| 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 | 33.3 | Very low | 47.7 | Very low | 233 Ų | 233 | 127.4 Ų | 127.4 | 100% | 1.148 | 69% | 0.692 | S | S | * | * | 0 | 106.2 | 0 | -166.7 | 179.3 | -86.2 | 0 | 0 | 106.8 | V3 | M1-V3 HydrophobicContact CG-CG2 4.43Š| |||
| 2 | N | 33.5 | Very low | 49.8 | Very low | 151 Ų | 151 | 125.6 Ų | 125.6 | 81% | 0.807 | 68% | 0.681 | S | S | * | * | trans | -100.8 | 90.8 | -170.4 | -150.3 | 6 | 0 | 0 | 0 | 108 | K4 | N2-K4 PolarHBondContact O-N 3.04Š| ||
| 3 | V | 33.6 | Very low | 51.6 | Low | 94 Ų | 94 | 121.8 Ų | 121.8 | 57% | 0.57 | 66% | 0.66 | S | S | * | * | trans | -80.2 | 100.1 | -176.5 | -172.2 | 0 | 0 | 0 | 0 | 107.9 | M1 F5 | M1-V3 HydrophobicContact CG-CG2 4.43Å; V3-F5 HydrophobicContact CB-CE2 4.41Å; V3-F5 HydrophobicContact CG1-CE2 4.13Å; V3-F5 HydrophobicContact CG1-CZ 4.12Å; V3-F5 PolarHBondContact O-N 3.34Å | ||
| 4 | K | 37.6 | Very low | 53.1 | Low | 165 Ų | 165 | 120.6 Ų | 120.6 | 72% | 0.717 | 65% | 0.648 | S | S | * | * | trans | -77.6 | 106.6 | 174.3 | -71.8 | -176.3 | 176.8 | -178 | 0 | 109.4 | N2 H6 | N2-K4 PolarHBondContact O-N 3.04Å; K4-H6 VanDerWaalsContact C-N 3.29Å; K4-H6 PolarHBondContact O-N 3.17Å | ||
| 5 | F | 43.2 | Very low | 54.4 | Low | 157 Ų | 157 | 118.3 Ų | 118.3 | 69% | 0.689 | 63% | 0.634 | S | S | * | * | trans | -78.1 | 75 | 169.9 | -67.3 | -84.1 | 0 | 0 | 0 | 110.4 | V3 | V3-F5 HydrophobicContact CB-CE2 4.41Å; V3-F5 HydrophobicContact CG1-CE2 4.13Å; V3-F5 HydrophobicContact CG1-CZ 4.12Å; V3-F5 PolarHBondContact O-N 3.34Å | ||
| 6 | H | 45.6 | Very low | 56.2 | Low | 169 Ų | 169 | 117.1 Ų | 117.1 | 78% | 0.782 | 63% | 0.626 | S | S | * | * | trans | -100.8 | 0.4 | 178.4 | -102.3 | -54.9 | 0 | 0 | 0 | 115.1 | K4 | K4-H6 VanDerWaalsContact C-N 3.29Å; K4-H6 PolarHBondContact O-N 3.17Å | ||
| 7 | G | 51.9 | Low | 57.4 | Low | 51 Ų | 51 | 117.1 Ų | 117.1 | 53% | 0.526 | 62% | 0.619 | S | S | . | * | S | Bend | trans | -100.4 | -21.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||
| 8 | N | 56.3 | Low | 58.3 | Low | 101 Ų | 101 | 115.8 Ų | 115.8 | 54% | 0.54 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -80.5 | -26 | -167 | -70.8 | -2.9 | 0 | 0 | 0 | 114.2 | L12 | N8-L12 VanDerWaalsContact O-CB 3.3Å; N8-L12 WeakPolarHBondContact O-CB 3.28Å; N8-L12 PolarHBondContact O-N 3.36Å |
| 9 | G | 57.5 | Low | 59.5 | Low | 54 Ų | 54 | 115.4 Ų | 115.4 | 56% | 0.557 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.8 | -40.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | L12 D13 | G9-L12 PolarHBondContact O-N 2.67Å; G9-D13 WeakPolarHBondContact O-CB 3.41Å; G9-D13 PolarHBondContact O-N 3.23Å |
| 10 | V | 65.1 | Low | 60.6 | Low | 113 Ų | 113 | 113.1 Ų | 113.1 | 69% | 0.685 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.1 | -39.5 | 179.4 | -179.5 | 0 | 0 | 0 | 0 | 111.1 | D13 H14 | V10-D13 PolarHBondContact O-N 2.96Å; V10-H14 WeakPolarHBondContact O-CB 3.38Å; V10-H14 PolarHBondContact O-N 2.97Å |
| 11 | L | 67 | Low | 61.3 | Low | 113 Ų | 113 | 112.3 Ų | 112.3 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -65.3 | -41.9 | 176.7 | -160.4 | 81.3 | 0 | 0 | 0 | 111.1 | H14 L15 | L11-H14 PolarHBondContact O-N 2.99Å; L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.42Å |
| 12 | L | 73 | Confident | 63.3 | Low | 106 Ų | 106 | 105.6 Ų | 105.6 | 56% | 0.555 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -64.9 | -44.7 | 176.9 | -175.1 | 63.7 | 0 | 0 | 0 | 111.8 | N8 G9 H14 L15 I16 | N8-L12 VanDerWaalsContact O-CB 3.3Å; N8-L12 WeakPolarHBondContact O-CB 3.28Å; N8-L12 PolarHBondContact O-N 3.36Å; G9-L12 PolarHBondContact O-N 2.67Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-H14 PolarHBondContact O-N 3Å; L12-L15 PolarHBondContact O-N 3.47Å; L12-I16 HydrophobicContact CD1-CD1 4.48Å; L12-I16 HydrophobicContact CG-CD1 4.08Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.31Å; L12-I16 PolarHBondContact O-N 3.44Å |
| 13 | D | 73.8 | Confident | 65.3 | Low | 77 Ų | 77 | 103.8 Ų | 103.8 | 41% | 0.412 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -60.9 | -39.5 | 175.4 | -178.4 | 66 | 0 | 0 | 0 | 111.9 | G9 V10 I16 K17 | G9-D13 WeakPolarHBondContact O-CB 3.41Å; G9-D13 PolarHBondContact O-N 3.23Å; V10-D13 PolarHBondContact O-N 2.96Å; D13-I16 PolarHBondContact O-N 3.3Å; D13-K17 WeakPolarHBondContact O-CG 3.44Å; D13-K17 PolarHBondContact O-N 3.45Å; D13-K17 IonicContact OD1-NZ 2.67Å; D13-K17 VanDerWaalsContact OD2-CE 3.28Å; D13-K17 WeakPolarHBondContact OD2-CE 3.3Å; D13-K17 IonicContact OD2-NZ 3.27Å; D13-K17 PolarHBondContact OD2-NZ 3.49Å |
| 14 | H | 72 | Confident | 67.1 | Low | 105 Ų | 105 | 106.2 Ų | 106.2 | 49% | 0.486 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.3 | -164.9 | 61.3 | 0 | 0 | 0 | 112.5 | V10 L11 L12 K17 Q18 | V10-H14 WeakPolarHBondContact O-CB 3.38Å; V10-H14 PolarHBondContact O-N 2.97Å; L11-H14 PolarHBondContact O-N 2.99Å; L12-H14 VanDerWaalsContact C-N 3.3Å; L12-H14 PolarHBondContact O-N 3Å; H14-K17 PolarHBondContact O-N 3.25Å; H14-Q18 PolarHBondContact NE2-NE2 3Å; H14-Q18 WeakPolarHBondContact O-CG 3.49Å; H14-Q18 PolarHBondContact O-N 3.43Å |
