| 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 | 55.4 | Low | 63.7 | Low | 251 Ų | 251 | 101.4 Ų | 101.4 | 100% | 1.236 | 75% | 0.752 | S | S | * | * | 0 | 96.8 | 0 | -64.8 | -170.8 | -158.9 | 0 | 0 | 108.5 | |||||
| 2 | A | 53 | Low | 65.5 | Low | 97 Ų | 97 | 98.3 Ų | 98.3 | 80% | 0.802 | 73% | 0.734 | S | S | * | * | trans | -162 | 86.5 | 168.7 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 3 | S | 62.3 | Low | 67.1 | Low | 125 Ų | 125 | 95.5 Ų | 95.5 | 87% | 0.874 | 72% | 0.716 | S | S | * | * | trans | -150.1 | 94.5 | 172.1 | -57.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 4 | S | 60.8 | Low | 68.7 | Low | 120 Ų | 120 | 92.6 Ų | 92.6 | 84% | 0.839 | 70% | 0.698 | S | S | * | * | trans | -162.5 | 21.1 | 168.7 | 66 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 5 | S | 62.8 | Low | 70.2 | Confident | 122 Ų | 122 | 89.6 Ų | 89.6 | 85% | 0.853 | 68% | 0.678 | S | S | * | * | trans | -91.5 | 3.5 | -178.2 | 55.3 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 6 | G | 59.1 | Low | 71.6 | Confident | 67 Ų | 67 | 87.8 Ų | 87.8 | 69% | 0.691 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -77.8 | -18.4 | -174.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||
| 7 | A | 59.3 | Low | 72.9 | Confident | 86 Ų | 86 | 88.8 Ų | 88.8 | 71% | 0.711 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -80.8 | -26.9 | -170.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 8 | G | 62.3 | Low | 74 | Confident | 57 Ų | 57 | 90.6 Ų | 90.6 | 59% | 0.588 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -74 | -29.9 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||
| 9 | G | 70.1 | Confident | 75.2 | Confident | 52 Ų | 52 | 90.9 Ų | 90.9 | 54% | 0.536 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -73.9 | -37.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | A12 A13 | G9-A12 PolarHBondContact O-N 3.27Å; G9-A13 WeakPolarHBondContact O-CB 3.32Å; G9-A13 PolarHBondContact O-N 2.97Å |
| 10 | A | 74.7 | Confident | 76.2 | Confident | 70 Ų | 70 | 88.6 Ų | 88.6 | 58% | 0.579 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -68.6 | -40.3 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A13 A14 | A10-A13 PolarHBondContact O-N 3.46Å; A10-A14 WeakPolarHBondContact O-CB 3.48Å; A10-A14 PolarHBondContact O-N 3.05Å |
| 11 | A | 80.5 | Confident | 77.1 | Confident | 68 Ų | 68 | 88.1 Ų | 88.1 | 56% | 0.562 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -67.1 | -40.4 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | A14 A15 | A11-A14 PolarHBondContact O-N 2.96Å; A11-A15 PolarHBondContact O-N 3.31Å |
| 12 | A | 85.5 | Confident | 79 | Confident | 65 Ų | 65 | 84.3 Ų | 84.3 | 54% | 0.537 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -64.9 | -42.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | G9 A15 A16 | G9-A12 PolarHBondContact O-N 3.27Å; A12-A15 PolarHBondContact O-N 3.38Å; A12-A16 PolarHBondContact O-N 3.07Å |
| 13 | A | 86.6 | Confident | 81.1 | Confident | 61 Ų | 61 | 86 Ų | 86 | 50% | 0.504 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.7 | -41.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | G9 A10 A16 N17 | G9-A13 WeakPolarHBondContact O-CB 3.32Å; G9-A13 PolarHBondContact O-N 2.97Å; A10-A13 PolarHBondContact O-N 3.46Å; A13-A16 PolarHBondContact O-N 3.34Å; A13-N17 PolarHBondContact O-N 2.98Å |
| 14 | A | 89.2 | Confident | 82.8 | Confident | 55 Ų | 55 | 83.9 Ų | 83.9 | 46% | 0.455 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.4 | -42.8 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | A10 A11 N17 L18 | A10-A14 WeakPolarHBondContact O-CB 3.48Å; A10-A14 PolarHBondContact O-N 3.05Å; A11-A14 PolarHBondContact O-N 2.96Å; A14-N17 PolarHBondContact O-N 3.44Å; A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 3.34Å |
| 15 | A | 90.6 | Very high | 84.5 | Confident | 48 Ų | 48 | 79.7 Ų | 79.7 | 40% | 0.397 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -63.8 | -42.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A11 A12 N17 L18 N19 | A11-A15 PolarHBondContact O-N 3.31Å; A12-A15 PolarHBondContact O-N 3.38Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 3.06Å; A15-L18 PolarHBondContact O-N 3.35Å; A15-N19 PolarHBondContact O-N 3.14Å; A15-N19 VanDerWaalsContact O-N 3.07Å |
| 16 | A | 93.2 | Very high | 86.2 | Confident | 61 Ų | 61 | 77.3 Ų | 77.3 | 50% | 0.504 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A12 A13 N19 A20 | A12-A16 PolarHBondContact O-N 3.07Å; A13-A16 PolarHBondContact O-N 3.34Å; A16-N19 PolarHBondContact O-N 3.49Å; A16-A20 PolarHBondContact O-N 3.29Å |
| 17 | N | 94.4 | Very high | 88 | Confident | 105 Ų | 105 | 78.1 Ų | 78.1 | 56% | 0.561 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -42.2 | 177.9 | -170.6 | 56.5 | 0 | 0 | 0 | 112.3 | A13 A14 A15 N19 A20 V21 | A13-N17 PolarHBondContact O-N 2.98Å; A14-N17 PolarHBondContact O-N 3.44Å; A15-N17 VanDerWaalsContact C-N 3.32Å; A15-N17 PolarHBondContact O-N 3.06Å; N17-N19 VanDerWaalsContact C-N 3.31Å; N17-N19 PolarHBondContact O-N 3.12Å; N17-A20 PolarHBondContact O-N 3.01Å; N17-V21 WeakPolarHBondContact O-CG2 3.43Å; N17-V21 PolarHBondContact O-N 2.95Å |
