| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 36.4 | Very low | 61.7 | Low | 254 Ų | 254 | 112.2 Ų | 112.2 | 100% | 1.251 | 69% | 0.693 | S | S | * | * | 0 | 90.6 | 0 | -84.5 | 173.9 | 151.4 | 0 | 0 | 107.1 | |||||
| 2 | A | 49.6 | Very low | 63.7 | Low | 84 Ų | 84 | 109.9 Ų | 109.9 | 69% | 0.694 | 68% | 0.678 | S | S | * | * | trans | -141.2 | 129.8 | 177.4 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 3 | D | 45.5 | Very low | 65.5 | Low | 152 Ų | 152 | 109.2 Ų | 109.2 | 81% | 0.813 | 67% | 0.673 | S | S | * | * | trans | 154 | 79.8 | 134.6 | -75.7 | -12.2 | 0 | 0 | 0 | 109.8 | S5 | D3-S5 PolarHBondContact O-N 3.27Š| ||
| 4 | S | 55.6 | Low | 67.1 | Low | 118 Ų | 118 | 107 Ų | 107 | 83% | 0.825 | 65% | 0.654 | S | S | * | * | trans | -79.8 | 104.1 | 163.6 | 54.1 | 0 | 0 | 0 | 0 | 108.6 | P6 | S4-P6 WeakPolarHBondContact O-CD 3.37Š| ||
| 5 | S | 58 | Low | 68.6 | Low | 85 Ų | 85 | 106.9 Ų | 106.9 | 59% | 0.594 | 65% | 0.653 | S | S | * | * | trans | -50.8 | 111.5 | -170.2 | -49.4 | 0 | 0 | 0 | 0 | 115 | D3 L7 | D3-S5 PolarHBondContact O-N 3.27Å; S5-L7 PolarHBondContact O-N 3.45Å | ||
| 6 | P | 56.8 | Low | 70.1 | Confident | 110 Ų | 110 | 107.9 Ų | 107.9 | 71% | 0.714 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.4 | 0.3 | 173.6 | 27.7 | -33.6 | 0 | 0 | 0 | 114 | S4 S8 | S4-P6 WeakPolarHBondContact O-CD 3.37Å; P6-S8 VanDerWaalsContact C-N 3.35Å; P6-S8 PolarHBondContact O-N 3.27Å |
| 7 | L | 57.9 | Low | 71.4 | Confident | 116 Ų | 116 | 104.9 Ų | 104.9 | 61% | 0.607 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -74.3 | -21.2 | -174.6 | -59.1 | 173.8 | 0 | 0 | 0 | 113.5 | S5 N11 | S5-L7 PolarHBondContact O-N 3.45Å; L7-N11 VanDerWaalsContact O-CB 3.32Å; L7-N11 WeakPolarHBondContact O-CB 3.4Å; L7-N11 PolarHBondContact O-N 3.33Å; L7-N11 PolarHBondContact O-ND2 3.2Å |
| 8 | S | 73.2 | Confident | 72.7 | Confident | 86 Ų | 86 | 107.2 Ų | 107.2 | 60% | 0.601 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -69 | -45.6 | -174.9 | -173.4 | 0 | 0 | 0 | 0 | 112.8 | P6 V12 | P6-S8 VanDerWaalsContact C-N 3.35Å; P6-S8 PolarHBondContact O-N 3.27Å; S8-V12 VanDerWaalsContact O-CG2 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.38Å; S8-V12 PolarHBondContact O-N 2.97Å; S8-V12 VanDerWaalsContact O-N 3.13Å |
| 9 | G | 77.1 | Confident | 73.9 | Confident | 47 Ų | 47 | 103.8 Ų | 103.8 | 49% | 0.485 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -68.9 | -41.5 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | N11 V12 V13 | G9-N11 PolarHBondContact O-N 3.46Å; G9-V12 PolarHBondContact O-N 3.44Å; G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 3.46Å |
| 10 | V | 85.4 | Confident | 74.8 | Confident | 90 Ų | 90 | 103.5 Ų | 103.5 | 55% | 0.545 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -64.8 | -41.5 | 178.4 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | V12 V13 L14 | V10-V12 VanDerWaalsContact C-N 3.35Å; V10-V12 PolarHBondContact O-N 3.3Å; V10-V13 PolarHBondContact O-N 3.34Å; V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 2.94Å |
| 11 | N | 83.7 | Confident | 75.7 | Confident | 92 Ų | 92 | 103.2 Ų | 103.2 | 49% | 0.492 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 176.7 | -71.3 | -10.4 | 0 | 0 | 0 | 112.1 | L7 G9 L14 V15 | L7-N11 VanDerWaalsContact O-CB 3.32Å; L7-N11 WeakPolarHBondContact O-CB 3.4Å; L7-N11 PolarHBondContact O-N 3.33Å; L7-N11 PolarHBondContact O-ND2 3.2Å; G9-N11 PolarHBondContact O-N 3.46Å; N11-L14 PolarHBondContact O-N 3.35Å; N11-V15 WeakPolarHBondContact O-CB 3.23Å; N11-V15 VanDerWaalsContact O-CG2 3.24Å; N11-V15 WeakPolarHBondContact O-CG2 3.39Å; N11-V15 PolarHBondContact O-N 2.91Å |
| 12 | V | 85.1 | Confident | 78.5 | Confident | 85 Ų | 85 | 95.2 Ų | 95.2 | 52% | 0.515 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.1 | -43.9 | 175.2 | 171.7 | 0 | 0 | 0 | 0 | 111.3 | S8 G9 V10 V15 M16 | S8-V12 VanDerWaalsContact O-CG2 3.3Å; S8-V12 WeakPolarHBondContact O-CG2 3.38Å; S8-V12 PolarHBondContact O-N 2.97Å; S8-V12 VanDerWaalsContact O-N 3.13Å; G9-V12 PolarHBondContact O-N 3.44Å; V10-V12 VanDerWaalsContact C-N 3.35Å; V10-V12 PolarHBondContact O-N 3.3Å; V12-V15 PolarHBondContact O-N 3.02Å; V12-M16 WeakPolarHBondContact O-CB 3.44Å; V12-M16 WeakPolarHBondContact O-CG 3.41Å; V12-M16 PolarHBondContact O-N 2.86Å |
| 13 | V | 87 | Confident | 80.5 | Confident | 100 Ų | 100 | 98.1 Ų | 98.1 | 61% | 0.606 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -65 | -41 | 177.8 | 175.5 | 0 | 0 | 0 | 0 | 111.2 | G9 V10 M16 A17 | G9-V13 WeakPolarHBondContact O-CG2 3.33Å; G9-V13 PolarHBondContact O-N 3.46Å; V10-V13 PolarHBondContact O-N 3.34Å; V13-M16 PolarHBondContact O-N 3.12Å; V13-A17 WeakPolarHBondContact O-CB 3.25Å; V13-A17 PolarHBondContact O-N 3.45Å |
| 14 | L | 87.8 | Confident | 82.8 | Confident | 79 Ų | 79 | 94.6 Ų | 94.6 | 41% | 0.414 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -61.4 | -48.9 | 174.7 | -77.4 | 163.7 | 0 | 0 | 0 | 111.1 | V10 N11 M16 A17 Y18 | V10-L14 HydrophobicContact CG1-CD1 3.95Å; V10-L14 WeakPolarHBondContact O-CB 3.49Å; V10-L14 WeakPolarHBondContact O-CG 3.47Å; V10-L14 PolarHBondContact O-N 2.94Å; N11-L14 PolarHBondContact O-N 3.35Å; L14-M16 VanDerWaalsContact C-N 3.29Å; L14-M16 PolarHBondContact O-N 3.21Å; L14-A17 PolarHBondContact O-N 3.49Å; L14-Y18 HydrophobicContact CB-CD2 4.45Å; L14-Y18 HydrophobicContact CD2-CD2 4.36Å; L14-Y18 HydrophobicContact CD2-CE2 3.83Å; L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 WeakPolarHBondContact O-CD2 3.5Å; L14-Y18 PolarHBondContact O-N 3.43Å |
| 15 | V | 90.4 | Very high | 84.4 | Confident | 106 Ų | 106 | 92.9 Ų | 92.9 | 64% | 0.642 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -60.1 | -40.4 | 178.2 | 170.7 | 0 | 0 | 0 | 0 | 111.3 | N11 V12 G19 | N11-V15 WeakPolarHBondContact O-CB 3.23Å; N11-V15 VanDerWaalsContact O-CG2 3.24Å; N11-V15 WeakPolarHBondContact O-CG2 3.39Å; N11-V15 PolarHBondContact O-N 2.91Å; V12-V15 PolarHBondContact O-N 3.02Å; V15-G19 WeakPolarHBondContact O-CA 3.32Å; V15-G19 PolarHBondContact O-N 2.87Å |
| 16 | M | 91.9 | Very high | 86 | Confident | 122 Ų | 122 | 93.9 Ų | 93.9 | 60% | 0.601 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -67 | -43.4 | 175.8 | -74.4 | -61.7 | -141.5 | 0 | 0 | 112.5 | V12 V13 L14 N20 | V12-M16 WeakPolarHBondContact O-CB 3.44Å; V12-M16 WeakPolarHBondContact O-CG 3.41Å; V12-M16 PolarHBondContact O-N 2.86Å; V13-M16 PolarHBondContact O-N 3.12Å; L14-M16 VanDerWaalsContact C-N 3.29Å; L14-M16 PolarHBondContact O-N 3.21Å; M16-N20 WeakPolarHBondContact O-CB 3.47Å; M16-N20 PolarHBondContact O-N 2.92Å; M16-N20 PolarHBondContact O-ND2 3.23Å |
| 17 | A | 93.3 | Very high | 87.6 | Confident | 57 Ų | 57 | 95 Ų | 95 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.5 | -47.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | V13 L14 N20 L21 | V13-A17 WeakPolarHBondContact O-CB 3.25Å; V13-A17 PolarHBondContact O-N 3.45Å; L14-A17 PolarHBondContact O-N 3.49Å; A17-N20 PolarHBondContact O-N 3.34Å; A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 2.97Å |
| 18 | Y | 94.4 | Very high | 89 | Confident | 147 Ų | 147 | 93.8 Ų | 93.8 | 58% | 0.576 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.1 | -39 | 177.2 | -79.6 | -74.6 | 0 | 0 | 0 | 112.1 | L14 N20 L21 V22 | L14-Y18 HydrophobicContact CB-CD2 4.45Å; L14-Y18 HydrophobicContact CD2-CD2 4.36Å; L14-Y18 HydrophobicContact CD2-CE2 3.83Å; L14-Y18 WeakPolarHBondContact O-CB 3.34Å; L14-Y18 WeakPolarHBondContact O-CD2 3.5Å; L14-Y18 PolarHBondContact O-N 3.43Å; Y18-N20 PolarHBondContact O-N 3.48Å; Y18-L21 PolarHBondContact O-N 3.49Å; Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.42Å |
| 19 | G | 94.3 | Very high | 89.6 | Confident | 42 Ų | 42 | 94.9 Ų | 94.9 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.1 | -45.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | V15 V22 F23 | V15-G19 WeakPolarHBondContact O-CA 3.32Å; V15-G19 PolarHBondContact O-N 2.87Å; G19-V22 PolarHBondContact O-N 3.37Å; G19-F23 WeakPolarHBondContact O-CB 3.37Å; G19-F23 PolarHBondContact O-N 3.48Å |
| 20 | N | 93.6 | Very high | 89.9 | Confident | 98 Ų | 98 | 96 Ų | 96 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -66.6 | -40.1 | 175.5 | -75.5 | -55.8 | 0 | 0 | 0 | 112.3 | M16 A17 Y18 V22 F23 V24 | M16-N20 WeakPolarHBondContact O-CB 3.47Å; M16-N20 PolarHBondContact O-N 2.92Å; M16-N20 PolarHBondContact O-ND2 3.23Å; A17-N20 PolarHBondContact O-N 3.34Å; Y18-N20 PolarHBondContact O-N 3.48Å; N20-V22 PolarHBondContact O-N 2.95Å; N20-F23 PolarHBondContact O-N 2.7Å; N20-V24 WeakPolarHBondContact O-CB 3.41Å; N20-V24 VanDerWaalsContact O-CG2 3.27Å; N20-V24 WeakPolarHBondContact O-CG2 3.41Å; N20-V24 PolarHBondContact O-N 3.11Å |
| 21 | L | 93.8 | Very high | 89.9 | Confident | 97 Ų | 97 | 98.5 Ų | 98.5 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -46.6 | 176.8 | -177.2 | 67 | 0 | 0 | 0 | 111.6 | A17 Y18 V24 L25 | A17-L21 WeakPolarHBondContact O-CB 3.29Å; A17-L21 PolarHBondContact O-N 2.97Å; Y18-L21 PolarHBondContact O-N 3.49Å; L21-V24 PolarHBondContact O-N 3.17Å; L21-L25 HydrophobicContact CG-CD1 4.25Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 3.1Å |
| 22 | V | 93.9 | Very high | 89.7 | Confident | 86 Ų | 86 | 99.8 Ų | 99.8 | 52% | 0.521 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -43 | 176.8 | 172.6 | 0 | 0 | 0 | 0 | 110.6 | Y18 G19 N20 L25 L26 | Y18-V22 WeakPolarHBondContact O-CG2 3.49Å; Y18-V22 PolarHBondContact O-N 3.42Å; G19-V22 PolarHBondContact O-N 3.37Å; N20-V22 PolarHBondContact O-N 2.95Å; V22-L25 PolarHBondContact O-N 3.48Å; V22-L26 WeakPolarHBondContact O-CB 3.36Å; V22-L26 PolarHBondContact O-N 3.25Å |
| 23 | F | 92.5 | Very high | 89.4 | Confident | 145 Ų | 145 | 101.2 Ų | 101.2 | 64% | 0.636 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 177.6 | -173 | -100.2 | 0 | 0 | 0 | 112.3 | G19 N20 L26 F27 | G19-F23 WeakPolarHBondContact O-CB 3.37Å; G19-F23 PolarHBondContact O-N 3.48Å; N20-F23 PolarHBondContact O-N 2.7Å; F23-L26 PolarHBondContact O-N 3.4Å; F23-F27 WeakPolarHBondContact O-CB 3.45Å; F23-F27 PolarHBondContact O-N 2.91Å |
| 24 | V | 92.4 | Very high | 88.8 | Confident | 78 Ų | 78 | 101.5 Ų | 101.5 | 47% | 0.473 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -43.9 | 176.4 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | N20 L21 L26 F27 I28 | N20-V24 WeakPolarHBondContact O-CB 3.41Å; N20-V24 VanDerWaalsContact O-CG2 3.27Å; N20-V24 WeakPolarHBondContact O-CG2 3.41Å; N20-V24 PolarHBondContact O-N 3.11Å; L21-V24 PolarHBondContact O-N 3.17Å; V24-L26 PolarHBondContact O-N 2.9Å; V24-F27 PolarHBondContact O-N 3.07Å; V24-I28 HydrophobicContact CG1-CD1 3.9Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.5Å; V24-I28 PolarHBondContact O-N 2.95Å |
| 25 | L | 90.3 | Very high | 88.1 | Confident | 82 Ų | 82 | 103.2 Ų | 103.2 | 43% | 0.429 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.7 | -46.9 | 176.3 | -73.5 | 171.1 | 0 | 0 | 0 | 111 | L21 V22 F27 I28 F29 | L21-L25 HydrophobicContact CG-CD1 4.25Å; L21-L25 WeakPolarHBondContact O-CB 3.5Å; L21-L25 VanDerWaalsContact O-CG 3.28Å; L21-L25 WeakPolarHBondContact O-CG 3.39Å; L21-L25 PolarHBondContact O-N 3.1Å; V22-L25 PolarHBondContact O-N 3.48Å; L25-F27 VanDerWaalsContact C-N 3.31Å; L25-F27 PolarHBondContact O-N 2.97Å; L25-I28 PolarHBondContact O-N 2.94Å; L25-F29 HydrophobicContact CB-CD2 4.47Å; L25-F29 HydrophobicContact CB-CE2 4.39Å; L25-F29 WeakPolarHBondContact O-CD2 3.12Å; L25-F29 PolarHBondContact O-N 2.83Å |
| 26 | L | 91.3 | Very high | 87 | Confident | 107 Ų | 107 | 104.5 Ų | 104.5 | 56% | 0.56 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.6 | -41 | 179.1 | -155.1 | 153.3 | 0 | 0 | 0 | 111 | V22 F23 V24 F29 V30 | V22-L26 WeakPolarHBondContact O-CB 3.36Å; V22-L26 PolarHBondContact O-N 3.25Å; F23-L26 PolarHBondContact O-N 3.4Å; V24-L26 PolarHBondContact O-N 2.9Å; L26-F29 PolarHBondContact O-N 2.87Å; L26-V30 HydrophobicContact CD2-CG2 3.85Å; L26-V30 WeakPolarHBondContact O-CB 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.34Å; L26-V30 PolarHBondContact O-N 3.37Å |
| 27 | F | 89.6 | Confident | 85.5 | Confident | 132 Ų | 132 | 106.3 Ų | 106.3 | 58% | 0.579 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.5 | -43.4 | 174.7 | -171.1 | -99.2 | 0 | 0 | 0 | 112.6 | F23 V24 L25 F29 V30 K31 | F23-F27 WeakPolarHBondContact O-CB 3.45Å; F23-F27 PolarHBondContact O-N 2.91Å; V24-F27 PolarHBondContact O-N 3.07Å; L25-F27 VanDerWaalsContact C-N 3.31Å; L25-F27 PolarHBondContact O-N 2.97Å; F27-F29 VanDerWaalsContact C-N 3.35Å; F27-V30 PolarHBondContact O-N 2.77Å; F27-K31 HydrophobicContact CE1-CD 4.49Å; F27-K31 VanDerWaalsContact O-CB 3.26Å; F27-K31 WeakPolarHBondContact O-CB 3.48Å; F27-K31 PolarHBondContact O-N 3.38Å |
| 28 | I | 88.1 | Confident | 83.9 | Confident | 91 Ų | 91 | 105.5 Ų | 105.5 | 47% | 0.467 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.6 | -42.1 | 175.2 | -66.8 | 165.7 | 0 | 0 | 0 | 110.5 | V24 L25 R32 | V24-I28 HydrophobicContact CG1-CD1 3.9Å; V24-I28 VanDerWaalsContact O-CG1 3.3Å; V24-I28 WeakPolarHBondContact O-CG1 3.5Å; V24-I28 PolarHBondContact O-N 2.95Å; L25-I28 PolarHBondContact O-N 2.94Å; I28-R32 WeakPolarHBondContact O-CB 3.33Å; I28-R32 PolarHBondContact O-N 3.49Å |
| 29 | F | 85.4 | Confident | 82.3 | Confident | 110 Ų | 110 | 104.9 Ų | 104.9 | 48% | 0.482 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.5 | -47.9 | 177.1 | -79.6 | -65.9 | 0 | 0 | 0 | 111.5 | L25 L26 F27 R32 Q33 | L25-F29 HydrophobicContact CB-CD2 4.47Å; L25-F29 HydrophobicContact CB-CE2 4.39Å; L25-F29 WeakPolarHBondContact O-CD2 3.12Å; L25-F29 PolarHBondContact O-N 2.83Å; L26-F29 PolarHBondContact O-N 2.87Å; F27-F29 VanDerWaalsContact C-N 3.35Å; F29-R32 PolarHBondContact O-N 3.4Å; F29-Q33 WeakPolarHBondContact O-CB 3.45Å; F29-Q33 WeakPolarHBondContact O-CG 3.48Å; F29-Q33 PolarHBondContact O-N 3.36Å |
| 30 | V | 84.4 | Confident | 80.7 | Confident | 69 Ų | 69 | 111.4 Ų | 111.4 | 42% | 0.418 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -60.8 | -48.5 | 176.9 | 171.5 | 0 | 0 | 0 | 0 | 110.8 | L26 F27 R32 Q33 I34 | L26-V30 HydrophobicContact CD2-CG2 3.85Å; L26-V30 WeakPolarHBondContact O-CB 3.27Å; L26-V30 WeakPolarHBondContact O-CG2 3.34Å; L26-V30 PolarHBondContact O-N 3.37Å; F27-V30 PolarHBondContact O-N 2.77Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.19Å; V30-Q33 PolarHBondContact O-N 2.95Å; V30-I34 HydrophobicContact CG1-CD1 3.62Å; V30-I34 HydrophobicContact CG1-CG1 4.32Å; V30-I34 WeakPolarHBondContact O-CB 3.46Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.26Å; V30-I34 PolarHBondContact O-N 3.19Å |
| 31 | K | 84.5 | Confident | 78.8 | Confident | 143 Ų | 143 | 110.5 Ų | 110.5 | 62% | 0.622 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -58.4 | -41.6 | 176.2 | -175.5 | 175.1 | 177.1 | 169.7 | 0 | 111.9 | F27 M35 | F27-K31 HydrophobicContact CE1-CD 4.49Å; F27-K31 VanDerWaalsContact O-CB 3.26Å; F27-K31 WeakPolarHBondContact O-CB 3.48Å; F27-K31 PolarHBondContact O-N 3.38Å; K31-M35 WeakPolarHBondContact O-CB 3.3Å; K31-M35 PolarHBondContact O-N 2.72Å |
| 32 | R | 80.4 | Confident | 77.1 | Confident | 119 Ų | 119 | 115.4 Ų | 115.4 | 45% | 0.449 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -71.3 | -35.1 | 178.4 | -166.4 | 165.6 | 98.1 | 173 | 3.7 | 112.3 | I28 F29 V30 M35 R36 | I28-R32 WeakPolarHBondContact O-CB 3.33Å; I28-R32 PolarHBondContact O-N 3.49Å; F29-R32 PolarHBondContact O-N 3.4Å; V30-R32 VanDerWaalsContact C-N 3.3Å; V30-R32 PolarHBondContact O-N 3.19Å; R32-M35 HydrophobicContact CG-CE 4.4Å; R32-R36 WeakPolarHBondContact O-CG 3.31Å; R32-R36 PolarHBondContact O-N 3.23Å |
| 33 | Q | 77.9 | Confident | 75.3 | Confident | 116 Ų | 116 | 117.6 Ų | 117.6 | 54% | 0.542 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -69.3 | -44 | 174.9 | -70.7 | -67.7 | 6.8 | 0 | 0 | 111 | F29 V30 M35 R36 F37 | F29-Q33 WeakPolarHBondContact O-CB 3.45Å; F29-Q33 WeakPolarHBondContact O-CG 3.48Å; F29-Q33 PolarHBondContact O-N 3.36Å; V30-Q33 PolarHBondContact O-N 2.95Å; Q33-M35 VanDerWaalsContact C-N 3.34Å; Q33-M35 PolarHBondContact O-N 3.2Å; Q33-R36 PolarHBondContact O-N 3.16Å; Q33-F37 VanDerWaalsContact O-CB 3.29Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.44Å |
