| 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 | 43.5 | Very low | 57.7 | Low | 240 Ų | 240 | 114.4 Ų | 114.4 | 100% | 1.182 | 69% | 0.686 | S | S | * | * | 0 | 113.8 | 0 | -80.1 | -86.7 | -175.9 | 0 | 0 | 107.6 | |||||
| 2 | S | 49.4 | Very low | 59.6 | Low | 96 Ų | 96 | 117.3 Ų | 117.3 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | trans | 59.9 | 108.6 | 169.6 | -64.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 3 | T | 45.9 | Very low | 61.7 | Low | 135 Ų | 135 | 116.5 Ų | 116.5 | 83% | 0.828 | 67% | 0.666 | S | S | * | * | cis | 43.2 | 75.4 | 16.5 | 66.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 4 | T | 50.5 | Low | 63.5 | Low | 129 Ų | 129 | 115.9 Ų | 115.9 | 79% | 0.791 | 66% | 0.655 | S | S | * | * | trans | 162.4 | 101.6 | 152.8 | 37.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 5 | G | 50.2 | Low | 65.1 | Low | 68 Ų | 68 | 117.4 Ų | 117.4 | 70% | 0.701 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -177.7 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||
| 6 | D | 54.4 | Low | 66.7 | Low | 120 Ų | 120 | 113.9 Ų | 113.9 | 64% | 0.642 | 63% | 0.63 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90 | -7.1 | -167.9 | -160.9 | 28.9 | 0 | 0 | 0 | 115.2 | G8 S9 S10 | D6-G8 PolarHBondContact O-N 3.36Å; D6-S9 PolarHBondContact O-N 3.19Å; D6-S9 WeakPolarHBondContact OD1-CB 3.47Å; D6-S10 PolarHBondContact O-N 3.36Å |
| 7 | H | 54.4 | Low | 68 | Low | 147 Ų | 147 | 116.4 Ų | 116.4 | 68% | 0.681 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -65.9 | -22.7 | 177.7 | -65.9 | 75.4 | 0 | 0 | 0 | 112.4 | K11 | H7-K11 WeakPolarHBondContact O-CB 3.41Å; H7-K11 VanDerWaalsContact O-CG 3.25Å; H7-K11 WeakPolarHBondContact O-CG 3.34Å; H7-K11 PolarHBondContact O-N 3.1Å |
| 8 | G | 61.6 | Low | 69.4 | Low | 51 Ų | 51 | 116.3 Ų | 116.3 | 53% | 0.526 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -71.8 | -39.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | D6 Y12 | D6-G8 PolarHBondContact O-N 3.36Å; G8-Y12 VanDerWaalsContact O-CB 3.24Å; G8-Y12 WeakPolarHBondContact O-CB 3.45Å; G8-Y12 PolarHBondContact O-N 3.12Å |
| 9 | S | 65.3 | Low | 70.6 | Confident | 67 Ų | 67 | 115.4 Ų | 115.4 | 47% | 0.469 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -66.6 | -47.3 | 177.9 | 178 | 0 | 0 | 0 | 0 | 111.3 | D6 Y12 M13 | D6-S9 PolarHBondContact O-N 3.19Å; D6-S9 WeakPolarHBondContact OD1-CB 3.47Å; S9-Y12 PolarHBondContact O-N 3.29Å; S9-M13 VanDerWaalsContact O-CG 3.29Å; S9-M13 WeakPolarHBondContact O-CG 3.48Å; S9-M13 PolarHBondContact O-N 2.89Å |
| 10 | S | 76.8 | Confident | 71.7 | Confident | 62 Ų | 62 | 115 Ų | 115 | 43% | 0.434 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -63.2 | -47.1 | 178.3 | -172.6 | 0 | 0 | 0 | 0 | 112.7 | D6 Y12 M13 E14 | D6-S10 PolarHBondContact O-N 3.36Å; S10-Y12 VanDerWaalsContact C-N 3.31Å; S10-Y12 PolarHBondContact O-N 3.1Å; S10-M13 PolarHBondContact O-N 3.16Å; S10-E14 PolarHBondContact O-N 3.2Å |
| 11 | K | 82.5 | Confident | 72.7 | Confident | 143 Ų | 143 | 114.2 Ų | 114.2 | 62% | 0.622 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -61.9 | -36.9 | 175.7 | -75.3 | 179.7 | 179.5 | -176.4 | 0 | 112.7 | H7 K15 | H7-K11 WeakPolarHBondContact O-CB 3.41Å; H7-K11 VanDerWaalsContact O-CG 3.25Å; H7-K11 WeakPolarHBondContact O-CG 3.34Å; H7-K11 PolarHBondContact O-N 3.1Å; K11-K15 WeakPolarHBondContact O-CB 3.39Å; K11-K15 PolarHBondContact O-N 3.33Å |
| 12 | Y | 81.4 | Confident | 75.1 | Confident | 150 Ų | 150 | 110.7 Ų | 110.7 | 59% | 0.588 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64 | -45.6 | 174.8 | 175.1 | -96.2 | 0 | 0 | 0 | 111.3 | G8 S9 S10 K15 L16 | G8-Y12 VanDerWaalsContact O-CB 3.24Å; G8-Y12 WeakPolarHBondContact O-CB 3.45Å; G8-Y12 PolarHBondContact O-N 3.12Å; S9-Y12 PolarHBondContact O-N 3.29Å; S10-Y12 VanDerWaalsContact C-N 3.31Å; S10-Y12 PolarHBondContact O-N 3.1Å; Y12-K15 PolarHBondContact O-N 3.23Å; Y12-L16 HydrophobicContact CE1-CD1 3.82Å; Y12-L16 WeakPolarHBondContact O-CB 3.43Å; Y12-L16 PolarHBondContact O-N 3.11Å |
| 13 | M | 86.4 | Confident | 77.2 | Confident | 106 Ų | 106 | 109.3 Ų | 109.3 | 52% | 0.522 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66.1 | -37.9 | 178.7 | -68.4 | -66.1 | -95.6 | 0 | 0 | 112.5 | S9 S10 L16 R17 | S9-M13 VanDerWaalsContact O-CG 3.29Å; S9-M13 WeakPolarHBondContact O-CG 3.48Å; S9-M13 PolarHBondContact O-N 2.89Å; S10-M13 PolarHBondContact O-N 3.16Å; M13-L16 PolarHBondContact O-N 3.26Å; M13-R17 WeakPolarHBondContact O-CB 3.44Å; M13-R17 PolarHBondContact O-N 3.01Å |
| 14 | E | 86.7 | Confident | 79.5 | Confident | 109 Ų | 109 | 106.6 Ų | 106.6 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -62.8 | -47.7 | 171.8 | -77.1 | 177.1 | 171.4 | 0 | 0 | 111.9 | S10 L16 R17 E18 | S10-E14 PolarHBondContact O-N 3.2Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 3.25Å; E14-R17 WeakPolarHBondContact O-CB 3.32Å; E14-R17 PolarHBondContact O-N 2.91Å; E14-E18 PolarHBondContact O-N 3.43Å |
| 15 | K | 88 | Confident | 81.6 | Confident | 138 Ų | 138 | 106.4 Ų | 106.4 | 60% | 0.6 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.1 | -36.9 | 176.9 | -172.1 | 167.8 | -175.7 | 173.2 | 0 | 112.2 | K11 Y12 E18 L19 | K11-K15 WeakPolarHBondContact O-CB 3.39Å; K11-K15 PolarHBondContact O-N 3.33Å; Y12-K15 PolarHBondContact O-N 3.23Å; K15-E18 PolarHBondContact O-N 3.03Å; K15-L19 HydrophobicContact CG-CD1 4.43Å; K15-L19 WeakPolarHBondContact O-CB 3.46Å; K15-L19 VanDerWaalsContact O-CG 3.29Å; K15-L19 WeakPolarHBondContact O-CG 3.34Å; K15-L19 PolarHBondContact O-N 3.46Å |
| 16 | L | 89.9 | Confident | 83.7 | Confident | 61 Ų | 61 | 105.2 Ų | 105.2 | 32% | 0.319 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.5 | -40.6 | 175.9 | -160.7 | 128 | 0 | 0 | 0 | 111.1 | Y12 M13 E14 L19 H20 | Y12-L16 HydrophobicContact CE1-CD1 3.82Å; Y12-L16 WeakPolarHBondContact O-CB 3.43Å; Y12-L16 PolarHBondContact O-N 3.11Å; M13-L16 PolarHBondContact O-N 3.26Å; E14-L16 VanDerWaalsContact C-N 3.29Å; E14-L16 PolarHBondContact O-N 3.25Å; L16-L19 PolarHBondContact O-N 3.24Å; L16-H20 WeakPolarHBondContact CD2-NE2 3.37Å; L16-H20 PolarHBondContact O-CD2 2.86Å; L16-H20 PolarHBondContact O-N 3.27Å |
| 17 | R | 90.1 | Very high | 85.5 | Confident | 157 Ų | 157 | 107.7 Ų | 107.7 | 59% | 0.592 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -43.3 | 174.1 | -162.1 | -171 | -64.5 | 128.4 | -3 | 111.8 | M13 E14 H20 L21 | M13-R17 WeakPolarHBondContact O-CB 3.44Å; M13-R17 PolarHBondContact O-N 3.01Å; E14-R17 WeakPolarHBondContact O-CB 3.32Å; E14-R17 PolarHBondContact O-N 2.91Å; R17-H20 PolarHBondContact O-N 3.01Å; R17-L21 WeakPolarHBondContact O-CG 3.22Å; R17-L21 PolarHBondContact O-N 2.91Å |
| 18 | E | 92.4 | Very high | 87.5 | Confident | 114 Ų | 114 | 107.7 Ų | 107.7 | 53% | 0.533 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -45.4 | 174.3 | -170.9 | -169.6 | 164.8 | 0 | 0 | 111.5 | E14 K15 H20 L21 R22 | E14-E18 PolarHBondContact O-N 3.43Å; K15-E18 PolarHBondContact O-N 3.03Å; E18-H20 VanDerWaalsContact C-N 3.35Å; E18-H20 PolarHBondContact O-N 2.74Å; E18-L21 PolarHBondContact O-N 3.26Å; E18-R22 WeakPolarHBondContact O-CB 3.45Å; E18-R22 PolarHBondContact O-N 3.17Å |
| 19 | L | 92 | Very high | 89 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 52% | 0.518 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 175.2 | -77.5 | 168 | 0 | 0 | 0 | 111.9 | K15 L16 R22 V23 | K15-L19 HydrophobicContact CG-CD1 4.43Å; K15-L19 WeakPolarHBondContact O-CB 3.46Å; K15-L19 VanDerWaalsContact O-CG 3.29Å; K15-L19 WeakPolarHBondContact O-CG 3.34Å; K15-L19 PolarHBondContact O-N 3.46Å; L16-L19 PolarHBondContact O-N 3.24Å; L19-R22 PolarHBondContact O-N 3.24Å; L19-V23 WeakPolarHBondContact O-CB 3.5Å; L19-V23 VanDerWaalsContact O-CG2 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.32Å |
| 20 | H | 93 | Very high | 90.4 | Very high | 108 Ų | 108 | 109.1 Ų | 109.1 | 50% | 0.5 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63 | -40.9 | 175.6 | -81 | -63.9 | 0 | 0 | 0 | 112.7 | L16 R17 E18 V23 N24 | L16-H20 WeakPolarHBondContact CD2-NE2 3.37Å; L16-H20 PolarHBondContact O-CD2 2.86Å; L16-H20 PolarHBondContact O-N 3.27Å; R17-H20 PolarHBondContact O-N 3.01Å; E18-H20 VanDerWaalsContact C-N 3.35Å; E18-H20 PolarHBondContact O-N 2.74Å; H20-V23 PolarHBondContact O-N 3.08Å; H20-N24 WeakPolarHBondContact O-CB 3.49Å; H20-N24 VanDerWaalsContact O-CG 3.26Å; H20-N24 PolarHBondContact O-N 3.37Å; H20-N24 PolarHBondContact O-ND2 3.3Å |
| 21 | L | 93.7 | Very high | 91.2 | Very high | 99 Ų | 99 | 112.1 Ų | 112.1 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.6 | -47.1 | 174 | -74.3 | 167.7 | 0 | 0 | 0 | 110.8 | R17 E18 V23 N24 E25 | R17-L21 WeakPolarHBondContact O-CG 3.22Å; R17-L21 PolarHBondContact O-N 2.91Å; E18-L21 PolarHBondContact O-N 3.26Å; L21-V23 PolarHBondContact O-N 3.47Å; L21-N24 CarbonylContact O-C 3.56Å; L21-N24 WeakPolarHBondContact O-CB 3.4Å; L21-N24 PolarHBondContact O-N 2.95Å; L21-N24 VanDerWaalsContact O-N 3.1Å; L21-E25 WeakPolarHBondContact O-CG 3.32Å; L21-E25 PolarHBondContact O-N 3.17Å |
| 22 | R | 92.5 | Very high | 91.8 | Very high | 165 Ų | 165 | 109.9 Ų | 109.9 | 62% | 0.623 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64.8 | -37 | 179.4 | -157.5 | 169.3 | -173.8 | 132.7 | 0.7 | 112.9 | E18 L19 E25 A26 | E18-R22 WeakPolarHBondContact O-CB 3.45Å; E18-R22 PolarHBondContact O-N 3.17Å; L19-R22 PolarHBondContact O-N 3.24Å; R22-E25 PolarHBondContact O-N 2.89Å; R22-A26 VanDerWaalsContact O-CB 3.31Å; R22-A26 WeakPolarHBondContact O-CB 3.41Å; R22-A26 PolarHBondContact O-N 3.26Å |
| 23 | V | 94.1 | Very high | 92.3 | Very high | 67 Ų | 67 | 108.9 Ų | 108.9 | 41% | 0.406 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66.3 | -40.2 | 172.1 | 169.1 | 0 | 0 | 0 | 0 | 110.8 | L19 H20 L21 A26 R27 | L19-V23 WeakPolarHBondContact O-CB 3.5Å; L19-V23 VanDerWaalsContact O-CG2 3.25Å; L19-V23 WeakPolarHBondContact O-CG2 3.45Å; L19-V23 PolarHBondContact O-N 3.32Å; H20-V23 PolarHBondContact O-N 3.08Å; L21-V23 PolarHBondContact O-N 3.47Å; V23-A26 PolarHBondContact O-N 3.33Å; V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.49Å; V23-R27 PolarHBondContact O-N 2.99Å |
| 24 | N | 93.9 | Very high | 92.7 | Very high | 78 Ų | 78 | 108 Ų | 108 | 42% | 0.417 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68.1 | -39.5 | 176.1 | -76.7 | -22.1 | 0 | 0 | 0 | 112.2 | H20 L21 R27 K28 | H20-N24 WeakPolarHBondContact O-CB 3.49Å; H20-N24 VanDerWaalsContact O-CG 3.26Å; H20-N24 PolarHBondContact O-N 3.37Å; H20-N24 PolarHBondContact O-ND2 3.3Å; L21-N24 CarbonylContact O-C 3.56Å; L21-N24 WeakPolarHBondContact O-CB 3.4Å; L21-N24 PolarHBondContact O-N 2.95Å; L21-N24 VanDerWaalsContact O-N 3.1Å; N24-R27 PolarHBondContact O-N 3.42Å; N24-K28 WeakPolarHBondContact O-CB 3.23Å; N24-K28 WeakPolarHBondContact O-CG 3.28Å; N24-K28 PolarHBondContact O-N 3.05Å |
| 25 | E | 94.8 | Very high | 93.1 | Very high | 125 Ų | 125 | 105.2 Ų | 105.2 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.8 | -49.2 | 172.1 | -74.3 | 171.1 | 179.4 | 0 | 0 | 111 | L21 R22 R27 K28 S29 | L21-E25 WeakPolarHBondContact O-CG 3.32Å; L21-E25 PolarHBondContact O-N 3.17Å; R22-E25 PolarHBondContact O-N 2.89Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.46Å; E25-K28 PolarHBondContact O-N 3.37Å; E25-K28 VanDerWaalsContact O-N 3.16Å; E25-S29 PolarHBondContact O-N 2.95Å; E25-S29 PolarHBondContact O-OG 3.09Å |
| 26 | A | 94.2 | Very high | 93.2 | Very high | 44 Ų | 44 | 103 Ų | 103 | 36% | 0.364 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.8 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | R22 V23 S29 N30 | R22-A26 VanDerWaalsContact O-CB 3.31Å; R22-A26 WeakPolarHBondContact O-CB 3.41Å; R22-A26 PolarHBondContact O-N 3.26Å; V23-A26 PolarHBondContact O-N 3.33Å; A26-S29 WeakPolarHBondContact CA-OG 3.48Å; A26-S29 PolarHBondContact O-OG 3.05Å; A26-N30 VanDerWaalsContact O-CB 3.26Å; A26-N30 WeakPolarHBondContact O-CB 3.3Å; A26-N30 PolarHBondContact O-N 2.91Å; A26-N30 PolarHBondContact O-ND2 2.94Å; A26-N30 PolarHBondContact O-OD1 3.37Å |
| 27 | R | 92.6 | Very high | 93.2 | Very high | 172 Ų | 172 | 106.6 Ų | 106.6 | 65% | 0.649 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.4 | -43.6 | 174 | -78.5 | 177.8 | -174.9 | -171 | 1.8 | 111.6 | V23 N24 E25 H31 | V23-R27 WeakPolarHBondContact O-CB 3.43Å; V23-R27 VanDerWaalsContact O-CG 3.28Å; V23-R27 WeakPolarHBondContact O-CG 3.49Å; V23-R27 PolarHBondContact O-N 2.99Å; N24-R27 PolarHBondContact O-N 3.42Å; E25-R27 VanDerWaalsContact C-N 3.33Å; E25-R27 PolarHBondContact O-N 3.46Å; R27-H31 VanDerWaalsContact O-CB 3.31Å; R27-H31 WeakPolarHBondContact O-CB 3.42Å; R27-H31 PolarHBondContact O-N 3.03Å |
| 28 | K | 95.5 | Very high | 93.4 | Very high | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.635 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.2 | -46.6 | 177.4 | -75.8 | 177.9 | -178.1 | -177.8 | 0 | 111.7 | N24 E25 N30 H31 I32 | N24-K28 WeakPolarHBondContact O-CB 3.23Å; N24-K28 WeakPolarHBondContact O-CG 3.28Å; N24-K28 PolarHBondContact O-N 3.05Å; E25-K28 PolarHBondContact O-N 3.37Å; E25-K28 VanDerWaalsContact O-N 3.16Å; K28-N30 PolarHBondContact O-N 3.48Å; K28-H31 PolarHBondContact O-N 3.26Å; K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.2Å |
| 29 | S | 94 | Very high | 93.3 | Very high | 54 Ų | 54 | 103.3 Ų | 103.3 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 178.7 | 63.9 | 0 | 0 | 0 | 0 | 111.5 | E25 A26 I32 Q33 | E25-S29 PolarHBondContact O-N 2.95Å; E25-S29 PolarHBondContact O-OG 3.09Å; A26-S29 WeakPolarHBondContact CA-OG 3.48Å; A26-S29 PolarHBondContact O-OG 3.05Å; S29-I32 PolarHBondContact O-N 2.99Å; S29-Q33 WeakPolarHBondContact O-CG 3.46Å; S29-Q33 PolarHBondContact O-N 3.22Å |
| 30 | N | 93.5 | Very high | 92.9 | Very high | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.6 | -42.7 | 176.5 | -68.9 | -4 | 0 | 0 | 0 | 111.2 | A26 K28 I32 Q33 V34 | A26-N30 VanDerWaalsContact O-CB 3.26Å; A26-N30 WeakPolarHBondContact O-CB 3.3Å; A26-N30 PolarHBondContact O-N 2.91Å; A26-N30 PolarHBondContact O-ND2 2.94Å; A26-N30 PolarHBondContact O-OD1 3.37Å; K28-N30 PolarHBondContact O-N 3.48Å; N30-I32 PolarHBondContact O-N 3.4Å; N30-Q33 PolarHBondContact O-N 2.91Å; N30-V34 WeakPolarHBondContact O-CB 3.41Å; N30-V34 VanDerWaalsContact O-CG2 3.28Å; N30-V34 WeakPolarHBondContact O-CG2 3.36Å; N30-V34 PolarHBondContact O-N 3.46Å |
| 31 | H | 93.3 | Very high | 92.6 | Very high | 126 Ų | 126 | 106.1 Ų | 106.1 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.8 | -43.8 | 176.6 | -178.3 | 60.4 | 0 | 0 | 0 | 112 | R27 K28 Q33 V34 V35 | R27-H31 VanDerWaalsContact O-CB 3.31Å; R27-H31 WeakPolarHBondContact O-CB 3.42Å; R27-H31 PolarHBondContact O-N 3.03Å; K28-H31 PolarHBondContact O-N 3.26Å; H31-Q33 PolarHBondContact O-N 2.96Å; H31-V34 PolarHBondContact O-N 3.14Å; H31-V35 WeakPolarHBondContact O-CB 3.28Å; H31-V35 VanDerWaalsContact O-CG2 3.26Å; H31-V35 WeakPolarHBondContact O-CG2 3.49Å; H31-V35 PolarHBondContact O-N 3.05Å |
