| 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 | 31.7 | Very low | 38.6 | Very low | 231 Ų | 231 | 93.4 Ų | 93.4 | 100% | 1.138 | 51% | 0.511 | S | S | * | . | 0 | 110.7 | 0 | -166.7 | 177.4 | -84.3 | 0 | 0 | 107.1 | K3 | M1-K3 PolarHBondContact O-N 3.37Š| |||
| 2 | I | 28 | Very low | 39.4 | Very low | 143 Ų | 143 | 94.1 Ų | 94.1 | 73% | 0.733 | 51% | 0.508 | S | S | * | . | trans | -85.3 | 91.4 | -157.6 | -58.7 | 155.3 | 0 | 0 | 0 | 109.6 | S5 | I2-S5 WeakPolarHBondContact CG2-OG 3.37Š| ||
| 3 | K | 34.4 | Very low | 39.5 | Very low | 146 Ų | 146 | 93.8 Ų | 93.8 | 64% | 0.635 | 51% | 0.506 | S | S | * | . | trans | -97.9 | -9.4 | 168.3 | -80.2 | -178.9 | 173.5 | 177.2 | 0 | 113.1 | M1 S5 D7 | M1-K3 PolarHBondContact O-N 3.37Å; K3-S5 VanDerWaalsContact C-N 3.35Å; K3-S5 PolarHBondContact O-N 2.88Å; K3-D7 VanDerWaalsContact O-OD2 3.09Å | ||
| 4 | I | 36.8 | Very low | 39.7 | Very low | 104 Ų | 104 | 89.1 Ų | 89.1 | 53% | 0.533 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.4 | -38.4 | -175.9 | -60.5 | 168.1 | 0 | 0 | 0 | 111.3 | T6 D7 L8 | I4-T6 PolarHBondContact O-N 3.04Å; I4-D7 PolarHBondContact O-N 2.78Å; I4-L8 WeakPolarHBondContact O-CB 3.34Å; I4-L8 PolarHBondContact O-N 3.28Å |
| 5 | S | 36.6 | Very low | 40 | Very low | 75 Ų | 75 | 87.1 Ų | 87.1 | 52% | 0.524 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -38.3 | -176.1 | -56.3 | 0 | 0 | 0 | 0 | 113.2 | I2 K3 A9 | I2-S5 WeakPolarHBondContact CG2-OG 3.37Å; K3-S5 VanDerWaalsContact C-N 3.35Å; K3-S5 PolarHBondContact O-N 2.88Å; S5-A9 WeakPolarHBondContact O-CB 3.34Å; S5-A9 PolarHBondContact O-N 3.43Å |
| 6 | T | 37 | Very low | 40.2 | Very low | 99 Ų | 99 | 89.4 Ų | 89.4 | 61% | 0.607 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -68.1 | -44.4 | 178.3 | -52.5 | 0 | 0 | 0 | 0 | 110.4 | I4 L8 A9 V10 | I4-T6 PolarHBondContact O-N 3.04Å; T6-L8 VanDerWaalsContact C-N 3.34Å; T6-L8 PolarHBondContact O-N 2.89Å; T6-A9 PolarHBondContact O-N 3.39Å; T6-V10 HydrophobicContact CG2-CG2 4.41Å; T6-V10 WeakPolarHBondContact O-CB 3.42Å; T6-V10 VanDerWaalsContact O-CG2 3.26Å; T6-V10 WeakPolarHBondContact O-CG2 3.16Å; T6-V10 PolarHBondContact O-N 3.46Å |
| 7 | D | 39 | Very low | 39.9 | Very low | 29 Ų | 29 | 88 Ų | 88 | 16% | 0.155 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | -179.7 | -71.7 | -80.5 | 0 | 0 | 0 | 111.5 | K3 I4 A9 V10 C11 F50 R57 | K3-D7 VanDerWaalsContact O-OD2 3.09Å; I4-D7 PolarHBondContact O-N 2.78Å; D7-A9 PolarHBondContact O-N 3.23Å; D7-V10 PolarHBondContact O-N 3.26Å; D7-C11 PolarHBondContact O-N 3.49Å; D7-F50 HydrophobicContact CB-CE2 3.75Å; D7-F50 HydrophobicContact CB-CZ 4.47Å; D7-F50 WeakPolarHBondContact O-CE2 3.49Å; D7-F50 WeakPolarHBondContact O-CZ 3.17Å; D7-F50 WeakPolarHBondContact OD1-CD2 3.26Å; D7-F50 VanDerWaalsContact OD1-CE2 3.24Å; D7-F50 WeakPolarHBondContact OD1-CE2 3.28Å; D7-R57 IonicContact OD2-CZ 3.08Å; D7-R57 IonicContact OD2-NH1 2.72Å; D7-R57 PolarHBondContact OD2-NH1 2.86Å; D7-R57 IonicContact OD2-NH2 2.75Å; D7-R57 PolarHBondContact OD2-NH2 3.4Å |
| 8 | L | 47 | Very low | 39.7 | Very low | 69 Ų | 69 | 90.3 Ų | 90.3 | 36% | 0.361 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.9 | -39.9 | 177.2 | -165.7 | 76.1 | 0 | 0 | 0 | 112.2 | I4 T6 V10 C11 H12 C77 | I4-L8 WeakPolarHBondContact O-CB 3.34Å; I4-L8 PolarHBondContact O-N 3.28Å; T6-L8 VanDerWaalsContact C-N 3.34Å; T6-L8 PolarHBondContact O-N 2.89Å; L8-V10 VanDerWaalsContact C-N 3.33Å; L8-C11 WeakPolarHBondContact O-CB 3.49Å; L8-C11 PolarHBondContact O-N 3.38Å; L8-H12 WeakPolarHBondContact O-CB 3.42Å; L8-H12 PolarHBondContact O-N 3.34Å; L8-C77 HydrophobicContact CD1-CB 4.37Å; L8-C77 HydrophobicContact CD2-CB 4.07Å |
| 9 | A | 43 | Very low | 39.5 | Very low | 57 Ų | 57 | 92.2 Ų | 92.2 | 47% | 0.471 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.1 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | S5 T6 D7 H12 D13 | S5-A9 WeakPolarHBondContact O-CB 3.34Å; S5-A9 PolarHBondContact O-N 3.43Å; T6-A9 PolarHBondContact O-N 3.39Å; D7-A9 PolarHBondContact O-N 3.23Å; A9-H12 PolarHBondContact O-N 2.97Å; A9-D13 VanDerWaalsContact O-CB 3.3Å; A9-D13 WeakPolarHBondContact O-CB 3.41Å; A9-D13 PolarHBondContact O-N 3.15Å |
| 10 | V | 44.2 | Very low | 39.2 | Very low | 47 Ų | 47 | 90.7 Ų | 90.7 | 29% | 0.285 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.1 | -43.9 | 174.5 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | T6 D7 L8 H12 D13 L14 F50 | T6-V10 HydrophobicContact CG2-CG2 4.41Å; T6-V10 WeakPolarHBondContact O-CB 3.42Å; T6-V10 VanDerWaalsContact O-CG2 3.26Å; T6-V10 WeakPolarHBondContact O-CG2 3.16Å; T6-V10 PolarHBondContact O-N 3.46Å; D7-V10 PolarHBondContact O-N 3.26Å; L8-V10 VanDerWaalsContact C-N 3.33Å; V10-H12 VanDerWaalsContact C-N 3.29Å; V10-H12 PolarHBondContact O-N 2.84Å; V10-D13 PolarHBondContact O-N 2.82Å; V10-L14 HydrophobicContact CG1-CD1 3.56Å; V10-L14 HydrophobicContact CG1-CG 4.08Å; V10-L14 VanDerWaalsContact O-CB 3.24Å; V10-L14 WeakPolarHBondContact O-CB 3.28Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.12Å; V10-F50 HydrophobicContact CB-CD2 4.47Å; V10-F50 HydrophobicContact CB-CE2 3.83Å; V10-F50 HydrophobicContact CB-CZ 3.85Å; V10-F50 HydrophobicContact CG1-CD1 4.25Å; V10-F50 HydrophobicContact CG1-CD2 4.09Å; V10-F50 HydrophobicContact CG1-CE1 3.95Å; V10-F50 HydrophobicContact CG1-CE2 3.81Å; V10-F50 HydrophobicContact CG1-CG 4.3Å; V10-F50 HydrophobicContact CG1-CZ 3.71Å |
