| 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 | 41 | Very low | 60.3 | Low | 235 Ų | 235 | 138.6 Ų | 138.6 | 100% | 1.158 | 74% | 0.74 | S | S | * | * | 0 | 96.4 | 0 | -76.2 | 131.4 | 76.3 | 0 | 0 | 107.3 | G3 | M1-G3 PolarHBondContact O-N 3.44Š| |||
| 2 | N | 46.2 | Very low | 63.2 | Low | 176 Ų | 176 | 140.8 Ų | 140.8 | 94% | 0.941 | 74% | 0.737 | S | S | * | * | trans | -78.2 | 82.8 | 174.3 | -77.8 | 3.3 | 0 | 0 | 0 | 107.5 | Q4 | N2-Q4 PolarHBondContact O-N 3.35Š| ||
| 3 | G | 52 | Low | 65.7 | Low | 66 Ų | 66 | 136.8 Ų | 136.8 | 68% | 0.68 | 71% | 0.713 | S | S | * | * | trans | -67.3 | 98.7 | 169.5 | 0 | 0 | 0 | 0 | 0 | 108.5 | M1 A5 | M1-G3 PolarHBondContact O-N 3.44Å; G3-A5 PolarHBondContact O-N 3.07Å | ||
| 4 | Q | 43.6 | Very low | 67.9 | Low | 160 Ų | 160 | 135.6 Ų | 135.6 | 75% | 0.748 | 70% | 0.699 | S | S | * | * | 50.2 | 62.6 | 126.7 | -140.6 | 148.2 | -13.2 | 0 | 0 | 114.7 | N2 D6 | N2-Q4 PolarHBondContact O-N 3.35Å; Q4-D6 HydrophobicContact CG-CB 3.98Å; Q4-D6 PolarHBondContact O-N 3.09Å | |||
| 5 | A | 47.6 | Very low | 69.8 | Low | 96 Ų | 96 | 136.3 Ų | 136.3 | 79% | 0.793 | 69% | 0.691 | S | S | * | * | trans | -72.9 | 45.1 | 149.7 | 0 | 0 | 0 | 0 | 0 | 109.7 | G3 M7 | G3-A5 PolarHBondContact O-N 3.07Å; A5-M7 PolarHBondContact O-N 2.99Å | ||
| 6 | D | 51.4 | Low | 71.6 | Confident | 130 Ų | 130 | 135.6 Ų | 135.6 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | trans | -64.1 | 90.4 | 153.6 | -110.1 | -27.9 | 0 | 0 | 0 | 103.1 | Q4 E8 | Q4-D6 HydrophobicContact CG-CB 3.98Å; Q4-D6 PolarHBondContact O-N 3.09Å; D6-E8 PolarHBondContact O-N 2.96Å | ||
| 7 | M | 55 | Low | 73.1 | Confident | 160 Ų | 160 | 130.8 Ų | 130.8 | 79% | 0.788 | 66% | 0.658 | S | S | * | * | trans | -35.2 | 111.8 | 174.1 | -60 | 177.5 | 67.7 | 0 | 0 | 106.5 | A5 V9 | A5-M7 PolarHBondContact O-N 2.99Å; M7-V9 WeakPolarHBondContact O-CA 3.44Å; M7-V9 VanDerWaalsContact O-CG2 3.26Å; M7-V9 WeakPolarHBondContact O-CG2 3.48Å; M7-V9 PolarHBondContact O-N 3.21Å | ||
| 8 | E | 63.4 | Low | 74.5 | Confident | 194 Ų | 194 | 129.9 Ų | 129.9 | 91% | 0.907 | 66% | 0.655 | S | S | * | * | trans | -52.8 | 99.4 | 176.5 | -175.5 | 166.9 | -169.3 | 0 | 0 | 106.3 | D6 D10 | D6-E8 PolarHBondContact O-N 2.96Å; E8-D10 PolarHBondContact O-N 3.43Å | ||
| 9 | V | 79.3 | Confident | 75.8 | Confident | 38 Ų | 38 | 128.6 Ų | 128.6 | 23% | 0.23 | 65% | 0.645 | C | S | . | * | trans | -71.7 | 113.4 | -168.4 | 161.3 | 0 | 0 | 0 | 0 | 103.7 | M7 Y11 K14 | M7-V9 WeakPolarHBondContact O-CA 3.44Å; M7-V9 VanDerWaalsContact O-CG2 3.26Å; M7-V9 WeakPolarHBondContact O-CG2 3.48Å; M7-V9 PolarHBondContact O-N 3.21Å; V9-Y11 HydrophobicContact CB-CD1 4.5Å; V9-Y11 HydrophobicContact CB-CD2 4.05Å; V9-Y11 HydrophobicContact CB-CE1 4.12Å; V9-Y11 HydrophobicContact CB-CE2 3.62Å; V9-Y11 HydrophobicContact CB-CG 4.46Å; V9-Y11 HydrophobicContact CG1-CD1 3.56Å; V9-Y11 HydrophobicContact CG1-CD2 3.83Å; V9-Y11 HydrophobicContact CG1-CE1 3.48Å; V9-Y11 VanDerWaalsContact CG1-CE1 3.48Å; V9-Y11 HydrophobicContact CG1-CE2 3.74Å; V9-Y11 HydrophobicContact CG1-CG 3.74Å; V9-Y11 WeakPolarHBondContact O-CD2 3.13Å; V9-Y11 WeakPolarHBondContact O-CE2 3.44Å; V9-Y11 PolarHBondContact O-N 3.09Å; V9-K14 HydrophobicContact CG1-CD 3.41Å; V9-K14 VanDerWaalsContact CG1-CD 3.41Å; V9-K14 HydrophobicContact CG1-CG 4.3Å; V9-K14 VanDerWaalsContact CG2-NZ 3.28Å | ||
