| 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 | 36 | Very low | 58.8 | Low | 243 Ų | 243 | 148.2 Ų | 148.2 | 100% | 1.197 | 76% | 0.762 | S | S | * | * | 0 | 97.1 | 0 | -74.6 | 173.1 | 169.4 | 0 | 0 | 107.7 | |||||
| 2 | A | 46.8 | Very low | 61.5 | Low | 106 Ų | 106 | 142.8 Ų | 142.8 | 88% | 0.876 | 73% | 0.731 | S | S | * | * | trans | -89.3 | 108.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | S | 46.1 | Very low | 63.9 | Low | 110 Ų | 110 | 141.7 Ų | 141.7 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -125.2 | 78.1 | 169.8 | -60.8 | 0 | 0 | 0 | 0 | 108.6 | R5 | S3-R5 PolarHBondContact O-N 3.44Å; S3-R5 VanDerWaalsContact O-N 3.13Å | ||
| 4 | F | 47.6 | Very low | 66.1 | Low | 192 Ų | 192 | 140.5 Ų | 140.5 | 84% | 0.842 | 71% | 0.709 | S | S | * | * | trans | 30.8 | 68 | 137.7 | -130.3 | -95.5 | 0 | 0 | 0 | 118.1 | ||||
| 5 | R | 54.3 | Low | 67.9 | Low | 214 Ų | 214 | 140.3 Ų | 140.3 | 81% | 0.808 | 70% | 0.696 | S | S | * | * | trans | -103.9 | 67.5 | 169.6 | -162 | -179.4 | -171 | -177.7 | 1.4 | 111.8 | S3 E8 | S3-R5 PolarHBondContact O-N 3.44Å; S3-R5 VanDerWaalsContact O-N 3.13Å; R5-E8 IonicContact NE-OE2 3.49Å; R5-E8 PolarHBondContact NE-OE2 2.81Å | ||
| 6 | A | 52 | Low | 69.5 | Low | 76 Ų | 76 | 141.8 Ų | 141.8 | 63% | 0.628 | 69% | 0.691 | S | S | * | * | trans | -157.1 | 70.8 | 165.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 7 | P | 54.1 | Low | 71 | Confident | 92 Ų | 92 | 142.1 Ų | 142.1 | 60% | 0.597 | 68% | 0.684 | S | S | * | * | S | Bend | trans | -137 | -0.7 | 138.2 | 18.2 | 3.2 | 0 | 0 | 0 | 114.5 | T9 | P7-T9 PolarHBondContact O-N 3.23Å; P7-T9 VanDerWaalsContact O-N 3.12Å |
| 8 | E | 57 | Low | 72.3 | Confident | 124 Ų | 124 | 136.3 Ų | 136.3 | 58% | 0.579 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -69.5 | -2.8 | -178.8 | -74.3 | -178.9 | 122.7 | 0 | 0 | 114.5 | R5 E12 | R5-E8 IonicContact NE-OE2 3.49Å; R5-E8 PolarHBondContact NE-OE2 2.81Å; E8-E12 WeakPolarHBondContact O-CB 3.42Å |
| 9 | T | 77.1 | Confident | 73.3 | Confident | 85 Ų | 85 | 133.2 Ų | 133.2 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -85.6 | -45.5 | -168.4 | 51.3 | 0 | 0 | 0 | 0 | 114 | P7 Q13 | P7-T9 PolarHBondContact O-N 3.23Å; P7-T9 VanDerWaalsContact O-N 3.12Å; T9-Q13 VanDerWaalsContact O-CB 3.25Å; T9-Q13 WeakPolarHBondContact O-CB 3.46Å; T9-Q13 WeakPolarHBondContact O-CG 3.44Å; T9-Q13 PolarHBondContact O-N 3.43Å; T9-Q13 PolarHBondContact O-NE2 3.26Å |
| 10 | K | 86.9 | Confident | 74.1 | Confident | 171 Ų | 171 | 136.3 Ų | 136.3 | 74% | 0.743 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -74.4 | -43.6 | -175.3 | -71.6 | -174.6 | 179.5 | -179.8 | 0 | 113.3 | Q13 F14 | K10-Q13 PolarHBondContact O-N 3.04Å; K10-F14 WeakPolarHBondContact O-CB 2.92Å; K10-F14 PolarHBondContact O-N 3.36Å |
| 11 | R | 88.9 | Confident | 74.7 | Confident | 217 Ų | 217 | 132.5 Ų | 132.5 | 82% | 0.819 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -64.6 | -42.6 | 179.8 | -179.2 | 177.8 | 164.6 | 137 | -1.4 | 111.1 | F14 R15 | R11-F14 PolarHBondContact O-N 3.26Å; R11-R15 PolarHBondContact O-N 2.87Å |
| 12 | E | 91.4 | Very high | 77.2 | Confident | 84 Ų | 84 | 121.9 Ų | 121.9 | 39% | 0.393 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -69.4 | -39.9 | 178.6 | -168.6 | 62.4 | -160.7 | 0 | 0 | 111.8 | E8 F14 R15 R16 | E8-E12 WeakPolarHBondContact O-CB 3.42Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.26Å; E12-R15 PolarHBondContact O-N 3.22Å; E12-R16 WeakPolarHBondContact O-CG 3.44Å; E12-R16 PolarHBondContact O-N 3.3Å; E12-R16 IonicContact OE1-NE 3.96Å |
| 13 | Q | 92.4 | Very high | 79.2 | Confident | 128 Ų | 128 | 119.6 Ų | 119.6 | 60% | 0.598 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -59.6 | -43.2 | 172.3 | -77.2 | 165.1 | 16.2 | 0 | 0 | 112 | T9 K10 R16 Y17 | T9-Q13 VanDerWaalsContact O-CB 3.25Å; T9-Q13 WeakPolarHBondContact O-CB 3.46Å; T9-Q13 WeakPolarHBondContact O-CG 3.44Å; T9-Q13 PolarHBondContact O-N 3.43Å; T9-Q13 PolarHBondContact O-NE2 3.26Å; K10-Q13 PolarHBondContact O-N 3.04Å; Q13-R16 PolarHBondContact O-N 3.38Å; Q13-Y17 WeakPolarHBondContact O-CB 3.36Å; Q13-Y17 PolarHBondContact O-N 3.29Å |
| 14 | F | 94.1 | Very high | 81.4 | Confident | 125 Ų | 125 | 117 Ų | 117 | 55% | 0.548 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.9 | -42.5 | 177.6 | -172.8 | -113.8 | 0 | 0 | 0 | 111.8 | K10 R11 E12 Y17 L18 | K10-F14 WeakPolarHBondContact O-CB 2.92Å; K10-F14 PolarHBondContact O-N 3.36Å; R11-F14 PolarHBondContact O-N 3.26Å; E12-F14 VanDerWaalsContact C-N 3.33Å; E12-F14 PolarHBondContact O-N 3.26Å; F14-Y17 HydrophobicContact CD2-CD1 4.31Å; F14-Y17 HydrophobicContact CE2-CD1 4.27Å; F14-Y17 WeakPolarHBondContact O-CB 3.41Å; F14-Y17 PolarHBondContact O-N 2.97Å; F14-L18 HydrophobicContact CD1-CD1 4.06Å; F14-L18 HydrophobicContact CD1-CG 4.48Å; F14-L18 HydrophobicContact CE1-CD1 3.61Å; F14-L18 HydrophobicContact CE1-CG 4.17Å; F14-L18 HydrophobicContact CE2-CD2 4.4Å; F14-L18 HydrophobicContact CZ-CD1 4.01Å; F14-L18 HydrophobicContact CZ-CD2 4.1Å; F14-L18 HydrophobicContact CZ-CG 4.18Å; F14-L18 WeakPolarHBondContact O-CG 3.11Å; F14-L18 PolarHBondContact O-N 3.47Å |
| 15 | R | 93.3 | Very high | 83.3 | Confident | 138 Ų | 138 | 113.1 Ų | 113.1 | 52% | 0.521 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -57.4 | -51.1 | 173.8 | -179 | -175.5 | 174.7 | 148.7 | 7 | 111.5 | R11 E12 Y17 L18 E19 | R11-R15 PolarHBondContact O-N 2.87Å; E12-R15 PolarHBondContact O-N 3.22Å; R15-Y17 PolarHBondContact O-N 2.91Å; R15-L18 PolarHBondContact O-N 3.48Å; R15-L18 VanDerWaalsContact O-N 3.13Å; R15-E19 IonicContact CZ-OE1 3.54Å; R15-E19 IonicContact NE-OE1 2.79Å; R15-E19 PolarHBondContact NE-OE1 2.94Å; R15-E19 IonicContact NH2-OE1 3.41Å; R15-E19 PolarHBondContact NH2-OE1 3.05Å; R15-E19 WeakPolarHBondContact O-CG 3.47Å; R15-E19 PolarHBondContact O-N 2.85Å |
| 16 | R | 93.9 | Very high | 84.9 | Confident | 163 Ų | 163 | 105 Ų | 105 | 62% | 0.615 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -34.2 | 177.9 | -73.5 | -172.8 | -178.8 | -155.5 | -1.4 | 112.8 | E12 Q13 K20 | E12-R16 WeakPolarHBondContact O-CG 3.44Å; E12-R16 PolarHBondContact O-N 3.3Å; E12-R16 IonicContact OE1-NE 3.96Å; Q13-R16 PolarHBondContact O-N 3.38Å; R16-K20 VanDerWaalsContact O-CB 3.22Å; R16-K20 WeakPolarHBondContact O-CB 3.38Å; R16-K20 PolarHBondContact O-N 3.3Å |
| 17 | Y | 94.8 | Very high | 86.8 | Confident | 148 Ų | 148 | 104.6 Ų | 104.6 | 58% | 0.58 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.4 | -49.6 | 173.4 | 166.5 | -101.7 | 0 | 0 | 0 | 110.9 | Q13 F14 R15 E19 K20 S21 | Q13-Y17 WeakPolarHBondContact O-CB 3.36Å; Q13-Y17 PolarHBondContact O-N 3.29Å; F14-Y17 HydrophobicContact CD2-CD1 4.31Å; F14-Y17 HydrophobicContact CE2-CD1 4.27Å; F14-Y17 WeakPolarHBondContact O-CB 3.41Å; F14-Y17 PolarHBondContact O-N 2.97Å; R15-Y17 PolarHBondContact O-N 2.91Å; Y17-E19 VanDerWaalsContact C-N 3.33Å; Y17-E19 PolarHBondContact O-N 2.97Å; Y17-K20 PolarHBondContact O-N 2.97Å; Y17-S21 WeakPolarHBondContact O-CB 3.43Å; Y17-S21 PolarHBondContact O-N 3.3Å; Y17-S21 PolarHBondContact O-OG 3.27Å; Y17-S21 VanDerWaalsContact O-OG 3.09Å |