| 11 | C | 47.1 | Very low | 39.1 | Very low | 27 Ų | 27 | 91 Ų | 91 | 18% | 0.182 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -53.8 | -48.9 | 170.5 | -87.9 | 0 | 0 | 0 | 0 | 110.8 | D7 L8 M15 F50 | D7-C11 PolarHBondContact O-N 3.49Å; L8-C11 WeakPolarHBondContact O-CB 3.49Å; L8-C11 PolarHBondContact O-N 3.38Å; C11-M15 VanDerWaalsContact O-CB 3.31Å; C11-M15 WeakPolarHBondContact O-CB 3.24Å; C11-M15 WeakPolarHBondContact O-CG 3.35Å; C11-M15 PolarHBondContact O-N 3.2Å; C11-F50 HydrophobicContact CB-CZ 4.22Å; C11-F50 VanDerWaalsContact SG-CE1 3.56Å; C11-F50 WeakPolarHBondContact SG-CZ 3.29Å |
| 12 | H | 48.2 | Very low | 38.8 | Very low | 102 Ų | 102 | 90.3 Ų | 90.3 | 47% | 0.472 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.8 | -43.3 | -177.8 | -172.7 | -80.6 | 0 | 0 | 0 | 112.6 | L8 A9 V10 M15 H16 | L8-H12 WeakPolarHBondContact O-CB 3.42Å; L8-H12 PolarHBondContact O-N 3.34Å; A9-H12 PolarHBondContact O-N 2.97Å; V10-H12 VanDerWaalsContact C-N 3.29Å; V10-H12 PolarHBondContact O-N 2.84Å; H12-M15 PolarHBondContact O-N 3.02Å; H12-H16 AromaticContact CE1-CD2 3.47Å; H12-H16 PolarHBondContact CE1-CD2 3.41Å; H12-H16 VanDerWaalsContact CE1-CD2 3.47Å; H12-H16 AromaticContact CE1-CE1 3.45Å; H12-H16 PolarHBondContact CE1-CE1 2.84Å; H12-H16 VanDerWaalsContact CE1-CE1 3.45Å; H12-H16 AromaticContact CE1-CG 3.99Å; H12-H16 AromaticContact CE1-ND1 3.97Å; H12-H16 AromaticContact CE1-NE2 3.1Å; H12-H16 PolarHBondContact CE1-NE2 3.46Å; H12-H16 AromaticContact ND1-CD2 3.69Å; H12-H16 AromaticContact ND1-NE2 3.83Å; H12-H16 AromaticContact NE2-CD2 3.92Å; H12-H16 AromaticContact NE2-NE2 3.37Å; H12-H16 PolarHBondContact NE2-NE2 3.06Å; H12-H16 WeakPolarHBondContact O-CB 3.18Å; H12-H16 PolarHBondContact O-CD2 2.81Å; H12-H16 PolarHBondContact O-N 2.86Å |
| 13 | D | 41 | Very low | 38.9 | Very low | 90 Ų | 90 | 92.2 Ų | 92.2 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.5 | -47.7 | 176.3 | -165.4 | -68.2 | 0 | 0 | 0 | 110.3 | A9 V10 M15 H16 Q17 | A9-D13 VanDerWaalsContact O-CB 3.3Å; A9-D13 WeakPolarHBondContact O-CB 3.41Å; A9-D13 PolarHBondContact O-N 3.15Å; V10-D13 PolarHBondContact O-N 2.82Å; D13-M15 VanDerWaalsContact C-N 3.33Å; D13-M15 PolarHBondContact O-N 3.45Å; D13-H16 CarbonylContact O-C 3.47Å; D13-H16 WeakPolarHBondContact O-CA 3.48Å; D13-H16 WeakPolarHBondContact O-CB 3.44Å; D13-H16 PolarHBondContact O-N 2.81Å; D13-Q17 WeakPolarHBondContact O-CG 3.42Å; D13-Q17 PolarHBondContact O-N 3.37Å; D13-Q17 PolarHBondContact OD1-NE2 2.82Å; D13-Q17 VanDerWaalsContact OD1-NE2 3.08Å |
| 14 | L | 42.2 | Very low | 38.6 | Very low | 28 Ų | 28 | 91.1 Ų | 91.1 | 15% | 0.147 | 47% | 0.474 | C | S | . | . | H | α-helix | trans | -63.5 | -36.9 | 177.7 | -68.2 | 174.1 | 0 | 0 | 0 | 112.6 | V10 H16 Q17 M43 Y47 F50 | V10-L14 HydrophobicContact CG1-CD1 3.56Å; V10-L14 HydrophobicContact CG1-CG 4.08Å; V10-L14 VanDerWaalsContact O-CB 3.24Å; V10-L14 WeakPolarHBondContact O-CB 3.28Å; V10-L14 WeakPolarHBondContact O-CG 3.46Å; V10-L14 PolarHBondContact O-N 3.12Å; L14-H16 VanDerWaalsContact C-N 3.31Å; L14-Q17 PolarHBondContact O-N 3.32Å; L14-M43 HydrophobicContact CD1-CG 4.37Å; L14-Y47 HydrophobicContact CD1-CD2 3.66Å; L14-Y47 HydrophobicContact CD1-CE2 3.87Å; L14-Y47 HydrophobicContact CD1-CG 4.49Å; L14-Y47 HydrophobicContact CD2-CD2 4.09Å; L14-Y47 HydrophobicContact CD2-CE2 3.44Å; L14-Y47 VanDerWaalsContact CD2-CE2 3.44Å; L14-Y47 HydrophobicContact CG-CE2 4.29Å; L14-F50 HydrophobicContact CD1-CD1 4.39Å; L14-F50 HydrophobicContact CD1-CE1 4.28Å |
| 15 | M | 44.4 | Very low | 38.5 | Very low | 60 Ų | 60 | 89.7 Ų | 89.7 | 30% | 0.296 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.1 | -28.6 | 173.6 | -70.3 | -123.6 | -67.6 | 0 | 0 | 112.6 | C11 H12 D13 | C11-M15 VanDerWaalsContact O-CB 3.31Å; C11-M15 WeakPolarHBondContact O-CB 3.24Å; C11-M15 WeakPolarHBondContact O-CG 3.35Å; C11-M15 PolarHBondContact O-N 3.2Å; H12-M15 PolarHBondContact O-N 3.02Å; D13-M15 VanDerWaalsContact C-N 3.33Å; D13-M15 PolarHBondContact O-N 3.45Å |