| 18 | L | 92.9 | Very high | 89.8 | Confident | 121 Ų | 121 | 76.9 Ų | 76.9 | 63% | 0.634 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.8 | -39.5 | 176.1 | -71.3 | 173.3 | 0 | 0 | 0 | 112.1 | A14 A15 V21 R22 | A14-L18 WeakPolarHBondContact O-CG 3.46Å; A14-L18 PolarHBondContact O-N 3.34Å; A15-L18 PolarHBondContact O-N 3.35Å; L18-V21 PolarHBondContact O-N 3.29Å; L18-R22 WeakPolarHBondContact O-CB 3.43Å; L18-R22 PolarHBondContact O-N 3.36Å |
| 19 | N | 95.4 | Very high | 91.5 | Very high | 97 Ų | 97 | 74.7 Ų | 74.7 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.9 | -45.2 | 175.3 | -70.7 | -16.9 | 0 | 0 | 0 | 111.5 | A15 A16 N17 V21 R22 E23 | A15-N19 PolarHBondContact O-N 3.14Å; A15-N19 VanDerWaalsContact O-N 3.07Å; A16-N19 PolarHBondContact O-N 3.49Å; N17-N19 VanDerWaalsContact C-N 3.31Å; N17-N19 PolarHBondContact O-N 3.12Å; N19-V21 PolarHBondContact O-N 3.4Å; N19-R22 WeakPolarHBondContact O-CB 3.5Å; N19-R22 PolarHBondContact O-N 2.99Å; N19-E23 WeakPolarHBondContact O-CG 3.46Å; N19-E23 PolarHBondContact O-N 3.15Å |
| 20 | A | 95.7 | Very high | 92.8 | Very high | 44 Ų | 44 | 78.1 Ų | 78.1 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -61.9 | -40.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | A16 N17 R22 E23 T24 | A16-A20 PolarHBondContact O-N 3.29Å; N17-A20 PolarHBondContact O-N 3.01Å; A20-R22 VanDerWaalsContact C-N 3.35Å; A20-E23 PolarHBondContact O-N 3.45Å; A20-T24 WeakPolarHBondContact O-CB 3.35Å; A20-T24 PolarHBondContact O-N 3.44Å; A20-T24 PolarHBondContact O-OG1 3.48Å |
| 21 | V | 95.3 | Very high | 93.9 | Very high | 78 Ų | 78 | 78.6 Ų | 78.6 | 47% | 0.473 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -44.4 | 174.7 | 170.7 | 0 | 0 | 0 | 0 | 110.7 | N17 L18 N19 T24 M25 | N17-V21 WeakPolarHBondContact O-CG2 3.43Å; N17-V21 PolarHBondContact O-N 2.95Å; L18-V21 PolarHBondContact O-N 3.29Å; N19-V21 PolarHBondContact O-N 3.4Å; V21-T24 PolarHBondContact O-N 3.04Å; V21-M25 WeakPolarHBondContact O-CG 3.38Å; V21-M25 PolarHBondContact O-N 3.23Å |
| 22 | R | 95.4 | Very high | 94.7 | Very high | 172 Ų | 172 | 75.7 Ų | 75.7 | 65% | 0.649 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -61.8 | -49.1 | 178.3 | -178 | 179.3 | 175.8 | 174.2 | 1.2 | 111.7 | L18 N19 A20 T24 M25 D26 | L18-R22 WeakPolarHBondContact O-CB 3.43Å; L18-R22 PolarHBondContact O-N 3.36Å; N19-R22 WeakPolarHBondContact O-CB 3.5Å; N19-R22 PolarHBondContact O-N 2.99Å; A20-R22 VanDerWaalsContact C-N 3.35Å; R22-T24 VanDerWaalsContact C-N 3.29Å; R22-T24 PolarHBondContact O-N 3.45Å; R22-M25 PolarHBondContact O-N 3.3Å; R22-D26 IonicContact NE-OD2 2.96Å; R22-D26 VanDerWaalsContact O-CG 3.32Å; R22-D26 PolarHBondContact O-N 3.46Å |
| 23 | E | 97 | Very high | 95.2 | Very high | 131 Ų | 131 | 80.9 Ų | 80.9 | 61% | 0.612 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -59.2 | -42.2 | 177.7 | -73.8 | 174.5 | -175.6 | 0 | 0 | 111.5 | N19 A20 M25 D26 V27 | N19-E23 WeakPolarHBondContact O-CG 3.46Å; N19-E23 PolarHBondContact O-N 3.15Å; A20-E23 PolarHBondContact O-N 3.45Å; E23-M25 PolarHBondContact O-N 2.95Å; E23-D26 PolarHBondContact O-N 3.35Å; E23-V27 WeakPolarHBondContact O-CG2 3.47Å; E23-V27 PolarHBondContact O-N 2.9Å |
| 24 | T | 96.9 | Very high | 95.8 | Very high | 82 Ų | 82 | 84.2 Ų | 84.2 | 50% | 0.503 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 176.7 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | A20 V21 R22 V27 L28 | A20-T24 WeakPolarHBondContact O-CB 3.35Å; A20-T24 PolarHBondContact O-N 3.44Å; A20-T24 PolarHBondContact O-OG1 3.48Å; V21-T24 PolarHBondContact O-N 3.04Å; R22-T24 VanDerWaalsContact C-N 3.29Å; R22-T24 PolarHBondContact O-N 3.45Å; T24-V27 PolarHBondContact O-N 3.05Å; T24-L28 HydrophobicContact CG2-CD1 4.25Å; T24-L28 WeakPolarHBondContact O-CG 3.39Å; T24-L28 PolarHBondContact O-N 3.5Å |
| 25 | M | 97.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 87.4 Ų | 87.4 | 16% | 0.158 | 46% | 0.459 | C | S | . | . | H | α-helix | trans | -66.5 | -37.7 | 178.1 | -75 | -57.8 | -56.9 | 0 | 0 | 112.7 | V21 R22 E23 L28 L29 L44 V48 | V21-M25 WeakPolarHBondContact O-CG 3.38Å; V21-M25 PolarHBondContact O-N 3.23Å; R22-M25 PolarHBondContact O-N 3.3Å; E23-M25 PolarHBondContact O-N 2.95Å; M25-L28 PolarHBondContact O-N 3.49Å; M25-L28 HydrophobicContact SD-CD1 4.21Å; M25-L29 PolarHBondContact O-N 3.26Å; M25-L44 HydrophobicContact CE-CB 4.47Å; M25-L44 HydrophobicContact CE-CD2 4.26Å; M25-L44 HydrophobicContact CE-CG 4.11Å; M25-V48 HydrophobicContact SD-CG2 4.18Å |
| 26 | D | 97.4 | Very high | 96.3 | Very high | 71 Ų | 71 | 91.9 Ų | 91.9 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -44.2 | 176.3 | -72 | -23.3 | 0 | 0 | 0 | 110.9 | R22 E23 L29 E30 M41 | R22-D26 IonicContact NE-OD2 2.96Å; R22-D26 VanDerWaalsContact O-CG 3.32Å; R22-D26 PolarHBondContact O-N 3.46Å; E23-D26 PolarHBondContact O-N 3.35Å; D26-L29 PolarHBondContact O-N 3.48Å; D26-E30 PolarHBondContact O-N 3.49Å; D26-M41 WeakPolarHBondContact OD1-CE 3.46Å |
| 27 | V | 98 | Very high | 96.4 | Very high | 85 Ų | 85 | 91.5 Ų | 91.5 | 52% | 0.515 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.7 | 171.9 | 0 | 0 | 0 | 0 | 111.5 | E23 T24 L29 E30 I31 | E23-V27 WeakPolarHBondContact O-CG2 3.47Å; E23-V27 PolarHBondContact O-N 2.9Å; T24-V27 PolarHBondContact O-N 3.05Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.48Å; V27-E30 PolarHBondContact O-N 3.03Å; V27-I31 HydrophobicContact CG1-CD1 4.01Å; V27-I31 WeakPolarHBondContact O-CG1 3.48Å; V27-I31 PolarHBondContact O-N 3.04Å |