| 10 | D | 88.7 | Confident | 76.9 | Confident | 95 Ų | 95 | 128.8 Ų | 128.8 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | trans | -69.1 | 84.6 | 170.2 | -175.4 | -5.3 | 0 | 0 | 0 | 108.5 | E8 K12 Q13 K14 | E8-D10 PolarHBondContact O-N 3.43Å; D10-K12 PolarHBondContact O-N 3.35Å; D10-K12 VanDerWaalsContact OD1-CB 3.27Å; D10-K12 WeakPolarHBondContact OD1-CB 3.32Å; D10-K12 PolarHBondContact OD1-N 3.04Å; D10-K12 VanDerWaalsContact OD1-N 3.09Å; D10-Q13 HydrophobicContact CB-CB 3.97Å; D10-Q13 VanDerWaalsContact CG-CB 3.4Å; D10-Q13 PolarHBondContact O-N 3.45Å; D10-Q13 VanDerWaalsContact O-N 3.16Å; D10-Q13 PolarHBondContact OD1-N 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CB 3.27Å; D10-K14 PolarHBondContact O-N 3.39Å | ||
| 11 | Y | 95.4 | Very high | 78 | Confident | 175 Ų | 175 | 129.2 Ų | 129.2 | 69% | 0.686 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -61.7 | -29.3 | 179.9 | -71.9 | -76.3 | 0 | 0 | 0 | 110.9 | V9 K14 Y15 | V9-Y11 HydrophobicContact CB-CD1 4.5Å; V9-Y11 HydrophobicContact CB-CD2 4.05Å; V9-Y11 HydrophobicContact CB-CE1 4.12Å; V9-Y11 HydrophobicContact CB-CE2 3.62Å; V9-Y11 HydrophobicContact CB-CG 4.46Å; V9-Y11 HydrophobicContact CG1-CD1 3.56Å; V9-Y11 HydrophobicContact CG1-CD2 3.83Å; V9-Y11 HydrophobicContact CG1-CE1 3.48Å; V9-Y11 VanDerWaalsContact CG1-CE1 3.48Å; V9-Y11 HydrophobicContact CG1-CE2 3.74Å; V9-Y11 HydrophobicContact CG1-CG 3.74Å; V9-Y11 WeakPolarHBondContact O-CD2 3.13Å; V9-Y11 WeakPolarHBondContact O-CE2 3.44Å; V9-Y11 PolarHBondContact O-N 3.09Å; Y11-K14 PolarHBondContact O-N 3.21Å; Y11-Y15 VanDerWaalsContact O-CB 3.28Å; Y11-Y15 WeakPolarHBondContact O-CB 3.5Å; Y11-Y15 PolarHBondContact O-N 3.37Å |
| 12 | K | 94.6 | Very high | 80.7 | Confident | 164 Ų | 164 | 123 Ų | 123 | 71% | 0.713 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -66.8 | -44.1 | 176.3 | -165.3 | 176 | -176.8 | 177 | 0 | 110.2 | D10 K16 | D10-K12 PolarHBondContact O-N 3.35Å; D10-K12 VanDerWaalsContact OD1-CB 3.27Å; D10-K12 WeakPolarHBondContact OD1-CB 3.32Å; D10-K12 PolarHBondContact OD1-N 3.04Å; D10-K12 VanDerWaalsContact OD1-N 3.09Å; K12-K16 WeakPolarHBondContact O-CG 3.47Å; K12-K16 PolarHBondContact O-N 3.04Å |
| 13 | Q | 96 | Very high | 83.2 | Confident | 89 Ų | 89 | 121.6 Ų | 121.6 | 42% | 0.416 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -69.9 | -40.9 | 175.2 | -179.5 | 66.7 | -18 | 0 | 0 | 112.8 | D10 Y15 K16 N17 | D10-Q13 HydrophobicContact CB-CB 3.97Å; D10-Q13 VanDerWaalsContact CG-CB 3.4Å; D10-Q13 PolarHBondContact O-N 3.45Å; D10-Q13 VanDerWaalsContact O-N 3.16Å; D10-Q13 PolarHBondContact OD1-N 2.98Å; D10-Q13 WeakPolarHBondContact OD2-CB 3.27Å; Q13-Y15 VanDerWaalsContact C-N 3.3Å; Q13-Y15 PolarHBondContact O-N 3.35Å; Q13-K16 PolarHBondContact O-N 2.83Å; Q13-N17 WeakPolarHBondContact O-CB 3.28Å; Q13-N17 PolarHBondContact O-N 3.24Å; Q13-N17 PolarHBondContact O-ND2 3.05Å |
| 14 | K | 96.4 | Very high | 85.4 | Confident | 121 Ų | 121 | 124.5 Ų | 124.5 | 53% | 0.526 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -58.6 | -43.4 | 173.7 | -74.6 | -170.7 | -179.6 | 171.1 | 0 | 111.4 | V9 D10 Y11 N17 L18 | V9-K14 HydrophobicContact CG1-CD 3.41Å; V9-K14 VanDerWaalsContact CG1-CD 3.41Å; V9-K14 HydrophobicContact CG1-CG 4.3Å; V9-K14 VanDerWaalsContact CG2-NZ 3.28Å; D10-K14 PolarHBondContact O-N 3.39Å; Y11-K14 PolarHBondContact O-N 3.21Å; K14-N17 PolarHBondContact O-N 3.41Å; K14-L18 WeakPolarHBondContact O-CB 2.96Å; K14-L18 PolarHBondContact O-N 3.5Å |