| 32 | I | 95.4 | Very high | 92.4 | Very high | 96 Ų | 96 | 108.4 Ų | 108.4 | 49% | 0.492 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.6 | -46.8 | 175.9 | -68.7 | 163.7 | 0 | 0 | 0 | 110.5 | K28 S29 N30 V35 E36 | K28-I32 VanDerWaalsContact O-CG1 3.27Å; K28-I32 WeakPolarHBondContact O-CG1 3.3Å; K28-I32 PolarHBondContact O-N 3.2Å; S29-I32 PolarHBondContact O-N 2.99Å; N30-I32 PolarHBondContact O-N 3.4Å; I32-V35 PolarHBondContact O-N 3.41Å; I32-E36 PolarHBondContact O-N 3.46Å |
| 33 | Q | 93.1 | Very high | 92.2 | Very high | 128 Ų | 128 | 103.5 Ų | 103.5 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.9 | -42.6 | 179 | -72.9 | -167.2 | 2.7 | 0 | 0 | 112.7 | S29 N30 H31 V35 E36 E37 | S29-Q33 WeakPolarHBondContact O-CG 3.46Å; S29-Q33 PolarHBondContact O-N 3.22Å; N30-Q33 PolarHBondContact O-N 2.91Å; H31-Q33 PolarHBondContact O-N 2.96Å; Q33-V35 VanDerWaalsContact C-N 3.31Å; Q33-V35 PolarHBondContact O-N 2.87Å; Q33-E36 PolarHBondContact O-N 3.02Å; Q33-E37 WeakPolarHBondContact O-CB 3.38Å; Q33-E37 PolarHBondContact O-N 3.16Å |
| 34 | V | 94.5 | Very high | 91.9 | Very high | 87 Ų | 87 | 103.7 Ų | 103.7 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.2 | -41.2 | 175.5 | 169.5 | 0 | 0 | 0 | 0 | 111 | N30 H31 E37 D38 | N30-V34 WeakPolarHBondContact O-CB 3.41Å; N30-V34 VanDerWaalsContact O-CG2 3.28Å; N30-V34 WeakPolarHBondContact O-CG2 3.36Å; N30-V34 PolarHBondContact O-N 3.46Å; H31-V34 PolarHBondContact O-N 3.14Å; V34-E37 PolarHBondContact O-N 2.67Å; V34-D38 WeakPolarHBondContact O-CB 3.36Å; V34-D38 PolarHBondContact O-N 3.15Å |
| 35 | V | 94.8 | Very high | 91.5 | Very high | 51 Ų | 51 | 106.4 Ų | 106.4 | 31% | 0.309 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -67.4 | -39 | 176.4 | 169.7 | 0 | 0 | 0 | 0 | 111.7 | H31 I32 Q33 K39 | H31-V35 WeakPolarHBondContact O-CB 3.28Å; H31-V35 VanDerWaalsContact O-CG2 3.26Å; H31-V35 WeakPolarHBondContact O-CG2 3.49Å; H31-V35 PolarHBondContact O-N 3.05Å; I32-V35 PolarHBondContact O-N 3.41Å; Q33-V35 VanDerWaalsContact C-N 3.31Å; Q33-V35 PolarHBondContact O-N 2.87Å; V35-K39 HydrophobicContact CG1-CD 4.37Å; V35-K39 VanDerWaalsContact O-CG 3.27Å; V35-K39 WeakPolarHBondContact O-CG 3.34Å; V35-K39 PolarHBondContact O-N 3.13Å |
| 36 | E | 90.9 | Very high | 91.3 | Very high | 91 Ų | 91 | 104.5 Ų | 104.5 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.5 | -39.4 | 175.2 | -77.6 | -171.5 | 178.9 | 0 | 0 | 112.7 | I32 Q33 K39 R40 | I32-E36 PolarHBondContact O-N 3.46Å; Q33-E36 PolarHBondContact O-N 3.02Å; E36-K39 WeakPolarHBondContact O-CB 3.39Å; E36-K39 PolarHBondContact O-N 3.48Å; E36-R40 WeakPolarHBondContact O-CG 3.37Å; E36-R40 PolarHBondContact O-N 3.24Å |
| 37 | E | 90 | Very high | 91 | Very high | 137 Ų | 137 | 107.2 Ų | 107.2 | 64% | 0.64 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64.9 | -44.1 | 175.3 | -171 | 177.3 | -170.1 | 0 | 0 | 111.3 | Q33 V34 K39 R40 S41 | Q33-E37 WeakPolarHBondContact O-CB 3.38Å; Q33-E37 PolarHBondContact O-N 3.16Å; V34-E37 PolarHBondContact O-N 2.67Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.72Å; E37-R40 CarbonylContact O-C 3.47Å; E37-R40 PolarHBondContact O-N 3.09Å; E37-R40 VanDerWaalsContact O-N 3.14Å; E37-S41 PolarHBondContact O-N 3.4Å |
| 38 | D | 92.3 | Very high | 90.7 | Very high | 70 Ų | 70 | 105.3 Ų | 105.3 | 37% | 0.374 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -37 | 174 | 179.1 | 67.4 | 0 | 0 | 0 | 112.3 | V34 S41 K42 | V34-D38 WeakPolarHBondContact O-CB 3.36Å; V34-D38 PolarHBondContact O-N 3.15Å; D38-S41 WeakPolarHBondContact CA-OG 3.45Å; D38-S41 PolarHBondContact O-OG 3.16Å; D38-K42 VanDerWaalsContact CG-NZ 3.34Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 WeakPolarHBondContact O-CD 3.42Å; D38-K42 VanDerWaalsContact O-CG 3.24Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.97Å; D38-K42 WeakPolarHBondContact OD1-CE 3.29Å; D38-K42 IonicContact OD1-NZ 3.11Å; D38-K42 PolarHBondContact OD1-NZ 2.92Å; D38-K42 VanDerWaalsContact OD2-CE 3.29Å; D38-K42 WeakPolarHBondContact OD2-CE 3.41Å; D38-K42 IonicContact OD2-NZ 3.11Å; D38-K42 PolarHBondContact OD2-NZ 2.88Å |
| 39 | K | 90.3 | Very high | 90.4 | Very high | 132 Ų | 132 | 102.8 Ų | 102.8 | 57% | 0.574 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62 | -48 | 170.4 | -75.7 | 171.3 | -175.9 | 177 | 0 | 110.8 | V35 E36 E37 S41 K42 L43 | V35-K39 HydrophobicContact CG1-CD 4.37Å; V35-K39 VanDerWaalsContact O-CG 3.27Å; V35-K39 WeakPolarHBondContact O-CG 3.34Å; V35-K39 PolarHBondContact O-N 3.13Å; E36-K39 WeakPolarHBondContact O-CB 3.39Å; E36-K39 PolarHBondContact O-N 3.48Å; E37-K39 VanDerWaalsContact C-N 3.33Å; E37-K39 PolarHBondContact O-N 2.72Å; K39-S41 VanDerWaalsContact C-N 3.34Å; K39-S41 PolarHBondContact O-N 3.28Å; K39-K42 PolarHBondContact O-N 3.35Å; K39-L43 WeakPolarHBondContact O-CG 3.5Å; K39-L43 PolarHBondContact O-N 3.36Å; K39-L43 VanDerWaalsContact O-N 3.13Å |
| 40 | R | 85.1 | Confident | 90.2 | Very high | 178 Ų | 178 | 107.8 Ų | 107.8 | 67% | 0.672 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -62.4 | -38.5 | 179.3 | -72.5 | 174.8 | -170.9 | -176.3 | 6.6 | 112.4 | E36 E37 K42 L43 | E36-R40 WeakPolarHBondContact O-CG 3.37Å; E36-R40 PolarHBondContact O-N 3.24Å; E37-R40 CarbonylContact O-C 3.47Å; E37-R40 PolarHBondContact O-N 3.09Å; E37-R40 VanDerWaalsContact O-N 3.14Å; R40-K42 VanDerWaalsContact C-N 3.33Å; R40-L43 WeakPolarHBondContact O-CB 3.46Å; R40-L43 PolarHBondContact O-N 3.23Å |
| 41 | S | 85.3 | Confident | 90.1 | Very high | 89 Ų | 89 | 106.4 Ų | 106.4 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -69.6 | -31.8 | 177.6 | 73.2 | 0 | 0 | 0 | 0 | 112.4 | E37 D38 K39 L43 | E37-S41 PolarHBondContact O-N 3.4Å; D38-S41 WeakPolarHBondContact CA-OG 3.45Å; D38-S41 PolarHBondContact O-OG 3.16Å; K39-S41 VanDerWaalsContact C-N 3.34Å; K39-S41 PolarHBondContact O-N 3.28Å; S41-L43 VanDerWaalsContact C-N 3.33Å |
| 42 | K | 89.6 | Confident | 90.1 | Very high | 147 Ų | 147 | 107.1 Ų | 107.1 | 64% | 0.639 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -79.6 | -9.8 | 174.2 | -71.7 | 170.8 | 179.7 | 168 | 0 | 114 | D38 K39 R40 | D38-K42 VanDerWaalsContact CG-NZ 3.34Å; D38-K42 WeakPolarHBondContact O-CB 3.41Å; D38-K42 WeakPolarHBondContact O-CD 3.42Å; D38-K42 VanDerWaalsContact O-CG 3.24Å; D38-K42 WeakPolarHBondContact O-CG 3.47Å; D38-K42 PolarHBondContact O-N 2.97Å; D38-K42 WeakPolarHBondContact OD1-CE 3.29Å; D38-K42 IonicContact OD1-NZ 3.11Å; D38-K42 PolarHBondContact OD1-NZ 2.92Å; D38-K42 VanDerWaalsContact OD2-CE 3.29Å; D38-K42 WeakPolarHBondContact OD2-CE 3.41Å; D38-K42 IonicContact OD2-NZ 3.11Å; D38-K42 PolarHBondContact OD2-NZ 2.88Å; K39-K42 PolarHBondContact O-N 3.35Å; R40-K42 VanDerWaalsContact C-N 3.33Å |
| 43 | L | 88.5 | Confident | 89.9 | Confident | 62 Ų | 62 | 110 Ų | 110 | 33% | 0.325 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -68.8 | 138.1 | 176.3 | -71.5 | 175.2 | 0 | 0 | 0 | 110.1 | K39 R40 S41 S45 W47 | K39-L43 WeakPolarHBondContact O-CG 3.5Å; K39-L43 PolarHBondContact O-N 3.36Å; K39-L43 VanDerWaalsContact O-N 3.13Å; R40-L43 WeakPolarHBondContact O-CB 3.46Å; R40-L43 PolarHBondContact O-N 3.23Å; S41-L43 VanDerWaalsContact C-N 3.33Å; L43-S45 PolarHBondContact O-N 3.43Å; L43-W47 HydrophobicContact CB-CB 4.02Å; L43-W47 HydrophobicContact CB-CG 4.2Å; L43-W47 HydrophobicContact CD1-CB 4.44Å; L43-W47 HydrophobicContact CD1-CD2 3.59Å; L43-W47 HydrophobicContact CD1-CE3 3.73Å; L43-W47 HydrophobicContact CD1-CG 3.93Å; L43-W47 HydrophobicContact CD1-CH2 4.49Å; L43-W47 HydrophobicContact CD1-CZ2 4.37Å; L43-W47 HydrophobicContact CD1-CZ3 4.19Å; L43-W47 HydrophobicContact CD2-CB 4.42Å; L43-W47 VanDerWaalsContact CD2-CD1 3.49Å; L43-W47 HydrophobicContact CD2-CD2 4.07Å; L43-W47 HydrophobicContact CD2-CG 3.76Å; L43-W47 HydrophobicContact CG-CD2 4.31Å; L43-W47 HydrophobicContact CG-CG 4.16Å |
| 44 | P | 88.5 | Confident | 89.9 | Confident | 70 Ų | 70 | 107.6 Ų | 107.6 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | trans | -55.1 | 142.1 | 168.7 | -26.2 | 35.6 | 0 | 0 | 0 | 110.7 | N46 W47 | P44-N46 VanDerWaalsContact CB-OD1 3.29Å; P44-N46 WeakPolarHBondContact CB-OD1 3.37Å; P44-N46 PolarHBondContact O-N 3.21Å; P44-W47 WeakPolarHBondContact O-CB 3.41Å; P44-W47 PolarHBondContact O-N 2.91Å | ||
| 45 | S | 86.2 | Confident | 89.9 | Confident | 136 Ų | 136 | 109.2 Ų | 109.2 | 95% | 0.951 | 53% | 0.527 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53 | -24.9 | 179 | 173 | 0 | 0 | 0 | 0 | 113.8 | L43 | L43-S45 PolarHBondContact O-N 3.43Š|
| 46 | N | 88.9 | Confident | 89.8 | Confident | 85 Ų | 85 | 114.4 Ų | 114.4 | 46% | 0.455 | 54% | 0.542 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.4 | 8.2 | 177.7 | 67.7 | 0.4 | 0 | 0 | 0 | 114.7 | P44 E48 V49 R50 | P44-N46 VanDerWaalsContact CB-OD1 3.29Å; P44-N46 WeakPolarHBondContact CB-OD1 3.37Å; P44-N46 PolarHBondContact O-N 3.21Å; N46-E48 PolarHBondContact O-N 3.17Å; N46-V49 WeakPolarHBondContact O-CB 3.46Å; N46-V49 PolarHBondContact O-N 3.34Å; N46-R50 PolarHBondContact O-N 3.38Å |
| 47 | W | 87.8 | Confident | 89.9 | Confident | 101 Ų | 101 | 114.5 Ų | 114.5 | 38% | 0.383 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60 | -45 | -173.1 | 179.6 | 86.7 | 0 | 0 | 0 | 113 | L43 P44 V49 R50 Q51 | L43-W47 HydrophobicContact CB-CB 4.02Å; L43-W47 HydrophobicContact CB-CG 4.2Å; L43-W47 HydrophobicContact CD1-CB 4.44Å; L43-W47 HydrophobicContact CD1-CD2 3.59Å; L43-W47 HydrophobicContact CD1-CE3 3.73Å; L43-W47 HydrophobicContact CD1-CG 3.93Å; L43-W47 HydrophobicContact CD1-CH2 4.49Å; L43-W47 HydrophobicContact CD1-CZ2 4.37Å; L43-W47 HydrophobicContact CD1-CZ3 4.19Å; L43-W47 HydrophobicContact CD2-CB 4.42Å; L43-W47 VanDerWaalsContact CD2-CD1 3.49Å; L43-W47 HydrophobicContact CD2-CD2 4.07Å; L43-W47 HydrophobicContact CD2-CG 3.76Å; L43-W47 HydrophobicContact CG-CD2 4.31Å; L43-W47 HydrophobicContact CG-CG 4.16Å; P44-W47 WeakPolarHBondContact O-CB 3.41Å; P44-W47 PolarHBondContact O-N 2.91Å; W47-V49 VanDerWaalsContact C-N 3.29Å; W47-V49 PolarHBondContact O-N 3.34Å; W47-R50 WeakPolarHBondContact O-CB 3.36Å; W47-R50 PolarHBondContact O-N 3.05Å; W47-R50 VanDerWaalsContact O-N 3.11Å; W47-Q51 HydrophobicContact CD2-CG 3.81Å; W47-Q51 HydrophobicContact CE3-CG 4.05Å; W47-Q51 HydrophobicContact CH2-CG 3.85Å; W47-Q51 HydrophobicContact CZ2-CG 3.59Å; W47-Q51 HydrophobicContact CZ3-CG 4.06Å; W47-Q51 WeakPolarHBondContact O-CG 3.46Å; W47-Q51 PolarHBondContact O-N 3.42Å |
| 48 | E | 88.1 | Confident | 90 | Very high | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.612 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -62.4 | -37.9 | 177.6 | -65 | -175 | 175.2 | 0 | 0 | 112.2 | N46 R50 Q51 K52 | N46-E48 PolarHBondContact O-N 3.17Å; E48-R50 VanDerWaalsContact C-N 3.32Å; E48-Q51 PolarHBondContact O-N 3.48Å; E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 WeakPolarHBondContact O-CG 3.34Å; E48-K52 PolarHBondContact O-N 2.99Å |
| 49 | V | 89.2 | Confident | 90.1 | Very high | 94 Ų | 94 | 111.4 Ų | 111.4 | 57% | 0.57 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.8 | -39.1 | 176.1 | 178.3 | 0 | 0 | 0 | 0 | 110.3 | N46 W47 R53 | N46-V49 WeakPolarHBondContact O-CB 3.46Å; N46-V49 PolarHBondContact O-N 3.34Å; W47-V49 VanDerWaalsContact C-N 3.29Å; W47-V49 PolarHBondContact O-N 3.34Å; V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 3.43Å |
| 50 | R | 89.3 | Confident | 90.2 | Very high | 159 Ų | 159 | 105.9 Ų | 105.9 | 60% | 0.6 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.5 | -43.8 | 174.2 | -71.6 | -175.7 | 66.9 | -165 | -1.1 | 111.9 | N46 W47 E48 R53 L54 | N46-R50 PolarHBondContact O-N 3.38Å; W47-R50 WeakPolarHBondContact O-CB 3.36Å; W47-R50 PolarHBondContact O-N 3.05Å; W47-R50 VanDerWaalsContact O-N 3.11Å; E48-R50 VanDerWaalsContact C-N 3.32Å; R50-R53 WeakPolarHBondContact O-CB 3.47Å; R50-R53 PolarHBondContact O-N 3.1Å; R50-L54 PolarHBondContact O-N 3.47Å |
| 51 | Q | 91.3 | Very high | 90.5 | Very high | 64 Ų | 64 | 103.5 Ų | 103.5 | 30% | 0.299 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.4 | -46.4 | 177.3 | -71.5 | -60.2 | -49.3 | 0 | 0 | 111.9 | W47 E48 R53 L54 Q55 | W47-Q51 HydrophobicContact CD2-CG 3.81Å; W47-Q51 HydrophobicContact CE3-CG 4.05Å; W47-Q51 HydrophobicContact CH2-CG 3.85Å; W47-Q51 HydrophobicContact CZ2-CG 3.59Å; W47-Q51 HydrophobicContact CZ3-CG 4.06Å; W47-Q51 WeakPolarHBondContact O-CG 3.46Å; W47-Q51 PolarHBondContact O-N 3.42Å; E48-Q51 PolarHBondContact O-N 3.48Å; Q51-R53 VanDerWaalsContact C-N 3.26Å; Q51-R53 PolarHBondContact O-N 3.32Å; Q51-L54 PolarHBondContact O-N 2.96Å; Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 2.84Å |
| 52 | K | 93 | Very high | 90.9 | Very high | 142 Ų | 142 | 103.9 Ų | 103.9 | 62% | 0.617 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -60 | -37.7 | 174.4 | -75.8 | 177.6 | 179.3 | 171.9 | 0 | 112.3 | E48 W56 | E48-K52 WeakPolarHBondContact O-CB 3.44Å; E48-K52 WeakPolarHBondContact O-CG 3.34Å; E48-K52 PolarHBondContact O-N 2.99Å; K52-W56 WeakPolarHBondContact O-CB 3.3Å; K52-W56 PolarHBondContact O-N 2.81Å |
| 53 | R | 91.7 | Very high | 91.1 | Very high | 157 Ų | 157 | 99 Ų | 99 | 59% | 0.592 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.5 | -47.7 | 174.6 | -179.7 | 179.1 | -61.2 | -144.3 | -0.4 | 111.2 | V49 R50 Q51 Q55 W56 E57 | V49-R53 WeakPolarHBondContact O-CB 3.37Å; V49-R53 PolarHBondContact O-N 3.43Å; R50-R53 WeakPolarHBondContact O-CB 3.47Å; R50-R53 PolarHBondContact O-N 3.1Å; Q51-R53 VanDerWaalsContact C-N 3.26Å; Q51-R53 PolarHBondContact O-N 3.32Å; R53-Q55 PolarHBondContact O-N 3.31Å; R53-W56 WeakPolarHBondContact O-CB 3.5Å; R53-W56 PolarHBondContact O-N 2.74Å; R53-W56 VanDerWaalsContact O-N 3.16Å; R53-E57 WeakPolarHBondContact CD-OE1 3.47Å; R53-E57 HydrophobicContact CG-CG 4.36Å; R53-E57 VanDerWaalsContact CG-OE1 3.24Å; R53-E57 WeakPolarHBondContact CG-OE1 3.33Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 3.08Å |
| 54 | L | 93.2 | Very high | 91.3 | Very high | 76 Ų | 76 | 101.6 Ų | 101.6 | 40% | 0.398 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.5 | -46.5 | 178.9 | -172.9 | 69.2 | 0 | 0 | 0 | 111.3 | R50 Q51 W56 E57 E58 | R50-L54 PolarHBondContact O-N 3.47Å; Q51-L54 PolarHBondContact O-N 2.96Å; L54-W56 VanDerWaalsContact C-N 3.28Å; L54-W56 PolarHBondContact O-N 3.34Å; L54-E57 PolarHBondContact O-N 3.41Å; L54-E57 VanDerWaalsContact O-N 3.13Å; L54-E58 WeakPolarHBondContact O-CG 3.31Å; L54-E58 PolarHBondContact O-N 3.11Å |
| 55 | Q | 94.5 | Very high | 91.6 | Very high | 121 Ų | 121 | 102.8 Ų | 102.8 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -60.1 | -38 | 175.1 | -71.4 | 174 | 14.3 | 0 | 0 | 112.4 | Q51 R53 G59 | Q51-Q55 WeakPolarHBondContact O-CG 3.45Å; Q51-Q55 PolarHBondContact O-N 2.84Å; R53-Q55 PolarHBondContact O-N 3.31Å; Q55-G59 PolarHBondContact O-N 3.29Å |