| 34 | I | 75.6 | Confident | 73.8 | Confident | 105 Ų | 105 | 112.5 Ų | 112.5 | 54% | 0.538 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 174.2 | -66 | 166.3 | 0 | 0 | 0 | 110.4 | V30 R36 F37 A38 | V30-I34 HydrophobicContact CG1-CD1 3.62Å; V30-I34 HydrophobicContact CG1-CG1 4.32Å; V30-I34 WeakPolarHBondContact O-CB 3.46Å; V30-I34 VanDerWaalsContact O-CG1 3.26Å; V30-I34 WeakPolarHBondContact O-CG1 3.26Å; V30-I34 PolarHBondContact O-N 3.19Å; I34-R36 PolarHBondContact O-N 2.92Å; I34-F37 PolarHBondContact O-N 3.49Å; I34-A38 VanDerWaalsContact O-CB 3.26Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 2.82Å |
| 35 | M | 72.8 | Confident | 72.4 | Confident | 116 Ų | 116 | 114.9 Ų | 114.9 | 57% | 0.571 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -60.3 | -45.4 | 175.8 | -175 | 179.1 | 73.4 | 0 | 0 | 111.8 | K31 R32 Q33 M39 | K31-M35 WeakPolarHBondContact O-CB 3.3Å; K31-M35 PolarHBondContact O-N 2.72Å; R32-M35 HydrophobicContact CG-CE 4.4Å; Q33-M35 VanDerWaalsContact C-N 3.34Å; Q33-M35 PolarHBondContact O-N 3.2Å; M35-M39 WeakPolarHBondContact O-CB 3.44Å; M35-M39 WeakPolarHBondContact O-CG 3.5Å; M35-M39 PolarHBondContact O-N 3.45Å |
| 36 | R | 66.4 | Low | 71 | Confident | 133 Ų | 133 | 119.3 Ų | 119.3 | 50% | 0.502 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -65.6 | -38.7 | 176.2 | -74 | -180 | -165.2 | -169.1 | 1.9 | 112.2 | R32 Q33 I34 M39 R40 | R32-R36 WeakPolarHBondContact O-CG 3.31Å; R32-R36 PolarHBondContact O-N 3.23Å; Q33-R36 PolarHBondContact O-N 3.16Å; I34-R36 PolarHBondContact O-N 2.92Å; R36-M39 PolarHBondContact O-N 3.23Å; R36-R40 WeakPolarHBondContact O-CB 3.08Å; R36-R40 PolarHBondContact O-N 2.94Å |
| 37 | F | 60.4 | Low | 70 | Confident | 159 Ų | 159 | 117.1 Ų | 117.1 | 70% | 0.697 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -69 | -44.7 | 179.5 | -166.7 | -98.3 | 0 | 0 | 0 | 111.5 | Q33 I34 M39 R40 S41 | Q33-F37 VanDerWaalsContact O-CB 3.29Å; Q33-F37 WeakPolarHBondContact O-CB 3.47Å; Q33-F37 PolarHBondContact O-N 3.44Å; I34-F37 PolarHBondContact O-N 3.49Å; F37-M39 VanDerWaalsContact C-N 3.3Å; F37-M39 PolarHBondContact O-N 2.74Å; F37-R40 PolarHBondContact O-N 3.26Å; F37-R40 VanDerWaalsContact O-N 3.13Å; F37-S41 WeakPolarHBondContact O-CB 3.32Å; F37-S41 PolarHBondContact O-N 3.41Å; F37-S41 PolarHBondContact O-OG 3.04Å |
| 38 | A | 60.1 | Low | 69.1 | Low | 40 Ų | 40 | 114.6 Ų | 114.6 | 33% | 0.331 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64.7 | -32.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | I34 S41 R42 | I34-A38 VanDerWaalsContact O-CB 3.26Å; I34-A38 WeakPolarHBondContact O-CB 3.48Å; I34-A38 PolarHBondContact O-N 2.82Å; A38-S41 PolarHBondContact O-OG 3.27Å; A38-R42 WeakPolarHBondContact O-CG 3.3Å |
| 39 | M | 60.8 | Low | 68.5 | Low | 134 Ų | 134 | 115.8 Ų | 115.8 | 66% | 0.66 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -74.5 | -29.3 | 173.9 | -70.3 | -73.1 | -91.4 | 0 | 0 | 112.3 | M35 R36 F37 | M35-M39 WeakPolarHBondContact O-CB 3.44Å; M35-M39 WeakPolarHBondContact O-CG 3.5Å; M35-M39 PolarHBondContact O-N 3.45Å; R36-M39 PolarHBondContact O-N 3.23Å; F37-M39 VanDerWaalsContact C-N 3.3Å; F37-M39 PolarHBondContact O-N 2.74Å |
| 40 | R | 59.7 | Low | 67.9 | Low | 179 Ų | 179 | 111.5 Ų | 111.5 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -80.9 | -34 | 177 | -162.2 | 85.9 | -178.7 | 173.1 | 2.6 | 112.1 | R36 F37 | R36-R40 WeakPolarHBondContact O-CB 3.08Å; R36-R40 PolarHBondContact O-N 2.94Å; F37-R40 PolarHBondContact O-N 3.26Å; F37-R40 VanDerWaalsContact O-N 3.13Å |
| 41 | S | 54.5 | Low | 67.6 | Low | 80 Ų | 80 | 111.5 Ų | 111.5 | 56% | 0.559 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -77.9 | -14.4 | -177.1 | 67.8 | 0 | 0 | 0 | 0 | 114.5 | F37 A38 R43 | F37-S41 WeakPolarHBondContact O-CB 3.32Å; F37-S41 PolarHBondContact O-N 3.41Å; F37-S41 PolarHBondContact O-OG 3.04Å; A38-S41 PolarHBondContact O-OG 3.27Å; S41-R43 PolarHBondContact O-N 3.47Å |
| 42 | R | 57 | Low | 67.3 | Low | 200 Ų | 200 | 111.2 Ų | 111.2 | 76% | 0.755 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | 6 | 174.9 | -74.7 | 178.3 | -175 | -113.8 | 2.8 | 114.6 | A38 G44 | A38-R42 WeakPolarHBondContact O-CG 3.3Å; R42-G44 PolarHBondContact O-N 3.34Å |
| 43 | R | 56.5 | Low | 67.5 | Low | 131 Ų | 131 | 106.7 Ų | 106.7 | 49% | 0.494 | 55% | 0.545 | S | S | . | . | trans | -76.3 | 70.6 | 170.3 | -78.5 | -173.4 | 167.1 | 94.4 | 1 | 109.8 | S41 | S41-R43 PolarHBondContact O-N 3.47Š| ||
| 44 | G | 61 | Low | 68 | Low | 39 Ų | 39 | 105.7 Ų | 105.7 | 40% | 0.402 | 55% | 0.548 | S | S | . | . | trans | -68.1 | 163.1 | 164 | 0 | 0 | 0 | 0 | 0 | 110.9 | R42 H46 | R42-G44 PolarHBondContact O-N 3.34Å; G44-H46 PolarHBondContact O-N 3.46Å | ||
| 45 | P | 63 | Low | 68.5 | Low | 128 Ų | 128 | 107.6 Ų | 107.6 | 83% | 0.831 | 55% | 0.553 | S | S | * | * | S | Bend | trans | -59.2 | -17.6 | -179.7 | 19 | -29.4 | 0 | 0 | 0 | 114.1 | ||
| 46 | H | 61.9 | Low | 69.2 | Low | 174 Ų | 174 | 103.9 Ų | 103.9 | 81% | 0.806 | 54% | 0.544 | S | S | * | . | S | Bend | trans | -113 | 81.1 | 174 | -55.7 | -68.9 | 0 | 0 | 0 | 109.8 | G44 | G44-H46 PolarHBondContact O-N 3.46Š|
| 47 | A | 69.4 | Low | 70.3 | Confident | 61 Ų | 61 | 102 Ų | 102 | 50% | 0.504 | 54% | 0.544 | S | S | . | . | P | Polyproline II helix | trans | -68.8 | 133.8 | 167.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | H51 | A47-H51 HydrophobicContact CB-CB 4.2Š|
| 48 | P | 71.3 | Confident | 71.6 | Confident | 80 Ų | 80 | 99 Ų | 99 | 52% | 0.519 | 53% | 0.528 | S | S | . | . | P | Polyproline II helix | trans | -60 | 145.9 | 177.4 | 25.1 | -33.1 | 0 | 0 | 0 | 110.1 | G50 H51 | P48-G50 PolarHBondContact O-N 3.49Å; P48-H51 HydrophobicContact CG-CB 4.18Å; P48-H51 WeakPolarHBondContact O-CB 3.37Å; P48-H51 PolarHBondContact O-N 3.44Å |
| 49 | I | 74.8 | Confident | 73 | Confident | 115 Ų | 115 | 101.9 Ų | 101.9 | 59% | 0.59 | 53% | 0.534 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.6 | 124.7 | 178.8 | -58.2 | 172.8 | 0 | 0 | 0 | 107.7 | I61 L65 | I49-I61 HydrophobicContact CB-CG2 4.46Å; I49-I61 HydrophobicContact CG2-CG2 3.88Å; I49-L65 HydrophobicContact CB-CD1 4.11Å; I49-L65 HydrophobicContact CD1-CD1 3.87Å; I49-L65 HydrophobicContact CG2-CD1 4.24Å |
| 50 | G | 74.3 | Confident | 74.5 | Confident | 20 Ų | 20 | 100 Ų | 100 | 21% | 0.206 | 53% | 0.527 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 83.2 | 17.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | P48 N52 A53 | P48-G50 PolarHBondContact O-N 3.49Å; G50-N52 PolarHBondContact O-N 3.47Å; G50-N52 VanDerWaalsContact O-N 3.16Å; G50-A53 VanDerWaalsContact O-CB 3.23Å; G50-A53 WeakPolarHBondContact O-CB 3.24Å; G50-A53 PolarHBondContact O-N 2.92Å |
| 51 | H | 76.4 | Confident | 75.9 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 32% | 0.319 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52 | -36.5 | 178.3 | -177.1 | 74.5 | 0 | 0 | 0 | 114.7 | A47 P48 | A47-H51 HydrophobicContact CB-CB 4.2Å; P48-H51 HydrophobicContact CG-CB 4.18Å; P48-H51 WeakPolarHBondContact O-CB 3.37Å; P48-H51 PolarHBondContact O-N 3.44Å |
| 52 | N | 78.8 | Confident | 77.5 | Confident | 137 Ų | 137 | 93.3 Ų | 93.3 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.9 | 3.5 | 178.5 | -59.1 | -52.8 | 0 | 0 | 0 | 113.3 | G50 | G50-N52 PolarHBondContact O-N 3.47Å; G50-N52 VanDerWaalsContact O-N 3.16Å |
| 53 | A | 84.9 | Confident | 79.1 | Confident | 25 Ų | 25 | 86.4 Ų | 86.4 | 21% | 0.207 | 48% | 0.48 | C | S | . | . | S | Bend | trans | -79.7 | 150.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | G50 L57 R58 I61 | G50-A53 VanDerWaalsContact O-CB 3.23Å; G50-A53 WeakPolarHBondContact O-CB 3.24Å; G50-A53 PolarHBondContact O-N 2.92Å; A53-L57 HydrophobicContact CB-CB 4.15Å; A53-L57 HydrophobicContact CB-CD2 3.99Å; A53-L57 HydrophobicContact CB-CG 4.04Å; A53-R58 HydrophobicContact CB-CB 4.42Å; A53-I61 HydrophobicContact CB-CD1 4.49Å |
| 54 | P | 88.8 | Confident | 80.8 | Confident | 95 Ų | 95 | 87.3 Ų | 87.3 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | trans | -52.3 | 145.9 | 167.9 | -24.1 | 33.1 | 0 | 0 | 0 | 111.2 | G56 L57 R58 | P54-G56 VanDerWaalsContact C-N 3.27Å; P54-G56 PolarHBondContact O-N 2.9Å; P54-G56 VanDerWaalsContact O-N 3.11Å; P54-L57 WeakPolarHBondContact O-CA 3.47Å; P54-L57 WeakPolarHBondContact O-CB 3.24Å; P54-L57 PolarHBondContact O-N 3.24Å; P54-R58 PolarHBondContact O-N 3.29Å | ||
| 55 | K | 84.7 | Confident | 82.1 | Confident | 144 Ų | 144 | 89 Ų | 89 | 63% | 0.626 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -47.7 | -46.8 | -173.6 | -176.7 | -179.6 | 171.6 | -175.1 | 0 | 113.1 | L57 R58 E59 | K55-L57 PolarHBondContact O-N 3Å; K55-R58 PolarHBondContact O-N 3.37Å; K55-E59 WeakPolarHBondContact CE-OE1 3.34Å; K55-E59 WeakPolarHBondContact CG-OE1 3.27Å; K55-E59 WeakPolarHBondContact O-CG 3.14Å; K55-E59 PolarHBondContact O-N 2.98Å |
| 56 | G | 88.9 | Confident | 83.2 | Confident | 38 Ų | 38 | 85.5 Ų | 85.5 | 39% | 0.392 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.8 | -34.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P54 N60 | P54-G56 VanDerWaalsContact C-N 3.27Å; P54-G56 PolarHBondContact O-N 2.9Å; P54-G56 VanDerWaalsContact O-N 3.11Å; G56-N60 PolarHBondContact O-N 3.06Å; G56-N60 VanDerWaalsContact O-N 3.13Å; G56-N60 PolarHBondContact O-ND2 3.14Å |
| 57 | L | 88.8 | Confident | 84.4 | Confident | 94 Ų | 94 | 83 Ų | 83 | 49% | 0.492 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -72.5 | -39.6 | 175.3 | -179.8 | 59.1 | 0 | 0 | 0 | 111.2 | A53 P54 K55 N60 I61 | A53-L57 HydrophobicContact CB-CB 4.15Å; A53-L57 HydrophobicContact CB-CD2 3.99Å; A53-L57 HydrophobicContact CB-CG 4.04Å; P54-L57 WeakPolarHBondContact O-CA 3.47Å; P54-L57 WeakPolarHBondContact O-CB 3.24Å; P54-L57 PolarHBondContact O-N 3.24Å; K55-L57 PolarHBondContact O-N 3Å; L57-N60 PolarHBondContact O-N 3.07Å; L57-I61 HydrophobicContact CD1-CD1 4.4Å; L57-I61 HydrophobicContact CD1-CG1 4.46Å; L57-I61 HydrophobicContact CG-CD1 4.06Å; L57-I61 VanDerWaalsContact O-CG1 3.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.28Å |
| 58 | R | 88.2 | Confident | 85 | Confident | 97 Ų | 97 | 84 Ų | 84 | 37% | 0.366 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -59.8 | -47.8 | 174.7 | -172.3 | -177.4 | 69.5 | -168.7 | 3 | 111.5 | A53 P54 K55 N60 I61 D62 | A53-R58 HydrophobicContact CB-CB 4.42Å; P54-R58 PolarHBondContact O-N 3.29Å; K55-R58 PolarHBondContact O-N 3.37Å; R58-N60 VanDerWaalsContact C-N 3.3Å; R58-N60 PolarHBondContact O-N 2.82Å; R58-I61 WeakPolarHBondContact O-CB 3.18Å; R58-I61 PolarHBondContact O-N 3.43Å; R58-I61 VanDerWaalsContact O-N 3.11Å; R58-D62 PolarHBondContact O-N 2.64Å |
| 59 | E | 89.3 | Confident | 85.1 | Confident | 99 Ų | 99 | 87.7 Ų | 87.7 | 46% | 0.463 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 176.7 | -73.2 | 167.5 | -175.1 | 0 | 0 | 112.1 | K55 D62 S63 | K55-E59 WeakPolarHBondContact CE-OE1 3.34Å; K55-E59 WeakPolarHBondContact CG-OE1 3.27Å; K55-E59 WeakPolarHBondContact O-CG 3.14Å; K55-E59 PolarHBondContact O-N 2.98Å; E59-D62 PolarHBondContact O-N 3.42Å; E59-S63 VanDerWaalsContact O-CB 3.26Å; E59-S63 WeakPolarHBondContact O-CB 3.47Å; E59-S63 PolarHBondContact O-N 3.47Å |
| 60 | N | 91.4 | Very high | 85.2 | Confident | 95 Ų | 95 | 89.2 Ų | 89.2 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.3 | -40.2 | 173.4 | -84.9 | -65.9 | 0 | 0 | 0 | 112.7 | G56 L57 R58 S63 K64 | G56-N60 PolarHBondContact O-N 3.06Å; G56-N60 VanDerWaalsContact O-N 3.13Å; G56-N60 PolarHBondContact O-ND2 3.14Å; L57-N60 PolarHBondContact O-N 3.07Å; R58-N60 VanDerWaalsContact C-N 3.3Å; R58-N60 PolarHBondContact O-N 2.82Å; N60-S63 PolarHBondContact O-N 3.31Å; N60-K64 WeakPolarHBondContact O-CB 3.45Å; N60-K64 WeakPolarHBondContact O-CG 3.49Å; N60-K64 PolarHBondContact O-N 2.66Å |
| 61 | I | 89.5 | Confident | 85.3 | Confident | 44 Ų | 44 | 93.4 Ų | 93.4 | 23% | 0.226 | 48% | 0.484 | C | S | . | . | H | α-helix | trans | -62.2 | -49.7 | 175.5 | -70.9 | 165 | 0 | 0 | 0 | 109.5 | I49 A53 L57 R58 S63 K64 L65 | I49-I61 HydrophobicContact CB-CG2 4.46Å; I49-I61 HydrophobicContact CG2-CG2 3.88Å; A53-I61 HydrophobicContact CB-CD1 4.49Å; L57-I61 HydrophobicContact CD1-CD1 4.4Å; L57-I61 HydrophobicContact CD1-CG1 4.46Å; L57-I61 HydrophobicContact CG-CD1 4.06Å; L57-I61 VanDerWaalsContact O-CG1 3.28Å; L57-I61 WeakPolarHBondContact O-CG1 3.29Å; L57-I61 PolarHBondContact O-N 3.28Å; R58-I61 WeakPolarHBondContact O-CB 3.18Å; R58-I61 PolarHBondContact O-N 3.43Å; R58-I61 VanDerWaalsContact O-N 3.11Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.45Å; I61-K64 PolarHBondContact O-N 2.89Å; I61-L65 HydrophobicContact CG2-CD1 3.73Å; I61-L65 HydrophobicContact CG2-CG 4.28Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 2.83Å |
| 62 | D | 88.9 | Confident | 85 | Confident | 74 Ų | 74 | 92.4 Ų | 92.4 | 40% | 0.396 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.1 | -40.3 | 178.9 | -66.6 | -28 | 0 | 0 | 0 | 111.6 | R58 E59 L65 S66 | R58-D62 PolarHBondContact O-N 2.64Å; E59-D62 PolarHBondContact O-N 3.42Å; D62-L65 PolarHBondContact O-N 2.93Å; D62-S66 WeakPolarHBondContact O-CB 3.48Å; D62-S66 PolarHBondContact O-N 3.2Å; D62-S66 PolarHBondContact O-OG 2.98Å |
| 63 | S | 91.2 | Very high | 84.8 | Confident | 56 Ų | 56 | 92.9 Ų | 92.9 | 39% | 0.392 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -64.1 | -40.4 | 174.4 | 179.3 | 0 | 0 | 0 | 0 | 112.4 | E59 N60 I61 S66 K67 | E59-S63 VanDerWaalsContact O-CB 3.26Å; E59-S63 WeakPolarHBondContact O-CB 3.47Å; E59-S63 PolarHBondContact O-N 3.47Å; N60-S63 PolarHBondContact O-N 3.31Å; I61-S63 VanDerWaalsContact C-N 3.33Å; I61-S63 PolarHBondContact O-N 3.45Å; S63-S66 VanDerWaalsContact CA-OG 3.31Å; S63-S66 WeakPolarHBondContact CA-OG 3.47Å; S63-S66 PolarHBondContact O-OG 3.4Å; S63-K67 WeakPolarHBondContact O-CG 3.24Å; S63-K67 PolarHBondContact O-N 3.39Å |
| 64 | K | 90.6 | Very high | 84.3 | Confident | 150 Ų | 150 | 92.8 Ų | 92.8 | 65% | 0.652 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -72 | -37.7 | 176.7 | -73.8 | -172.7 | 179.4 | -168.7 | 0 | 112.2 | N60 I61 K67 V68 | N60-K64 WeakPolarHBondContact O-CB 3.45Å; N60-K64 WeakPolarHBondContact O-CG 3.49Å; N60-K64 PolarHBondContact O-N 2.66Å; I61-K64 PolarHBondContact O-N 2.89Å; K64-K67 WeakPolarHBondContact O-CB 3.43Å; K64-K67 PolarHBondContact O-N 2.92Å; K64-V68 PolarHBondContact O-N 3.47Å |
| 65 | L | 88.5 | Confident | 84 | Confident | 74 Ų | 74 | 91.9 Ų | 91.9 | 39% | 0.387 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -68.7 | -36 | 176.8 | -71.8 | 174.6 | 0 | 0 | 0 | 112.1 | I49 I61 D62 K67 V68 | I49-L65 HydrophobicContact CB-CD1 4.11Å; I49-L65 HydrophobicContact CD1-CD1 3.87Å; I49-L65 HydrophobicContact CG2-CD1 4.24Å; I61-L65 HydrophobicContact CG2-CD1 3.73Å; I61-L65 HydrophobicContact CG2-CG 4.28Å; I61-L65 WeakPolarHBondContact O-CB 3.47Å; I61-L65 VanDerWaalsContact O-CG 3.29Å; I61-L65 WeakPolarHBondContact O-CG 3.46Å; I61-L65 PolarHBondContact O-N 2.83Å; D62-L65 PolarHBondContact O-N 2.93Å; L65-K67 VanDerWaalsContact C-N 3.33Å; L65-V68 WeakPolarHBondContact O-CB 3.39Å; L65-V68 PolarHBondContact O-N 3.47Å; L65-V68 VanDerWaalsContact O-N 3.16Å |
| 66 | S | 86.3 | Confident | 84 | Confident | 54 Ų | 54 | 89.6 Ų | 89.6 | 38% | 0.378 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.6 | -38.5 | 173.2 | 44.9 | 0 | 0 | 0 | 0 | 111.8 | D62 S63 V68 Q69 | D62-S66 WeakPolarHBondContact O-CB 3.48Å; D62-S66 PolarHBondContact O-N 3.2Å; D62-S66 PolarHBondContact O-OG 2.98Å; S63-S66 VanDerWaalsContact CA-OG 3.31Å; S63-S66 WeakPolarHBondContact CA-OG 3.47Å; S63-S66 PolarHBondContact O-OG 3.4Å; S66-V68 PolarHBondContact O-N 3.15Å; S66-Q69 VanDerWaalsContact O-CB 3.29Å; S66-Q69 WeakPolarHBondContact O-CB 3.42Å; S66-Q69 PolarHBondContact O-N 3.48Å |