| 18 | L | 94.5 | Very high | 88.6 | Confident | 37 Ų | 37 | 104 Ų | 104 | 19% | 0.194 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -63.9 | -36.4 | 178.4 | -64.7 | -179.3 | 0 | 0 | 0 | 113 | F14 R15 S21 G22 V23 L24 | F14-L18 HydrophobicContact CD1-CD1 4.06Å; F14-L18 HydrophobicContact CD1-CG 4.48Å; F14-L18 HydrophobicContact CE1-CD1 3.61Å; F14-L18 HydrophobicContact CE1-CG 4.17Å; F14-L18 HydrophobicContact CE2-CD2 4.4Å; F14-L18 HydrophobicContact CZ-CD1 4.01Å; F14-L18 HydrophobicContact CZ-CD2 4.1Å; F14-L18 HydrophobicContact CZ-CG 4.18Å; F14-L18 WeakPolarHBondContact O-CG 3.11Å; F14-L18 PolarHBondContact O-N 3.47Å; R15-L18 PolarHBondContact O-N 3.48Å; R15-L18 VanDerWaalsContact O-N 3.13Å; L18-S21 WeakPolarHBondContact CA-OG 3.27Å; L18-S21 PolarHBondContact O-OG 3.27Å; L18-G22 PolarHBondContact O-N 2.89Å; L18-V23 HydrophobicContact CB-CB 4.35Å; L18-V23 HydrophobicContact CD2-CB 4.09Å; L18-V23 HydrophobicContact CD2-CG1 4.04Å; L18-V23 HydrophobicContact CD2-CG2 4.28Å; L18-V23 PolarHBondContact O-N 3.19Å; L18-L24 HydrophobicContact CB-CD2 4.08Å; L18-L24 HydrophobicContact CB-CG 4.01Å; L18-L24 HydrophobicContact CD1-CD2 4.3Å; L18-L24 PolarHBondContact O-N 3.39Å |
| 19 | E | 90.7 | Very high | 90.2 | Very high | 77 Ų | 77 | 101.4 Ų | 101.4 | 36% | 0.36 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.5 | -51 | 172.3 | -74.7 | 171 | -177.8 | 0 | 0 | 110.6 | R15 Y17 S21 G22 L24 | R15-E19 IonicContact CZ-OE1 3.54Å; R15-E19 IonicContact NE-OE1 2.79Å; R15-E19 PolarHBondContact NE-OE1 2.94Å; R15-E19 IonicContact NH2-OE1 3.41Å; R15-E19 PolarHBondContact NH2-OE1 3.05Å; R15-E19 WeakPolarHBondContact O-CG 3.47Å; R15-E19 PolarHBondContact O-N 2.85Å; Y17-E19 VanDerWaalsContact C-N 3.33Å; Y17-E19 PolarHBondContact O-N 2.97Å; E19-S21 VanDerWaalsContact C-N 3.29Å; E19-S21 PolarHBondContact O-N 2.91Å; E19-G22 PolarHBondContact O-N 3.45Å; E19-G22 VanDerWaalsContact O-N 3.09Å; E19-L24 HydrophobicContact CG-CD1 3.4Å; E19-L24 VanDerWaalsContact CG-CD1 3.4Å; E19-L24 HydrophobicContact CG-CG 4.21Å |
| 20 | K | 89.8 | Confident | 90.9 | Very high | 195 Ų | 195 | 97.6 Ų | 97.6 | 85% | 0.848 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -64.6 | -32.5 | -178.9 | -174.1 | 178.5 | 177.6 | -174.4 | 0 | 112.7 | R16 Y17 G22 | R16-K20 VanDerWaalsContact O-CB 3.22Å; R16-K20 WeakPolarHBondContact O-CB 3.38Å; R16-K20 PolarHBondContact O-N 3.3Å; Y17-K20 PolarHBondContact O-N 2.97Å; K20-G22 VanDerWaalsContact C-N 3.27Å |
| 21 | S | 87.4 | Confident | 91.2 | Very high | 57 Ų | 57 | 94.1 Ų | 94.1 | 40% | 0.399 | 45% | 0.452 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.3 | 0.3 | 177.6 | 69 | 0 | 0 | 0 | 0 | 113.5 | Y17 L18 E19 V23 | Y17-S21 WeakPolarHBondContact O-CB 3.43Å; Y17-S21 PolarHBondContact O-N 3.3Å; Y17-S21 PolarHBondContact O-OG 3.27Å; Y17-S21 VanDerWaalsContact O-OG 3.09Å; L18-S21 WeakPolarHBondContact CA-OG 3.27Å; L18-S21 PolarHBondContact O-OG 3.27Å; E19-S21 VanDerWaalsContact C-N 3.29Å; E19-S21 PolarHBondContact O-N 2.91Å; S21-V23 PolarHBondContact O-N 2.95Å; S21-V23 VanDerWaalsContact OG-CG2 3.3Å; S21-V23 WeakPolarHBondContact OG-CG2 3.35Å |
| 22 | G | 87.8 | Confident | 91.3 | Very high | 21 Ų | 21 | 86.9 Ų | 86.9 | 22% | 0.216 | 43% | 0.432 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.6 | 9.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115 | L18 E19 K20 L24 D25 S26 | L18-G22 PolarHBondContact O-N 2.89Å; E19-G22 PolarHBondContact O-N 3.45Å; E19-G22 VanDerWaalsContact O-N 3.09Å; K20-G22 VanDerWaalsContact C-N 3.27Å; G22-L24 VanDerWaalsContact C-N 3.3Å; G22-L24 PolarHBondContact O-N 3.42Å; G22-D25 PolarHBondContact O-N 3.44Å; G22-S26 PolarHBondContact O-N 2.88Å; G22-S26 PolarHBondContact O-OG 2.84Å |
| 23 | V | 90.1 | Very high | 91.2 | Very high | 58 Ų | 58 | 84.5 Ų | 84.5 | 35% | 0.352 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -64.9 | -39 | -179.1 | 169.1 | 0 | 0 | 0 | 0 | 110.6 | L18 S21 L27 | L18-V23 HydrophobicContact CB-CB 4.35Å; L18-V23 HydrophobicContact CD2-CB 4.09Å; L18-V23 HydrophobicContact CD2-CG1 4.04Å; L18-V23 HydrophobicContact CD2-CG2 4.28Å; L18-V23 PolarHBondContact O-N 3.19Å; S21-V23 PolarHBondContact O-N 2.95Å; S21-V23 VanDerWaalsContact OG-CG2 3.3Å; S21-V23 WeakPolarHBondContact OG-CG2 3.35Å; V23-L27 HydrophobicContact CG1-CD1 3.9Å; V23-L27 HydrophobicContact CG1-CG 4.44Å; V23-L27 WeakPolarHBondContact O-CB 3.24Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.29Å; V23-L27 PolarHBondContact O-N 3.45Å |
| 24 | L | 90.4 | Very high | 91.2 | Very high | 54 Ų | 54 | 79.5 Ų | 79.5 | 28% | 0.283 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -67.6 | -38.6 | 177.6 | -62.3 | -164.8 | 0 | 0 | 0 | 112.1 | L18 E19 G22 T28 | L18-L24 HydrophobicContact CB-CD2 4.08Å; L18-L24 HydrophobicContact CB-CG 4.01Å; L18-L24 HydrophobicContact CD1-CD2 4.3Å; L18-L24 PolarHBondContact O-N 3.39Å; E19-L24 HydrophobicContact CG-CD1 3.4Å; E19-L24 VanDerWaalsContact CG-CD1 3.4Å; E19-L24 HydrophobicContact CG-CG 4.21Å; G22-L24 VanDerWaalsContact C-N 3.3Å; G22-L24 PolarHBondContact O-N 3.42Å; L24-T28 VanDerWaalsContact O-CB 3.31Å; L24-T28 WeakPolarHBondContact O-CB 3.42Å; L24-T28 PolarHBondContact O-N 3.06Å; L24-T28 PolarHBondContact O-OG1 2.95Å |
| 25 | D | 87.8 | Confident | 91.2 | Very high | 111 Ų | 111 | 82.5 Ų | 82.5 | 59% | 0.594 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -65.2 | -44.7 | 176.8 | -64.9 | -67.4 | 0 | 0 | 0 | 111.2 | G22 T28 S29 | G22-D25 PolarHBondContact O-N 3.44Å; D25-T28 PolarHBondContact O-N 3.46Å; D25-S29 WeakPolarHBondContact O-CB 3.45Å; D25-S29 PolarHBondContact O-N 3.31Å |
| 26 | S | 89.3 | Confident | 91.1 | Very high | 43 Ų | 43 | 82.7 Ų | 82.7 | 30% | 0.301 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -62.6 | -44.6 | 176.1 | -64 | 0 | 0 | 0 | 0 | 112.7 | G22 T28 S29 V30 | G22-S26 PolarHBondContact O-N 2.88Å; G22-S26 PolarHBondContact O-OG 2.84Å; S26-T28 VanDerWaalsContact C-N 3.31Å; S26-T28 PolarHBondContact O-N 2.94Å; S26-S29 PolarHBondContact O-N 3.28Å; S26-V30 PolarHBondContact O-N 3.41Å; S26-V30 VanDerWaalsContact O-N 3.08Å |
| 27 | L | 91.9 | Very high | 91 | Very high | 68 Ų | 68 | 78.3 Ų | 78.3 | 36% | 0.356 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -41.7 | 174.9 | -75.3 | 168.9 | 0 | 0 | 0 | 111.4 | V23 L31 L52 | V23-L27 HydrophobicContact CG1-CD1 3.9Å; V23-L27 HydrophobicContact CG1-CG 4.44Å; V23-L27 WeakPolarHBondContact O-CB 3.24Å; V23-L27 VanDerWaalsContact O-CG 3.3Å; V23-L27 WeakPolarHBondContact O-CG 3.29Å; V23-L27 PolarHBondContact O-N 3.45Å; L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.4Å; L27-L31 VanDerWaalsContact O-N 3.09Å; L27-L52 HydrophobicContact CD2-CD1 3.76Å; L27-L52 HydrophobicContact CD2-CD2 3.9Å; L27-L52 HydrophobicContact CG-CD1 4.43Å |