| 56 | W | 92.9 | Very high | 91.9 | Very high | 160 Ų | 160 | 101.1 Ų | 101.1 | 61% | 0.606 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -67.8 | -41.3 | 174.6 | 179.8 | 86.1 | 0 | 0 | 0 | 111.8 | K52 R53 L54 G59 D60 | K52-W56 WeakPolarHBondContact O-CB 3.3Å; K52-W56 PolarHBondContact O-N 2.81Å; R53-W56 WeakPolarHBondContact O-CB 3.5Å; R53-W56 PolarHBondContact O-N 2.74Å; R53-W56 VanDerWaalsContact O-N 3.16Å; L54-W56 VanDerWaalsContact C-N 3.28Å; L54-W56 PolarHBondContact O-N 3.34Å; W56-G59 PolarHBondContact O-N 2.8Å; W56-D60 HydrophobicContact CH2-CB 4.43Å; W56-D60 VanDerWaalsContact O-CB 3.3Å; W56-D60 WeakPolarHBondContact O-CB 3.34Å; W56-D60 PolarHBondContact O-N 3.3Å |
| 57 | E | 91.6 | Very high | 92.1 | Very high | 93 Ų | 93 | 97.3 Ų | 97.3 | 44% | 0.435 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63 | -46.9 | 177 | -73.1 | 167.9 | -176.5 | 0 | 0 | 111.2 | R53 L54 D60 E61 | R53-E57 WeakPolarHBondContact CD-OE1 3.47Å; R53-E57 HydrophobicContact CG-CG 4.36Å; R53-E57 VanDerWaalsContact CG-OE1 3.24Å; R53-E57 WeakPolarHBondContact CG-OE1 3.33Å; R53-E57 WeakPolarHBondContact O-CG 3.47Å; R53-E57 PolarHBondContact O-N 3.08Å; L54-E57 PolarHBondContact O-N 3.41Å; L54-E57 VanDerWaalsContact O-N 3.13Å; E57-D60 PolarHBondContact O-N 3.18Å; E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 2.88Å |
| 58 | E | 93 | Very high | 92.3 | Very high | 105 Ų | 105 | 97.4 Ų | 97.4 | 49% | 0.491 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -60.2 | -47.1 | 174.8 | -72.4 | 174.1 | 179.9 | 0 | 0 | 111.6 | L54 D60 E61 I62 | L54-E58 WeakPolarHBondContact O-CG 3.31Å; L54-E58 PolarHBondContact O-N 3.11Å; E58-D60 VanDerWaalsContact C-N 3.33Å; E58-D60 PolarHBondContact O-N 3.25Å; E58-E61 PolarHBondContact O-N 2.88Å; E58-I62 VanDerWaalsContact O-CG1 3.32Å; E58-I62 WeakPolarHBondContact O-CG1 3.3Å; E58-I62 PolarHBondContact O-N 3.38Å |
| 59 | G | 93.9 | Very high | 92.6 | Very high | 38 Ų | 38 | 98.8 Ų | 98.8 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.2 | -37.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113 | Q55 W56 F63 | Q55-G59 PolarHBondContact O-N 3.29Å; W56-G59 PolarHBondContact O-N 2.8Å; G59-F63 VanDerWaalsContact O-CB 3.28Å; G59-F63 WeakPolarHBondContact O-CB 3.44Å; G59-F63 PolarHBondContact O-N 3.47Å |
| 60 | D | 91.7 | Very high | 92.7 | Very high | 15 Ų | 15 | 100.4 Ų | 100.4 | 8% | 0.08 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 176.7 | -159 | 61.4 | 0 | 0 | 0 | 111.7 | W56 E57 E58 F63 R64 R78 | W56-D60 HydrophobicContact CH2-CB 4.43Å; W56-D60 VanDerWaalsContact O-CB 3.3Å; W56-D60 WeakPolarHBondContact O-CB 3.34Å; W56-D60 PolarHBondContact O-N 3.3Å; E57-D60 PolarHBondContact O-N 3.18Å; E58-D60 VanDerWaalsContact C-N 3.33Å; E58-D60 PolarHBondContact O-N 3.25Å; D60-F63 PolarHBondContact O-N 2.81Å; D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3Å; D60-R64 IonicContact OD2-CZ 3.61Å; D60-R64 IonicContact OD2-NE 2.58Å; D60-R64 PolarHBondContact OD2-NE 2.86Å; D60-R64 IonicContact OD2-NH2 3.64Å; D60-R64 PolarHBondContact OD2-NH2 3.29Å; D60-R78 IonicContact OD1-CZ 2.76Å; D60-R78 IonicContact OD1-NH1 3.47Å; D60-R78 PolarHBondContact OD1-NH1 3.25Å; D60-R78 IonicContact OD2-NH1 2.66Å; D60-R78 PolarHBondContact OD2-NH1 2.9Å; D60-R78 VanDerWaalsContact OD2-NH1 3.11Å |
| 61 | E | 92.1 | Very high | 92.8 | Very high | 128 Ų | 128 | 102.1 Ų | 102.1 | 60% | 0.598 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.6 | -46.9 | 176.3 | -173.8 | 162.5 | -141.5 | 0 | 0 | 111.4 | E57 E58 F63 R64 L65 | E57-E61 WeakPolarHBondContact O-CB 3.42Å; E57-E61 PolarHBondContact O-N 2.88Å; E58-E61 PolarHBondContact O-N 2.88Å; E61-F63 VanDerWaalsContact C-N 3.35Å; E61-F63 PolarHBondContact O-N 3.01Å; E61-R64 PolarHBondContact O-N 3.19Å; E61-L65 HydrophobicContact CG-CD1 4.28Å; E61-L65 VanDerWaalsContact O-CG 3.31Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.96Å |
| 62 | I | 94.6 | Very high | 92.8 | Very high | 97 Ų | 97 | 101.8 Ų | 101.8 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -57.6 | -49.1 | 174.1 | -66.9 | 166.5 | 0 | 0 | 0 | 110.3 | E58 R64 L65 E66 | E58-I62 VanDerWaalsContact O-CG1 3.32Å; E58-I62 WeakPolarHBondContact O-CG1 3.3Å; E58-I62 PolarHBondContact O-N 3.38Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 3.25Å; I62-L65 WeakPolarHBondContact O-CB 3.41Å; I62-L65 PolarHBondContact O-N 3Å; I62-L65 VanDerWaalsContact O-N 3.15Å; I62-E66 WeakPolarHBondContact O-CG 3.25Å; I62-E66 PolarHBondContact O-N 3.01Å |
| 63 | F | 93.3 | Very high | 92.7 | Very high | 46 Ų | 46 | 99.2 Ų | 99.2 | 20% | 0.202 | 47% | 0.467 | C | S | . | . | H | α-helix | trans | -59.5 | -42.2 | 179 | 174 | -95.4 | 0 | 0 | 0 | 112.6 | G59 D60 E61 E66 C67 P74 M77 R78 | G59-F63 VanDerWaalsContact O-CB 3.28Å; G59-F63 WeakPolarHBondContact O-CB 3.44Å; G59-F63 PolarHBondContact O-N 3.47Å; D60-F63 PolarHBondContact O-N 2.81Å; E61-F63 VanDerWaalsContact C-N 3.35Å; E61-F63 PolarHBondContact O-N 3.01Å; F63-E66 PolarHBondContact O-N 3.08Å; F63-C67 VanDerWaalsContact CZ-SG 3.53Å; F63-C67 WeakPolarHBondContact O-CB 3.4Å; F63-C67 PolarHBondContact O-N 3.31Å; F63-C67 PolarHBondContact O-SG 2.94Å; F63-P74 HydrophobicContact CD1-CB 4.46Å; F63-P74 HydrophobicContact CE1-CB 3.98Å; F63-P74 WeakPolarHBondContact CE1-O 3.47Å; F63-M77 HydrophobicContact CE2-CB 4.43Å; F63-M77 HydrophobicContact CZ-CB 3.65Å; F63-R78 HydrophobicContact CD1-CG 4.3Å; F63-R78 HydrophobicContact CE1-CG 3.48Å; F63-R78 VanDerWaalsContact CE1-CG 3.48Å; F63-R78 HydrophobicContact CZ-CG 3.73Å |
| 64 | R | 92.7 | Very high | 92.6 | Very high | 115 Ų | 115 | 92.9 Ų | 92.9 | 43% | 0.434 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 175.5 | -74.3 | 178.5 | -162.8 | -166.3 | 5.4 | 111.7 | D60 E61 I62 C67 N68 P74 | D60-R64 WeakPolarHBondContact O-CB 3.27Å; D60-R64 VanDerWaalsContact O-CG 3.25Å; D60-R64 WeakPolarHBondContact O-CG 3.39Å; D60-R64 PolarHBondContact O-N 3Å; D60-R64 IonicContact OD2-CZ 3.61Å; D60-R64 IonicContact OD2-NE 2.58Å; D60-R64 PolarHBondContact OD2-NE 2.86Å; D60-R64 IonicContact OD2-NH2 3.64Å; D60-R64 PolarHBondContact OD2-NH2 3.29Å; E61-R64 PolarHBondContact O-N 3.19Å; I62-R64 VanDerWaalsContact C-N 3.34Å; I62-R64 PolarHBondContact O-N 3.25Å; R64-C67 PolarHBondContact O-N 3.17Å; R64-N68 WeakPolarHBondContact O-CB 3.17Å; R64-N68 PolarHBondContact O-N 2.96Å; R64-N68 PolarHBondContact O-ND2 3.32Å; R64-P74 HydrophobicContact CG-CB 4.06Å; R64-P74 HydrophobicContact CG-CG 4.37Å |
| 65 | L | 94.1 | Very high | 92.4 | Very high | 96 Ų | 96 | 94 Ų | 94 | 50% | 0.503 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 176.2 | -73.3 | 168.9 | 0 | 0 | 0 | 111.3 | E61 I62 N68 Q69 | E61-L65 HydrophobicContact CG-CD1 4.28Å; E61-L65 VanDerWaalsContact O-CG 3.31Å; E61-L65 WeakPolarHBondContact O-CG 3.35Å; E61-L65 PolarHBondContact O-N 2.96Å; I62-L65 WeakPolarHBondContact O-CB 3.41Å; I62-L65 PolarHBondContact O-N 3Å; I62-L65 VanDerWaalsContact O-N 3.15Å; L65-N68 PolarHBondContact O-N 3.45Å; L65-Q69 WeakPolarHBondContact O-CG 3.48Å; L65-Q69 PolarHBondContact O-N 3.32Å |
| 66 | E | 93.6 | Very high | 92.1 | Very high | 101 Ų | 101 | 96.9 Ų | 96.9 | 47% | 0.472 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.5 | -45.6 | 175.2 | -71.4 | 176.6 | 174.4 | 0 | 0 | 112 | I62 F63 N68 Q69 Q70 | I62-E66 WeakPolarHBondContact O-CG 3.25Å; I62-E66 PolarHBondContact O-N 3.01Å; F63-E66 PolarHBondContact O-N 3.08Å; E66-N68 VanDerWaalsContact C-N 3.33Å; E66-N68 PolarHBondContact O-N 3.42Å; E66-Q69 PolarHBondContact O-N 3.2Å; E66-Q70 WeakPolarHBondContact O-CG 3.42Å; E66-Q70 PolarHBondContact O-N 3.3Å; E66-Q70 VanDerWaalsContact O-N 3.08Å |
| 67 | C | 92.7 | Very high | 91.9 | Very high | 4 Ų | 4 | 91.7 Ų | 91.7 | 3% | 0.027 | 44% | 0.441 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 175.6 | -70.6 | 0 | 0 | 0 | 0 | 111.8 | F63 R64 Q70 K71 I72 P74 | F63-C67 VanDerWaalsContact CZ-SG 3.53Å; F63-C67 WeakPolarHBondContact O-CB 3.4Å; F63-C67 PolarHBondContact O-N 3.31Å; F63-C67 PolarHBondContact O-SG 2.94Å; R64-C67 PolarHBondContact O-N 3.17Å; C67-Q70 CarbonylContact O-C 3.6Å; C67-Q70 PolarHBondContact O-N 3.23Å; C67-K71 PolarHBondContact O-N 2.87Å; C67-I72 CarbonylContact C-O 3.59Å; C67-I72 WeakPolarHBondContact CB-O 3.24Å; C67-I72 PolarHBondContact O-N 3.41Å; C67-P74 HydrophobicContact CB-CB 4.1Å |
| 68 | N | 92.6 | Very high | 91.6 | Very high | 104 Ų | 104 | 90.4 Ų | 90.4 | 56% | 0.556 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -64.1 | -40.5 | 177.4 | -73.9 | -22.1 | 0 | 0 | 0 | 112 | R64 L65 E66 Q70 K71 | R64-N68 WeakPolarHBondContact O-CB 3.17Å; R64-N68 PolarHBondContact O-N 2.96Å; R64-N68 PolarHBondContact O-ND2 3.32Å; L65-N68 PolarHBondContact O-N 3.45Å; E66-N68 VanDerWaalsContact C-N 3.33Å; E66-N68 PolarHBondContact O-N 3.42Å; N68-Q70 VanDerWaalsContact C-N 3.29Å; N68-Q70 PolarHBondContact O-N 2.96Å; N68-K71 PolarHBondContact O-N 3.32Å; N68-K71 VanDerWaalsContact O-N 3.14Å |
| 69 | Q | 94.4 | Very high | 91.3 | Very high | 160 Ų | 160 | 88.5 Ų | 88.5 | 75% | 0.748 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -61.3 | -38.8 | 174.1 | -72 | 172.5 | 8.7 | 0 | 0 | 111.8 | L65 E66 K71 | L65-Q69 WeakPolarHBondContact O-CG 3.48Å; L65-Q69 PolarHBondContact O-N 3.32Å; E66-Q69 PolarHBondContact O-N 3.2Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 3.42Å |
| 70 | Q | 91.6 | Very high | 91 | Very high | 127 Ų | 127 | 92.5 Ų | 92.5 | 59% | 0.593 | 45% | 0.446 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.7 | -4.1 | 177.2 | -63.9 | -179.5 | 8 | 0 | 0 | 113.8 | E66 C67 N68 I72 | E66-Q70 WeakPolarHBondContact O-CG 3.42Å; E66-Q70 PolarHBondContact O-N 3.3Å; E66-Q70 VanDerWaalsContact O-N 3.08Å; C67-Q70 CarbonylContact O-C 3.6Å; C67-Q70 PolarHBondContact O-N 3.23Å; N68-Q70 VanDerWaalsContact C-N 3.29Å; N68-Q70 PolarHBondContact O-N 2.96Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 HydrophobicContact CB-CD1 3.91Å; Q70-I72 HydrophobicContact CB-CG1 3.87Å; Q70-I72 PolarHBondContact O-N 2.65Å |
| 71 | K | 90.2 | Very high | 90.7 | Very high | 195 Ų | 195 | 98.2 Ų | 98.2 | 85% | 0.848 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 34.3 | -173.3 | -54.8 | -180 | -179.6 | 178.6 | 0 | 113.6 | C67 N68 Q69 | C67-K71 PolarHBondContact O-N 2.87Å; N68-K71 PolarHBondContact O-N 3.32Å; N68-K71 VanDerWaalsContact O-N 3.14Å; Q69-K71 VanDerWaalsContact C-N 3.3Å; Q69-K71 PolarHBondContact O-N 3.42Å |
| 72 | I | 90.9 | Very high | 90.5 | Very high | 58 Ų | 58 | 94.9 Ų | 94.9 | 30% | 0.297 | 47% | 0.465 | S | S | . | . | trans | -105.3 | 140.9 | 176.4 | -47.6 | 175.7 | 0 | 0 | 0 | 109.2 | C67 Q70 P74 M77 | C67-I72 CarbonylContact C-O 3.59Å; C67-I72 WeakPolarHBondContact CB-O 3.24Å; C67-I72 PolarHBondContact O-N 3.41Å; Q70-I72 VanDerWaalsContact C-N 3.25Å; Q70-I72 HydrophobicContact CB-CD1 3.91Å; Q70-I72 HydrophobicContact CB-CG1 3.87Å; Q70-I72 PolarHBondContact O-N 2.65Å; I72-P74 WeakPolarHBondContact O-CD 3.27Å; I72-M77 HydrophobicContact CB-CG 4.08Å; I72-M77 HydrophobicContact CD1-SD 4.16Å; I72-M77 HydrophobicContact CG2-CG 3.36Å; I72-M77 HydrophobicContact CG2-SD 3.8Å | ||
| 73 | D | 91.5 | Very high | 90.4 | Very high | 88 Ų | 88 | 92.9 Ų | 92.9 | 47% | 0.471 | 46% | 0.46 | S | S | . | . | trans | -64.5 | 119.7 | 172.3 | 176.6 | 2.8 | 0 | 0 | 0 | 110.5 | D75 R76 M77 | D73-D75 VanDerWaalsContact C-N 3.27Å; D73-D75 PolarHBondContact O-N 3.39Å; D73-D75 PolarHBondContact OD1-N 3.17Å; D73-R76 HydrophobicContact CB-CB 4.02Å; D73-R76 PolarHBondContact O-N 3.33Å; D73-M77 PolarHBondContact O-N 2.77Å; D73-M77 VanDerWaalsContact O-N 3.08Å | ||
| 74 | P | 90.5 | Very high | 90.2 | Very high | 23 Ų | 23 | 94.3 Ų | 94.3 | 15% | 0.149 | 48% | 0.48 | C | S | . | . | H | α-helix | trans | -62.4 | -31.3 | -178 | 25.9 | -35.8 | 0 | 0 | 0 | 113 | F63 R64 C67 I72 R78 | F63-P74 HydrophobicContact CD1-CB 4.46Å; F63-P74 HydrophobicContact CE1-CB 3.98Å; F63-P74 WeakPolarHBondContact CE1-O 3.47Å; R64-P74 HydrophobicContact CG-CB 4.06Å; R64-P74 HydrophobicContact CG-CG 4.37Å; C67-P74 HydrophobicContact CB-CB 4.1Å; I72-P74 WeakPolarHBondContact O-CD 3.27Å; P74-R78 WeakPolarHBondContact O-CB 3.26Å; P74-R78 WeakPolarHBondContact O-CG 3.45Å; P74-R78 PolarHBondContact O-N 3.32Å; P74-R78 PolarHBondContact O-NE 3.11Å |
| 75 | D | 88.5 | Confident | 90 | Very high | 101 Ų | 101 | 94.7 Ų | 94.7 | 54% | 0.54 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 179.2 | -74.3 | -14 | 0 | 0 | 0 | 111 | D73 R78 A79 | D73-D75 VanDerWaalsContact C-N 3.27Å; D73-D75 PolarHBondContact O-N 3.39Å; D73-D75 PolarHBondContact OD1-N 3.17Å; D75-R78 PolarHBondContact O-N 3.45Å; D75-R78 IonicContact OD1-CZ 2.81Å; D75-R78 IonicContact OD1-NE 3.26Å; D75-R78 IonicContact OD1-NH2 2.65Å; D75-R78 PolarHBondContact OD1-NH2 3.3Å; D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.35Å |
| 76 | R | 87.1 | Confident | 89.9 | Confident | 180 Ų | 180 | 94 Ų | 94 | 68% | 0.679 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.5 | -44.2 | 174.6 | -170.9 | 176.8 | 179.1 | -174.9 | -0.8 | 111.7 | D73 A79 L80 | D73-R76 HydrophobicContact CB-CB 4.02Å; D73-R76 PolarHBondContact O-N 3.33Å; R76-A79 WeakPolarHBondContact O-CB 3.44Å; R76-A79 PolarHBondContact O-N 3.38Å; R76-L80 WeakPolarHBondContact O-CG 3.4Å; R76-L80 PolarHBondContact O-N 2.96Å; R76-L80 VanDerWaalsContact O-N 3.16Å |
| 77 | M | 88.7 | Confident | 89.7 | Confident | 52 Ų | 52 | 91.4 Ų | 91.4 | 26% | 0.256 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.5 | -40.5 | 176.6 | -75.3 | -63.4 | -71.9 | 0 | 0 | 112.2 | F63 I72 D73 A79 L80 | F63-M77 HydrophobicContact CE2-CB 4.43Å; F63-M77 HydrophobicContact CZ-CB 3.65Å; I72-M77 HydrophobicContact CB-CG 4.08Å; I72-M77 HydrophobicContact CD1-SD 4.16Å; I72-M77 HydrophobicContact CG2-CG 3.36Å; I72-M77 HydrophobicContact CG2-SD 3.8Å; D73-M77 PolarHBondContact O-N 2.77Å; D73-M77 VanDerWaalsContact O-N 3.08Å; M77-A79 VanDerWaalsContact C-N 3.34Å; M77-A79 PolarHBondContact O-N 3.3Å; M77-L80 PolarHBondContact O-N 3.37Å; M77-L80 HydrophobicContact SD-CD1 3.91Å |
| 78 | R | 86.9 | Confident | 89.6 | Confident | 66 Ų | 66 | 96 Ų | 96 | 25% | 0.249 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -61.2 | -44.1 | 173.5 | -76.7 | -176.7 | -78.2 | -161.5 | -0.4 | 111.5 | D60 F63 P74 D75 L80 N81 V82 | D60-R78 IonicContact OD1-CZ 2.76Å; D60-R78 IonicContact OD1-NH1 3.47Å; D60-R78 PolarHBondContact OD1-NH1 3.25Å; D60-R78 IonicContact OD2-NH1 2.66Å; D60-R78 PolarHBondContact OD2-NH1 2.9Å; D60-R78 VanDerWaalsContact OD2-NH1 3.11Å; F63-R78 HydrophobicContact CD1-CG 4.3Å; F63-R78 HydrophobicContact CE1-CG 3.48Å; F63-R78 VanDerWaalsContact CE1-CG 3.48Å; F63-R78 HydrophobicContact CZ-CG 3.73Å; P74-R78 WeakPolarHBondContact O-CB 3.26Å; P74-R78 WeakPolarHBondContact O-CG 3.45Å; P74-R78 PolarHBondContact O-N 3.32Å; P74-R78 PolarHBondContact O-NE 3.11Å; D75-R78 PolarHBondContact O-N 3.45Å; D75-R78 IonicContact OD1-CZ 2.81Å; D75-R78 IonicContact OD1-NE 3.26Å; D75-R78 IonicContact OD1-NH2 2.65Å; D75-R78 PolarHBondContact OD1-NH2 3.3Å; R78-L80 PolarHBondContact O-N 3.24Å; R78-N81 PolarHBondContact O-N 2.82Å; R78-N81 VanDerWaalsContact O-N 3.11Å; R78-V82 WeakPolarHBondContact O-CG2 3.47Å; R78-V82 PolarHBondContact O-N 3.45Å |