| 67 | K | 87.4 | Confident | 83.9 | Confident | 121 Ų | 121 | 90.8 Ų | 90.8 | 53% | 0.526 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -60.1 | -26.8 | 172.3 | -70.2 | 179.9 | -177.4 | -169.4 | 0 | 114.1 | S63 K64 L65 Q69 E70 | S63-K67 WeakPolarHBondContact O-CG 3.24Å; S63-K67 PolarHBondContact O-N 3.39Å; K64-K67 WeakPolarHBondContact O-CB 3.43Å; K64-K67 PolarHBondContact O-N 2.92Å; L65-K67 VanDerWaalsContact C-N 3.33Å; K67-Q69 PolarHBondContact O-N 3.02Å; K67-E70 WeakPolarHBondContact O-CB 3.22Å; K67-E70 PolarHBondContact O-N 2.8Å |
| 68 | V | 82.2 | Confident | 83.8 | Confident | 84 Ų | 84 | 86.8 Ų | 86.8 | 51% | 0.509 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -63.5 | -27.3 | 175 | 179.6 | 0 | 0 | 0 | 0 | 111.2 | K64 L65 S66 E70 I71 | K64-V68 PolarHBondContact O-N 3.47Å; L65-V68 WeakPolarHBondContact O-CB 3.39Å; L65-V68 PolarHBondContact O-N 3.47Å; L65-V68 VanDerWaalsContact O-N 3.16Å; S66-V68 PolarHBondContact O-N 3.15Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 3.41Å; V68-I71 HydrophobicContact CG1-CD1 4.38Å; V68-I71 WeakPolarHBondContact O-CB 3.29Å; V68-I71 PolarHBondContact O-N 3.45Å |
| 69 | Q | 73.7 | Confident | 83.7 | Confident | 157 Ų | 157 | 85.4 Ų | 85.4 | 73% | 0.734 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -70.8 | -24.6 | 175.4 | -54.7 | -179.4 | 23.5 | 0 | 0 | 112.4 | S66 K67 I71 | S66-Q69 VanDerWaalsContact O-CB 3.29Å; S66-Q69 WeakPolarHBondContact O-CB 3.42Å; S66-Q69 PolarHBondContact O-N 3.48Å; K67-Q69 PolarHBondContact O-N 3.02Å; Q69-I71 VanDerWaalsContact C-N 3.28Å |
| 70 | E | 76.8 | Confident | 83.2 | Confident | 147 Ų | 147 | 88.3 Ų | 88.3 | 69% | 0.687 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -12.3 | 175.7 | -56.8 | 174.2 | 177 | 0 | 0 | 112.3 | K67 V68 C72 | K67-E70 WeakPolarHBondContact O-CB 3.22Å; K67-E70 PolarHBondContact O-N 2.8Å; V68-E70 VanDerWaalsContact C-N 3.26Å; V68-E70 PolarHBondContact O-N 3.41Å; E70-C72 PolarHBondContact O-N 3.29Å; E70-C72 PolarHBondContact O-SG 2.79Å |
| 71 | I | 75.9 | Confident | 82.5 | Confident | 108 Ų | 108 | 86.7 Ų | 86.7 | 55% | 0.554 | 46% | 0.457 | S | S | * | . | trans | -72.6 | 97.8 | 177.1 | -57.4 | 176.1 | 0 | 0 | 0 | 108.5 | V68 Q69 | V68-I71 HydrophobicContact CG1-CD1 4.38Å; V68-I71 WeakPolarHBondContact O-CB 3.29Å; V68-I71 PolarHBondContact O-N 3.45Å; Q69-I71 VanDerWaalsContact C-N 3.28Å | ||
| 72 | C | 70.2 | Confident | 82.1 | Confident | 48 Ų | 48 | 85.9 Ų | 85.9 | 32% | 0.324 | 45% | 0.453 | S | S | . | . | trans | -95.4 | -2.1 | 178.1 | -61.3 | 0 | 0 | 0 | 0 | 113.8 | E70 S123 A124 T126 | E70-C72 PolarHBondContact O-N 3.29Å; E70-C72 PolarHBondContact O-SG 2.79Å; C72-S123 VanDerWaalsContact O-O 3.07Å; C72-A124 HydrophobicContact CB-CB 4.02Å; C72-A124 WeakPolarHBondContact O-CA 3.29Å; C72-T126 VanDerWaalsContact C-CG2 3.42Å; C72-T126 VanDerWaalsContact CA-CG2 3.47Å; C72-T126 HydrophobicContact CB-CG2 4.46Å; C72-T126 VanDerWaalsContact O-CG2 3.24Å; C72-T126 WeakPolarHBondContact O-CG2 3.41Å | ||
| 73 | F | 73.8 | Confident | 81.5 | Confident | 146 Ų | 146 | 87.2 Ų | 87.2 | 64% | 0.64 | 46% | 0.461 | S | S | * | . | P | Polyproline II helix | trans | -102.3 | 125.3 | -174.2 | -177.6 | -100.3 | 0 | 0 | 0 | 112.1 | P75 | F73-P75 HydrophobicContact CE1-CB 4.15Š|
| 74 | E | 76 | Confident | 81 | Confident | 24 Ų | 24 | 88.5 Ų | 88.5 | 11% | 0.112 | 46% | 0.457 | C | S | . | . | P | Polyproline II helix | trans | -99.9 | 124.4 | 169 | -168.7 | 154 | 163.5 | 0 | 0 | 109.4 | R109 F125 G127 R163 | E74-R109 PolarHBondContact O-NH2 2.96Å; E74-F125 WeakPolarHBondContact CB-O 3.46Å; E74-G127 PolarHBondContact OE2-N 3.3Å; E74-R163 IonicContact OE1-CZ 3.31Å; E74-R163 IonicContact OE1-NH1 2.82Å; E74-R163 PolarHBondContact OE1-NH1 2.98Å; E74-R163 IonicContact OE1-NH2 3.59Å; E74-R163 PolarHBondContact OE1-NH2 3.33Å; E74-R163 IonicContact OE2-CZ 3.28Å; E74-R163 IonicContact OE2-NH1 3.41Å; E74-R163 PolarHBondContact OE2-NH1 3.45Å; E74-R163 VanDerWaalsContact OE2-NH1 3.11Å; E74-R163 IonicContact OE2-NH2 3.1Å; E74-R163 PolarHBondContact OE2-NH2 3.08Å |
| 75 | P | 80.9 | Confident | 80.1 | Confident | 75 Ų | 75 | 84.1 Ų | 84.1 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -74.6 | 153.4 | 176.4 | 30.4 | -33.8 | 0 | 0 | 0 | 111.3 | F73 | F73-P75 HydrophobicContact CE1-CB 4.15Š|
| 76 | R | 85.3 | Confident | 79.1 | Confident | 97 Ų | 97 | 90.4 Ų | 90.4 | 37% | 0.366 | 46% | 0.459 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 131.1 | 167.6 | -165.3 | -179.2 | -159.1 | -173.4 | 5.1 | 108.6 | L78 E80 D106 D110 | R76-L78 VanDerWaalsContact CD-O 3.3Å; R76-L78 WeakPolarHBondContact CD-O 3.26Å; R76-L78 WeakPolarHBondContact CG-O 3.23Å; R76-L78 PolarHBondContact NE-O 3.42Å; R76-E80 IonicContact CZ-OE1 2.69Å; R76-E80 IonicContact NH1-OE1 3.03Å; R76-E80 PolarHBondContact NH1-OE1 3.27Å; R76-E80 IonicContact NH2-OE1 3.27Å; R76-D106 WeakPolarHBondContact CG-OD1 3.34Å; R76-D110 IonicContact NH2-OD1 3.68Å; R76-D110 IonicContact NH2-OD2 3.59Å; R76-D110 PolarHBondContact NH2-OD2 3.09Å |
| 77 | L | 87.6 | Confident | 78 | Confident | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 47% | 0.469 | S | S | . | . | S | Bend | trans | -85.1 | -34.8 | -172.6 | -60 | 177.5 | 0 | 0 | 0 | 112.3 | M102 L105 D106 | L77-M102 HydrophobicContact CB-CB 3.97Å; L77-M102 HydrophobicContact CB-CG 4.03Å; L77-M102 HydrophobicContact CD1-CB 4.14Å; L77-M102 HydrophobicContact CD1-CG 4.02Å; L77-L105 HydrophobicContact CD1-CB 3.96Å; L77-L105 HydrophobicContact CD1-CD1 3.65Å; L77-L105 HydrophobicContact CD1-CG 4.42Å; L77-D106 PolarHBondContact N-OD1 2.75Å; L77-D106 PolarHBondContact N-OD2 3.47Å |
| 78 | L | 87.2 | Confident | 76.6 | Confident | 9 Ų | 9 | 91.5 Ų | 91.5 | 5% | 0.047 | 46% | 0.463 | C | S | . | . | S | Bend | trans | -119.9 | 129.6 | 179.9 | -62.5 | 168.9 | 0 | 0 | 0 | 111.1 | R76 L85 L99 M102 K103 D106 | R76-L78 VanDerWaalsContact CD-O 3.3Å; R76-L78 WeakPolarHBondContact CD-O 3.26Å; R76-L78 WeakPolarHBondContact CG-O 3.23Å; R76-L78 PolarHBondContact NE-O 3.42Å; L78-L85 HydrophobicContact CD1-CD2 4.24Å; L78-L99 HydrophobicContact CD1-CD1 3.93Å; L78-L99 HydrophobicContact CD2-CD1 3.6Å; L78-L99 HydrophobicContact CG-CD1 4.44Å; L78-M102 HydrophobicContact CD1-CB 3.63Å; L78-M102 HydrophobicContact CD2-CB 4.31Å; L78-M102 HydrophobicContact CD2-SD 3.92Å; L78-M102 HydrophobicContact CG-CB 3.79Å; L78-M102 HydrophobicContact CG-SD 4.36Å; L78-K103 HydrophobicContact CD1-CB 4.47Å; L78-K103 HydrophobicContact CD1-CG 3.62Å; L78-D106 PolarHBondContact N-OD2 3.45Å |
| 79 | S | 84.7 | Confident | 75.3 | Confident | 68 Ų | 68 | 93 Ų | 93 | 48% | 0.476 | 48% | 0.477 | S | S | . | . | trans | -82.6 | 149.8 | 169.9 | 72.4 | 0 | 0 | 0 | 0 | 110.6 | G81 D82 L85 | S79-G81 PolarHBondContact O-N 2.95Å; S79-G81 VanDerWaalsContact O-N 3.13Å; S79-D82 WeakPolarHBondContact O-CB 3.31Å; S79-D82 PolarHBondContact O-N 3.28Å; S79-D82 PolarHBondContact OG-N 2.88Å; S79-L85 WeakPolarHBondContact O-CD1 3.43Å | ||
| 80 | E | 78.3 | Confident | 74.3 | Confident | 161 Ų | 161 | 94.4 Ų | 94.4 | 75% | 0.752 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -25.6 | 180 | -77.1 | 165.7 | -151.6 | 0 | 0 | 113.6 | R76 | R76-E80 IonicContact CZ-OE1 2.69Å; R76-E80 IonicContact NH1-OE1 3.03Å; R76-E80 PolarHBondContact NH1-OE1 3.27Å; R76-E80 IonicContact NH2-OE1 3.27Å |
| 81 | G | 77.4 | Confident | 73 | Confident | 61 Ų | 61 | 93 Ų | 93 | 63% | 0.629 | 48% | 0.479 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -98.3 | 12.4 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | S79 D83 | S79-G81 PolarHBondContact O-N 2.95Å; S79-G81 VanDerWaalsContact O-N 3.13Å; G81-D83 PolarHBondContact O-N 3.42Å |
| 82 | D | 81.8 | Confident | 71.9 | Confident | 27 Ų | 27 | 91.6 Ų | 91.6 | 14% | 0.144 | 48% | 0.478 | C | S | . | . | trans | -65.3 | 122.4 | -174.6 | -166.2 | -38.1 | 0 | 0 | 0 | 111.5 | S79 R84 L85 | S79-D82 WeakPolarHBondContact O-CB 3.31Å; S79-D82 PolarHBondContact O-N 3.28Å; S79-D82 PolarHBondContact OG-N 2.88Å; D82-R84 PolarHBondContact O-N 3.06Å; D82-R84 VanDerWaalsContact O-N 3.09Å; D82-R84 WeakPolarHBondContact OD1-CB 3.49Å; D82-R84 VanDerWaalsContact OD1-CG 3.24Å; D82-R84 WeakPolarHBondContact OD1-CG 3.29Å; D82-R84 PolarHBondContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.86Å; D82-R84 PolarHBondContact OD1-NE 2.96Å; D82-R84 VanDerWaalsContact OD1-NE 3.1Å; D82-R84 IonicContact OD2-CZ 2.75Å; D82-R84 VanDerWaalsContact OD2-CZ 3.27Å; D82-R84 IonicContact OD2-NE 3.78Å; D82-R84 PolarHBondContact OD2-NE 3.23Å; D82-R84 IonicContact OD2-NH2 2.82Å; D82-R84 PolarHBondContact OD2-NH2 2.86Å; D82-L85 HydrophobicContact CB-CD1 4.1Å; D82-L85 HydrophobicContact CB-CG 4.2Å; D82-L85 VanDerWaalsContact O-CB 3.29Å; D82-L85 WeakPolarHBondContact O-CB 3.44Å; D82-L85 PolarHBondContact O-N 3.21Å | ||
| 83 | D | 76.8 | Confident | 71.2 | Confident | 102 Ų | 102 | 96.8 Ų | 96.8 | 55% | 0.545 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58 | -25.6 | 179.8 | -72 | -38.2 | 0 | 0 | 0 | 113.1 | G81 L85 R86 R87 | G81-D83 PolarHBondContact O-N 3.42Å; D83-L85 PolarHBondContact O-N 2.86Å; D83-R86 PolarHBondContact O-N 3.45Å; D83-R87 PolarHBondContact O-N 3.47Å; D83-R87 VanDerWaalsContact O-N 3.07Å |
| 84 | R | 79.3 | Confident | 70.1 | Confident | 83 Ų | 83 | 95.1 Ų | 95.1 | 31% | 0.313 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -30.2 | 174.9 | -62.2 | 179.2 | -67.7 | 172.5 | 1.8 | 111.9 | D82 L99 | D82-R84 PolarHBondContact O-N 3.06Å; D82-R84 VanDerWaalsContact O-N 3.09Å; D82-R84 WeakPolarHBondContact OD1-CB 3.49Å; D82-R84 VanDerWaalsContact OD1-CG 3.24Å; D82-R84 WeakPolarHBondContact OD1-CG 3.29Å; D82-R84 PolarHBondContact OD1-N 3.13Å; D82-R84 IonicContact OD1-NE 3.86Å; D82-R84 PolarHBondContact OD1-NE 2.96Å; D82-R84 VanDerWaalsContact OD1-NE 3.1Å; D82-R84 IonicContact OD2-CZ 2.75Å; D82-R84 VanDerWaalsContact OD2-CZ 3.27Å; D82-R84 IonicContact OD2-NE 3.78Å; D82-R84 PolarHBondContact OD2-NE 3.23Å; D82-R84 IonicContact OD2-NH2 2.82Å; D82-R84 PolarHBondContact OD2-NH2 2.86Å; R84-L99 HydrophobicContact CB-CD1 4.21Å |
| 85 | L | 72.4 | Confident | 69.3 | Low | 58 Ų | 58 | 98 Ų | 98 | 30% | 0.304 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -73 | -35 | 175.3 | -64 | 172.3 | 0 | 0 | 0 | 111.7 | L78 S79 D82 D83 L99 | L78-L85 HydrophobicContact CD1-CD2 4.24Å; S79-L85 WeakPolarHBondContact O-CD1 3.43Å; D82-L85 HydrophobicContact CB-CD1 4.1Å; D82-L85 HydrophobicContact CB-CG 4.2Å; D82-L85 VanDerWaalsContact O-CB 3.29Å; D82-L85 WeakPolarHBondContact O-CB 3.44Å; D82-L85 PolarHBondContact O-N 3.21Å; D83-L85 PolarHBondContact O-N 2.86Å; L85-L99 HydrophobicContact CD2-CD1 4.18Å; L85-L99 HydrophobicContact CD2-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CG 4.36Å |
| 86 | R | 68.3 | Low | 69 | Low | 206 Ų | 206 | 96.7 Ų | 96.7 | 78% | 0.777 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -76.6 | -29.8 | -179.1 | -58 | -173.8 | 74.5 | -173.3 | 4.2 | 112.7 | D83 | D83-R86 PolarHBondContact O-N 3.45Å |
| 87 | R | 62.7 | Low | 69 | Low | 158 Ų | 158 | 94.5 Ų | 94.5 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -84 | -12.1 | -176.1 | -157.4 | 174.2 | -64.5 | -138.3 | 0.5 | 114.2 | D83 S89 Q90 | D83-R87 PolarHBondContact O-N 3.47Å; D83-R87 VanDerWaalsContact O-N 3.07Å; R87-S89 PolarHBondContact O-N 3.02Å; R87-S89 VanDerWaalsContact O-N 3.15Å; R87-Q90 PolarHBondContact O-N 3.01Å |
| 88 | G | 56.8 | Low | 69 | Low | 39 Ų | 39 | 95.9 Ų | 95.9 | 40% | 0.402 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.6 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 89 | S | 54.8 | Low | 69.1 | Low | 115 Ų | 115 | 95.6 Ų | 95.6 | 80% | 0.804 | 51% | 0.507 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.5 | -15.5 | -179.1 | -175.7 | 0 | 0 | 0 | 0 | 114.7 | R87 | R87-S89 PolarHBondContact O-N 3.02Å; R87-S89 VanDerWaalsContact O-N 3.15Å |
| 90 | Q | 53.8 | Low | 69.3 | Low | 188 Ų | 188 | 94 Ų | 94 | 88% | 0.879 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | -14.9 | -169.7 | -76.3 | -170.2 | -4.7 | 0 | 0 | 115.6 | R87 | R87-Q90 PolarHBondContact O-N 3.01Š|
| 91 | M | 48.2 | Very low | 69.9 | Low | 118 Ų | 118 | 89.2 Ų | 89.2 | 58% | 0.581 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -127 | 104.5 | -175.1 | -159.2 | 78 | 88 | 0 | 0 | 110.6 | Y96 | M91-Y96 WeakPolarHBondContact O-CE2 3.36Š|
| 92 | S | 53.1 | Low | 70.5 | Confident | 77 Ų | 77 | 88.6 Ų | 88.6 | 54% | 0.538 | 45% | 0.447 | S | S | . | . | trans | 46.2 | 97.5 | 160.3 | -42.2 | 0 | 0 | 0 | 0 | 116.6 | C94 C95 | S92-C94 PolarHBondContact O-N 3.44Å; S92-C95 PolarHBondContact O-N 3.27Å | ||
| 93 | Q | 55.7 | Low | 70.9 | Confident | 157 Ų | 157 | 90.2 Ų | 90.2 | 73% | 0.734 | 45% | 0.453 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -49.9 | -18.7 | 175.9 | -159 | 157.1 | 10.6 | 0 | 0 | 114.9 | E171 | Q93-E171 PolarHBondContact NE2-OE2 3.29Š|
| 94 | C | 50.8 | Low | 71.5 | Confident | 111 Ų | 111 | 85.4 Ų | 85.4 | 75% | 0.75 | 43% | 0.427 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.2 | -18.8 | 176.7 | -78.7 | 0 | 0 | 0 | 0 | 116.5 | S92 | S92-C94 PolarHBondContact O-N 3.44Š|
| 95 | C | 60.4 | Low | 72 | Confident | 85 Ų | 85 | 82.4 Ų | 82.4 | 57% | 0.574 | 42% | 0.417 | S | S | * | . | S | Bend | trans | -93.1 | -2.7 | -165.1 | -86.6 | 0 | 0 | 0 | 0 | 116.2 | S92 | S92-C95 PolarHBondContact O-N 3.27Š|
| 96 | Y | 73.5 | Confident | 72.7 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 18% | 0.184 | 41% | 0.406 | C | S | . | . | trans | -124.4 | 33 | -170.3 | -60.9 | -76 | 0 | 0 | 0 | 114.7 | M91 Y98 L99 Y100 | M91-Y96 WeakPolarHBondContact O-CE2 3.36Å; Y96-Y98 VanDerWaalsContact C-N 3.25Å; Y96-Y98 AromaticContact CD1-CE1 3.9Å; Y96-Y98 HydrophobicContact CD1-CE1 3.9Å; Y96-Y98 PolarHBondContact O-N 2.95Å; Y96-L99 VanDerWaalsContact O-CB 3.24Å; Y96-L99 WeakPolarHBondContact O-CB 3.41Å; Y96-L99 PolarHBondContact O-N 2.82Å; Y96-Y100 WeakPolarHBondContact O-CD2 3.34Å; Y96-Y100 PolarHBondContact O-N 3.46Å | ||
| 97 | N | 85.2 | Confident | 73.7 | Confident | 51 Ų | 51 | 71.2 Ų | 71.2 | 27% | 0.273 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -56.2 | -39.5 | 175 | -69.9 | -22.7 | 0 | 0 | 0 | 112.6 | L99 Y100 R101 F169 | N97-L99 PolarHBondContact O-N 3.09Å; N97-Y100 PolarHBondContact O-N 2.82Å; N97-R101 WeakPolarHBondContact O-CG 3.46Å; N97-R101 PolarHBondContact O-N 3.11Å; N97-R101 VanDerWaalsContact O-N 3.12Å; N97-F169 CarbonylContact C-O 3.46Å; N97-F169 WeakPolarHBondContact CA-O 3.36Å; N97-F169 WeakPolarHBondContact CB-O 3.15Å |
| 98 | Y | 87.1 | Confident | 74.8 | Confident | 92 Ų | 92 | 64 Ų | 64 | 36% | 0.361 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.6 | -29.5 | 176.9 | 76 | -91.4 | 0 | 0 | 0 | 112.7 | Y96 R101 M102 | Y96-Y98 VanDerWaalsContact C-N 3.25Å; Y96-Y98 AromaticContact CD1-CE1 3.9Å; Y96-Y98 HydrophobicContact CD1-CE1 3.9Å; Y96-Y98 PolarHBondContact O-N 2.95Å; Y98-R101 PolarHBondContact O-N 3.05Å; Y98-M102 HydrophobicContact CD2-CE 3.84Å; Y98-M102 HydrophobicContact CD2-SD 3.95Å; Y98-M102 HydrophobicContact CE2-CE 4.41Å; Y98-M102 HydrophobicContact CE2-SD 4.31Å; Y98-M102 VanDerWaalsContact O-CG 3.29Å; Y98-M102 WeakPolarHBondContact O-CG 2.82Å; Y98-M102 PolarHBondContact O-N 3.4Å |
| 99 | L | 89.4 | Confident | 75.9 | Confident | 4 Ų | 4 | 66.8 Ų | 66.8 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -69.9 | -41.5 | 179.9 | -169.2 | 70.2 | 0 | 0 | 0 | 110.4 | L78 R84 L85 Y96 N97 R101 M102 K103 | L78-L99 HydrophobicContact CD1-CD1 3.93Å; L78-L99 HydrophobicContact CD2-CD1 3.6Å; L78-L99 HydrophobicContact CG-CD1 4.44Å; R84-L99 HydrophobicContact CB-CD1 4.21Å; L85-L99 HydrophobicContact CD2-CD1 4.18Å; L85-L99 HydrophobicContact CD2-CD2 4.27Å; L85-L99 HydrophobicContact CD2-CG 4.36Å; Y96-L99 VanDerWaalsContact O-CB 3.24Å; Y96-L99 WeakPolarHBondContact O-CB 3.41Å; Y96-L99 PolarHBondContact O-N 2.82Å; N97-L99 PolarHBondContact O-N 3.09Å; L99-R101 VanDerWaalsContact C-N 3.34Å; L99-M102 PolarHBondContact O-N 3.13Å; L99-K103 WeakPolarHBondContact O-CG 3.48Å; L99-K103 PolarHBondContact O-N 3.34Å |