| 15 | Y | 97.2 | Very high | 88 | Confident | 146 Ų | 146 | 121.9 Ų | 121.9 | 57% | 0.573 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.8 | -47.9 | 175.6 | 173.6 | -98.6 | 0 | 0 | 0 | 112.2 | Y11 Q13 N17 L18 K19 | Y11-Y15 VanDerWaalsContact O-CB 3.28Å; Y11-Y15 WeakPolarHBondContact O-CB 3.5Å; Y11-Y15 PolarHBondContact O-N 3.37Å; Q13-Y15 VanDerWaalsContact C-N 3.3Å; Q13-Y15 PolarHBondContact O-N 3.35Å; Y15-N17 VanDerWaalsContact C-N 3.29Å; Y15-N17 PolarHBondContact O-N 2.9Å; Y15-L18 PolarHBondContact O-N 2.96Å; Y15-K19 HydrophobicContact CE1-CD 4.16Å; Y15-K19 WeakPolarHBondContact O-CB 3.42Å; Y15-K19 PolarHBondContact O-N 3.29Å |
| 16 | K | 98 | Very high | 90.4 | Very high | 124 Ų | 124 | 120.6 Ų | 120.6 | 54% | 0.539 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -56.9 | -43.7 | 176.5 | -79.8 | 179 | 133.4 | -178.6 | 0 | 112 | K12 Q13 R20 | K12-K16 WeakPolarHBondContact O-CG 3.47Å; K12-K16 PolarHBondContact O-N 3.04Å; Q13-K16 PolarHBondContact O-N 2.83Å; K16-R20 PolarHBondContact O-N 3.18Å |
| 17 | N | 97.7 | Very high | 92.7 | Very high | 54 Ų | 54 | 121.6 Ų | 121.6 | 29% | 0.289 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.4 | -44.8 | 177.3 | -77 | -41.2 | 0 | 0 | 0 | 112.2 | Q13 K14 Y15 K19 R20 K21 | Q13-N17 WeakPolarHBondContact O-CB 3.28Å; Q13-N17 PolarHBondContact O-N 3.24Å; Q13-N17 PolarHBondContact O-ND2 3.05Å; K14-N17 PolarHBondContact O-N 3.41Å; Y15-N17 VanDerWaalsContact C-N 3.29Å; Y15-N17 PolarHBondContact O-N 2.9Å; N17-K19 PolarHBondContact O-N 2.89Å; N17-R20 PolarHBondContact O-N 3.16Å; N17-R20 PolarHBondContact OD1-NH1 2.71Å; N17-K21 WeakPolarHBondContact O-CG 3.33Å; N17-K21 PolarHBondContact O-N 2.82Å |
| 18 | L | 98.5 | Very high | 94.7 | Very high | 116 Ų | 116 | 118.2 Ų | 118.2 | 61% | 0.607 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -62.3 | -43.3 | 177.3 | -174.3 | 61.8 | 0 | 0 | 0 | 111.4 | K14 Y15 R20 K21 L22 | K14-L18 WeakPolarHBondContact O-CB 2.96Å; K14-L18 PolarHBondContact O-N 3.5Å; Y15-L18 PolarHBondContact O-N 2.96Å; L18-R20 VanDerWaalsContact C-N 3.3Å; L18-R20 PolarHBondContact O-N 3.29Å; L18-K21 PolarHBondContact O-N 3Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.92Å |
| 19 | K | 98.3 | Very high | 96.4 | Very high | 105 Ų | 105 | 112.8 Ų | 112.8 | 46% | 0.457 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -41.8 | 174.5 | -178.4 | 174.6 | -179.2 | 172.9 | 0 | 111.7 | Y15 N17 K23 | Y15-K19 HydrophobicContact CE1-CD 4.16Å; Y15-K19 WeakPolarHBondContact O-CB 3.42Å; Y15-K19 PolarHBondContact O-N 3.29Å; N17-K19 PolarHBondContact O-N 2.89Å; K19-K23 WeakPolarHBondContact O-CG 3.43Å; K19-K23 PolarHBondContact O-N 3.44Å |
| 20 | R | 98.6 | Very high | 97.3 | Very high | 131 Ų | 131 | 116.4 Ų | 116.4 | 49% | 0.494 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -47.7 | 176.2 | -163.1 | -170.9 | -63.1 | 109.2 | -1 | 111.3 | K16 N17 L18 L22 K23 F24 | K16-R20 PolarHBondContact O-N 3.18Å; N17-R20 PolarHBondContact O-N 3.16Å; N17-R20 PolarHBondContact OD1-NH1 2.71Å; L18-R20 VanDerWaalsContact C-N 3.3Å; L18-R20 PolarHBondContact O-N 3.29Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3.3Å; R20-K23 WeakPolarHBondContact O-CB 3.46Å; R20-K23 PolarHBondContact O-N 3.27Å; R20-F24 HydrophobicContact CG-CD2 4.23Å; R20-F24 HydrophobicContact CG-CE2 3.73Å; R20-F24 WeakPolarHBondContact O-CD2 3.38Å; R20-F24 PolarHBondContact O-N 2.95Å |