| 79 | A | 86.7 | Confident | 89.6 | Confident | 64 Ų | 64 | 97.5 Ų | 97.5 | 53% | 0.529 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.5 | -32 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113 | D75 R76 M77 N81 V82 | D75-A79 WeakPolarHBondContact O-CB 3.45Å; D75-A79 PolarHBondContact O-N 3.35Å; R76-A79 WeakPolarHBondContact O-CB 3.44Å; R76-A79 PolarHBondContact O-N 3.38Å; M77-A79 VanDerWaalsContact C-N 3.34Å; M77-A79 PolarHBondContact O-N 3.3Å; A79-N81 VanDerWaalsContact C-N 3.3Å; A79-N81 PolarHBondContact O-N 3.46Å; A79-V82 PolarHBondContact O-N 2.86Å |
| 80 | L | 87.2 | Confident | 89.2 | Confident | 123 Ų | 123 | 93.4 Ų | 93.4 | 64% | 0.644 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.9 | -31.7 | 175.9 | -68 | 174.1 | 0 | 0 | 0 | 113.2 | R76 M77 R78 | R76-L80 WeakPolarHBondContact O-CG 3.4Å; R76-L80 PolarHBondContact O-N 2.96Å; R76-L80 VanDerWaalsContact O-N 3.16Å; M77-L80 PolarHBondContact O-N 3.37Å; M77-L80 HydrophobicContact SD-CD1 3.91Å; R78-L80 PolarHBondContact O-N 3.24Å |
| 81 | N | 85.9 | Confident | 89.1 | Confident | 134 Ų | 134 | 91.4 Ų | 91.4 | 72% | 0.717 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -85.3 | -11.4 | 179.2 | -68.4 | -33.7 | 0 | 0 | 0 | 113.1 | R78 A79 S83 | R78-N81 PolarHBondContact O-N 2.82Å; R78-N81 VanDerWaalsContact O-N 3.11Å; A79-N81 VanDerWaalsContact C-N 3.3Å; A79-N81 PolarHBondContact O-N 3.46Å; N81-S83 PolarHBondContact O-N 3.12Å |
| 82 | V | 87.4 | Confident | 89 | Confident | 58 Ų | 58 | 85.4 Ų | 85.4 | 35% | 0.352 | 45% | 0.454 | S | S | . | . | S | Bend | trans | -82 | 118.5 | 178.1 | 177.7 | 0 | 0 | 0 | 0 | 108.8 | R78 A79 I86 A87 | R78-V82 WeakPolarHBondContact O-CG2 3.47Å; R78-V82 PolarHBondContact O-N 3.45Å; A79-V82 PolarHBondContact O-N 2.86Å; V82-I86 HydrophobicContact CG1-CB 3.88Å; V82-I86 HydrophobicContact CG1-CG2 3.76Å; V82-A87 HydrophobicContact CG1-CB 4.12Å |
| 83 | S | 91.2 | Very high | 88.9 | Confident | 56 Ų | 56 | 89.3 Ų | 89.3 | 39% | 0.392 | 47% | 0.465 | S | S | . | . | trans | -61.9 | 148.4 | 173.9 | 70.8 | 0 | 0 | 0 | 0 | 111 | N81 E85 I86 A87 | N81-S83 PolarHBondContact O-N 3.12Å; S83-E85 PolarHBondContact O-N 2.88Å; S83-I86 PolarHBondContact O-N 2.9Å; S83-I86 WeakPolarHBondContact OG-CD1 3.46Å; S83-I86 VanDerWaalsContact OG-CG1 3.3Å; S83-I86 WeakPolarHBondContact OG-CG1 3.43Å; S83-I86 PolarHBondContact OG-N 2.79Å; S83-A87 PolarHBondContact O-N 3.48Å | ||
| 84 | A | 89.2 | Confident | 88.7 | Confident | 76 Ų | 76 | 93.8 Ų | 93.8 | 63% | 0.628 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -53.4 | -39.4 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | I86 A87 D88 | A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.08Å; A84-A87 PolarHBondContact O-N 3.27Å; A84-D88 PolarHBondContact O-N 3.25Å |
| 85 | E | 89.5 | Confident | 88.4 | Confident | 122 Ų | 122 | 100.4 Ų | 100.4 | 57% | 0.57 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.1 | -40.5 | 177 | -163.7 | -158.1 | 146.9 | 0 | 0 | 112.7 | S83 R89 | S83-E85 PolarHBondContact O-N 2.88Å; E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 3.35Å; E85-R89 IonicContact OE1-CZ 2.65Å; E85-R89 IonicContact OE1-NH2 3.85Å; E85-R89 PolarHBondContact OE1-NH2 2.95Å |
| 86 | I | 91.3 | Very high | 88.1 | Confident | 83 Ų | 83 | 103.2 Ų | 103.2 | 43% | 0.426 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 178.1 | -67.1 | 170.6 | 0 | 0 | 0 | 110.1 | V82 S83 A84 R89 L90 | V82-I86 HydrophobicContact CG1-CB 3.88Å; V82-I86 HydrophobicContact CG1-CG2 3.76Å; S83-I86 PolarHBondContact O-N 2.9Å; S83-I86 WeakPolarHBondContact OG-CD1 3.46Å; S83-I86 VanDerWaalsContact OG-CG1 3.3Å; S83-I86 WeakPolarHBondContact OG-CG1 3.43Å; S83-I86 PolarHBondContact OG-N 2.79Å; A84-I86 VanDerWaalsContact C-N 3.34Å; A84-I86 PolarHBondContact O-N 3.08Å; I86-R89 PolarHBondContact O-N 3.22Å; I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 HydrophobicContact CG2-CG 4.37Å; I86-L90 WeakPolarHBondContact O-CG 3.37Å; I86-L90 PolarHBondContact O-N 3.45Å |
| 87 | A | 89.8 | Confident | 87.8 | Confident | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -48.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | V82 S83 A84 R89 L90 E91 | V82-A87 HydrophobicContact CG1-CB 4.12Å; S83-A87 PolarHBondContact O-N 3.48Å; A84-A87 PolarHBondContact O-N 3.27Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 2.93Å; A87-L90 PolarHBondContact O-N 2.68Å; A87-L90 VanDerWaalsContact O-N 3.15Å; A87-E91 PolarHBondContact O-N 3.26Å |
| 88 | D | 91.5 | Very high | 87.4 | Confident | 100 Ų | 100 | 104.3 Ų | 104.3 | 54% | 0.535 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 176.4 | -74 | -18.9 | 0 | 0 | 0 | 111.8 | A84 L90 E91 T92 | A84-D88 PolarHBondContact O-N 3.25Å; D88-L90 PolarHBondContact O-N 3.14Å; D88-E91 PolarHBondContact O-N 3Å; D88-T92 WeakPolarHBondContact O-CB 3.3Å; D88-T92 VanDerWaalsContact O-CG2 3.27Å; D88-T92 WeakPolarHBondContact O-CG2 3.42Å; D88-T92 PolarHBondContact O-N 3.43Å; D88-T92 PolarHBondContact O-OG1 3.22Å |
| 89 | R | 91 | Very high | 87.2 | Confident | 137 Ų | 137 | 106.2 Ų | 106.2 | 52% | 0.517 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.2 | -38.7 | 177.2 | -167.6 | -176.1 | -64.7 | -173.5 | 0.5 | 112.2 | E85 I86 A87 T92 R93 | E85-R89 WeakPolarHBondContact O-CB 3.43Å; E85-R89 PolarHBondContact O-N 3.35Å; E85-R89 IonicContact OE1-CZ 2.65Å; E85-R89 IonicContact OE1-NH2 3.85Å; E85-R89 PolarHBondContact OE1-NH2 2.95Å; I86-R89 PolarHBondContact O-N 3.22Å; A87-R89 VanDerWaalsContact C-N 3.31Å; A87-R89 PolarHBondContact O-N 2.93Å; R89-T92 WeakPolarHBondContact CA-OG1 3.45Å; R89-T92 PolarHBondContact O-OG1 3Å; R89-R93 WeakPolarHBondContact O-CB 3.29Å; R89-R93 PolarHBondContact O-N 3.27Å |
| 90 | L | 87.9 | Confident | 87.3 | Confident | 73 Ų | 73 | 107.5 Ų | 107.5 | 38% | 0.382 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.7 | -42.6 | 176 | -75.1 | 170 | 0 | 0 | 0 | 111.1 | I86 A87 D88 R93 R94 | I86-L90 HydrophobicContact CG2-CD1 3.98Å; I86-L90 HydrophobicContact CG2-CG 4.37Å; I86-L90 WeakPolarHBondContact O-CG 3.37Å; I86-L90 PolarHBondContact O-N 3.45Å; A87-L90 PolarHBondContact O-N 2.68Å; A87-L90 VanDerWaalsContact O-N 3.15Å; D88-L90 PolarHBondContact O-N 3.14Å; L90-R93 WeakPolarHBondContact O-CB 3.35Å; L90-R93 PolarHBondContact O-N 3.03Å; L90-R94 WeakPolarHBondContact O-CG 3.37Å; L90-R94 PolarHBondContact O-N 3.29Å |
| 91 | E | 88.4 | Confident | 87.3 | Confident | 86 Ų | 86 | 106.6 Ų | 106.6 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -65.3 | -46.6 | 179 | -166.3 | -176 | -179 | 0 | 0 | 111.7 | A87 D88 R93 R94 R95 | A87-E91 PolarHBondContact O-N 3.26Å; D88-E91 PolarHBondContact O-N 3Å; E91-R93 PolarHBondContact O-N 3.42Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 3.5Å; E91-R95 VanDerWaalsContact CD-NH2 3.29Å; E91-R95 HydrophobicContact CG-CG 4.42Å; E91-R95 WeakPolarHBondContact O-CG 3.5Å; E91-R95 PolarHBondContact O-N 3.18Å; E91-R95 IonicContact OE1-CZ 2.88Å; E91-R95 VanDerWaalsContact OE1-CZ 3.23Å; E91-R95 IonicContact OE1-NE 3.23Å; E91-R95 PolarHBondContact OE1-NE 3.42Å; E91-R95 IonicContact OE1-NH2 3.54Å; E91-R95 PolarHBondContact OE1-NH2 3.07Å; E91-R95 IonicContact OE2-NH2 3.07Å |
| 92 | T | 88.6 | Confident | 87.5 | Confident | 69 Ų | 69 | 109.2 Ų | 109.2 | 42% | 0.423 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -59.5 | -35.3 | 175.5 | 52.9 | 0 | 0 | 0 | 0 | 112.1 | D88 R89 K96 | D88-T92 WeakPolarHBondContact O-CB 3.3Å; D88-T92 VanDerWaalsContact O-CG2 3.27Å; D88-T92 WeakPolarHBondContact O-CG2 3.42Å; D88-T92 PolarHBondContact O-N 3.43Å; D88-T92 PolarHBondContact O-OG1 3.22Å; R89-T92 WeakPolarHBondContact CA-OG1 3.45Å; R89-T92 PolarHBondContact O-OG1 3Å; T92-K96 WeakPolarHBondContact O-CB 3.44Å; T92-K96 VanDerWaalsContact O-CG 3.24Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.35Å |
| 93 | R | 88.2 | Confident | 87.7 | Confident | 139 Ų | 139 | 108.7 Ų | 108.7 | 53% | 0.525 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -67 | -43.5 | 172.9 | -171.8 | -176.6 | -63.8 | 172.3 | -1.2 | 111.9 | R89 L90 E91 K96 K97 | R89-R93 WeakPolarHBondContact O-CB 3.29Å; R89-R93 PolarHBondContact O-N 3.27Å; L90-R93 WeakPolarHBondContact O-CB 3.35Å; L90-R93 PolarHBondContact O-N 3.03Å; E91-R93 PolarHBondContact O-N 3.42Å; R93-K96 PolarHBondContact O-N 3.05Å; R93-K97 PolarHBondContact O-N 3.16Å; R93-K97 VanDerWaalsContact O-N 3.16Å |
| 94 | R | 87.1 | Confident | 87.8 | Confident | 183 Ų | 183 | 111.8 Ų | 111.8 | 69% | 0.691 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -60.3 | -50.7 | 175.4 | -72.2 | 176.1 | 179.7 | -174 | 0 | 110.9 | L90 E91 K96 K97 C98 | L90-R94 WeakPolarHBondContact O-CG 3.37Å; L90-R94 PolarHBondContact O-N 3.29Å; E91-R94 WeakPolarHBondContact O-CB 3.47Å; E91-R94 PolarHBondContact O-N 3.5Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 2.99Å; R94-K97 WeakPolarHBondContact O-CB 3.5Å; R94-K97 PolarHBondContact O-N 3.06Å; R94-C98 PolarHBondContact O-N 3.26Å; R94-C98 PolarHBondContact O-SG 3.38Å; R94-C98 VanDerWaalsContact O-SG 3.33Å |
| 95 | R | 85.3 | Confident | 88 | Confident | 162 Ų | 162 | 111.8 Ų | 111.8 | 61% | 0.611 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -57.4 | -37.7 | 177 | -67.1 | 178.9 | -175.4 | -169.6 | 3.8 | 112.7 | E91 C98 | E91-R95 VanDerWaalsContact CD-NH2 3.29Å; E91-R95 HydrophobicContact CG-CG 4.42Å; E91-R95 WeakPolarHBondContact O-CG 3.5Å; E91-R95 PolarHBondContact O-N 3.18Å; E91-R95 IonicContact OE1-CZ 2.88Å; E91-R95 VanDerWaalsContact OE1-CZ 3.23Å; E91-R95 IonicContact OE1-NE 3.23Å; E91-R95 PolarHBondContact OE1-NE 3.42Å; E91-R95 IonicContact OE1-NH2 3.54Å; E91-R95 PolarHBondContact OE1-NH2 3.07Å; E91-R95 IonicContact OE2-NH2 3.07Å; R95-C98 PolarHBondContact O-N 3.37Å |
| 96 | K | 82.2 | Confident | 88.3 | Confident | 160 Ų | 160 | 109 Ų | 109 | 70% | 0.696 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -67 | -34.6 | 175.3 | -76.3 | 173.2 | -174.9 | 178.6 | 0 | 112.9 | T92 R93 R94 N99 | T92-K96 WeakPolarHBondContact O-CB 3.44Å; T92-K96 VanDerWaalsContact O-CG 3.24Å; T92-K96 WeakPolarHBondContact O-CG 3.47Å; T92-K96 PolarHBondContact O-N 3.35Å; R93-K96 PolarHBondContact O-N 3.05Å; R94-K96 VanDerWaalsContact C-N 3.28Å; R94-K96 PolarHBondContact O-N 2.99Å; K96-N99 PolarHBondContact O-N 3.23Å |
| 97 | K | 80.7 | Confident | 88.6 | Confident | 153 Ų | 153 | 114 Ų | 114 | 67% | 0.665 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -70.9 | -29.3 | 176.5 | -71.7 | -177.4 | 176.8 | -170.6 | 0 | 112.7 | R93 R94 N99 T100 | R93-K97 PolarHBondContact O-N 3.16Å; R93-K97 VanDerWaalsContact O-N 3.16Å; R94-K97 WeakPolarHBondContact O-CB 3.5Å; R94-K97 PolarHBondContact O-N 3.06Å; K97-N99 PolarHBondContact O-N 3.39Å; K97-T100 WeakPolarHBondContact O-CG2 3.42Å |
| 98 | C | 80 | Confident | 88.9 | Confident | 101 Ų | 101 | 115 Ų | 115 | 68% | 0.682 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | -14.6 | 177.5 | -59.4 | 0 | 0 | 0 | 0 | 113.9 | R94 R95 T100 | R94-C98 PolarHBondContact O-N 3.26Å; R94-C98 PolarHBondContact O-SG 3.38Å; R94-C98 VanDerWaalsContact O-SG 3.33Å; R95-C98 PolarHBondContact O-N 3.37Å; C98-T100 PolarHBondContact O-N 3.43Å |
| 99 | N | 82.4 | Confident | 89.1 | Confident | 106 Ų | 106 | 114.1 Ų | 114.1 | 57% | 0.567 | 56% | 0.563 | S | S | * | * | trans | -90.8 | 36 | -178.8 | -164.4 | 18.4 | 0 | 0 | 0 | 113 | K96 K97 R113 | K96-N99 PolarHBondContact O-N 3.23Å; K97-N99 PolarHBondContact O-N 3.39Å; N99-R113 PolarHBondContact O-NH2 2.89Å; N99-R113 PolarHBondContact OD1-NH1 2.95Å | ||
| 100 | T | 88 | Confident | 89.2 | Confident | 91 Ų | 91 | 109.9 Ų | 109.9 | 56% | 0.558 | 56% | 0.557 | S | S | * | * | trans | -63.9 | 157.7 | 173.4 | 40.6 | 0 | 0 | 0 | 0 | 111.2 | K97 C98 | K97-T100 WeakPolarHBondContact O-CG2 3.42Å; C98-T100 PolarHBondContact O-N 3.43Å | ||
| 101 | D | 88.2 | Confident | 89.5 | Confident | 105 Ų | 105 | 110 Ų | 110 | 56% | 0.561 | 56% | 0.564 | S | S | * | * | trans | -85.1 | 115.8 | 173 | -167 | -5 | 0 | 0 | 0 | 108.3 | G103 | D101-G103 PolarHBondContact O-N 2.92Å; D101-G103 PolarHBondContact OD1-N 3.13Å | ||
| 102 | E | 89.3 | Confident | 89.9 | Confident | 188 Ų | 188 | 111 Ų | 111 | 88% | 0.879 | 57% | 0.569 | S | S | * | * | trans | -82.6 | -2.5 | -178.3 | -64.3 | 179.5 | 176.8 | 0 | 0 | 112.5 | ||||
| 103 | G | 91.2 | Very high | 90.1 | Very high | 47 Ų | 47 | 112.6 Ų | 112.6 | 49% | 0.485 | 57% | 0.567 | S | S | . | * | trans | 109.1 | 172.2 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112 | D101 S105 | D101-G103 PolarHBondContact O-N 2.92Å; D101-G103 PolarHBondContact OD1-N 3.13Å; G103-S105 PolarHBondContact O-N 2.77Å | ||
| 104 | F | 93.6 | Very high | 90.3 | Very high | 121 Ų | 121 | 110.8 Ų | 110.8 | 53% | 0.531 | 56% | 0.563 | S | S | . | * | trans | -80 | 117.3 | 178.3 | 175.8 | -97.7 | 0 | 0 | 0 | 110.4 | Y107 | F104-Y107 AromaticContact CE2-CD1 3.85Å; F104-Y107 HydrophobicContact CE2-CD1 3.85Å; F104-Y107 AromaticContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CG 4.27Å; F104-Y107 AromaticContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD2 4.1Å; F104-Y107 AromaticContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE2 4Å; F104-Y107 HydrophobicContact CZ-CG 4.08Å; F104-Y107 AromaticContact CZ-CZ 3.88Å | ||
| 105 | S | 93.7 | Very high | 90.7 | Very high | 76 Ų | 76 | 108.7 Ų | 108.7 | 53% | 0.531 | 56% | 0.556 | S | S | . | * | trans | -97.9 | -72.7 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | G103 D109 | G103-S105 PolarHBondContact O-N 2.77Å; S105-D109 VanDerWaalsContact OG-CB 3.3Å; S105-D109 WeakPolarHBondContact OG-CB 3.24Å; S105-D109 PolarHBondContact OG-OD2 3.33Å | ||
| 106 | T | 96.8 | Very high | 91.1 | Very high | 64 Ų | 64 | 105.3 Ų | 105.3 | 39% | 0.393 | 55% | 0.55 | S | S | . | . | trans | -135.2 | 157.6 | 179.9 | 70.7 | 0 | 0 | 0 | 0 | 110.6 | A108 D109 A110 | T106-A108 PolarHBondContact O-N 3.34Å; T106-D109 PolarHBondContact O-N 2.95Å; T106-D109 PolarHBondContact OG1-N 3.33Å; T106-D109 VanDerWaalsContact OG1-N 3.1Å; T106-D109 PolarHBondContact OG1-OD2 3.42Å; T106-A110 PolarHBondContact O-N 2.65Å; T106-A110 VanDerWaalsContact O-N 3.08Å | ||
