5 | Low | 166 Ų | 166 | 113.8 Ų | 113.8 | 72% | 0.722 | 66% | 0.656 | S | S | * | * | trans | -83.1 | 99.1 | -173.5 | -67.9 | -167.7 | -177.6 | -167.7 | 0 | 110 | G167 | G167-K169 PolarHBondContact O-N 2.85Å; G167-K169 VanDerWaalsContact O-N 3.15Å | ||
| 170 | H | 60.5 | Low | 51.6 | Low | 119 Ų | 119 | 118.4 Ų | 118.4 | 55% | 0.551 | 66% | 0.658 | S | S | * | * | trans | -58.3 | 131.3 | 172.3 | -118.4 | -73.9 | 0 | 0 | 0 | 109.6 | F168 F172 A173 N176 | F168-H170 PolarHBondContact O-N 3.36Å; H170-F172 PolarHBondContact O-N 2.97Å; H170-A173 HydrophobicContact CB-CB 4.46Å; H170-A173 PolarHBondContact O-N 2.91Å; H170-A173 VanDerWaalsContact O-N 3.12Å; H170-N176 PolarHBondContact O-ND2 3.12Å | ||
| 171 | P | 67.2 | Low | 52.4 | Low | 89 Ų | 89 | 117.5 Ų | 117.5 | 58% | 0.578 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.9 | -5.2 | -178.4 | 21.6 | -30.8 | 0 | 0 | 0 | 114.1 | ||
| 172 | F | 59.4 | Low | 53 | Low | 160 Ų | 160 | 118.4 Ų | 118.4 | 70% | 0.702 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.3 | 8.4 | -178.5 | -40 | -65.1 | 0 | 0 | 0 | 113.5 | H170 | H170-F172 PolarHBondContact O-N 2.97Š|
| 173 | A | 74.2 | Confident | 53.6 | Low | 35 Ų | 35 | 120.1 Ų | 120.1 | 29% | 0.289 | 64% | 0.641 | S | S | . | * | trans | -68.2 | 136.8 | 174.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | H170 E175 N176 I177 | H170-A173 HydrophobicContact CB-CB 4.46Å; H170-A173 PolarHBondContact O-N 2.91Å; H170-A173 VanDerWaalsContact O-N 3.12Å; A173-E175 PolarHBondContact O-N 3.19Å; A173-E175 VanDerWaalsContact O-N 3.11Å; A173-N176 PolarHBondContact O-N 3.11Å; A173-I177 PolarHBondContact O-N 2.89Å | ||
| 174 | I | 58.5 | Low | 54.1 | Low | 127 Ų | 127 | 118.5 Ų | 118.5 | 65% | 0.651 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -54.5 | -34.9 | -176.9 | -66.5 | 166.7 | 0 | 0 | 0 | 111.2 | N176 I177 I178 | I174-N176 VanDerWaalsContact C-N 3.31Å; I174-N176 PolarHBondContact O-N 3.24Å; I174-I177 PolarHBondContact O-N 3.15Å; I174-I178 HydrophobicContact CG2-CD1 3.45Å; I174-I178 VanDerWaalsContact CG2-CD1 3.45Å; I174-I178 HydrophobicContact CG2-CG1 4.14Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 3.37Å |
| 175 | E | 67 | Low | 54.6 | Low | 166 Ų | 166 | 115 Ų | 115 | 78% | 0.776 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -63.5 | -32.3 | 177.1 | -53.7 | 179.2 | -148.2 | 0 | 0 | 113.3 | A173 G179 | A173-E175 PolarHBondContact O-N 3.19Å; A173-E175 VanDerWaalsContact O-N 3.11Å; E175-G179 WeakPolarHBondContact O-CA 3.32Å; E175-G179 PolarHBondContact O-N 3.46Å |
| 176 | N | 57.7 | Low | 55.3 | Low | 47 Ų | 47 | 118 Ų | 118 | 25% | 0.251 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -83.7 | -23.8 | 176.8 | -73 | -31.2 | 0 | 0 | 0 | 113 | H170 A173 I174 | H170-N176 PolarHBondContact O-ND2 3.12Å; A173-N176 PolarHBondContact O-N 3.11Å; I174-N176 VanDerWaalsContact C-N 3.31Å; I174-N176 PolarHBondContact O-N 3.24Å |
| 177 | I | 62 | Low | 55.2 | Low | 101 Ų | 101 | 119.4 Ų | 119.4 | 52% | 0.518 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -76.7 | -49.4 | 175.4 | -63.3 | 168.2 | 0 | 0 | 0 | 108.9 | A173 I174 G179 | A173-I177 PolarHBondContact O-N 2.89Å; I174-I177 PolarHBondContact O-N 3.15Å; I177-G179 VanDerWaalsContact C-N 3.3Å; I177-G179 PolarHBondContact O-N 2.97Å |
| 178 | I | 62 | Low | 55.8 | Low | 109 Ų | 109 | 120.7 Ų | 120.7 | 56% | 0.559 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.3 | -31 | 177.8 | -58.2 | 173.3 | 0 | 0 | 0 | 110.7 | I174 R180 D181 | I174-I178 HydrophobicContact CG2-CD1 3.45Å; I174-I178 VanDerWaalsContact CG2-CD1 3.45Å; I174-I178 HydrophobicContact CG2-CG1 4.14Å; I174-I178 WeakPolarHBondContact O-CG1 3.35Å; I174-I178 PolarHBondContact O-N 3.37Å; I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 2.94Å; I178-D181 PolarHBondContact O-N 3.22Å |
| 179 | G | 52.3 | Low | 55.8 | Low | 25 Ų | 25 | 114.3 Ų | 114.3 | 26% | 0.258 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -68.3 | -22 | -175.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | E175 I177 | E175-G179 WeakPolarHBondContact O-CA 3.32Å; E175-G179 PolarHBondContact O-N 3.46Å; I177-G179 VanDerWaalsContact C-N 3.3Å; I177-G179 PolarHBondContact O-N 2.97Å |