| 100 | Y | 88.8 | Confident | 77.2 | Confident | 34 Ų | 34 | 66.1 Ų | 66.1 | 13% | 0.133 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 174.9 | -68.2 | -68 | 0 | 0 | 0 | 112.3 | Y96 N97 K103 A104 G170 E171 F174 | Y96-Y100 WeakPolarHBondContact O-CD2 3.34Å; Y96-Y100 PolarHBondContact O-N 3.46Å; N97-Y100 PolarHBondContact O-N 2.82Å; Y100-K103 HydrophobicContact CD1-CD 4.24Å; Y100-K103 PolarHBondContact O-N 3.02Å; Y100-A104 WeakPolarHBondContact O-CB 3.3Å; Y100-A104 PolarHBondContact O-N 3.44Å; Y100-G170 WeakPolarHBondContact CB-O 3.33Å; Y100-E171 HydrophobicContact CD1-CB 4.41Å; Y100-E171 HydrophobicContact CE1-CB 3.77Å; Y100-E171 HydrophobicContact CE1-CG 3.9Å; Y100-E171 HydrophobicContact CE2-CB 4.02Å; Y100-F174 HydrophobicContact CD1-CB 3.93Å; Y100-F174 HydrophobicContact CD1-CD1 4.05Å; Y100-F174 HydrophobicContact CD1-CG 4.06Å; Y100-F174 HydrophobicContact CG-CB 4.37Å |
| 101 | R | 91.4 | Very high | 78.3 | Confident | 60 Ų | 60 | 58 Ų | 58 | 23% | 0.226 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 171.1 | -64.9 | 178.4 | 177.3 | -152.4 | 0.2 | 112.2 | N97 Y98 L99 A104 L105 A162 G165 G167 F169 | N97-R101 WeakPolarHBondContact O-CG 3.46Å; N97-R101 PolarHBondContact O-N 3.11Å; N97-R101 VanDerWaalsContact O-N 3.12Å; Y98-R101 PolarHBondContact O-N 3.05Å; L99-R101 VanDerWaalsContact C-N 3.34Å; R101-A104 PolarHBondContact O-N 2.87Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 2.76Å; R101-A162 WeakPolarHBondContact CD-O 3.34Å; R101-G165 VanDerWaalsContact CZ-O 3.23Å; R101-G165 PolarHBondContact NH1-O 2.96Å; R101-G165 PolarHBondContact NH2-O 2.99Å; R101-G167 PolarHBondContact NH2-O 2.8Å; R101-F169 HydrophobicContact CB-CD1 4.45Å; R101-F169 HydrophobicContact CG-CB 3.74Å; R101-F169 HydrophobicContact CG-CD1 3.72Å; R101-F169 HydrophobicContact CG-CG 3.9Å |
| 102 | M | 90.3 | Very high | 79.3 | Confident | 49 Ų | 49 | 55.4 Ų | 55.4 | 24% | 0.241 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -62.4 | -44.1 | 176.2 | -69.7 | 173.8 | 177.9 | 0 | 0 | 111.3 | L77 L78 Y98 L99 A104 L105 D106 | L77-M102 HydrophobicContact CB-CB 3.97Å; L77-M102 HydrophobicContact CB-CG 4.03Å; L77-M102 HydrophobicContact CD1-CB 4.14Å; L77-M102 HydrophobicContact CD1-CG 4.02Å; L78-M102 HydrophobicContact CD1-CB 3.63Å; L78-M102 HydrophobicContact CD2-CB 4.31Å; L78-M102 HydrophobicContact CD2-SD 3.92Å; L78-M102 HydrophobicContact CG-CB 3.79Å; L78-M102 HydrophobicContact CG-SD 4.36Å; Y98-M102 HydrophobicContact CD2-CE 3.84Å; Y98-M102 HydrophobicContact CD2-SD 3.95Å; Y98-M102 HydrophobicContact CE2-CE 4.41Å; Y98-M102 HydrophobicContact CE2-SD 4.31Å; Y98-M102 VanDerWaalsContact O-CG 3.29Å; Y98-M102 WeakPolarHBondContact O-CG 2.82Å; Y98-M102 PolarHBondContact O-N 3.4Å; L99-M102 PolarHBondContact O-N 3.13Å; M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A104 PolarHBondContact O-N 2.95Å; M102-L105 PolarHBondContact O-N 3.46Å; M102-D106 PolarHBondContact O-N 3.17Å |
| 103 | K | 89.4 | Confident | 80.1 | Confident | 61 Ų | 61 | 52.6 Ų | 52.6 | 27% | 0.265 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59 | -41.9 | 174.5 | -73.9 | 178.2 | 178.2 | 179.7 | 0 | 112.4 | L78 L99 Y100 L105 D106 A107 F174 | L78-K103 HydrophobicContact CD1-CB 4.47Å; L78-K103 HydrophobicContact CD1-CG 3.62Å; L99-K103 WeakPolarHBondContact O-CG 3.48Å; L99-K103 PolarHBondContact O-N 3.34Å; Y100-K103 HydrophobicContact CD1-CD 4.24Å; Y100-K103 PolarHBondContact O-N 3.02Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å; K103-D106 PolarHBondContact O-N 3.09Å; K103-A107 VanDerWaalsContact O-CB 3.23Å; K103-A107 WeakPolarHBondContact O-CB 3.14Å; K103-A107 PolarHBondContact O-N 3.3Å; K103-F174 HydrophobicContact CB-CD2 4.06Å; K103-F174 HydrophobicContact CB-CE1 4.49Å; K103-F174 HydrophobicContact CB-CE2 3.55Å; K103-F174 HydrophobicContact CB-CZ 3.79Å; K103-F174 HydrophobicContact CD-CE1 4.35Å; K103-F174 HydrophobicContact CD-CZ 4.36Å |
| 104 | A | 91.1 | Very high | 80.4 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y100 R101 M102 A107 A162 F169 F174 Y177 | Y100-A104 WeakPolarHBondContact O-CB 3.3Å; Y100-A104 PolarHBondContact O-N 3.44Å; R101-A104 PolarHBondContact O-N 2.87Å; M102-A104 VanDerWaalsContact C-N 3.34Å; M102-A104 PolarHBondContact O-N 2.95Å; A104-A107 PolarHBondContact O-N 2.86Å; A104-A162 HydrophobicContact CB-CB 3.9Å; A104-F169 HydrophobicContact CB-CE1 3.93Å; A104-F169 HydrophobicContact CB-CZ 3.97Å; A104-F174 HydrophobicContact CB-CD2 4.03Å; A104-F174 HydrophobicContact CB-CE2 4.41Å; A104-Y177 HydrophobicContact CB-CD1 3.88Å; A104-Y177 HydrophobicContact CB-CE1 3.93Å; A104-Y177 WeakPolarHBondContact O-CE1 3.34Å |
| 105 | L | 88.4 | Confident | 80.7 | Confident | 20 Ų | 20 | 43 Ų | 43 | 11% | 0.105 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 179.3 | -64.9 | 176.2 | 0 | 0 | 0 | 112.3 | L77 R101 M102 K103 A107 Y159 R163 | L77-L105 HydrophobicContact CD1-CB 3.96Å; L77-L105 HydrophobicContact CD1-CD1 3.65Å; L77-L105 HydrophobicContact CD1-CG 4.42Å; R101-L105 WeakPolarHBondContact O-CG 3.5Å; R101-L105 PolarHBondContact O-N 2.76Å; M102-L105 PolarHBondContact O-N 3.46Å; K103-L105 VanDerWaalsContact C-N 3.33Å; K103-L105 PolarHBondContact O-N 3.41Å; L105-A107 VanDerWaalsContact C-N 3.33Å; L105-Y159 HydrophobicContact CD2-CD2 4.17Å; L105-Y159 HydrophobicContact CD2-CE2 3.65Å; L105-R163 HydrophobicContact CD2-CB 4.23Å; L105-R163 HydrophobicContact CD2-CG 4.36Å |
| 106 | D | 88.4 | Confident | 80.3 | Confident | 12 Ų | 12 | 44 Ų | 44 | 6% | 0.064 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.2 | -33.3 | 176.8 | -73.5 | -26.1 | 0 | 0 | 0 | 111.6 | R76 L77 L78 M102 K103 I108 R109 D110 | R76-D106 WeakPolarHBondContact CG-OD1 3.34Å; L77-D106 PolarHBondContact N-OD1 2.75Å; L77-D106 PolarHBondContact N-OD2 3.47Å; L78-D106 PolarHBondContact N-OD2 3.45Å; M102-D106 PolarHBondContact O-N 3.17Å; K103-D106 PolarHBondContact O-N 3.09Å; D106-I108 PolarHBondContact O-N 3.33Å; D106-R109 WeakPolarHBondContact O-CB 3.39Å; D106-R109 PolarHBondContact O-N 2.9Å; D106-D110 PolarHBondContact O-N 3.38Å; D106-D110 VanDerWaalsContact O-N 3.14Å |
| 107 | A | 88.6 | Confident | 79.2 | Confident | 16 Ų | 16 | 49.6 Ų | 49.6 | 13% | 0.132 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -60 | -31.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | K103 A104 L105 R109 D110 S111 L181 | K103-A107 VanDerWaalsContact O-CB 3.23Å; K103-A107 WeakPolarHBondContact O-CB 3.14Å; K103-A107 PolarHBondContact O-N 3.3Å; A104-A107 PolarHBondContact O-N 2.86Å; L105-A107 VanDerWaalsContact C-N 3.33Å; A107-R109 VanDerWaalsContact C-N 3.3Å; A107-R109 PolarHBondContact O-N 2.8Å; A107-D110 PolarHBondContact O-N 3.3Å; A107-S111 WeakPolarHBondContact O-CB 3.24Å; A107-S111 PolarHBondContact O-N 2.93Å; A107-L181 HydrophobicContact CB-CD2 4.22Å |
| 108 | I | 85.6 | Confident | 77.4 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 3% | 0.031 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.7 | -38.6 | 176.9 | -52.5 | 161.3 | 0 | 0 | 0 | 110.5 | D106 D110 S111 F125 F130 Y159 Y177 L181 | D106-I108 PolarHBondContact O-N 3.33Å; I108-D110 VanDerWaalsContact C-N 3.35Å; I108-S111 PolarHBondContact O-N 2.97Å; I108-S111 PolarHBondContact O-OG 3.24Å; I108-F125 HydrophobicContact CB-CZ 3.77Å; I108-F125 HydrophobicContact CD1-CZ 4.4Å; I108-F125 HydrophobicContact CG2-CE2 3.72Å; I108-F125 HydrophobicContact CG2-CZ 3.39Å; I108-F130 HydrophobicContact CD1-CD1 3.8Å; I108-F130 HydrophobicContact CD1-CE1 3.89Å; I108-F130 HydrophobicContact CD1-CG 4.29Å; I108-F130 HydrophobicContact CD1-CZ 4.46Å; I108-F130 HydrophobicContact CG1-CE1 4.26Å; I108-F130 HydrophobicContact CG1-CZ 4.37Å; I108-F130 HydrophobicContact CG2-CD1 4.37Å; I108-F130 HydrophobicContact CG2-CD2 3.55Å; I108-F130 HydrophobicContact CG2-CE1 4.39Å; I108-F130 HydrophobicContact CG2-CE2 3.59Å; I108-F130 HydrophobicContact CG2-CG 3.95Å; I108-F130 HydrophobicContact CG2-CZ 4.02Å; I108-Y159 HydrophobicContact CD1-CD2 3.55Å; I108-Y159 HydrophobicContact CD1-CE2 3.46Å; I108-Y159 VanDerWaalsContact CD1-CE2 3.46Å; I108-Y177 VanDerWaalsContact CD1-OH 3.24Å; I108-Y177 WeakPolarHBondContact CD1-OH 3.43Å; I108-Y177 HydrophobicContact CG1-CE1 4.48Å; I108-Y177 WeakPolarHBondContact CG1-OH 3.47Å; I108-L181 HydrophobicContact CG1-CD1 4.27Å |
| 109 | R | 79.3 | Confident | 75.4 | Confident | 99 Ų | 99 | 49.4 Ų | 49.4 | 37% | 0.374 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.9 | -42.4 | 175.3 | 177.9 | 178.7 | -64.4 | -152.6 | -3.2 | 111 | E74 D106 A107 S111 | E74-R109 PolarHBondContact O-NH2 2.96Å; D106-R109 WeakPolarHBondContact O-CB 3.39Å; D106-R109 PolarHBondContact O-N 2.9Å; A107-R109 VanDerWaalsContact C-N 3.3Å; A107-R109 PolarHBondContact O-N 2.8Å; R109-S111 VanDerWaalsContact C-N 3.26Å; R109-S111 PolarHBondContact O-N 3.1Å |
| 110 | D | 82.1 | Confident | 73.4 | Confident | 101 Ų | 101 | 52.4 Ų | 52.4 | 54% | 0.54 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -73.1 | -20.5 | -177.5 | -63.7 | -18 | 0 | 0 | 0 | 112.2 | R76 D106 A107 I108 G112 | R76-D110 IonicContact NH2-OD1 3.68Å; R76-D110 IonicContact NH2-OD2 3.59Å; R76-D110 PolarHBondContact NH2-OD2 3.09Å; D106-D110 PolarHBondContact O-N 3.38Å; D106-D110 VanDerWaalsContact O-N 3.14Å; A107-D110 PolarHBondContact O-N 3.3Å; I108-D110 VanDerWaalsContact C-N 3.35Å; D110-G112 PolarHBondContact O-N 3.22Å |
| 111 | S | 78 | Confident | 71.3 | Confident | 18 Ų | 18 | 54.1 Ų | 54.1 | 13% | 0.126 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -15.6 | 179.9 | 73.4 | 0 | 0 | 0 | 0 | 114.7 | A107 I108 R109 I113 | A107-S111 WeakPolarHBondContact O-CB 3.24Å; A107-S111 PolarHBondContact O-N 2.93Å; I108-S111 PolarHBondContact O-N 2.97Å; I108-S111 PolarHBondContact O-OG 3.24Å; R109-S111 VanDerWaalsContact C-N 3.26Å; R109-S111 PolarHBondContact O-N 3.1Å; S111-I113 PolarHBondContact O-N 3.39Å; S111-I113 VanDerWaalsContact O-N 3.16Å; S111-I113 WeakPolarHBondContact OG-CG1 3.34Å |
| 112 | G | 67.8 | Low | 69.2 | Low | 62 Ų | 62 | 56.6 Ų | 56.6 | 64% | 0.639 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.2 | 17.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | D110 P114 | D110-G112 PolarHBondContact O-N 3.22Å; G112-P114 WeakPolarHBondContact O-CD 3.43Å |
| 113 | I | 71.1 | Confident | 67 | Low | 19 Ų | 19 | 58 Ų | 58 | 10% | 0.097 | 35% | 0.346 | C | S | . | . | trans | -61.6 | 124.6 | 172.9 | -60.4 | 170.8 | 0 | 0 | 0 | 107.5 | S111 V115 W133 L184 V185 | S111-I113 PolarHBondContact O-N 3.39Å; S111-I113 VanDerWaalsContact O-N 3.16Å; S111-I113 WeakPolarHBondContact OG-CG1 3.34Å; I113-V115 HydrophobicContact CB-CG2 3.94Å; I113-V115 HydrophobicContact CG2-CG2 3.51Å; I113-V115 PolarHBondContact O-N 3.4Å; I113-W133 HydrophobicContact CD1-CH2 4.28Å; I113-W133 HydrophobicContact CD1-CZ3 4.34Å; I113-W133 HydrophobicContact CG2-CH2 3.62Å; I113-W133 HydrophobicContact CG2-CZ2 3.76Å; I113-W133 HydrophobicContact CG2-CZ3 4.2Å; I113-L184 HydrophobicContact CD1-CD2 4.43Å; I113-V185 HydrophobicContact CD1-CG2 3.91Å; I113-V185 HydrophobicContact CG1-CG2 3.6Å | ||
| 114 | P | 61.9 | Low | 65 | Low | 55 Ų | 55 | 55.9 Ų | 55.9 | 36% | 0.357 | 34% | 0.34 | S | S | . | . | trans | -74.2 | 60.4 | 179.3 | 30 | -33.5 | 0 | 0 | 0 | 111.2 | G112 Q116 E117 | G112-P114 WeakPolarHBondContact O-CD 3.43Å; P114-Q116 PolarHBondContact O-N 2.69Å; P114-E117 PolarHBondContact O-N 3.03Å | ||
| 115 | V | 56 | Low | 63.3 | Low | 10 Ų | 10 | 57.7 Ų | 57.7 | 6% | 0.061 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -23.4 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 110.7 | I113 I118 S119 W133 | I113-V115 HydrophobicContact CB-CG2 3.94Å; I113-V115 HydrophobicContact CG2-CG2 3.51Å; I113-V115 PolarHBondContact O-N 3.4Å; V115-I118 PolarHBondContact O-N 3.2Å; V115-S119 PolarHBondContact O-N 3.36Å; V115-S119 PolarHBondContact O-OG 3.1Å; V115-W133 HydrophobicContact CG1-CB 4.16Å; V115-W133 HydrophobicContact CG1-CG 4.14Å; V115-W133 HydrophobicContact CG2-CD2 4.32Å; V115-W133 HydrophobicContact CG2-CE3 4.45Å |
| 116 | Q | 53.3 | Low | 61.8 | Low | 107 Ų | 107 | 58.3 Ų | 58.3 | 50% | 0.5 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -74.8 | -27.3 | -175.9 | -159.2 | 155.2 | 59.6 | 0 | 0 | 113.6 | P114 P122 | P114-Q116 PolarHBondContact O-N 2.69Å; Q116-P122 HydrophobicContact CG-CB 4.5Å; Q116-P122 VanDerWaalsContact NE2-C 3.3Å; Q116-P122 PolarHBondContact NE2-O 3.38Å |
| 117 | E | 49.9 | Very low | 60.1 | Low | 165 Ų | 165 | 58 Ų | 58 | 77% | 0.771 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -76.7 | -28.7 | 174.6 | -75.9 | -179.3 | 161.3 | 0 | 0 | 112.1 | P114 | P114-E117 PolarHBondContact O-N 3.03Å |
| 118 | I | 46.8 | Very low | 58.6 | Low | 92 Ų | 92 | 65.9 Ų | 65.9 | 47% | 0.472 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -85.4 | -29.2 | -176.1 | -58.3 | 167.4 | 0 | 0 | 0 | 111.2 | V115 G120 | V115-I118 PolarHBondContact O-N 3.2Å; I118-G120 VanDerWaalsContact C-N 3.33Å; I118-G120 PolarHBondContact O-N 2.93Å |
| 119 | S | 45.5 | Very low | 57.9 | Low | 47 Ų | 47 | 66.5 Ų | 66.5 | 33% | 0.329 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -84.7 | 0.1 | -179.5 | 73 | 0 | 0 | 0 | 0 | 114.8 | V115 T121 | V115-S119 PolarHBondContact O-N 3.36Å; V115-S119 PolarHBondContact O-OG 3.1Å; S119-T121 PolarHBondContact O-N 2.91Å; S119-T121 PolarHBondContact O-OG1 3.09Å |
| 120 | G | 47.3 | Very low | 57.8 | Low | 66 Ų | 66 | 61.8 Ų | 61.8 | 68% | 0.68 | 37% | 0.365 | S | S | * | . | S | Bend | trans | 63.9 | 0.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | I118 | I118-G120 VanDerWaalsContact C-N 3.33Å; I118-G120 PolarHBondContact O-N 2.93Å |
| 121 | T | 46.1 | Very low | 57.9 | Low | 70 Ų | 70 | 62 Ų | 62 | 43% | 0.429 | 36% | 0.358 | S | S | . | . | trans | -133.4 | 119.7 | -179.8 | 52.6 | 0 | 0 | 0 | 0 | 111.2 | S119 S123 | S119-T121 PolarHBondContact O-N 2.91Å; S119-T121 PolarHBondContact O-OG1 3.09Å; T121-S123 PolarHBondContact O-N 2.9Å | ||
| 122 | P | 45.9 | Very low | 58 | Low | 112 Ų | 112 | 65.5 Ų | 65.5 | 73% | 0.727 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.8 | 11.6 | -172.4 | 26.9 | -33.2 | 0 | 0 | 0 | 115.1 | Q116 | Q116-P122 HydrophobicContact CG-CB 4.5Å; Q116-P122 VanDerWaalsContact NE2-C 3.3Å; Q116-P122 PolarHBondContact NE2-O 3.38Å |
| 123 | S | 45 | Very low | 58.6 | Low | 79 Ų | 79 | 63.3 Ų | 63.3 | 55% | 0.552 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -130.1 | 2.8 | -173.3 | 82.2 | 0 | 0 | 0 | 0 | 116.4 | C72 T121 | C72-S123 VanDerWaalsContact O-O 3.07Å; T121-S123 PolarHBondContact O-N 2.9Å |
| 124 | A | 48.1 | Very low | 59.2 | Low | 17 Ų | 17 | 62.4 Ų | 62.4 | 14% | 0.14 | 34% | 0.344 | C | S | . | . | trans | -117.4 | 63.9 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | C72 T126 S129 | C72-A124 HydrophobicContact CB-CB 4.02Å; C72-A124 WeakPolarHBondContact O-CA 3.29Å; A124-T126 PolarHBondContact O-N 3.43Å; A124-T126 VanDerWaalsContact O-N 3.09Å; A124-S129 VanDerWaalsContact O-CB 3.27Å; A124-S129 WeakPolarHBondContact O-CB 3.46Å; A124-S129 PolarHBondContact O-OG 3.28Å | ||
| 125 | F | 53.6 | Low | 60.3 | Low | 39 Ų | 39 | 61.9 Ų | 61.9 | 17% | 0.171 | 34% | 0.339 | C | S | . | . | trans | -81.3 | 70.1 | 154.6 | -164.7 | -94.2 | 0 | 0 | 0 | 107.9 | E74 I108 F130 | E74-F125 WeakPolarHBondContact CB-O 3.46Å; I108-F125 HydrophobicContact CB-CZ 3.77Å; I108-F125 HydrophobicContact CD1-CZ 4.4Å; I108-F125 HydrophobicContact CG2-CE2 3.72Å; I108-F125 HydrophobicContact CG2-CZ 3.39Å; F125-F130 HydrophobicContact CE2-CB 4.19Å; F125-F130 HydrophobicContact CZ-CB 4.31Å | ||
| 126 | T | 56.9 | Low | 61.5 | Low | 32 Ų | 32 | 66.9 Ų | 66.9 | 20% | 0.196 | 36% | 0.362 | C | S | . | . | trans | -90.1 | 150.5 | 159.2 | 63 | 0 | 0 | 0 | 0 | 107 | C72 A124 R128 S129 | C72-T126 VanDerWaalsContact C-CG2 3.42Å; C72-T126 VanDerWaalsContact CA-CG2 3.47Å; C72-T126 HydrophobicContact CB-CG2 4.46Å; C72-T126 VanDerWaalsContact O-CG2 3.24Å; C72-T126 WeakPolarHBondContact O-CG2 3.41Å; A124-T126 PolarHBondContact O-N 3.43Å; A124-T126 VanDerWaalsContact O-N 3.09Å; T126-R128 PolarHBondContact O-N 3.2Å; T126-S129 PolarHBondContact O-N 3.47Å; T126-S129 PolarHBondContact O-OG 3.37Å | ||