| 16 | H | 43.3 | Very low | 39 | Very low | 123 Ų | 123 | 92.5 Ų | 92.5 | 57% | 0.569 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -81 | -20.8 | 174.3 | -87.7 | -125.2 | 0 | 0 | 0 | 112.9 | H12 D13 L14 | H12-H16 AromaticContact CE1-CD2 3.47Å; H12-H16 PolarHBondContact CE1-CD2 3.41Å; H12-H16 VanDerWaalsContact CE1-CD2 3.47Å; H12-H16 AromaticContact CE1-CE1 3.45Å; H12-H16 PolarHBondContact CE1-CE1 2.84Å; H12-H16 VanDerWaalsContact CE1-CE1 3.45Å; H12-H16 AromaticContact CE1-CG 3.99Å; H12-H16 AromaticContact CE1-ND1 3.97Å; H12-H16 AromaticContact CE1-NE2 3.1Å; H12-H16 PolarHBondContact CE1-NE2 3.46Å; H12-H16 AromaticContact ND1-CD2 3.69Å; H12-H16 AromaticContact ND1-NE2 3.83Å; H12-H16 AromaticContact NE2-CD2 3.92Å; H12-H16 AromaticContact NE2-NE2 3.37Å; H12-H16 PolarHBondContact NE2-NE2 3.06Å; H12-H16 WeakPolarHBondContact O-CB 3.18Å; H12-H16 PolarHBondContact O-CD2 2.81Å; H12-H16 PolarHBondContact O-N 2.86Å; D13-H16 CarbonylContact O-C 3.47Å; D13-H16 WeakPolarHBondContact O-CA 3.48Å; D13-H16 WeakPolarHBondContact O-CB 3.44Å; D13-H16 PolarHBondContact O-N 2.81Å; L14-H16 VanDerWaalsContact C-N 3.31Å |
| 17 | Q | 35.1 | Very low | 39.1 | Very low | 66 Ų | 66 | 92.7 Ų | 92.7 | 31% | 0.308 | 49% | 0.489 | S | S | . | . | S | Bend | trans | -65.9 | 135.4 | 175.5 | -75.5 | 179.8 | -7.9 | 0 | 0 | 108.8 | D13 L14 F19 | D13-Q17 WeakPolarHBondContact O-CG 3.42Å; D13-Q17 PolarHBondContact O-N 3.37Å; D13-Q17 PolarHBondContact OD1-NE2 2.82Å; D13-Q17 VanDerWaalsContact OD1-NE2 3.08Å; L14-Q17 PolarHBondContact O-N 3.32Å; Q17-F19 HydrophobicContact CB-CD2 3.31Å; Q17-F19 HydrophobicContact CB-CE2 3.52Å; Q17-F19 HydrophobicContact CG-CD2 4.3Å; Q17-F19 HydrophobicContact CG-CE2 4.06Å; Q17-F19 PolarHBondContact O-N 2.95Å |
| 18 | P | 36 | Very low | 39 | Very low | 130 Ų | 130 | 93.5 Ų | 93.5 | 84% | 0.844 | 50% | 0.504 | S | S | * | . | trans | -72.4 | 28.3 | -175.5 | 32.4 | -38 | 0 | 0 | 0 | 112.5 | G20 | P18-G20 PolarHBondContact O-N 2.75Š| ||
| 19 | F | 35.6 | Very low | 38.3 | Very low | 126 Ų | 126 | 98.2 Ų | 98.2 | 55% | 0.553 | 52% | 0.524 | S | S | * | . | trans | -65.9 | 82 | 167.8 | -66.1 | -72.6 | 0 | 0 | 0 | 107.1 | Q17 Y21 | Q17-F19 HydrophobicContact CB-CD2 3.31Å; Q17-F19 HydrophobicContact CB-CE2 3.52Å; Q17-F19 HydrophobicContact CG-CD2 4.3Å; Q17-F19 HydrophobicContact CG-CE2 4.06Å; Q17-F19 PolarHBondContact O-N 2.95Å; F19-Y21 PolarHBondContact O-N 2.84Å | ||
| 20 | G | 34.4 | Very low | 38.1 | Very low | 61 Ų | 61 | 99.2 Ų | 99.2 | 63% | 0.629 | 53% | 0.525 | S | S | * | . | trans | -47.5 | 114.9 | 173.2 | 0 | 0 | 0 | 0 | 0 | 107.7 | P18 R22 | P18-G20 PolarHBondContact O-N 2.75Å; G20-R22 VanDerWaalsContact C-N 3.32Å; G20-R22 PolarHBondContact O-N 2.72Å | ||
| 21 | Y | 35.5 | Very low | 37.6 | Very low | 97 Ų | 97 | 103.7 Ų | 103.7 | 38% | 0.38 | 55% | 0.547 | S | S | . | . | trans | -46.3 | 97.8 | 171.8 | -65.2 | -71.4 | 0 | 0 | 0 | 108.5 | F19 V38 A39 P71 | F19-Y21 PolarHBondContact O-N 2.84Å; Y21-V38 HydrophobicContact CD1-CB 3.52Å; Y21-V38 HydrophobicContact CD1-CG1 3.64Å; Y21-V38 HydrophobicContact CG-CB 3.98Å; Y21-V38 HydrophobicContact CG-CG1 4.06Å; Y21-A39 HydrophobicContact CE1-CB 4.07Å; Y21-P71 HydrophobicContact CE2-CG 4.49Å | ||
| 22 | R | 26.8 | Very low | 36.9 | Very low | 217 Ų | 217 | 111.9 Ų | 111.9 | 82% | 0.819 | 57% | 0.574 | S | S | * | * | trans | -96.1 | 122.3 | -176.7 | -141.7 | 176.1 | 177.7 | 174.5 | -1.3 | 107 | G20 L24 | G20-R22 VanDerWaalsContact C-N 3.32Å; G20-R22 PolarHBondContact O-N 2.72Å; R22-L24 PolarHBondContact O-N 3.23Å | ||
| 23 | R | 28.4 | Very low | 36.3 | Very low | 184 Ų | 184 | 111.1 Ų | 111.1 | 69% | 0.694 | 58% | 0.578 | S | S | * | * | trans | -52.9 | 99.7 | 179.5 | -149 | 175.3 | 87.3 | 161.2 | 11.3 | 109.3 | D25 V30 | R23-D25 PolarHBondContact O-N 2.9Å; R23-V30 HydrophobicContact CG-CG2 4.32Å | ||
| 24 | L | 29.8 | Very low | 36.2 | Very low | 122 Ų | 122 | 112.2 Ų | 112.2 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | trans | -83.9 | 103 | 172.4 | -100.3 | 138.6 | 0 | 0 | 0 | 106.5 | R22 | R22-L24 PolarHBondContact O-N 3.23Š| ||
| 25 | D | 34.7 | Very low | 35.8 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 40% | 0.396 | 61% | 0.607 | S | S | . | * | trans | -148.5 | 114.2 | 156 | -142.7 | -69.8 | 0 | 0 | 0 | 109.8 | R23 S27 G28 | R23-D25 PolarHBondContact O-N 2.9Å; D25-S27 PolarHBondContact O-N 2.9Å; D25-S27 WeakPolarHBondContact OD1-CA 3.27Å; D25-S27 WeakPolarHBondContact OD1-CB 3.3Å; D25-S27 PolarHBondContact OD1-N 3.37Å; D25-G28 PolarHBondContact OD1-N 3.4Å | ||
| 26 | P | 45.9 | Very low | 35.5 | Very low | 134 Ų | 134 | 116.8 Ų | 116.8 | 87% | 0.87 | 62% | 0.619 | S | S | * | * | S | Bend | trans | -72.7 | -11.5 | 170.1 | 27.4 | -29.8 | 0 | 0 | 0 | 112.5 | ||
| 27 | S | 40 | Very low | 35.1 | Very low | 104 Ų | 104 | 119.7 Ų | 119.7 | 73% | 0.727 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -114.2 | -12.5 | -175.2 | -41.1 | 0 | 0 | 0 | 0 | 113.3 | D25 E29 | D25-S27 PolarHBondContact O-N 2.9Å; D25-S27 WeakPolarHBondContact OD1-CA 3.27Å; D25-S27 WeakPolarHBondContact OD1-CB 3.3Å; D25-S27 PolarHBondContact OD1-N 3.37Å; S27-E29 PolarHBondContact O-N 3.45Å |
| 28 | G | 36.3 | Very low | 35.1 | Very low | 45 Ų | 45 | 118.3 Ų | 118.3 | 46% | 0.464 | 62% | 0.621 | S | S | . | * | trans | 79.4 | 5.7 | 163.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | D25 V30 | D25-G28 PolarHBondContact OD1-N 3.4Å; G28-V30 PolarHBondContact O-N 3.43Å | ||