| 28 | T | 91.5 | Very high | 90.4 | Very high | 80 Ų | 80 | 76.8 Ų | 76.8 | 49% | 0.491 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -63.9 | -44.4 | 177.9 | -57.5 | 0 | 0 | 0 | 0 | 110.7 | L24 D25 S26 V30 L31 V32 | L24-T28 VanDerWaalsContact O-CB 3.31Å; L24-T28 WeakPolarHBondContact O-CB 3.42Å; L24-T28 PolarHBondContact O-N 3.06Å; L24-T28 PolarHBondContact O-OG1 2.95Å; D25-T28 PolarHBondContact O-N 3.46Å; S26-T28 VanDerWaalsContact C-N 3.31Å; S26-T28 PolarHBondContact O-N 2.94Å; T28-V30 PolarHBondContact O-N 3.44Å; T28-L31 PolarHBondContact O-N 2.86Å; T28-V32 HydrophobicContact CG2-CG2 4.39Å; T28-V32 VanDerWaalsContact O-CG2 3.31Å; T28-V32 WeakPolarHBondContact O-CG2 3.36Å; T28-V32 PolarHBondContact O-N 3Å |
| 29 | S | 90.1 | Very high | 90.2 | Very high | 70 Ų | 70 | 81.6 Ų | 81.6 | 49% | 0.49 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.8 | -47.3 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 112.3 | D25 S26 L31 V32 A33 | D25-S29 WeakPolarHBondContact O-CB 3.45Å; D25-S29 PolarHBondContact O-N 3.31Å; S26-S29 PolarHBondContact O-N 3.28Å; S29-L31 VanDerWaalsContact C-N 3.33Å; S29-L31 PolarHBondContact O-N 3.01Å; S29-V32 PolarHBondContact O-N 3.38Å; S29-A33 PolarHBondContact O-N 3.05Å |
| 30 | V | 92 | Very high | 90.1 | Very high | 4 Ų | 4 | 83.4 Ų | 83.4 | 2% | 0.024 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -63.7 | -38.2 | 177.4 | 173.1 | 0 | 0 | 0 | 0 | 112 | S26 T28 A33 L34 I48 H51 L52 V55 | S26-V30 PolarHBondContact O-N 3.41Å; S26-V30 VanDerWaalsContact O-N 3.08Å; T28-V30 PolarHBondContact O-N 3.44Å; V30-A33 PolarHBondContact O-N 3.43Å; V30-L34 WeakPolarHBondContact O-CB 3.1Å; V30-L34 PolarHBondContact O-N 2.88Å; V30-I48 HydrophobicContact CG1-CB 4.42Å; V30-I48 HydrophobicContact CG1-CG1 4.22Å; V30-I48 HydrophobicContact CG1-CG2 4.28Å; V30-H51 HydrophobicContact CG1-CB 3.87Å; V30-H51 HydrophobicContact CG2-CB 4.18Å; V30-L52 HydrophobicContact CB-CD1 4.21Å; V30-L52 HydrophobicContact CG2-CD1 3.72Å; V30-V55 HydrophobicContact CG2-CG2 3.93Å |
| 31 | L | 92.6 | Very high | 90.1 | Very high | 98 Ų | 98 | 76.2 Ų | 76.2 | 51% | 0.513 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -68.6 | -36.5 | 176.6 | -70.6 | 173.8 | 0 | 0 | 0 | 112.3 | L27 T28 S29 Y35 I48 | L27-L31 VanDerWaalsContact O-CG 3.27Å; L27-L31 WeakPolarHBondContact O-CG 3.42Å; L27-L31 PolarHBondContact O-N 3.4Å; L27-L31 VanDerWaalsContact O-N 3.09Å; T28-L31 PolarHBondContact O-N 2.86Å; S29-L31 VanDerWaalsContact C-N 3.33Å; S29-L31 PolarHBondContact O-N 3.01Å; L31-Y35 WeakPolarHBondContact O-CB 3.5Å; L31-Y35 PolarHBondContact O-N 3.43Å; L31-I48 HydrophobicContact CD2-CD1 4.11Å |
| 32 | V | 90.9 | Very high | 90.1 | Very high | 65 Ų | 65 | 82.2 Ų | 82.2 | 39% | 0.394 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.1 | -47 | 173.2 | 171 | 0 | 0 | 0 | 0 | 110.2 | T28 S29 L34 Y35 E36 | T28-V32 HydrophobicContact CG2-CG2 4.39Å; T28-V32 VanDerWaalsContact O-CG2 3.31Å; T28-V32 WeakPolarHBondContact O-CG2 3.36Å; T28-V32 PolarHBondContact O-N 3Å; S29-V32 PolarHBondContact O-N 3.38Å; V32-L34 VanDerWaalsContact C-N 3.33Å; V32-L34 PolarHBondContact O-N 2.91Å; V32-Y35 CarbonylContact O-C 3.44Å; V32-Y35 WeakPolarHBondContact O-CA 3.49Å; V32-Y35 WeakPolarHBondContact O-CB 3.33Å; V32-Y35 PolarHBondContact O-N 3.31Å; V32-E36 HydrophobicContact CG1-CG 4.25Å; V32-E36 WeakPolarHBondContact O-CG 3.5Å; V32-E36 PolarHBondContact O-N 2.99Å |
| 33 | A | 90.4 | Very high | 90.3 | Very high | 34 Ų | 34 | 85.6 Ų | 85.6 | 28% | 0.281 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.8 | -47 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | S29 V30 Y35 E36 E37 | S29-A33 PolarHBondContact O-N 3.05Å; V30-A33 PolarHBondContact O-N 3.43Å; A33-Y35 VanDerWaalsContact C-N 3.26Å; A33-Y35 PolarHBondContact O-N 3.09Å; A33-E36 PolarHBondContact O-N 3.41Å; A33-E37 PolarHBondContact O-N 3.01Å |
| 34 | L | 93.1 | Very high | 90.3 | Very high | 24 Ų | 24 | 84.9 Ų | 84.9 | 13% | 0.126 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62 | -33.9 | 174.9 | 179 | 61.9 | 0 | 0 | 0 | 112.4 | V30 V32 K40 P41 A44 Y47 I48 | V30-L34 WeakPolarHBondContact O-CB 3.1Å; V30-L34 PolarHBondContact O-N 2.88Å; V32-L34 VanDerWaalsContact C-N 3.33Å; V32-L34 PolarHBondContact O-N 2.91Å; L34-K40 PolarHBondContact O-NZ 3.24Å; L34-P41 HydrophobicContact CD1-CG 3.6Å; L34-A44 HydrophobicContact CD2-CB 4.01Å; L34-Y47 HydrophobicContact CB-CD1 3.97Å; L34-Y47 HydrophobicContact CB-CE1 3.73Å; L34-Y47 HydrophobicContact CD1-CD1 3.69Å; L34-Y47 HydrophobicContact CD1-CD2 4.46Å; L34-Y47 HydrophobicContact CD1-CE1 4.04Å; L34-Y47 HydrophobicContact CD1-CG 3.92Å; L34-Y47 HydrophobicContact CG-CD1 4.26Å; L34-Y47 HydrophobicContact CG-CE1 4.44Å; L34-I48 HydrophobicContact CD2-CD1 3.99Å; L34-I48 HydrophobicContact CD2-CG1 4.03Å |
| 35 | Y | 92.6 | Very high | 90.3 | Very high | 187 Ų | 187 | 88.2 Ų | 88.2 | 73% | 0.733 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -72.5 | -35.6 | 176.3 | 175 | -97.2 | 0 | 0 | 0 | 112.5 | L31 V32 A33 K40 | L31-Y35 WeakPolarHBondContact O-CB 3.5Å; L31-Y35 PolarHBondContact O-N 3.43Å; V32-Y35 CarbonylContact O-C 3.44Å; V32-Y35 WeakPolarHBondContact O-CA 3.49Å; V32-Y35 WeakPolarHBondContact O-CB 3.33Å; V32-Y35 PolarHBondContact O-N 3.31Å; A33-Y35 VanDerWaalsContact C-N 3.26Å; A33-Y35 PolarHBondContact O-N 3.09Å; Y35-K40 PolarHBondContact O-NZ 3.18Å |
| 36 | E | 92.6 | Very high | 90.4 | Very high | 142 Ų | 142 | 87.1 Ų | 87.1 | 66% | 0.664 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -81.1 | -18.3 | 179.7 | -68.3 | -178.6 | 158.2 | 0 | 0 | 113.2 | V32 A33 P38 | V32-E36 HydrophobicContact CG1-CG 4.25Å; V32-E36 WeakPolarHBondContact O-CG 3.5Å; V32-E36 PolarHBondContact O-N 2.99Å; A33-E36 PolarHBondContact O-N 3.41Å; E36-P38 WeakPolarHBondContact O-CD 3.41Å; E36-P38 VanDerWaalsContact O-N 3.16Å |
| 37 | E | 90.9 | Very high | 90.5 | Very high | 71 Ų | 71 | 86.5 Ų | 86.5 | 33% | 0.332 | 46% | 0.464 | S | S | . | . | trans | -54.2 | 117.9 | 177.4 | -90.6 | -57.3 | 148.8 | 0 | 0 | 112.1 | A33 K40 Y47 | A33-E37 PolarHBondContact O-N 3.01Å; E37-K40 PolarHBondContact O-NZ 3.49Å; E37-Y47 HydrophobicContact CG-CE2 3.85Å; E37-Y47 WeakPolarHBondContact CG-OH 3.27Å | ||
| 38 | P | 83.3 | Confident | 90.4 | Very high | 116 Ų | 116 | 85.3 Ų | 85.3 | 75% | 0.753 | 46% | 0.458 | S | S | * | . | S | Bend | trans | -67.4 | -36.8 | -178.7 | 25.9 | -34.2 | 0 | 0 | 0 | 112 | E36 | E36-P38 WeakPolarHBondContact O-CD 3.41Å; E36-P38 VanDerWaalsContact O-N 3.16Å |
| 39 | D | 89.6 | Confident | 90.2 | Very high | 139 Ų | 139 | 88.5 Ų | 88.5 | 74% | 0.743 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -102.9 | 95.9 | 174.8 | -78.4 | -57.2 | 0 | 0 | 0 | 109.2 | ||
| 40 | K | 88.6 | Confident | 90 | Very high | 114 Ų | 114 | 89.6 Ų | 89.6 | 50% | 0.496 | 47% | 0.469 | S | S | . | . | trans | -60.9 | 127.1 | -178.3 | -69.7 | -65.4 | 177.4 | -126.5 | 0 | 110.2 | L34 Y35 E37 D42 | L34-K40 PolarHBondContact O-NZ 3.24Å; Y35-K40 PolarHBondContact O-NZ 3.18Å; E37-K40 PolarHBondContact O-NZ 3.49Å; K40-D42 PolarHBondContact O-N 2.97Å | ||