| 21 | K | 98.3 | Very high | 97.8 | Very high | 139 Ų | 139 | 114.1 Ų | 114.1 | 60% | 0.604 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.6 | -42.1 | 177.3 | -72.2 | -178.4 | 178.9 | -173.5 | 0 | 112.1 | N17 L18 K23 F24 L25 | N17-K21 WeakPolarHBondContact O-CG 3.33Å; N17-K21 PolarHBondContact O-N 2.82Å; L18-K21 PolarHBondContact O-N 3Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.25Å; K21-F24 PolarHBondContact O-N 3.18Å; K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 2.65Å |
| 22 | L | 98.6 | Very high | 97.9 | Very high | 103 Ų | 103 | 111 Ų | 111 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.7 | -43.4 | 177.6 | -179.1 | 61.5 | 0 | 0 | 0 | 111.5 | L18 R20 F24 L25 V26 | L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.92Å; R20-L22 VanDerWaalsContact C-N 3.34Å; R20-L22 PolarHBondContact O-N 3.3Å; L22-F24 VanDerWaalsContact C-N 3.29Å; L22-F24 PolarHBondContact O-N 3.48Å; L22-L25 PolarHBondContact O-N 3.17Å; L22-V26 HydrophobicContact CD1-CG2 4.24Å; L22-V26 HydrophobicContact CG-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.16Å; L22-V26 PolarHBondContact O-N 3.17Å |
| 23 | K | 98.4 | Very high | 98.1 | Very high | 147 Ų | 147 | 107 Ų | 107 | 64% | 0.639 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.6 | -42.8 | 175.2 | -74.7 | -177.1 | 174.7 | -166.8 | 0 | 112.2 | K19 R20 K21 Y27 | K19-K23 WeakPolarHBondContact O-CG 3.43Å; K19-K23 PolarHBondContact O-N 3.44Å; R20-K23 WeakPolarHBondContact O-CB 3.46Å; R20-K23 PolarHBondContact O-N 3.27Å; K21-K23 VanDerWaalsContact C-N 3.34Å; K21-K23 PolarHBondContact O-N 3.25Å; K23-Y27 PolarHBondContact O-N 3.38Å; K23-Y27 VanDerWaalsContact O-N 3.17Å |
| 24 | F | 98.3 | Very high | 98.2 | Very high | 128 Ų | 128 | 106.5 Ų | 106.5 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.3 | -46.1 | 176.4 | -73 | -63.7 | 0 | 0 | 0 | 112 | R20 K21 L22 V26 Y27 E28 | R20-F24 HydrophobicContact CG-CD2 4.23Å; R20-F24 HydrophobicContact CG-CE2 3.73Å; R20-F24 WeakPolarHBondContact O-CD2 3.38Å; R20-F24 PolarHBondContact O-N 2.95Å; K21-F24 PolarHBondContact O-N 3.18Å; L22-F24 VanDerWaalsContact C-N 3.29Å; L22-F24 PolarHBondContact O-N 3.48Å; F24-V26 VanDerWaalsContact C-N 3.32Å; F24-V26 PolarHBondContact O-N 3.24Å; F24-Y27 PolarHBondContact O-N 2.8Å; F24-E28 WeakPolarHBondContact O-CG 3.43Å; F24-E28 PolarHBondContact O-N 2.91Å |
| 25 | L | 98.7 | Very high | 98.3 | Very high | 105 Ų | 105 | 104.8 Ų | 104.8 | 55% | 0.55 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 179.5 | -74.6 | 172.7 | 0 | 0 | 0 | 112.6 | K21 L22 Q29 | K21-L25 WeakPolarHBondContact O-CG 3.49Å; K21-L25 PolarHBondContact O-N 2.65Å; L22-L25 PolarHBondContact O-N 3.17Å; L25-Q29 WeakPolarHBondContact O-CB 3.26Å; L25-Q29 PolarHBondContact O-N 3.49Å |