| 28 | L | 97.6 | Very high | 96.3 | Very high | 59 Ų | 59 | 89.1 Ų | 89.1 | 31% | 0.309 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.9 | -37.8 | 177.8 | -72.5 | 173.7 | 0 | 0 | 0 | 112.1 | T24 M25 I31 S32 L44 V48 | T24-L28 HydrophobicContact CG2-CD1 4.25Å; T24-L28 WeakPolarHBondContact O-CG 3.39Å; T24-L28 PolarHBondContact O-N 3.5Å; M25-L28 PolarHBondContact O-N 3.49Å; M25-L28 HydrophobicContact SD-CD1 4.21Å; L28-I31 PolarHBondContact O-N 3Å; L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 3.23Å; L28-L44 HydrophobicContact CB-CD2 4Å; L28-V48 HydrophobicContact CD1-CG2 3.83Å |
| 29 | L | 97.8 | Very high | 96.4 | Very high | 12 Ų | 12 | 85 Ų | 85 | 6% | 0.063 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 175.3 | -175.2 | 73.6 | 0 | 0 | 0 | 111.4 | M25 D26 V27 S32 R33 M41 L44 | M25-L29 PolarHBondContact O-N 3.26Å; D26-L29 PolarHBondContact O-N 3.48Å; V27-L29 VanDerWaalsContact C-N 3.31Å; V27-L29 PolarHBondContact O-N 3.48Å; L29-S32 WeakPolarHBondContact O-CB 3.43Å; L29-S32 PolarHBondContact O-N 2.69Å; L29-R33 WeakPolarHBondContact O-CG 3.32Å; L29-R33 PolarHBondContact O-N 3.32Å; L29-M41 HydrophobicContact CB-CE 3.71Å; L29-M41 HydrophobicContact CB-SD 3.76Å; L29-M41 HydrophobicContact CD1-CG 4.23Å; L29-M41 HydrophobicContact CD1-SD 3.99Å; L29-M41 HydrophobicContact CD2-CE 3.43Å; L29-M41 VanDerWaalsContact CD2-CE 3.43Å; L29-M41 HydrophobicContact CD2-CG 3.75Å; L29-M41 HydrophobicContact CD2-SD 3.67Å; L29-M41 HydrophobicContact CG-CE 4.1Å; L29-M41 HydrophobicContact CG-CG 4.47Å; L29-M41 HydrophobicContact CG-SD 3.98Å; L29-L44 HydrophobicContact CB-CD2 4.03Å; L29-L44 HydrophobicContact CD1-CD2 4.14Å |
| 30 | E | 97.9 | Very high | 96.4 | Very high | 124 Ų | 124 | 84.4 Ų | 84.4 | 58% | 0.579 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 177.4 | -172 | 152.7 | -161.8 | 0 | 0 | 111.6 | D26 V27 S32 R33 I34 | D26-E30 PolarHBondContact O-N 3.49Å; V27-E30 PolarHBondContact O-N 3.03Å; E30-S32 VanDerWaalsContact C-N 3.33Å; E30-S32 PolarHBondContact O-N 3.22Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.09Å; E30-I34 HydrophobicContact CG-CD1 4.24Å; E30-I34 WeakPolarHBondContact O-CG1 3.42Å; E30-I34 PolarHBondContact O-N 2.95Å |
| 31 | I | 97.8 | Very high | 96.3 | Very high | 80 Ų | 80 | 85.7 Ų | 85.7 | 41% | 0.41 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -58.3 | -46.3 | 171.6 | -66.1 | 165.7 | 0 | 0 | 0 | 110.8 | V27 L28 R33 I34 L35 | V27-I31 HydrophobicContact CG1-CD1 4.01Å; V27-I31 WeakPolarHBondContact O-CG1 3.48Å; V27-I31 PolarHBondContact O-N 3.04Å; L28-I31 PolarHBondContact O-N 3Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.1Å; I31-I34 PolarHBondContact O-N 3.47Å; I31-L35 HydrophobicContact CG2-CD1 3.9Å; I31-L35 HydrophobicContact CG2-CG 4.41Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 WeakPolarHBondContact O-CG 3.31Å; I31-L35 PolarHBondContact O-N 3.03Å |
| 32 | S | 96.4 | Very high | 96.3 | Very high | 7 Ų | 7 | 88.8 Ų | 88.8 | 5% | 0.049 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -57.6 | -39.4 | 177.7 | 172.3 | 0 | 0 | 0 | 0 | 112.6 | L28 L29 E30 N36 T37 | L28-S32 WeakPolarHBondContact O-CB 3.48Å; L28-S32 PolarHBondContact O-N 3.23Å; L29-S32 WeakPolarHBondContact O-CB 3.43Å; L29-S32 PolarHBondContact O-N 2.69Å; E30-S32 VanDerWaalsContact C-N 3.33Å; E30-S32 PolarHBondContact O-N 3.22Å; S32-N36 PolarHBondContact O-N 3.19Å; S32-T37 PolarHBondContact O-N 3.05Å; S32-T37 PolarHBondContact OG-OG1 3.31Å |
| 33 | R | 96.7 | Very high | 96.2 | Very high | 173 Ų | 173 | 82.9 Ų | 82.9 | 65% | 0.653 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -68.9 | -44.7 | 176.3 | -72.8 | 171.3 | 175.1 | 172.2 | -2 | 111.9 | L29 E30 I31 L35 N36 | L29-R33 WeakPolarHBondContact O-CG 3.32Å; L29-R33 PolarHBondContact O-N 3.32Å; E30-R33 WeakPolarHBondContact O-CB 3.45Å; E30-R33 PolarHBondContact O-N 3.09Å; I31-R33 VanDerWaalsContact C-N 3.28Å; I31-R33 PolarHBondContact O-N 3.1Å; R33-L35 VanDerWaalsContact C-N 3.29Å; R33-L35 PolarHBondContact O-N 3.24Å; R33-N36 WeakPolarHBondContact O-CA 3.35Å; R33-N36 PolarHBondContact O-N 3.4Å |
| 34 | I | 98.1 | Very high | 96.2 | Very high | 131 Ų | 131 | 77.5 Ų | 77.5 | 67% | 0.672 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -60.4 | -41.9 | 177.1 | -68.1 | 166.1 | 0 | 0 | 0 | 110.8 | E30 I31 N36 | E30-I34 HydrophobicContact CG-CD1 4.24Å; E30-I34 WeakPolarHBondContact O-CG1 3.42Å; E30-I34 PolarHBondContact O-N 2.95Å; I31-I34 PolarHBondContact O-N 3.47Å; I34-N36 PolarHBondContact O-N 3.02Å |
| 35 | L | 96.6 | Very high | 96.2 | Very high | 122 Ų | 122 | 76.6 Ų | 76.6 | 64% | 0.639 | 41% | 0.408 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.6 | -0.9 | 177 | -64.1 | 178.9 | 0 | 0 | 0 | 113.6 | I31 R33 T37 | I31-L35 HydrophobicContact CG2-CD1 3.9Å; I31-L35 HydrophobicContact CG2-CG 4.41Å; I31-L35 WeakPolarHBondContact O-CB 3.45Å; I31-L35 WeakPolarHBondContact O-CG 3.31Å; I31-L35 PolarHBondContact O-N 3.03Å; R33-L35 VanDerWaalsContact C-N 3.29Å; R33-L35 PolarHBondContact O-N 3.24Å; L35-T37 HydrophobicContact CB-CG2 3.9Å; L35-T37 PolarHBondContact O-N 2.95Å |
| 36 | N | 94.9 | Very high | 96.1 | Very high | 143 Ų | 143 | 79.4 Ų | 79.4 | 77% | 0.765 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50 | 41.8 | 178.7 | -152.3 | 65.3 | 0 | 0 | 0 | 113.3 | S32 R33 I34 G38 | S32-N36 PolarHBondContact O-N 3.19Å; R33-N36 WeakPolarHBondContact O-CA 3.35Å; R33-N36 PolarHBondContact O-N 3.4Å; I34-N36 PolarHBondContact O-N 3.02Å; N36-G38 PolarHBondContact O-N 3.41Å |