| 29 | E | 32.3 | Very low | 35.3 | Very low | 168 Ų | 168 | 113.4 Ų | 113.4 | 79% | 0.785 | 59% | 0.592 | S | S | * | * | trans | -94.6 | 85 | -177 | -138.2 | 171.9 | 103.6 | 0 | 0 | 111.1 | S27 D31 | S27-E29 PolarHBondContact O-N 3.45Å; E29-D31 VanDerWaalsContact C-N 3.3Å; E29-D31 PolarHBondContact O-N 3.46Å; E29-D31 VanDerWaalsContact O-N 3.15Å | ||
| 30 | V | 38.4 | Very low | 35.4 | Very low | 79 Ų | 79 | 113.2 Ų | 113.2 | 48% | 0.479 | 59% | 0.588 | S | S | . | * | trans | -85.7 | 72.5 | 175.7 | -174.7 | 0 | 0 | 0 | 0 | 108.9 | R23 G28 | R23-V30 HydrophobicContact CG-CG2 4.32Å; G28-V30 PolarHBondContact O-N 3.43Å | ||
| 31 | D | 34.6 | Very low | 35.6 | Very low | 140 Ų | 140 | 112.6 Ų | 112.6 | 75% | 0.749 | 58% | 0.575 | S | S | * | * | trans | -106.1 | 68.2 | 172.9 | -162.3 | -99.6 | 0 | 0 | 0 | 110.2 | E29 | E29-D31 VanDerWaalsContact C-N 3.3Å; E29-D31 PolarHBondContact O-N 3.46Å; E29-D31 VanDerWaalsContact O-N 3.15Å | ||
| 32 | R | 32.9 | Very low | 35.8 | Very low | 200 Ų | 200 | 110.5 Ų | 110.5 | 76% | 0.755 | 57% | 0.571 | S | S | * | * | S | Bend | trans | -177.5 | 154.1 | 154.2 | -107.3 | -174.5 | 160.9 | 118.3 | -2.7 | 111.5 | ||
| 33 | P | 34.1 | Very low | 36.6 | Very low | 85 Ų | 85 | 101.3 Ų | 101.3 | 55% | 0.552 | 54% | 0.538 | S | S | * | . | trans | -60.7 | 145 | -163.8 | 21.5 | -30.2 | 0 | 0 | 0 | 112.9 | D35 | P33-D35 PolarHBondContact O-N 2.07Š| ||
| 34 | P | 38.6 | Very low | 37.3 | Very low | 114 Ų | 114 | 97.2 Ų | 97.2 | 74% | 0.74 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -11.2 | -161.3 | 25.1 | -35.2 | 0 | 0 | 0 | 115.6 | ||
| 35 | D | 35.5 | Very low | 37.9 | Very low | 93 Ų | 93 | 101.3 Ų | 101.3 | 50% | 0.497 | 54% | 0.538 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -12.6 | -168.7 | -66.2 | -78.6 | 0 | 0 | 0 | 115 | P33 Q70 | P33-D35 PolarHBondContact O-N 2.07Å; D35-Q70 HydrophobicContact CB-CG 4.33Å; D35-Q70 VanDerWaalsContact OD1-CD 3.29Å; D35-Q70 WeakPolarHBondContact OD1-CG 3.19Å |
| 36 | T | 36.6 | Very low | 38.5 | Very low | 90 Ų | 90 | 100.2 Ų | 100.2 | 55% | 0.552 | 54% | 0.54 | S | S | * | . | S | Bend | trans | -102.2 | -16.2 | -168.5 | -42.9 | 0 | 0 | 0 | 0 | 115.4 | ||
| 37 | W | 35.3 | Very low | 38.4 | Very low | 185 Ų | 185 | 99.1 Ų | 99.1 | 70% | 0.701 | 52% | 0.519 | S | S | * | . | S | Bend | trans | -120.6 | 14.7 | -155.1 | -72.7 | 95.2 | 0 | 0 | 0 | 119.8 | ||
| 38 | V | 36.1 | Very low | 38.9 | Very low | 36 Ų | 36 | 97.7 Ų | 97.7 | 22% | 0.218 | 51% | 0.508 | C | S | . | . | S | Bend | trans | -119.4 | -22.4 | -178.4 | -155 | 0 | 0 | 0 | 0 | 115.6 | Y21 | Y21-V38 HydrophobicContact CD1-CB 3.52Å; Y21-V38 HydrophobicContact CD1-CG1 3.64Å; Y21-V38 HydrophobicContact CG-CB 3.98Å; Y21-V38 HydrophobicContact CG-CG1 4.06Å |
| 39 | A | 39 | Very low | 39.5 | Very low | 28 Ų | 28 | 103.7 Ų | 103.7 | 23% | 0.231 | 52% | 0.523 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y21 S41 M43 | Y21-A39 HydrophobicContact CE1-CB 4.07Å; A39-S41 PolarHBondContact O-N 3.5Å; A39-M43 HydrophobicContact CB-CE 4.34Å; A39-M43 WeakPolarHBondContact O-CG 3.36Å; A39-M43 PolarHBondContact O-N 3.42Å |
| 40 | Y | 38.2 | Very low | 40.4 | Very low | 121 Ų | 121 | 96.6 Ų | 96.6 | 48% | 0.475 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.8 | -41 | 179.4 | -80.2 | -82.8 | 0 | 0 | 0 | 112.6 | V42 M43 D44 | Y40-V42 PolarHBondContact O-N 3.23Å; Y40-M43 PolarHBondContact O-N 3.05Å; Y40-D44 VanDerWaalsContact O-CB 3.29Å; Y40-D44 WeakPolarHBondContact O-CB 3.43Å; Y40-D44 PolarHBondContact O-N 3.42Å |
| 41 | S | 37.8 | Very low | 41 | Very low | 49 Ų | 49 | 93.4 Ų | 93.4 | 34% | 0.343 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.5 | -31.2 | -174.2 | -169.1 | 0 | 0 | 0 | 0 | 113.3 | A39 Y45 | A39-S41 PolarHBondContact O-N 3.5Å; S41-Y45 WeakPolarHBondContact O-CB 3.17Å; S41-Y45 PolarHBondContact O-N 3.28Å |
| 42 | V | 40 | Very low | 41.8 | Very low | 52 Ų | 52 | 89.4 Ų | 89.4 | 32% | 0.315 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -80.4 | -41 | 178.1 | -178.2 | 0 | 0 | 0 | 0 | 110.6 | Y40 Y45 A46 | Y40-V42 PolarHBondContact O-N 3.23Å; V42-Y45 PolarHBondContact O-N 2.97Å; V42-A46 VanDerWaalsContact O-CB 3.27Å; V42-A46 WeakPolarHBondContact O-CB 3.24Å; V42-A46 PolarHBondContact O-N 2.99Å |
| 43 | M | 44.3 | Very low | 42.6 | Very low | 25 Ų | 25 | 82.3 Ų | 82.3 | 12% | 0.123 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.7 | -43.3 | 178.7 | -70.8 | -168.2 | -66.9 | 0 | 0 | 112 | L14 A39 Y40 Y45 Y47 F50 | L14-M43 HydrophobicContact CD1-CG 4.37Å; A39-M43 HydrophobicContact CB-CE 4.34Å; A39-M43 WeakPolarHBondContact O-CG 3.36Å; A39-M43 PolarHBondContact O-N 3.42Å; Y40-M43 PolarHBondContact O-N 3.05Å; M43-Y45 VanDerWaalsContact C-N 3.31Å; M43-Y45 PolarHBondContact O-N 3.45Å; M43-Y47 CarbonylContact O-C 3.11Å; M43-Y47 VanDerWaalsContact O-CA 3.3Å; M43-Y47 WeakPolarHBondContact O-CA 3.48Å; M43-Y47 PolarHBondContact O-N 3.29Å; M43-Y47 VanDerWaalsContact O-O 3.05Å; M43-F50 HydrophobicContact SD-CD1 4.43Å; M43-F50 HydrophobicContact SD-CE1 3.86Å |