| 180 | R | 54.6 | Low | 56.1 | Low | 205 Ų | 205 | 112.9 Ų | 112.9 | 77% | 0.774 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -75.8 | -29.2 | 178.6 | -90.1 | -177.8 | 177.4 | 136.8 | -0.2 | 113 | I178 | I178-R180 VanDerWaalsContact C-N 3.33Å; I178-R180 PolarHBondContact O-N 2.94Å |
| 181 | D | 51.2 | Low | 55.9 | Low | 124 Ų | 124 | 112 Ų | 112 | 66% | 0.663 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -94.3 | -15 | -167.9 | -59.4 | -44.4 | 0 | 0 | 0 | 113.6 | I178 | I178-D181 PolarHBondContact O-N 3.22Å |
| 182 | Y | 45.1 | Very low | 55.2 | Low | 161 Ų | 161 | 113.7 Ų | 113.7 | 63% | 0.631 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -94 | -24.4 | 178.8 | 84.6 | -97.3 | 0 | 0 | 0 | 114.2 | ||
| 183 | K | 45.6 | Very low | 54.9 | Low | 163 Ų | 163 | 109.1 Ų | 109.1 | 71% | 0.709 | 59% | 0.593 | S | S | * | * | S | Bend | trans | -102.1 | 1.2 | -174.8 | -135.3 | -161.8 | -175.7 | -158.6 | 0 | 115.1 | ||
| 184 | G | 42.9 | Very low | 54 | Low | 36 Ų | 36 | 111.3 Ų | 111.3 | 37% | 0.371 | 61% | 0.607 | S | S | . | * | S | Bend | trans | -95.4 | -16.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | M186 | G184-M186 VanDerWaalsContact C-N 3.28Å; G184-M186 PolarHBondContact O-N 3.46Å |
| 185 | V | 47.6 | Very low | 54 | Low | 116 Ų | 116 | 109.3 Ų | 109.3 | 70% | 0.703 | 60% | 0.6 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 1.7 | -170.2 | 128.9 | 0 | 0 | 0 | 0 | 114.9 | ||
| 186 | M | 51.4 | Low | 53.6 | Low | 179 Ų | 179 | 105.8 Ų | 105.8 | 88% | 0.882 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.5 | -4 | 179.4 | -48.5 | -75 | -136.8 | 0 | 0 | 113.7 | G184 | G184-M186 VanDerWaalsContact C-N 3.28Å; G184-M186 PolarHBondContact O-N 3.46Å |
| 187 | T | 49.9 | Very low | 53.6 | Low | 120 Ų | 120 | 109.1 Ų | 109.1 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.7 | -4.7 | -169.9 | -169.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 188 | S | 49.9 | Very low | 53.4 | Low | 86 Ų | 86 | 112.4 Ų | 112.4 | 60% | 0.601 | 61% | 0.611 | S | S | * | * | trans | -163.5 | 88.8 | 168.3 | 56.4 | 0 | 0 | 0 | 0 | 109.3 | L190 | S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.49Å | ||
| 189 | G | 55.6 | Low | 53.3 | Low | 67 Ų | 67 | 113.2 Ų | 113.2 | 69% | 0.691 | 62% | 0.616 | S | S | * | * | trans | -71.1 | 80.5 | 180 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 190 | L | 63.6 | Low | 53.3 | Low | 136 Ų | 136 | 115.3 Ų | 115.3 | 71% | 0.712 | 64% | 0.638 | S | S | * | * | trans | -153.3 | 92.7 | 169.6 | -67.4 | 177.8 | 0 | 0 | 0 | 109.3 | S188 T193 | S188-L190 VanDerWaalsContact C-N 3.31Å; S188-L190 PolarHBondContact O-N 3.49Å; L190-T193 WeakPolarHBondContact CD2-OG1 3.49Å | ||
| 191 | P | 55.5 | Low | 53.3 | Low | 100 Ų | 100 | 113 Ų | 113 | 65% | 0.649 | 63% | 0.63 | S | S | * | * | S | Bend | -141.3 | -13.1 | 116.2 | 34.5 | -23.3 | 0 | 0 | 0 | 115 | V195 | P191-V195 WeakPolarHBondContact O-CG2 3.47Š| |
| 192 | I | 52.5 | Low | 53.3 | Low | 124 Ų | 124 | 113 Ų | 113 | 64% | 0.636 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -85 | -32 | -171.7 | -50.1 | 173.6 | 0 | 0 | 0 | 111.6 | S194 V195 M196 | I192-S194 PolarHBondContact O-N 3.48Å; I192-V195 PolarHBondContact O-N 3.29Å; I192-M196 WeakPolarHBondContact O-CG 3.43Å; I192-M196 PolarHBondContact O-N 3.39Å |
| 193 | T | 54.1 | Low | 53.9 | Low | 64 Ų | 64 | 108.7 Ų | 108.7 | 39% | 0.393 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65.6 | -36.8 | -177.9 | 62.9 | 0 | 0 | 0 | 0 | 112.7 | L190 V195 M196 H197 | L190-T193 WeakPolarHBondContact CD2-OG1 3.49Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 3.25Å; T193-M196 PolarHBondContact O-N 3.44Å; T193-H197 PolarHBondContact O-N 3.31Å |
| 194 | S | 55.2 | Low | 54.5 | Low | 82 Ų | 82 | 105.7 Ų | 105.7 | 57% | 0.573 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -66.8 | -34.2 | 178.2 | -178.1 | 0 | 0 | 0 | 0 | 112.4 | I192 | I192-S194 PolarHBondContact O-N 3.48Å |
| 195 | V | 57.3 | Low | 55.2 | Low | 85 Ų | 85 | 108.6 Ų | 108.6 | 52% | 0.515 | 65% | 0.645 | S | S | . | * | H | α-helix | trans | -74.2 | -34.6 | 178.2 | -170.4 | 0 | 0 | 0 | 0 | 111 | P191 I192 T193 H197 H198 L199 | P191-V195 WeakPolarHBondContact O-CG2 3.47Å; I192-V195 PolarHBondContact O-N 3.29Å; T193-V195 VanDerWaalsContact C-N 3.33Å; T193-V195 PolarHBondContact O-N 3.25Å; V195-H197 VanDerWaalsContact C-N 3.34Å; V195-H197 PolarHBondContact O-N 3.36Å; V195-H198 PolarHBondContact O-N 3.47Å; V195-L199 HydrophobicContact CG1-CD1 4.12Å; V195-L199 PolarHBondContact O-N 3.3Å |