| 37 | T | 94.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 76.8 Ų | 76.8 | 33% | 0.325 | 41% | 0.409 | S | S | . | . | trans | -70.9 | -18.4 | -178.4 | 76 | 0 | 0 | 0 | 0 | 112.5 | S32 L35 L39 R68 | S32-T37 PolarHBondContact O-N 3.05Å; S32-T37 PolarHBondContact OG-OG1 3.31Å; L35-T37 HydrophobicContact CB-CG2 3.9Å; L35-T37 PolarHBondContact O-N 2.95Å; T37-L39 VanDerWaalsContact C-N 3.26Å; T37-L39 PolarHBondContact O-N 3.22Å; T37-L39 WeakPolarHBondContact OG1-CG 3.34Å; T37-L39 PolarHBondContact OG1-N 2.8Å; T37-R68 PolarHBondContact O-NH1 2.99Å | ||
| 38 | G | 93.2 | Very high | 96 | Very high | 55 Ų | 55 | 74.5 Ų | 74.5 | 57% | 0.567 | 40% | 0.396 | S | S | * | . | trans | 68.3 | 21.4 | -177 | 0 | 0 | 0 | 0 | 0 | 113.5 | N36 R68 | N36-G38 PolarHBondContact O-N 3.41Å; G38-R68 PolarHBondContact O-NH2 2.91Å | ||
| 39 | L | 94.7 | Very high | 95.9 | Very high | 33 Ų | 33 | 79.2 Ų | 79.2 | 17% | 0.173 | 41% | 0.409 | C | S | . | . | trans | -84.9 | 132 | 172.1 | -60.9 | 170.4 | 0 | 0 | 0 | 109.9 | T37 T43 L44 I64 | T37-L39 VanDerWaalsContact C-N 3.26Å; T37-L39 PolarHBondContact O-N 3.22Å; T37-L39 WeakPolarHBondContact OG1-CG 3.34Å; T37-L39 PolarHBondContact OG1-N 2.8Å; L39-T43 HydrophobicContact CD2-CG2 3.6Å; L39-L44 HydrophobicContact CD1-CD1 4.28Å; L39-I64 HydrophobicContact CD2-CG2 4.45Å | ||
| 40 | D | 94.4 | Very high | 95.9 | Very high | 85 Ų | 85 | 80.9 Ų | 80.9 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | trans | -85.9 | 172.8 | 170.1 | 64.9 | -12.7 | 0 | 0 | 0 | 111.2 | E42 T43 L44 | D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.94Å; D40-T43 PolarHBondContact O-N 2.93Å; D40-T43 WeakPolarHBondContact OD1-CB 3.4Å; D40-T43 PolarHBondContact OD1-N 3.41Å; D40-T43 PolarHBondContact OD1-OG1 3.22Å; D40-L44 VanDerWaalsContact O-CB 3.23Å; D40-L44 WeakPolarHBondContact O-CB 3.28Å; D40-L44 PolarHBondContact O-N 3.29Å | ||
| 41 | M | 93.6 | Very high | 95.8 | Very high | 72 Ų | 72 | 77.6 Ų | 77.6 | 36% | 0.355 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -57 | -41 | -177 | -87.5 | -58.1 | -157.8 | 0 | 0 | 113 | D26 L29 S45 | D26-M41 WeakPolarHBondContact OD1-CE 3.46Å; L29-M41 HydrophobicContact CB-CE 3.71Å; L29-M41 HydrophobicContact CB-SD 3.76Å; L29-M41 HydrophobicContact CD1-CG 4.23Å; L29-M41 HydrophobicContact CD1-SD 3.99Å; L29-M41 HydrophobicContact CD2-CE 3.43Å; L29-M41 VanDerWaalsContact CD2-CE 3.43Å; L29-M41 HydrophobicContact CD2-CG 3.75Å; L29-M41 HydrophobicContact CD2-SD 3.67Å; L29-M41 HydrophobicContact CG-CE 4.1Å; L29-M41 HydrophobicContact CG-CG 4.47Å; L29-M41 HydrophobicContact CG-SD 3.98Å; M41-S45 WeakPolarHBondContact O-CB 3.38Å; M41-S45 PolarHBondContact O-N 3.16Å |
| 42 | E | 95.3 | Very high | 95.7 | Very high | 142 Ų | 142 | 79.9 Ų | 79.9 | 66% | 0.664 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -67.1 | -51.1 | -178.1 | -172.6 | 171.9 | -172.8 | 0 | 0 | 111 | D40 L44 S45 I46 | D40-E42 VanDerWaalsContact C-N 3.27Å; D40-E42 PolarHBondContact O-N 2.94Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.27Å; E42-S45 WeakPolarHBondContact O-CB 3.3Å; E42-S45 PolarHBondContact O-N 3.46Å; E42-I46 HydrophobicContact CG-CD1 4.48Å; E42-I46 WeakPolarHBondContact O-CG1 3.41Å; E42-I46 PolarHBondContact O-N 3.37Å; E42-I46 VanDerWaalsContact O-N 3.15Å |
| 43 | T | 94.5 | Very high | 95.8 | Very high | 48 Ų | 48 | 86.1 Ų | 86.1 | 29% | 0.294 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 178.7 | -51 | 0 | 0 | 0 | 0 | 111.5 | L39 D40 S45 I46 C47 | L39-T43 HydrophobicContact CD2-CG2 3.6Å; D40-T43 PolarHBondContact O-N 2.93Å; D40-T43 WeakPolarHBondContact OD1-CB 3.4Å; D40-T43 PolarHBondContact OD1-N 3.41Å; D40-T43 PolarHBondContact OD1-OG1 3.22Å; T43-S45 PolarHBondContact O-N 2.97Å; T43-I46 PolarHBondContact O-N 3.2Å; T43-C47 PolarHBondContact O-N 3.41Å; T43-C47 PolarHBondContact O-SG 3.44Å |
| 44 | L | 96.4 | Very high | 95.8 | Very high | 18 Ų | 18 | 81.2 Ų | 81.2 | 9% | 0.094 | 45% | 0.448 | C | S | . | . | H | α-helix | trans | -62.2 | -43.2 | 178.4 | -175.8 | 64 | 0 | 0 | 0 | 111.7 | M25 L28 L29 L39 D40 E42 I46 C47 V48 | M25-L44 HydrophobicContact CE-CB 4.47Å; M25-L44 HydrophobicContact CE-CD2 4.26Å; M25-L44 HydrophobicContact CE-CG 4.11Å; L28-L44 HydrophobicContact CB-CD2 4Å; L29-L44 HydrophobicContact CB-CD2 4.03Å; L29-L44 HydrophobicContact CD1-CD2 4.14Å; L39-L44 HydrophobicContact CD1-CD1 4.28Å; D40-L44 VanDerWaalsContact O-CB 3.23Å; D40-L44 WeakPolarHBondContact O-CB 3.28Å; D40-L44 PolarHBondContact O-N 3.29Å; E42-L44 VanDerWaalsContact C-N 3.32Å; E42-L44 PolarHBondContact O-N 3.27Å; L44-I46 VanDerWaalsContact C-N 3.32Å; L44-I46 PolarHBondContact O-N 3.03Å; L44-C47 WeakPolarHBondContact O-CB 3.49Å; L44-C47 PolarHBondContact O-N 3.15Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.28Å |
| 45 | S | 96.6 | Very high | 95.7 | Very high | 63 Ų | 63 | 78.1 Ų | 78.1 | 44% | 0.441 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -59.2 | -42.5 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 112 | M41 E42 T43 V48 R49 | M41-S45 WeakPolarHBondContact O-CB 3.38Å; M41-S45 PolarHBondContact O-N 3.16Å; E42-S45 WeakPolarHBondContact O-CB 3.3Å; E42-S45 PolarHBondContact O-N 3.46Å; T43-S45 PolarHBondContact O-N 2.97Å; S45-V48 PolarHBondContact O-N 3.32Å; S45-R49 PolarHBondContact O-N 2.57Å |