| 127 | G | 53.9 | Low | 62.7 | Low | 6 Ų | 6 | 63.1 Ų | 63.1 | 6% | 0.062 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.7 | -12.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 117.8 | E74 Y159 R163 | E74-G127 PolarHBondContact OE2-N 3.3Å; G127-Y159 VanDerWaalsContact C-OH 3.24Å; G127-Y159 WeakPolarHBondContact CA-OH 3.44Å; G127-Y159 PolarHBondContact O-OH 3.23Å; G127-R163 VanDerWaalsContact CA-CZ 3.45Å |
| 128 | R | 57.3 | Low | 64.1 | Low | 182 Ų | 182 | 60.6 Ų | 60.6 | 69% | 0.687 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -72.3 | -32.3 | 168.9 | -79.7 | -175 | -108.4 | -141.1 | -2.2 | 112.7 | T126 N132 | T126-R128 PolarHBondContact O-N 3.2Å; R128-N132 WeakPolarHBondContact O-CB 3.38Å; R128-N132 PolarHBondContact O-N 2.89Å; R128-N132 VanDerWaalsContact O-N 3.09Å; R128-N132 PolarHBondContact O-ND2 2.84Å; R128-N132 VanDerWaalsContact O-ND2 3.17Å; R128-N132 PolarHBondContact O-OD1 2.84Å |
| 129 | S | 69.3 | Low | 65.6 | Low | 19 Ų | 19 | 61 Ų | 61 | 13% | 0.133 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -71.6 | -41 | -179.4 | 64.5 | 0 | 0 | 0 | 0 | 112.6 | A124 T126 W133 | A124-S129 VanDerWaalsContact O-CB 3.27Å; A124-S129 WeakPolarHBondContact O-CB 3.46Å; A124-S129 PolarHBondContact O-OG 3.28Å; T126-S129 PolarHBondContact O-N 3.47Å; T126-S129 PolarHBondContact O-OG 3.37Å; S129-W133 WeakPolarHBondContact O-CB 3.29Å; S129-W133 PolarHBondContact O-N 2.98Å |
| 130 | F | 78.1 | Confident | 67 | Low | 0 Ų | 0 | 60.8 Ų | 60.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -66.3 | -46.8 | 178.7 | -177.1 | -112.4 | 0 | 0 | 0 | 112.8 | I108 F125 W133 L134 Y159 L181 | I108-F130 HydrophobicContact CD1-CD1 3.8Å; I108-F130 HydrophobicContact CD1-CE1 3.89Å; I108-F130 HydrophobicContact CD1-CG 4.29Å; I108-F130 HydrophobicContact CD1-CZ 4.46Å; I108-F130 HydrophobicContact CG1-CE1 4.26Å; I108-F130 HydrophobicContact CG1-CZ 4.37Å; I108-F130 HydrophobicContact CG2-CD1 4.37Å; I108-F130 HydrophobicContact CG2-CD2 3.55Å; I108-F130 HydrophobicContact CG2-CE1 4.39Å; I108-F130 HydrophobicContact CG2-CE2 3.59Å; I108-F130 HydrophobicContact CG2-CG 3.95Å; I108-F130 HydrophobicContact CG2-CZ 4.02Å; F125-F130 HydrophobicContact CE2-CB 4.19Å; F125-F130 HydrophobicContact CZ-CB 4.31Å; F130-W133 AromaticContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CZ3 4.34Å; F130-W133 AromaticContact CE2-CE3 3.9Å; F130-W133 HydrophobicContact CE2-CE3 3.9Å; F130-W133 AromaticContact CE2-CZ3 3.82Å; F130-W133 HydrophobicContact CE2-CZ3 3.82Å; F130-W133 WeakPolarHBondContact O-CB 3.42Å; F130-W133 PolarHBondContact O-N 3.21Å; F130-L134 HydrophobicContact CD1-CD1 3.97Å; F130-L134 HydrophobicContact CD1-CG 4.5Å; F130-L134 HydrophobicContact CE1-CD1 3.4Å; F130-L134 VanDerWaalsContact CE1-CD1 3.4Å; F130-L134 HydrophobicContact CE1-CG 4.12Å; F130-L134 HydrophobicContact CE2-CD1 4.36Å; F130-L134 HydrophobicContact CE2-CD2 4.39Å; F130-L134 HydrophobicContact CE2-CG 4.23Å; F130-L134 HydrophobicContact CZ-CD1 3.64Å; F130-L134 HydrophobicContact CZ-CD2 4.19Å; F130-L134 HydrophobicContact CZ-CG 3.99Å; F130-L134 WeakPolarHBondContact O-CG 3.36Å; F130-L134 PolarHBondContact O-N 3.28Å; F130-Y159 HydrophobicContact CD1-CD1 4.5Å; F130-Y159 AromaticContact CD1-CD2 3.77Å; F130-Y159 HydrophobicContact CD1-CD2 3.77Å; F130-Y159 AromaticContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CG 4.07Å; F130-Y159 HydrophobicContact CE1-CD2 4.04Å; F130-Y159 HydrophobicContact CE1-CG 4.27Å; F130-L181 HydrophobicContact CZ-CD1 4.1Å |
| 131 | R | 83.6 | Confident | 67.4 | Low | 105 Ų | 105 | 66 Ų | 66 | 40% | 0.396 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 176.8 | -174.1 | -178.3 | 179.1 | -76.6 | -0.5 | 111.6 | W133 L134 V135 L156 Y159 D160 | R131-W133 VanDerWaalsContact C-N 3.29Å; R131-W133 PolarHBondContact O-N 2.88Å; R131-L134 PolarHBondContact O-N 3.28Å; R131-V135 VanDerWaalsContact O-CG2 3.29Å; R131-V135 WeakPolarHBondContact O-CG2 2.89Å; R131-V135 PolarHBondContact O-N 3.28Å; R131-L156 HydrophobicContact CG-CD2 3.83Å; R131-Y159 HydrophobicContact CB-CD1 4.45Å; R131-Y159 HydrophobicContact CB-CE1 4.15Å; R131-D160 IonicContact NE-OD1 3.11Å; R131-D160 IonicContact NE-OD2 3.45Å |
| 132 | N | 81.4 | Confident | 68.1 | Low | 92 Ų | 92 | 63.9 Ų | 63.9 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 177.8 | -70.5 | -8.9 | 0 | 0 | 0 | 111.1 | R128 V135 E136 | R128-N132 WeakPolarHBondContact O-CB 3.38Å; R128-N132 PolarHBondContact O-N 2.89Å; R128-N132 VanDerWaalsContact O-N 3.09Å; R128-N132 PolarHBondContact O-ND2 2.84Å; R128-N132 VanDerWaalsContact O-ND2 3.17Å; R128-N132 PolarHBondContact O-OD1 2.84Å; N132-V135 PolarHBondContact O-N 2.75Å; N132-E136 WeakPolarHBondContact O-CB 3.19Å; N132-E136 PolarHBondContact O-N 3.49Å |
| 133 | W | 80.5 | Confident | 68.2 | Low | 16 Ų | 16 | 66.4 Ų | 66.4 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.6 | -44.8 | 175.4 | 175.1 | 77.7 | 0 | 0 | 0 | 112.4 | I113 V115 S129 F130 R131 V135 E136 L137 L184 V188 | I113-W133 HydrophobicContact CD1-CH2 4.28Å; I113-W133 HydrophobicContact CD1-CZ3 4.34Å; I113-W133 HydrophobicContact CG2-CH2 3.62Å; I113-W133 HydrophobicContact CG2-CZ2 3.76Å; I113-W133 HydrophobicContact CG2-CZ3 4.2Å; V115-W133 HydrophobicContact CG1-CB 4.16Å; V115-W133 HydrophobicContact CG1-CG 4.14Å; V115-W133 HydrophobicContact CG2-CD2 4.32Å; V115-W133 HydrophobicContact CG2-CE3 4.45Å; S129-W133 WeakPolarHBondContact O-CB 3.29Å; S129-W133 PolarHBondContact O-N 2.98Å; F130-W133 AromaticContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CE3 3.96Å; F130-W133 HydrophobicContact CD2-CZ3 4.34Å; F130-W133 AromaticContact CE2-CE3 3.9Å; F130-W133 HydrophobicContact CE2-CE3 3.9Å; F130-W133 AromaticContact CE2-CZ3 3.82Å; F130-W133 HydrophobicContact CE2-CZ3 3.82Å; F130-W133 WeakPolarHBondContact O-CB 3.42Å; F130-W133 PolarHBondContact O-N 3.21Å; R131-W133 VanDerWaalsContact C-N 3.29Å; R131-W133 PolarHBondContact O-N 2.88Å; W133-V135 VanDerWaalsContact C-N 3.33Å; W133-V135 PolarHBondContact O-N 3.16Å; W133-E136 PolarHBondContact O-N 3.42Å; W133-L137 HydrophobicContact CH2-CD2 4.08Å; W133-L137 HydrophobicContact CZ2-CD2 4.2Å; W133-L137 VanDerWaalsContact O-CB 3.31Å; W133-L137 WeakPolarHBondContact O-CB 3.41Å; W133-L137 PolarHBondContact O-N 3.18Å; W133-L184 HydrophobicContact CH2-CD2 3.75Å; W133-L184 HydrophobicContact CH2-CG 4.24Å; W133-L184 HydrophobicContact CZ3-CD2 3.66Å; W133-V188 HydrophobicContact CH2-CG2 4.2Å; W133-V188 HydrophobicContact CZ2-CG2 4.23Å |
| 134 | L | 82.9 | Confident | 68.8 | Low | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 174.4 | -74.5 | 179 | 0 | 0 | 0 | 112.1 | F130 R131 L137 R138 I152 L155 L156 L184 | F130-L134 HydrophobicContact CD1-CD1 3.97Å; F130-L134 HydrophobicContact CD1-CG 4.5Å; F130-L134 HydrophobicContact CE1-CD1 3.4Å; F130-L134 VanDerWaalsContact CE1-CD1 3.4Å; F130-L134 HydrophobicContact CE1-CG 4.12Å; F130-L134 HydrophobicContact CE2-CD1 4.36Å; F130-L134 HydrophobicContact CE2-CD2 4.39Å; F130-L134 HydrophobicContact CE2-CG 4.23Å; F130-L134 HydrophobicContact CZ-CD1 3.64Å; F130-L134 HydrophobicContact CZ-CD2 4.19Å; F130-L134 HydrophobicContact CZ-CG 3.99Å; F130-L134 WeakPolarHBondContact O-CG 3.36Å; F130-L134 PolarHBondContact O-N 3.28Å; R131-L134 PolarHBondContact O-N 3.28Å; L134-L137 PolarHBondContact O-N 2.88Å; L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 2.83Å; L134-I152 HydrophobicContact CB-CG2 4.21Å; L134-I152 HydrophobicContact CD2-CG2 4.41Å; L134-I152 WeakPolarHBondContact O-CG2 3.5Å; L134-L155 HydrophobicContact CD1-CB 4.13Å; L134-L156 HydrophobicContact CB-CD2 3.7Å; L134-L156 HydrophobicContact CB-CG 4.09Å; L134-L156 HydrophobicContact CD1-CD2 3.79Å; L134-L156 HydrophobicContact CD1-CG 4.03Å; L134-L156 HydrophobicContact CG-CD2 4.43Å; L134-L184 HydrophobicContact CD2-CD2 3.63Å |
| 135 | V | 84.5 | Confident | 69.2 | Low | 44 Ų | 44 | 67.3 Ų | 67.3 | 27% | 0.267 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -66.1 | -40.9 | 176.4 | 171 | 0 | 0 | 0 | 0 | 111.1 | R131 N132 W133 R138 N139 L156 | R131-V135 VanDerWaalsContact O-CG2 3.29Å; R131-V135 WeakPolarHBondContact O-CG2 2.89Å; R131-V135 PolarHBondContact O-N 3.28Å; N132-V135 PolarHBondContact O-N 2.75Å; W133-V135 VanDerWaalsContact C-N 3.33Å; W133-V135 PolarHBondContact O-N 3.16Å; V135-R138 WeakPolarHBondContact O-CB 3.36Å; V135-R138 PolarHBondContact O-N 2.9Å; V135-N139 WeakPolarHBondContact CG1-ND2 3.49Å; V135-N139 WeakPolarHBondContact O-CB 3.23Å; V135-N139 PolarHBondContact O-N 3.34Å; V135-N139 PolarHBondContact O-ND2 2.85Å; V135-N139 VanDerWaalsContact O-ND2 3.1Å; V135-L156 HydrophobicContact CG2-CD1 4.29Å; V135-L156 HydrophobicContact CG2-CD2 4.24Å |
| 136 | E | 81.8 | Confident | 69.3 | Low | 115 Ų | 115 | 70.5 Ų | 70.5 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.2 | -44 | 174.7 | -175.6 | 172.8 | -170 | 0 | 0 | 111.3 | N132 W133 R138 N139 S140 | N132-E136 WeakPolarHBondContact O-CB 3.19Å; N132-E136 PolarHBondContact O-N 3.49Å; W133-E136 PolarHBondContact O-N 3.42Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 3.46Å; E136-N139 CarbonylContact O-C 3.45Å; E136-N139 PolarHBondContact O-N 2.9Å; E136-N139 VanDerWaalsContact O-N 3.08Å; E136-S140 WeakPolarHBondContact O-CB 3.44Å; E136-S140 PolarHBondContact O-N 3.42Å |
| 137 | L | 78.7 | Confident | 69.5 | Low | 27 Ų | 27 | 73.3 Ų | 73.3 | 14% | 0.141 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.5 | -44 | 175.1 | -174.3 | 65.3 | 0 | 0 | 0 | 111.1 | W133 L134 N139 S140 I144 I152 L184 | W133-L137 HydrophobicContact CH2-CD2 4.08Å; W133-L137 HydrophobicContact CZ2-CD2 4.2Å; W133-L137 VanDerWaalsContact O-CB 3.31Å; W133-L137 WeakPolarHBondContact O-CB 3.41Å; W133-L137 PolarHBondContact O-N 3.18Å; L134-L137 PolarHBondContact O-N 2.88Å; L137-N139 VanDerWaalsContact C-N 3.33Å; L137-N139 PolarHBondContact O-N 3.43Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.32Å; L137-I144 HydrophobicContact CD1-CD1 4.43Å; L137-I152 HydrophobicContact CD2-CD1 4.08Å; L137-I152 HydrophobicContact CD2-CG1 4.42Å; L137-I152 HydrophobicContact CG-CD1 4.03Å; L137-L184 HydrophobicContact CD2-CD1 3.82Å |
| 138 | R | 79 | Confident | 70.5 | Confident | 113 Ų | 113 | 77.3 Ų | 77.3 | 43% | 0.426 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -61 | -39.5 | 174 | 179.5 | -179.6 | 174.3 | 179.2 | -1.9 | 112.8 | L134 V135 E136 I152 D153 | L134-R138 WeakPolarHBondContact O-CB 3.43Å; L134-R138 PolarHBondContact O-N 2.83Å; V135-R138 WeakPolarHBondContact O-CB 3.36Å; V135-R138 PolarHBondContact O-N 2.9Å; E136-R138 VanDerWaalsContact C-N 3.31Å; E136-R138 PolarHBondContact O-N 3.46Å; R138-I152 HydrophobicContact CB-CD1 4.33Å; R138-I152 HydrophobicContact CB-CG2 4.08Å; R138-D153 IonicContact CZ-OD1 3.28Å; R138-D153 VanDerWaalsContact CZ-OD1 3.28Å; R138-D153 IonicContact NE-OD1 3.67Å; R138-D153 IonicContact NH1-OD1 2.82Å; R138-D153 PolarHBondContact NH1-OD1 3.17Å; R138-D153 IonicContact NH2-OD1 3.98Å |
| 139 | N | 78.4 | Confident | 71.6 | Confident | 100 Ų | 100 | 70.9 Ų | 70.9 | 54% | 0.535 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -83 | -21.3 | -176.6 | -69.7 | -28.7 | 0 | 0 | 0 | 113.1 | V135 E136 L137 | V135-N139 WeakPolarHBondContact CG1-ND2 3.49Å; V135-N139 WeakPolarHBondContact O-CB 3.23Å; V135-N139 PolarHBondContact O-N 3.34Å; V135-N139 PolarHBondContact O-ND2 2.85Å; V135-N139 VanDerWaalsContact O-ND2 3.1Å; E136-N139 CarbonylContact O-C 3.45Å; E136-N139 PolarHBondContact O-N 2.9Å; E136-N139 VanDerWaalsContact O-N 3.08Å; L137-N139 VanDerWaalsContact C-N 3.33Å; L137-N139 PolarHBondContact O-N 3.43Å |
| 140 | S | 73.9 | Confident | 72.5 | Confident | 42 Ų | 42 | 72.9 Ų | 72.9 | 29% | 0.294 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -60 | 138.8 | 176.4 | 77.3 | 0 | 0 | 0 | 0 | 111 | E136 L137 S142 | E136-S140 WeakPolarHBondContact O-CB 3.44Å; E136-S140 PolarHBondContact O-N 3.42Å; L137-S140 PolarHBondContact O-N 2.92Å; L137-S140 PolarHBondContact O-OG 3.32Å; S140-S142 PolarHBondContact O-N 2.89Å; S140-S142 PolarHBondContact OG-OG 3.47Å; S140-S142 VanDerWaalsContact OG-OG 3.09Å |
| 141 | H | 55.4 | Low | 73 | Confident | 177 Ų | 177 | 73.3 Ų | 73.3 | 82% | 0.819 | 39% | 0.386 | S | S | * | . | trans | -78.2 | 27.1 | -179.9 | -73 | -90.8 | 0 | 0 | 0 | 113.3 | ||||
| 142 | S | 61 | Low | 73.2 | Confident | 24 Ų | 24 | 68.4 Ų | 68.4 | 17% | 0.168 | 37% | 0.368 | C | S | . | . | S | Bend | trans | -75.7 | 156.7 | -179.5 | 62.6 | 0 | 0 | 0 | 0 | 111.6 | S140 I144 K145 | S140-S142 PolarHBondContact O-N 2.89Å; S140-S142 PolarHBondContact OG-OG 3.47Å; S140-S142 VanDerWaalsContact OG-OG 3.09Å; S142-I144 PolarHBondContact O-N 3.3Å; S142-I144 WeakPolarHBondContact OG-CB 3.35Å; S142-K145 VanDerWaalsContact O-CB 3.3Å; S142-K145 WeakPolarHBondContact O-CB 3.43Å; S142-K145 PolarHBondContact O-N 2.88Å |
| 143 | L | 49.8 | Very low | 73.6 | Confident | 165 Ų | 165 | 66.7 Ų | 66.7 | 86% | 0.864 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.9 | -8.7 | 175.2 | -70.4 | 171 | 0 | 0 | 0 | 113.8 | K145 | L143-K145 VanDerWaalsContact C-N 3.28Š|
| 144 | I | 56.4 | Low | 74.2 | Confident | 13 Ų | 13 | 72.1 Ų | 72.1 | 7% | 0.067 | 38% | 0.379 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -24.4 | 174.4 | -56.8 | 171.6 | 0 | 0 | 0 | 111 | L137 S142 S146 R148 V187 Y191 | L137-I144 HydrophobicContact CD1-CD1 4.43Å; S142-I144 PolarHBondContact O-N 3.3Å; S142-I144 WeakPolarHBondContact OG-CB 3.35Å; I144-S146 PolarHBondContact O-N 3.47Å; I144-R148 HydrophobicContact CG2-CB 4.2Å; I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 PolarHBondContact O-N 3Å; I144-V187 HydrophobicContact CD1-CG1 4.36Å; I144-V187 HydrophobicContact CG2-CG1 4.42Å; I144-Y191 HydrophobicContact CD1-CD2 4.11Å; I144-Y191 HydrophobicContact CD1-CG 4.24Å |
| 145 | K | 56.3 | Low | 74.6 | Confident | 102 Ų | 102 | 72.1 Ų | 72.1 | 44% | 0.443 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -38.6 | -170.8 | -174.4 | 176.3 | -178.7 | 174.1 | 0 | 115.3 | S142 L143 | S142-K145 VanDerWaalsContact O-CB 3.3Å; S142-K145 WeakPolarHBondContact O-CB 3.43Å; S142-K145 PolarHBondContact O-N 2.88Å; L143-K145 VanDerWaalsContact C-N 3.28Å |
| 146 | S | 55.3 | Low | 74.8 | Confident | 107 Ų | 107 | 70.8 Ų | 70.8 | 75% | 0.748 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | -32.5 | -169.5 | 52.9 | 0 | 0 | 0 | 0 | 114.1 | I144 | I144-S146 PolarHBondContact O-N 3.47Š|
| 147 | S | 61.5 | Low | 75.3 | Confident | 90 Ų | 90 | 71.9 Ų | 71.9 | 63% | 0.629 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.8 | -18.1 | -177.5 | 53.9 | 0 | 0 | 0 | 0 | 113.7 | ||
| 148 | R | 74.4 | Confident | 76 | Confident | 90 Ų | 90 | 71.2 Ų | 71.2 | 34% | 0.34 | 38% | 0.375 | S | S | . | . | S | Bend | trans | -129.2 | 13.4 | -167.3 | -58.5 | 178.8 | 176.3 | 152.7 | -2.2 | 115 | I144 A150 L151 I152 | I144-R148 HydrophobicContact CG2-CB 4.2Å; I144-R148 WeakPolarHBondContact O-CB 3.42Å; I144-R148 PolarHBondContact O-N 3Å; R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.39Å; R148-L151 HydrophobicContact CB-CB 4.43Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 3.01Å; R148-I152 PolarHBondContact O-N 2.82Å |
| 149 | S | 82.1 | Confident | 76.5 | Confident | 48 Ų | 48 | 66 Ų | 66 | 34% | 0.336 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 171.4 | 54.5 | 0 | 0 | 0 | 0 | 112.1 | L151 I152 D153 | S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.92Å; S149-I152 PolarHBondContact O-N 2.91Å; S149-D153 PolarHBondContact O-N 3.37Å |
| 150 | A | 87.2 | Confident | 77.1 | Confident | 61 Ų | 61 | 63.8 Ų | 63.8 | 50% | 0.504 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.8 | -33.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | R148 R154 | R148-A150 VanDerWaalsContact C-N 3.28Å; R148-A150 PolarHBondContact O-N 3.39Å; A150-R154 WeakPolarHBondContact O-CB 3.28Å; A150-R154 PolarHBondContact O-N 3.39Å |