| 15 | L | 73.2 | Confident | 68.5 | Low | 86 Ų | 86 | 104.9 Ų | 104.9 | 45% | 0.45 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 176.3 | -71.6 | 169.8 | 0 | 0 | 0 | 112 | L11 L12 Q18 L19 | L11-L15 VanDerWaalsContact O-CG 3.31Å; L11-L15 WeakPolarHBondContact O-CG 3.4Å; L11-L15 PolarHBondContact O-N 3.42Å; L12-L15 PolarHBondContact O-N 3.47Å; L15-Q18 PolarHBondContact O-N 2.96Å; L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.39Å |
| 16 | I | 82 | Confident | 69.6 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.7 | -44.8 | 175.3 | -69.9 | 166.6 | 0 | 0 | 0 | 110.6 | L12 D13 Q18 L19 D20 | L12-I16 HydrophobicContact CD1-CD1 4.48Å; L12-I16 HydrophobicContact CG-CD1 4.08Å; L12-I16 VanDerWaalsContact O-CG1 3.29Å; L12-I16 WeakPolarHBondContact O-CG1 3.31Å; L12-I16 PolarHBondContact O-N 3.44Å; D13-I16 PolarHBondContact O-N 3.3Å; I16-Q18 VanDerWaalsContact C-N 3.34Å; I16-Q18 PolarHBondContact O-N 3.28Å; I16-L19 PolarHBondContact O-N 2.72Å; I16-D20 PolarHBondContact O-N 3.46Å |
| 17 | K | 77.5 | Confident | 70.7 | Confident | 117 Ų | 117 | 99.9 Ų | 99.9 | 51% | 0.509 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.6 | -39 | 176.8 | -74.8 | 169.3 | 177.7 | 164.3 | 0 | 112.5 | D13 H14 L19 D20 V21 | D13-K17 WeakPolarHBondContact O-CG 3.44Å; D13-K17 PolarHBondContact O-N 3.45Å; D13-K17 IonicContact OD1-NZ 2.67Å; D13-K17 VanDerWaalsContact OD2-CE 3.28Å; D13-K17 WeakPolarHBondContact OD2-CE 3.3Å; D13-K17 IonicContact OD2-NZ 3.27Å; D13-K17 PolarHBondContact OD2-NZ 3.49Å; H14-K17 PolarHBondContact O-N 3.25Å; K17-L19 VanDerWaalsContact C-N 3.35Å; K17-D20 PolarHBondContact O-N 3.33Å; K17-V21 WeakPolarHBondContact O-CG2 3.42Å; K17-V21 PolarHBondContact O-N 3.04Å |
| 18 | Q | 72.9 | Confident | 71.2 | Confident | 95 Ų | 95 | 102.4 Ų | 102.4 | 44% | 0.444 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.5 | -39.4 | 175.5 | -73.8 | -176.7 | -14.7 | 0 | 0 | 112 | H14 L15 I16 V21 I22 | H14-Q18 PolarHBondContact NE2-NE2 3Å; H14-Q18 WeakPolarHBondContact O-CG 3.49Å; H14-Q18 PolarHBondContact O-N 3.43Å; L15-Q18 PolarHBondContact O-N 2.96Å; I16-Q18 VanDerWaalsContact C-N 3.34Å; I16-Q18 PolarHBondContact O-N 3.28Å; Q18-V21 PolarHBondContact O-N 3.04Å; Q18-I22 WeakPolarHBondContact O-CG1 3.29Å; Q18-I22 PolarHBondContact O-N 3.35Å |
| 19 | L | 81.8 | Confident | 71.6 | Confident | 107 Ų | 107 | 100.2 Ų | 100.2 | 56% | 0.56 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65.5 | -40.6 | 176.5 | -74.4 | 168.9 | 0 | 0 | 0 | 112.6 | L15 I16 K17 V21 I22 M23 | L15-L19 WeakPolarHBondContact O-CG 3.44Å; L15-L19 PolarHBondContact O-N 3.39Å; I16-L19 PolarHBondContact O-N 2.72Å; K17-L19 VanDerWaalsContact C-N 3.35Å; L19-V21 VanDerWaalsContact C-N 3.33Å; L19-V21 PolarHBondContact O-N 3.42Å; L19-I22 PolarHBondContact O-N 3.06Å; L19-M23 WeakPolarHBondContact O-CG 3.5Å; L19-M23 PolarHBondContact O-N 3.27Å |
| 20 | D | 81.4 | Confident | 72.1 | Confident | 69 Ų | 69 | 104 Ų | 104 | 37% | 0.369 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60 | -42.2 | 176.1 | -177.4 | 41.2 | 0 | 0 | 0 | 111.7 | I16 K17 I22 M23 R24 | I16-D20 PolarHBondContact O-N 3.46Å; K17-D20 PolarHBondContact O-N 3.33Å; D20-I22 PolarHBondContact O-N 2.96Å; D20-M23 PolarHBondContact O-N 3.19Å; D20-R24 WeakPolarHBondContact O-CG 3.38Å; D20-R24 PolarHBondContact O-N 3.21Å; D20-R24 IonicContact OD1-CZ 3.26Å; D20-R24 IonicContact OD1-NE 3.59Å; D20-R24 PolarHBondContact OD1-NE 3.19Å; D20-R24 IonicContact OD1-NH2 2.72Å; D20-R24 IonicContact OD2-CZ 3.83Å; D20-R24 VanDerWaalsContact OD2-CZ 3.26Å; D20-R24 IonicContact OD2-NE 3.22Å; D20-R24 PolarHBondContact OD2-NE 3.47Å; D20-R24 IonicContact OD2-NH2 3.86Å; D20-R24 PolarHBondContact OD2-NH2 3.22Å |
| 21 | V | 75.8 | Confident | 72 | Confident | 97 Ų | 97 | 103.2 Ų | 103.2 | 59% | 0.588 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.6 | -42.1 | 176 | 174.6 | 0 | 0 | 0 | 0 | 111.7 | K17 Q18 L19 R24 F25 | K17-V21 WeakPolarHBondContact O-CG2 3.42Å; K17-V21 PolarHBondContact O-N 3.04Å; Q18-V21 PolarHBondContact O-N 3.04Å; L19-V21 VanDerWaalsContact C-N 3.33Å; L19-V21 PolarHBondContact O-N 3.42Å; V21-R24 PolarHBondContact O-N 3.43Å; V21-F25 WeakPolarHBondContact O-CB 3.34Å; V21-F25 PolarHBondContact O-N 3.05Å |
| 22 | I | 74.5 | Confident | 71.9 | Confident | 92 Ų | 92 | 102 Ų | 102 | 47% | 0.472 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.6 | -42 | 178.6 | -67.6 | 168.3 | 0 | 0 | 0 | 110.9 | Q18 L19 D20 F25 Q26 | Q18-I22 WeakPolarHBondContact O-CG1 3.29Å; Q18-I22 PolarHBondContact O-N 3.35Å; L19-I22 PolarHBondContact O-N 3.06Å; D20-I22 PolarHBondContact O-N 2.96Å; I22-F25 PolarHBondContact O-N 2.98Å; I22-Q26 WeakPolarHBondContact O-CG 3.32Å; I22-Q26 PolarHBondContact O-N 3.28Å |
| 23 | M | 76.1 | Confident | 71.2 | Confident | 113 Ų | 113 | 105.8 Ų | 105.8 | 56% | 0.557 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -60.8 | -47.2 | 177.2 | -75.5 | -175.8 | 60 | 0 | 0 | 111.6 | L19 D20 F25 Q26 E27 | L19-M23 WeakPolarHBondContact O-CG 3.5Å; L19-M23 PolarHBondContact O-N 3.27Å; D20-M23 PolarHBondContact O-N 3.19Å; M23-F25 VanDerWaalsContact C-N 3.3Å; M23-F25 PolarHBondContact O-N 3.12Å; M23-Q26 WeakPolarHBondContact O-CB 3.49Å; M23-Q26 PolarHBondContact O-N 3.36Å; M23-Q26 VanDerWaalsContact O-N 3.12Å; M23-E27 PolarHBondContact O-N 3.23Å |