| 46 | I | 96.3 | Very high | 95.7 | Very high | 91 Ų | 91 | 76.3 Ų | 76.3 | 47% | 0.467 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -62.2 | -47 | 175.4 | -64.1 | 165.7 | 0 | 0 | 0 | 110.4 | E42 T43 L44 V48 R49 L50 | E42-I46 HydrophobicContact CG-CD1 4.48Å; E42-I46 WeakPolarHBondContact O-CG1 3.41Å; E42-I46 PolarHBondContact O-N 3.37Å; E42-I46 VanDerWaalsContact O-N 3.15Å; T43-I46 PolarHBondContact O-N 3.2Å; L44-I46 VanDerWaalsContact C-N 3.32Å; L44-I46 PolarHBondContact O-N 3.03Å; I46-V48 VanDerWaalsContact C-N 3.34Å; I46-V48 PolarHBondContact O-N 3.48Å; I46-R49 PolarHBondContact O-N 2.86Å; I46-L50 HydrophobicContact CG2-CD1 3.93Å; I46-L50 HydrophobicContact CG2-CG 4.34Å; I46-L50 VanDerWaalsContact O-CG 3.32Å; I46-L50 WeakPolarHBondContact O-CG 3.41Å; I46-L50 PolarHBondContact O-N 3.28Å |
| 47 | C | 96.5 | Very high | 95.7 | Very high | 16 Ų | 16 | 73.4 Ų | 73.4 | 11% | 0.108 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -59.1 | -43.9 | 178.2 | -68.5 | 0 | 0 | 0 | 0 | 112.3 | T43 L44 R49 L50 C51 L60 I64 | T43-C47 PolarHBondContact O-N 3.41Å; T43-C47 PolarHBondContact O-SG 3.44Å; L44-C47 WeakPolarHBondContact O-CB 3.49Å; L44-C47 PolarHBondContact O-N 3.15Å; C47-R49 VanDerWaalsContact C-N 3.34Å; C47-R49 PolarHBondContact O-N 3.19Å; C47-L50 PolarHBondContact O-N 2.94Å; C47-C51 WeakPolarHBondContact O-CB 3.49Å; C47-C51 PolarHBondContact O-N 2.97Å; C47-C51 PolarHBondContact O-SG 2.76Å; C47-L60 HydrophobicContact CB-CD2 4.08Å; C47-I64 VanDerWaalsContact SG-CD1 3.52Å |
| 48 | V | 96.1 | Very high | 95.8 | Very high | 38 Ų | 38 | 77.6 Ų | 77.6 | 23% | 0.23 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -59.3 | -47.2 | 176.3 | 171.5 | 0 | 0 | 0 | 0 | 110.3 | M25 L28 L44 S45 I46 L50 C51 E52 | M25-V48 HydrophobicContact SD-CG2 4.18Å; L28-V48 HydrophobicContact CD1-CG2 3.83Å; L44-V48 WeakPolarHBondContact O-CG2 3.47Å; L44-V48 PolarHBondContact O-N 3.28Å; S45-V48 PolarHBondContact O-N 3.32Å; I46-V48 VanDerWaalsContact C-N 3.34Å; I46-V48 PolarHBondContact O-N 3.48Å; V48-L50 VanDerWaalsContact C-N 3.32Å; V48-L50 PolarHBondContact O-N 3.25Å; V48-C51 PolarHBondContact O-N 3.21Å; V48-E52 HydrophobicContact CG1-CG 4.41Å; V48-E52 WeakPolarHBondContact O-CG 3.37Å; V48-E52 PolarHBondContact O-N 2.89Å |
| 49 | R | 96.8 | Very high | 95.9 | Very high | 157 Ų | 157 | 77.4 Ų | 77.4 | 59% | 0.592 | 42% | 0.421 | S | S | * | . | H | α-helix | trans | -62.2 | -38.2 | 179.4 | -168.3 | 58.5 | 132.1 | -161.8 | -5.9 | 113.2 | S45 I46 C47 E52 Q53 | S45-R49 PolarHBondContact O-N 2.57Å; I46-R49 PolarHBondContact O-N 2.86Å; C47-R49 VanDerWaalsContact C-N 3.34Å; C47-R49 PolarHBondContact O-N 3.19Å; R49-E52 VanDerWaalsContact CD-OE2 3.3Å; R49-E52 WeakPolarHBondContact CD-OE2 3.05Å; R49-E52 IonicContact CZ-OE2 3.93Å; R49-E52 IonicContact NH1-OE2 3.97Å; R49-E52 PolarHBondContact NH1-OE2 3.41Å; R49-E52 PolarHBondContact O-N 2.95Å; R49-Q53 WeakPolarHBondContact O-CG 3.36Å; R49-Q53 PolarHBondContact O-N 2.96Å |
| 50 | L | 96.8 | Very high | 95.9 | Very high | 47 Ų | 47 | 77 Ų | 77 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -67.9 | -42.1 | 176.1 | -68.9 | 173.8 | 0 | 0 | 0 | 111.1 | I46 C47 V48 Q53 I55 L60 | I46-L50 HydrophobicContact CG2-CD1 3.93Å; I46-L50 HydrophobicContact CG2-CG 4.34Å; I46-L50 VanDerWaalsContact O-CG 3.32Å; I46-L50 WeakPolarHBondContact O-CG 3.41Å; I46-L50 PolarHBondContact O-N 3.28Å; C47-L50 PolarHBondContact O-N 2.94Å; V48-L50 VanDerWaalsContact C-N 3.32Å; V48-L50 PolarHBondContact O-N 3.25Å; L50-Q53 WeakPolarHBondContact O-CB 3.37Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Q53 VanDerWaalsContact O-N 3.16Å; L50-I55 HydrophobicContact CB-CB 4.47Å; L50-I55 HydrophobicContact CB-CD1 3.72Å; L50-I55 HydrophobicContact CD2-CD1 3.5Å; L50-I55 HydrophobicContact CG-CD1 4.13Å; L50-I55 VanDerWaalsContact O-CB 3.31Å; L50-I55 WeakPolarHBondContact O-CB 3.23Å; L50-I55 PolarHBondContact O-N 3.48Å; L50-L60 HydrophobicContact CB-CD2 4.15Å; L50-L60 HydrophobicContact CD1-CD1 3.74Å; L50-L60 HydrophobicContact CD1-CD2 4.26Å |
| 51 | C | 96.2 | Very high | 95.9 | Very high | 55 Ų | 55 | 75 Ų | 75 | 37% | 0.372 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -63.2 | -39.7 | 174.1 | -69.9 | 0 | 0 | 0 | 0 | 112.1 | C47 V48 Q53 G54 | C47-C51 WeakPolarHBondContact O-CB 3.49Å; C47-C51 PolarHBondContact O-N 2.97Å; C47-C51 PolarHBondContact O-SG 2.76Å; V48-C51 PolarHBondContact O-N 3.21Å; C51-Q53 PolarHBondContact O-N 3.29Å; C51-G54 PolarHBondContact O-N 3.02Å |
| 52 | E | 96.1 | Very high | 96.1 | Very high | 128 Ų | 128 | 74.5 Ų | 74.5 | 60% | 0.598 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -60.1 | -29.5 | 173.6 | -73.9 | 176.4 | 168.9 | 0 | 0 | 112.7 | V48 R49 G54 | V48-E52 HydrophobicContact CG1-CG 4.41Å; V48-E52 WeakPolarHBondContact O-CG 3.37Å; V48-E52 PolarHBondContact O-N 2.89Å; R49-E52 VanDerWaalsContact CD-OE2 3.3Å; R49-E52 WeakPolarHBondContact CD-OE2 3.05Å; R49-E52 IonicContact CZ-OE2 3.93Å; R49-E52 IonicContact NH1-OE2 3.97Å; R49-E52 PolarHBondContact NH1-OE2 3.41Å; R49-E52 PolarHBondContact O-N 2.95Å; E52-G54 PolarHBondContact O-N 3.3Å |