| 44 | D | 43.2 | Very low | 43.4 | Very low | 98 Ų | 98 | 78.9 Ų | 78.9 | 52% | 0.524 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -66.9 | -34.7 | 177.9 | -159.1 | -106.3 | 0 | 0 | 0 | 111.7 | Y40 P48 | Y40-D44 VanDerWaalsContact O-CB 3.29Å; Y40-D44 WeakPolarHBondContact O-CB 3.43Å; Y40-D44 PolarHBondContact O-N 3.42Å; D44-P48 VanDerWaalsContact O-CA 3.24Å; D44-P48 WeakPolarHBondContact O-CA 3.36Å; D44-P48 WeakPolarHBondContact O-CB 3.27Å; D44-P48 WeakPolarHBondContact O-CD 3.11Å |
| 45 | Y | 42.5 | Very low | 43.9 | Very low | 207 Ų | 207 | 75.6 Ų | 75.6 | 81% | 0.812 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -76 | -44.7 | 178.9 | -170.8 | -94.3 | 0 | 0 | 0 | 113.5 | S41 V42 M43 | S41-Y45 WeakPolarHBondContact O-CB 3.17Å; S41-Y45 PolarHBondContact O-N 3.28Å; V42-Y45 PolarHBondContact O-N 2.97Å; M43-Y45 VanDerWaalsContact C-N 3.31Å; M43-Y45 PolarHBondContact O-N 3.45Å |
| 46 | A | 46.4 | Very low | 44.5 | Very low | 52 Ų | 52 | 74.3 Ų | 74.3 | 43% | 0.43 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -83 | -31.4 | -177 | 0 | 0 | 0 | 0 | 0 | 112.4 | V42 | V42-A46 VanDerWaalsContact O-CB 3.27Å; V42-A46 WeakPolarHBondContact O-CB 3.24Å; V42-A46 PolarHBondContact O-N 2.99Å |
| 47 | Y | 45.5 | Very low | 44.9 | Very low | 111 Ų | 111 | 72.4 Ų | 72.4 | 44% | 0.435 | 38% | 0.382 | S | S | . | . | trans | -142.1 | 69.8 | -175.8 | -58.7 | -85.2 | 0 | 0 | 0 | 110.5 | L14 M43 E49 F50 G51 | L14-Y47 HydrophobicContact CD1-CD2 3.66Å; L14-Y47 HydrophobicContact CD1-CE2 3.87Å; L14-Y47 HydrophobicContact CD1-CG 4.49Å; L14-Y47 HydrophobicContact CD2-CD2 4.09Å; L14-Y47 HydrophobicContact CD2-CE2 3.44Å; L14-Y47 VanDerWaalsContact CD2-CE2 3.44Å; L14-Y47 HydrophobicContact CG-CE2 4.29Å; M43-Y47 CarbonylContact O-C 3.11Å; M43-Y47 VanDerWaalsContact O-CA 3.3Å; M43-Y47 WeakPolarHBondContact O-CA 3.48Å; M43-Y47 PolarHBondContact O-N 3.29Å; M43-Y47 VanDerWaalsContact O-O 3.05Å; Y47-E49 VanDerWaalsContact C-N 3.28Å; Y47-E49 PolarHBondContact O-N 3.36Å; Y47-F50 VanDerWaalsContact CB-CB 3.5Å; Y47-F50 CarbonylContact O-C 3.58Å; Y47-F50 WeakPolarHBondContact O-CA 3.38Å; Y47-F50 VanDerWaalsContact O-CB 3.27Å; Y47-F50 WeakPolarHBondContact O-CB 3.16Å; Y47-F50 PolarHBondContact O-N 3.36Å; Y47-G51 PolarHBondContact O-N 3.44Å | ||
| 48 | P | 49.3 | Very low | 45.4 | Very low | 74 Ų | 74 | 65.3 Ų | 65.3 | 48% | 0.481 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -57.8 | -38.8 | -176.2 | 20.5 | -32.5 | 0 | 0 | 0 | 113 | D44 F50 G51 A52 | D44-P48 VanDerWaalsContact O-CA 3.24Å; D44-P48 WeakPolarHBondContact O-CA 3.36Å; D44-P48 WeakPolarHBondContact O-CB 3.27Å; D44-P48 WeakPolarHBondContact O-CD 3.11Å; P48-F50 VanDerWaalsContact C-N 3.27Å; P48-F50 PolarHBondContact O-N 3.49Å; P48-G51 PolarHBondContact O-N 2.9Å; P48-A52 VanDerWaalsContact O-CB 3.28Å; P48-A52 WeakPolarHBondContact O-CB 3.46Å; P48-A52 PolarHBondContact O-N 3.31Å |
| 49 | E | 49.5 | Very low | 45.9 | Very low | 170 Ų | 170 | 67.9 Ų | 67.9 | 79% | 0.794 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.8 | -32.9 | 176.7 | -63.9 | -177.2 | 92.8 | 0 | 0 | 112.5 | Y47 S53 | Y47-E49 VanDerWaalsContact C-N 3.28Å; Y47-E49 PolarHBondContact O-N 3.36Å; E49-S53 WeakPolarHBondContact O-CB 3.44Å; E49-S53 PolarHBondContact O-N 2.9Å; E49-S53 PolarHBondContact O-OG 3.44Å |
| 50 | F | 51 | Low | 46.3 | Very low | 20 Ų | 20 | 71.7 Ų | 71.7 | 9% | 0.088 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -74.2 | -48.4 | 176.4 | 179.8 | -104.7 | 0 | 0 | 0 | 110.8 | D7 V10 C11 L14 M43 Y47 P48 A52 S53 V54 | D7-F50 HydrophobicContact CB-CE2 3.75Å; D7-F50 HydrophobicContact CB-CZ 4.47Å; D7-F50 WeakPolarHBondContact O-CE2 3.49Å; D7-F50 WeakPolarHBondContact O-CZ 3.17Å; D7-F50 WeakPolarHBondContact OD1-CD2 3.26Å; D7-F50 VanDerWaalsContact OD1-CE2 3.24Å; D7-F50 WeakPolarHBondContact OD1-CE2 3.28Å; V10-F50 HydrophobicContact CB-CD2 4.47Å; V10-F50 HydrophobicContact CB-CE2 3.83Å; V10-F50 HydrophobicContact CB-CZ 3.85Å; V10-F50 HydrophobicContact CG1-CD1 4.25Å; V10-F50 HydrophobicContact CG1-CD2 4.09Å; V10-F50 HydrophobicContact CG1-CE1 3.95Å; V10-F50 HydrophobicContact CG1-CE2 3.81Å; V10-F50 HydrophobicContact CG1-CG 4.3Å; V10-F50 HydrophobicContact CG1-CZ 3.71Å; C11-F50 HydrophobicContact CB-CZ 4.22Å; C11-F50 VanDerWaalsContact SG-CE1 3.56Å; C11-F50 WeakPolarHBondContact SG-CZ 3.29Å; L14-F50 HydrophobicContact CD1-CD1 4.39Å; L14-F50 HydrophobicContact CD1-CE1 4.28Å; M43-F50 HydrophobicContact SD-CD1 4.43Å; M43-F50 HydrophobicContact SD-CE1 3.86Å; Y47-F50 VanDerWaalsContact CB-CB 3.5Å; Y47-F50 CarbonylContact O-C 3.58Å; Y47-F50 WeakPolarHBondContact O-CA 3.38Å; Y47-F50 VanDerWaalsContact O-CB 3.27Å; Y47-F50 WeakPolarHBondContact O-CB 3.16Å; Y47-F50 PolarHBondContact O-N 3.36Å; P48-F50 VanDerWaalsContact C-N 3.27Å; P48-F50 PolarHBondContact O-N 3.49Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.32Å; F50-S53 WeakPolarHBondContact O-CB 3.14Å; F50-S53 PolarHBondContact O-N 2.9Å; F50-V54 HydrophobicContact CD1-CG2 4.23Å; F50-V54 HydrophobicContact CD2-CG2 4.33Å; F50-V54 HydrophobicContact CE1-CG2 3.8Å; F50-V54 HydrophobicContact CE2-CG2 3.86Å; F50-V54 HydrophobicContact CG-CG2 4.48Å; F50-V54 HydrophobicContact CZ-CG2 3.59Å; F50-V54 WeakPolarHBondContact O-CG2 3.39Å; F50-V54 PolarHBondContact O-N 3.15Å |