| 196 | M | 59.7 | Low | 55.6 | Low | 91 Ų | 91 | 111.9 Ų | 111.9 | 45% | 0.448 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -65.5 | -34.3 | 177 | -69.6 | 177.9 | 70.5 | 0 | 0 | 112.9 | I192 T193 L199 Y201 | I192-M196 WeakPolarHBondContact O-CG 3.43Å; I192-M196 PolarHBondContact O-N 3.39Å; T193-M196 PolarHBondContact O-N 3.44Å; M196-L199 PolarHBondContact O-N 3.43Å; M196-Y201 PolarHBondContact O-N 3.33Å |
| 197 | H | 57.8 | Low | 55.7 | Low | 118 Ų | 118 | 108.2 Ų | 108.2 | 55% | 0.546 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -65.1 | -38.3 | 175.4 | -174 | -94.8 | 0 | 0 | 0 | 112.3 | T193 V195 L199 G200 | T193-H197 PolarHBondContact O-N 3.31Å; V195-H197 VanDerWaalsContact C-N 3.34Å; V195-H197 PolarHBondContact O-N 3.36Å; H197-L199 PolarHBondContact O-N 3.41Å; H197-G200 PolarHBondContact O-N 3.05Å |
| 198 | H | 56.8 | Low | 55.9 | Low | 170 Ų | 170 | 105.7 Ų | 105.7 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -73.8 | -13 | -178.8 | -123 | -64.6 | 0 | 0 | 0 | 114 | V195 | V195-H198 PolarHBondContact O-N 3.47Å |
| 199 | L | 60.6 | Low | 56.1 | Low | 125 Ų | 125 | 106 Ų | 106 | 65% | 0.654 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.3 | 5.9 | -178.6 | -70.3 | 165.4 | 0 | 0 | 0 | 113.4 | V195 M196 H197 Y201 | V195-L199 HydrophobicContact CG1-CD1 4.12Å; V195-L199 PolarHBondContact O-N 3.3Å; M196-L199 PolarHBondContact O-N 3.43Å; H197-L199 PolarHBondContact O-N 3.41Å; L199-Y201 HydrophobicContact CB-CD2 4.19Å; L199-Y201 HydrophobicContact CB-CE2 4.43Å |
| 200 | G | 52.7 | Low | 56.2 | Low | 70 Ų | 70 | 107.6 Ų | 107.6 | 72% | 0.722 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 80.3 | 20.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 115.9 | H197 | H197-G200 PolarHBondContact O-N 3.05Š|
| 201 | Y | 53.3 | Low | 55.7 | Low | 157 Ų | 157 | 104.7 Ų | 104.7 | 62% | 0.616 | 61% | 0.609 | S | S | * | * | P | Polyproline II helix | trans | -85.7 | 137.4 | 174.4 | -75.4 | -84.8 | 0 | 0 | 0 | 111.7 | M196 L199 V203 | M196-Y201 PolarHBondContact O-N 3.33Å; L199-Y201 HydrophobicContact CB-CD2 4.19Å; L199-Y201 HydrophobicContact CB-CE2 4.43Å; Y201-V203 PolarHBondContact O-N 3.35Å |
| 202 | P | 52.7 | Low | 55.7 | Low | 123 Ų | 123 | 105.3 Ų | 105.3 | 80% | 0.799 | 61% | 0.607 | S | S | * | * | P | Polyproline II helix | trans | -70.8 | 126.8 | -179.4 | 27.1 | -32.4 | 0 | 0 | 0 | 111.5 | ||
| 203 | V | 56.6 | Low | 55.8 | Low | 71 Ų | 71 | 103.9 Ų | 103.9 | 43% | 0.43 | 61% | 0.608 | S | S | . | * | P | Polyproline II helix | trans | -99 | 137.7 | 178.3 | -180 | 0 | 0 | 0 | 0 | 109.8 | Y201 L207 | Y201-V203 PolarHBondContact O-N 3.35Å; V203-L207 HydrophobicContact CG1-CB 4.32Å |
| 204 | P | 59.2 | Low | 55.7 | Low | 100 Ų | 100 | 107.8 Ų | 107.8 | 65% | 0.649 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -58.8 | 142.5 | 177 | -24.2 | 33.9 | 0 | 0 | 0 | 113.5 | Q206 L207 | P204-Q206 PolarHBondContact O-N 3.44Å; P204-L207 PolarHBondContact O-N 2.88Å |
| 205 | A | 56.8 | Low | 55.6 | Low | 96 Ų | 96 | 112.9 Ų | 112.9 | 79% | 0.793 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -12.8 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 206 | Q | 55.9 | Low | 55.1 | Low | 186 Ų | 186 | 114.8 Ų | 114.8 | 87% | 0.869 | 65% | 0.645 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | -13.3 | -179.1 | -65.9 | -154.7 | -20.3 | 0 | 0 | 114.8 | P204 | P204-Q206 PolarHBondContact O-N 3.44Š|
| 207 | L | 54.3 | Low | 54.6 | Low | 102 Ų | 102 | 119.1 Ų | 119.1 | 53% | 0.534 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -111.5 | 0.5 | -177.9 | -65.3 | 174.6 | 0 | 0 | 0 | 114.2 | V203 P204 | V203-L207 HydrophobicContact CG1-CB 4.32Å; P204-L207 PolarHBondContact O-N 2.88Å |
| 208 | S | 53.5 | Low | 54.4 | Low | 67 Ų | 67 | 119.7 Ų | 119.7 | 47% | 0.469 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -65.7 | -37.9 | -179.8 | -179.2 | 0 | 0 | 0 | 0 | 113 | V210 V211 N212 | S208-V210 VanDerWaalsContact C-N 3.26Å; S208-V210 PolarHBondContact O-N 3.27Å; S208-V211 PolarHBondContact O-N 3.42Å; S208-N212 PolarHBondContact O-N 3.32Å |