| 151 | L | 89.2 | Confident | 77.9 | Confident | 8 Ų | 8 | 64 Ų | 64 | 4% | 0.042 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -66.4 | -46.3 | 175.2 | 178.8 | 66.4 | 0 | 0 | 0 | 110.8 | R148 S149 R154 L155 A180 E183 L184 | R148-L151 HydrophobicContact CB-CB 4.43Å; R148-L151 WeakPolarHBondContact O-CB 3.34Å; R148-L151 PolarHBondContact O-N 3.01Å; S149-L151 VanDerWaalsContact C-N 3.3Å; S149-L151 PolarHBondContact O-N 2.92Å; L151-R154 PolarHBondContact O-N 3.15Å; L151-L155 HydrophobicContact CG-CD1 4.46Å; L151-L155 PolarHBondContact O-N 2.79Å; L151-A180 HydrophobicContact CD1-CB 3.77Å; L151-E183 HydrophobicContact CD1-CB 4.24Å; L151-E183 HydrophobicContact CD1-CG 4.3Å; L151-E183 WeakPolarHBondContact CD1-OE2 3.02Å; L151-E183 HydrophobicContact CD2-CB 4.25Å; L151-E183 HydrophobicContact CD2-CG 3.83Å; L151-L184 HydrophobicContact CD2-CB 4.4Å |
| 152 | I | 88.4 | Confident | 79.6 | Confident | 3 Ų | 3 | 55.8 Ų | 55.8 | 2% | 0.015 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.1 | -41.7 | 178.8 | -62.3 | 167.2 | 0 | 0 | 0 | 110.6 | L134 L137 R138 R148 S149 L155 L156 | L134-I152 HydrophobicContact CB-CG2 4.21Å; L134-I152 HydrophobicContact CD2-CG2 4.41Å; L134-I152 WeakPolarHBondContact O-CG2 3.5Å; L137-I152 HydrophobicContact CD2-CD1 4.08Å; L137-I152 HydrophobicContact CD2-CG1 4.42Å; L137-I152 HydrophobicContact CG-CD1 4.03Å; R138-I152 HydrophobicContact CB-CD1 4.33Å; R138-I152 HydrophobicContact CB-CG2 4.08Å; R148-I152 PolarHBondContact O-N 2.82Å; S149-I152 PolarHBondContact O-N 2.91Å; I152-L155 PolarHBondContact O-N 2.91Å; I152-L156 HydrophobicContact CG2-CD1 4.07Å; I152-L156 HydrophobicContact CG2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CB 3.35Å; I152-L156 WeakPolarHBondContact O-CG 3.2Å; I152-L156 PolarHBondContact O-N 2.91Å |
| 153 | D | 89.9 | Confident | 80.9 | Confident | 56 Ų | 56 | 58.4 Ų | 58.4 | 30% | 0.299 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 177.7 | -71.3 | -29.1 | 0 | 0 | 0 | 111.5 | R138 S149 L155 L156 E157 | R138-D153 IonicContact CZ-OD1 3.28Å; R138-D153 VanDerWaalsContact CZ-OD1 3.28Å; R138-D153 IonicContact NE-OD1 3.67Å; R138-D153 IonicContact NH1-OD1 2.82Å; R138-D153 PolarHBondContact NH1-OD1 3.17Å; R138-D153 IonicContact NH2-OD1 3.98Å; S149-D153 PolarHBondContact O-N 3.37Å; D153-L155 PolarHBondContact O-N 3.11Å; D153-L156 PolarHBondContact O-N 3.48Å; D153-E157 WeakPolarHBondContact O-CB 3.46Å; D153-E157 PolarHBondContact O-N 3.07Å |
| 154 | R | 91.6 | Very high | 82.7 | Confident | 129 Ų | 129 | 56.9 Ų | 56.9 | 49% | 0.487 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -61.9 | -41.1 | 173.7 | -170.9 | -174.6 | -61.1 | 147 | 1.8 | 112.2 | A150 L151 E157 G158 | A150-R154 WeakPolarHBondContact O-CB 3.28Å; A150-R154 PolarHBondContact O-N 3.39Å; L151-R154 PolarHBondContact O-N 3.15Å; R154-E157 PolarHBondContact O-N 2.97Å; R154-G158 PolarHBondContact O-N 3.22Å |
| 155 | L | 91 | Very high | 84.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -67.1 | -40.5 | 176.5 | -82 | 170.6 | 0 | 0 | 0 | 112.6 | L134 L151 I152 D153 Y159 Y177 A180 L181 L184 | L134-L155 HydrophobicContact CD1-CB 4.13Å; L151-L155 HydrophobicContact CG-CD1 4.46Å; L151-L155 PolarHBondContact O-N 2.79Å; I152-L155 PolarHBondContact O-N 2.91Å; D153-L155 PolarHBondContact O-N 3.11Å; L155-Y159 WeakPolarHBondContact O-CB 3.22Å; L155-Y159 PolarHBondContact O-N 3.3Å; L155-Y177 HydrophobicContact CD2-CD2 3.98Å; L155-Y177 HydrophobicContact CD2-CE2 3.72Å; L155-A180 HydrophobicContact CD2-CB 3.79Å; L155-A180 HydrophobicContact CG-CB 3.86Å; L155-L181 HydrophobicContact CD2-CB 4.19Å; L155-L181 HydrophobicContact CD2-CD1 4.2Å; L155-L184 HydrophobicContact CD1-CB 3.79Å; L155-L184 HydrophobicContact CD1-CD2 3.46Å; L155-L184 VanDerWaalsContact CD1-CD2 3.46Å; L155-L184 HydrophobicContact CD1-CG 4.21Å |
| 156 | L | 90.3 | Very high | 85.5 | Confident | 17 Ų | 17 | 59.7 Ų | 59.7 | 9% | 0.089 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -46.1 | 174.4 | -77.2 | 170.4 | 0 | 0 | 0 | 111 | R131 L134 V135 I152 D153 Y159 D160 | R131-L156 HydrophobicContact CG-CD2 3.83Å; L134-L156 HydrophobicContact CB-CD2 3.7Å; L134-L156 HydrophobicContact CB-CG 4.09Å; L134-L156 HydrophobicContact CD1-CD2 3.79Å; L134-L156 HydrophobicContact CD1-CG 4.03Å; L134-L156 HydrophobicContact CG-CD2 4.43Å; V135-L156 HydrophobicContact CG2-CD1 4.29Å; V135-L156 HydrophobicContact CG2-CD2 4.24Å; I152-L156 HydrophobicContact CG2-CD1 4.07Å; I152-L156 HydrophobicContact CG2-CG 4.4Å; I152-L156 WeakPolarHBondContact O-CB 3.35Å; I152-L156 WeakPolarHBondContact O-CG 3.2Å; I152-L156 PolarHBondContact O-N 2.91Å; D153-L156 PolarHBondContact O-N 3.48Å; L156-Y159 PolarHBondContact O-N 3.42Å; L156-D160 WeakPolarHBondContact O-CB 3.44Å; L156-D160 PolarHBondContact O-N 3.25Å |
| 157 | E | 91.9 | Very high | 86.9 | Confident | 138 Ų | 138 | 56.9 Ų | 56.9 | 65% | 0.645 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -64.7 | -45.5 | 178.2 | -176.6 | 173 | -165.4 | 0 | 0 | 112.2 | D153 R154 Y159 D160 S161 | D153-E157 WeakPolarHBondContact O-CB 3.46Å; D153-E157 PolarHBondContact O-N 3.07Å; R154-E157 PolarHBondContact O-N 2.97Å; E157-Y159 VanDerWaalsContact C-N 3.32Å; E157-Y159 PolarHBondContact O-N 3.12Å; E157-D160 PolarHBondContact O-N 3.18Å; E157-S161 WeakPolarHBondContact O-CB 3.32Å; E157-S161 PolarHBondContact O-N 3.42Å; E157-S161 PolarHBondContact O-OG 3Å |
| 158 | G | 92 | Very high | 88 | Confident | 13 Ų | 13 | 56 Ų | 56 | 13% | 0.134 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63.5 | -38.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R154 A162 | R154-G158 PolarHBondContact O-N 3.22Å; G158-A162 WeakPolarHBondContact O-CB 3.35Å; G158-A162 PolarHBondContact O-N 3.37Å |
| 159 | Y | 90.5 | Very high | 88.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 1% | 0.008 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.3 | -47.6 | 176.2 | -179.6 | -101 | 0 | 0 | 0 | 112.7 | L105 I108 G127 F130 R131 L155 L156 E157 S161 A162 R163 | L105-Y159 HydrophobicContact CD2-CD2 4.17Å; L105-Y159 HydrophobicContact CD2-CE2 3.65Å; I108-Y159 HydrophobicContact CD1-CD2 3.55Å; I108-Y159 HydrophobicContact CD1-CE2 3.46Å; I108-Y159 VanDerWaalsContact CD1-CE2 3.46Å; G127-Y159 VanDerWaalsContact C-OH 3.24Å; G127-Y159 WeakPolarHBondContact CA-OH 3.44Å; G127-Y159 PolarHBondContact O-OH 3.23Å; F130-Y159 HydrophobicContact CD1-CD1 4.5Å; F130-Y159 AromaticContact CD1-CD2 3.77Å; F130-Y159 HydrophobicContact CD1-CD2 3.77Å; F130-Y159 AromaticContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CE2 3.9Å; F130-Y159 HydrophobicContact CD1-CG 4.07Å; F130-Y159 HydrophobicContact CE1-CD2 4.04Å; F130-Y159 HydrophobicContact CE1-CG 4.27Å; R131-Y159 HydrophobicContact CB-CD1 4.45Å; R131-Y159 HydrophobicContact CB-CE1 4.15Å; L155-Y159 WeakPolarHBondContact O-CB 3.22Å; L155-Y159 PolarHBondContact O-N 3.3Å; L156-Y159 PolarHBondContact O-N 3.42Å; E157-Y159 VanDerWaalsContact C-N 3.32Å; E157-Y159 PolarHBondContact O-N 3.12Å; Y159-S161 VanDerWaalsContact C-N 3.3Å; Y159-S161 PolarHBondContact O-N 3.47Å; Y159-A162 PolarHBondContact O-N 3.43Å; Y159-R163 WeakPolarHBondContact O-CB 3.37Å; Y159-R163 PolarHBondContact O-N 2.84Å; Y159-R163 WeakPolarHBondContact OH-CD 3.26Å; Y159-R163 PolarHBondContact OH-NH1 3.37Å |
| 160 | D | 90.3 | Very high | 89 | Confident | 54 Ų | 54 | 50.1 Ų | 50.1 | 29% | 0.289 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -37.7 | 176.9 | -81 | -12.5 | 0 | 0 | 0 | 110.5 | R131 L156 E157 H164 G165 | R131-D160 IonicContact NE-OD1 3.11Å; R131-D160 IonicContact NE-OD2 3.45Å; L156-D160 WeakPolarHBondContact O-CB 3.44Å; L156-D160 PolarHBondContact O-N 3.25Å; E157-D160 PolarHBondContact O-N 3.18Å; D160-H164 CarbonylContact O-C 3.55Å; D160-H164 WeakPolarHBondContact O-CA 3.26Å; D160-H164 WeakPolarHBondContact O-CB 3.23Å; D160-H164 PolarHBondContact O-N 3.18Å; D160-G165 PolarHBondContact O-N 2.85Å |
| 161 | S | 91.3 | Very high | 89.1 | Confident | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.9 | -42 | 174.7 | -63.6 | 0 | 0 | 0 | 0 | 112.6 | E157 Y159 G165 | E157-S161 WeakPolarHBondContact O-CB 3.32Å; E157-S161 PolarHBondContact O-N 3.42Å; E157-S161 PolarHBondContact O-OG 3Å; Y159-S161 VanDerWaalsContact C-N 3.3Å; Y159-S161 PolarHBondContact O-N 3.47Å; S161-G165 VanDerWaalsContact O-CA 3.26Å; S161-G165 WeakPolarHBondContact O-CA 3.1Å; S161-G165 PolarHBondContact O-N 2.89Å; S161-G165 VanDerWaalsContact O-N 3.15Å |
| 162 | A | 90.8 | Very high | 89.1 | Confident | 5 Ų | 5 | 53.5 Ų | 53.5 | 4% | 0.041 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -68.9 | -42 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R101 A104 G158 Y159 F169 | R101-A162 WeakPolarHBondContact CD-O 3.34Å; A104-A162 HydrophobicContact CB-CB 3.9Å; G158-A162 WeakPolarHBondContact O-CB 3.35Å; G158-A162 PolarHBondContact O-N 3.37Å; Y159-A162 PolarHBondContact O-N 3.43Å; A162-F169 HydrophobicContact CB-CD2 4.37Å; A162-F169 HydrophobicContact CB-CE1 4.3Å; A162-F169 HydrophobicContact CB-CE2 4.03Å; A162-F169 HydrophobicContact CB-CZ 4Å |
| 163 | R | 88.1 | Confident | 89.2 | Confident | 78 Ų | 78 | 57 Ų | 57 | 29% | 0.294 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -88.5 | -38.3 | -172.6 | -160.5 | 174.7 | -173.9 | 110.5 | 4.6 | 114 | E74 L105 G127 Y159 | E74-R163 IonicContact OE1-CZ 3.31Å; E74-R163 IonicContact OE1-NH1 2.82Å; E74-R163 PolarHBondContact OE1-NH1 2.98Å; E74-R163 IonicContact OE1-NH2 3.59Å; E74-R163 PolarHBondContact OE1-NH2 3.33Å; E74-R163 IonicContact OE2-CZ 3.28Å; E74-R163 IonicContact OE2-NH1 3.41Å; E74-R163 PolarHBondContact OE2-NH1 3.45Å; E74-R163 VanDerWaalsContact OE2-NH1 3.11Å; E74-R163 IonicContact OE2-NH2 3.1Å; E74-R163 PolarHBondContact OE2-NH2 3.08Å; L105-R163 HydrophobicContact CD2-CB 4.23Å; L105-R163 HydrophobicContact CD2-CG 4.36Å; G127-R163 VanDerWaalsContact CA-CZ 3.45Å; Y159-R163 WeakPolarHBondContact O-CB 3.37Å; Y159-R163 PolarHBondContact O-N 2.84Å; Y159-R163 WeakPolarHBondContact OH-CD 3.26Å; Y159-R163 PolarHBondContact OH-NH1 3.37Å |
| 164 | H | 88.3 | Confident | 89.3 | Confident | 133 Ų | 133 | 55.1 Ų | 55.1 | 62% | 0.616 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -126 | -11.2 | -169.8 | -58.4 | -50.5 | 0 | 0 | 0 | 113.4 | D160 | D160-H164 CarbonylContact O-C 3.55Å; D160-H164 WeakPolarHBondContact O-CA 3.26Å; D160-H164 WeakPolarHBondContact O-CB 3.23Å; D160-H164 PolarHBondContact O-N 3.18Å |
| 165 | G | 86.4 | Confident | 89.3 | Confident | 22 Ų | 22 | 53.5 Ų | 53.5 | 23% | 0.227 | 31% | 0.314 | C | S | . | . | trans | -64.2 | 142.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | R101 D160 S161 | R101-G165 VanDerWaalsContact CZ-O 3.23Å; R101-G165 PolarHBondContact NH1-O 2.96Å; R101-G165 PolarHBondContact NH2-O 2.99Å; D160-G165 PolarHBondContact O-N 2.85Å; S161-G165 VanDerWaalsContact O-CA 3.26Å; S161-G165 WeakPolarHBondContact O-CA 3.1Å; S161-G165 PolarHBondContact O-N 2.89Å; S161-G165 VanDerWaalsContact O-N 3.15Å | ||
| 166 | T | 85 | Confident | 89.4 | Confident | 153 Ų | 153 | 59.2 Ų | 59.2 | 94% | 0.939 | 34% | 0.341 | S | S | * | . | trans | -93.6 | -14.5 | 173.4 | 53 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 167 | G | 84.8 | Confident | 89.5 | Confident | 48 Ų | 48 | 58.7 Ų | 58.7 | 50% | 0.495 | 34% | 0.338 | S | S | . | . | S | Bend | trans | -78.7 | 174.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | R101 F169 | R101-G167 PolarHBondContact NH2-O 2.8Å; G167-F169 PolarHBondContact O-N 2.81Å |
| 168 | A | 84.8 | Confident | 89.5 | Confident | 72 Ų | 72 | 58.2 Ų | 58.2 | 60% | 0.595 | 33% | 0.33 | S | S | * | . | trans | -63.8 | 136.7 | 170.1 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 169 | F | 89.4 | Confident | 89.6 | Confident | 5 Ų | 5 | 64.2 Ų | 64.2 | 2% | 0.022 | 36% | 0.355 | C | S | . | . | trans | -133.4 | 95.4 | 171.6 | -174.1 | -81.9 | 0 | 0 | 0 | 105.5 | N97 R101 A104 A162 G167 E173 F174 | N97-F169 CarbonylContact C-O 3.46Å; N97-F169 WeakPolarHBondContact CA-O 3.36Å; N97-F169 WeakPolarHBondContact CB-O 3.15Å; R101-F169 HydrophobicContact CB-CD1 4.45Å; R101-F169 HydrophobicContact CG-CB 3.74Å; R101-F169 HydrophobicContact CG-CD1 3.72Å; R101-F169 HydrophobicContact CG-CG 3.9Å; A104-F169 HydrophobicContact CB-CE1 3.93Å; A104-F169 HydrophobicContact CB-CZ 3.97Å; A162-F169 HydrophobicContact CB-CD2 4.37Å; A162-F169 HydrophobicContact CB-CE1 4.3Å; A162-F169 HydrophobicContact CB-CE2 4.03Å; A162-F169 HydrophobicContact CB-CZ 4Å; G167-F169 PolarHBondContact O-N 2.81Å; F169-E173 HydrophobicContact CD2-CB 3.88Å; F169-E173 HydrophobicContact CE2-CB 3.87Å; F169-E173 HydrophobicContact CG-CB 4.3Å; F169-E173 HydrophobicContact CZ-CB 4.26Å; F169-F174 HydrophobicContact CE1-CB 3.96Å; F169-F174 HydrophobicContact CZ-CB 4.47Å | ||
| 170 | G | 88.3 | Confident | 89.6 | Confident | 8 Ų | 8 | 64.1 Ų | 64.1 | 8% | 0.082 | 36% | 0.355 | C | S | . | . | trans | -105 | -154.5 | -173 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y100 E173 F174 | Y100-G170 WeakPolarHBondContact CB-O 3.33Å; G170-E173 VanDerWaalsContact C-OE2 3.27Å; G170-E173 WeakPolarHBondContact CA-OE2 3.41Å; G170-E173 PolarHBondContact N-OE2 2.85Å; G170-F174 WeakPolarHBondContact O-CB 3.26Å; G170-F174 PolarHBondContact O-N 2.95Å | ||
| 171 | E | 87.9 | Confident | 89.7 | Confident | 81 Ų | 81 | 61.7 Ų | 61.7 | 38% | 0.379 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -68.4 | -41.9 | -177.7 | -171.8 | 171.5 | -165.5 | 0 | 0 | 112.7 | Q93 Y100 F174 L175 | Q93-E171 PolarHBondContact NE2-OE2 3.29Å; Y100-E171 HydrophobicContact CD1-CB 4.41Å; Y100-E171 HydrophobicContact CE1-CB 3.77Å; Y100-E171 HydrophobicContact CE1-CG 3.9Å; Y100-E171 HydrophobicContact CE2-CB 4.02Å; E171-F174 PolarHBondContact O-N 3.45Å; E171-L175 HydrophobicContact CG-CD1 4.12Å; E171-L175 HydrophobicContact CG-CG 4.48Å; E171-L175 WeakPolarHBondContact O-CB 3.48Å; E171-L175 VanDerWaalsContact O-CG 3.3Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.36Å |
| 172 | A | 89.4 | Confident | 89.6 | Confident | 59 Ų | 59 | 63 Ų | 63 | 49% | 0.488 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.6 | -49.3 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111 | F174 L175 E176 | A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 2.9Å; A172-L175 PolarHBondContact O-N 3.27Å; A172-E176 WeakPolarHBondContact O-CG 3.3Å; A172-E176 PolarHBondContact O-N 2.93Å |
| 173 | E | 91.4 | Very high | 89.6 | Confident | 76 Ų | 76 | 66.7 Ų | 66.7 | 36% | 0.355 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 178.3 | -58 | 86.4 | 164.8 | 0 | 0 | 111.1 | F169 G170 Y177 | F169-E173 HydrophobicContact CD2-CB 3.88Å; F169-E173 HydrophobicContact CE2-CB 3.87Å; F169-E173 HydrophobicContact CG-CB 4.3Å; F169-E173 HydrophobicContact CZ-CB 4.26Å; G170-E173 VanDerWaalsContact C-OE2 3.27Å; G170-E173 WeakPolarHBondContact CA-OE2 3.41Å; G170-E173 PolarHBondContact N-OE2 2.85Å; E173-Y177 VanDerWaalsContact O-CB 3.23Å; E173-Y177 WeakPolarHBondContact O-CB 3.26Å; E173-Y177 PolarHBondContact O-N 3.46Å |
| 174 | F | 91.1 | Very high | 89.6 | Confident | 18 Ų | 18 | 63 Ų | 63 | 8% | 0.079 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 174.6 | 172.8 | -106.3 | 0 | 0 | 0 | 112.7 | Y100 K103 A104 F169 G170 E171 A172 Y177 R178 | Y100-F174 HydrophobicContact CD1-CB 3.93Å; Y100-F174 HydrophobicContact CD1-CD1 4.05Å; Y100-F174 HydrophobicContact CD1-CG 4.06Å; Y100-F174 HydrophobicContact CG-CB 4.37Å; K103-F174 HydrophobicContact CB-CD2 4.06Å; K103-F174 HydrophobicContact CB-CE1 4.49Å; K103-F174 HydrophobicContact CB-CE2 3.55Å; K103-F174 HydrophobicContact CB-CZ 3.79Å; K103-F174 HydrophobicContact CD-CE1 4.35Å; K103-F174 HydrophobicContact CD-CZ 4.36Å; A104-F174 HydrophobicContact CB-CD2 4.03Å; A104-F174 HydrophobicContact CB-CE2 4.41Å; F169-F174 HydrophobicContact CE1-CB 3.96Å; F169-F174 HydrophobicContact CZ-CB 4.47Å; G170-F174 WeakPolarHBondContact O-CB 3.26Å; G170-F174 PolarHBondContact O-N 2.95Å; E171-F174 PolarHBondContact O-N 3.45Å; A172-F174 VanDerWaalsContact C-N 3.28Å; A172-F174 PolarHBondContact O-N 2.9Å; F174-Y177 PolarHBondContact O-N 2.76Å; F174-R178 VanDerWaalsContact O-CB 3.27Å; F174-R178 WeakPolarHBondContact O-CB 3.45Å; F174-R178 PolarHBondContact O-N 3.04Å |