| 41 | P | 88.8 | Confident | 89.7 | Confident | 45 Ų | 45 | 92.8 Ų | 92.8 | 29% | 0.292 | 48% | 0.483 | S | S | . | . | trans | -64.8 | 137.9 | 176.9 | 26.7 | -33.7 | 0 | 0 | 0 | 109.9 | L34 N43 Y47 | L34-P41 HydrophobicContact CD1-CG 3.6Å; P41-N43 PolarHBondContact O-N 3.3Å; P41-N43 VanDerWaalsContact O-N 3.09Å; P41-Y47 HydrophobicContact CB-CD2 4.48Å; P41-Y47 HydrophobicContact CG-CD2 3.94Å; P41-Y47 HydrophobicContact CG-CG 4.03Å | ||
| 42 | D | 87.8 | Confident | 89.3 | Confident | 182 Ų | 182 | 90.6 Ų | 90.6 | 97% | 0.973 | 47% | 0.471 | S | S | * | . | S | Bend | trans | -56.5 | -28 | 175.2 | -68.9 | -42.1 | 0 | 0 | 0 | 112.1 | K40 | K40-D42 PolarHBondContact O-N 2.97Š|
| 43 | N | 91.9 | Very high | 88.5 | Confident | 92 Ų | 92 | 89.3 Ų | 89.3 | 49% | 0.492 | 47% | 0.471 | S | S | . | . | trans | -124.2 | 89.5 | 175.7 | -168.1 | -13 | 0 | 0 | 0 | 112.1 | P41 L45 D46 Y47 | P41-N43 PolarHBondContact O-N 3.3Å; P41-N43 VanDerWaalsContact O-N 3.09Å; N43-L45 PolarHBondContact O-N 2.93Å; N43-L45 WeakPolarHBondContact OD1-CB 3.29Å; N43-L45 PolarHBondContact OD1-N 2.94Å; N43-D46 HydrophobicContact CB-CB 4.16Å; N43-D46 PolarHBondContact O-N 3.45Å; N43-D46 VanDerWaalsContact O-N 3.15Å; N43-D46 PolarHBondContact OD1-N 2.91Å; N43-Y47 PolarHBondContact O-N 3.15Å | ||
| 44 | A | 90.7 | Very high | 87.4 | Confident | 44 Ų | 44 | 89.9 Ų | 89.9 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -56.8 | -32.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | L34 D46 Y47 I48 | L34-A44 HydrophobicContact CD2-CB 4.01Å; A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 3.48Å; A44-Y47 PolarHBondContact O-N 3.25Å; A44-I48 VanDerWaalsContact O-CG1 3.3Å; A44-I48 WeakPolarHBondContact O-CG1 3.41Å; A44-I48 PolarHBondContact O-N 3.46Å |
| 45 | L | 89.6 | Confident | 85.9 | Confident | 124 Ų | 124 | 91.7 Ų | 91.7 | 65% | 0.649 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.5 | -35.4 | 179.3 | -71.8 | 175.8 | 0 | 0 | 0 | 111.8 | N43 K49 | N43-L45 PolarHBondContact O-N 2.93Å; N43-L45 WeakPolarHBondContact OD1-CB 3.29Å; N43-L45 PolarHBondContact OD1-N 2.94Å; L45-K49 WeakPolarHBondContact O-CG 3.42Å; L45-K49 PolarHBondContact O-N 3.26Å; L45-K49 VanDerWaalsContact O-N 3.12Å |
| 46 | D | 90.4 | Very high | 84.3 | Confident | 87 Ų | 87 | 88 Ų | 88 | 47% | 0.465 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.7 | -42.2 | 178 | -154.1 | 50.5 | 0 | 0 | 0 | 111 | N43 A44 I48 K49 V50 | N43-D46 HydrophobicContact CB-CB 4.16Å; N43-D46 PolarHBondContact O-N 3.45Å; N43-D46 VanDerWaalsContact O-N 3.15Å; N43-D46 PolarHBondContact OD1-N 2.91Å; A44-D46 VanDerWaalsContact C-N 3.33Å; A44-D46 PolarHBondContact O-N 3.48Å; D46-I48 VanDerWaalsContact C-N 3.34Å; D46-I48 PolarHBondContact O-N 3.35Å; D46-K49 PolarHBondContact O-N 3.33Å; D46-V50 WeakPolarHBondContact O-CG2 3.47Å; D46-V50 PolarHBondContact O-N 3.5Å; D46-V50 VanDerWaalsContact O-N 3.12Å |
| 47 | Y | 90.8 | Very high | 82.4 | Confident | 30 Ų | 30 | 84.5 Ų | 84.5 | 12% | 0.118 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -53.7 | -50.2 | 172 | -177.2 | -82.7 | 0 | 0 | 0 | 111.6 | L34 E37 P41 N43 A44 K49 V50 H51 | L34-Y47 HydrophobicContact CB-CD1 3.97Å; L34-Y47 HydrophobicContact CB-CE1 3.73Å; L34-Y47 HydrophobicContact CD1-CD1 3.69Å; L34-Y47 HydrophobicContact CD1-CD2 4.46Å; L34-Y47 HydrophobicContact CD1-CE1 4.04Å; L34-Y47 HydrophobicContact CD1-CG 3.92Å; L34-Y47 HydrophobicContact CG-CD1 4.26Å; L34-Y47 HydrophobicContact CG-CE1 4.44Å; E37-Y47 HydrophobicContact CG-CE2 3.85Å; E37-Y47 WeakPolarHBondContact CG-OH 3.27Å; P41-Y47 HydrophobicContact CB-CD2 4.48Å; P41-Y47 HydrophobicContact CG-CD2 3.94Å; P41-Y47 HydrophobicContact CG-CG 4.03Å; N43-Y47 PolarHBondContact O-N 3.15Å; A44-Y47 PolarHBondContact O-N 3.25Å; Y47-K49 PolarHBondContact O-N 2.85Å; Y47-V50 PolarHBondContact O-N 2.97Å; Y47-H51 AromaticContact CD1-ND1 3.63Å; Y47-H51 AromaticContact CD2-CE1 3.44Å; Y47-H51 VanDerWaalsContact CD2-CE1 3.44Å; Y47-H51 WeakPolarHBondContact CD2-CE1 3.14Å; Y47-H51 AromaticContact CD2-ND1 3.72Å; Y47-H51 HydrophobicContact CE1-CB 4.32Å; Y47-H51 AromaticContact CE1-CD2 3.94Å; Y47-H51 AromaticContact CE1-CE1 3.82Å; Y47-H51 AromaticContact CE1-CG 3.68Å; Y47-H51 AromaticContact CE1-ND1 3.59Å; Y47-H51 AromaticContact CE2-CE1 3.14Å; Y47-H51 WeakPolarHBondContact CE2-CE1 3.39Å; Y47-H51 AromaticContact CE2-ND1 3.7Å; Y47-H51 AromaticContact CE2-NE2 3.55Å; Y47-H51 AromaticContact CG-CE1 3.92Å; Y47-H51 AromaticContact CG-ND1 3.69Å; Y47-H51 AromaticContact CZ-CD2 3.71Å; Y47-H51 AromaticContact CZ-CE1 3.35Å; Y47-H51 AromaticContact CZ-CG 3.86Å; Y47-H51 AromaticContact CZ-ND1 3.64Å; Y47-H51 AromaticContact CZ-NE2 3.4Å; Y47-H51 WeakPolarHBondContact O-CB 3.36Å; Y47-H51 PolarHBondContact O-N 3.41Å; Y47-H51 PolarHBondContact O-ND1 2.94Å; Y47-H51 PolarHBondContact OH-NE2 3.44Å |
| 48 | I | 90.3 | Very high | 80.4 | Confident | 43 Ų | 43 | 84.2 Ų | 84.2 | 22% | 0.221 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -61.2 | -43.6 | 179.7 | -67.7 | 166.3 | 0 | 0 | 0 | 110.9 | V30 L31 L34 A44 D46 V50 H51 L52 | V30-I48 HydrophobicContact CG1-CB 4.42Å; V30-I48 HydrophobicContact CG1-CG1 4.22Å; V30-I48 HydrophobicContact CG1-CG2 4.28Å; L31-I48 HydrophobicContact CD2-CD1 4.11Å; L34-I48 HydrophobicContact CD2-CD1 3.99Å; L34-I48 HydrophobicContact CD2-CG1 4.03Å; A44-I48 VanDerWaalsContact O-CG1 3.3Å; A44-I48 WeakPolarHBondContact O-CG1 3.41Å; A44-I48 PolarHBondContact O-N 3.46Å; D46-I48 VanDerWaalsContact C-N 3.34Å; D46-I48 PolarHBondContact O-N 3.35Å; I48-V50 VanDerWaalsContact C-N 3.35Å; I48-V50 PolarHBondContact O-N 3.12Å; I48-H51 PolarHBondContact O-N 3.13Å; I48-L52 WeakPolarHBondContact O-CB 3.44Å; I48-L52 PolarHBondContact O-N 3.44Å |
| 49 | K | 87.5 | Confident | 79 | Confident | 147 Ų | 147 | 86.5 Ų | 86.5 | 64% | 0.639 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -58.3 | -46.3 | 179.3 | -74.6 | 171.4 | -171.4 | 173.7 | 0 | 112.2 | L45 D46 Y47 G53 | L45-K49 WeakPolarHBondContact O-CG 3.42Å; L45-K49 PolarHBondContact O-N 3.26Å; L45-K49 VanDerWaalsContact O-N 3.12Å; D46-K49 PolarHBondContact O-N 3.33Å; Y47-K49 PolarHBondContact O-N 2.85Å; K49-G53 PolarHBondContact O-N 3.19Å; K49-G53 VanDerWaalsContact O-N 3.13Å |
| 50 | V | 86.2 | Confident | 77.2 | Confident | 94 Ų | 94 | 83.8 Ų | 83.8 | 57% | 0.57 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -67 | -49.5 | -179.3 | 175.2 | 0 | 0 | 0 | 0 | 110.6 | D46 Y47 I48 L52 G53 G54 | D46-V50 WeakPolarHBondContact O-CG2 3.47Å; D46-V50 PolarHBondContact O-N 3.5Å; D46-V50 VanDerWaalsContact O-N 3.12Å; Y47-V50 PolarHBondContact O-N 2.97Å; I48-V50 VanDerWaalsContact C-N 3.35Å; I48-V50 PolarHBondContact O-N 3.12Å; V50-L52 PolarHBondContact O-N 3.05Å; V50-G53 PolarHBondContact O-N 3.12Å; V50-G54 PolarHBondContact O-N 3.11Å |