| 209 | S | 54.9 | Low | 54 | Low | 93 Ų | 93 | 115 Ų | 115 | 65% | 0.65 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -62 | -31.5 | -177.6 | -170.1 | 0 | 0 | 0 | 0 | 113.5 | S213 | S209-S213 PolarHBondContact O-OG 3.38Å; S209-S213 VanDerWaalsContact O-OG 3.08Å |
| 210 | V | 56.5 | Low | 53.1 | Low | 99 Ų | 99 | 117.5 Ų | 117.5 | 60% | 0.6 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -79.7 | -29.9 | -176.6 | -140.8 | 0 | 0 | 0 | 0 | 112.1 | S208 | S208-V210 VanDerWaalsContact C-N 3.26Å; S208-V210 PolarHBondContact O-N 3.27Å |
| 211 | V | 54.4 | Low | 52.7 | Low | 75 Ų | 75 | 122.8 Ų | 122.8 | 46% | 0.455 | 69% | 0.694 | S | S | . | * | H | α-helix | trans | -74.3 | -39.3 | 178.5 | 144.8 | 0 | 0 | 0 | 0 | 112 | S208 S213 M214 | S208-V211 PolarHBondContact O-N 3.42Å; V211-S213 PolarHBondContact O-N 3.27Å; V211-M214 PolarHBondContact O-N 3.29Å |
| 212 | N | 54.8 | Low | 52 | Low | 113 Ų | 113 | 120.1 Ų | 120.1 | 60% | 0.604 | 70% | 0.698 | S | S | * | * | H | α-helix | trans | -66.1 | -23.6 | 177.6 | -77.3 | -10.5 | 0 | 0 | 0 | 113.1 | S208 M214 | S208-N212 PolarHBondContact O-N 3.32Å; N212-M214 VanDerWaalsContact C-N 3.3Å; N212-M214 PolarHBondContact O-N 3.08Å |
| 213 | S | 54.9 | Low | 51.1 | Low | 94 Ų | 94 | 120.7 Ų | 120.7 | 66% | 0.657 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -16 | -179.5 | -61.5 | 0 | 0 | 0 | 0 | 113.9 | S209 V211 | S209-S213 PolarHBondContact O-OG 3.38Å; S209-S213 VanDerWaalsContact O-OG 3.08Å; V211-S213 PolarHBondContact O-N 3.27Å |
| 214 | M | 52.2 | Low | 50.1 | Low | 147 Ų | 147 | 122.2 Ų | 122.2 | 72% | 0.724 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -10.6 | -179.9 | -102.9 | -172.7 | 71.3 | 0 | 0 | 114.3 | V211 N212 | V211-M214 PolarHBondContact O-N 3.29Å; N212-M214 VanDerWaalsContact C-N 3.3Å; N212-M214 PolarHBondContact O-N 3.08Å |
| 215 | W | 53.5 | Low | 48.9 | Very low | 188 Ų | 188 | 126.3 Ų | 126.3 | 71% | 0.712 | 72% | 0.721 | S | S | * | * | trans | -143.4 | 82.2 | -178.9 | -69.1 | 96.1 | 0 | 0 | 0 | 111.4 | H217 | W215-H217 PolarHBondContact O-N 3.23Š| ||
| 216 | P | 46.7 | Very low | 47.8 | Very low | 126 Ų | 126 | 127.4 Ų | 127.4 | 82% | 0.818 | 72% | 0.723 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | -4.3 | -174 | -16.4 | 30 | 0 | 0 | 0 | 115.1 | ||
| 217 | H | 48.9 | Very low | 46.6 | Very low | 181 Ų | 181 | 123.3 Ų | 123.3 | 84% | 0.838 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.8 | 9.4 | -165.4 | -140.4 | -57.2 | 0 | 0 | 0 | 115.7 | W215 | W215-H217 PolarHBondContact O-N 3.23Š|
| 218 | V | 52.5 | Low | 45.7 | Very low | 130 Ų | 130 | 125.8 Ų | 125.8 | 79% | 0.788 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -124.1 | 72.3 | 176.8 | -168 | 0 | 0 | 0 | 0 | 109.2 | ||
| 219 | G | 48.9 | Very low | 45.3 | Very low | 72 Ų | 72 | 128.1 Ų | 128.1 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | 169.3 | 62.3 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 220 | M | 41.1 | Very low | 44.2 | Very low | 178 Ų | 178 | 129.7 Ų | 129.7 | 88% | 0.877 | 75% | 0.752 | S | S | * | * | trans | -152.2 | 78.1 | 160.1 | -120.2 | -168.2 | 75.8 | 0 | 0 | 110.8 | ||||
| 221 | L | 43.9 | Very low | 43 | Very low | 180 Ų | 180 | 130 Ų | 130 | 94% | 0.942 | 76% | 0.759 | S | S | * | * | trans | -141.3 | 71.2 | 153.1 | -73.3 | 179.2 | 0 | 0 | 0 | 107.7 | ||||
| 222 | S | 39.2 | Very low | 42 | Very low | 102 Ų | 102 | 131.2 Ų | 131.2 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -163.6 | 135.7 | 144 | -151.9 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 223 | D | 33.3 | Very low | 40.8 | Very low | 135 Ų | 135 | 133.8 Ų | 133.8 | 72% | 0.722 | 78% | 0.779 | S | S | * | * | trans | 88.3 | 117.8 | 154.1 | -85.9 | -68.6 | 0 | 0 | 0 | 122.6 | ||||
| 224 | S | 35.6 | Very low | 39.8 | Very low | 103 Ų | 103 | 139.9 Ų | 139.9 | 72% | 0.72 | 79% | 0.789 | S | S | * | * | trans | 98.9 | 109.1 | 132.5 | -67.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 225 | M | 35.9 | Very low | 39.1 | Very low | 185 Ų | 185 | 136.7 Ų | 136.7 | 91% | 0.911 | 79% | 0.786 | S | S | * | * | trans | -8.9 | 129.6 | 150.9 | -68.5 | -172.6 | 145.9 | 0 | 0 | 117.5 | ||||