| 24 | R | 70.3 | Confident | 70.6 | Confident | 146 Ų | 146 | 105.2 Ų | 105.2 | 55% | 0.551 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.9 | -37.4 | 176.8 | -66.9 | 178.7 | -163.7 | -161.7 | 6 | 112.5 | D20 V21 Q26 E27 L28 | D20-R24 WeakPolarHBondContact O-CG 3.38Å; D20-R24 PolarHBondContact O-N 3.21Å; D20-R24 IonicContact OD1-CZ 3.26Å; D20-R24 IonicContact OD1-NE 3.59Å; D20-R24 PolarHBondContact OD1-NE 3.19Å; D20-R24 IonicContact OD1-NH2 2.72Å; D20-R24 IonicContact OD2-CZ 3.83Å; D20-R24 VanDerWaalsContact OD2-CZ 3.26Å; D20-R24 IonicContact OD2-NE 3.22Å; D20-R24 PolarHBondContact OD2-NE 3.47Å; D20-R24 IonicContact OD2-NH2 3.86Å; D20-R24 PolarHBondContact OD2-NH2 3.22Å; V21-R24 PolarHBondContact O-N 3.43Å; R24-Q26 VanDerWaalsContact C-N 3.35Å; R24-E27 PolarHBondContact O-N 3.05Å; R24-L28 WeakPolarHBondContact O-CG 3.4Å; R24-L28 PolarHBondContact O-N 3.33Å |
| 25 | F | 68.4 | Low | 69.8 | Low | 136 Ų | 136 | 106.1 Ų | 106.1 | 60% | 0.596 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -38.1 | 175.4 | -172.6 | -96.9 | 0 | 0 | 0 | 112.2 | V21 I22 M23 L28 T29 | V21-F25 WeakPolarHBondContact O-CB 3.34Å; V21-F25 PolarHBondContact O-N 3.05Å; I22-F25 PolarHBondContact O-N 2.98Å; M23-F25 VanDerWaalsContact C-N 3.3Å; M23-F25 PolarHBondContact O-N 3.12Å; F25-L28 PolarHBondContact O-N 3.03Å; F25-T29 HydrophobicContact CD1-CG2 4.2Å; F25-T29 HydrophobicContact CE1-CG2 3.79Å; F25-T29 HydrophobicContact CZ-CG2 3.98Å; F25-T29 WeakPolarHBondContact O-CG2 3.49Å; F25-T29 PolarHBondContact O-N 3.5Å; F25-T29 PolarHBondContact O-OG1 3.03Å |
| 26 | Q | 65.2 | Low | 69.2 | Low | 107 Ų | 107 | 106.3 Ų | 106.3 | 50% | 0.5 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.8 | -41.6 | 174.7 | -73.5 | -178.2 | -8.1 | 0 | 0 | 112.1 | I22 M23 R24 T29 Q30 | I22-Q26 WeakPolarHBondContact O-CG 3.32Å; I22-Q26 PolarHBondContact O-N 3.28Å; M23-Q26 WeakPolarHBondContact O-CB 3.49Å; M23-Q26 PolarHBondContact O-N 3.36Å; M23-Q26 VanDerWaalsContact O-N 3.12Å; R24-Q26 VanDerWaalsContact C-N 3.35Å; Q26-T29 WeakPolarHBondContact CA-OG1 3.46Å; Q26-T29 PolarHBondContact O-N 3.1Å; Q26-T29 PolarHBondContact O-OG1 3.04Å; Q26-Q30 WeakPolarHBondContact O-CB 3.45Å; Q26-Q30 WeakPolarHBondContact O-CG 3.38Å; Q26-Q30 PolarHBondContact O-N 3.38Å |
| 27 | E | 68.9 | Low | 68.1 | Low | 115 Ų | 115 | 106.2 Ų | 106.2 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 175.7 | -72.4 | 175.9 | -179.4 | 0 | 0 | 112.1 | M23 R24 Q30 N31 | M23-E27 PolarHBondContact O-N 3.23Å; R24-E27 PolarHBondContact O-N 3.05Å; E27-Q30 PolarHBondContact O-N 3.44Å; E27-N31 PolarHBondContact O-N 2.92Å |
| 28 | L | 62.3 | Low | 67.4 | Low | 104 Ų | 104 | 106.4 Ų | 106.4 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 176 | -71.9 | 170.6 | 0 | 0 | 0 | 111.6 | R24 F25 Q30 N31 D32 | R24-L28 WeakPolarHBondContact O-CG 3.4Å; R24-L28 PolarHBondContact O-N 3.33Å; F25-L28 PolarHBondContact O-N 3.03Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 3.41Å; L28-N31 PolarHBondContact O-N 3Å; L28-D32 PolarHBondContact O-N 3.49Å |
| 29 | T | 65.7 | Low | 66.6 | Low | 54 Ų | 54 | 107.2 Ų | 107.2 | 33% | 0.331 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68.5 | -28.2 | 179.6 | 53.3 | 0 | 0 | 0 | 0 | 113.4 | F25 Q26 R33 | F25-T29 HydrophobicContact CD1-CG2 4.2Å; F25-T29 HydrophobicContact CE1-CG2 3.79Å; F25-T29 HydrophobicContact CZ-CG2 3.98Å; F25-T29 WeakPolarHBondContact O-CG2 3.49Å; F25-T29 PolarHBondContact O-N 3.5Å; F25-T29 PolarHBondContact O-OG1 3.03Å; Q26-T29 WeakPolarHBondContact CA-OG1 3.46Å; Q26-T29 PolarHBondContact O-N 3.1Å; Q26-T29 PolarHBondContact O-OG1 3.04Å; T29-R33 PolarHBondContact O-N 3.06Å |
| 30 | Q | 67.2 | Low | 65.5 | Low | 133 Ų | 133 | 103.7 Ų | 103.7 | 62% | 0.621 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.3 | -39.4 | 171.1 | -75.1 | -175.7 | 9.2 | 0 | 0 | 112.1 | Q26 E27 L28 R33 S34 | Q26-Q30 WeakPolarHBondContact O-CB 3.45Å; Q26-Q30 WeakPolarHBondContact O-CG 3.38Å; Q26-Q30 PolarHBondContact O-N 3.38Å; E27-Q30 PolarHBondContact O-N 3.44Å; L28-Q30 VanDerWaalsContact C-N 3.31Å; L28-Q30 PolarHBondContact O-N 3.41Å; Q30-R33 PolarHBondContact O-N 3.35Å; Q30-S34 PolarHBondContact O-N 2.89Å |
| 31 | N | 63.5 | Low | 64.4 | Low | 98 Ų | 98 | 104 Ų | 104 | 52% | 0.524 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.1 | -39 | 173.3 | -78.6 | -25.5 | 0 | 0 | 0 | 112 | E27 L28 S34 Q35 | E27-N31 PolarHBondContact O-N 2.92Å; L28-N31 PolarHBondContact O-N 3Å; N31-S34 PolarHBondContact O-N 3.19Å; N31-S34 PolarHBondContact O-OG 3.38Å; N31-Q35 PolarHBondContact O-N 2.96Å |
| 32 | D | 63.6 | Low | 63.5 | Low | 86 Ų | 86 | 102 Ų | 102 | 46% | 0.46 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.5 | -40.4 | 175.1 | -71.2 | -13.7 | 0 | 0 | 0 | 111.2 | L28 Q35 I36 | L28-D32 PolarHBondContact O-N 3.49Å; D32-Q35 PolarHBondContact O-N 3.5Å; D32-I36 VanDerWaalsContact O-CG1 3.25Å; D32-I36 WeakPolarHBondContact O-CG1 3.25Å; D32-I36 PolarHBondContact O-N 3Å |
| 33 | R | 59.4 | Low | 62.6 | Low | 186 Ų | 186 | 102.3 Ų | 102.3 | 70% | 0.702 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -43 | 172.9 | -83 | -175.2 | 179.6 | -173.4 | 1.3 | 112.2 | T29 Q30 Q35 I36 D37 | T29-R33 PolarHBondContact O-N 3.06Å; Q30-R33 PolarHBondContact O-N 3.35Å; R33-Q35 VanDerWaalsContact C-N 3.3Å; R33-Q35 PolarHBondContact O-N 3.35Å; R33-I36 PolarHBondContact O-N 3.11Å; R33-D37 WeakPolarHBondContact O-CB 3.48Å; R33-D37 PolarHBondContact O-N 3.41Å |