| 51 | H | 84.9 | Confident | 75.7 | Confident | 71 Ų | 71 | 80.1 Ų | 80.1 | 33% | 0.329 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.2 | -35.2 | -175.7 | -73.2 | 73.2 | 0 | 0 | 0 | 112.3 | V30 Y47 I48 G54 V55 | V30-H51 HydrophobicContact CG1-CB 3.87Å; V30-H51 HydrophobicContact CG2-CB 4.18Å; Y47-H51 AromaticContact CD1-ND1 3.63Å; Y47-H51 AromaticContact CD2-CE1 3.44Å; Y47-H51 VanDerWaalsContact CD2-CE1 3.44Å; Y47-H51 WeakPolarHBondContact CD2-CE1 3.14Å; Y47-H51 AromaticContact CD2-ND1 3.72Å; Y47-H51 HydrophobicContact CE1-CB 4.32Å; Y47-H51 AromaticContact CE1-CD2 3.94Å; Y47-H51 AromaticContact CE1-CE1 3.82Å; Y47-H51 AromaticContact CE1-CG 3.68Å; Y47-H51 AromaticContact CE1-ND1 3.59Å; Y47-H51 AromaticContact CE2-CE1 3.14Å; Y47-H51 WeakPolarHBondContact CE2-CE1 3.39Å; Y47-H51 AromaticContact CE2-ND1 3.7Å; Y47-H51 AromaticContact CE2-NE2 3.55Å; Y47-H51 AromaticContact CG-CE1 3.92Å; Y47-H51 AromaticContact CG-ND1 3.69Å; Y47-H51 AromaticContact CZ-CD2 3.71Å; Y47-H51 AromaticContact CZ-CE1 3.35Å; Y47-H51 AromaticContact CZ-CG 3.86Å; Y47-H51 AromaticContact CZ-ND1 3.64Å; Y47-H51 AromaticContact CZ-NE2 3.4Å; Y47-H51 WeakPolarHBondContact O-CB 3.36Å; Y47-H51 PolarHBondContact O-N 3.41Å; Y47-H51 PolarHBondContact O-ND1 2.94Å; Y47-H51 PolarHBondContact OH-NE2 3.44Å; I48-H51 PolarHBondContact O-N 3.13Å; H51-G54 PolarHBondContact O-N 3.19Å; H51-V55 WeakPolarHBondContact O-CB 3.49Å; H51-V55 VanDerWaalsContact O-CG2 3.22Å; H51-V55 WeakPolarHBondContact O-CG2 3.34Å; H51-V55 PolarHBondContact O-N 3.38Å |
| 52 | L | 84.8 | Confident | 74.3 | Confident | 51 Ų | 51 | 84.5 Ų | 84.5 | 27% | 0.267 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.6 | -36.8 | 174.3 | -147.8 | 74.8 | 0 | 0 | 0 | 111.4 | L27 V30 I48 V50 V55 V56 | L27-L52 HydrophobicContact CD2-CD1 3.76Å; L27-L52 HydrophobicContact CD2-CD2 3.9Å; L27-L52 HydrophobicContact CG-CD1 4.43Å; V30-L52 HydrophobicContact CB-CD1 4.21Å; V30-L52 HydrophobicContact CG2-CD1 3.72Å; I48-L52 WeakPolarHBondContact O-CB 3.44Å; I48-L52 PolarHBondContact O-N 3.44Å; V50-L52 PolarHBondContact O-N 3.05Å; L52-V55 PolarHBondContact O-N 3.22Å; L52-V56 WeakPolarHBondContact O-CB 3.43Å; L52-V56 WeakPolarHBondContact O-CG2 3.3Å; L52-V56 PolarHBondContact O-N 3.47Å |
| 53 | G | 73.6 | Confident | 73.3 | Confident | 38 Ų | 38 | 79.9 Ų | 79.9 | 39% | 0.392 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.1 | -41 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | K49 V50 C57 | K49-G53 PolarHBondContact O-N 3.19Å; K49-G53 VanDerWaalsContact O-N 3.13Å; V50-G53 PolarHBondContact O-N 3.12Å; G53-C57 WeakPolarHBondContact O-CB 3.43Å; G53-C57 PolarHBondContact O-N 3.35Å; G53-C57 VanDerWaalsContact O-N 3.11Å; G53-C57 PolarHBondContact O-SG 2.72Å; G53-C57 VanDerWaalsContact O-SG 3.35Å |
| 54 | G | 66.9 | Low | 72.3 | Confident | 47 Ų | 47 | 80.6 Ų | 80.6 | 49% | 0.485 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -67.8 | -39.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | V50 H51 C57 G58 | V50-G54 PolarHBondContact O-N 3.11Å; H51-G54 PolarHBondContact O-N 3.19Å; G54-C57 CarbonylContact O-C 3.49Å; G54-C57 PolarHBondContact O-N 2.73Å; G54-G58 PolarHBondContact O-N 3.21Å |
| 55 | V | 63.2 | Low | 71.7 | Confident | 61 Ų | 61 | 81.4 Ų | 81.4 | 37% | 0.37 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -68.6 | -36.7 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | V30 H51 L52 C57 G58 | V30-V55 HydrophobicContact CG2-CG2 3.93Å; H51-V55 WeakPolarHBondContact O-CB 3.49Å; H51-V55 VanDerWaalsContact O-CG2 3.22Å; H51-V55 WeakPolarHBondContact O-CG2 3.34Å; H51-V55 PolarHBondContact O-N 3.38Å; L52-V55 PolarHBondContact O-N 3.22Å; V55-C57 VanDerWaalsContact C-N 3.31Å; V55-G58 PolarHBondContact O-N 2.83Å |
| 56 | V | 58.2 | Low | 71.2 | Confident | 111 Ų | 111 | 80 Ų | 80 | 67% | 0.673 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -70 | -28.7 | 174.4 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | L52 G58 | L52-V56 WeakPolarHBondContact O-CB 3.43Å; L52-V56 WeakPolarHBondContact O-CG2 3.3Å; L52-V56 PolarHBondContact O-N 3.47Å; V56-G58 VanDerWaalsContact C-N 3.33Å |
| 57 | C | 52.3 | Low | 70.9 | Confident | 67 Ų | 67 | 82.3 Ų | 82.3 | 45% | 0.453 | 48% | 0.475 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | 13.6 | 174.6 | -68.1 | 0 | 0 | 0 | 0 | 114.1 | G53 G54 V55 E59 T61 | G53-C57 WeakPolarHBondContact O-CB 3.43Å; G53-C57 PolarHBondContact O-N 3.35Å; G53-C57 VanDerWaalsContact O-N 3.11Å; G53-C57 PolarHBondContact O-SG 2.72Å; G53-C57 VanDerWaalsContact O-SG 3.35Å; G54-C57 CarbonylContact O-C 3.49Å; G54-C57 PolarHBondContact O-N 2.73Å; V55-C57 VanDerWaalsContact C-N 3.31Å; C57-E59 CarbonylContact C-O 3.54Å; C57-E59 VanDerWaalsContact O-O 3.05Å; C57-T61 HydrophobicContact CB-CG2 4.05Å |
| 58 | G | 48.5 | Very low | 70.7 | Confident | 66 Ų | 66 | 83.6 Ų | 83.6 | 68% | 0.68 | 49% | 0.492 | S | S | * | . | trans | -80.4 | -13.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | G54 V55 V56 | G54-G58 PolarHBondContact O-N 3.21Å; V55-G58 PolarHBondContact O-N 2.83Å; V56-G58 VanDerWaalsContact C-N 3.33Å | ||
| 59 | E | 54.1 | Low | 70.6 | Confident | 163 Ų | 163 | 87.1 Ų | 87.1 | 76% | 0.762 | 51% | 0.507 | S | S | * | . | S | Bend | trans | -79.3 | 141.1 | 155.1 | -78.3 | -168 | 93.7 | 0 | 0 | 107.4 | C57 T61 | C57-E59 CarbonylContact C-O 3.54Å; C57-E59 VanDerWaalsContact O-O 3.05Å; E59-T61 VanDerWaalsContact C-N 3.26Å; E59-T61 PolarHBondContact O-N 3.36Å |
| 60 | P | 51.5 | Low | 70.8 | Confident | 82 Ų | 82 | 85.3 Ų | 85.3 | 53% | 0.532 | 50% | 0.504 | S | S | . | . | trans | -55.4 | 103.3 | 172.9 | 26.2 | -33.4 | 0 | 0 | 0 | 106.1 | D62 E64 V65 | P60-D62 PolarHBondContact O-N 2.89Å; P60-E64 WeakPolarHBondContact CA-OE2 3.07Å; P60-E64 HydrophobicContact CB-CB 4.39Å; P60-V65 HydrophobicContact CB-CG2 4.06Å; P60-V65 HydrophobicContact CG-CG2 4.39Å | ||
| 61 | T | 57.2 | Low | 71.1 | Confident | 37 Ų | 37 | 83.5 Ų | 83.5 | 23% | 0.227 | 50% | 0.499 | C | S | . | . | trans | -55 | 148.6 | -176.5 | 43 | 0 | 0 | 0 | 0 | 106.6 | C57 E59 T63 E64 V65 | C57-T61 HydrophobicContact CB-CG2 4.05Å; E59-T61 VanDerWaalsContact C-N 3.26Å; E59-T61 PolarHBondContact O-N 3.36Å; T61-T63 WeakPolarHBondContact CB-OG1 3.26Å; T61-T63 CarbonylContact O-C 3.46Å; T61-T63 PolarHBondContact O-N 3.28Å; T61-T63 PolarHBondContact OG1-OG1 2.82Å; T61-E64 PolarHBondContact O-N 2.97Å; T61-V65 PolarHBondContact O-N 3.19Å | ||
| 62 | D | 60.6 | Low | 71.5 | Confident | 137 Ų | 137 | 84.5 Ų | 84.5 | 73% | 0.733 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -46 | -31.1 | 175.6 | -69.3 | -43 | 0 | 0 | 0 | 110.9 | P60 L66 | P60-D62 PolarHBondContact O-N 2.89Å; D62-L66 WeakPolarHBondContact O-CB 3.4Å; D62-L66 VanDerWaalsContact O-CD1 3.26Å; D62-L66 WeakPolarHBondContact O-CD1 3.17Å; D62-L66 WeakPolarHBondContact O-CG 3.43Å; D62-L66 PolarHBondContact O-N 2.8Å |