| 226 | S | 31.8 | Very low | 39 | Very low | 119 Ų | 119 | 132.6 Ų | 132.6 | 83% | 0.832 | 78% | 0.783 | S | S | * | * | 176.3 | 140.2 | 124.8 | 40.6 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 227 | A | 31.4 | Very low | 38.6 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 84% | 0.835 | 79% | 0.786 | S | S | * | * | trans | 61.4 | 110.9 | 148.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 228 | I | 35.2 | Very low | 38.2 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | -70.3 | 145.8 | 146.5 | -77 | -74.1 | 0 | 0 | 0 | 107.9 | ||||
| 229 | P | 45.2 | Very low | 37.9 | Very low | 116 Ų | 116 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | -147.9 | 149.6 | 70.3 | 34.8 | -11.6 | 0 | 0 | 0 | 120.6 | |||||
| 230 | V | 32.7 | Very low | 37.2 | Very low | 126 Ų | 126 | 134.4 Ų | 134.4 | 76% | 0.764 | 80% | 0.795 | S | S | * | * | trans | 33.1 | 119.4 | 135.6 | 164.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 231 | S | 31 | Very low | 37.1 | Very low | 105 Ų | 105 | 134.3 Ų | 134.3 | 73% | 0.734 | 79% | 0.794 | S | S | * | * | 168.3 | 130.3 | 103.2 | -126.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 232 | S | 32.8 | Very low | 36.9 | Very low | 100 Ų | 100 | 135.8 Ų | 135.8 | 70% | 0.699 | 79% | 0.793 | S | S | * | * | 61 | 119.2 | 116.4 | -129.1 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 233 | E | 29.2 | Very low | 36.8 | Very low | 167 Ų | 167 | 133.4 Ų | 133.4 | 78% | 0.78 | 79% | 0.785 | S | S | * | * | cis | -176.9 | 161.3 | 45.4 | -126.6 | 166.7 | 138 | 0 | 0 | 109.4 | ||||
| 234 | Y | 35.1 | Very low | 36.8 | Very low | 223 Ų | 223 | 135 Ų | 135 | 88% | 0.875 | 79% | 0.792 | S | S | * | * | trans | 96 | 125.2 | 157.3 | -115 | -99.1 | 0 | 0 | 0 | 121.9 | ||||
| 235 | A | 36.7 | Very low | 36.8 | Very low | 80 Ų | 80 | 139.9 Ų | 139.9 | 66% | 0.661 | 80% | 0.797 | S | S | * | * | trans | -72.6 | -173.5 | -168.6 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 236 | P | 53 | Low | 36.9 | Very low | 101 Ų | 101 | 140 Ų | 140 | 66% | 0.656 | 79% | 0.794 | S | S | * | * | cis | -150.3 | 175.1 | 24.5 | 32 | -4.5 | 0 | 0 | 0 | 119.6 | ||||
| 237 | F | 38 | Very low | 37.2 | Very low | 200 Ų | 200 | 142.8 Ų | 142.8 | 88% | 0.877 | 79% | 0.794 | S | S | * | * | trans | 94.6 | 92.9 | 169.4 | -54.9 | -69.5 | 0 | 0 | 0 | 117.2 | ||||
| 238 | G | 40 | Very low | 37.3 | Very low | 76 Ų | 76 | 142.1 Ų | 142.1 | 78% | 0.784 | 79% | 0.789 | S | S | * | * | trans | -79.4 | 147 | 170.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 239 | V | 45.3 | Very low | 37.3 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -143.4 | 135.2 | 149.1 | -94.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 240 | S | 35.7 | Very low | 37.1 | Very low | 124 Ų | 124 | 137.9 Ų | 137.9 | 87% | 0.867 | 79% | 0.787 | S | S | * | * | trans | -69.2 | 134.6 | -168.7 | -172.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 241 | M | 38.9 | Very low | 37.5 | Very low | 176 Ų | 176 | 140.2 Ų | 140.2 | 87% | 0.867 | 79% | 0.79 | S | S | * | * | trans | -61.9 | 143.6 | 162 | -79.1 | -93 | -153.1 | 0 | 0 | 110.9 | ||||
| 242 | K | 39.2 | Very low | 38.5 | Very low | 210 Ų | 210 | 141.9 Ų | 141.9 | 91% | 0.913 | 80% | 0.796 | S | S | * | * | trans | -133 | 107.5 | 147 | -149.6 | 174 | -172.1 | -179.9 | 0 | 107.9 | ||||
| 243 | G | 36 | Very low | 39.3 | Very low | 53 Ų | 53 | 144.1 Ų | 144.1 | 55% | 0.546 | 80% | 0.799 | S | S | . | * | trans | -76.6 | 149.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 244 | L | 34.7 | Very low | 40.3 | Very low | 167 Ų | 167 | 141.6 Ų | 141.6 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | trans | -130.7 | 107.3 | 150.3 | -142.4 | 75.3 | 0 | 0 | 0 | 106.7 | ||||
| 245 | Y | 34.5 | Very low | 41 | Very low | 207 Ų | 207 | 135.8 Ų | 135.8 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -65.5 | 134.4 | 171.3 | -79.8 | -99.3 | 0 | 0 | 0 | 109.5 | ||||
| 246 | H | 38.9 | Very low | 42.1 | Very low | 187 Ų | 187 | 138.2 Ų | 138.2 | 87% | 0.866 | 80% | 0.801 | S | S | * | * | trans | -132.3 | 116.1 | 138.9 | -91.2 | -71.4 | 0 | 0 | 0 | 109.2 | ||||
| 247 | H | 37.4 | Very low | 42.2 | Very low | 177 Ų | 177 | 139 Ų | 139 | 82% | 0.819 | 81% | 0.806 | S | S | * | * | trans | -80.9 | 126.4 | 175.1 | -171.2 | -91.1 | 0 | 0 | 0 | 108.5 | ||||