| 53 | Q | 97.4 | Very high | 96.1 | Very high | 139 Ų | 139 | 71.3 Ų | 71.3 | 65% | 0.65 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.4 | 0.7 | 174.5 | -69.4 | 176.3 | -13.4 | 0 | 0 | 113.5 | R49 L50 C51 | R49-Q53 WeakPolarHBondContact O-CG 3.36Å; R49-Q53 PolarHBondContact O-N 2.96Å; L50-Q53 WeakPolarHBondContact O-CB 3.37Å; L50-Q53 PolarHBondContact O-N 3.38Å; L50-Q53 VanDerWaalsContact O-N 3.16Å; C51-Q53 PolarHBondContact O-N 3.29Å |
| 54 | G | 96.3 | Very high | 96.1 | Very high | 69 Ų | 69 | 70.7 Ų | 70.7 | 71% | 0.711 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 86.9 | 15.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | C51 E52 | C51-G54 PolarHBondContact O-N 3.02Å; E52-G54 PolarHBondContact O-N 3.3Å |
| 55 | I | 97.3 | Very high | 96 | Very high | 67 Ų | 67 | 76.6 Ų | 76.6 | 34% | 0.344 | 43% | 0.425 | S | S | . | . | trans | -69.3 | 136.2 | 173.6 | -66.3 | 168.2 | 0 | 0 | 0 | 109.5 | L50 P57 L60 | L50-I55 HydrophobicContact CB-CB 4.47Å; L50-I55 HydrophobicContact CB-CD1 3.72Å; L50-I55 HydrophobicContact CD2-CD1 3.5Å; L50-I55 HydrophobicContact CG-CD1 4.13Å; L50-I55 VanDerWaalsContact O-CB 3.31Å; L50-I55 WeakPolarHBondContact O-CB 3.23Å; L50-I55 PolarHBondContact O-N 3.48Å; I55-P57 WeakPolarHBondContact O-CD 3.38Å; I55-L60 HydrophobicContact CG2-CB 4.29Å | ||
| 56 | N | 96.3 | Very high | 96 | Very high | 83 Ų | 83 | 80.2 Ų | 80.2 | 44% | 0.444 | 44% | 0.435 | S | S | . | . | trans | -63.8 | 120.5 | 177.1 | 179.9 | -6.5 | 0 | 0 | 0 | 110.4 | E58 A59 L60 | N56-E58 PolarHBondContact O-N 3.39Å; N56-E58 WeakPolarHBondContact OD1-CB 3.34Å; N56-E58 PolarHBondContact OD1-N 3.4Å; N56-A59 HydrophobicContact CB-CB 4.12Å; N56-A59 PolarHBondContact O-N 3.43Å; N56-L60 PolarHBondContact O-N 2.72Å | ||
| 57 | P | 94.9 | Very high | 96 | Very high | 83 Ų | 83 | 81.2 Ų | 81.2 | 54% | 0.539 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -61 | -31.8 | -179.6 | 24.7 | -35.1 | 0 | 0 | 0 | 113 | I55 S61 | I55-P57 WeakPolarHBondContact O-CD 3.38Å; P57-S61 WeakPolarHBondContact O-CB 3.44Å; P57-S61 PolarHBondContact O-N 3.01Å |
| 58 | E | 95.8 | Very high | 95.9 | Very high | 141 Ų | 141 | 85.2 Ų | 85.2 | 66% | 0.659 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -66.7 | -46.7 | 178 | -64.1 | -177.3 | 172 | 0 | 0 | 111.1 | N56 S61 S62 | N56-E58 PolarHBondContact O-N 3.39Å; N56-E58 WeakPolarHBondContact OD1-CB 3.34Å; N56-E58 PolarHBondContact OD1-N 3.4Å; E58-S61 WeakPolarHBondContact O-CB 3.5Å; E58-S61 PolarHBondContact O-N 3.3Å; E58-S61 PolarHBondContact O-OG 2.91Å; E58-S62 PolarHBondContact O-N 2.93Å; E58-S62 VanDerWaalsContact O-N 3.09Å; E58-S62 PolarHBondContact O-OG 3.21Å |
| 59 | A | 95.9 | Very high | 95.9 | Very high | 50 Ų | 50 | 91.3 Ų | 91.3 | 41% | 0.413 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.8 | -43.6 | 177 | 0 | 0 | 0 | 0 | 0 | 111.4 | N56 S61 S62 V63 | N56-A59 HydrophobicContact CB-CB 4.12Å; N56-A59 PolarHBondContact O-N 3.43Å; A59-S61 VanDerWaalsContact C-N 3.29Å; A59-S61 PolarHBondContact O-N 3.3Å; A59-S62 WeakPolarHBondContact O-CB 3.36Å; A59-S62 PolarHBondContact O-N 3.19Å; A59-V63 WeakPolarHBondContact O-CG2 3.39Å; A59-V63 PolarHBondContact O-N 3.02Å; A59-V63 VanDerWaalsContact O-N 3.1Å |
| 60 | L | 95.4 | Very high | 95.9 | Very high | 25 Ų | 25 | 86.3 Ų | 86.3 | 13% | 0.131 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175.1 | -178.7 | 60.8 | 0 | 0 | 0 | 111.4 | C47 L50 I55 N56 S62 V63 I64 | C47-L60 HydrophobicContact CB-CD2 4.08Å; L50-L60 HydrophobicContact CB-CD2 4.15Å; L50-L60 HydrophobicContact CD1-CD1 3.74Å; L50-L60 HydrophobicContact CD1-CD2 4.26Å; I55-L60 HydrophobicContact CG2-CB 4.29Å; N56-L60 PolarHBondContact O-N 2.72Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.23Å; L60-V63 PolarHBondContact O-N 2.94Å; L60-I64 HydrophobicContact CD1-CD1 4.28Å; L60-I64 HydrophobicContact CG-CD1 4.02Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 3.47Å |
| 61 | S | 94.4 | Very high | 95.8 | Very high | 44 Ų | 44 | 87.2 Ų | 87.2 | 31% | 0.308 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -61.9 | -38.9 | 177.6 | 85.3 | 0 | 0 | 0 | 0 | 112.5 | P57 E58 A59 I64 K65 | P57-S61 WeakPolarHBondContact O-CB 3.44Å; P57-S61 PolarHBondContact O-N 3.01Å; E58-S61 WeakPolarHBondContact O-CB 3.5Å; E58-S61 PolarHBondContact O-N 3.3Å; E58-S61 PolarHBondContact O-OG 2.91Å; A59-S61 VanDerWaalsContact C-N 3.29Å; A59-S61 PolarHBondContact O-N 3.3Å; S61-I64 PolarHBondContact O-N 3.18Å; S61-K65 VanDerWaalsContact O-CG 3.28Å; S61-K65 WeakPolarHBondContact O-CG 3.48Å; S61-K65 PolarHBondContact O-N 2.99Å |
| 62 | S | 96.4 | Very high | 95.7 | Very high | 61 Ų | 61 | 89.9 Ų | 89.9 | 43% | 0.427 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.8 | -46.4 | 176.9 | -63.8 | 0 | 0 | 0 | 0 | 111.1 | E58 A59 L60 I64 K65 E66 | E58-S62 PolarHBondContact O-N 2.93Å; E58-S62 VanDerWaalsContact O-N 3.09Å; E58-S62 PolarHBondContact O-OG 3.21Å; A59-S62 WeakPolarHBondContact O-CB 3.36Å; A59-S62 PolarHBondContact O-N 3.19Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-S62 PolarHBondContact O-N 3.23Å; S62-I64 PolarHBondContact O-N 2.96Å; S62-K65 PolarHBondContact O-N 3.06Å; S62-E66 WeakPolarHBondContact O-CG 3.37Å; S62-E66 PolarHBondContact O-N 3.05Å |