| 63 | T | 65.6 | Low | 72 | Confident | 85 Ų | 85 | 87.5 Ų | 87.5 | 52% | 0.521 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 171.1 | 38.5 | 0 | 0 | 0 | 0 | 116.2 | T61 Q67 | T61-T63 WeakPolarHBondContact CB-OG1 3.26Å; T61-T63 CarbonylContact O-C 3.46Å; T61-T63 PolarHBondContact O-N 3.28Å; T61-T63 PolarHBondContact OG1-OG1 2.82Å; T63-Q67 WeakPolarHBondContact O-CB 3.43Å; T63-Q67 VanDerWaalsContact O-CG 3.27Å; T63-Q67 WeakPolarHBondContact O-CG 3.22Å; T63-Q67 PolarHBondContact O-N 2.98Å |
| 64 | E | 72.1 | Confident | 73 | Confident | 107 Ų | 107 | 91.9 Ų | 91.9 | 50% | 0.5 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -71.2 | -40.7 | 175.8 | -73.3 | -177.4 | 174.9 | 0 | 0 | 111.7 | P60 T61 Q67 A68 | P60-E64 WeakPolarHBondContact CA-OE2 3.07Å; P60-E64 HydrophobicContact CB-CB 4.39Å; T61-E64 PolarHBondContact O-N 2.97Å; E64-Q67 PolarHBondContact O-N 2.83Å; E64-A68 PolarHBondContact O-N 3.38Å |
| 65 | V | 77 | Confident | 74.4 | Confident | 62 Ų | 62 | 95.3 Ų | 95.3 | 38% | 0.376 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -61.9 | -47.4 | 173.6 | -179.1 | 0 | 0 | 0 | 0 | 110.1 | P60 T61 Q67 A68 E69 | P60-V65 HydrophobicContact CB-CG2 4.06Å; P60-V65 HydrophobicContact CG-CG2 4.39Å; T61-V65 PolarHBondContact O-N 3.19Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 2.69Å; V65-A68 PolarHBondContact O-N 2.95Å; V65-E69 WeakPolarHBondContact O-CG 3.14Å; V65-E69 PolarHBondContact O-N 2.7Å |
| 66 | L | 79.8 | Confident | 75.9 | Confident | 95 Ų | 95 | 98.4 Ų | 98.4 | 50% | 0.497 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -60.9 | -36.5 | 176.1 | -78.8 | 163.6 | 0 | 0 | 0 | 112.4 | D62 L70 | D62-L66 WeakPolarHBondContact O-CB 3.4Å; D62-L66 VanDerWaalsContact O-CD1 3.26Å; D62-L66 WeakPolarHBondContact O-CD1 3.17Å; D62-L66 WeakPolarHBondContact O-CG 3.43Å; D62-L66 PolarHBondContact O-N 2.8Å; L66-L70 WeakPolarHBondContact O-CB 3.15Å; L66-L70 WeakPolarHBondContact O-CG 3.2Å; L66-L70 PolarHBondContact O-N 2.93Å |
| 67 | Q | 84.3 | Confident | 77.7 | Confident | 134 Ų | 134 | 99 Ų | 99 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -67.1 | -41.7 | 175.1 | -81.9 | 179.7 | 39.5 | 0 | 0 | 112 | T63 E64 V65 L70 A71 | T63-Q67 WeakPolarHBondContact O-CB 3.43Å; T63-Q67 VanDerWaalsContact O-CG 3.27Å; T63-Q67 WeakPolarHBondContact O-CG 3.22Å; T63-Q67 PolarHBondContact O-N 2.98Å; E64-Q67 PolarHBondContact O-N 2.83Å; V65-Q67 VanDerWaalsContact C-N 3.3Å; V65-Q67 PolarHBondContact O-N 2.69Å; Q67-L70 PolarHBondContact O-N 3.32Å; Q67-A71 PolarHBondContact O-N 3.44Å |
| 68 | A | 85.9 | Confident | 79.7 | Confident | 57 Ų | 57 | 100 Ų | 100 | 47% | 0.471 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.5 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E64 V65 L70 A71 D72 | E64-A68 PolarHBondContact O-N 3.38Å; V65-A68 PolarHBondContact O-N 2.95Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 3.35Å; A68-A71 PolarHBondContact O-N 3.3Å; A68-D72 PolarHBondContact O-N 3.33Å |
| 69 | E | 89.4 | Confident | 81.9 | Confident | 117 Ų | 117 | 101.5 Ų | 101.5 | 55% | 0.547 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62 | -40.2 | 176 | -72.7 | -176.4 | 175.4 | 0 | 0 | 112.5 | V65 D72 L73 | V65-E69 WeakPolarHBondContact O-CG 3.14Å; V65-E69 PolarHBondContact O-N 2.7Å; E69-D72 PolarHBondContact O-N 2.68Å; E69-L73 VanDerWaalsContact O-CB 3.29Å; E69-L73 WeakPolarHBondContact O-CB 3.43Å; E69-L73 PolarHBondContact O-N 2.89Å |
| 70 | L | 90.4 | Very high | 83.8 | Confident | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -46.6 | 174.2 | -87.1 | 173.1 | 0 | 0 | 0 | 111.3 | L66 Q67 A68 L73 Q74 | L66-L70 WeakPolarHBondContact O-CB 3.15Å; L66-L70 WeakPolarHBondContact O-CG 3.2Å; L66-L70 PolarHBondContact O-N 2.93Å; Q67-L70 PolarHBondContact O-N 3.32Å; A68-L70 VanDerWaalsContact C-N 3.35Å; A68-L70 PolarHBondContact O-N 3.35Å; L70-L73 PolarHBondContact O-N 3.23Å; L70-Q74 WeakPolarHBondContact O-CB 3.43Å; L70-Q74 PolarHBondContact O-N 3.5Å |
| 71 | A | 92.3 | Very high | 85.9 | Confident | 55 Ų | 55 | 100.2 Ų | 100.2 | 46% | 0.455 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.6 | -46.1 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q67 A68 L73 Q74 Q75 | Q67-A71 PolarHBondContact O-N 3.44Å; A68-A71 PolarHBondContact O-N 3.3Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 2.86Å; A71-Q74 PolarHBondContact O-N 2.99Å; A71-Q75 PolarHBondContact O-N 3.47Å |
| 72 | D | 94.2 | Very high | 87.6 | Confident | 93 Ų | 93 | 104.3 Ų | 104.3 | 50% | 0.497 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.7 | -42.9 | 176.3 | -87.4 | 4.1 | 0 | 0 | 0 | 112.2 | A68 E69 Q75 K76 | A68-D72 PolarHBondContact O-N 3.33Å; E69-D72 PolarHBondContact O-N 2.68Å; D72-Q75 PolarHBondContact O-N 2.9Å; D72-K76 WeakPolarHBondContact O-CG 3.36Å; D72-K76 PolarHBondContact O-N 3.23Å |
| 73 | L | 94.7 | Very high | 89.2 | Confident | 114 Ų | 114 | 103.2 Ų | 103.2 | 60% | 0.597 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -68.3 | -38.7 | 179.3 | -168.5 | 63.6 | 0 | 0 | 0 | 111.5 | E69 L70 A71 K76 F77 | E69-L73 VanDerWaalsContact O-CB 3.29Å; E69-L73 WeakPolarHBondContact O-CB 3.43Å; E69-L73 PolarHBondContact O-N 2.89Å; L70-L73 PolarHBondContact O-N 3.23Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 2.86Å; L73-K76 PolarHBondContact O-N 2.89Å; L73-F77 WeakPolarHBondContact O-CB 3.39Å; L73-F77 PolarHBondContact O-N 3.41Å |
| 74 | Q | 95.4 | Very high | 90.5 | Very high | 129 Ų | 129 | 103.1 Ų | 103.1 | 60% | 0.603 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -64.8 | -40.8 | 175.9 | -133.8 | 170.1 | -13.6 | 0 | 0 | 111.4 | L70 A71 F77 N78 | L70-Q74 WeakPolarHBondContact O-CB 3.43Å; L70-Q74 PolarHBondContact O-N 3.5Å; A71-Q74 PolarHBondContact O-N 2.99Å; Q74-F77 PolarHBondContact O-N 3.23Å; Q74-N78 VanDerWaalsContact O-CG 3.24Å; Q74-N78 PolarHBondContact O-N 3.48Å; Q74-N78 PolarHBondContact O-ND2 3.35Å |
| 75 | Q | 95.7 | Very high | 91.5 | Very high | 120 Ų | 120 | 104.7 Ų | 104.7 | 56% | 0.561 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | 174.2 | -177.7 | 178.5 | -10.3 | 0 | 0 | 111.4 | A71 D72 F77 N78 L79 | A71-Q75 PolarHBondContact O-N 3.47Å; D72-Q75 PolarHBondContact O-N 2.9Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 3.09Å; Q75-N78 PolarHBondContact O-N 3.08Å; Q75-L79 HydrophobicContact CG-CD1 4.32Å; Q75-L79 WeakPolarHBondContact O-CG 3.42Å; Q75-L79 PolarHBondContact O-N 3.46Å |
| 76 | K | 95.2 | Very high | 92.2 | Very high | 125 Ų | 125 | 106.5 Ų | 106.5 | 54% | 0.543 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -59.3 | -44.8 | 176.1 | -74.8 | 171.4 | -177.2 | 163.8 | 0 | 111.5 | D72 L73 N78 L79 L80 | D72-K76 WeakPolarHBondContact O-CG 3.36Å; D72-K76 PolarHBondContact O-N 3.23Å; L73-K76 PolarHBondContact O-N 2.89Å; K76-N78 VanDerWaalsContact C-N 3.32Å; K76-N78 PolarHBondContact O-N 2.84Å; K76-L79 PolarHBondContact O-N 3.47Å; K76-L80 WeakPolarHBondContact O-CB 3.42Å; K76-L80 WeakPolarHBondContact O-CD1 3.42Å; K76-L80 PolarHBondContact O-N 3Å |