| 107 | Y | 96.1 | Very high | 91.6 | Very high | 187 Ų | 187 | 103.8 Ų | 103.8 | 73% | 0.733 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -62.1 | -30.3 | 173.5 | -70.3 | -69.6 | 0 | 0 | 0 | 112.1 | F104 S111 | F104-Y107 AromaticContact CE2-CD1 3.85Å; F104-Y107 HydrophobicContact CE2-CD1 3.85Å; F104-Y107 AromaticContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CE1 3.93Å; F104-Y107 HydrophobicContact CE2-CG 4.27Å; F104-Y107 AromaticContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD1 3.96Å; F104-Y107 HydrophobicContact CZ-CD2 4.1Å; F104-Y107 AromaticContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE1 3.86Å; F104-Y107 HydrophobicContact CZ-CE2 4Å; F104-Y107 HydrophobicContact CZ-CG 4.08Å; F104-Y107 AromaticContact CZ-CZ 3.88Å; Y107-S111 VanDerWaalsContact O-CB 3.23Å; Y107-S111 WeakPolarHBondContact O-CB 3.35Å; Y107-S111 PolarHBondContact O-N 3.33Å; Y107-S111 PolarHBondContact O-OG 3.18Å |
| 108 | A | 96.9 | Very high | 92.2 | Very high | 68 Ų | 68 | 98.3 Ų | 98.3 | 56% | 0.562 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -48.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111 | T106 A110 S111 H112 | T106-A108 PolarHBondContact O-N 3.34Å; A108-A110 PolarHBondContact O-N 3.49Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 2.84Å; A108-H112 WeakPolarHBondContact O-CB 3.41Å; A108-H112 PolarHBondContact O-N 3.26Å |
| 109 | D | 95.4 | Very high | 92.9 | Very high | 81 Ų | 81 | 96.2 Ų | 96.2 | 43% | 0.433 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 178.7 | -60.8 | -35.6 | 0 | 0 | 0 | 111.8 | S105 T106 S111 H112 R113 | S105-D109 VanDerWaalsContact OG-CB 3.3Å; S105-D109 WeakPolarHBondContact OG-CB 3.24Å; S105-D109 PolarHBondContact OG-OD2 3.33Å; T106-D109 PolarHBondContact O-N 2.95Å; T106-D109 PolarHBondContact OG1-N 3.33Å; T106-D109 VanDerWaalsContact OG1-N 3.1Å; T106-D109 PolarHBondContact OG1-OD2 3.42Å; D109-S111 VanDerWaalsContact C-N 3.29Å; D109-S111 PolarHBondContact O-N 2.92Å; D109-H112 PolarHBondContact O-N 2.9Å; D109-R113 WeakPolarHBondContact O-CB 3.47Å; D109-R113 PolarHBondContact O-N 3.49Å |
| 110 | A | 93.7 | Very high | 93.4 | Very high | 48 Ų | 48 | 99.9 Ų | 99.9 | 40% | 0.397 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.8 | -39.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.7 | T106 A108 K114 | T106-A110 PolarHBondContact O-N 2.65Å; T106-A110 VanDerWaalsContact O-N 3.08Å; A108-A110 PolarHBondContact O-N 3.49Å; A110-K114 WeakPolarHBondContact O-CB 3.45Å; A110-K114 PolarHBondContact O-N 3.28Å |
| 111 | S | 94.6 | Very high | 93.5 | Very high | 75 Ų | 75 | 100.8 Ų | 100.8 | 52% | 0.524 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.8 | -41.3 | 176.7 | -60.6 | 0 | 0 | 0 | 0 | 111.6 | Y107 A108 D109 K114 Y115 | Y107-S111 VanDerWaalsContact O-CB 3.23Å; Y107-S111 WeakPolarHBondContact O-CB 3.35Å; Y107-S111 PolarHBondContact O-N 3.33Å; Y107-S111 PolarHBondContact O-OG 3.18Å; A108-S111 WeakPolarHBondContact O-CB 3.35Å; A108-S111 PolarHBondContact O-N 2.84Å; D109-S111 VanDerWaalsContact C-N 3.29Å; D109-S111 PolarHBondContact O-N 2.92Å; S111-K114 PolarHBondContact O-N 3.05Å; S111-Y115 WeakPolarHBondContact O-CB 3.47Å; S111-Y115 PolarHBondContact O-N 3.28Å |
| 112 | H | 95.1 | Very high | 93.7 | Very high | 107 Ų | 107 | 100.3 Ų | 100.3 | 50% | 0.495 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.2 | -46.8 | 175.9 | 179.9 | -117.3 | 0 | 0 | 0 | 111.7 | A108 D109 K114 Y115 L116 | A108-H112 WeakPolarHBondContact O-CB 3.41Å; A108-H112 PolarHBondContact O-N 3.26Å; D109-H112 PolarHBondContact O-N 2.9Å; H112-K114 VanDerWaalsContact C-N 3.31Å; H112-K114 PolarHBondContact O-N 3.39Å; H112-Y115 WeakPolarHBondContact O-CB 3.39Å; H112-Y115 PolarHBondContact O-N 2.89Å; H112-Y115 VanDerWaalsContact O-N 3.11Å; H112-L116 WeakPolarHBondContact O-CG 3.44Å; H112-L116 PolarHBondContact O-N 2.93Å |
| 113 | R | 93.1 | Very high | 93.8 | Very high | 102 Ų | 102 | 100.3 Ų | 100.3 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -57.3 | -44.1 | 173.4 | -179.5 | 178.9 | 173.2 | 74.1 | 1.9 | 111.6 | N99 D109 K117 | N99-R113 PolarHBondContact O-NH2 2.89Å; N99-R113 PolarHBondContact OD1-NH1 2.95Å; D109-R113 WeakPolarHBondContact O-CB 3.47Å; D109-R113 PolarHBondContact O-N 3.49Å; R113-K117 PolarHBondContact O-N 3.23Å |
| 114 | K | 93.2 | Very high | 93.9 | Very high | 101 Ų | 101 | 102.9 Ų | 102.9 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.3 | -45.4 | 174.7 | -175.7 | -169.4 | 171.2 | -165.5 | 0 | 110.9 | A110 S111 H112 K117 M118 | A110-K114 WeakPolarHBondContact O-CB 3.45Å; A110-K114 PolarHBondContact O-N 3.28Å; S111-K114 PolarHBondContact O-N 3.05Å; H112-K114 VanDerWaalsContact C-N 3.31Å; H112-K114 PolarHBondContact O-N 3.39Å; K114-K117 WeakPolarHBondContact O-CB 3.22Å; K114-K117 PolarHBondContact O-N 3.03Å; K114-M118 HydrophobicContact CD-CE 4.31Å; K114-M118 HydrophobicContact CD-SD 4.46Å; K114-M118 HydrophobicContact CG-CE 4.06Å; K114-M118 HydrophobicContact CG-CG 4.49Å; K114-M118 HydrophobicContact CG-SD 4.2Å; K114-M118 WeakPolarHBondContact O-CG 3.24Å; K114-M118 PolarHBondContact O-N 3.07Å |
| 115 | Y | 94.9 | Very high | 93.9 | Very high | 139 Ų | 139 | 101 Ų | 101 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -58.7 | -53.2 | 178.9 | 174 | -105.5 | 0 | 0 | 0 | 111.6 | S111 H112 K117 M118 T119 | S111-Y115 WeakPolarHBondContact O-CB 3.47Å; S111-Y115 PolarHBondContact O-N 3.28Å; H112-Y115 WeakPolarHBondContact O-CB 3.39Å; H112-Y115 PolarHBondContact O-N 2.89Å; H112-Y115 VanDerWaalsContact O-N 3.11Å; Y115-K117 PolarHBondContact O-N 3.39Å; Y115-M118 PolarHBondContact O-N 2.76Å; Y115-T119 HydrophobicContact CD1-CG2 4.19Å; Y115-T119 HydrophobicContact CD2-CG2 3.98Å; Y115-T119 HydrophobicContact CE1-CG2 3.77Å; Y115-T119 HydrophobicContact CE2-CG2 3.52Å; Y115-T119 HydrophobicContact CG-CG2 4.29Å; Y115-T119 VanDerWaalsContact CZ-CG2 3.41Å; Y115-T119 WeakPolarHBondContact O-CG2 3.37Å; Y115-T119 PolarHBondContact O-N 3.15Å; Y115-T119 PolarHBondContact O-OG1 3.37Å |
| 116 | L | 94.4 | Very high | 94 | Very high | 92 Ų | 92 | 102.7 Ų | 102.7 | 48% | 0.482 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -56 | -35.8 | 176.5 | -67.9 | -179.5 | 0 | 0 | 0 | 112.9 | H112 T119 K120 | H112-L116 WeakPolarHBondContact O-CG 3.44Å; H112-L116 PolarHBondContact O-N 2.93Å; L116-T119 WeakPolarHBondContact CA-OG1 3.44Å; L116-T119 PolarHBondContact O-OG1 3.47Å; L116-K120 WeakPolarHBondContact O-CB 3.37Å; L116-K120 PolarHBondContact O-N 2.96Å |
| 117 | K | 92.2 | Very high | 93.9 | Very high | 127 Ų | 127 | 103.6 Ų | 103.6 | 55% | 0.552 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -68 | -42.6 | 174.7 | -175.9 | 179.7 | -179.9 | 175.8 | 0 | 111.9 | R113 K114 Y115 Q121 | R113-K117 PolarHBondContact O-N 3.23Å; K114-K117 WeakPolarHBondContact O-CB 3.22Å; K114-K117 PolarHBondContact O-N 3.03Å; Y115-K117 PolarHBondContact O-N 3.39Å; K117-Q121 WeakPolarHBondContact O-CG 3.45Å; K117-Q121 PolarHBondContact O-N 2.97Å |
| 118 | M | 93.9 | Very high | 93.7 | Very high | 39 Ų | 39 | 97 Ų | 97 | 19% | 0.192 | 50% | 0.502 | C | S | . | . | H | α-helix | trans | -69.3 | -44.1 | 179.9 | -69.4 | -175.1 | -55.2 | 0 | 0 | 111.6 | K114 Y115 K120 Q121 I122 Q169 | K114-M118 HydrophobicContact CD-CE 4.31Å; K114-M118 HydrophobicContact CD-SD 4.46Å; K114-M118 HydrophobicContact CG-CE 4.06Å; K114-M118 HydrophobicContact CG-CG 4.49Å; K114-M118 HydrophobicContact CG-SD 4.2Å; K114-M118 WeakPolarHBondContact O-CG 3.24Å; K114-M118 PolarHBondContact O-N 3.07Å; Y115-M118 PolarHBondContact O-N 2.76Å; M118-K120 VanDerWaalsContact C-N 3.27Å; M118-K120 PolarHBondContact O-N 3.17Å; M118-Q121 WeakPolarHBondContact O-CB 3.39Å; M118-Q121 PolarHBondContact O-N 3.42Å; M118-I122 WeakPolarHBondContact O-CG1 3.47Å; M118-I122 PolarHBondContact O-N 3.36Å; M118-Q169 HydrophobicContact SD-CG 4.34Å; M118-Q169 PolarHBondContact SD-NE2 3.43Å |
| 119 | T | 93.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 99.6 Ų | 99.6 | 34% | 0.344 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -39.7 | 177.6 | 54.6 | 0 | 0 | 0 | 0 | 111.7 | Y115 L116 Q121 I122 | Y115-T119 HydrophobicContact CD1-CG2 4.19Å; Y115-T119 HydrophobicContact CD2-CG2 3.98Å; Y115-T119 HydrophobicContact CE1-CG2 3.77Å; Y115-T119 HydrophobicContact CE2-CG2 3.52Å; Y115-T119 HydrophobicContact CG-CG2 4.29Å; Y115-T119 VanDerWaalsContact CZ-CG2 3.41Å; Y115-T119 WeakPolarHBondContact O-CG2 3.37Å; Y115-T119 PolarHBondContact O-N 3.15Å; Y115-T119 PolarHBondContact O-OG1 3.37Å; L116-T119 WeakPolarHBondContact CA-OG1 3.44Å; L116-T119 PolarHBondContact O-OG1 3.47Å; T119-Q121 PolarHBondContact O-N 3.29Å; T119-I122 PolarHBondContact O-N 3.48Å |
| 120 | K | 92.3 | Very high | 93.5 | Very high | 183 Ų | 183 | 101.1 Ų | 101.1 | 80% | 0.796 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.3 | -25.6 | 174.6 | -169.9 | 174.3 | -176.2 | 171 | 0 | 114.1 | L116 M118 | L116-K120 WeakPolarHBondContact O-CB 3.37Å; L116-K120 PolarHBondContact O-N 2.96Å; M118-K120 VanDerWaalsContact C-N 3.27Å; M118-K120 PolarHBondContact O-N 3.17Å |
| 121 | Q | 91.5 | Very high | 93.5 | Very high | 111 Ų | 111 | 104.8 Ų | 104.8 | 52% | 0.519 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -85.1 | -23.3 | -179.7 | -71.9 | 178.1 | -10.3 | 0 | 0 | 112.7 | K117 M118 T119 K123 | K117-Q121 WeakPolarHBondContact O-CG 3.45Å; K117-Q121 PolarHBondContact O-N 2.97Å; M118-Q121 WeakPolarHBondContact O-CB 3.39Å; M118-Q121 PolarHBondContact O-N 3.42Å; T119-Q121 PolarHBondContact O-N 3.29Å; Q121-K123 PolarHBondContact O-N 3.48Å |
| 122 | I | 92.3 | Very high | 93.3 | Very high | 95 Ų | 95 | 105.2 Ų | 105.2 | 49% | 0.487 | 50% | 0.503 | S | S | . | . | trans | -73.3 | 122.6 | 179.5 | -63.7 | 164.9 | 0 | 0 | 0 | 108.8 | M118 T119 | M118-I122 WeakPolarHBondContact O-CG1 3.47Å; M118-I122 PolarHBondContact O-N 3.36Å; T119-I122 PolarHBondContact O-N 3.48Å | ||
| 123 | K | 92.2 | Very high | 93.2 | Very high | 188 Ų | 188 | 104.3 Ų | 104.3 | 82% | 0.817 | 50% | 0.498 | S | S | * | . | trans | -106.3 | 110.2 | 171.9 | -66 | -177.3 | -178.9 | -179.3 | 0 | 108.3 | Q121 | Q121-K123 PolarHBondContact O-N 3.48Š| ||
| 124 | P | 93.1 | Very high | 93.2 | Very high | 100 Ų | 100 | 107 Ų | 107 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | trans | -70.6 | 142.4 | 179.8 | 28.4 | -33.2 | 0 | 0 | 0 | 110.9 | L126 | P124-L126 PolarHBondContact O-N 3.23Š| ||
| 125 | D | 93.3 | Very high | 93.1 | Very high | 82 Ų | 82 | 110.9 Ų | 110.9 | 44% | 0.439 | 53% | 0.532 | S | S | . | . | trans | -87.3 | 104.2 | 170 | -178.7 | -10.5 | 0 | 0 | 0 | 108.9 | V127 A128 Y129 | D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 2.93Å; D125-V127 PolarHBondContact OD1-N 2.66Å; D125-A128 HydrophobicContact CB-CB 4.01Å; D125-A128 PolarHBondContact OD1-N 2.58Å; D125-A128 VanDerWaalsContact OD1-N 3.16Å; D125-Y129 WeakPolarHBondContact O-CB 3.3Å; D125-Y129 PolarHBondContact O-N 3.42Å | ||
| 126 | L | 94.7 | Very high | 92.8 | Very high | 111 Ų | 111 | 107 Ų | 107 | 58% | 0.581 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -68.6 | -27.7 | -176.8 | -60.2 | -179.7 | 0 | 0 | 0 | 112.7 | P124 Q130 | P124-L126 PolarHBondContact O-N 3.23Å; L126-Q130 WeakPolarHBondContact O-CB 3.25Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.49Å; L126-Q130 PolarHBondContact O-N 3.49Å |
| 127 | V | 95.2 | Very high | 92.6 | Very high | 84 Ų | 84 | 104.5 Ų | 104.5 | 51% | 0.509 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -74.9 | -46 | -179.8 | 178.2 | 0 | 0 | 0 | 0 | 109.8 | D125 Y129 Q130 K131 | D125-V127 VanDerWaalsContact C-N 3.29Å; D125-V127 PolarHBondContact O-N 2.93Å; D125-V127 PolarHBondContact OD1-N 2.66Å; V127-Y129 VanDerWaalsContact C-N 3.29Å; V127-Y129 PolarHBondContact O-N 2.96Å; V127-Q130 PolarHBondContact O-N 3.25Å; V127-K131 HydrophobicContact CG1-CD 4.5Å; V127-K131 WeakPolarHBondContact O-CG 3.35Å; V127-K131 PolarHBondContact O-N 3.42Å; V127-K131 VanDerWaalsContact O-N 3.09Å |
| 128 | A | 92 | Very high | 92.3 | Very high | 47 Ų | 47 | 106.2 Ų | 106.2 | 39% | 0.388 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59.8 | -43.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | D125 K131 E132 | D125-A128 HydrophobicContact CB-CB 4.01Å; D125-A128 PolarHBondContact OD1-N 2.58Å; D125-A128 VanDerWaalsContact OD1-N 3.16Å; A128-K131 PolarHBondContact O-N 3.11Å; A128-E132 PolarHBondContact O-N 3Å |
| 129 | Y | 93.3 | Very high | 92.1 | Very high | 123 Ų | 123 | 108.6 Ų | 108.6 | 48% | 0.482 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.7 | -46.1 | 176.1 | 172.1 | -105.4 | 0 | 0 | 0 | 112.9 | D125 V127 E132 K133 | D125-Y129 WeakPolarHBondContact O-CB 3.3Å; D125-Y129 PolarHBondContact O-N 3.42Å; V127-Y129 VanDerWaalsContact C-N 3.29Å; V127-Y129 PolarHBondContact O-N 2.96Å; Y129-E132 PolarHBondContact O-N 3.29Å; Y129-K133 WeakPolarHBondContact O-CB 3.48Å; Y129-K133 PolarHBondContact O-N 3.41Å |
| 130 | Q | 95.3 | Very high | 91.8 | Very high | 114 Ų | 114 | 107.2 Ų | 107.2 | 53% | 0.533 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.1 | -44.4 | 177.7 | -76.8 | 172.9 | 3.6 | 0 | 0 | 112.1 | L126 V127 E132 K133 E134 | L126-Q130 WeakPolarHBondContact O-CB 3.25Å; L126-Q130 VanDerWaalsContact O-CG 3.28Å; L126-Q130 WeakPolarHBondContact O-CG 3.49Å; L126-Q130 PolarHBondContact O-N 3.49Å; V127-Q130 PolarHBondContact O-N 3.25Å; Q130-E132 VanDerWaalsContact C-N 3.33Å; Q130-E132 PolarHBondContact O-N 3.16Å; Q130-K133 WeakPolarHBondContact O-CB 3.43Å; Q130-K133 PolarHBondContact O-N 2.95Å; Q130-E134 WeakPolarHBondContact O-CG 3.35Å; Q130-E134 PolarHBondContact O-N 3.17Å |
| 131 | K | 93.2 | Very high | 91.7 | Very high | 125 Ų | 125 | 105 Ų | 105 | 54% | 0.543 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.4 | -39.4 | 176.3 | -71.6 | 176.1 | 179.1 | 178.6 | 0 | 112.7 | V127 A128 K135 | V127-K131 HydrophobicContact CG1-CD 4.5Å; V127-K131 WeakPolarHBondContact O-CG 3.35Å; V127-K131 PolarHBondContact O-N 3.42Å; V127-K131 VanDerWaalsContact O-N 3.09Å; A128-K131 PolarHBondContact O-N 3.11Å; K131-K135 WeakPolarHBondContact O-CG 3.47Å; K131-K135 PolarHBondContact O-N 3.27Å |
| 132 | E | 90.1 | Very high | 91.6 | Very high | 83 Ų | 83 | 102.7 Ų | 102.7 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -70.1 | -40.3 | 177.1 | -170.3 | 169.5 | -167 | 0 | 0 | 111.2 | A128 Y129 Q130 E134 K135 L136 R152 | A128-E132 PolarHBondContact O-N 3Å; Y129-E132 PolarHBondContact O-N 3.29Å; Q130-E132 VanDerWaalsContact C-N 3.33Å; Q130-E132 PolarHBondContact O-N 3.16Å; E132-E134 PolarHBondContact O-N 3.29Å; E132-K135 PolarHBondContact O-N 3.11Å; E132-L136 HydrophobicContact CG-CD1 4.02Å; E132-L136 PolarHBondContact O-N 2.99Å; E132-R152 IonicContact OE1-NH1 2.74Å |
| 133 | K | 93.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 102.8 Ų | 102.8 | 39% | 0.387 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -44.1 | 174.3 | -174 | -177.5 | 178.3 | -172.5 | 0 | 112.2 | Y129 Q130 L136 G137 A140 | Y129-K133 WeakPolarHBondContact O-CB 3.48Å; Y129-K133 PolarHBondContact O-N 3.41Å; Q130-K133 WeakPolarHBondContact O-CB 3.43Å; Q130-K133 PolarHBondContact O-N 2.95Å; K133-L136 PolarHBondContact O-N 3.35Å; K133-G137 PolarHBondContact O-N 2.9Å; K133-A140 HydrophobicContact CG-CB 4.02Å |