| 63 | V | 96.3 | Very high | 95.7 | Very high | 75 Ų | 75 | 86.8 Ų | 86.8 | 46% | 0.455 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 176.9 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | A59 L60 K65 E66 L67 | A59-V63 WeakPolarHBondContact O-CG2 3.39Å; A59-V63 PolarHBondContact O-N 3.02Å; A59-V63 VanDerWaalsContact O-N 3.1Å; L60-V63 PolarHBondContact O-N 2.94Å; V63-K65 VanDerWaalsContact C-N 3.33Å; V63-K65 PolarHBondContact O-N 3.39Å; V63-E66 PolarHBondContact O-N 3.42Å; V63-L67 HydrophobicContact CG1-CD1 3.98Å; V63-L67 HydrophobicContact CG1-CG 4.33Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 3.36Å |
| 64 | I | 94.6 | Very high | 95.6 | Very high | 35 Ų | 35 | 85.6 Ų | 85.6 | 18% | 0.179 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -60.6 | -43.3 | 178.8 | -67.8 | 167.4 | 0 | 0 | 0 | 111.3 | L39 C47 L60 S61 S62 R68 | L39-I64 HydrophobicContact CD2-CG2 4.45Å; C47-I64 VanDerWaalsContact SG-CD1 3.52Å; L60-I64 HydrophobicContact CD1-CD1 4.28Å; L60-I64 HydrophobicContact CG-CD1 4.02Å; L60-I64 WeakPolarHBondContact O-CG1 3.32Å; L60-I64 PolarHBondContact O-N 3.47Å; S61-I64 PolarHBondContact O-N 3.18Å; S62-I64 PolarHBondContact O-N 2.96Å; I64-R68 WeakPolarHBondContact O-CG 3.4Å; I64-R68 PolarHBondContact O-N 3.02Å |
| 65 | K | 94.3 | Very high | 95.5 | Very high | 141 Ų | 141 | 87 Ų | 87 | 61% | 0.613 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 178.4 | -73.5 | 169.8 | -176.5 | 172.1 | 0 | 111.6 | S61 S62 V63 R68 K69 | S61-K65 VanDerWaalsContact O-CG 3.28Å; S61-K65 WeakPolarHBondContact O-CG 3.48Å; S61-K65 PolarHBondContact O-N 2.99Å; S62-K65 PolarHBondContact O-N 3.06Å; V63-K65 VanDerWaalsContact C-N 3.33Å; V63-K65 PolarHBondContact O-N 3.39Å; K65-R68 PolarHBondContact O-N 3.42Å; K65-K69 WeakPolarHBondContact O-CB 3.16Å; K65-K69 PolarHBondContact O-N 3.42Å |
| 66 | E | 96.9 | Very high | 95.3 | Very high | 140 Ų | 140 | 86.6 Ų | 86.6 | 65% | 0.654 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.5 | -46 | 178.4 | -74.9 | -179.7 | 178.5 | 0 | 0 | 112 | S62 V63 R68 K69 A70 | S62-E66 WeakPolarHBondContact O-CG 3.37Å; S62-E66 PolarHBondContact O-N 3.05Å; V63-E66 PolarHBondContact O-N 3.42Å; E66-R68 PolarHBondContact O-N 3.31Å; E66-K69 PolarHBondContact O-N 2.93Å; E66-A70 WeakPolarHBondContact O-CB 3.34Å; E66-A70 PolarHBondContact O-N 3.2Å |
| 67 | L | 95.8 | Very high | 95.1 | Very high | 111 Ų | 111 | 85.3 Ų | 85.3 | 58% | 0.581 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -61 | -44 | 177.5 | -70.4 | 177.3 | 0 | 0 | 0 | 111.9 | V63 K69 A70 T71 | V63-L67 HydrophobicContact CG1-CD1 3.98Å; V63-L67 HydrophobicContact CG1-CG 4.33Å; V63-L67 WeakPolarHBondContact O-CG 3.36Å; V63-L67 PolarHBondContact O-N 3.36Å; L67-K69 PolarHBondContact O-N 3.22Å; L67-A70 PolarHBondContact O-N 3.34Å; L67-T71 PolarHBondContact O-N 2.98Å; L67-T71 PolarHBondContact O-OG1 3.28Å; L67-T71 VanDerWaalsContact O-OG1 3.06Å |
| 68 | R | 94.5 | Very high | 94.9 | Very high | 101 Ų | 101 | 87.2 Ų | 87.2 | 38% | 0.381 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.7 | -46.5 | 175.2 | -75.1 | 177 | 173.5 | -164.7 | -6.3 | 111.4 | T37 G38 I64 K65 E66 A70 T71 E72 | T37-R68 PolarHBondContact O-NH1 2.99Å; G38-R68 PolarHBondContact O-NH2 2.91Å; I64-R68 WeakPolarHBondContact O-CG 3.4Å; I64-R68 PolarHBondContact O-N 3.02Å; K65-R68 PolarHBondContact O-N 3.42Å; E66-R68 PolarHBondContact O-N 3.31Å; R68-A70 PolarHBondContact O-N 2.95Å; R68-T71 PolarHBondContact O-N 3.43Å; R68-E72 WeakPolarHBondContact O-CG 3.49Å; R68-E72 PolarHBondContact O-N 3.47Å |
| 69 | K | 95.4 | Very high | 94.4 | Very high | 166 Ų | 166 | 86.3 Ų | 86.3 | 72% | 0.722 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61.3 | -43.1 | 178.7 | -172.5 | -177.9 | 179 | -175.3 | 0 | 112 | K65 E66 L67 E72 A73 | K65-K69 WeakPolarHBondContact O-CB 3.16Å; K65-K69 PolarHBondContact O-N 3.42Å; E66-K69 PolarHBondContact O-N 2.93Å; L67-K69 PolarHBondContact O-N 3.22Å; K69-E72 PolarHBondContact O-N 3.03Å; K69-A73 WeakPolarHBondContact O-CB 3.49Å; K69-A73 PolarHBondContact O-N 2.92Å |
| 70 | A | 96.1 | Very high | 93.6 | Very high | 51 Ų | 51 | 92 Ų | 92 | 42% | 0.421 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | E66 L67 R68 E72 A73 L74 | E66-A70 WeakPolarHBondContact O-CB 3.34Å; E66-A70 PolarHBondContact O-N 3.2Å; L67-A70 PolarHBondContact O-N 3.34Å; R68-A70 PolarHBondContact O-N 2.95Å; A70-E72 PolarHBondContact O-N 3.44Å; A70-A73 PolarHBondContact O-N 2.76Å; A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.38Å |
| 71 | T | 95 | Very high | 92.7 | Very high | 67 Ų | 67 | 96.7 Ų | 96.7 | 41% | 0.411 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | 177.3 | -61.8 | 0 | 0 | 0 | 0 | 112.3 | L67 R68 A73 L74 K75 | L67-T71 PolarHBondContact O-N 2.98Å; L67-T71 PolarHBondContact O-OG1 3.28Å; L67-T71 VanDerWaalsContact O-OG1 3.06Å; R68-T71 PolarHBondContact O-N 3.43Å; T71-A73 VanDerWaalsContact C-N 3.34Å; T71-A73 PolarHBondContact O-N 2.97Å; T71-L74 PolarHBondContact O-N 3.37Å; T71-K75 HydrophobicContact CG2-CD 4.5Å; T71-K75 WeakPolarHBondContact O-CG 3.35Å; T71-K75 PolarHBondContact O-N 3.49Å |
| 72 | E | 94.8 | Very high | 90.9 | Very high | 111 Ų | 111 | 102.1 Ų | 102.1 | 52% | 0.519 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -65.7 | -37.6 | 177.3 | -66.7 | -55.9 | 116.8 | 0 | 0 | 112.1 | R68 K69 A70 K75 A76 | R68-E72 WeakPolarHBondContact O-CG 3.49Å; R68-E72 PolarHBondContact O-N 3.47Å; K69-E72 PolarHBondContact O-N 3.03Å; A70-E72 PolarHBondContact O-N 3.44Å; E72-K75 PolarHBondContact O-N 3.19Å; E72-K75 IonicContact OE1-NZ 2.8Å; E72-K75 PolarHBondContact OE1-NZ 3.43Å; E72-A76 WeakPolarHBondContact O-CB 3.4Å; E72-A76 PolarHBondContact O-N 3.04Å |