| 26 | V | 98.6 | Very high | 98.4 | Very high | 68 Ų | 68 | 102.5 Ų | 102.5 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62 | -48 | 175.6 | 171.8 | 0 | 0 | 0 | 0 | 110.2 | L22 F24 E28 Q29 E30 | L22-V26 HydrophobicContact CD1-CG2 4.24Å; L22-V26 HydrophobicContact CG-CG2 4.48Å; L22-V26 WeakPolarHBondContact O-CG2 3.16Å; L22-V26 PolarHBondContact O-N 3.17Å; F24-V26 VanDerWaalsContact C-N 3.32Å; F24-V26 PolarHBondContact O-N 3.24Å; V26-E28 PolarHBondContact O-N 3.45Å; V26-Q29 PolarHBondContact O-N 2.88Å; V26-E30 WeakPolarHBondContact O-CG 3.12Å; V26-E30 PolarHBondContact O-N 2.79Å |
| 27 | Y | 98.7 | Very high | 98.5 | Very high | 151 Ų | 151 | 101.5 Ų | 101.5 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -61.1 | -46.9 | 178.6 | 172.5 | -98.7 | 0 | 0 | 0 | 112.8 | K23 F24 Q29 E30 C31 | K23-Y27 PolarHBondContact O-N 3.38Å; K23-Y27 VanDerWaalsContact O-N 3.17Å; F24-Y27 PolarHBondContact O-N 2.8Å; Y27-Q29 VanDerWaalsContact C-N 3.32Å; Y27-Q29 PolarHBondContact O-N 2.92Å; Y27-E30 PolarHBondContact O-N 2.99Å; Y27-C31 VanDerWaalsContact CZ-SG 3.58Å; Y27-C31 PolarHBondContact O-N 3.39Å; Y27-C31 PolarHBondContact O-SG 3.25Å |
| 28 | E | 98 | Very high | 98.5 | Very high | 90 Ų | 90 | 105.8 Ų | 105.8 | 42% | 0.421 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 178.1 | -73.3 | -174.1 | 137.7 | 0 | 0 | 111.3 | F24 V26 E30 C31 F32 | F24-E28 WeakPolarHBondContact O-CG 3.43Å; F24-E28 PolarHBondContact O-N 2.91Å; V26-E28 PolarHBondContact O-N 3.45Å; E28-E30 PolarHBondContact O-N 3.19Å; E28-C31 WeakPolarHBondContact O-CB 3.39Å; E28-C31 PolarHBondContact O-N 2.76Å; E28-F32 HydrophobicContact CB-CD2 4.41Å; E28-F32 HydrophobicContact CB-CE2 4.1Å; E28-F32 WeakPolarHBondContact O-CD2 3.4Å; E28-F32 WeakPolarHBondContact O-CG 3.36Å; E28-F32 PolarHBondContact O-N 2.79Å |
| 29 | Q | 98.5 | Very high | 98.5 | Very high | 80 Ų | 80 | 102.9 Ų | 102.9 | 37% | 0.374 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 177.6 | 178.6 | -87.9 | -5 | 0 | 0 | 111.7 | L25 V26 Y27 C31 F32 Q33 | L25-Q29 WeakPolarHBondContact O-CB 3.26Å; L25-Q29 PolarHBondContact O-N 3.49Å; V26-Q29 PolarHBondContact O-N 2.88Å; Y27-Q29 VanDerWaalsContact C-N 3.32Å; Y27-Q29 PolarHBondContact O-N 2.92Å; Q29-C31 VanDerWaalsContact C-N 3.33Å; Q29-C31 PolarHBondContact O-N 3.22Å; Q29-F32 PolarHBondContact O-N 2.89Å; Q29-Q33 WeakPolarHBondContact O-CG 3.5Å; Q29-Q33 PolarHBondContact O-N 2.91Å |
| 30 | E | 98.2 | Very high | 98.5 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 53% | 0.533 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.1 | -72.5 | 179.6 | 167.2 | 0 | 0 | 111.4 | V26 Y27 E28 Q33 E34 | V26-E30 WeakPolarHBondContact O-CG 3.12Å; V26-E30 PolarHBondContact O-N 2.79Å; Y27-E30 PolarHBondContact O-N 2.99Å; E28-E30 PolarHBondContact O-N 3.19Å; E30-Q33 PolarHBondContact O-N 3.05Å; E30-E34 PolarHBondContact O-N 2.98Å |
| 31 | C | 98.4 | Very high | 98.5 | Very high | 46 Ų | 46 | 101.9 Ų | 101.9 | 31% | 0.311 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.4 | -48.9 | 176 | -69.3 | 0 | 0 | 0 | 0 | 111.7 | Y27 E28 Q29 Q33 E34 E35 | Y27-C31 VanDerWaalsContact CZ-SG 3.58Å; Y27-C31 PolarHBondContact O-N 3.39Å; Y27-C31 PolarHBondContact O-SG 3.25Å; E28-C31 WeakPolarHBondContact O-CB 3.39Å; E28-C31 PolarHBondContact O-N 2.76Å; Q29-C31 VanDerWaalsContact C-N 3.33Å; Q29-C31 PolarHBondContact O-N 3.22Å; C31-Q33 VanDerWaalsContact C-N 3.32Å; C31-Q33 PolarHBondContact O-N 2.78Å; C31-E34 PolarHBondContact O-N 3.04Å; C31-E35 PolarHBondContact O-N 3.46Å |