| 134 | E | 93.7 | Very high | 91.5 | Very high | 157 Ų | 157 | 99 Ų | 99 | 73% | 0.734 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 176.5 | -74.5 | 174 | -178.9 | 0 | 0 | 112.6 | Q130 E132 | Q130-E134 WeakPolarHBondContact O-CG 3.35Å; Q130-E134 PolarHBondContact O-N 3.17Å; E132-E134 PolarHBondContact O-N 3.29Å |
| 135 | K | 90.7 | Very high | 91.3 | Very high | 183 Ų | 183 | 101 Ų | 101 | 80% | 0.796 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.3 | -38.1 | 177.4 | -72.9 | 175.1 | -176.9 | -176.6 | 0 | 113.2 | K131 E132 | K131-K135 WeakPolarHBondContact O-CG 3.47Å; K131-K135 PolarHBondContact O-N 3.27Å; E132-K135 PolarHBondContact O-N 3.11Å |
| 136 | L | 89 | Confident | 91 | Very high | 58 Ų | 58 | 99.4 Ų | 99.4 | 30% | 0.304 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -81.8 | -26.8 | -177.7 | -72.2 | 170.4 | 0 | 0 | 0 | 112.9 | E132 K133 D138 L139 A140 | E132-L136 HydrophobicContact CG-CD1 4.02Å; E132-L136 PolarHBondContact O-N 2.99Å; K133-L136 PolarHBondContact O-N 3.35Å; L136-D138 PolarHBondContact O-N 3.37Å; L136-L139 HydrophobicContact CB-CB 4.35Å; L136-L139 HydrophobicContact CD2-CB 4.41Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 2.85Å; L136-L139 VanDerWaalsContact O-N 3.11Å; L136-A140 HydrophobicContact CB-CB 4.11Å |
| 137 | G | 88.7 | Confident | 90.4 | Very high | 39 Ų | 39 | 101.7 Ų | 101.7 | 40% | 0.402 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | 58.3 | -123.5 | -177.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | K133 L139 A140 | K133-G137 PolarHBondContact O-N 2.9Å; G137-L139 PolarHBondContact O-N 3.11Å; G137-A140 WeakPolarHBondContact O-CB 3.27Å; G137-A140 PolarHBondContact O-N 2.84Å; G137-A140 VanDerWaalsContact O-N 3.16Å |
| 138 | D | 86.4 | Confident | 89.6 | Confident | 163 Ų | 163 | 100.3 Ų | 100.3 | 87% | 0.872 | 55% | 0.545 | S | S | * | . | G | 310 helix | trans | -65.8 | -25.9 | 179.9 | -63.8 | -23 | 0 | 0 | 0 | 113 | L136 A140 | L136-D138 PolarHBondContact O-N 3.37Å; D138-A140 PolarHBondContact O-N 3.28Å |
| 139 | L | 89.3 | Confident | 89.1 | Confident | 89 Ų | 89 | 101.6 Ų | 101.6 | 47% | 0.466 | 55% | 0.545 | S | S | . | . | G | 310 helix | trans | -71 | -8 | 176.6 | -64.5 | 172.2 | 0 | 0 | 0 | 113.1 | L136 G137 F141 T146 | L136-L139 HydrophobicContact CB-CB 4.35Å; L136-L139 HydrophobicContact CD2-CB 4.41Å; L136-L139 WeakPolarHBondContact O-CB 3.49Å; L136-L139 PolarHBondContact O-N 2.85Å; L136-L139 VanDerWaalsContact O-N 3.11Å; G137-L139 PolarHBondContact O-N 3.11Å; L139-F141 PolarHBondContact O-N 3.36Å; L139-T146 HydrophobicContact CD2-CG2 3.79Å |
| 140 | A | 88.4 | Confident | 88.6 | Confident | 28 Ų | 28 | 101.8 Ų | 101.8 | 23% | 0.231 | 56% | 0.559 | C | S | . | * | G | 310 helix | trans | -65.9 | -19.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | K133 L136 G137 D138 P142 | K133-A140 HydrophobicContact CG-CB 4.02Å; L136-A140 HydrophobicContact CB-CB 4.11Å; G137-A140 WeakPolarHBondContact O-CB 3.27Å; G137-A140 PolarHBondContact O-N 2.84Å; G137-A140 VanDerWaalsContact O-N 3.16Å; D138-A140 PolarHBondContact O-N 3.28Å; A140-P142 VanDerWaalsContact C-CD 3.41Å; A140-P142 WeakPolarHBondContact O-CD 3.29Å |
| 141 | F | 90.1 | Very high | 87.9 | Confident | 135 Ų | 135 | 102.9 Ų | 102.9 | 59% | 0.592 | 57% | 0.569 | S | S | * | * | S | Bend | trans | -119.9 | 68.5 | 178.8 | -56.5 | -70.4 | 0 | 0 | 0 | 111 | L139 | L139-F141 PolarHBondContact O-N 3.36Š|
| 142 | P | 90.2 | Very high | 87.5 | Confident | 63 Ų | 63 | 102.9 Ų | 102.9 | 41% | 0.409 | 57% | 0.566 | S | S | . | * | trans | -69.8 | 143.1 | -175.7 | 31 | -36 | 0 | 0 | 0 | 111.5 | A140 T146 L149 | A140-P142 VanDerWaalsContact C-CD 3.41Å; A140-P142 WeakPolarHBondContact O-CD 3.29Å; P142-T146 HydrophobicContact CB-CG2 3.99Å; P142-L149 HydrophobicContact CB-CD2 4.47Å; P142-L149 HydrophobicContact CG-CD2 4.07Å | ||
| 143 | T | 91 | Very high | 87.4 | Confident | 97 Ų | 97 | 108.4 Ų | 108.4 | 60% | 0.595 | 59% | 0.588 | S | S | * | * | trans | -91.3 | 173.1 | 162.7 | 60.9 | 0 | 0 | 0 | 0 | 110.1 | D145 T146 | T143-D145 PolarHBondContact O-N 2.93Å; T143-D145 VanDerWaalsContact O-N 3.1Å; T143-T146 PolarHBondContact N-OG1 3.13Å; T143-T146 WeakPolarHBondContact O-CB 3.17Å; T143-T146 PolarHBondContact O-N 3.14Å; T143-T146 VanDerWaalsContact O-N 3.12Å; T143-T146 PolarHBondContact O-OG1 3.25Å; T143-T146 PolarHBondContact OG1-OG1 3.06Å; T143-T146 VanDerWaalsContact OG1-OG1 3.1Å | ||
| 144 | A | 90.7 | Very high | 87.2 | Confident | 108 Ų | 108 | 108 Ų | 108 | 89% | 0.893 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -55.3 | -28.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 145 | D | 89.1 | Confident | 87.1 | Confident | 143 Ų | 143 | 103.3 Ų | 103.3 | 77% | 0.765 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 4.1 | -176.1 | -52.5 | -40.9 | 0 | 0 | 0 | 113.6 | T143 I147 | T143-D145 PolarHBondContact O-N 2.93Å; T143-D145 VanDerWaalsContact O-N 3.1Å; D145-I147 PolarHBondContact O-N 2.82Å |
| 146 | T | 85.7 | Confident | 87.3 | Confident | 48 Ų | 48 | 99.1 Ų | 99.1 | 29% | 0.294 | 57% | 0.57 | S | S | . | * | trans | -74.4 | 117.3 | -176.8 | -56 | 0 | 0 | 0 | 0 | 110.9 | L139 P142 T143 | L139-T146 HydrophobicContact CD2-CG2 3.79Å; P142-T146 HydrophobicContact CB-CG2 3.99Å; T143-T146 PolarHBondContact N-OG1 3.13Å; T143-T146 WeakPolarHBondContact O-CB 3.17Å; T143-T146 PolarHBondContact O-N 3.14Å; T143-T146 VanDerWaalsContact O-N 3.12Å; T143-T146 PolarHBondContact O-OG1 3.25Å; T143-T146 PolarHBondContact OG1-OG1 3.06Å; T143-T146 VanDerWaalsContact OG1-OG1 3.1Å | ||
| 147 | I | 83.2 | Confident | 87.5 | Confident | 160 Ų | 160 | 103 Ų | 103 | 82% | 0.821 | 59% | 0.587 | S | S | * | * | trans | -91.4 | 140.5 | 179.1 | -55 | 174.1 | 0 | 0 | 0 | 109.5 | D145 | D145-I147 PolarHBondContact O-N 2.82Š| ||
| 148 | G | 78.5 | Confident | 87.6 | Confident | 54 Ų | 54 | 103 Ų | 103 | 56% | 0.557 | 58% | 0.582 | S | S | * | * | S | Bend | trans | 115.6 | -2.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 149 | L | 81.7 | Confident | 88 | Confident | 74 Ų | 74 | 99.1 Ų | 99.1 | 39% | 0.387 | 57% | 0.565 | S | S | . | * | trans | -86.8 | -8.6 | 178.5 | -166.6 | 58.8 | 0 | 0 | 0 | 113.9 | P142 D151 | P142-L149 HydrophobicContact CB-CD2 4.47Å; P142-L149 HydrophobicContact CG-CD2 4.07Å; L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 3.45Å | ||
| 150 | T | 81.3 | Confident | 88.4 | Confident | 127 Ų | 127 | 101.3 Ų | 101.3 | 78% | 0.779 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.2 | -26.7 | -174 | 51 | 0 | 0 | 0 | 0 | 113.9 | R152 | T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.01Å |
| 151 | D | 82.5 | Confident | 88.6 | Confident | 138 Ų | 138 | 107 Ų | 107 | 74% | 0.738 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.2 | 11.6 | -171 | -60.4 | -10.6 | 0 | 0 | 0 | 112.9 | L149 K153 | L149-D151 VanDerWaalsContact C-N 3.31Å; L149-D151 PolarHBondContact O-N 3.45Å; D151-K153 PolarHBondContact O-N 3.31Å |
| 152 | R | 84.1 | Confident | 88.8 | Confident | 124 Ų | 124 | 105.2 Ų | 105.2 | 47% | 0.468 | 58% | 0.584 | S | S | . | * | trans | -63.9 | 115.2 | -178.9 | -169.4 | 174.4 | 73.5 | 93.4 | 21.7 | 110.9 | E132 T150 D154 | E132-R152 IonicContact OE1-NH1 2.74Å; T150-R152 VanDerWaalsContact C-N 3.27Å; T150-R152 PolarHBondContact O-N 3.01Å; R152-D154 IonicContact CZ-OD1 3.04Å; R152-D154 IonicContact CZ-OD2 3.86Å; R152-D154 IonicContact NH1-OD1 2.71Å; R152-D154 PolarHBondContact NH1-OD1 2.81Å; R152-D154 VanDerWaalsContact NH2-CG 3.34Å; R152-D154 IonicContact NH2-OD1 2.91Å; R152-D154 PolarHBondContact NH2-OD1 3.08Å; R152-D154 IonicContact NH2-OD2 3.01Å; R152-D154 PolarHBondContact NH2-OD2 2.71Å | ||
| 153 | K | 88.4 | Confident | 89.1 | Confident | 200 Ų | 200 | 104.3 Ų | 104.3 | 87% | 0.87 | 58% | 0.582 | S | S | * | * | trans | -94.2 | 111.1 | 171.1 | -64.8 | -176.7 | -177.3 | 178.7 | 0 | 109.7 | D151 | D151-K153 PolarHBondContact O-N 3.31Š| ||
| 154 | D | 89 | Confident | 89.4 | Confident | 81 Ų | 81 | 106 Ų | 106 | 43% | 0.433 | 58% | 0.581 | S | S | . | * | trans | -67.5 | 147.8 | 175.1 | -73.4 | -52 | 0 | 0 | 0 | 111.4 | R152 V159 | R152-D154 IonicContact CZ-OD1 3.04Å; R152-D154 IonicContact CZ-OD2 3.86Å; R152-D154 IonicContact NH1-OD1 2.71Å; R152-D154 PolarHBondContact NH1-OD1 2.81Å; R152-D154 VanDerWaalsContact NH2-CG 3.34Å; R152-D154 IonicContact NH2-OD1 2.91Å; R152-D154 PolarHBondContact NH2-OD1 3.08Å; R152-D154 IonicContact NH2-OD2 3.01Å; R152-D154 PolarHBondContact NH2-OD2 2.71Å; D154-V159 HydrophobicContact CB-CG2 4.23Å | ||
| 155 | A | 91.3 | Very high | 89.5 | Confident | 57 Ų | 57 | 103.8 Ų | 103.8 | 47% | 0.471 | 55% | 0.552 | S | S | . | * | trans | -62.5 | 143.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 110.7 | E157 A158 V159 | A155-E157 PolarHBondContact O-N 2.92Å; A155-A158 WeakPolarHBondContact O-CB 3.34Å; A155-A158 PolarHBondContact O-N 3.28Å; A155-V159 PolarHBondContact O-N 3.19Å | ||
| 156 | P | 94.2 | Very high | 89.8 | Confident | 96 Ų | 96 | 101.7 Ų | 101.7 | 62% | 0.623 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -56.3 | -37.4 | -178.8 | 22 | -33 | 0 | 0 | 0 | 112.4 | A158 V159 E160 | P156-A158 VanDerWaalsContact C-N 3.29Å; P156-A158 PolarHBondContact O-N 3.48Å; P156-V159 WeakPolarHBondContact O-CB 3.32Å; P156-V159 PolarHBondContact O-N 2.89Å; P156-V159 VanDerWaalsContact O-N 3.17Å; P156-E160 WeakPolarHBondContact O-CG 3.48Å; P156-E160 PolarHBondContact O-N 3.5Å |
| 157 | E | 93.2 | Very high | 90.4 | Very high | 140 Ų | 140 | 105 Ų | 105 | 65% | 0.654 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -60.3 | -34.4 | 176.3 | -60.2 | 179.6 | -177.8 | 0 | 0 | 113.5 | A155 R161 | A155-E157 PolarHBondContact O-N 2.92Å; E157-R161 WeakPolarHBondContact O-CB 3.28Å; E157-R161 PolarHBondContact O-N 2.88Å |
| 158 | A | 92.1 | Very high | 90.9 | Very high | 38 Ų | 38 | 101.5 Ų | 101.5 | 31% | 0.314 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71 | -40.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | A155 P156 R161 L162 | A155-A158 WeakPolarHBondContact O-CB 3.34Å; A155-A158 PolarHBondContact O-N 3.28Å; P156-A158 VanDerWaalsContact C-N 3.29Å; P156-A158 PolarHBondContact O-N 3.48Å; A158-R161 PolarHBondContact O-N 3.45Å; A158-L162 PolarHBondContact O-N 2.83Å; A158-L162 VanDerWaalsContact O-N 3.08Å |
| 159 | V | 94.8 | Very high | 91.6 | Very high | 82 Ų | 82 | 101.2 Ų | 101.2 | 50% | 0.497 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 174.8 | -179.1 | 0 | 0 | 0 | 0 | 110.6 | D154 A155 P156 R161 L162 A163 | D154-V159 HydrophobicContact CB-CG2 4.23Å; A155-V159 PolarHBondContact O-N 3.19Å; P156-V159 WeakPolarHBondContact O-CB 3.32Å; P156-V159 PolarHBondContact O-N 2.89Å; P156-V159 VanDerWaalsContact O-N 3.17Å; V159-R161 PolarHBondContact O-N 2.85Å; V159-L162 PolarHBondContact O-N 3.16Å; V159-A163 WeakPolarHBondContact O-CB 3.47Å; V159-A163 PolarHBondContact O-N 3.44Å |
| 160 | E | 96.1 | Very high | 92.2 | Very high | 135 Ų | 135 | 99.3 Ų | 99.3 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.2 | -41.1 | 176.1 | -74 | 179.2 | -175.1 | 0 | 0 | 112.5 | P156 L162 A163 K164 | P156-E160 WeakPolarHBondContact O-CG 3.48Å; P156-E160 PolarHBondContact O-N 3.5Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.13Å; E160-A163 PolarHBondContact O-N 3.35Å; E160-K164 WeakPolarHBondContact O-CB 3.5Å; E160-K164 PolarHBondContact O-N 3Å |
| 161 | R | 93.6 | Very high | 92.8 | Very high | 148 Ų | 148 | 97.8 Ų | 97.8 | 56% | 0.558 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -60.3 | -43.6 | 175.4 | -168.5 | -171.9 | -48 | 169.9 | 6 | 111.6 | E157 A158 V159 Q165 | E157-R161 WeakPolarHBondContact O-CB 3.28Å; E157-R161 PolarHBondContact O-N 2.88Å; A158-R161 PolarHBondContact O-N 3.45Å; V159-R161 PolarHBondContact O-N 2.85Å; R161-Q165 PolarHBondContact O-N 2.89Å |
| 162 | L | 94.5 | Very high | 93.3 | Very high | 96 Ų | 96 | 96.2 Ų | 96.2 | 50% | 0.503 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.4 | -46.2 | 175.1 | 176.6 | 61.9 | 0 | 0 | 0 | 111.2 | A158 V159 E160 K164 Q165 I166 | A158-L162 PolarHBondContact O-N 2.83Å; A158-L162 VanDerWaalsContact O-N 3.08Å; V159-L162 PolarHBondContact O-N 3.16Å; E160-L162 VanDerWaalsContact C-N 3.33Å; E160-L162 PolarHBondContact O-N 3.13Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.98Å; L162-Q165 WeakPolarHBondContact O-CB 3.32Å; L162-Q165 PolarHBondContact O-N 3.46Å; L162-Q165 VanDerWaalsContact O-N 3.14Å; L162-I166 HydrophobicContact CD1-CD1 4.1Å; L162-I166 HydrophobicContact CD1-CG1 4.28Å; L162-I166 HydrophobicContact CG-CD1 3.96Å; L162-I166 WeakPolarHBondContact O-CG1 3.28Å; L162-I166 PolarHBondContact O-N 2.92Å |
| 163 | A | 96.7 | Very high | 93.6 | Very high | 44 Ų | 44 | 100.5 Ų | 100.5 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.9 | -46 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | V159 E160 Q165 I166 I167 | V159-A163 WeakPolarHBondContact O-CB 3.47Å; V159-A163 PolarHBondContact O-N 3.44Å; E160-A163 PolarHBondContact O-N 3.35Å; A163-Q165 PolarHBondContact O-N 2.65Å; A163-I166 PolarHBondContact O-N 2.95Å; A163-I167 VanDerWaalsContact O-CG1 3.32Å; A163-I167 WeakPolarHBondContact O-CG1 3.44Å; A163-I167 PolarHBondContact O-N 2.88Å |
| 164 | K | 96.2 | Very high | 93.8 | Very high | 132 Ų | 132 | 99.8 Ų | 99.8 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -58 | -47.1 | 174.1 | -175.1 | -179.7 | 178.3 | 178.8 | 0 | 111.7 | E160 L162 I166 I167 E168 | E160-K164 WeakPolarHBondContact O-CB 3.5Å; E160-K164 PolarHBondContact O-N 3Å; L162-K164 VanDerWaalsContact C-N 3.33Å; L162-K164 PolarHBondContact O-N 2.98Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.36Å; K164-I167 PolarHBondContact O-N 3.23Å; K164-E168 WeakPolarHBondContact CE-OE1 3.26Å; K164-E168 WeakPolarHBondContact O-CG 3.45Å; K164-E168 PolarHBondContact O-N 2.95Å |
| 165 | Q | 94.2 | Very high | 93.9 | Very high | 62 Ų | 62 | 99.3 Ų | 99.3 | 29% | 0.29 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61 | -39.2 | 177.8 | 179 | 177.8 | -21.6 | 0 | 0 | 112.1 | R161 L162 A163 Q169 | R161-Q165 PolarHBondContact O-N 2.89Å; L162-Q165 WeakPolarHBondContact O-CB 3.32Å; L162-Q165 PolarHBondContact O-N 3.46Å; L162-Q165 VanDerWaalsContact O-N 3.14Å; A163-Q165 PolarHBondContact O-N 2.65Å; Q165-Q169 VanDerWaalsContact O-CG 3.3Å; Q165-Q169 WeakPolarHBondContact O-CG 3.31Å; Q165-Q169 PolarHBondContact O-N 3.26Å |
| 166 | I | 95.5 | Very high | 93.9 | Very high | 99 Ų | 99 | 105 Ų | 105 | 51% | 0.508 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 176.3 | -69.1 | 168.9 | 0 | 0 | 0 | 110.8 | L162 A163 K164 E168 Q169 G170 | L162-I166 HydrophobicContact CD1-CD1 4.1Å; L162-I166 HydrophobicContact CD1-CG1 4.28Å; L162-I166 HydrophobicContact CG-CD1 3.96Å; L162-I166 WeakPolarHBondContact O-CG1 3.28Å; L162-I166 PolarHBondContact O-N 2.92Å; A163-I166 PolarHBondContact O-N 2.95Å; K164-I166 VanDerWaalsContact C-N 3.32Å; K164-I166 PolarHBondContact O-N 3.36Å; I166-E168 PolarHBondContact O-N 3.28Å; I166-Q169 WeakPolarHBondContact O-CB 3.45Å; I166-Q169 PolarHBondContact O-N 2.94Å; I166-G170 PolarHBondContact O-N 3.39Å |