| 34 | S | 60.6 | Low | 61.7 | Low | 66 Ų | 66 | 103.8 Ų | 103.8 | 46% | 0.462 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.2 | -35.1 | 179.3 | 75.1 | 0 | 0 | 0 | 0 | 111.9 | Q30 N31 H38 | Q30-S34 PolarHBondContact O-N 2.89Å; N31-S34 PolarHBondContact O-N 3.19Å; N31-S34 PolarHBondContact O-OG 3.38Å; S34-H38 VanDerWaalsContact O-CB 3.24Å; S34-H38 WeakPolarHBondContact O-CB 3.48Å; S34-H38 PolarHBondContact O-N 3.42Å |
| 35 | Q | 56.6 | Low | 60.8 | Low | 123 Ų | 123 | 99.6 Ų | 99.6 | 58% | 0.575 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.1 | -46.8 | 170.6 | -84.4 | -172.3 | -9.6 | 0 | 0 | 112.3 | N31 D32 R33 D37 H38 E39 | N31-Q35 PolarHBondContact O-N 2.96Å; D32-Q35 PolarHBondContact O-N 3.5Å; R33-Q35 VanDerWaalsContact C-N 3.3Å; R33-Q35 PolarHBondContact O-N 3.35Å; Q35-D37 VanDerWaalsContact C-N 3.32Å; Q35-D37 PolarHBondContact O-N 3.43Å; Q35-H38 WeakPolarHBondContact O-CB 3.33Å; Q35-H38 PolarHBondContact O-N 2.95Å; Q35-E39 WeakPolarHBondContact O-CG 3.46Å; Q35-E39 PolarHBondContact O-N 3.39Å |
| 36 | I | 58.7 | Low | 60 | Low | 90 Ų | 90 | 96.6 Ų | 96.6 | 46% | 0.462 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.5 | -43.7 | 177.3 | -68.6 | 164.8 | 0 | 0 | 0 | 110.7 | D32 R33 H38 E39 A40 | D32-I36 VanDerWaalsContact O-CG1 3.25Å; D32-I36 WeakPolarHBondContact O-CG1 3.25Å; D32-I36 PolarHBondContact O-N 3Å; R33-I36 PolarHBondContact O-N 3.11Å; I36-H38 VanDerWaalsContact C-N 3.34Å; I36-E39 PolarHBondContact O-N 3.02Å; I36-A40 VanDerWaalsContact O-CB 3.26Å; I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 3.16Å |
| 37 | D | 59.1 | Low | 59.2 | Low | 97 Ų | 97 | 94.2 Ų | 94.2 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -65.1 | -39.5 | 177.4 | -74.7 | -24.5 | 0 | 0 | 0 | 111.5 | R33 Q35 A40 N41 | R33-D37 WeakPolarHBondContact O-CB 3.48Å; R33-D37 PolarHBondContact O-N 3.41Å; Q35-D37 VanDerWaalsContact C-N 3.32Å; Q35-D37 PolarHBondContact O-N 3.43Å; D37-A40 PolarHBondContact O-N 3.26Å; D37-N41 WeakPolarHBondContact O-CB 3.26Å; D37-N41 PolarHBondContact O-N 3.36Å; D37-N41 PolarHBondContact O-ND2 2.85Å |
| 38 | H | 64 | Low | 58.1 | Low | 121 Ų | 121 | 95 Ų | 95 | 56% | 0.56 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.2 | -48.1 | 175.3 | -175.8 | 66.8 | 0 | 0 | 0 | 111.7 | S34 Q35 I36 A40 N41 I42 | S34-H38 VanDerWaalsContact O-CB 3.24Å; S34-H38 WeakPolarHBondContact O-CB 3.48Å; S34-H38 PolarHBondContact O-N 3.42Å; Q35-H38 WeakPolarHBondContact O-CB 3.33Å; Q35-H38 PolarHBondContact O-N 2.95Å; I36-H38 VanDerWaalsContact C-N 3.34Å; H38-A40 PolarHBondContact O-N 2.85Å; H38-N41 WeakPolarHBondContact O-CB 3.42Å; H38-N41 PolarHBondContact O-N 3.46Å; H38-I42 WeakPolarHBondContact O-CG1 3.24Å; H38-I42 PolarHBondContact O-N 2.86Å |
| 39 | E | 55.2 | Low | 57.2 | Low | 111 Ų | 111 | 95 Ų | 95 | 52% | 0.519 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 177 | -72.3 | -173.5 | 175.9 | 0 | 0 | 111.9 | Q35 I36 N41 I42 I43 | Q35-E39 WeakPolarHBondContact O-CG 3.46Å; Q35-E39 PolarHBondContact O-N 3.39Å; I36-E39 PolarHBondContact O-N 3.02Å; E39-N41 VanDerWaalsContact C-N 3.27Å; E39-N41 PolarHBondContact O-N 2.95Å; E39-I42 PolarHBondContact O-N 2.91Å; E39-I43 WeakPolarHBondContact O-CG1 3.47Å; E39-I43 PolarHBondContact O-N 3.28Å |
| 40 | A | 58.2 | Low | 55.8 | Low | 33 Ų | 33 | 95.6 Ų | 95.6 | 27% | 0.273 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -33.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | I36 D37 H38 R44 | I36-A40 VanDerWaalsContact O-CB 3.26Å; I36-A40 WeakPolarHBondContact O-CB 3.45Å; I36-A40 PolarHBondContact O-N 3.16Å; D37-A40 PolarHBondContact O-N 3.26Å; H38-A40 PolarHBondContact O-N 2.85Å; A40-R44 WeakPolarHBondContact O-CB 3.33Å; A40-R44 PolarHBondContact O-N 2.93Å; A40-R44 PolarHBondContact O-NE 3.2Å |
| 41 | N | 58.8 | Low | 54.5 | Low | 76 Ų | 76 | 91 Ų | 91 | 41% | 0.406 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.6 | -37.1 | 174.1 | -75.2 | -22.7 | 0 | 0 | 0 | 112.1 | D37 H38 E39 R44 S45 | D37-N41 WeakPolarHBondContact O-CB 3.26Å; D37-N41 PolarHBondContact O-N 3.36Å; D37-N41 PolarHBondContact O-ND2 2.85Å; H38-N41 WeakPolarHBondContact O-CB 3.42Å; H38-N41 PolarHBondContact O-N 3.46Å; E39-N41 VanDerWaalsContact C-N 3.27Å; E39-N41 PolarHBondContact O-N 2.95Å; N41-R44 PolarHBondContact O-N 3.27Å; N41-R44 VanDerWaalsContact OD1-CZ 3.22Å; N41-R44 PolarHBondContact OD1-NH1 3.01Å; N41-R44 PolarHBondContact OD1-NH2 3.45Å; N41-S45 WeakPolarHBondContact O-CB 3.49Å; N41-S45 PolarHBondContact O-N 2.92Å; N41-S45 PolarHBondContact O-OG 2.87Å |
| 42 | I | 57.2 | Low | 53.5 | Low | 55 Ų | 55 | 93.1 Ų | 93.1 | 28% | 0.282 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.5 | -49.4 | 172.7 | -68.1 | 169.2 | 0 | 0 | 0 | 109.7 | H38 E39 R44 S45 D46 | H38-I42 WeakPolarHBondContact O-CG1 3.24Å; H38-I42 PolarHBondContact O-N 2.86Å; E39-I42 PolarHBondContact O-N 2.91Å; I42-R44 VanDerWaalsContact C-N 3.31Å; I42-R44 PolarHBondContact O-N 3.31Å; I42-S45 PolarHBondContact O-N 3.37Å; I42-S45 VanDerWaalsContact O-N 3.13Å; I42-D46 PolarHBondContact O-N 3.2Å |
| 43 | I | 56.6 | Low | 52.2 | Low | 98 Ų | 98 | 92.5 Ų | 92.5 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60 | -42 | -180 | -66.5 | 165.7 | 0 | 0 | 0 | 111.2 | E39 D46 A47 | E39-I43 WeakPolarHBondContact O-CG1 3.47Å; E39-I43 PolarHBondContact O-N 3.28Å; I43-D46 PolarHBondContact O-N 2.95Å; I43-A47 WeakPolarHBondContact O-CB 3.39Å; I43-A47 PolarHBondContact O-N 3.49Å |