| 51 | G | 50.6 | Low | 46.5 | Very low | 11 Ų | 11 | 68.8 Ų | 68.8 | 11% | 0.113 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -54.1 | -46.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y47 P48 S53 V54 A55 | Y47-G51 PolarHBondContact O-N 3.44Å; P48-G51 PolarHBondContact O-N 2.9Å; G51-S53 PolarHBondContact O-N 3.29Å; G51-V54 PolarHBondContact O-N 2.88Å; G51-A55 WeakPolarHBondContact O-CB 3.34Å; G51-A55 PolarHBondContact O-N 2.69Å |
| 52 | A | 52.3 | Low | 46.8 | Very low | 57 Ų | 57 | 72.6 Ų | 72.6 | 47% | 0.471 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.9 | -39.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | P48 F50 S56 | P48-A52 VanDerWaalsContact O-CB 3.28Å; P48-A52 WeakPolarHBondContact O-CB 3.46Å; P48-A52 PolarHBondContact O-N 3.31Å; F50-A52 VanDerWaalsContact C-N 3.3Å; F50-A52 PolarHBondContact O-N 3.32Å; A52-S56 WeakPolarHBondContact O-CB 3.41Å; A52-S56 PolarHBondContact O-N 2.88Å |
| 53 | S | 49.5 | Very low | 47.1 | Very low | 50 Ų | 50 | 72.3 Ų | 72.3 | 35% | 0.35 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.5 | -43 | 177.8 | -66.1 | 0 | 0 | 0 | 0 | 112.3 | E49 F50 G51 R57 | E49-S53 WeakPolarHBondContact O-CB 3.44Å; E49-S53 PolarHBondContact O-N 2.9Å; E49-S53 PolarHBondContact O-OG 3.44Å; F50-S53 WeakPolarHBondContact O-CB 3.14Å; F50-S53 PolarHBondContact O-N 2.9Å; G51-S53 PolarHBondContact O-N 3.29Å; S53-R57 WeakPolarHBondContact O-CB 3.09Å; S53-R57 VanDerWaalsContact O-CG 3.28Å; S53-R57 WeakPolarHBondContact O-CG 3.24Å; S53-R57 PolarHBondContact O-N 2.75Å |
| 54 | V | 50.1 | Low | 46.8 | Very low | 13 Ų | 13 | 75.4 Ų | 75.4 | 8% | 0.079 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 175.5 | 173.4 | 0 | 0 | 0 | 0 | 109.7 | F50 G51 S56 R57 C58 I63 | F50-V54 HydrophobicContact CD1-CG2 4.23Å; F50-V54 HydrophobicContact CD2-CG2 4.33Å; F50-V54 HydrophobicContact CE1-CG2 3.8Å; F50-V54 HydrophobicContact CE2-CG2 3.86Å; F50-V54 HydrophobicContact CG-CG2 4.48Å; F50-V54 HydrophobicContact CZ-CG2 3.59Å; F50-V54 WeakPolarHBondContact O-CG2 3.39Å; F50-V54 PolarHBondContact O-N 3.15Å; G51-V54 PolarHBondContact O-N 2.88Å; V54-S56 PolarHBondContact O-N 3.44Å; V54-R57 PolarHBondContact O-N 2.86Å; V54-C58 WeakPolarHBondContact O-CB 3.31Å; V54-C58 PolarHBondContact O-N 2.78Å; V54-I63 HydrophobicContact CB-CD1 4.4Å; V54-I63 HydrophobicContact CG1-CD1 3.65Å; V54-I63 WeakPolarHBondContact O-CD1 3.45Å |
| 55 | A | 50.4 | Low | 46.7 | Very low | 46 Ų | 46 | 73.4 Ų | 73.4 | 38% | 0.38 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -45.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G51 R57 C58 A59 | G51-A55 WeakPolarHBondContact O-CB 3.34Å; G51-A55 PolarHBondContact O-N 2.69Å; A55-R57 PolarHBondContact O-N 3.38Å; A55-C58 PolarHBondContact O-N 3.09Å; A55-A59 WeakPolarHBondContact O-CB 3.35Å; A55-A59 PolarHBondContact O-N 2.96Å |
| 56 | S | 47.2 | Very low | 46.2 | Very low | 66 Ų | 66 | 68.3 Ų | 68.3 | 46% | 0.462 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -59 | -49 | 174.7 | -171 | 0 | 0 | 0 | 0 | 110.5 | A52 V54 C58 A59 D60 | A52-S56 WeakPolarHBondContact O-CB 3.41Å; A52-S56 PolarHBondContact O-N 2.88Å; V54-S56 PolarHBondContact O-N 3.44Å; S56-C58 VanDerWaalsContact C-N 3.28Å; S56-C58 PolarHBondContact O-N 3.38Å; S56-A59 CarbonylContact O-C 3.58Å; S56-A59 WeakPolarHBondContact O-CB 3.44Å; S56-A59 PolarHBondContact O-N 3.35Å; S56-A59 VanDerWaalsContact O-N 3.12Å; S56-D60 PolarHBondContact O-N 2.75Å; S56-D60 PolarHBondContact OG-OD2 3.35Å |
| 57 | R | 45.9 | Very low | 45.5 | Very low | 50 Ų | 50 | 68.3 Ų | 68.3 | 19% | 0.189 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -65.3 | -31.3 | -179.9 | -71.5 | -179.4 | -170.7 | 173.3 | 15.6 | 113.3 | D7 S53 V54 A55 G61 L62 I63 | D7-R57 IonicContact OD2-CZ 3.08Å; D7-R57 IonicContact OD2-NH1 2.72Å; D7-R57 PolarHBondContact OD2-NH1 2.86Å; D7-R57 IonicContact OD2-NH2 2.75Å; D7-R57 PolarHBondContact OD2-NH2 3.4Å; S53-R57 WeakPolarHBondContact O-CB 3.09Å; S53-R57 VanDerWaalsContact O-CG 3.28Å; S53-R57 WeakPolarHBondContact O-CG 3.24Å; S53-R57 PolarHBondContact O-N 2.75Å; V54-R57 PolarHBondContact O-N 2.86Å; A55-R57 PolarHBondContact O-N 3.38Å; R57-G61 PolarHBondContact O-N 2.96Å; R57-L62 HydrophobicContact CB-CB 4.43Å; R57-L62 HydrophobicContact CG-CD1 4.42Å; R57-L62 PolarHBondContact O-N 2.71Å; R57-I63 HydrophobicContact CB-CD1 4Å; R57-I63 HydrophobicContact CB-CG1 3.97Å; R57-I63 PolarHBondContact O-N 2.94Å |