| 175 | L | 91.9 | Very high | 89.5 | Confident | 94 Ų | 94 | 57.2 Ų | 57.2 | 49% | 0.492 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -43.5 | 178.6 | -73.6 | 172.5 | 0 | 0 | 0 | 111.5 | E171 A172 R178 Q179 | E171-L175 HydrophobicContact CG-CD1 4.12Å; E171-L175 HydrophobicContact CG-CG 4.48Å; E171-L175 WeakPolarHBondContact O-CB 3.48Å; E171-L175 VanDerWaalsContact O-CG 3.3Å; E171-L175 WeakPolarHBondContact O-CG 3.41Å; E171-L175 PolarHBondContact O-N 3.36Å; A172-L175 PolarHBondContact O-N 3.27Å; L175-R178 PolarHBondContact O-N 2.87Å; L175-Q179 WeakPolarHBondContact O-CB 3.29Å; L175-Q179 PolarHBondContact O-N 3.44Å |
| 176 | E | 93.1 | Very high | 89.5 | Confident | 121 Ų | 121 | 61 Ų | 61 | 57% | 0.565 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.2 | -45.3 | 174.5 | -71.8 | -176.1 | -177.6 | 0 | 0 | 111.8 | A172 R178 Q179 A180 | A172-E176 WeakPolarHBondContact O-CG 3.3Å; A172-E176 PolarHBondContact O-N 2.93Å; E176-R178 PolarHBondContact O-N 3.46Å; E176-Q179 PolarHBondContact O-N 2.86Å; E176-A180 WeakPolarHBondContact O-CB 3.27Å; E176-A180 PolarHBondContact O-N 3.13Å |
| 177 | Y | 92.7 | Very high | 89.4 | Confident | 6 Ų | 6 | 54.1 Ų | 54.1 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.3 | -45.9 | 176.3 | 176.3 | -102.5 | 0 | 0 | 0 | 111.7 | A104 I108 L155 E173 F174 A180 L181 | A104-Y177 HydrophobicContact CB-CD1 3.88Å; A104-Y177 HydrophobicContact CB-CE1 3.93Å; A104-Y177 WeakPolarHBondContact O-CE1 3.34Å; I108-Y177 VanDerWaalsContact CD1-OH 3.24Å; I108-Y177 WeakPolarHBondContact CD1-OH 3.43Å; I108-Y177 HydrophobicContact CG1-CE1 4.48Å; I108-Y177 WeakPolarHBondContact CG1-OH 3.47Å; L155-Y177 HydrophobicContact CD2-CD2 3.98Å; L155-Y177 HydrophobicContact CD2-CE2 3.72Å; E173-Y177 VanDerWaalsContact O-CB 3.23Å; E173-Y177 WeakPolarHBondContact O-CB 3.26Å; E173-Y177 PolarHBondContact O-N 3.46Å; F174-Y177 PolarHBondContact O-N 2.76Å; Y177-A180 PolarHBondContact O-N 3.28Å; Y177-L181 WeakPolarHBondContact O-CB 3.28Å; Y177-L181 PolarHBondContact O-N 3.32Å |
| 178 | R | 92.4 | Very high | 89.1 | Confident | 127 Ų | 127 | 53 Ų | 53 | 48% | 0.479 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -63.7 | -43.6 | 179.2 | -177.8 | 177.3 | 179.2 | 172.1 | 3.7 | 111.7 | F174 L175 E176 A180 L181 D182 | F174-R178 VanDerWaalsContact O-CB 3.27Å; F174-R178 WeakPolarHBondContact O-CB 3.45Å; F174-R178 PolarHBondContact O-N 3.04Å; L175-R178 PolarHBondContact O-N 2.87Å; E176-R178 PolarHBondContact O-N 3.46Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 2.98Å; R178-L181 WeakPolarHBondContact O-CB 3.46Å; R178-L181 PolarHBondContact O-N 2.94Å; R178-L181 VanDerWaalsContact O-N 3.13Å; R178-D182 PolarHBondContact O-N 3.15Å |
| 179 | Q | 93.1 | Very high | 89 | Confident | 139 Ų | 139 | 55.4 Ų | 55.4 | 65% | 0.65 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -60.9 | -44.3 | 176.9 | -176.2 | -179.4 | 10.3 | 0 | 0 | 111.3 | L175 E176 L181 D182 E183 | L175-Q179 WeakPolarHBondContact O-CB 3.29Å; L175-Q179 PolarHBondContact O-N 3.44Å; E176-Q179 PolarHBondContact O-N 2.86Å; Q179-L181 VanDerWaalsContact C-N 3.26Å; Q179-L181 PolarHBondContact O-N 3.11Å; Q179-D182 PolarHBondContact O-N 2.65Å; Q179-E183 WeakPolarHBondContact O-CB 3.43Å; Q179-E183 PolarHBondContact O-N 2.78Å |
| 180 | A | 91.8 | Very high | 88.6 | Confident | 1 Ų | 1 | 57.9 Ų | 57.9 | 1% | 0.008 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.5 | -34.3 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | L151 L155 E176 Y177 R178 L184 | L151-A180 HydrophobicContact CD1-CB 3.77Å; L155-A180 HydrophobicContact CD2-CB 3.79Å; L155-A180 HydrophobicContact CG-CB 3.86Å; E176-A180 WeakPolarHBondContact O-CB 3.27Å; E176-A180 PolarHBondContact O-N 3.13Å; Y177-A180 PolarHBondContact O-N 3.28Å; R178-A180 VanDerWaalsContact C-N 3.33Å; R178-A180 PolarHBondContact O-N 2.98Å; A180-L184 PolarHBondContact O-N 2.92Å |
| 181 | L | 90.9 | Very high | 88 | Confident | 3 Ų | 3 | 63 Ų | 63 | 2% | 0.016 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -67.5 | -47.1 | 177.4 | -166.7 | 87.4 | 0 | 0 | 0 | 111 | A107 I108 F130 L155 Y177 R178 Q179 E183 L184 V185 | A107-L181 HydrophobicContact CB-CD2 4.22Å; I108-L181 HydrophobicContact CG1-CD1 4.27Å; F130-L181 HydrophobicContact CZ-CD1 4.1Å; L155-L181 HydrophobicContact CD2-CB 4.19Å; L155-L181 HydrophobicContact CD2-CD1 4.2Å; Y177-L181 WeakPolarHBondContact O-CB 3.28Å; Y177-L181 PolarHBondContact O-N 3.32Å; R178-L181 WeakPolarHBondContact O-CB 3.46Å; R178-L181 PolarHBondContact O-N 2.94Å; R178-L181 VanDerWaalsContact O-N 3.13Å; Q179-L181 VanDerWaalsContact C-N 3.26Å; Q179-L181 PolarHBondContact O-N 3.11Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.82Å; L181-L184 WeakPolarHBondContact O-CB 3.38Å; L181-L184 PolarHBondContact O-N 2.85Å; L181-L184 VanDerWaalsContact O-N 3.15Å; L181-V185 WeakPolarHBondContact O-CG2 3.38Å; L181-V185 PolarHBondContact O-N 3.16Å |
| 182 | D | 90.4 | Very high | 87.3 | Confident | 74 Ų | 74 | 62.3 Ų | 62.3 | 40% | 0.396 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -62 | -42.1 | 177.5 | -69.1 | -27 | 0 | 0 | 0 | 110.7 | R178 Q179 L184 V185 D186 | R178-D182 PolarHBondContact O-N 3.15Å; Q179-D182 PolarHBondContact O-N 2.65Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.49Å; D182-V185 WeakPolarHBondContact O-CB 3.35Å; D182-V185 PolarHBondContact O-N 2.95Å; D182-D186 PolarHBondContact O-N 3.3Å |
| 183 | E | 90.7 | Very high | 86.4 | Confident | 82 Ų | 82 | 62.8 Ų | 62.8 | 38% | 0.383 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.5 | -44.4 | 173.2 | -172.5 | -177.6 | 162.3 | 0 | 0 | 111.3 | L151 Q179 L181 V185 D186 V187 | L151-E183 HydrophobicContact CD1-CB 4.24Å; L151-E183 HydrophobicContact CD1-CG 4.3Å; L151-E183 WeakPolarHBondContact CD1-OE2 3.02Å; L151-E183 HydrophobicContact CD2-CB 4.25Å; L151-E183 HydrophobicContact CD2-CG 3.83Å; Q179-E183 WeakPolarHBondContact O-CB 3.43Å; Q179-E183 PolarHBondContact O-N 2.78Å; L181-E183 VanDerWaalsContact C-N 3.33Å; L181-E183 PolarHBondContact O-N 2.82Å; E183-V185 PolarHBondContact O-N 3.19Å; E183-D186 PolarHBondContact O-N 2.9Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.32Å; E183-V187 PolarHBondContact O-N 3.34Å |
| 184 | L | 86.8 | Confident | 85.3 | Confident | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.2 | -40 | 177.5 | -179.9 | 61.6 | 0 | 0 | 0 | 112.2 | I113 W133 L134 L137 L151 L155 A180 L181 D182 D186 V187 V188 | I113-L184 HydrophobicContact CD1-CD2 4.43Å; W133-L184 HydrophobicContact CH2-CD2 3.75Å; W133-L184 HydrophobicContact CH2-CG 4.24Å; W133-L184 HydrophobicContact CZ3-CD2 3.66Å; L134-L184 HydrophobicContact CD2-CD2 3.63Å; L137-L184 HydrophobicContact CD2-CD1 3.82Å; L151-L184 HydrophobicContact CD2-CB 4.4Å; L155-L184 HydrophobicContact CD1-CB 3.79Å; L155-L184 HydrophobicContact CD1-CD2 3.46Å; L155-L184 VanDerWaalsContact CD1-CD2 3.46Å; L155-L184 HydrophobicContact CD1-CG 4.21Å; A180-L184 PolarHBondContact O-N 2.92Å; L181-L184 WeakPolarHBondContact O-CB 3.38Å; L181-L184 PolarHBondContact O-N 2.85Å; L181-L184 VanDerWaalsContact O-N 3.15Å; D182-L184 VanDerWaalsContact C-N 3.33Å; D182-L184 PolarHBondContact O-N 3.49Å; L184-D186 VanDerWaalsContact C-N 3.33Å; L184-D186 PolarHBondContact O-N 3.04Å; L184-V187 WeakPolarHBondContact O-CB 3.16Å; L184-V187 PolarHBondContact O-N 3.03Å; L184-V188 HydrophobicContact CD1-CG2 4.24Å; L184-V188 HydrophobicContact CG-CG2 4.42Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 3.26Å |
| 185 | V | 86.4 | Confident | 84 | Confident | 11 Ų | 11 | 63.4 Ų | 63.4 | 7% | 0.067 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.3 | 170.3 | 0 | 0 | 0 | 0 | 110.6 | I113 L181 D182 E183 V187 V188 K189 | I113-V185 HydrophobicContact CD1-CG2 3.91Å; I113-V185 HydrophobicContact CG1-CG2 3.6Å; L181-V185 WeakPolarHBondContact O-CG2 3.38Å; L181-V185 PolarHBondContact O-N 3.16Å; D182-V185 WeakPolarHBondContact O-CB 3.35Å; D182-V185 PolarHBondContact O-N 2.95Å; E183-V185 PolarHBondContact O-N 3.19Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 3.45Å; V185-V188 PolarHBondContact O-N 3.4Å; V185-K189 HydrophobicContact CG1-CD 3.98Å; V185-K189 VanDerWaalsContact CG1-CE 3.43Å; V185-K189 HydrophobicContact CG1-CG 4.49Å; V185-K189 WeakPolarHBondContact O-CB 3.35Å; V185-K189 WeakPolarHBondContact O-CG 3.49Å; V185-K189 PolarHBondContact O-N 3.01Å |
| 186 | D | 86.5 | Confident | 82.5 | Confident | 102 Ų | 102 | 62 Ų | 62 | 55% | 0.545 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -63.4 | -37.8 | 178.9 | -72.4 | -18.9 | 0 | 0 | 0 | 111.8 | D182 E183 L184 K189 A190 | D182-D186 PolarHBondContact O-N 3.3Å; E183-D186 PolarHBondContact O-N 2.9Å; L184-D186 VanDerWaalsContact C-N 3.33Å; L184-D186 PolarHBondContact O-N 3.04Å; D186-K189 PolarHBondContact O-N 3.13Å; D186-A190 VanDerWaalsContact O-CB 3.29Å; D186-A190 WeakPolarHBondContact O-CB 3.39Å; D186-A190 PolarHBondContact O-N 2.96Å |
| 187 | V | 83.1 | Confident | 80.8 | Confident | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.048 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.6 | -46.2 | 174.5 | 167.5 | 0 | 0 | 0 | 0 | 112.1 | I144 E183 L184 V185 K189 A190 Y191 | I144-V187 HydrophobicContact CD1-CG1 4.36Å; I144-V187 HydrophobicContact CG2-CG1 4.42Å; E183-V187 VanDerWaalsContact O-CG2 3.26Å; E183-V187 WeakPolarHBondContact O-CG2 3.32Å; E183-V187 PolarHBondContact O-N 3.34Å; L184-V187 WeakPolarHBondContact O-CB 3.16Å; L184-V187 PolarHBondContact O-N 3.03Å; V185-V187 VanDerWaalsContact C-N 3.29Å; V185-V187 PolarHBondContact O-N 3.45Å; V187-K189 VanDerWaalsContact C-N 3.32Å; V187-K189 PolarHBondContact O-N 2.87Å; V187-A190 PolarHBondContact O-N 2.84Å; V187-Y191 WeakPolarHBondContact O-CB 3.33Å; V187-Y191 PolarHBondContact O-N 3.47Å |
| 188 | V | 79.9 | Confident | 79 | Confident | 25 Ų | 25 | 64.7 Ų | 64.7 | 15% | 0.152 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.2 | -40.2 | 179 | 171.7 | 0 | 0 | 0 | 0 | 110.6 | W133 L184 V185 Y191 S192 | W133-V188 HydrophobicContact CH2-CG2 4.2Å; W133-V188 HydrophobicContact CZ2-CG2 4.23Å; L184-V188 HydrophobicContact CD1-CG2 4.24Å; L184-V188 HydrophobicContact CG-CG2 4.42Å; L184-V188 VanDerWaalsContact O-CG2 3.32Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 3.26Å; V185-V188 PolarHBondContact O-N 3.4Å; V188-Y191 PolarHBondContact O-N 3Å; V188-S192 WeakPolarHBondContact O-CB 3.33Å; V188-S192 PolarHBondContact O-N 3.2Å; V188-S192 PolarHBondContact O-OG 3.18Å |
| 189 | K | 82.1 | Confident | 77.3 | Confident | 122 Ų | 122 | 65 Ų | 65 | 53% | 0.53 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 175 | -73.3 | 173.3 | -179 | 168.9 | 0 | 112.5 | V185 D186 V187 Y191 S192 S193 | V185-K189 HydrophobicContact CG1-CD 3.98Å; V185-K189 VanDerWaalsContact CG1-CE 3.43Å; V185-K189 HydrophobicContact CG1-CG 4.49Å; V185-K189 WeakPolarHBondContact O-CB 3.35Å; V185-K189 WeakPolarHBondContact O-CG 3.49Å; V185-K189 PolarHBondContact O-N 3.01Å; D186-K189 PolarHBondContact O-N 3.13Å; V187-K189 VanDerWaalsContact C-N 3.32Å; V187-K189 PolarHBondContact O-N 2.87Å; K189-Y191 VanDerWaalsContact C-N 3.33Å; K189-Y191 PolarHBondContact O-N 3.5Å; K189-S192 PolarHBondContact O-N 3.44Å; K189-S193 WeakPolarHBondContact O-CB 3.39Å; K189-S193 PolarHBondContact O-N 2.77Å; K189-S193 PolarHBondContact O-OG 3.33Å |
| 190 | A | 81.3 | Confident | 75.7 | Confident | 57 Ų | 57 | 64.5 Ų | 64.5 | 47% | 0.471 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.8 | -41.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | D186 V187 S193 S194 | D186-A190 VanDerWaalsContact O-CB 3.29Å; D186-A190 WeakPolarHBondContact O-CB 3.39Å; D186-A190 PolarHBondContact O-N 2.96Å; V187-A190 PolarHBondContact O-N 2.84Å; A190-S193 PolarHBondContact O-N 3.33Å; A190-S194 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-OG 2.82Å |
| 191 | Y | 75.8 | Confident | 73.9 | Confident | 116 Ų | 116 | 70 Ų | 70 | 46% | 0.455 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.4 | -50.3 | 175.3 | -175.4 | -102.7 | 0 | 0 | 0 | 111.5 | I144 V187 V188 K189 S193 S194 T195 | I144-Y191 HydrophobicContact CD1-CD2 4.11Å; I144-Y191 HydrophobicContact CD1-CG 4.24Å; V187-Y191 WeakPolarHBondContact O-CB 3.33Å; V187-Y191 PolarHBondContact O-N 3.47Å; V188-Y191 PolarHBondContact O-N 3Å; K189-Y191 VanDerWaalsContact C-N 3.33Å; K189-Y191 PolarHBondContact O-N 3.5Å; Y191-S193 PolarHBondContact O-N 3.25Å; Y191-S194 WeakPolarHBondContact CA-OG 3.47Å; Y191-S194 PolarHBondContact O-N 2.84Å; Y191-S194 PolarHBondContact O-OG 3.47Å; Y191-T195 PolarHBondContact O-N 2.8Å; Y191-T195 PolarHBondContact O-OG1 3.42Å |
| 192 | S | 72 | Confident | 72.4 | Confident | 66 Ų | 66 | 76.7 Ų | 76.7 | 46% | 0.462 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -56.8 | -39.5 | 177.7 | -55.2 | 0 | 0 | 0 | 0 | 112.1 | V188 K189 S196 | V188-S192 WeakPolarHBondContact O-CB 3.33Å; V188-S192 PolarHBondContact O-N 3.2Å; V188-S192 PolarHBondContact O-OG 3.18Å; K189-S192 PolarHBondContact O-N 3.44Å; S192-S196 WeakPolarHBondContact O-CB 3.45Å; S192-S196 PolarHBondContact O-N 2.86Å; S192-S196 VanDerWaalsContact O-N 3.11Å |
| 193 | S | 71.3 | Confident | 70.8 | Confident | 69 Ų | 69 | 76 Ų | 76 | 48% | 0.483 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -66.5 | -44.7 | 175.7 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | K189 A190 Y191 S196 L197 | K189-S193 WeakPolarHBondContact O-CB 3.39Å; K189-S193 PolarHBondContact O-N 2.77Å; K189-S193 PolarHBondContact O-OG 3.33Å; A190-S193 PolarHBondContact O-N 3.33Å; Y191-S193 PolarHBondContact O-N 3.25Å; S193-S196 PolarHBondContact O-N 2.95Å; S193-S196 PolarHBondContact O-OG 3.34Å; S193-L197 PolarHBondContact O-N 2.87Å; S193-L197 VanDerWaalsContact O-N 3.1Å |
| 194 | S | 67.9 | Low | 69.2 | Low | 50 Ų | 50 | 74.7 Ų | 74.7 | 35% | 0.35 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.5 | -43.4 | 177.7 | 64.3 | 0 | 0 | 0 | 0 | 113.3 | A190 Y191 S196 L197 D198 | A190-S194 PolarHBondContact O-N 2.95Å; A190-S194 PolarHBondContact O-OG 2.82Å; Y191-S194 WeakPolarHBondContact CA-OG 3.47Å; Y191-S194 PolarHBondContact O-N 2.84Å; Y191-S194 PolarHBondContact O-OG 3.47Å; S194-S196 VanDerWaalsContact C-N 3.31Å; S194-S196 PolarHBondContact O-N 3.36Å; S194-L197 PolarHBondContact O-N 3.26Å; S194-D198 PolarHBondContact O-N 3.26Å |
| 195 | T | 64.1 | Low | 67.7 | Low | 56 Ų | 56 | 77.4 Ų | 77.4 | 34% | 0.344 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -63.3 | -38.6 | 176.8 | -55.3 | 0 | 0 | 0 | 0 | 111.4 | Y191 L197 Q199 | Y191-T195 PolarHBondContact O-N 2.8Å; Y191-T195 PolarHBondContact O-OG1 3.42Å; T195-L197 VanDerWaalsContact C-N 3.34Å; T195-L197 PolarHBondContact O-N 3.41Å; T195-Q199 VanDerWaalsContact O-CB 3.23Å; T195-Q199 WeakPolarHBondContact O-CB 3.46Å; T195-Q199 PolarHBondContact O-N 3.25Å |
| 196 | S | 60 | Low | 66.1 | Low | 65 Ų | 65 | 84.6 Ų | 84.6 | 46% | 0.455 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.6 | 75.6 | 0 | 0 | 0 | 0 | 112.7 | S192 S193 S194 Q199 Q200 | S192-S196 WeakPolarHBondContact O-CB 3.45Å; S192-S196 PolarHBondContact O-N 2.86Å; S192-S196 VanDerWaalsContact O-N 3.11Å; S193-S196 PolarHBondContact O-N 2.95Å; S193-S196 PolarHBondContact O-OG 3.34Å; S194-S196 VanDerWaalsContact C-N 3.31Å; S194-S196 PolarHBondContact O-N 3.36Å; S196-Q199 PolarHBondContact O-N 2.88Å; S196-Q200 WeakPolarHBondContact O-CB 3.45Å; S196-Q200 PolarHBondContact O-N 2.95Å |
| 197 | L | 57.3 | Low | 64.6 | Low | 88 Ų | 88 | 86 Ų | 86 | 46% | 0.461 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -70.4 | -43.7 | 178.4 | -116.4 | 153.6 | 0 | 0 | 0 | 112.1 | S193 S194 T195 Q199 Q200 H201 | S193-L197 PolarHBondContact O-N 2.87Å; S193-L197 VanDerWaalsContact O-N 3.1Å; S194-L197 PolarHBondContact O-N 3.26Å; T195-L197 VanDerWaalsContact C-N 3.34Å; T195-L197 PolarHBondContact O-N 3.41Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.37Å; L197-Q200 PolarHBondContact O-N 3.48Å; L197-H201 PolarHBondContact O-CD2 2.84Å; L197-H201 PolarHBondContact O-N 3.21Å |
| 198 | D | 55.7 | Low | 63.2 | Low | 95 Ų | 95 | 93 Ų | 93 | 51% | 0.508 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -38.8 | 174.6 | -80.2 | -28.3 | 0 | 0 | 0 | 111.6 | S194 H201 Q202 | S194-D198 PolarHBondContact O-N 3.26Å; D198-H201 PolarHBondContact O-N 2.79Å; D198-Q202 WeakPolarHBondContact O-CG 3.21Å; D198-Q202 PolarHBondContact O-N 3.5Å |