| 248 | A | 33.5 | Very low | 43.7 | Very low | 88 Ų | 88 | 135.8 Ų | 135.8 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | trans | -153.7 | 102.5 | 163.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 249 | S | 35.5 | Very low | 44.7 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | 23.4 | 121.9 | 141 | 55.1 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 250 | G | 41.8 | Very low | 45 | Very low | 75 Ų | 75 | 139 Ų | 139 | 77% | 0.773 | 80% | 0.803 | S | S | * | * | trans | -58.7 | 146 | 164.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 251 | Q | 39.8 | Very low | 46 | Very low | 175 Ų | 175 | 142.3 Ų | 142.3 | 82% | 0.818 | 80% | 0.801 | S | S | * | * | trans | -164.8 | 120 | 138.5 | -107.2 | -171.4 | 67.8 | 0 | 0 | 108.5 | ||||
| 252 | T | 52.1 | Low | 46.6 | Very low | 139 Ų | 139 | 139.3 Ų | 139.3 | 85% | 0.853 | 80% | 0.795 | S | S | * | * | trans | -73.7 | 118.4 | 168.1 | 50.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 253 | L | 50 | Low | 47.4 | Very low | 148 Ų | 148 | 135.7 Ų | 135.7 | 78% | 0.775 | 79% | 0.791 | S | S | * | * | trans | -107.6 | 135.1 | 168.1 | -69.6 | 177.2 | 0 | 0 | 0 | 109.8 | ||||
| 254 | P | 49.6 | Very low | 48.3 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -77 | 139.5 | 175.8 | 31.1 | -31.8 | 0 | 0 | 0 | 110.7 | V256 | P254-V256 PolarHBondContact O-N 3.28Š|
| 255 | A | 49.8 | Very low | 49 | Very low | 102 Ų | 102 | 136.3 Ų | 136.3 | 84% | 0.843 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 120.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||
| 256 | V | 60.5 | Low | 49.8 | Very low | 130 Ų | 130 | 135.1 Ų | 135.1 | 79% | 0.788 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -81 | 129.1 | 173.1 | 176.6 | 0 | 0 | 0 | 0 | 109.2 | P254 | P254-V256 PolarHBondContact O-N 3.28Š|
| 257 | P | 55.7 | Low | 50.6 | Low | 117 Ų | 117 | 129 Ų | 129 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 130.5 | 174.2 | -13.8 | 28.2 | 0 | 0 | 0 | 111.3 | ||
| 258 | V | 68.4 | Low | 51.5 | Low | 133 Ų | 133 | 126.6 Ų | 126.6 | 81% | 0.806 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -76.3 | 134.7 | 174.6 | -113.4 | 0 | 0 | 0 | 0 | 111 | I260 | V258-I260 PolarHBondContact O-N 2.89Š|
| 259 | P | 60.9 | Low | 52.5 | Low | 127 Ų | 127 | 131 Ų | 131 | 83% | 0.825 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 128.7 | 176.9 | -19 | 31.7 | 0 | 0 | 0 | 112.7 | ||
| 260 | I | 53.1 | Low | 53.3 | Low | 165 Ų | 165 | 131.3 Ų | 131.3 | 85% | 0.846 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 119.1 | 173.8 | -44 | 171.8 | 0 | 0 | 0 | 107.9 | V258 | V258-I260 PolarHBondContact O-N 2.89Š|
| 261 | K | 54.7 | Low | 53.2 | Low | 193 Ų | 193 | 131.4 Ų | 131.4 | 84% | 0.839 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 133.6 | 176.9 | -178.3 | 171.1 | 174.5 | 166 | 0 | 110.6 | ||
| 262 | P | 53.2 | Low | 53.3 | Low | 114 Ų | 114 | 131.5 Ų | 131.5 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 147.5 | 178.2 | 26.8 | -31.5 | 0 | 0 | 0 | 113.4 | ||
| 263 | T | 56 | Low | 52.8 | Low | 133 Ų | 133 | 130.9 Ų | 130.9 | 82% | 0.816 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -48.3 | 140 | 173.9 | -25.2 | 0 | 0 | 0 | 0 | 113.2 | ||
| 264 | P | 54.7 | Low | 52.2 | Low | 122 Ų | 122 | 127.6 Ų | 127.6 | 79% | 0.792 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 123.6 | 169.1 | 29 | -29.7 | 0 | 0 | 0 | 111.5 | ||
| 265 | S | 49.2 | Very low | 51.8 | Low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -79.2 | 128.5 | 166.8 | 176 | 0 | 0 | 0 | 0 | 109.7 | ||
| 266 | M | 51.8 | Low | 52 | Low | 181 Ų | 181 | 130.3 Ų | 130.3 | 89% | 0.892 | 81% | 0.806 | S | S | * | * | trans | -89.1 | 115.1 | 169.9 | -73.5 | -95.6 | 71 | 0 | 0 | 109.2 | ||||
| 267 | G | 55.9 | Low | 50.9 | Low | 59 Ų | 59 | 129.2 Ų | 129.2 | 61% | 0.608 | 80% | 0.804 | S | S | * | * | trans | -82.8 | 177.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 268 | P | 54.7 | Low | 50.2 | Low | 127 Ų | 127 | 127.2 Ų | 127.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 148.2 | -159.2 | 31.5 | -24.7 | 0 | 0 | 0 | 113.9 | ||