| 58 | C | 46.1 | Very low | 44.7 | Very low | 35 Ų | 35 | 69.1 Ų | 69.1 | 24% | 0.236 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -72.1 | -38.8 | 175 | -161.9 | 0 | 0 | 0 | 0 | 110.2 | V54 A55 S56 D60 G61 I63 C65 | V54-C58 WeakPolarHBondContact O-CB 3.31Å; V54-C58 PolarHBondContact O-N 2.78Å; A55-C58 PolarHBondContact O-N 3.09Å; S56-C58 VanDerWaalsContact C-N 3.28Å; S56-C58 PolarHBondContact O-N 3.38Å; C58-D60 VanDerWaalsContact C-N 3.35Å; C58-G61 PolarHBondContact O-N 2.99Å; C58-I63 WeakPolarHBondContact CA-O 3.07Å; C58-I63 HydrophobicContact CB-CD1 4.12Å; C58-I63 HydrophobicContact CB-CG1 3.75Å; C58-I63 PolarHBondContact SG-O 2.77Å; C58-C65 WeakPolarHBondContact CB-SG 3.25Å; C58-C65 WeakPolarHBondContact SG-CB 3.3Å; C58-C65 CovalentContact SG-SG 2.07Å; C58-C65 PolarHBondContact SG-SG 3.37Å |
| 59 | A | 45.7 | Very low | 44 | Very low | 91 Ų | 91 | 69.8 Ų | 69.8 | 75% | 0.752 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64.9 | -36.7 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | A55 S56 G61 | A55-A59 WeakPolarHBondContact O-CB 3.35Å; A55-A59 PolarHBondContact O-N 2.96Å; S56-A59 CarbonylContact O-C 3.58Å; S56-A59 WeakPolarHBondContact O-CB 3.44Å; S56-A59 PolarHBondContact O-N 3.35Å; S56-A59 VanDerWaalsContact O-N 3.12Å; A59-G61 PolarHBondContact O-N 3.08Å |
| 60 | D | 47.2 | Very low | 43 | Very low | 108 Ų | 108 | 66.1 Ų | 66.1 | 58% | 0.578 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.7 | -4.5 | 172.6 | -71.7 | -65.5 | 0 | 0 | 0 | 112.9 | S56 C58 L62 | S56-D60 PolarHBondContact O-N 2.75Å; S56-D60 PolarHBondContact OG-OD2 3.35Å; C58-D60 VanDerWaalsContact C-N 3.35Å; D60-L62 HydrophobicContact CB-CD1 4.03Å; D60-L62 HydrophobicContact CB-CG 3.93Å; D60-L62 PolarHBondContact O-N 3.04Å; D60-L62 VanDerWaalsContact O-N 3.15Å |
| 61 | G | 43.3 | Very low | 42.1 | Very low | 59 Ų | 59 | 68.7 Ų | 68.7 | 61% | 0.608 | 46% | 0.456 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.3 | 9 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | R57 C58 A59 I63 | R57-G61 PolarHBondContact O-N 2.96Å; C58-G61 PolarHBondContact O-N 2.99Å; A59-G61 PolarHBondContact O-N 3.08Å; G61-I63 VanDerWaalsContact C-N 3.29Å |
| 62 | L | 43.7 | Very low | 40.9 | Very low | 130 Ų | 130 | 71.3 Ų | 71.3 | 68% | 0.681 | 47% | 0.472 | S | S | * | . | S | Bend | trans | -71.6 | -29.3 | 178.1 | -64.7 | 173.9 | 0 | 0 | 0 | 111.7 | R57 D60 | R57-L62 HydrophobicContact CB-CB 4.43Å; R57-L62 HydrophobicContact CG-CD1 4.42Å; R57-L62 PolarHBondContact O-N 2.71Å; D60-L62 HydrophobicContact CB-CD1 4.03Å; D60-L62 HydrophobicContact CB-CG 3.93Å; D60-L62 PolarHBondContact O-N 3.04Å; D60-L62 VanDerWaalsContact O-N 3.15Å |
| 63 | I | 45.4 | Very low | 39.8 | Very low | 46 Ų | 46 | 75.6 Ų | 75.6 | 24% | 0.236 | 49% | 0.492 | C | S | . | . | S | Bend | trans | -121 | 125.5 | 168.1 | 61.3 | 178.9 | 0 | 0 | 0 | 107.8 | V54 R57 C58 G61 C65 | V54-I63 HydrophobicContact CB-CD1 4.4Å; V54-I63 HydrophobicContact CG1-CD1 3.65Å; V54-I63 WeakPolarHBondContact O-CD1 3.45Å; R57-I63 HydrophobicContact CB-CD1 4Å; R57-I63 HydrophobicContact CB-CG1 3.97Å; R57-I63 PolarHBondContact O-N 2.94Å; C58-I63 WeakPolarHBondContact CA-O 3.07Å; C58-I63 HydrophobicContact CB-CD1 4.12Å; C58-I63 HydrophobicContact CB-CG1 3.75Å; C58-I63 PolarHBondContact SG-O 2.77Å; G61-I63 VanDerWaalsContact C-N 3.29Å; I63-C65 PolarHBondContact O-N 3.03Å |
| 64 | S | 37.8 | Very low | 38.7 | Very low | 90 Ų | 90 | 76.1 Ų | 76.1 | 63% | 0.629 | 51% | 0.506 | S | S | * | . | trans | -85.6 | 109.6 | 174 | -171.2 | 0 | 0 | 0 | 0 | 107.6 | S66 | S64-S66 PolarHBondContact O-N 2.82Å; S64-S66 VanDerWaalsContact O-N 3.09Å; S64-S66 WeakPolarHBondContact OG-CB 3.45Å; S64-S66 PolarHBondContact OG-N 2.92Å; S64-S66 PolarHBondContact OG-OG 3.33Å | ||
| 65 | C | 42.1 | Very low | 37.7 | Very low | 56 Ų | 56 | 82.3 Ų | 82.3 | 38% | 0.378 | 54% | 0.538 | S | S | . | . | trans | -75.5 | 22.5 | 165.4 | -49.2 | 0 | 0 | 0 | 0 | 111.2 | C58 I63 | C58-C65 WeakPolarHBondContact CB-SG 3.25Å; C58-C65 WeakPolarHBondContact SG-CB 3.3Å; C58-C65 CovalentContact SG-SG 2.07Å; C58-C65 PolarHBondContact SG-SG 3.37Å; I63-C65 PolarHBondContact O-N 3.03Å | ||
| 66 | S | 30.9 | Very low | 36.6 | Very low | 100 Ų | 100 | 86 Ų | 86 | 70% | 0.699 | 56% | 0.556 | S | S | * | * | trans | -93.2 | 112.7 | -175.7 | -43.2 | 0 | 0 | 0 | 0 | 109.5 | S64 | S64-S66 PolarHBondContact O-N 2.82Å; S64-S66 VanDerWaalsContact O-N 3.09Å; S64-S66 WeakPolarHBondContact OG-CB 3.45Å; S64-S66 PolarHBondContact OG-N 2.92Å; S64-S66 PolarHBondContact OG-OG 3.33Å | ||
| 67 | G | 32.8 | Very low | 35.9 | Very low | 52 Ų | 52 | 86.8 Ų | 86.8 | 54% | 0.536 | 56% | 0.561 | S | S | . | * | S | Bend | trans | 108.8 | 108.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | C69 | G67-C69 PolarHBondContact O-N 3.1Š|
| 68 | D | 28.8 | Very low | 35 | Very low | 128 Ų | 128 | 93.5 Ų | 93.5 | 68% | 0.684 | 60% | 0.595 | S | S | * | * | trans | 40.6 | 57 | 147.2 | -65.2 | -102.8 | 0 | 0 | 0 | 115.5 | Q70 | D68-Q70 PolarHBondContact O-N 3.37Š| ||
| 69 | C | 33.8 | Very low | 34.1 | Very low | 88 Ų | 88 | 96.3 Ų | 96.3 | 60% | 0.595 | 62% | 0.615 | S | S | * | * | trans | -69 | 28.1 | 149.1 | -72.2 | 0 | 0 | 0 | 0 | 111.1 | G67 P71 | G67-C69 PolarHBondContact O-N 3.1Å; C69-P71 VanDerWaalsContact O-CD 3.25Å; C69-P71 WeakPolarHBondContact O-CD 3.34Å | ||