| 73 | A | 95.2 | Very high | 90.6 | Very high | 62 Ų | 62 | 104.2 Ų | 104.2 | 51% | 0.512 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.2 | -39.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | K69 A70 T71 A76 A77 | K69-A73 WeakPolarHBondContact O-CB 3.49Å; K69-A73 PolarHBondContact O-N 2.92Å; A70-A73 PolarHBondContact O-N 2.76Å; T71-A73 VanDerWaalsContact C-N 3.34Å; T71-A73 PolarHBondContact O-N 2.97Å; A73-A76 PolarHBondContact O-N 3.49Å; A73-A77 WeakPolarHBondContact O-CB 3.49Å; A73-A77 PolarHBondContact O-N 3.05Å |
| 74 | L | 95.6 | Very high | 90.4 | Very high | 115 Ų | 115 | 105.7 Ų | 105.7 | 60% | 0.602 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -64.4 | -48.7 | 176.4 | -71.3 | 166.4 | 0 | 0 | 0 | 111.4 | A70 T71 A76 A77 E78 | A70-L74 WeakPolarHBondContact O-CG 3.47Å; A70-L74 PolarHBondContact O-N 3.38Å; T71-L74 PolarHBondContact O-N 3.37Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 3.01Å; L74-A77 WeakPolarHBondContact O-CB 3.48Å; L74-A77 PolarHBondContact O-N 3.33Å; L74-A77 VanDerWaalsContact O-N 3.14Å; L74-E78 WeakPolarHBondContact O-CG 3.46Å; L74-E78 PolarHBondContact O-N 3.06Å |
| 75 | K | 94.4 | Very high | 90.1 | Very high | 99 Ų | 99 | 109.6 Ų | 109.6 | 43% | 0.43 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.9 | -42 | 175.6 | -69.2 | 173.3 | -174.8 | 166.6 | 0 | 112.2 | T71 E72 E78 N79 | T71-K75 HydrophobicContact CG2-CD 4.5Å; T71-K75 WeakPolarHBondContact O-CG 3.35Å; T71-K75 PolarHBondContact O-N 3.49Å; E72-K75 PolarHBondContact O-N 3.19Å; E72-K75 IonicContact OE1-NZ 2.8Å; E72-K75 PolarHBondContact OE1-NZ 3.43Å; K75-E78 PolarHBondContact O-N 3.02Å; K75-N79 VanDerWaalsContact O-CG 3.22Å; K75-N79 PolarHBondContact O-N 3Å; K75-N79 VanDerWaalsContact O-N 3.15Å; K75-N79 PolarHBondContact O-ND2 2.88Å; K75-N79 PolarHBondContact O-OD1 3.36Å |
| 76 | A | 93.1 | Very high | 89.9 | Confident | 57 Ų | 57 | 107.8 Ų | 107.8 | 47% | 0.471 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.7 | -40 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112 | E72 A73 L74 M80 | E72-A76 WeakPolarHBondContact O-CB 3.4Å; E72-A76 PolarHBondContact O-N 3.04Å; A73-A76 PolarHBondContact O-N 3.49Å; L74-A76 VanDerWaalsContact C-N 3.29Å; L74-A76 PolarHBondContact O-N 3.01Å; A76-M80 PolarHBondContact O-N 3.07Å |
| 77 | A | 92.1 | Very high | 89.4 | Confident | 56 Ų | 56 | 105.8 Ų | 105.8 | 46% | 0.463 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.7 | -45 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A73 L74 N79 M80 T81 | A73-A77 WeakPolarHBondContact O-CB 3.49Å; A73-A77 PolarHBondContact O-N 3.05Å; L74-A77 WeakPolarHBondContact O-CB 3.48Å; L74-A77 PolarHBondContact O-N 3.33Å; L74-A77 VanDerWaalsContact O-N 3.14Å; A77-N79 VanDerWaalsContact C-N 3.31Å; A77-N79 PolarHBondContact O-N 3.04Å; A77-M80 PolarHBondContact O-N 3.47Å; A77-T81 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 3.33Å; A77-T81 VanDerWaalsContact O-OG1 3.05Å |
| 78 | E | 91.2 | Very high | 89 | Confident | 123 Ų | 123 | 105.4 Ų | 105.4 | 58% | 0.575 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -57.8 | -43 | 177.4 | -71.9 | 175.4 | 155.1 | 0 | 0 | 112.2 | L74 K75 M80 T81 S82 | L74-E78 WeakPolarHBondContact O-CG 3.46Å; L74-E78 PolarHBondContact O-N 3.06Å; K75-E78 PolarHBondContact O-N 3.02Å; E78-M80 PolarHBondContact O-N 3.36Å; E78-T81 PolarHBondContact O-N 3.34Å; E78-T81 PolarHBondContact O-OG1 3.04Å; E78-S82 PolarHBondContact O-N 3.33Å; E78-S82 PolarHBondContact O-OG 3.5Å; E78-S82 VanDerWaalsContact O-OG 3.12Å |
| 79 | N | 84.8 | Confident | 88.6 | Confident | 123 Ų | 123 | 105.7 Ų | 105.7 | 66% | 0.658 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -65.9 | -22.4 | 177.7 | -69.6 | -10.5 | 0 | 0 | 0 | 113.6 | K75 A77 | K75-N79 VanDerWaalsContact O-CG 3.22Å; K75-N79 PolarHBondContact O-N 3Å; K75-N79 VanDerWaalsContact O-N 3.15Å; K75-N79 PolarHBondContact O-ND2 2.88Å; K75-N79 PolarHBondContact O-OD1 3.36Å; A77-N79 VanDerWaalsContact C-N 3.31Å; A77-N79 PolarHBondContact O-N 3.04Å |
| 80 | M | 79.8 | Confident | 88.1 | Confident | 170 Ų | 170 | 101.1 Ų | 101.1 | 84% | 0.837 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -89.5 | -16.1 | -179.6 | -141.1 | 161 | 76.9 | 0 | 0 | 112.6 | A76 A77 E78 | A76-M80 PolarHBondContact O-N 3.07Å; A77-M80 PolarHBondContact O-N 3.47Å; E78-M80 PolarHBondContact O-N 3.36Å |
| 81 | T | 74.9 | Confident | 87.4 | Confident | 123 Ų | 123 | 105.3 Ų | 105.3 | 76% | 0.755 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -96.4 | -6.3 | 175.1 | 33.3 | 0 | 0 | 0 | 0 | 114.4 | A77 E78 | A77-T81 PolarHBondContact O-N 3.45Å; A77-T81 PolarHBondContact O-OG1 3.33Å; A77-T81 VanDerWaalsContact O-OG1 3.05Å; E78-T81 PolarHBondContact O-N 3.34Å; E78-T81 PolarHBondContact O-OG1 3.04Å |
| 82 | S | 58 | Low | 86.7 | Confident | 157 Ų | 157 | 108.7 Ų | 108.7 | 100% | 1.098 | 63% | 0.629 | S | S | * | * | trans | -97.5 | 0 | 175.1 | -54.8 | 0 | 0 | 0 | 0 | 111 | E78 | E78-S82 PolarHBondContact O-N 3.33Å; E78-S82 PolarHBondContact O-OG 3.5Å; E78-S82 VanDerWaalsContact O-OG 3.12Å |
Retrieved 82 of 82 residues in 86.7 ms
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