| 44 | R | 55.8 | Low | 51.1 | Low | 145 Ų | 145 | 87.7 Ų | 87.7 | 55% | 0.547 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 175.3 | -85.7 | -176.6 | -87.6 | 153.2 | -5.9 | 112.4 | A40 N41 I42 A47 Q48 | A40-R44 WeakPolarHBondContact O-CB 3.33Å; A40-R44 PolarHBondContact O-N 2.93Å; A40-R44 PolarHBondContact O-NE 3.2Å; N41-R44 PolarHBondContact O-N 3.27Å; N41-R44 VanDerWaalsContact OD1-CZ 3.22Å; N41-R44 PolarHBondContact OD1-NH1 3.01Å; N41-R44 PolarHBondContact OD1-NH2 3.45Å; I42-R44 VanDerWaalsContact C-N 3.31Å; I42-R44 PolarHBondContact O-N 3.31Å; R44-A47 PolarHBondContact O-N 3.49Å; R44-Q48 WeakPolarHBondContact O-CG 3.12Å; R44-Q48 PolarHBondContact O-N 2.97Å; R44-Q48 VanDerWaalsContact O-N 3.07Å |
| 45 | S | 51.3 | Low | 50.2 | Low | 58 Ų | 58 | 90.5 Ų | 90.5 | 41% | 0.406 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 177 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | N41 I42 A47 Q48 I49 | N41-S45 WeakPolarHBondContact O-CB 3.49Å; N41-S45 PolarHBondContact O-N 2.92Å; N41-S45 PolarHBondContact O-OG 2.87Å; I42-S45 PolarHBondContact O-N 3.37Å; I42-S45 VanDerWaalsContact O-N 3.13Å; S45-A47 PolarHBondContact O-N 3.19Å; S45-Q48 WeakPolarHBondContact O-CB 3.45Å; S45-Q48 PolarHBondContact O-N 2.91Å; S45-I49 VanDerWaalsContact O-CG1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.39Å; S45-I49 PolarHBondContact O-N 3.42Å |
| 46 | D | 51.2 | Low | 49.5 | Very low | 72 Ų | 72 | 88.7 Ų | 88.7 | 39% | 0.385 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.2 | -42 | 177.4 | -79 | -3 | 0 | 0 | 0 | 111.3 | I42 I43 Q48 I49 C50 | I42-D46 PolarHBondContact O-N 3.2Å; I43-D46 PolarHBondContact O-N 2.95Å; D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 3.27Å; D46-I49 PolarHBondContact O-N 2.97Å; D46-C50 WeakPolarHBondContact O-CB 3.46Å; D46-C50 PolarHBondContact O-N 3.27Å; D46-C50 PolarHBondContact O-SG 2.95Å; D46-C50 VanDerWaalsContact O-SG 3.34Å |
| 47 | A | 50.2 | Low | 48.6 | Very low | 58 Ų | 58 | 90.4 Ų | 90.4 | 48% | 0.479 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.1 | -38.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I43 R44 S45 A51 | I43-A47 WeakPolarHBondContact O-CB 3.39Å; I43-A47 PolarHBondContact O-N 3.49Å; R44-A47 PolarHBondContact O-N 3.49Å; S45-A47 PolarHBondContact O-N 3.19Å; A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 3.48Å |
| 48 | Q | 45.4 | Very low | 47.5 | Very low | 131 Ų | 131 | 89.9 Ų | 89.9 | 61% | 0.612 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.7 | -42.7 | 174.3 | -73.3 | 178 | -14.6 | 0 | 0 | 111.9 | R44 S45 D46 C50 A51 I52 | R44-Q48 WeakPolarHBondContact O-CG 3.12Å; R44-Q48 PolarHBondContact O-N 2.97Å; R44-Q48 VanDerWaalsContact O-N 3.07Å; S45-Q48 WeakPolarHBondContact O-CB 3.45Å; S45-Q48 PolarHBondContact O-N 2.91Å; D46-Q48 VanDerWaalsContact C-N 3.32Å; D46-Q48 PolarHBondContact O-N 3.27Å; Q48-C50 VanDerWaalsContact C-N 3.34Å; Q48-A51 PolarHBondContact O-N 3.43Å; Q48-I52 WeakPolarHBondContact O-CG1 3.42Å; Q48-I52 PolarHBondContact O-N 2.89Å; Q48-I52 VanDerWaalsContact O-N 3.12Å |
| 49 | I | 42.3 | Very low | 46.5 | Very low | 105 Ų | 105 | 89.7 Ų | 89.7 | 54% | 0.538 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.4 | -44 | 176.5 | -68.1 | 165.4 | 0 | 0 | 0 | 110.2 | S45 D46 A51 I52 S53 | S45-I49 VanDerWaalsContact O-CG1 3.29Å; S45-I49 WeakPolarHBondContact O-CG1 3.39Å; S45-I49 PolarHBondContact O-N 3.42Å; D46-I49 PolarHBondContact O-N 2.97Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 3.44Å; I49-I52 PolarHBondContact O-N 3.48Å; I49-S53 PolarHBondContact O-N 2.83Å; I49-S53 VanDerWaalsContact O-N 3.15Å; I49-S53 PolarHBondContact O-OG 2.84Å |
| 50 | C | 37.5 | Very low | 45.8 | Very low | 66 Ų | 66 | 90 Ų | 90 | 45% | 0.446 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.8 | -40.2 | 175.5 | -73 | 0 | 0 | 0 | 0 | 112.3 | D46 Q48 I52 S53 | D46-C50 WeakPolarHBondContact O-CB 3.46Å; D46-C50 PolarHBondContact O-N 3.27Å; D46-C50 PolarHBondContact O-SG 2.95Å; D46-C50 VanDerWaalsContact O-SG 3.34Å; Q48-C50 VanDerWaalsContact C-N 3.34Å; C50-I52 VanDerWaalsContact C-N 3.35Å; C50-I52 PolarHBondContact O-N 2.92Å; C50-S53 WeakPolarHBondContact CA-OG 3.45Å; C50-S53 PolarHBondContact O-N 2.89Å; C50-S53 PolarHBondContact O-OG 3.13Å |
| 51 | A | 39.6 | Very low | 44.8 | Very low | 36 Ų | 36 | 90.8 Ų | 90.8 | 30% | 0.298 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.6 | -33.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | A47 Q48 I49 V59 | A47-A51 WeakPolarHBondContact O-CB 3.41Å; A47-A51 PolarHBondContact O-N 3.48Å; Q48-A51 PolarHBondContact O-N 3.43Å; I49-A51 VanDerWaalsContact C-N 3.33Å; I49-A51 PolarHBondContact O-N 3.44Å; A51-V59 HydrophobicContact CB-CG2 3.97Å |
| 52 | I | 41.8 | Very low | 43.7 | Very low | 142 Ų | 142 | 91.6 Ų | 91.6 | 73% | 0.728 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -72.7 | -34.2 | 177.2 | -64.8 | 163.3 | 0 | 0 | 0 | 111.2 | Q48 I49 C50 N54 | Q48-I52 WeakPolarHBondContact O-CG1 3.42Å; Q48-I52 PolarHBondContact O-N 2.89Å; Q48-I52 VanDerWaalsContact O-N 3.12Å; I49-I52 PolarHBondContact O-N 3.48Å; C50-I52 VanDerWaalsContact C-N 3.35Å; C50-I52 PolarHBondContact O-N 2.92Å; I52-N54 VanDerWaalsContact C-N 3.27Å; I52-N54 PolarHBondContact O-N 2.97Å |