| 70 | Q | 28.3 | Very low | 33.4 | Very low | 92 Ų | 92 | 97.3 Ų | 97.3 | 43% | 0.43 | 61% | 0.614 | S | S | . | * | S | Bend | trans | -54.6 | 118.6 | 139.8 | -85.8 | -163.3 | -95.6 | 0 | 0 | 105.4 | D35 D68 S72 | D35-Q70 HydrophobicContact CB-CG 4.33Å; D35-Q70 VanDerWaalsContact OD1-CD 3.29Å; D35-Q70 WeakPolarHBondContact OD1-CG 3.19Å; D68-Q70 PolarHBondContact O-N 3.37Å; Q70-S72 PolarHBondContact O-N 3.45Å |
| 71 | P | 32.7 | Very low | 32.6 | Very low | 75 Ų | 75 | 96.6 Ų | 96.6 | 49% | 0.487 | 62% | 0.623 | S | S | . | * | trans | -63 | 82.5 | 173.2 | 26.5 | -33.5 | 0 | 0 | 0 | 108.7 | Y21 C69 V73 | Y21-P71 HydrophobicContact CE2-CG 4.49Å; C69-P71 VanDerWaalsContact O-CD 3.25Å; C69-P71 WeakPolarHBondContact O-CD 3.34Å; P71-V73 PolarHBondContact O-N 3.05Å | ||
| 72 | S | 25.5 | Very low | 32.1 | Very low | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 64% | 0.637 | S | S | . | * | trans | -80.7 | 97.2 | 167.7 | -64.9 | 0 | 0 | 0 | 0 | 104.7 | Q70 G74 N75 | Q70-S72 PolarHBondContact O-N 3.45Å; S72-G74 PolarHBondContact O-N 3.47Å; S72-N75 PolarHBondContact O-N 3.18Å; S72-N75 VanDerWaalsContact O-N 3.15Å | ||
| 73 | V | 28.4 | Very low | 31.3 | Very low | 146 Ų | 146 | 97.8 Ų | 97.8 | 89% | 0.885 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -41.2 | 102.9 | 173.2 | -179.3 | 0 | 0 | 0 | 0 | 108.7 | P71 | P71-V73 PolarHBondContact O-N 3.05Š|
| 74 | G | 27.5 | Very low | 30.5 | Very low | 62 Ų | 62 | 105 Ų | 105 | 64% | 0.639 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 122.5 | -10.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 118 | S72 T76 | S72-G74 PolarHBondContact O-N 3.47Å; G74-T76 PolarHBondContact O-N 3.06Å; G74-T76 VanDerWaalsContact O-N 3.07Å |
| 75 | N | 27.6 | Very low | 30.1 | Very low | 142 Ų | 142 | 113.3 Ų | 113.3 | 76% | 0.759 | 70% | 0.697 | S | S | * | * | trans | -83.2 | 92.3 | 174.3 | -84.1 | -12 | 0 | 0 | 0 | 111.2 | S72 C77 | S72-N75 PolarHBondContact O-N 3.18Å; S72-N75 VanDerWaalsContact O-N 3.15Å; N75-C77 PolarHBondContact O-N 3.1Å | ||
| 76 | T | 27.4 | Very low | 29.5 | Very low | 123 Ų | 123 | 116.2 Ų | 116.2 | 76% | 0.755 | 71% | 0.713 | S | S | * | * | trans | -60.3 | 122.3 | 169.7 | -18.5 | 0 | 0 | 0 | 0 | 108.4 | G74 Q78 | G74-T76 PolarHBondContact O-N 3.06Å; G74-T76 VanDerWaalsContact O-N 3.07Å; T76-Q78 PolarHBondContact O-N 2.63Å | ||
| 77 | C | 33.8 | Very low | 29.5 | Very low | 84 Ų | 84 | 117 Ų | 117 | 57% | 0.568 | 71% | 0.713 | S | S | * | * | trans | -57.4 | 107.3 | 172.9 | -56.9 | 0 | 0 | 0 | 0 | 108.6 | L8 N75 S79 | L8-C77 HydrophobicContact CD1-CB 4.37Å; L8-C77 HydrophobicContact CD2-CB 4.07Å; N75-C77 PolarHBondContact O-N 3.1Å; C77-S79 PolarHBondContact O-N 3.15Å; C77-S79 VanDerWaalsContact O-N 3.1Å | ||
| 78 | Q | 25 | Very low | 29.3 | Very low | 190 Ų | 190 | 120.6 Ų | 120.6 | 89% | 0.888 | 72% | 0.723 | S | S | * | * | trans | -70.3 | 107.7 | 173.2 | -73.9 | -173.7 | -41.2 | 0 | 0 | 107.6 | T76 | T76-Q78 PolarHBondContact O-N 2.63Š| ||
| 79 | S | 28.1 | Very low | 29.3 | Very low | 94 Ų | 94 | 120.2 Ų | 120.2 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | trans | -49.7 | 134.8 | 161 | -75.9 | 0 | 0 | 0 | 0 | 108.1 | C77 A81 | C77-S79 PolarHBondContact O-N 3.15Å; C77-S79 VanDerWaalsContact O-N 3.1Å; S79-A81 PolarHBondContact O-N 3.18Å | ||
| 80 | P | 30.7 | Very low | 29 | Very low | 113 Ų | 113 | 122.2 Ų | 122.2 | 73% | 0.734 | 73% | 0.734 | S | S | * | * | trans | -53.2 | 124.2 | 175.4 | 22.2 | -31.5 | 0 | 0 | 0 | 107.4 | V82 | P80-V82 VanDerWaalsContact C-N 3.32Å; P80-V82 PolarHBondContact O-N 2.84Å | ||
| 81 | A | 30.7 | Very low | 29.1 | Very low | 93 Ų | 93 | 124.2 Ų | 124.2 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -54.2 | 97.6 | -178.5 | 0 | 0 | 0 | 0 | 0 | 109 | S79 G83 | S79-A81 PolarHBondContact O-N 3.18Å; A81-G83 VanDerWaalsContact C-N 3.27Å; A81-G83 PolarHBondContact O-N 3.07Å | ||
| 82 | V | 33.4 | Very low | 28.8 | Very low | 151 Ų | 151 | 127.7 Ų | 127.7 | 92% | 0.915 | 77% | 0.773 | S | S | * | * | trans | -73.4 | 92.2 | 163.4 | 174 | 0 | 0 | 0 | 0 | 104.8 | P80 | P80-V82 VanDerWaalsContact C-N 3.32Å; P80-V82 PolarHBondContact O-N 2.84Å | ||
| 83 | G | 27.4 | Very low | 29.1 | Very low | 63 Ų | 63 | 132.5 Ų | 132.5 | 65% | 0.649 | 80% | 0.797 | S | S | * | * | trans | 144.2 | 69.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | A81 | A81-G83 VanDerWaalsContact C-N 3.27Å; A81-G83 PolarHBondContact O-N 3.07Å | ||
| 84 | E | 27.2 | Very low | 29.1 | Very low | 197 Ų | 197 | 131.3 Ų | 131.3 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -129.1 | 85 | 144.1 | -71.5 | -164.4 | 96.6 | 0 | 0 | 108 | ||||
| 85 | H | 30.5 | Very low | 29.3 | Very low | 264 Ų | 264 | 137.6 Ų | 137.6 | 100% | 1.222 | 80% | 0.803 | S | S | * | * | trans | -156.4 | 0 | 150.2 | -138.4 | 132.1 | 0 | 0 | 0 | 109.3 |
Retrieved 85 of 85 residues in 39.4 ms
(Link to these results)