| 32 | F | 98.6 | Very high | 98.6 | Very high | 109 Ų | 109 | 101.4 Ų | 101.4 | 48% | 0.478 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.2 | -40 | 178.4 | -71.3 | -54.6 | 0 | 0 | 0 | 112.1 | E28 Q29 E35 L36 W189 | E28-F32 HydrophobicContact CB-CD2 4.41Å; E28-F32 HydrophobicContact CB-CE2 4.1Å; E28-F32 WeakPolarHBondContact O-CD2 3.4Å; E28-F32 WeakPolarHBondContact O-CG 3.36Å; E28-F32 PolarHBondContact O-N 2.79Å; Q29-F32 PolarHBondContact O-N 2.89Å; F32-E35 PolarHBondContact O-N 3Å; F32-L36 WeakPolarHBondContact O-CB 3.45Å; F32-L36 PolarHBondContact O-N 2.85Å; F32-W189 AromaticContact CD1-CZ3 3.89Å; F32-W189 HydrophobicContact CD1-CZ3 3.89Å; F32-W189 AromaticContact CE1-CE3 3.75Å; F32-W189 HydrophobicContact CE1-CE3 3.75Å; F32-W189 AromaticContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CZ-CE3 4.46Å; F32-W189 HydrophobicContact CZ-CZ3 4.25Å |
| 33 | Q | 98.6 | Very high | 98.6 | Very high | 82 Ų | 82 | 102.2 Ų | 102.2 | 38% | 0.383 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -41.3 | 177.1 | -75.2 | -167.9 | -14.5 | 0 | 0 | 112.4 | Q29 E30 C31 R37 | Q29-Q33 WeakPolarHBondContact O-CG 3.5Å; Q29-Q33 PolarHBondContact O-N 2.91Å; E30-Q33 PolarHBondContact O-N 3.05Å; C31-Q33 VanDerWaalsContact C-N 3.32Å; C31-Q33 PolarHBondContact O-N 2.78Å; Q33-R37 PolarHBondContact O-N 2.61Å; Q33-R37 VanDerWaalsContact O-N 3.12Å |
| 34 | E | 98.5 | Very high | 98.6 | Very high | 77 Ų | 77 | 99.9 Ų | 99.9 | 36% | 0.36 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 175.9 | -176.8 | 55.9 | -126.3 | 0 | 0 | 111.4 | E30 C31 R37 R38 R41 | E30-E34 PolarHBondContact O-N 2.98Å; C31-E34 PolarHBondContact O-N 3.04Å; E34-R37 PolarHBondContact O-N 3.48Å; E34-R37 IonicContact OE1-CZ 3.97Å; E34-R37 IonicContact OE1-NH1 2.82Å; E34-R37 PolarHBondContact OE1-NH1 3.36Å; E34-R37 IonicContact OE2-CZ 2.91Å; E34-R37 IonicContact OE2-NH1 3.32Å; E34-R37 PolarHBondContact OE2-NH1 2.99Å; E34-R37 IonicContact OE2-NH2 2.61Å; E34-R37 PolarHBondContact OE2-NH2 3.33Å; E34-R38 WeakPolarHBondContact O-CB 2.97Å; E34-R38 PolarHBondContact O-N 3.2Å; E34-R41 IonicContact OE1-NH2 3.21Å; E34-R41 PolarHBondContact OE1-NH2 2.99Å |
| 35 | E | 98.6 | Very high | 98.6 | Very high | 85 Ų | 85 | 100.3 Ų | 100.3 | 40% | 0.397 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.8 | -41.6 | -179.5 | -172.2 | 164 | -153.1 | 0 | 0 | 112.5 | C31 F32 R37 R38 S39 W189 | C31-E35 PolarHBondContact O-N 3.46Å; F32-E35 PolarHBondContact O-N 3Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 3.32Å; E35-R38 WeakPolarHBondContact O-CB 3.04Å; E35-R38 PolarHBondContact O-N 2.93Å; E35-R38 VanDerWaalsContact O-N 3.12Å; E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.5Å; E35-S39 PolarHBondContact O-OG 3.23Å; E35-W189 WeakPolarHBondContact OE2-CH2 3.35Å |
| 36 | L | 98.7 | Very high | 98.6 | Very high | 98 Ų | 98 | 99.8 Ų | 99.8 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -56.2 | -48.1 | 173.5 | 178.5 | 61.7 | 0 | 0 | 0 | 110.7 | F32 R38 S39 Q40 | F32-L36 WeakPolarHBondContact O-CB 3.45Å; F32-L36 PolarHBondContact O-N 2.85Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 3.17Å; L36-S39 PolarHBondContact O-N 3.38Å; L36-Q40 HydrophobicContact CD1-CG 4.35Å; L36-Q40 WeakPolarHBondContact O-CG 3.34Å; L36-Q40 PolarHBondContact O-N 3.46Å |