| 269 | M | 55.6 | Low | 49.4 | Very low | 179 Ų | 179 | 127 Ų | 127 | 88% | 0.882 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -74.8 | 136.5 | 175.4 | -77.9 | -91.5 | 87.4 | 0 | 0 | 112.1 | ||
| 270 | P | 51.7 | Low | 48.3 | Very low | 113 Ų | 113 | 124.8 Ų | 124.8 | 73% | 0.734 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 146.9 | 167.2 | 18.9 | -5.4 | 0 | 0 | 0 | 112 | ||
| 271 | G | 40.8 | Very low | 47.6 | Very low | 77 Ų | 77 | 124.5 Ų | 124.5 | 79% | 0.794 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -80 | 170.2 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 272 | L | 41 | Very low | 46.7 | Very low | 177 Ų | 177 | 121.8 Ų | 121.8 | 93% | 0.927 | 79% | 0.787 | S | S | * | * | trans | -135.4 | 120.8 | 158.7 | -99.7 | 154.8 | 0 | 0 | 0 | 107.9 | ||||
| 273 | S | 42.3 | Very low | 45.7 | Very low | 126 Ų | 126 | 121.2 Ų | 121.2 | 88% | 0.881 | 79% | 0.785 | S | S | * | * | trans | -74.6 | 148.2 | 175.7 | 15.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 274 | G | 36 | Very low | 44.8 | Very low | 80 Ų | 80 | 119.6 Ų | 119.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | 173.1 | 69.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 275 | L | 41.3 | Very low | 44.1 | Very low | 162 Ų | 162 | 118.9 Ų | 118.9 | 85% | 0.848 | 78% | 0.777 | S | S | * | * | trans | -66 | 161.9 | 154 | -97.1 | 141.5 | 0 | 0 | 0 | 108.8 | ||||
| 276 | P | 54.3 | Low | 43.5 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 71% | 0.714 | 78% | 0.775 | S | S | * | * | cis | -149.8 | 161.7 | 45.9 | 43.4 | -22.7 | 0 | 0 | 0 | 119.4 | ||||
| 277 | S | 38.4 | Very low | 42.9 | Very low | 107 Ų | 107 | 114.9 Ų | 114.9 | 75% | 0.748 | 77% | 0.767 | S | S | * | * | trans | 48.7 | 125.3 | 134.7 | 68.1 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 278 | G | 39.5 | Very low | 42 | Very low | 75 Ų | 75 | 120 Ų | 120 | 77% | 0.773 | 78% | 0.777 | S | S | * | * | trans | 161.5 | 139.1 | 143.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 279 | P | 52 | Low | 41.5 | Very low | 127 Ų | 127 | 119.5 Ų | 119.5 | 83% | 0.825 | 77% | 0.767 | S | S | * | * | trans | -117.1 | 167.4 | -149.3 | 38.3 | -23.4 | 0 | 0 | 0 | 116 | ||||
| 280 | A | 37.9 | Very low | 40.7 | Very low | 81 Ų | 81 | 117.6 Ų | 117.6 | 67% | 0.669 | 76% | 0.755 | S | S | * | * | trans | 80.1 | 158.2 | 143.1 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 281 | Q | 38.7 | Very low | 40.2 | Very low | 160 Ų | 160 | 119.3 Ų | 119.3 | 75% | 0.748 | 75% | 0.751 | S | S | * | * | trans | 90.1 | 112.7 | 161.7 | -51 | -69.4 | -56.3 | 0 | 0 | 114.5 | ||||
| 282 | L | 36.4 | Very low | 39.8 | Very low | 136 Ų | 136 | 122.1 Ų | 122.1 | 71% | 0.712 | 75% | 0.748 | S | S | * | * | cis | 109.3 | 132.7 | 48 | -100.8 | 160.7 | 0 | 0 | 0 | 110.4 | ||||
| 283 | C | 31.9 | Very low | 39.5 | Very low | 102 Ų | 102 | 116.8 Ų | 116.8 | 69% | 0.689 | 74% | 0.736 | S | S | * | * | trans | 72.6 | 114.5 | 151.6 | -80 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 284 | S | 37.8 | Very low | 39.3 | Very low | 99 Ų | 99 | 116 Ų | 116 | 69% | 0.692 | 73% | 0.731 | S | S | * | * | 70.1 | 118.1 | 108.7 | -54.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 285 | S | 38.3 | Very low | 39.7 | Very low | 107 Ų | 107 | 119.9 Ų | 119.9 | 75% | 0.748 | 73% | 0.732 | S | S | * | * | 66.2 | 126.7 | 119.6 | -52.5 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 286 | S | 38.3 | Very low | 40.6 | Very low | 107 Ų | 107 | 117 Ų | 117 | 75% | 0.748 | 72% | 0.724 | S | S | * | * | trans | 81 | 119.3 | 130.7 | -67.1 | 0 | 0 | 0 | 0 | 122 | ||||
| 287 | S | 37.7 | Very low | 40 | Very low | 102 Ų | 102 | 119.1 Ų | 119.1 | 71% | 0.713 | 73% | 0.728 | S | S | * | * | 87 | 147.1 | 122.3 | 75.5 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 288 | M | 37 | Very low | 40 | Very low | 166 Ų | 166 | 123 Ų | 123 | 82% | 0.818 | 73% | 0.734 | S | S | * | * | trans | 79.1 | 143 | 149.8 | -68.3 | -132.1 | 179 | 0 | 0 | 116.9 | ||||
| 289 | L | 43.9 | Very low | 39.9 | Very low | 117 Ų | 117 | 122.6 Ų | 122.6 | 61% | 0.613 | 73% | 0.73 | S | S | * | * | cis | 179.1 | 154.1 | -13.9 | -139.7 | 133.2 | 0 | 0 | 0 | 104.3 | ||||