| 167 | I | 96.5 | Very high | 93.7 | Very high | 118 Ų | 118 | 105.3 Ų | 105.3 | 61% | 0.605 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -59.3 | -47.8 | 176.5 | -68 | 165 | 0 | 0 | 0 | 110.4 | A163 K164 Q169 G170 V171 | A163-I167 VanDerWaalsContact O-CG1 3.32Å; A163-I167 WeakPolarHBondContact O-CG1 3.44Å; A163-I167 PolarHBondContact O-N 2.88Å; K164-I167 PolarHBondContact O-N 3.23Å; I167-Q169 VanDerWaalsContact C-N 3.31Å; I167-Q169 PolarHBondContact O-N 2.86Å; I167-G170 WeakPolarHBondContact O-CA 3.26Å; I167-G170 PolarHBondContact O-N 2.91Å; I167-V171 PolarHBondContact O-N 3.47Å |
| 168 | E | 94.5 | Very high | 93.5 | Very high | 86 Ų | 86 | 109 Ų | 109 | 40% | 0.402 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.9 | -39.1 | 176.6 | -73.6 | -179.5 | -164.2 | 0 | 0 | 112.6 | K164 I166 G170 V171 K172 | K164-E168 WeakPolarHBondContact CE-OE1 3.26Å; K164-E168 WeakPolarHBondContact O-CG 3.45Å; K164-E168 PolarHBondContact O-N 2.95Å; I166-E168 PolarHBondContact O-N 3.28Å; E168-G170 VanDerWaalsContact C-N 3.34Å; E168-V171 PolarHBondContact O-N 3.24Å; E168-K172 WeakPolarHBondContact O-CG 3.45Å; E168-K172 PolarHBondContact O-N 2.92Å |
| 169 | Q | 93.4 | Very high | 93.5 | Very high | 48 Ų | 48 | 118.7 Ų | 118.7 | 22% | 0.224 | 57% | 0.565 | C | S | . | * | H | α-helix | trans | -65 | -38.1 | 173.6 | -75 | -178.9 | 44 | 0 | 0 | 112.1 | M118 Q165 I166 I167 K172 R173 | M118-Q169 HydrophobicContact SD-CG 4.34Å; M118-Q169 PolarHBondContact SD-NE2 3.43Å; Q165-Q169 VanDerWaalsContact O-CG 3.3Å; Q165-Q169 WeakPolarHBondContact O-CG 3.31Å; Q165-Q169 PolarHBondContact O-N 3.26Å; I166-Q169 WeakPolarHBondContact O-CB 3.45Å; I166-Q169 PolarHBondContact O-N 2.94Å; I167-Q169 VanDerWaalsContact C-N 3.31Å; I167-Q169 PolarHBondContact O-N 2.86Å; Q169-K172 PolarHBondContact O-N 3.4Å; Q169-R173 WeakPolarHBondContact O-CB 3.43Å; Q169-R173 PolarHBondContact O-N 2.96Å |
| 170 | G | 94.3 | Very high | 93.2 | Very high | 34 Ų | 34 | 125.6 Ų | 125.6 | 35% | 0.351 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.4 | -44.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I166 I167 E168 R173 K174 | I166-G170 PolarHBondContact O-N 3.39Å; I167-G170 WeakPolarHBondContact O-CA 3.26Å; I167-G170 PolarHBondContact O-N 2.91Å; E168-G170 VanDerWaalsContact C-N 3.34Å; G170-R173 PolarHBondContact O-N 3.21Å; G170-K174 WeakPolarHBondContact O-CG 3.33Å; G170-K174 PolarHBondContact O-N 3.39Å |
| 171 | V | 94.3 | Very high | 93 | Very high | 96 Ų | 96 | 125.2 Ų | 125.2 | 58% | 0.582 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.3 | -48.1 | 175 | 177.5 | 0 | 0 | 0 | 0 | 111.1 | I167 E168 R173 K174 A175 | I167-V171 PolarHBondContact O-N 3.47Å; E168-V171 PolarHBondContact O-N 3.24Å; V171-R173 VanDerWaalsContact C-N 3.29Å; V171-R173 PolarHBondContact O-N 3.15Å; V171-K174 PolarHBondContact O-N 3.38Å; V171-A175 PolarHBondContact O-N 2.91Å |
| 172 | K | 91.8 | Very high | 92.8 | Very high | 104 Ų | 104 | 124.2 Ų | 124.2 | 45% | 0.452 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -60.4 | -37 | 178.2 | -71.8 | 169.8 | -174.2 | 158.1 | 0 | 112.4 | E168 Q169 A175 Y176 | E168-K172 WeakPolarHBondContact O-CG 3.45Å; E168-K172 PolarHBondContact O-N 2.92Å; Q169-K172 PolarHBondContact O-N 3.4Å; K172-A175 PolarHBondContact O-N 3.44Å; K172-Y176 PolarHBondContact O-N 3.31Å |
| 173 | R | 92.1 | Very high | 92.6 | Very high | 215 Ų | 215 | 124.2 Ų | 124.2 | 81% | 0.811 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -65.7 | -41.2 | 177.4 | -173.4 | 178.6 | 178.2 | -178.7 | -0.6 | 111.9 | Q169 G170 V171 A175 Y176 | Q169-R173 WeakPolarHBondContact O-CB 3.43Å; Q169-R173 PolarHBondContact O-N 2.96Å; G170-R173 PolarHBondContact O-N 3.21Å; V171-R173 VanDerWaalsContact C-N 3.29Å; V171-R173 PolarHBondContact O-N 3.15Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 2.9Å; R173-Y176 VanDerWaalsContact O-CB 3.3Å; R173-Y176 WeakPolarHBondContact O-CB 3.31Å; R173-Y176 PolarHBondContact O-N 2.87Å |
| 174 | K | 91.7 | Very high | 92.3 | Very high | 185 Ų | 185 | 125.6 Ų | 125.6 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -62.5 | -34.9 | 176 | -70.4 | 178.5 | -179.4 | -178.3 | 0 | 112.2 | G170 V171 Y176 | G170-K174 WeakPolarHBondContact O-CG 3.33Å; G170-K174 PolarHBondContact O-N 3.39Å; V171-K174 PolarHBondContact O-N 3.38Å; K174-Y176 VanDerWaalsContact C-N 3.3Å; K174-Y176 PolarHBondContact O-N 3.27Å |
| 175 | A | 91.5 | Very high | 92.1 | Very high | 70 Ų | 70 | 126.5 Ų | 126.5 | 58% | 0.579 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | 3.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | V171 K172 R173 S177 | V171-A175 PolarHBondContact O-N 2.91Å; K172-A175 PolarHBondContact O-N 3.44Å; R173-A175 VanDerWaalsContact C-N 3.27Å; R173-A175 PolarHBondContact O-N 2.9Å; A175-S177 PolarHBondContact O-N 3.19Å |
| 176 | Y | 90.1 | Very high | 91.9 | Very high | 177 Ų | 177 | 126 Ų | 126 | 69% | 0.694 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.2 | -42.2 | -178.3 | -179.7 | -105.5 | 0 | 0 | 0 | 112.3 | K172 R173 K174 | K172-Y176 PolarHBondContact O-N 3.31Å; R173-Y176 VanDerWaalsContact O-CB 3.3Å; R173-Y176 WeakPolarHBondContact O-CB 3.31Å; R173-Y176 PolarHBondContact O-N 2.87Å; K174-Y176 VanDerWaalsContact C-N 3.3Å; K174-Y176 PolarHBondContact O-N 3.27Å |
| 177 | S | 90.4 | Very high | 91.6 | Very high | 102 Ų | 102 | 128.6 Ų | 128.6 | 71% | 0.713 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -95.2 | 106.8 | 172.5 | -171.3 | 0 | 0 | 0 | 0 | 109.8 | A175 | A175-S177 PolarHBondContact O-N 3.19Š|
| 178 | R | 90.2 | Very high | 91.3 | Very high | 217 Ų | 217 | 128.4 Ų | 128.4 | 82% | 0.819 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -77.1 | 135.3 | 175.3 | 63.4 | 178.4 | 70.5 | -172.3 | 2.9 | 110.1 | R180 | R178-R180 PolarHBondContact O-N 2.97Š|
| 179 | R | 90.4 | Very high | 91.2 | Very high | 242 Ų | 242 | 129.5 Ų | 129.5 | 91% | 0.913 | 64% | 0.644 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 128.8 | 169.7 | -68.8 | -169.4 | 174.3 | -152 | 0.3 | 109.1 | ||
| 180 | R | 90.1 | Very high | 91.2 | Very high | 227 Ų | 227 | 129.6 Ų | 129.6 | 86% | 0.857 | 64% | 0.643 | S | S | * | * | P | Polyproline II helix | trans | -78 | 141.3 | 170.3 | -66.4 | 177.4 | 178.2 | -98.1 | 2.2 | 108.3 | R178 | R178-R180 PolarHBondContact O-N 2.97Š|
| 181 | P | 90.7 | Very high | 91.1 | Very high | 127 Ų | 127 | 135.8 Ų | 135.8 | 83% | 0.825 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -59.5 | 143.5 | 175.7 | 26.8 | -33.7 | 0 | 0 | 0 | 109.8 | ||
| 182 | F | 89.1 | Confident | 91.1 | Very high | 127 Ų | 127 | 135.4 Ų | 135.4 | 56% | 0.557 | 66% | 0.66 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 125.9 | 173.2 | 178.6 | -109.9 | 0 | 0 | 0 | 108.7 | A184 Y190 | F182-A184 HydrophobicContact CD1-CB 4.48Å; F182-A184 HydrophobicContact CE1-CB 4.08Å; F182-Y190 WeakPolarHBondContact CE2-OH 3.34Å |
| 183 | D | 90.5 | Very high | 91.1 | Very high | 97 Ų | 97 | 135.2 Ų | 135.2 | 52% | 0.519 | 66% | 0.661 | S | S | . | * | P | Polyproline II helix | trans | -92.4 | 117.2 | 170.7 | -170.6 | -5.1 | 0 | 0 | 0 | 108.2 | D185 A186 | D183-D185 VanDerWaalsContact C-N 3.31Å; D183-D185 PolarHBondContact OD1-N 3.46Å; D183-D185 VanDerWaalsContact OD1-N 3.14Å; D183-A186 HydrophobicContact CB-CB 4.21Å |
| 184 | A | 90.4 | Very high | 91.2 | Very high | 73 Ų | 73 | 135.2 Ų | 135.2 | 60% | 0.603 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -79.2 | -18 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | F182 | F182-A184 HydrophobicContact CD1-CB 4.48Å; F182-A184 HydrophobicContact CE1-CB 4.08Å |
| 185 | D | 92.2 | Very high | 91.4 | Very high | 151 Ų | 151 | 128.9 Ų | 128.9 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -93.7 | -3.9 | -177.2 | -60.9 | -30.4 | 0 | 0 | 0 | 112.3 | D183 | D183-D185 VanDerWaalsContact C-N 3.31Å; D183-D185 PolarHBondContact OD1-N 3.46Å; D183-D185 VanDerWaalsContact OD1-N 3.14Å |
| 186 | A | 90.6 | Very high | 91.5 | Very high | 51 Ų | 51 | 127.2 Ų | 127.2 | 42% | 0.421 | 62% | 0.616 | S | S | . | * | S | Bend | trans | -73.7 | 138.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | D183 I188 | D183-A186 HydrophobicContact CB-CB 4.21Å; A186-I188 PolarHBondContact O-N 3.31Å |
| 187 | D | 89.3 | Confident | 91.7 | Very high | 154 Ų | 154 | 125.8 Ų | 125.8 | 82% | 0.824 | 61% | 0.609 | S | S | * | * | trans | -55.6 | 124 | 176.3 | -65.2 | -35.8 | 0 | 0 | 0 | 111.3 | D189 | D187-D189 PolarHBondContact O-N 3Š| ||
| 188 | I | 90.7 | Very high | 92 | Very high | 114 Ų | 114 | 127.4 Ų | 127.4 | 59% | 0.585 | 60% | 0.601 | S | S | * | * | trans | -88.2 | 104 | -175.9 | -58.8 | 172.4 | 0 | 0 | 0 | 109.2 | A186 Y190 | A186-I188 PolarHBondContact O-N 3.31Å; I188-Y190 HydrophobicContact CG2-CD1 4.05Å; I188-Y190 HydrophobicContact CG2-CD2 4.21Å; I188-Y190 HydrophobicContact CG2-CE1 3.89Å; I188-Y190 HydrophobicContact CG2-CE2 4.1Å; I188-Y190 HydrophobicContact CG2-CG 4.19Å; I188-Y190 VanDerWaalsContact CG2-O 3.31Å; I188-Y190 WeakPolarHBondContact CG2-O 3.31Å | ||
| 189 | D | 91.9 | Very high | 92.2 | Very high | 109 Ų | 109 | 118.4 Ų | 118.4 | 58% | 0.583 | 57% | 0.569 | S | S | * | * | trans | -94.4 | 10.5 | 177.1 | 70.2 | -0.6 | 0 | 0 | 0 | 113.8 | D187 N199 | D187-D189 PolarHBondContact O-N 3Å; D189-N199 PolarHBondContact O-ND2 3.28Å; D189-N199 PolarHBondContact OD1-ND2 2.93Å; D189-N199 PolarHBondContact OD2-ND2 3.16Å | ||
| 190 | Y | 93.1 | Very high | 92.4 | Very high | 50 Ų | 50 | 111.3 Ų | 111.3 | 20% | 0.196 | 55% | 0.546 | C | S | . | . | trans | -133 | 148.1 | -172.3 | 60.4 | -91.4 | 0 | 0 | 0 | 113.3 | F182 I188 K196 | F182-Y190 WeakPolarHBondContact CE2-OH 3.34Å; I188-Y190 HydrophobicContact CG2-CD1 4.05Å; I188-Y190 HydrophobicContact CG2-CD2 4.21Å; I188-Y190 HydrophobicContact CG2-CE1 3.89Å; I188-Y190 HydrophobicContact CG2-CE2 4.1Å; I188-Y190 HydrophobicContact CG2-CG 4.19Å; I188-Y190 VanDerWaalsContact CG2-O 3.31Å; I188-Y190 WeakPolarHBondContact CG2-O 3.31Å; Y190-K196 HydrophobicContact CD1-CB 3.73Å; Y190-K196 HydrophobicContact CD1-CD 4.3Å; Y190-K196 HydrophobicContact CD1-CG 3.66Å; Y190-K196 HydrophobicContact CD2-CB 3.65Å; Y190-K196 HydrophobicContact CD2-CD 4.44Å; Y190-K196 HydrophobicContact CD2-CG 4.24Å; Y190-K196 HydrophobicContact CE1-CB 4.08Å; Y190-K196 HydrophobicContact CE1-CD 3.78Å; Y190-K196 HydrophobicContact CE1-CG 3.61Å; Y190-K196 HydrophobicContact CE2-CB 3.96Å; Y190-K196 HydrophobicContact CE2-CD 3.9Å; Y190-K196 HydrophobicContact CE2-CG 4.16Å; Y190-K196 HydrophobicContact CG-CB 3.52Å; Y190-K196 HydrophobicContact CG-CG 4Å | ||
| 191 | I | 92.6 | Very high | 92.7 | Very high | 164 Ų | 164 | 103.6 Ų | 103.6 | 84% | 0.841 | 52% | 0.521 | S | S | * | . | S | Bend | trans | -93 | -31.3 | 176.4 | -57.5 | 172.8 | 0 | 0 | 0 | 111.4 | ||
| 192 | N | 93 | Very high | 92.9 | Very high | 87 Ų | 87 | 100.4 Ų | 100.4 | 47% | 0.465 | 50% | 0.497 | S | S | . | . | S | Bend | trans | -139.7 | 165.2 | -178.1 | 69.1 | 42.6 | 0 | 0 | 0 | 111.9 | R194 N195 K196 | N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 3.49Å; N192-R194 WeakPolarHBondContact OD1-CB 3.47Å; N192-R194 PolarHBondContact OD1-N 3.46Å; N192-R194 VanDerWaalsContact OD1-N 3.09Å; N192-N195 WeakPolarHBondContact O-CB 3.27Å; N192-N195 PolarHBondContact O-N 3.49Å; N192-N195 VanDerWaalsContact O-N 3.15Å; N192-N195 VanDerWaalsContact OD1-CB 3.28Å; N192-N195 WeakPolarHBondContact OD1-CB 3.44Å; N192-N195 PolarHBondContact OD1-N 2.96Å; N192-K196 PolarHBondContact O-N 2.98Å |
| 193 | E | 92.5 | Very high | 93.2 | Very high | 100 Ų | 100 | 99 Ų | 99 | 47% | 0.467 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.3 | -30.1 | -178.1 | 175.4 | 62.4 | -165.3 | 0 | 0 | 113.2 | R197 | E193-R197 WeakPolarHBondContact O-CG 3.28Å; E193-R197 PolarHBondContact O-N 2.93Å; E193-R197 IonicContact OE1-CZ 3.59Å; E193-R197 IonicContact OE1-NE 2.92Å; E193-R197 PolarHBondContact OE1-NE 2.94Å; E193-R197 IonicContact OE1-NH2 3.34Å; E193-R197 PolarHBondContact OE1-NH2 3.34Å |
| 194 | R | 95.4 | Very high | 93.5 | Very high | 216 Ų | 216 | 102.3 Ų | 102.3 | 82% | 0.815 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -70.3 | -40.2 | 176.4 | -172.4 | 179.1 | -179.1 | 115.2 | -0.2 | 111 | N192 R197 Y198 | N192-R194 VanDerWaalsContact C-N 3.26Å; N192-R194 PolarHBondContact O-N 3.49Å; N192-R194 WeakPolarHBondContact OD1-CB 3.47Å; N192-R194 PolarHBondContact OD1-N 3.46Å; N192-R194 VanDerWaalsContact OD1-N 3.09Å; R194-R197 PolarHBondContact O-N 2.93Å; R194-Y198 PolarHBondContact O-N 3.34Å; R194-Y198 VanDerWaalsContact O-N 3.13Å |
| 195 | N | 95.1 | Very high | 93.8 | Very high | 52 Ų | 52 | 104.5 Ų | 104.5 | 28% | 0.278 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66 | -44.2 | 176.5 | -169.4 | 9.1 | 0 | 0 | 0 | 109.9 | N192 R197 Y198 N199 | N192-N195 WeakPolarHBondContact O-CB 3.27Å; N192-N195 PolarHBondContact O-N 3.49Å; N192-N195 VanDerWaalsContact O-N 3.15Å; N192-N195 VanDerWaalsContact OD1-CB 3.28Å; N192-N195 WeakPolarHBondContact OD1-CB 3.44Å; N192-N195 PolarHBondContact OD1-N 2.96Å; N195-R197 PolarHBondContact O-N 3.29Å; N195-Y198 CarbonylContact O-C 3.59Å; N195-Y198 WeakPolarHBondContact O-CA 3.4Å; N195-Y198 WeakPolarHBondContact O-CB 3.25Å; N195-Y198 PolarHBondContact O-N 2.98Å; N195-N199 PolarHBondContact O-N 3.44Å; N195-N199 PolarHBondContact OD1-OD1 2.92Å |
| 196 | K | 93.8 | Very high | 94 | Very high | 35 Ų | 35 | 103.9 Ų | 103.9 | 15% | 0.152 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -50.1 | -53.3 | 172.5 | -174.9 | -177.3 | -177.8 | 173.3 | 0 | 112.6 | Y190 N192 Y198 N199 E200 | Y190-K196 HydrophobicContact CD1-CB 3.73Å; Y190-K196 HydrophobicContact CD1-CD 4.3Å; Y190-K196 HydrophobicContact CD1-CG 3.66Å; Y190-K196 HydrophobicContact CD2-CB 3.65Å; Y190-K196 HydrophobicContact CD2-CD 4.44Å; Y190-K196 HydrophobicContact CD2-CG 4.24Å; Y190-K196 HydrophobicContact CE1-CB 4.08Å; Y190-K196 HydrophobicContact CE1-CD 3.78Å; Y190-K196 HydrophobicContact CE1-CG 3.61Å; Y190-K196 HydrophobicContact CE2-CB 3.96Å; Y190-K196 HydrophobicContact CE2-CD 3.9Å; Y190-K196 HydrophobicContact CE2-CG 4.16Å; Y190-K196 HydrophobicContact CG-CB 3.52Å; Y190-K196 HydrophobicContact CG-CG 4Å; N192-K196 PolarHBondContact O-N 2.98Å; K196-Y198 PolarHBondContact O-N 3.33Å; K196-N199 PolarHBondContact O-N 3.08Å; K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.34Å; K196-E200 PolarHBondContact O-N 3.31Å |