| 37 | R | 98.7 | Very high | 98.6 | Very high | 104 Ų | 104 | 99.5 Ų | 99.5 | 39% | 0.392 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 178.1 | -143.2 | -176.8 | -37.8 | 94.5 | -6.2 | 111.5 | Q33 E34 E35 R41 | Q33-R37 PolarHBondContact O-N 2.61Å; Q33-R37 VanDerWaalsContact O-N 3.12Å; E34-R37 PolarHBondContact O-N 3.48Å; E34-R37 IonicContact OE1-CZ 3.97Å; E34-R37 IonicContact OE1-NH1 2.82Å; E34-R37 PolarHBondContact OE1-NH1 3.36Å; E34-R37 IonicContact OE2-CZ 2.91Å; E34-R37 IonicContact OE2-NH1 3.32Å; E34-R37 PolarHBondContact OE2-NH1 2.99Å; E34-R37 IonicContact OE2-NH2 2.61Å; E34-R37 PolarHBondContact OE2-NH2 3.33Å; E35-R37 VanDerWaalsContact C-N 3.31Å; E35-R37 PolarHBondContact O-N 3.32Å; R37-R41 WeakPolarHBondContact O-CG 3.36Å; R37-R41 PolarHBondContact O-N 3.23Å; R37-R41 VanDerWaalsContact O-N 3.11Å |
| 38 | R | 98.7 | Very high | 98.6 | Very high | 143 Ų | 143 | 100.5 Ų | 100.5 | 54% | 0.54 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.1 | -44 | 176.6 | -164.6 | -178.2 | -157 | 117.3 | -0.2 | 111.7 | E34 E35 L36 R41 K42 | E34-R38 WeakPolarHBondContact O-CB 2.97Å; E34-R38 PolarHBondContact O-N 3.2Å; E35-R38 WeakPolarHBondContact O-CB 3.04Å; E35-R38 PolarHBondContact O-N 2.93Å; E35-R38 VanDerWaalsContact O-N 3.12Å; L36-R38 VanDerWaalsContact C-N 3.29Å; L36-R38 PolarHBondContact O-N 3.17Å; R38-R41 PolarHBondContact O-N 3.38Å; R38-K42 WeakPolarHBondContact O-CG 3.48Å; R38-K42 PolarHBondContact O-N 3.32Å; R38-K42 VanDerWaalsContact O-N 3.11Å |
| 39 | S | 98.8 | Very high | 98.6 | Very high | 56 Ų | 56 | 100.4 Ų | 100.4 | 39% | 0.392 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.7 | -41.8 | 179.3 | -68.9 | 0 | 0 | 0 | 0 | 112 | E35 L36 R41 K42 L43 | E35-S39 WeakPolarHBondContact O-CB 3.43Å; E35-S39 PolarHBondContact O-N 3.5Å; E35-S39 PolarHBondContact O-OG 3.23Å; L36-S39 PolarHBondContact O-N 3.38Å; S39-R41 PolarHBondContact O-N 2.82Å; S39-K42 WeakPolarHBondContact O-CB 3.5Å; S39-K42 PolarHBondContact O-N 2.82Å; S39-L43 WeakPolarHBondContact O-CB 3.34Å; S39-L43 PolarHBondContact O-N 3.12Å |
| 40 | Q | 98.7 | Very high | 98.6 | Very high | 95 Ų | 95 | 103.3 Ų | 103.3 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 173.5 | -72.4 | 171.6 | -17.4 | 0 | 0 | 112.1 | L36 K42 L43 L44 | L36-Q40 HydrophobicContact CD1-CG 4.35Å; L36-Q40 WeakPolarHBondContact O-CG 3.34Å; L36-Q40 PolarHBondContact O-N 3.46Å; Q40-K42 PolarHBondContact O-N 2.87Å; Q40-L43 PolarHBondContact O-N 3Å; Q40-L44 WeakPolarHBondContact O-CG 3.44Å; Q40-L44 PolarHBondContact O-N 3.02Å |
| 41 | R | 98.8 | Very high | 98.6 | Very high | 120 Ų | 120 | 100.7 Ų | 100.7 | 45% | 0.453 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174.1 | -72.9 | -174.7 | -63.2 | -101.4 | 7.3 | 112.2 | E34 R37 R38 S39 K45 | E34-R41 IonicContact OE1-NH2 3.21Å; E34-R41 PolarHBondContact OE1-NH2 2.99Å; R37-R41 WeakPolarHBondContact O-CG 3.36Å; R37-R41 PolarHBondContact O-N 3.23Å; R37-R41 VanDerWaalsContact O-N 3.11Å; R38-R41 PolarHBondContact O-N 3.38Å; S39-R41 PolarHBondContact O-N 2.82Å; R41-K45 PolarHBondContact O-N 3.32Å; R41-K45 VanDerWaalsContact O-N 3.14Å |
| 42 | K | 98.8 | Very high | 98.6 | Very high | 128 Ų | 128 | 105.5 Ų | 105.5 | 56% | 0.557 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 176.4 | -71.3 | 175.1 | -179.7 | 177.5 | 0 | 111.4 | R38 S39 Q40 L44 K45 V46 | R38-K42 WeakPolarHBondContact O-CG 3.48Å; R38-K42 PolarHBondContact O-N 3.32Å; R38-K42 VanDerWaalsContact O-N 3.11Å; S39-K42 WeakPolarHBondContact O-CB 3.5Å; S39-K42 PolarHBondContact O-N 2.82Å; Q40-K42 PolarHBondContact O-N 2.87Å; K42-L44 PolarHBondContact O-N 3.42Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 2.94Å; K42-K45 VanDerWaalsContact O-N 3.16Å; K42-V46 WeakPolarHBondContact O-CG2 3.42Å; K42-V46 PolarHBondContact O-N 2.97Å |