| 199 | Q | 56.7 | Low | 61.9 | Low | 135 Ų | 135 | 97.7 Ų | 97.7 | 63% | 0.631 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.4 | -39.4 | 175.1 | -160.9 | 166 | 44.9 | 0 | 0 | 111.1 | T195 S196 L197 Q202 S203 | T195-Q199 VanDerWaalsContact O-CB 3.23Å; T195-Q199 WeakPolarHBondContact O-CB 3.46Å; T195-Q199 PolarHBondContact O-N 3.25Å; S196-Q199 PolarHBondContact O-N 2.88Å; L197-Q199 VanDerWaalsContact C-N 3.32Å; L197-Q199 PolarHBondContact O-N 3.37Å; Q199-Q202 PolarHBondContact O-N 2.86Å; Q199-S203 PolarHBondContact O-N 2.93Å; Q199-S203 PolarHBondContact O-OG 3.5Å |
| 200 | Q | 58.2 | Low | 60.3 | Low | 128 Ų | 128 | 94.7 Ų | 94.7 | 60% | 0.598 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -64.8 | -42 | 174.7 | -167.7 | 177.2 | -15.9 | 0 | 0 | 112.3 | S196 L197 Q202 S203 A204 | S196-Q200 WeakPolarHBondContact O-CB 3.45Å; S196-Q200 PolarHBondContact O-N 2.95Å; L197-Q200 PolarHBondContact O-N 3.48Å; Q200-Q202 VanDerWaalsContact C-N 3.35Å; Q200-S203 VanDerWaalsContact CA-OG 3.25Å; Q200-S203 WeakPolarHBondContact CA-OG 3.32Å; Q200-S203 PolarHBondContact O-N 3.29Å; Q200-S203 PolarHBondContact O-OG 2.96Å; Q200-A204 WeakPolarHBondContact O-CB 3.38Å; Q200-A204 PolarHBondContact O-N 2.92Å |
| 201 | H | 54.3 | Low | 58.3 | Low | 117 Ų | 117 | 96.9 Ų | 96.9 | 54% | 0.542 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -63.1 | -39.9 | 174.7 | -74.5 | -174.6 | 0 | 0 | 0 | 111.9 | L197 D198 A205 | L197-H201 PolarHBondContact O-CD2 2.84Å; L197-H201 PolarHBondContact O-N 3.21Å; D198-H201 PolarHBondContact O-N 2.79Å; H201-A205 WeakPolarHBondContact O-CB 3.24Å; H201-A205 PolarHBondContact O-N 2.99Å |
| 202 | Q | 59.3 | Low | 56.8 | Low | 143 Ų | 143 | 96.9 Ų | 96.9 | 67% | 0.668 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -69.2 | -37.1 | 175.8 | -72.8 | 179.6 | 22.2 | 0 | 0 | 112.7 | D198 Q199 Q200 K206 | D198-Q202 WeakPolarHBondContact O-CG 3.21Å; D198-Q202 PolarHBondContact O-N 3.5Å; Q199-Q202 PolarHBondContact O-N 2.86Å; Q200-Q202 VanDerWaalsContact C-N 3.35Å; Q202-K206 PolarHBondContact O-N 3.49Å |
| 203 | S | 57.8 | Low | 55 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.1 | -41.3 | 173.5 | 42.9 | 0 | 0 | 0 | 0 | 112.7 | Q199 Q200 A205 K206 D207 | Q199-S203 PolarHBondContact O-N 2.93Å; Q199-S203 PolarHBondContact O-OG 3.5Å; Q200-S203 VanDerWaalsContact CA-OG 3.25Å; Q200-S203 WeakPolarHBondContact CA-OG 3.32Å; Q200-S203 PolarHBondContact O-N 3.29Å; Q200-S203 PolarHBondContact O-OG 2.96Å; S203-A205 PolarHBondContact O-N 2.87Å; S203-K206 WeakPolarHBondContact O-CB 3.46Å; S203-K206 PolarHBondContact O-N 3.3Å; S203-K206 VanDerWaalsContact O-N 3.12Å; S203-D207 PolarHBondContact O-N 3.32Å |
| 204 | A | 56.9 | Low | 53.5 | Low | 53 Ų | 53 | 109.3 Ų | 109.3 | 44% | 0.438 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -66.3 | -35.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q200 K206 D207 | Q200-A204 WeakPolarHBondContact O-CB 3.38Å; Q200-A204 PolarHBondContact O-N 2.92Å; A204-K206 VanDerWaalsContact C-N 3.27Å; A204-K206 PolarHBondContact O-N 2.92Å; A204-D207 PolarHBondContact O-N 3.47Å |
| 205 | A | 55 | Low | 51.9 | Low | 59 Ų | 59 | 110.4 Ų | 110.4 | 49% | 0.488 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -68.4 | -27.4 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | H201 S203 T209 | H201-A205 WeakPolarHBondContact O-CB 3.24Å; H201-A205 PolarHBondContact O-N 2.99Å; S203-A205 PolarHBondContact O-N 2.87Å; A205-T209 PolarHBondContact O-OG1 2.92Å |
| 206 | K | 53.9 | Low | 50.5 | Low | 163 Ų | 163 | 112.5 Ų | 112.5 | 71% | 0.709 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -74.6 | -32.2 | 177.5 | -150.6 | 169.5 | -176.4 | 177.2 | 0 | 112.1 | Q202 S203 A204 L208 T209 | Q202-K206 PolarHBondContact O-N 3.49Å; S203-K206 WeakPolarHBondContact O-CB 3.46Å; S203-K206 PolarHBondContact O-N 3.3Å; S203-K206 VanDerWaalsContact O-N 3.12Å; A204-K206 VanDerWaalsContact C-N 3.27Å; A204-K206 PolarHBondContact O-N 2.92Å; K206-L208 VanDerWaalsContact C-N 3.31Å; K206-L208 PolarHBondContact O-N 3.43Å; K206-T209 PolarHBondContact O-N 3.38Å; K206-T209 PolarHBondContact O-OG1 3.35Å |
| 207 | D | 54.4 | Low | 50.2 | Low | 131 Ų | 131 | 115.2 Ų | 115.2 | 70% | 0.701 | 67% | 0.667 | S | S | * | * | H | α-helix | trans | -70.3 | -25.7 | 175.3 | -69.6 | -24.6 | 0 | 0 | 0 | 112.9 | S203 A204 T209 | S203-D207 PolarHBondContact O-N 3.32Å; A204-D207 PolarHBondContact O-N 3.47Å; D207-T209 VanDerWaalsContact C-N 3.31Å; D207-T209 PolarHBondContact O-N 2.88Å |
| 208 | L | 53.3 | Low | 49 | Very low | 156 Ų | 156 | 116.4 Ų | 116.4 | 82% | 0.817 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -8.1 | 175.9 | -68.5 | 172.2 | 0 | 0 | 0 | 114.3 | K206 | K206-L208 VanDerWaalsContact C-N 3.31Å; K206-L208 PolarHBondContact O-N 3.43Å |
| 209 | T | 53.3 | Low | 48 | Very low | 122 Ų | 122 | 117.6 Ų | 117.6 | 75% | 0.748 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.8 | 0.4 | 173.8 | 22.4 | 0 | 0 | 0 | 0 | 113.6 | A205 K206 D207 | A205-T209 PolarHBondContact O-OG1 2.92Å; K206-T209 PolarHBondContact O-N 3.38Å; K206-T209 PolarHBondContact O-OG1 3.35Å; D207-T209 VanDerWaalsContact C-N 3.31Å; D207-T209 PolarHBondContact O-N 2.88Å |
| 210 | G | 49 | Very low | 47.4 | Very low | 60 Ų | 60 | 118.1 Ų | 118.1 | 62% | 0.619 | 70% | 0.7 | S | S | * | * | trans | -99 | 66.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 211 | S | 39 | Very low | 46.4 | Very low | 102 Ų | 102 | 120.7 Ų | 120.7 | 71% | 0.713 | 71% | 0.711 | S | S | * | * | trans | -79.9 | 134.8 | 166.9 | -174.3 | 0 | 0 | 0 | 0 | 110.3 | V213 | S211-V213 PolarHBondContact O-N 2.82Š| ||
| 212 | P | 44.1 | Very low | 45.7 | Very low | 117 Ų | 117 | 119.8 Ų | 119.8 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | trans | -79.9 | 108.3 | -176.1 | 31.4 | -31.1 | 0 | 0 | 0 | 110.4 | R214 | P212-R214 PolarHBondContact O-N 3.5Š| ||
| 213 | V | 34.6 | Very low | 44.7 | Very low | 143 Ų | 143 | 118.9 Ų | 118.9 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -80.7 | 103.8 | 167.9 | 178.5 | 0 | 0 | 0 | 0 | 108.8 | S211 | S211-V213 PolarHBondContact O-N 2.82Š| ||
| 214 | R | 38.8 | Very low | 43.7 | Very low | 252 Ų | 252 | 125.5 Ų | 125.5 | 95% | 0.951 | 74% | 0.736 | S | S | * | * | trans | -124 | 114.9 | 162.9 | -149.6 | -176.3 | -156.3 | -171.7 | 6.5 | 108.1 | P212 | P212-R214 PolarHBondContact O-N 3.5Š| ||
| 215 | G | 34.3 | Very low | 42.8 | Very low | 73 Ų | 73 | 131 Ų | 131 | 75% | 0.753 | 76% | 0.757 | S | S | * | * | trans | 147.9 | 114.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 216 | A | 35.6 | Very low | 42.2 | Very low | 101 Ų | 101 | 133.2 Ų | 133.2 | 84% | 0.835 | 77% | 0.766 | S | S | * | * | trans | -88.4 | -164.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 217 | P | 53.5 | Low | 41.2 | Very low | 122 Ų | 122 | 130.5 Ų | 130.5 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | -111 | 158.6 | -109.3 | 37.2 | -21.7 | 0 | 0 | 0 | 113.9 | |||||
| 218 | S | 31.4 | Very low | 40.2 | Very low | 113 Ų | 113 | 130.8 Ų | 130.8 | 79% | 0.79 | 77% | 0.774 | S | S | * | * | trans | -173.3 | 134 | 145.1 | -148.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 219 | T | 34.1 | Very low | 39.5 | Very low | 120 Ų | 120 | 127 Ų | 127 | 74% | 0.736 | 77% | 0.774 | S | S | * | * | trans | 71.1 | 103.8 | 139.6 | -58.9 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 220 | I | 43.8 | Very low | 38.7 | Very low | 146 Ų | 146 | 129.8 Ų | 129.8 | 75% | 0.749 | 78% | 0.778 | S | S | * | * | trans | -28.7 | 129.6 | 151.4 | -59.7 | 161.7 | 0 | 0 | 0 | 113.7 | ||||
| 221 | Q | 38.3 | Very low | 38.1 | Very low | 181 Ų | 181 | 138.3 Ų | 138.3 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -145.6 | 136.3 | 135.1 | -74.8 | -144.7 | 4.1 | 0 | 0 | 111.6 | ||||
| 222 | V | 38.8 | Very low | 38.2 | Very low | 99 Ų | 99 | 138.6 Ų | 138.6 | 60% | 0.6 | 79% | 0.794 | S | S | * | * | trans | -100.9 | 122.5 | 179.4 | 172 | 0 | 0 | 0 | 0 | 107.3 | Y224 | V222-Y224 HydrophobicContact CG1-CD2 3.85Å; V222-Y224 HydrophobicContact CG1-CE2 3.36Å | ||
| 223 | T | 39.2 | Very low | 38.2 | Very low | 124 Ų | 124 | 142.4 Ų | 142.4 | 76% | 0.761 | 80% | 0.798 | S | S | * | * | trans | -141.2 | 118.5 | 164.7 | -61 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 224 | Y | 36.4 | Very low | 38.8 | Very low | 198 Ų | 198 | 147.2 Ų | 147.2 | 78% | 0.776 | 80% | 0.801 | S | S | * | * | trans | -80.3 | 148 | 178.3 | -66.9 | -95.8 | 0 | 0 | 0 | 111.3 | V222 | V222-Y224 HydrophobicContact CG1-CD2 3.85Å; V222-Y224 HydrophobicContact CG1-CE2 3.36Å | ||
| 225 | L | 37.5 | Very low | 39.1 | Very low | 168 Ų | 168 | 140.3 Ų | 140.3 | 88% | 0.88 | 79% | 0.789 | S | S | * | * | trans | -148.9 | 145.3 | 145.9 | -105 | 132.2 | 0 | 0 | 0 | 111 | ||||
| 226 | P | 42 | Very low | 39.6 | Very low | 107 Ų | 107 | 147.2 Ų | 147.2 | 70% | 0.695 | 80% | 0.798 | S | S | * | * | trans | -110.2 | 157.5 | -160.9 | 36.4 | -22.8 | 0 | 0 | 0 | 114.9 | ||||
| 227 | S | 34.2 | Very low | 40 | Very low | 106 Ų | 106 | 149.6 Ų | 149.6 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | trans | 47.7 | 125.6 | 143.9 | -148.5 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 228 | T | 33.8 | Very low | 39.6 | Very low | 136 Ų | 136 | 152.5 Ų | 152.5 | 83% | 0.834 | 79% | 0.792 | S | S | * | * | -175.1 | 149.2 | 77.8 | 40.2 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 229 | G | 37.4 | Very low | 40.6 | Very low | 78 Ų | 78 | 153.7 Ų | 153.7 | 80% | 0.804 | 79% | 0.789 | S | S | * | * | trans | 152.4 | 65.5 | 164.9 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 230 | Q | 37.4 | Very low | 41.3 | Very low | 180 Ų | 180 | 154.7 Ų | 154.7 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | 43.1 | 105.2 | 148.1 | -70.7 | -116.9 | -40.4 | 0 | 0 | 123.5 | ||||
| 231 | R | 36.9 | Very low | 41.4 | Very low | 238 Ų | 238 | 156.2 Ų | 156.2 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | 23.7 | 128.1 | 128.5 | -77.4 | -178.9 | 169.8 | 171.3 | -1.8 | 121.1 | |||||
| 232 | S | 40.5 | Very low | 41.8 | Very low | 109 Ų | 109 | 155.9 Ų | 155.9 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | -165.8 | 104.8 | 119.4 | -170.6 | 0 | 0 | 0 | 0 | 114.7 | |||||
| 233 | K | 43.7 | Very low | 42 | Very low | 196 Ų | 196 | 156 Ų | 156 | 85% | 0.852 | 80% | 0.795 | S | S | * | * | trans | 42.4 | 107.6 | 137.9 | -57.3 | 179.2 | -179.2 | 177.4 | 0 | 122.5 | ||||
| 234 | R | 46.6 | Very low | 42.3 | Very low | 244 Ų | 244 | 160.7 Ų | 160.7 | 92% | 0.921 | 81% | 0.805 | S | S | * | * | 40.3 | 166.2 | 125.3 | -87.4 | -170.4 | 179.2 | 176.9 | -0.3 | 121.3 | |||||
| 235 | P | 45 | Very low | 43 | Very low | 107 Ų | 107 | 159.4 Ų | 159.4 | 70% | 0.695 | 80% | 0.803 | S | S | * | * | cis | -131.9 | 141 | -48.1 | 35.1 | -17.5 | 0 | 0 | 0 | 111.5 | H237 | P235-H237 PolarHBondContact O-N 3.04Š| ||
| 236 | K | 46.1 | Very low | 43.4 | Very low | 219 Ų | 219 | 157.9 Ų | 157.9 | 95% | 0.952 | 80% | 0.796 | S | S | * | * | trans | -89.9 | 105.3 | 167.7 | -76.5 | -173.9 | -178.9 | 176.8 | 0 | 110.2 | F238 | K236-F238 PolarHBondContact O-N 3.2Š| ||
| 237 | H | 43.5 | Very low | 43.4 | Very low | 150 Ų | 150 | 160 Ų | 160 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | trans | -40.3 | 121.1 | 170.4 | -170.8 | -106.7 | 0 | 0 | 0 | 112.6 | P235 L239 | P235-H237 PolarHBondContact O-N 3.04Å; H237-L239 WeakPolarHBondContact ND1-CD1 3.32Å; H237-L239 WeakPolarHBondContact ND1-CG 3.3Å; H237-L239 PolarHBondContact O-N 3.3Å | ||
| 238 | F | 45.5 | Very low | 43.7 | Very low | 183 Ų | 183 | 165.9 Ų | 165.9 | 80% | 0.803 | 81% | 0.809 | S | S | * | * | trans | -70.1 | 101.6 | 166.7 | -158.9 | -96.1 | 0 | 0 | 0 | 106.9 | K236 E240 | K236-F238 PolarHBondContact O-N 3.2Å; F238-E240 HydrophobicContact CD1-CG 3.98Å; F238-E240 HydrophobicContact CE1-CG 4.02Å | ||
| 239 | L | 51.8 | Low | 44.4 | Very low | 139 Ų | 139 | 166.6 Ų | 166.6 | 73% | 0.728 | 81% | 0.808 | S | S | * | * | trans | -93.6 | 99.1 | 165.8 | -102.6 | 154.2 | 0 | 0 | 0 | 107.5 | H237 L241 | H237-L239 WeakPolarHBondContact ND1-CD1 3.32Å; H237-L239 WeakPolarHBondContact ND1-CG 3.3Å; H237-L239 PolarHBondContact O-N 3.3Å; L239-L241 PolarHBondContact O-N 2.93Å | ||
| 240 | E | 48.3 | Very low | 44.7 | Very low | 141 Ų | 141 | 169.6 Ų | 169.6 | 66% | 0.659 | 81% | 0.811 | S | S | * | * | trans | -47.7 | 114.5 | 162.3 | -70.7 | -180 | 140.7 | 0 | 0 | 109.5 | F238 K242 | F238-E240 HydrophobicContact CD1-CG 3.98Å; F238-E240 HydrophobicContact CE1-CG 4.02Å; E240-K242 PolarHBondContact O-N 3.13Å | ||
| 241 | L | 46.9 | Very low | 45 | Very low | 178 Ų | 178 | 167.8 Ų | 167.8 | 93% | 0.932 | 81% | 0.806 | S | S | * | * | trans | -74.2 | 85.6 | 160.3 | -84.4 | 156.5 | 0 | 0 | 0 | 107.3 | L239 S243 | L239-L241 PolarHBondContact O-N 2.93Å; L241-S243 PolarHBondContact O-N 3.05Å | ||
| 242 | K | 46 | Very low | 45.5 | Very low | 174 Ų | 174 | 165.7 Ų | 165.7 | 76% | 0.757 | 81% | 0.807 | S | S | * | * | trans | -69.8 | 119.9 | 170 | -148.9 | 167.4 | -173 | 168.6 | 0 | 108 | E240 F244 | E240-K242 PolarHBondContact O-N 3.13Å; K242-F244 PolarHBondContact O-N 3.46Å | ||
| 243 | S | 43.3 | Very low | 45.6 | Very low | 101 Ų | 101 | 165.6 Ų | 165.6 | 71% | 0.706 | 81% | 0.806 | S | S | * | * | trans | -51.5 | 119.1 | -179.3 | 56.5 | 0 | 0 | 0 | 0 | 112.1 | L241 K245 | L241-S243 PolarHBondContact O-N 3.05Å; S243-K245 VanDerWaalsContact C-N 3.28Å; S243-K245 PolarHBondContact O-N 3.2Å | ||
| 244 | F | 44.6 | Very low | 45.5 | Very low | 223 Ų | 223 | 163 Ų | 163 | 98% | 0.978 | 81% | 0.807 | S | S | * | * | trans | -79.7 | 81.6 | 164.8 | -108.3 | -94.8 | 0 | 0 | 0 | 109 | K242 | K242-F244 PolarHBondContact O-N 3.46Š| ||
| 245 | K | 52.5 | Low | 45.2 | Very low | 170 Ų | 170 | 162.8 Ų | 162.8 | 74% | 0.739 | 82% | 0.823 | S | S | * | * | trans | -135.1 | 132.8 | 163.6 | -162.2 | 96 | 178.1 | -176.3 | 0 | 105.4 | S243 | S243-K245 VanDerWaalsContact C-N 3.28Å; S243-K245 PolarHBondContact O-N 3.2Å | ||
| 246 | D | 44.8 | Very low | 45.2 | Very low | 137 Ų | 137 | 165.6 Ų | 165.6 | 73% | 0.733 | 83% | 0.829 | S | S | * | * | trans | 85.3 | 94.2 | 175.4 | -47.4 | -30.3 | 0 | 0 | 0 | 116 | ||||
| 247 | N | 42.9 | Very low | 45.2 | Very low | 151 Ų | 151 | 162.8 Ų | 162.8 | 81% | 0.807 | 82% | 0.823 | S | S | * | * | trans | -167.8 | 71 | 140.7 | -93 | -40.6 | 0 | 0 | 0 | 110.2 | ||||
| 248 | Y | 40.4 | Very low | 45.2 | Very low | 230 Ų | 230 | 163.5 Ų | 163.5 | 90% | 0.902 | 83% | 0.83 | S | S | * | * | trans | -132.8 | 84.1 | 153.5 | -86.2 | -80.1 | 0 | 0 | 0 | 106.8 | ||||
| 249 | N | 47.4 | Very low | 45.2 | Very low | 151 Ų | 151 | 162.4 Ų | 162.4 | 81% | 0.807 | 83% | 0.831 | S | S | * | * | trans | -174.6 | 80.9 | 157.4 | -91.4 | -20.3 | 0 | 0 | 0 | 108.7 | ||||
| 250 | T | 44.7 | Very low | 44.8 | Very low | 140 Ų | 140 | 163.8 Ų | 163.8 | 86% | 0.859 | 84% | 0.838 | S | S | * | * | trans | -133.9 | 94.9 | 151.5 | -27.6 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 251 | L | 44.1 | Very low | 44.6 | Very low | 143 Ų | 143 | 165.3 Ų | 165.3 | 75% | 0.749 | 85% | 0.85 | S | S | * | * | trans | -40.1 | 135.5 | 165.2 | -60.3 | 160 | 0 | 0 | 0 | 109.9 | S253 | L251-S253 PolarHBondContact O-N 3.36Š| ||
| 252 | E | 47.1 | Very low | 44.4 | Very low | 193 Ų | 193 | 164.4 Ų | 164.4 | 90% | 0.902 | 84% | 0.844 | S | S | * | * | 29.6 | 82.1 | 92.6 | -73.1 | -145 | 170.3 | 0 | 0 | 112.4 | |||||
| 253 | S | 43 | Very low | 44.3 | Very low | 107 Ų | 107 | 163.7 Ų | 163.7 | 75% | 0.748 | 85% | 0.851 | S | S | * | * | trans | -173.5 | 85.2 | 149.2 | 179.5 | 0 | 0 | 0 | 0 | 109.5 | L251 | L251-S253 PolarHBondContact O-N 3.36Š| ||
| 254 | T | 41.1 | Very low | 44.4 | Very low | 143 Ų | 143 | 168.9 Ų | 168.9 | 88% | 0.877 | 86% | 0.863 | S | S | * | * | trans | -139.7 | 116.8 | 142.9 | -19.4 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 255 | L | 40.1 | Very low | 44.4 | Very low | 239 Ų | 239 | 164 Ų | 164 | 100% | 1.251 | 85% | 0.852 | S | S | * | * | trans | -43.1 | 0 | 163.2 | -75.5 | 146.5 | 0 | 0 | 0 | 112.8 |
Retrieved 255 of 255 residues in 328.6 ms
(Link to these results)