| 53 | S | 36.4 | Very low | 42.7 | Very low | 73 Ų | 73 | 96.3 Ų | 96.3 | 51% | 0.51 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -75.4 | -7.9 | -176.5 | 61.3 | 0 | 0 | 0 | 0 | 115.3 | I49 C50 | I49-S53 PolarHBondContact O-N 2.83Å; I49-S53 VanDerWaalsContact O-N 3.15Å; I49-S53 PolarHBondContact O-OG 2.84Å; C50-S53 WeakPolarHBondContact CA-OG 3.45Å; C50-S53 PolarHBondContact O-N 2.89Å; C50-S53 PolarHBondContact O-OG 3.13Å |
| 54 | N | 37 | Very low | 41.7 | Very low | 86 Ų | 86 | 95.2 Ų | 95.2 | 46% | 0.46 | 57% | 0.567 | S | S | . | * | trans | -133.5 | 78.5 | -179.1 | -120.3 | -15.4 | 0 | 0 | 0 | 111.3 | I52 A56 N57 | I52-N54 VanDerWaalsContact C-N 3.27Å; I52-N54 PolarHBondContact O-N 2.97Å; N54-A56 PolarHBondContact O-N 3.35Å; N54-N57 PolarHBondContact O-N 3.49Å | ||
| 55 | P | 40.7 | Very low | 40.7 | Very low | 124 Ų | 124 | 95.2 Ų | 95.2 | 81% | 0.805 | 57% | 0.573 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.2 | -7 | -175.9 | 26.5 | -33.4 | 0 | 0 | 0 | 114.1 | ||
| 56 | A | 43.3 | Very low | 39.9 | Very low | 86 Ų | 86 | 98 Ų | 98 | 71% | 0.711 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.2 | -9.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | N54 | N54-A56 PolarHBondContact O-N 3.35Š|
| 57 | N | 38.1 | Very low | 39.1 | Very low | 125 Ų | 125 | 98.4 Ų | 98.4 | 67% | 0.668 | 60% | 0.601 | S | S | * | * | S | Bend | trans | -138.9 | 88.3 | 174.7 | -101.8 | -20.8 | 0 | 0 | 0 | 108.7 | N54 V59 | N54-N57 PolarHBondContact O-N 3.49Å; N57-V59 PolarHBondContact O-N 3.05Å |
| 58 | P | 37.4 | Very low | 38.2 | Very low | 86 Ų | 86 | 103.3 Ų | 103.3 | 56% | 0.558 | 61% | 0.614 | S | S | * | * | trans | -58 | 133.6 | 166.9 | 25.6 | -30.1 | 0 | 0 | 0 | 107.1 | T60 | P58-T60 HydrophobicContact CB-CG2 4.38Å; P58-T60 PolarHBondContact O-N 2.8Å; P58-T60 PolarHBondContact O-OG1 3.44Å | ||
| 59 | V | 43.4 | Very low | 37.7 | Very low | 117 Ų | 117 | 104.3 Ų | 104.3 | 71% | 0.709 | 62% | 0.622 | S | S | * | * | trans | -69.2 | 68.3 | 165.3 | -177 | 0 | 0 | 0 | 0 | 107.2 | A51 N57 | A51-V59 HydrophobicContact CB-CG2 3.97Å; N57-V59 PolarHBondContact O-N 3.05Å | ||
| 60 | T | 39.7 | Very low | 37.3 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 73% | 0.73 | 64% | 0.639 | S | S | * | * | trans | -93 | 17 | 160.3 | 36 | 0 | 0 | 0 | 0 | 110.1 | P58 D62 | P58-T60 HydrophobicContact CB-CG2 4.38Å; P58-T60 PolarHBondContact O-N 2.8Å; P58-T60 PolarHBondContact O-OG1 3.44Å; T60-D62 PolarHBondContact O-N 2.95Å | ||
| 61 | G | 37.8 | Very low | 37.1 | Very low | 48 Ų | 48 | 117.2 Ų | 117.2 | 50% | 0.495 | 66% | 0.66 | S | S | . | * | S | Bend | trans | -68.1 | 89.7 | 160.2 | 0 | 0 | 0 | 0 | 0 | 108 | I63 | G61-I63 PolarHBondContact O-N 3.1Å; G61-I63 VanDerWaalsContact O-N 3.1Å |
| 62 | D | 34.3 | Very low | 36.7 | Very low | 93 Ų | 93 | 122 Ų | 122 | 50% | 0.497 | 68% | 0.681 | S | S | . | * | trans | -29.8 | 112.9 | 165.2 | -162 | -7.4 | 0 | 0 | 0 | 110.2 | T60 S64 Q65 | T60-D62 PolarHBondContact O-N 2.95Å; D62-S64 PolarHBondContact O-N 2.81Å; D62-S64 WeakPolarHBondContact OD1-CB 3.5Å; D62-S64 PolarHBondContact OD1-N 3.36Å; D62-S64 PolarHBondContact OD1-OG 2.74Å; D62-Q65 HydrophobicContact CB-CG 4.3Å; D62-Q65 PolarHBondContact O-N 3.42Å | ||
| 63 | I | 38 | Very low | 36.5 | Very low | 154 Ų | 154 | 120.2 Ų | 120.2 | 79% | 0.79 | 69% | 0.688 | S | S | * | * | G | 310 helix | trans | -56.7 | -13.5 | 174.3 | -62.5 | 168.5 | 0 | 0 | 0 | 110 | G61 Q65 T66 | G61-I63 PolarHBondContact O-N 3.1Å; G61-I63 VanDerWaalsContact O-N 3.1Å; I63-Q65 VanDerWaalsContact C-N 3.35Å; I63-T66 PolarHBondContact O-OG1 3.34Å |
| 64 | S | 34.7 | Very low | 36.6 | Very low | 76 Ų | 76 | 122 Ų | 122 | 53% | 0.531 | 70% | 0.701 | S | S | . | * | G | 310 helix | trans | -69 | -19.7 | 169.5 | -48 | 0 | 0 | 0 | 0 | 115 | D62 T66 A67 | D62-S64 PolarHBondContact O-N 2.81Å; D62-S64 WeakPolarHBondContact OD1-CB 3.5Å; D62-S64 PolarHBondContact OD1-N 3.36Å; D62-S64 PolarHBondContact OD1-OG 2.74Å; S64-T66 PolarHBondContact O-N 3.25Å; S64-A67 WeakPolarHBondContact O-CB 3.29Å; S64-A67 PolarHBondContact O-N 3.33Å |
| 65 | Q | 33.9 | Very low | 36.6 | Very low | 144 Ų | 144 | 126.1 Ų | 126.1 | 67% | 0.673 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -79.3 | -14.2 | -177.4 | -75.7 | -170.7 | 11.2 | 0 | 0 | 114.4 | D62 I63 A67 | D62-Q65 HydrophobicContact CB-CG 4.3Å; D62-Q65 PolarHBondContact O-N 3.42Å; I63-Q65 VanDerWaalsContact C-N 3.35Å; Q65-A67 PolarHBondContact O-N 3.03Å |
| 66 | T | 35.3 | Very low | 36.6 | Very low | 118 Ų | 118 | 125.9 Ų | 125.9 | 72% | 0.724 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -72.7 | -2.7 | 168.4 | 21.2 | 0 | 0 | 0 | 0 | 113.9 | I63 S64 | I63-T66 PolarHBondContact O-OG1 3.34Å; S64-T66 PolarHBondContact O-N 3.25Å |
| 67 | A | 34.4 | Very low | 36.5 | Very low | 79 Ų | 79 | 126 Ų | 126 | 65% | 0.653 | 71% | 0.708 | S | S | * | * | G | 310 helix | trans | -91.5 | -0.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | S64 Q65 L69 | S64-A67 WeakPolarHBondContact O-CB 3.29Å; S64-A67 PolarHBondContact O-N 3.33Å; Q65-A67 PolarHBondContact O-N 3.03Å; A67-L69 PolarHBondContact O-N 3.46Å; A67-L69 VanDerWaalsContact O-N 3.16Å |