| 197 | R | 93.9 | Very high | 94.3 | Very high | 147 Ų | 147 | 102.2 Ų | 102.2 | 56% | 0.555 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -64.8 | -29.9 | -179.7 | -69.3 | -179.7 | -170.4 | -177.6 | 5.2 | 113 | E193 R194 N195 L201 | E193-R197 WeakPolarHBondContact O-CG 3.28Å; E193-R197 PolarHBondContact O-N 2.93Å; E193-R197 IonicContact OE1-CZ 3.59Å; E193-R197 IonicContact OE1-NE 2.92Å; E193-R197 PolarHBondContact OE1-NE 2.94Å; E193-R197 IonicContact OE1-NH2 3.34Å; E193-R197 PolarHBondContact OE1-NH2 3.34Å; R194-R197 PolarHBondContact O-N 2.93Å; N195-R197 PolarHBondContact O-N 3.29Å; R197-L201 WeakPolarHBondContact O-CB 3.37Å; R197-L201 PolarHBondContact O-N 3.49Å; R197-L201 VanDerWaalsContact O-N 3.08Å |
| 198 | Y | 96.5 | Very high | 94.6 | Very high | 135 Ų | 135 | 103.2 Ų | 103.2 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.1 | -43.9 | 175.2 | -173.7 | -105.4 | 0 | 0 | 0 | 111.1 | R194 N195 K196 E200 L201 L202 | R194-Y198 PolarHBondContact O-N 3.34Å; R194-Y198 VanDerWaalsContact O-N 3.13Å; N195-Y198 CarbonylContact O-C 3.59Å; N195-Y198 WeakPolarHBondContact O-CA 3.4Å; N195-Y198 WeakPolarHBondContact O-CB 3.25Å; N195-Y198 PolarHBondContact O-N 2.98Å; K196-Y198 PolarHBondContact O-N 3.33Å; Y198-E200 PolarHBondContact O-N 3.4Å; Y198-L201 HydrophobicContact CD2-CD2 4.49Å; Y198-L201 CarbonylContact O-C 3.6Å; Y198-L201 WeakPolarHBondContact O-CA 3.42Å; Y198-L201 VanDerWaalsContact O-CB 3.29Å; Y198-L201 WeakPolarHBondContact O-CB 3.41Å; Y198-L201 PolarHBondContact O-N 3.49Å; Y198-L202 HydrophobicContact CD1-CD1 3.99Å; Y198-L202 HydrophobicContact CD1-CG 4.31Å; Y198-L202 HydrophobicContact CE1-CD1 3.63Å; Y198-L202 HydrophobicContact CE1-CD2 4.3Å; Y198-L202 HydrophobicContact CE1-CG 4.02Å; Y198-L202 WeakPolarHBondContact O-CG 3.29Å; Y198-L202 PolarHBondContact O-N 3.14Å |
| 199 | N | 94.9 | Very high | 94.8 | Very high | 28 Ų | 28 | 106.1 Ų | 106.1 | 15% | 0.15 | 48% | 0.475 | C | S | . | . | H | α-helix | trans | -59.7 | -44.4 | 171.7 | -68.6 | -9 | 0 | 0 | 0 | 111.4 | D189 N195 K196 L201 L202 D203 | D189-N199 PolarHBondContact O-ND2 3.28Å; D189-N199 PolarHBondContact OD1-ND2 2.93Å; D189-N199 PolarHBondContact OD2-ND2 3.16Å; N195-N199 PolarHBondContact O-N 3.44Å; N195-N199 PolarHBondContact OD1-OD1 2.92Å; K196-N199 PolarHBondContact O-N 3.08Å; N199-L201 PolarHBondContact O-N 2.96Å; N199-L202 PolarHBondContact O-N 2.83Å; N199-L202 VanDerWaalsContact O-N 3.11Å; N199-D203 WeakPolarHBondContact O-CB 3.43Å; N199-D203 PolarHBondContact O-N 3.47Å |
| 200 | E | 94.2 | Very high | 94.9 | Very high | 93 Ų | 93 | 103.6 Ų | 103.6 | 44% | 0.435 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -61 | -28.7 | 172.6 | -72.5 | 174.7 | -176.7 | 0 | 0 | 113 | K196 Y198 R204 | K196-E200 VanDerWaalsContact CE-OE1 3.3Å; K196-E200 WeakPolarHBondContact CE-OE1 3.48Å; K196-E200 WeakPolarHBondContact O-CG 3.34Å; K196-E200 PolarHBondContact O-N 3.31Å; Y198-E200 PolarHBondContact O-N 3.4Å; E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 PolarHBondContact O-NE 3.5Å |
| 201 | L | 96.1 | Very high | 95 | Very high | 65 Ų | 65 | 103.3 Ų | 103.3 | 34% | 0.34 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -73.4 | -45.5 | 172.6 | 179.1 | 68.1 | 0 | 0 | 0 | 110.8 | R197 Y198 N199 R204 H205 | R197-L201 WeakPolarHBondContact O-CB 3.37Å; R197-L201 PolarHBondContact O-N 3.49Å; R197-L201 VanDerWaalsContact O-N 3.08Å; Y198-L201 HydrophobicContact CD2-CD2 4.49Å; Y198-L201 CarbonylContact O-C 3.6Å; Y198-L201 WeakPolarHBondContact O-CA 3.42Å; Y198-L201 VanDerWaalsContact O-CB 3.29Å; Y198-L201 WeakPolarHBondContact O-CB 3.41Å; Y198-L201 PolarHBondContact O-N 3.49Å; N199-L201 PolarHBondContact O-N 2.96Å; L201-R204 VanDerWaalsContact CA-NH2 3.35Å; L201-R204 PolarHBondContact O-N 2.79Å; L201-H205 PolarHBondContact O-CD2 2.84Å; L201-H205 VanDerWaalsContact O-CD2 3.3Å; L201-H205 PolarHBondContact O-N 3.1Å |
| 202 | L | 96.3 | Very high | 94.9 | Very high | 61 Ų | 61 | 102.2 Ų | 102.2 | 32% | 0.319 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 176.7 | -67.5 | 178.5 | 0 | 0 | 0 | 111.4 | Y198 N199 R204 H205 Y206 | Y198-L202 HydrophobicContact CD1-CD1 3.99Å; Y198-L202 HydrophobicContact CD1-CG 4.31Å; Y198-L202 HydrophobicContact CE1-CD1 3.63Å; Y198-L202 HydrophobicContact CE1-CD2 4.3Å; Y198-L202 HydrophobicContact CE1-CG 4.02Å; Y198-L202 WeakPolarHBondContact O-CG 3.29Å; Y198-L202 PolarHBondContact O-N 3.14Å; N199-L202 PolarHBondContact O-N 2.83Å; N199-L202 VanDerWaalsContact O-N 3.11Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.42Å; L202-H205 PolarHBondContact O-N 3.41Å; L202-Y206 HydrophobicContact CB-CD2 4.37Å; L202-Y206 HydrophobicContact CD2-CD2 3.87Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.45Å; L202-Y206 WeakPolarHBondContact O-CD2 3.41Å; L202-Y206 PolarHBondContact O-N 2.86Å |
| 203 | D | 95.1 | Very high | 94.9 | Very high | 98 Ų | 98 | 103 Ų | 103 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 178.9 | -171.8 | 56.5 | 0 | 0 | 0 | 111.9 | N199 H205 G207 | N199-D203 WeakPolarHBondContact O-CB 3.43Å; N199-D203 PolarHBondContact O-N 3.47Å; D203-H205 VanDerWaalsContact C-N 3.32Å; D203-H205 PolarHBondContact O-N 2.92Å; D203-G207 VanDerWaalsContact O-CA 3.25Å; D203-G207 WeakPolarHBondContact O-CA 3.35Å; D203-G207 PolarHBondContact O-N 3.43Å |
| 204 | R | 95.7 | Very high | 94.9 | Very high | 166 Ų | 166 | 103.8 Ų | 103.8 | 63% | 0.626 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.9 | -35.6 | 175.5 | -81 | 180 | -77.8 | 132.1 | -9.7 | 114 | E200 L201 L202 | E200-R204 WeakPolarHBondContact O-CG 3.36Å; E200-R204 PolarHBondContact O-N 2.9Å; E200-R204 PolarHBondContact O-NE 3.5Å; L201-R204 VanDerWaalsContact CA-NH2 3.35Å; L201-R204 PolarHBondContact O-N 2.79Å; L202-R204 VanDerWaalsContact C-N 3.33Å; L202-R204 PolarHBondContact O-N 3.42Å |
| 205 | H | 96.8 | Very high | 94.7 | Very high | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.546 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -93.9 | -40.9 | -176.9 | -75.7 | -77.9 | 0 | 0 | 0 | 113.2 | L201 L202 D203 | L201-H205 PolarHBondContact O-CD2 2.84Å; L201-H205 VanDerWaalsContact O-CD2 3.3Å; L201-H205 PolarHBondContact O-N 3.1Å; L202-H205 PolarHBondContact O-N 3.41Å; D203-H205 VanDerWaalsContact C-N 3.32Å; D203-H205 PolarHBondContact O-N 2.92Å |
| 206 | Y | 97.4 | Very high | 94.6 | Very high | 138 Ų | 138 | 96.5 Ų | 96.5 | 54% | 0.541 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -107.8 | -21.3 | -171.3 | -59.9 | -70.1 | 0 | 0 | 0 | 113.8 | L202 K208 Y209 T210 | L202-Y206 HydrophobicContact CB-CD2 4.37Å; L202-Y206 HydrophobicContact CD2-CD2 3.87Å; L202-Y206 HydrophobicContact CD2-CE2 3.77Å; L202-Y206 WeakPolarHBondContact O-CB 3.45Å; L202-Y206 WeakPolarHBondContact O-CD2 3.41Å; L202-Y206 PolarHBondContact O-N 2.86Å; Y206-K208 PolarHBondContact O-N 3.48Å; Y206-K208 VanDerWaalsContact O-N 3.08Å; Y206-Y209 CarbonylContact O-C 3.56Å; Y206-Y209 WeakPolarHBondContact O-CA 3.43Å; Y206-Y209 PolarHBondContact O-N 3.31Å; Y206-T210 PolarHBondContact O-N 3.36Å; Y206-T210 PolarHBondContact O-OG1 2.96Å; Y206-T210 VanDerWaalsContact O-OG1 3.12Å |
| 207 | G | 95.4 | Very high | 94.5 | Very high | 16 Ų | 16 | 100.2 Ų | 100.2 | 17% | 0.165 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -32.6 | -176 | 0 | 0 | 0 | 0 | 0 | 113.6 | D203 Y209 A211 | D203-G207 VanDerWaalsContact O-CA 3.25Å; D203-G207 WeakPolarHBondContact O-CA 3.35Å; D203-G207 PolarHBondContact O-N 3.43Å; G207-Y209 VanDerWaalsContact C-N 3.33Å; G207-Y209 PolarHBondContact O-N 2.89Å; G207-A211 PolarHBondContact O-N 3.45Å |
| 208 | K | 95.8 | Very high | 94.3 | Very high | 176 Ų | 176 | 99.4 Ų | 99.4 | 77% | 0.765 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -38.2 | 172.4 | -176.2 | -178.8 | 176.8 | -174.2 | 0 | 112.8 | Y206 | Y206-K208 PolarHBondContact O-N 3.48Å; Y206-K208 VanDerWaalsContact O-N 3.08Å |
| 209 | Y | 96.5 | Very high | 94 | Very high | 174 Ų | 174 | 100.2 Ų | 100.2 | 68% | 0.682 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.6 | -26.5 | -175.8 | -55.1 | -72.3 | 0 | 0 | 0 | 112.6 | Y206 G207 | Y206-Y209 CarbonylContact O-C 3.56Å; Y206-Y209 WeakPolarHBondContact O-CA 3.43Å; Y206-Y209 PolarHBondContact O-N 3.31Å; G207-Y209 VanDerWaalsContact C-N 3.33Å; G207-Y209 PolarHBondContact O-N 2.89Å |
| 210 | T | 94.2 | Very high | 93.7 | Very high | 56 Ų | 56 | 101.4 Ų | 101.4 | 34% | 0.344 | 49% | 0.487 | S | S | . | . | S | Bend | trans | -98.3 | 10.3 | -179 | 60.6 | 0 | 0 | 0 | 0 | 113.3 | Y206 E212 I213 K214 | Y206-T210 PolarHBondContact O-N 3.36Å; Y206-T210 PolarHBondContact O-OG1 2.96Å; Y206-T210 VanDerWaalsContact O-OG1 3.12Å; T210-E212 VanDerWaalsContact C-N 3.3Å; T210-E212 PolarHBondContact O-N 3.31Å; T210-I213 PolarHBondContact O-N 3.48Å; T210-K214 PolarHBondContact O-N 3.24Å |
| 211 | A | 93.2 | Very high | 93.3 | Very high | 44 Ų | 44 | 102 Ų | 102 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.4 | -40.6 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G207 K214 Q215 | G207-A211 PolarHBondContact O-N 3.45Å; A211-K214 PolarHBondContact O-N 2.96Å; A211-Q215 WeakPolarHBondContact O-CG 3.34Å; A211-Q215 PolarHBondContact O-N 3.45Å |
| 212 | E | 92.4 | Very high | 92 | Very high | 141 Ų | 141 | 101.8 Ų | 101.8 | 66% | 0.659 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -44.1 | 177 | -174.1 | 177 | -176.7 | 0 | 0 | 111.9 | T210 K214 Q215 N216 | T210-E212 VanDerWaalsContact C-N 3.3Å; T210-E212 PolarHBondContact O-N 3.31Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.07Å; E212-Q215 PolarHBondContact O-N 2.93Å; E212-N216 VanDerWaalsContact O-CG 3.27Å; E212-N216 PolarHBondContact O-N 3.37Å; E212-N216 PolarHBondContact O-OD1 2.92Å |
| 213 | I | 92.4 | Very high | 90.5 | Very high | 104 Ų | 104 | 109 Ų | 109 | 53% | 0.533 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 176.4 | -59 | 175 | 0 | 0 | 0 | 110.2 | T210 N216 L217 | T210-I213 PolarHBondContact O-N 3.48Å; I213-N216 PolarHBondContact O-N 2.88Å; I213-L217 HydrophobicContact CG2-CD1 4.38Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.37Å |
| 214 | K | 92.1 | Very high | 90.2 | Very high | 116 Ų | 116 | 109.6 Ų | 109.6 | 50% | 0.504 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177 | -173.8 | 174.6 | 179.8 | 175.3 | 0 | 111.7 | T210 A211 E212 N216 L217 E218 | T210-K214 PolarHBondContact O-N 3.24Å; A211-K214 PolarHBondContact O-N 2.96Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.07Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.17Å; K214-L217 PolarHBondContact O-N 2.99Å; K214-E218 WeakPolarHBondContact CE-OE1 3.36Å; K214-E218 WeakPolarHBondContact CG-OE1 3.46Å; K214-E218 WeakPolarHBondContact O-CG 3.44Å; K214-E218 PolarHBondContact O-N 2.87Å |
| 215 | Q | 92.2 | Very high | 89.9 | Confident | 88 Ų | 88 | 106.6 Ų | 106.6 | 41% | 0.411 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.4 | -38.9 | 175.9 | -71.4 | 177.1 | 16.4 | 0 | 0 | 112.6 | A211 E212 L217 E218 R219 | A211-Q215 WeakPolarHBondContact O-CG 3.34Å; A211-Q215 PolarHBondContact O-N 3.45Å; E212-Q215 PolarHBondContact O-N 2.93Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; Q215-E218 PolarHBondContact O-N 3.32Å; Q215-R219 WeakPolarHBondContact O-CB 3.29Å; Q215-R219 VanDerWaalsContact O-CG 3.26Å; Q215-R219 WeakPolarHBondContact O-CG 3.24Å; Q215-R219 PolarHBondContact O-N 3.38Å |
| 216 | N | 92.5 | Very high | 89.6 | Confident | 28 Ų | 28 | 106 Ų | 106 | 15% | 0.15 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -65.9 | -38.7 | 177.5 | -67.4 | -9.1 | 0 | 0 | 0 | 111.2 | E212 I213 K214 R219 G220 T221 | E212-N216 VanDerWaalsContact O-CG 3.27Å; E212-N216 PolarHBondContact O-N 3.37Å; E212-N216 PolarHBondContact O-OD1 2.92Å; I213-N216 PolarHBondContact O-N 2.88Å; K214-N216 VanDerWaalsContact C-N 3.33Å; K214-N216 PolarHBondContact O-N 3.17Å; N216-R219 PolarHBondContact O-N 2.92Å; N216-R219 PolarHBondContact OD1-NH1 2.96Å; N216-G220 PolarHBondContact O-N 3.19Å; N216-T221 VanDerWaalsContact O-CA 3.27Å; N216-T221 WeakPolarHBondContact O-CA 3.41Å; N216-T221 PolarHBondContact O-N 3.22Å |
| 217 | L | 91.6 | Very high | 89.1 | Confident | 113 Ų | 113 | 104.1 Ų | 104.1 | 59% | 0.592 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.6 | -45.3 | 172.8 | -69.3 | 170.8 | 0 | 0 | 0 | 111.8 | I213 K214 Q215 R219 G220 T221 | I213-L217 HydrophobicContact CG2-CD1 4.38Å; I213-L217 WeakPolarHBondContact O-CG 3.25Å; I213-L217 PolarHBondContact O-N 3.37Å; K214-L217 PolarHBondContact O-N 2.99Å; Q215-L217 VanDerWaalsContact C-N 3.34Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.3Å; L217-G220 PolarHBondContact O-N 3.26Å; L217-T221 HydrophobicContact CD2-CG2 3.92Å |
| 218 | E | 89.3 | Confident | 88.7 | Confident | 130 Ų | 130 | 109.6 Ų | 109.6 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.3 | -28.6 | 177.1 | -70.2 | 169.1 | -171.3 | 0 | 0 | 112.6 | K214 Q215 G220 | K214-E218 WeakPolarHBondContact CE-OE1 3.36Å; K214-E218 WeakPolarHBondContact CG-OE1 3.46Å; K214-E218 WeakPolarHBondContact O-CG 3.44Å; K214-E218 PolarHBondContact O-N 2.87Å; Q215-E218 PolarHBondContact O-N 3.32Å; E218-G220 VanDerWaalsContact C-N 3.29Å; E218-G220 PolarHBondContact O-N 3.01Å |
| 219 | R | 90.9 | Very high | 88.2 | Confident | 151 Ų | 151 | 105.2 Ų | 105.2 | 57% | 0.57 | 55% | 0.547 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | 4.7 | 173.6 | -68.2 | 175.8 | -165.8 | 129.1 | 6.3 | 114.1 | Q215 N216 L217 | Q215-R219 WeakPolarHBondContact O-CB 3.29Å; Q215-R219 VanDerWaalsContact O-CG 3.26Å; Q215-R219 WeakPolarHBondContact O-CG 3.24Å; Q215-R219 PolarHBondContact O-N 3.38Å; N216-R219 PolarHBondContact O-N 2.92Å; N216-R219 PolarHBondContact OD1-NH1 2.96Å; L217-R219 VanDerWaalsContact C-N 3.26Å; L217-R219 PolarHBondContact O-N 3.3Å |
| 220 | G | 88.5 | Confident | 87.7 | Confident | 54 Ų | 54 | 100.3 Ų | 100.3 | 56% | 0.557 | 54% | 0.538 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82.2 | 37.1 | 180 | 0 | 0 | 0 | 0 | 0 | 113.9 | N216 L217 E218 A222 | N216-G220 PolarHBondContact O-N 3.19Å; L217-G220 PolarHBondContact O-N 3.26Å; E218-G220 VanDerWaalsContact C-N 3.29Å; E218-G220 PolarHBondContact O-N 3.01Å; G220-A222 PolarHBondContact O-N 3.21Å; G220-A222 VanDerWaalsContact O-N 3.13Å |
| 221 | T | 84.4 | Confident | 87.2 | Confident | 106 Ų | 106 | 103.7 Ų | 103.7 | 65% | 0.65 | 55% | 0.552 | S | S | * | * | S | Bend | trans | 62.9 | 10.9 | 178.1 | 60.1 | 0 | 0 | 0 | 0 | 116.1 | N216 L217 I223 | N216-T221 VanDerWaalsContact O-CA 3.27Å; N216-T221 WeakPolarHBondContact O-CA 3.41Å; N216-T221 PolarHBondContact O-N 3.22Å; L217-T221 HydrophobicContact CD2-CG2 3.92Å; T221-I223 PolarHBondContact O-N 3.32Å |
| 222 | A | 70.1 | Confident | 86.7 | Confident | 59 Ų | 59 | 108.7 Ų | 108.7 | 49% | 0.488 | 57% | 0.568 | S | S | . | * | trans | -71.8 | 120.2 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G220 | G220-A222 PolarHBondContact O-N 3.21Å; G220-A222 VanDerWaalsContact O-N 3.13Å | ||
| 223 | I | 63.4 | Low | 86.1 | Confident | 214 Ų | 214 | 105.7 Ų | 105.7 | 100% | 1.097 | 56% | 0.56 | S | S | * | * | trans | -77.7 | 0 | 167.2 | -63.4 | 174 | 0 | 0 | 0 | 108.4 | T221 | T221-I223 PolarHBondContact O-N 3.32Š|
Retrieved 223 of 223 residues in 188 ms
(Link to these results)