| 290 | E | 40.1 | Very low | 39.4 | Very low | 138 Ų | 138 | 127 Ų | 127 | 65% | 0.645 | 74% | 0.736 | S | S | * | * | trans | 71.2 | 151.2 | 151.1 | -110.1 | -177.6 | 110.4 | 0 | 0 | 116.2 | ||||
| 291 | K | 39.5 | Very low | 39.4 | Very low | 149 Ų | 149 | 126.2 Ų | 126.2 | 65% | 0.648 | 74% | 0.736 | S | S | * | * | cis | -172.4 | 158.7 | 28.7 | -155.9 | 179.1 | 176.6 | 106.1 | 0 | 111.1 | ||||
| 292 | N | 32.8 | Very low | 39.3 | Very low | 137 Ų | 137 | 127 Ų | 127 | 73% | 0.733 | 75% | 0.745 | S | S | * | * | trans | 76.4 | 121 | 155.6 | -75.6 | -8.4 | 0 | 0 | 0 | 117.6 | ||||
| 293 | G | 36.2 | Very low | 39.6 | Very low | 64 Ų | 64 | 124 Ų | 124 | 66% | 0.66 | 74% | 0.741 | S | S | * | * | cis | 94.3 | 109.4 | 14.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 294 | S | 37.5 | Very low | 40.1 | Very low | 111 Ų | 111 | 126.5 Ų | 126.5 | 78% | 0.776 | 75% | 0.746 | S | S | * | * | trans | 174.5 | 97.1 | 136.2 | 31.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 295 | D | 44.6 | Very low | 40.4 | Very low | 160 Ų | 160 | 130.7 Ų | 130.7 | 86% | 0.856 | 75% | 0.754 | S | S | * | * | 68.5 | 159.7 | 104.5 | -85.4 | -26.1 | 0 | 0 | 0 | 123.8 | |||||
| 296 | P | 58.7 | Low | 41.3 | Very low | 103 Ų | 103 | 130.5 Ų | 130.5 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | -131.5 | -176.4 | -126.3 | 44.5 | -28.5 | 0 | 0 | 0 | 114.1 | |||||
| 297 | L | 42.7 | Very low | 41.5 | Very low | 154 Ų | 154 | 129.5 Ų | 129.5 | 81% | 0.806 | 75% | 0.748 | S | S | * | * | trans | -146.9 | 124.3 | 154.2 | -79.9 | 177.9 | 0 | 0 | 0 | 112.4 | ||||
| 298 | E | 38.3 | Very low | 42 | Very low | 188 Ų | 188 | 132.5 Ų | 132.5 | 88% | 0.879 | 76% | 0.755 | S | S | * | * | trans | 34.4 | 142.5 | 139.1 | -60.6 | -172.7 | 94.9 | 0 | 0 | 120.9 | ||||
| 299 | G | 37.1 | Very low | 42.6 | Very low | 67 Ų | 67 | 132.2 Ų | 132.2 | 69% | 0.691 | 76% | 0.756 | S | S | * | * | cis | 158 | 172.3 | 16.9 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 300 | K | 41.7 | Very low | 43 | Very low | 219 Ų | 219 | 133.8 Ų | 133.8 | 95% | 0.952 | 76% | 0.764 | S | S | * | * | trans | 76.8 | 120.4 | -178 | -74.6 | 158.2 | 160.3 | 164.7 | 0 | 115.6 | ||||
| 301 | G | 37.3 | Very low | 43.6 | Very low | 64 Ų | 64 | 136.3 Ų | 136.3 | 66% | 0.66 | 80% | 0.797 | S | S | * | * | cis | 104.4 | 93.6 | 21.2 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 302 | N | 37 | Very low | 43.8 | Very low | 176 Ų | 176 | 135.7 Ų | 135.7 | 94% | 0.941 | 81% | 0.805 | S | S | * | * | 172.7 | 149 | 119.3 | -94.8 | 4.4 | 0 | 0 | 0 | 114.5 | |||||
| 303 | A | 42.2 | Very low | 44.4 | Very low | 75 Ų | 75 | 135.6 Ų | 135.6 | 62% | 0.62 | 81% | 0.808 | S | S | * | * | trans | -83.3 | 149.2 | -173.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 304 | I | 43.7 | Very low | 44.9 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | 42.4 | 119.8 | 128.3 | -38.9 | 161.7 | 0 | 0 | 0 | 117.9 | |||||
| 305 | H | 44.2 | Very low | 45.3 | Very low | 187 Ų | 187 | 141.2 Ų | 141.2 | 87% | 0.866 | 82% | 0.819 | S | S | * | * | trans | -128.1 | 130.7 | 154.6 | -116.6 | -84 | 0 | 0 | 0 | 110 | ||||
| 306 | P | 55.8 | Low | 45.4 | Very low | 102 Ų | 102 | 140.1 Ų | 140.1 | 66% | 0.662 | 82% | 0.817 | S | S | * | * | trans | -104.5 | 158.8 | 164.2 | 36 | -26.3 | 0 | 0 | 0 | 112.7 | ||||
| 307 | A | 43.7 | Very low | 44.5 | Very low | 86 Ų | 86 | 142.5 Ų | 142.5 | 71% | 0.711 | 83% | 0.827 | S | S | * | * | trans | 67.4 | 122.6 | 144.4 | 0 | 0 | 0 | 0 | 0 | 122.8 | ||||
| 308 | L | 48.5 | Very low | 44.6 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 83% | 0.828 | S | S | * | * | trans | 66.6 | 117.4 | 133.9 | -58.2 | 173.7 | 0 | 0 | 0 | 121.4 | ||||
| 309 | L | 50.1 | Low | 45.1 | Very low | 161 Ų | 161 | 138.2 Ų | 138.2 | 84% | 0.843 | 82% | 0.824 | S | S | * | * | -175.7 | 131.7 | 127.2 | -106.2 | 152.2 | 0 | 0 | 0 | 113.6 | |||||
| 310 | L | 51.2 | Low | 45.7 | Very low | 149 Ų | 149 | 144.1 Ų | 144.1 | 78% | 0.78 | 84% | 0.835 | S | S | * | * | trans | 30.1 | 118.2 | 150.2 | -105 | 75.8 | 0 | 0 | 0 | 120.9 | ||||
| 311 | S | 53.6 | Low | 46.1 | Very low | 191 Ų | 191 | 137.3 Ų | 137.3 | 100% | 1.336 | 83% | 0.825 | S | S | * | * | 175 | 0 | 99.8 | -67.9 | 0 | 0 | 0 | 0 | 110.5 |
Retrieved 311 of 311 residues in 128.8 ms
(Link to these results)