| 68 | H | 30.8 | Very low | 36.1 | Very low | 162 Ų | 162 | 127.6 Ų | 127.6 | 75% | 0.75 | 72% | 0.717 | S | S | * | * | trans | -89.1 | 55.5 | 171.9 | -68.1 | -50 | 0 | 0 | 0 | 112.1 | R70 | H68-R70 PolarHBondContact O-N 2.86Š| ||
| 69 | L | 36.3 | Very low | 36.1 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 79% | 0.791 | 72% | 0.716 | S | S | * | * | trans | -66.3 | 104.5 | 161.1 | -78.5 | 167.5 | 0 | 0 | 0 | 107.9 | A67 K71 | A67-L69 PolarHBondContact O-N 3.46Å; A67-L69 VanDerWaalsContact O-N 3.16Å; L69-K71 PolarHBondContact O-N 3.15Å | ||
| 70 | R | 32.8 | Very low | 35.4 | Very low | 237 Ų | 237 | 129.4 Ų | 129.4 | 89% | 0.894 | 72% | 0.722 | S | S | * | * | trans | -52.8 | 133.9 | -178.2 | -76.1 | 177.5 | 171.5 | 173.6 | -2.3 | 111 | H68 N72 | H68-R70 PolarHBondContact O-N 2.86Å; R70-N72 PolarHBondContact O-N 3.25Å | ||
| 71 | K | 33.2 | Very low | 35.3 | Very low | 205 Ų | 205 | 129.3 Ų | 129.3 | 89% | 0.891 | 72% | 0.716 | S | S | * | * | S | Bend | trans | -60.7 | 8.7 | 179.5 | -104.7 | -179.6 | 177.4 | 180 | 0 | 117.1 | L69 | L69-K71 PolarHBondContact O-N 3.15Š|
| 72 | N | 31.6 | Very low | 35 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -118.1 | 92.6 | -172 | -65.5 | -7.2 | 0 | 0 | 0 | 110.6 | R70 S74 | R70-N72 PolarHBondContact O-N 3.25Å; N72-S74 PolarHBondContact O-N 3.24Å | ||
| 73 | A | 37.6 | Very low | 35 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 88% | 0.876 | 74% | 0.744 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | 101.4 | 166.5 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||
| 74 | S | 39.4 | Very low | 34.6 | Very low | 111 Ų | 111 | 129 Ų | 129 | 78% | 0.776 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -169.2 | -13 | 160.8 | 15.7 | 0 | 0 | 0 | 0 | 115.2 | N72 | N72-S74 PolarHBondContact O-N 3.24Š|
| 75 | E | 35.8 | Very low | 34.6 | Very low | 172 Ų | 172 | 129.9 Ų | 129.9 | 80% | 0.804 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -131.9 | 139.2 | 177 | -69.8 | -178.6 | 165.4 | 0 | 0 | 111.3 | ||
| 76 | P | 40.2 | Very low | 34.4 | Very low | 118 Ų | 118 | 126.4 Ų | 126.4 | 77% | 0.766 | 75% | 0.745 | S | S | * | * | trans | -61 | 128.6 | 170.9 | 25.6 | -30.8 | 0 | 0 | 0 | 108.2 | N78 | P76-N78 PolarHBondContact O-N 2.93Å; P76-N78 VanDerWaalsContact O-N 3.1Å | ||
| 77 | P | 41.3 | Very low | 34.2 | Very low | 88 Ų | 88 | 125.9 Ų | 125.9 | 57% | 0.571 | 75% | 0.746 | S | S | * | * | trans | -65.9 | 119.1 | -177.1 | 27.5 | -33.9 | 0 | 0 | 0 | 109.1 | F79 | P77-F79 HydrophobicContact CB-CD2 3.83Å; P77-F79 HydrophobicContact CB-CE1 4.31Å; P77-F79 HydrophobicContact CB-CE2 3.3Å; P77-F79 HydrophobicContact CB-CZ 3.57Å; P77-F79 HydrophobicContact CG-CD2 3.9Å; P77-F79 HydrophobicContact CG-CE2 3.27Å; P77-F79 HydrophobicContact CG-CZ 3.94Å; P77-F79 PolarHBondContact O-N 3.12Å; P77-F79 VanDerWaalsContact O-N 3.11Å | ||
| 78 | N | 30.2 | Very low | 34.2 | Very low | 159 Ų | 159 | 130.4 Ų | 130.4 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -80.5 | 90.9 | 176.5 | -152 | -1.4 | 0 | 0 | 0 | 108.1 | P76 | P76-N78 PolarHBondContact O-N 2.93Å; P76-N78 VanDerWaalsContact O-N 3.1Å | ||
| 79 | F | 37.9 | Very low | 34.4 | Very low | 121 Ų | 121 | 129 Ų | 129 | 53% | 0.531 | 75% | 0.754 | S | S | . | * | trans | -90 | 110.7 | 177.9 | -66.7 | -67.8 | 0 | 0 | 0 | 110.6 | P77 I81 | P77-F79 HydrophobicContact CB-CD2 3.83Å; P77-F79 HydrophobicContact CB-CE1 4.31Å; P77-F79 HydrophobicContact CB-CE2 3.3Å; P77-F79 HydrophobicContact CB-CZ 3.57Å; P77-F79 HydrophobicContact CG-CD2 3.9Å; P77-F79 HydrophobicContact CG-CE2 3.27Å; P77-F79 HydrophobicContact CG-CZ 3.94Å; P77-F79 PolarHBondContact O-N 3.12Å; P77-F79 VanDerWaalsContact O-N 3.11Å; F79-I81 PolarHBondContact O-N 3.42Å | ||
| 80 | S | 29 | Very low | 34.3 | Very low | 120 Ų | 120 | 125.1 Ų | 125.1 | 84% | 0.839 | 75% | 0.751 | S | S | * | * | trans | -83.8 | 101.4 | 163.9 | -69.1 | 0 | 0 | 0 | 0 | 108.8 | S82 | S80-S82 PolarHBondContact O-N 3.23Š| ||
| 81 | I | 37.1 | Very low | 34.4 | Very low | 117 Ų | 117 | 122.4 Ų | 122.4 | 60% | 0.6 | 74% | 0.741 | S | S | * | * | trans | -83.9 | 108.5 | 172.6 | -53.1 | 174.4 | 0 | 0 | 0 | 107.2 | F79 S83 | F79-I81 PolarHBondContact O-N 3.42Å; I81-S83 PolarHBondContact O-N 3.07Å | ||
| 82 | S | 31 | Very low | 34.7 | Very low | 116 Ų | 116 | 119 Ų | 119 | 81% | 0.811 | 73% | 0.731 | S | S | * | * | trans | -70.9 | 97.2 | 168.4 | 64.1 | 0 | 0 | 0 | 0 | 108.5 | S80 G84 | S80-S82 PolarHBondContact O-N 3.23Å; S82-G84 VanDerWaalsContact C-N 3.32Å; S82-G84 PolarHBondContact O-N 3.28Å | ||
| 83 | S | 34.8 | Very low | 35 | Very low | 112 Ų | 112 | 117.3 Ų | 117.3 | 78% | 0.783 | 73% | 0.725 | S | S | * | * | trans | -69.9 | 87.2 | 175.9 | 59.4 | 0 | 0 | 0 | 0 | 110.5 | I81 | I81-S83 PolarHBondContact O-N 3.07Š| ||
| 84 | G | 29.9 | Very low | 35 | Very low | 62 Ų | 62 | 116.1 Ų | 116.1 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | trans | -97.7 | 53 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S82 | S82-G84 VanDerWaalsContact C-N 3.32Å; S82-G84 PolarHBondContact O-N 3.28Å | ||
| 85 | C | 33.5 | Very low | 35 | Very low | 93 Ų | 93 | 115.4 Ų | 115.4 | 63% | 0.628 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -165.9 | 124.2 | 154.2 | -160.9 | 0 | 0 | 0 | 0 | 107.7 | ||