| 77 | F | 95.1 | Very high | 92.8 | Very high | 123 Ų | 123 | 106.1 Ų | 106.1 | 54% | 0.539 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -58.6 | -44.2 | 178.1 | 179.3 | -96.7 | 0 | 0 | 0 | 112 | L73 Q74 Q75 L80 M81 | L73-F77 WeakPolarHBondContact O-CB 3.39Å; L73-F77 PolarHBondContact O-N 3.41Å; Q74-F77 PolarHBondContact O-N 3.23Å; Q75-F77 VanDerWaalsContact C-N 3.33Å; Q75-F77 PolarHBondContact O-N 3.09Å; F77-L80 PolarHBondContact O-N 3.24Å; F77-M81 HydrophobicContact CD1-CG 4.47Å; F77-M81 HydrophobicContact CE1-CE 3.82Å; F77-M81 HydrophobicContact CE1-CG 3.93Å; F77-M81 HydrophobicContact CE1-SD 4.09Å; F77-M81 HydrophobicContact CZ-CE 4.49Å; F77-M81 HydrophobicContact CZ-CG 3.94Å; F77-M81 HydrophobicContact CZ-SD 4.18Å; F77-M81 WeakPolarHBondContact O-CB 3.3Å; F77-M81 PolarHBondContact O-N 2.69Å |
| 78 | N | 94.4 | Very high | 93 | Very high | 88 Ų | 88 | 107.7 Ų | 107.7 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -45.1 | 178.2 | -70.7 | -22.7 | 0 | 0 | 0 | 112.1 | Q74 Q75 K76 M81 E82 | Q74-N78 VanDerWaalsContact O-CG 3.24Å; Q74-N78 PolarHBondContact O-N 3.48Å; Q74-N78 PolarHBondContact O-ND2 3.35Å; Q75-N78 PolarHBondContact O-N 3.08Å; K76-N78 VanDerWaalsContact C-N 3.32Å; K76-N78 PolarHBondContact O-N 2.84Å; N78-M81 PolarHBondContact O-N 2.91Å; N78-E82 PolarHBondContact O-N 3Å |
| 79 | L | 94.9 | Very high | 93.1 | Very high | 98 Ų | 98 | 108.8 Ų | 108.8 | 51% | 0.513 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60.1 | -46.9 | 176.2 | -70.5 | 171.5 | 0 | 0 | 0 | 111.6 | Q75 K76 M81 E82 E83 | Q75-L79 HydrophobicContact CG-CD1 4.32Å; Q75-L79 WeakPolarHBondContact O-CG 3.42Å; Q75-L79 PolarHBondContact O-N 3.46Å; K76-L79 PolarHBondContact O-N 3.47Å; L79-M81 VanDerWaalsContact C-N 3.33Å; L79-M81 PolarHBondContact O-N 3.24Å; L79-E82 PolarHBondContact O-N 3.28Å; L79-E83 WeakPolarHBondContact O-CB 3.43Å; L79-E83 PolarHBondContact O-N 3.42Å |
| 80 | L | 94.8 | Very high | 93 | Very high | 111 Ų | 111 | 108.1 Ų | 108.1 | 58% | 0.581 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.9 | -38.4 | 177.6 | -91.4 | 78.9 | 0 | 0 | 0 | 111.8 | K76 F77 N84 | K76-L80 WeakPolarHBondContact O-CB 3.42Å; K76-L80 WeakPolarHBondContact O-CD1 3.42Å; K76-L80 PolarHBondContact O-N 3Å; F77-L80 PolarHBondContact O-N 3.24Å; L80-N84 VanDerWaalsContact O-CB 3.24Å; L80-N84 WeakPolarHBondContact O-CB 3.27Å; L80-N84 PolarHBondContact O-N 3.46Å |
| 81 | M | 94 | Very high | 92.7 | Very high | 108 Ų | 108 | 108.7 Ų | 108.7 | 53% | 0.532 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.2 | -42.4 | 175.2 | -96.8 | -135.4 | -59 | 0 | 0 | 112.1 | F77 N78 L79 N84 K85 | F77-M81 HydrophobicContact CD1-CG 4.47Å; F77-M81 HydrophobicContact CE1-CE 3.82Å; F77-M81 HydrophobicContact CE1-CG 3.93Å; F77-M81 HydrophobicContact CE1-SD 4.09Å; F77-M81 HydrophobicContact CZ-CE 4.49Å; F77-M81 HydrophobicContact CZ-CG 3.94Å; F77-M81 HydrophobicContact CZ-SD 4.18Å; F77-M81 WeakPolarHBondContact O-CB 3.3Å; F77-M81 PolarHBondContact O-N 2.69Å; N78-M81 PolarHBondContact O-N 2.91Å; L79-M81 VanDerWaalsContact C-N 3.33Å; L79-M81 PolarHBondContact O-N 3.24Å; M81-N84 PolarHBondContact O-N 2.97Å; M81-K85 WeakPolarHBondContact O-CB 3.31Å; M81-K85 PolarHBondContact O-N 3.35Å |
| 82 | E | 94.3 | Very high | 92.1 | Very high | 122 Ų | 122 | 111.6 Ų | 111.6 | 57% | 0.57 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66 | -46.3 | 178.9 | -169.6 | 162.3 | -148.2 | 0 | 0 | 111.1 | N78 L79 N84 K85 E86 | N78-E82 PolarHBondContact O-N 3Å; L79-E82 PolarHBondContact O-N 3.28Å; E82-N84 VanDerWaalsContact C-N 3.35Å; E82-N84 PolarHBondContact O-N 3.27Å; E82-K85 WeakPolarHBondContact O-CB 3.31Å; E82-K85 PolarHBondContact O-N 3.27Å; E82-E86 PolarHBondContact O-N 3.33Å |
| 83 | E | 93.5 | Very high | 91.2 | Very high | 114 Ų | 114 | 114.5 Ų | 114.5 | 53% | 0.533 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -60 | -43.9 | 174.1 | -173.8 | 179.2 | -166.8 | 0 | 0 | 111.6 | L79 K85 E86 L87 | L79-E83 WeakPolarHBondContact O-CB 3.43Å; L79-E83 PolarHBondContact O-N 3.42Å; E83-K85 VanDerWaalsContact C-N 3.3Å; E83-K85 PolarHBondContact O-N 3.09Å; E83-E86 PolarHBondContact O-N 2.92Å; E83-L87 HydrophobicContact CG-CD1 3.99Å; E83-L87 HydrophobicContact CG-CG 4.33Å; E83-L87 WeakPolarHBondContact O-CB 3.3Å; E83-L87 VanDerWaalsContact O-CG 3.29Å; E83-L87 WeakPolarHBondContact O-CG 3.38Å; E83-L87 PolarHBondContact O-N 3.26Å |
| 84 | N | 93 | Very high | 90 | Very high | 84 Ų | 84 | 118.3 Ų | 118.3 | 45% | 0.449 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -61.9 | -40.9 | 177.6 | -157.1 | -73 | 0 | 0 | 0 | 111.4 | L80 M81 E82 L87 R88 | L80-N84 VanDerWaalsContact O-CB 3.24Å; L80-N84 WeakPolarHBondContact O-CB 3.27Å; L80-N84 PolarHBondContact O-N 3.46Å; M81-N84 PolarHBondContact O-N 2.97Å; E82-N84 VanDerWaalsContact C-N 3.35Å; E82-N84 PolarHBondContact O-N 3.27Å; N84-L87 PolarHBondContact O-N 2.87Å; N84-R88 WeakPolarHBondContact O-CB 3.47Å; N84-R88 VanDerWaalsContact O-CG 3.27Å; N84-R88 WeakPolarHBondContact O-CG 3.22Å; N84-R88 PolarHBondContact O-N 3.44Å; N84-R88 WeakPolarHBondContact OD1-CD 3.4Å; N84-R88 PolarHBondContact OD1-NE 3.09Å |
| 85 | K | 93.6 | Very high | 88.2 | Confident | 140 Ų | 140 | 119.4 Ų | 119.4 | 61% | 0.609 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -62.7 | -44.9 | 175.2 | -177.3 | -175.9 | 176.6 | -173.4 | 0 | 111.2 | M81 E82 E83 R88 N89 | M81-K85 WeakPolarHBondContact O-CB 3.31Å; M81-K85 PolarHBondContact O-N 3.35Å; E82-K85 WeakPolarHBondContact O-CB 3.31Å; E82-K85 PolarHBondContact O-N 3.27Å; E83-K85 VanDerWaalsContact C-N 3.3Å; E83-K85 PolarHBondContact O-N 3.09Å; K85-R88 PolarHBondContact O-N 3.33Å; K85-N89 WeakPolarHBondContact O-CB 3.48Å; K85-N89 VanDerWaalsContact O-CG 3.28Å; K85-N89 PolarHBondContact O-N 3Å; K85-N89 PolarHBondContact O-ND2 3.33Å |
| 86 | E | 92.3 | Very high | 86.1 | Confident | 100 Ų | 100 | 118.9 Ų | 118.9 | 47% | 0.467 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -62.5 | -45.8 | 176 | -73.8 | -169 | -176.5 | 0 | 0 | 112.6 | E82 E83 N89 K90 | E82-E86 PolarHBondContact O-N 3.33Å; E83-E86 PolarHBondContact O-N 2.92Å; E86-N89 PolarHBondContact O-N 2.88Å; E86-K90 WeakPolarHBondContact O-CG 3.42Å; E86-K90 PolarHBondContact O-N 3.13Å; E86-K90 IonicContact OE2-NZ 3.68Å |
| 87 | L | 91.3 | Very high | 83.7 | Confident | 87 Ų | 87 | 117 Ų | 117 | 46% | 0.455 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -63.2 | -41.5 | 178.8 | -71.8 | 173.1 | 0 | 0 | 0 | 111.5 | E83 N84 K90 L91 | E83-L87 HydrophobicContact CG-CD1 3.99Å; E83-L87 HydrophobicContact CG-CG 4.33Å; E83-L87 WeakPolarHBondContact O-CB 3.3Å; E83-L87 VanDerWaalsContact O-CG 3.29Å; E83-L87 WeakPolarHBondContact O-CG 3.38Å; E83-L87 PolarHBondContact O-N 3.26Å; N84-L87 PolarHBondContact O-N 2.87Å; L87-K90 PolarHBondContact O-N 2.95Å; L87-L91 WeakPolarHBondContact O-CB 3.5Å; L87-L91 PolarHBondContact O-N 2.98Å |