| 86 | G | 30.2 | Very low | 35.1 | Very low | 71 Ų | 71 | 113.4 Ų | 113.4 | 73% | 0.732 | 69% | 0.689 | S | S | * | * | trans | -66.2 | 136.2 | -163 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 87 | S | 31.2 | Very low | 34.9 | Very low | 108 Ų | 108 | 111.4 Ų | 111.4 | 76% | 0.755 | 68% | 0.675 | S | S | * | * | trans | 56 | 117 | 143.4 | -134.6 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 88 | K | 34.1 | Very low | 34.6 | Very low | 173 Ų | 173 | 114.1 Ų | 114.1 | 75% | 0.752 | 68% | 0.678 | S | S | * | * | cis | -165.9 | 142 | 42.1 | -73.5 | 177.8 | 177 | 170.8 | 0 | 109.5 | ||||
| 89 | T | 36.5 | Very low | 34.8 | Very low | 133 Ų | 133 | 111 Ų | 111 | 82% | 0.816 | 67% | 0.667 | S | S | * | * | S | Bend | trans | 57.3 | 106.9 | 142.7 | 57.7 | 0 | 0 | 0 | 0 | 119.5 | ||
| 90 | G | 33.5 | Very low | 34.7 | Very low | 70 Ų | 70 | 113.3 Ų | 113.3 | 72% | 0.722 | 67% | 0.674 | S | S | * | * | S | Bend | trans | 97.9 | -12.6 | 142.3 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||
| 91 | R | 34.7 | Very low | 35.1 | Very low | 180 Ų | 180 | 114.1 Ų | 114.1 | 68% | 0.679 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.4 | -5.6 | -166 | -138.4 | 172.6 | 179.9 | -174.9 | -2.3 | 116.4 | ||
| 92 | L | 38.7 | Very low | 35.2 | Very low | 134 Ų | 134 | 119.5 Ų | 119.5 | 70% | 0.702 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -3.9 | 179.5 | -101.5 | 149.3 | 0 | 0 | 0 | 114.2 | ||
| 93 | V | 39.3 | Very low | 35.7 | Very low | 99 Ų | 99 | 122.1 Ų | 122.1 | 60% | 0.6 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -83.7 | -19 | -177.3 | -177 | 0 | 0 | 0 | 0 | 112.3 | V97 | V93-V97 HydrophobicContact CG1-CG2 4.14Å; V93-V97 VanDerWaalsContact O-CG2 3.32Å; V93-V97 WeakPolarHBondContact O-CG2 3.35Å |
| 94 | V | 37.7 | Very low | 35.7 | Very low | 82 Ų | 82 | 122 Ų | 122 | 50% | 0.497 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -79 | -30.9 | -168.3 | -174.2 | 0 | 0 | 0 | 0 | 112.9 | F98 | V94-F98 HydrophobicContact CG1-CD2 4.41Å; V94-F98 PolarHBondContact O-N 3.29Å |
| 95 | T | 38.7 | Very low | 36 | Very low | 96 Ų | 96 | 123.5 Ų | 123.5 | 59% | 0.589 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -74.3 | -31 | -175.6 | -39 | 0 | 0 | 0 | 0 | 112.9 | ||
| 96 | E | 36.9 | Very low | 36 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 60% | 0.603 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -84.6 | -27.8 | 179.1 | -68.3 | -164.1 | 154.1 | 0 | 0 | 113.5 | ||
| 97 | V | 37.3 | Very low | 36.3 | Very low | 77 Ų | 77 | 135.2 Ų | 135.2 | 47% | 0.467 | 69% | 0.692 | S | S | . | * | H | α-helix | trans | -73.9 | -31.8 | 179.1 | 177.9 | 0 | 0 | 0 | 0 | 112 | V93 C99 Y100 | V93-V97 HydrophobicContact CG1-CG2 4.14Å; V93-V97 VanDerWaalsContact O-CG2 3.32Å; V93-V97 WeakPolarHBondContact O-CG2 3.35Å; V97-C99 VanDerWaalsContact C-N 3.35Å; V97-C99 PolarHBondContact O-N 2.71Å; V97-Y100 PolarHBondContact O-N 3.32Å |
| 98 | F | 34.3 | Very low | 36.6 | Very low | 145 Ų | 145 | 136.6 Ų | 136.6 | 64% | 0.636 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -68.9 | -30.3 | 179.6 | -113.2 | -87 | 0 | 0 | 0 | 113.6 | V94 | V94-F98 HydrophobicContact CG1-CD2 4.41Å; V94-F98 PolarHBondContact O-N 3.29Å |
| 99 | C | 35.4 | Very low | 36.7 | Very low | 94 Ų | 94 | 134.6 Ų | 134.6 | 64% | 0.635 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -76.1 | -28 | 177.5 | -72.7 | 0 | 0 | 0 | 0 | 113 | V97 | V97-C99 VanDerWaalsContact C-N 3.35Å; V97-C99 PolarHBondContact O-N 2.71Å |
| 100 | Y | 35.5 | Very low | 36.7 | Very low | 169 Ų | 169 | 134.7 Ų | 134.7 | 66% | 0.663 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -73.3 | -32 | 179.8 | -162.3 | -97.2 | 0 | 0 | 0 | 113 | V97 N104 | V97-Y100 PolarHBondContact O-N 3.32Å; Y100-N104 WeakPolarHBondContact CE1-ND2 3.49Å; Y100-N104 PolarHBondContact O-ND2 3.01Å |
| 101 | H | 36.4 | Very low | 36.9 | Very low | 137 Ų | 137 | 138.8 Ų | 138.8 | 63% | 0.634 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -78.3 | -29 | -179.6 | -96.8 | -65 | 0 | 0 | 0 | 114.1 | H103 | H101-H103 VanDerWaalsContact C-N 3.35Å |
| 102 | R | 39.1 | Very low | 37.1 | Very low | 229 Ų | 229 | 136 Ų | 136 | 86% | 0.864 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -75 | -23.5 | -179 | -167.6 | 171 | 176.1 | 151.9 | -1.5 | 113.4 | ||
| 103 | H | 41.3 | Very low | 37 | Very low | 171 Ų | 171 | 136.1 Ų | 136.1 | 79% | 0.792 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -91.6 | -12.6 | -179.2 | -114.1 | -73 | 0 | 0 | 0 | 114.7 | H101 | H101-H103 VanDerWaalsContact C-N 3.35Å |
| 104 | N | 36.6 | Very low | 36.8 | Very low | 109 Ų | 109 | 139 Ų | 139 | 58% | 0.583 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -108 | 2.8 | -178.2 | -78 | -44.8 | 0 | 0 | 0 | 114.1 | Y100 K106 | Y100-N104 WeakPolarHBondContact CE1-ND2 3.49Å; Y100-N104 PolarHBondContact O-ND2 3.01Å; N104-K106 PolarHBondContact O-N 3.21Å |
| 105 | S | 34.8 | Very low | 36.7 | Very low | 94 Ų | 94 | 143.8 Ų | 143.8 | 66% | 0.657 | 69% | 0.693 | S | S | * | * | trans | -96.7 | 80.5 | 174.5 | -176.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 106 | K | 34.6 | Very low | 36.5 | Very low | 275 Ų | 275 | 148.1 Ų | 148.1 | 100% | 1.196 | 70% | 0.703 | S | S | * | * | trans | 79.5 | 0 | 175.8 | -64.4 | -177.7 | 176.7 | 178.2 | 0 | 117.5 | N104 | N104-K106 PolarHBondContact O-N 3.21Š|
Retrieved 106 of 106 residues in 144.1 ms
(Link to these results)