| 88 | R | 88.1 | Confident | 81.5 | Confident | 166 Ų | 166 | 117.5 Ų | 117.5 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62 | -43.5 | 173.3 | -77 | 177.3 | 171.4 | -155.3 | -5.5 | 112.2 | N84 K85 K90 L91 L92 | N84-R88 WeakPolarHBondContact O-CB 3.47Å; N84-R88 VanDerWaalsContact O-CG 3.27Å; N84-R88 WeakPolarHBondContact O-CG 3.22Å; N84-R88 PolarHBondContact O-N 3.44Å; N84-R88 WeakPolarHBondContact OD1-CD 3.4Å; N84-R88 PolarHBondContact OD1-NE 3.09Å; K85-R88 PolarHBondContact O-N 3.33Å; R88-K90 VanDerWaalsContact C-N 3.32Å; R88-K90 PolarHBondContact O-N 3.23Å; R88-L91 PolarHBondContact O-N 2.92Å; R88-L92 WeakPolarHBondContact O-CG 3.39Å; R88-L92 PolarHBondContact O-N 3.41Å |
| 89 | N | 89.1 | Confident | 79.3 | Confident | 81 Ų | 81 | 121.4 Ų | 121.4 | 43% | 0.433 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.6 | -36.1 | 176 | -75.7 | -18.5 | 0 | 0 | 0 | 112.4 | K85 E86 Q93 | K85-N89 WeakPolarHBondContact O-CB 3.48Å; K85-N89 VanDerWaalsContact O-CG 3.28Å; K85-N89 PolarHBondContact O-N 3Å; K85-N89 PolarHBondContact O-ND2 3.33Å; E86-N89 PolarHBondContact O-N 2.88Å; N89-Q93 WeakPolarHBondContact O-CG 3.25Å; N89-Q93 PolarHBondContact O-N 2.79Å; N89-Q93 PolarHBondContact O-NE2 3.45Å |
| 90 | K | 87.7 | Confident | 77 | Confident | 103 Ų | 103 | 126.6 Ų | 126.6 | 45% | 0.448 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -66.7 | -47.1 | 173 | -73.5 | 167.2 | -178 | 161 | 0 | 110.5 | E86 L87 R88 L92 Q93 Y94 | E86-K90 WeakPolarHBondContact O-CG 3.42Å; E86-K90 PolarHBondContact O-N 3.13Å; E86-K90 IonicContact OE2-NZ 3.68Å; L87-K90 PolarHBondContact O-N 2.95Å; R88-K90 VanDerWaalsContact C-N 3.32Å; R88-K90 PolarHBondContact O-N 3.23Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 3.46Å; K90-Q93 WeakPolarHBondContact O-CB 3.1Å; K90-Q93 PolarHBondContact O-N 3.44Å; K90-Y94 WeakPolarHBondContact O-CD2 3.41Å; K90-Y94 PolarHBondContact O-N 3.38Å |
| 91 | L | 84 | Confident | 74.5 | Confident | 121 Ų | 121 | 124.8 Ų | 124.8 | 63% | 0.634 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -55.9 | -45.1 | 176.1 | -91.4 | 164.1 | 0 | 0 | 0 | 112.5 | L87 R88 Q93 Y94 E95 | L87-L91 WeakPolarHBondContact O-CB 3.5Å; L87-L91 PolarHBondContact O-N 2.98Å; R88-L91 PolarHBondContact O-N 2.92Å; L91-Q93 PolarHBondContact O-N 2.91Å; L91-Y94 CarbonylContact O-C 3.48Å; L91-Y94 PolarHBondContact O-N 3.06Å; L91-E95 PolarHBondContact O-N 3.12Å |
| 92 | L | 79.8 | Confident | 72 | Confident | 117 Ų | 117 | 124 Ų | 124 | 61% | 0.613 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60 | -30 | 176.1 | -80.6 | 159.2 | 0 | 0 | 0 | 113.5 | R88 K90 Y94 | R88-L92 WeakPolarHBondContact O-CG 3.39Å; R88-L92 PolarHBondContact O-N 3.41Å; K90-L92 VanDerWaalsContact C-N 3.33Å; K90-L92 PolarHBondContact O-N 3.46Å; L92-Y94 VanDerWaalsContact C-N 3.32Å |
| 93 | Q | 75.5 | Confident | 69.6 | Low | 154 Ų | 154 | 124.2 Ų | 124.2 | 72% | 0.72 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -76.6 | -21.1 | 175.2 | -72.6 | 176.6 | 88.1 | 0 | 0 | 113 | N89 K90 L91 | N89-Q93 WeakPolarHBondContact O-CG 3.25Å; N89-Q93 PolarHBondContact O-N 2.79Å; N89-Q93 PolarHBondContact O-NE2 3.45Å; K90-Q93 WeakPolarHBondContact O-CB 3.1Å; K90-Q93 PolarHBondContact O-N 3.44Å; L91-Q93 PolarHBondContact O-N 2.91Å |
| 94 | Y | 67.9 | Low | 67.2 | Low | 193 Ų | 193 | 127.5 Ų | 127.5 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -103.6 | 5.2 | 179 | -68.4 | -69.7 | 0 | 0 | 0 | 113.4 | K90 L91 L92 P96 | K90-Y94 WeakPolarHBondContact O-CD2 3.41Å; K90-Y94 PolarHBondContact O-N 3.38Å; L91-Y94 CarbonylContact O-C 3.48Å; L91-Y94 PolarHBondContact O-N 3.06Å; L92-Y94 VanDerWaalsContact C-N 3.32Å; Y94-P96 WeakPolarHBondContact O-CD 3.02Å |
| 95 | E | 58.4 | Low | 64.9 | Low | 152 Ų | 152 | 131.9 Ų | 131.9 | 71% | 0.71 | 69% | 0.687 | S | S | * | * | trans | -97.3 | 83.4 | 168.1 | -159.1 | 171.8 | -150.1 | 0 | 0 | 108.1 | L91 | L91-E95 PolarHBondContact O-N 3.12Š| ||
| 96 | P | 51 | Low | 62.9 | Low | 109 Ų | 109 | 131.2 Ų | 131.2 | 71% | 0.708 | 70% | 0.697 | S | S | * | * | trans | -66.2 | 141.5 | 171.5 | 29.2 | -33.1 | 0 | 0 | 0 | 109.1 | Y94 | Y94-P96 WeakPolarHBondContact O-CD 3.02Š| ||
| 97 | S | 46 | Very low | 60.9 | Low | 86 Ų | 86 | 135.3 Ų | 135.3 | 60% | 0.601 | 72% | 0.716 | S | S | * | * | trans | -40.2 | 135.9 | 173.6 | -169.3 | 0 | 0 | 0 | 0 | 112 | E99 | S97-E99 PolarHBondContact O-N 3.5Š| ||
| 98 | P | 48.2 | Very low | 59 | Low | 134 Ų | 134 | 134.2 Ų | 134.2 | 87% | 0.87 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -73.8 | 66.2 | 166.8 | 33.6 | -32.6 | 0 | 0 | 0 | 109.2 | ||
| 99 | E | 47.8 | Very low | 57 | Low | 169 Ų | 169 | 133 Ų | 133 | 79% | 0.79 | 74% | 0.737 | S | S | * | * | trans | -133.8 | 71.3 | 169 | -80.7 | -156.5 | 130.4 | 0 | 0 | 109.8 | S97 | S97-E99 PolarHBondContact O-N 3.5Š| ||
| 100 | E | 47 | Very low | 55 | Low | 207 Ų | 207 | 139.3 Ų | 139.3 | 97% | 0.967 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -144.4 | 85.2 | 155.4 | -112.5 | 175.1 | 180 | 0 | 0 | 107.9 | ||
| 101 | G | 41.9 | Very low | 53.4 | Low | 73 Ų | 73 | 141.1 Ų | 141.1 | 75% | 0.753 | 79% | 0.794 | S | S | * | * | trans | 167 | 32.2 | 179 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 102 | A | 42.8 | Very low | 51.8 | Low | 93 Ų | 93 | 142.2 Ų | 142.2 | 77% | 0.769 | 80% | 0.802 | S | S | * | * | trans | -106.7 | 102.5 | 164.6 | 0 | 0 | 0 | 0 | 0 | 109.3 | Q104 | A102-Q104 PolarHBondContact O-N 3.49Š| ||
| 103 | P | 42.3 | Very low | 50.2 | Low | 125 Ų | 125 | 143.6 Ų | 143.6 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -70.5 | 115 | 163 | -7.1 | 23.8 | 0 | 0 | 0 | 107.7 | Q105 | P103-Q105 PolarHBondContact O-N 3.13Š| ||
| 104 | Q | 43.1 | Very low | 48.7 | Very low | 183 Ų | 183 | 142.9 Ų | 142.9 | 86% | 0.855 | 82% | 0.818 | S | S | * | * | trans | -47.9 | 129.1 | 170.8 | -64.4 | 162.5 | -1.4 | 0 | 0 | 110.3 | A102 | A102-Q104 PolarHBondContact O-N 3.49Š| ||
| 105 | Q | 46.4 | Very low | 47.5 | Very low | 176 Ų | 176 | 139.8 Ų | 139.8 | 82% | 0.822 | 82% | 0.822 | S | S | * | * | trans | -62.2 | 139.8 | 157.6 | -67.5 | 174.5 | 2.7 | 0 | 0 | 108.6 | P103 | P103-Q105 PolarHBondContact O-N 3.13Š| ||
| 106 | P | 50.5 | Low | 46.8 | Very low | 126 Ų | 126 | 139 Ų | 139 | 82% | 0.818 | 83% | 0.83 | S | S | * | * | trans | -102 | 113.4 | 151.4 | 31 | -23.1 | 0 | 0 | 0 | 109.5 | ||||
| 107 | E | 50.4 | Low | 46.5 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 84% | 0.838 | S | S | * | * | trans | -70.8 | 134.2 | 160.7 | -76.7 | -166.9 | 123.2 | 0 | 0 | 110.4 | ||||
| 108 | G | 51.3 | Low | 46.5 | Very low | 65 Ų | 65 | 145.4 Ų | 145.4 | 67% | 0.67 | 86% | 0.856 | S | S | * | * | trans | 116.4 | 112.5 | 134.3 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 109 | V | 46.7 | Very low | 46.4 | Very low | 141 Ų | 141 | 146.3 Ų | 146.3 | 86% | 0.855 | 86% | 0.855 | S | S | * | * | trans | 67.6 | 110.8 | 136.6 | -166.6 | 0 | 0 | 0 | 0 | 119 | ||||
| 110 | V | 46.7 | Very low | 46.3 | Very low | 212 Ų | 212 | 144.3 Ų | 144.3 | 100% | 1.285 | 86% | 0.861 | S | S | * | * | -158.1 | 0 | 95.6 | -169.8 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 110 of 110 residues in 28.2 ms
(Link to these results)