| 43 | L | 98.7 | Very high | 98.6 | Very high | 121 Ų | 121 | 105 Ų | 105 | 63% | 0.634 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -58.6 | -47.4 | 178.4 | 178.8 | 63.9 | 0 | 0 | 0 | 111.4 | S39 Q40 K45 V46 S47 | S39-L43 WeakPolarHBondContact O-CB 3.34Å; S39-L43 PolarHBondContact O-N 3.12Å; Q40-L43 PolarHBondContact O-N 3Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 3.29Å; L43-V46 PolarHBondContact O-N 2.9Å; L43-S47 WeakPolarHBondContact O-CB 3.25Å; L43-S47 PolarHBondContact O-N 3.37Å |
| 44 | L | 98.8 | Very high | 98.5 | Very high | 97 Ų | 97 | 105.8 Ų | 105.8 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 176.9 | -73.7 | 172.9 | 0 | 0 | 0 | 112.3 | Q40 K42 R48 | Q40-L44 WeakPolarHBondContact O-CG 3.44Å; Q40-L44 PolarHBondContact O-N 3.02Å; K42-L44 PolarHBondContact O-N 3.42Å; L44-R48 VanDerWaalsContact O-CG 3.31Å; L44-R48 WeakPolarHBondContact O-CG 3.32Å; L44-R48 PolarHBondContact O-N 2.96Å; L44-R48 VanDerWaalsContact O-N 3.08Å |
| 45 | K | 98.7 | Very high | 98.4 | Very high | 137 Ų | 137 | 107 Ų | 107 | 60% | 0.596 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.7 | -52.8 | 176.3 | -172.2 | 178.4 | 179.5 | -178.6 | 0 | 111.3 | R41 K42 L43 S47 R48 D49 | R41-K45 PolarHBondContact O-N 3.32Å; R41-K45 VanDerWaalsContact O-N 3.14Å; K42-K45 WeakPolarHBondContact O-CB 3.48Å; K42-K45 PolarHBondContact O-N 2.94Å; K42-K45 VanDerWaalsContact O-N 3.16Å; L43-K45 VanDerWaalsContact C-N 3.29Å; L43-K45 PolarHBondContact O-N 3.29Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.42Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 3.16Å; K45-R48 VanDerWaalsContact O-N 3.11Å; K45-D49 VanDerWaalsContact O-CG 3.28Å; K45-D49 PolarHBondContact O-N 3.29Å |
| 46 | V | 98.8 | Very high | 98.3 | Very high | 94 Ų | 94 | 108.3 Ų | 108.3 | 57% | 0.57 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.7 | -38.2 | 178.8 | 174.6 | 0 | 0 | 0 | 0 | 111.4 | K42 L43 R48 D49 K50 | K42-V46 WeakPolarHBondContact O-CG2 3.42Å; K42-V46 PolarHBondContact O-N 2.97Å; L43-V46 PolarHBondContact O-N 2.9Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 2.99Å; V46-D49 PolarHBondContact O-N 3.15Å; V46-K50 VanDerWaalsContact O-CB 3.3Å; V46-K50 WeakPolarHBondContact O-CB 3.49Å; V46-K50 PolarHBondContact O-N 3.44Å |
| 47 | S | 98.6 | Very high | 98.1 | Very high | 62 Ų | 62 | 108.4 Ų | 108.4 | 43% | 0.434 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.1 | -42.2 | 176.2 | -171.1 | 0 | 0 | 0 | 0 | 112 | L43 K45 S51 | L43-S47 WeakPolarHBondContact O-CB 3.25Å; L43-S47 PolarHBondContact O-N 3.37Å; K45-S47 VanDerWaalsContact C-N 3.27Å; K45-S47 PolarHBondContact O-N 3.42Å; S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.24Å |
| 48 | R | 98.8 | Very high | 97.8 | Very high | 173 Ų | 173 | 108.1 Ų | 108.1 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -65.5 | -45.5 | 175.8 | -71.8 | 170 | -176.7 | 158.1 | 1.3 | 111.3 | L44 K45 V46 K50 S51 F52 | L44-R48 VanDerWaalsContact O-CG 3.31Å; L44-R48 WeakPolarHBondContact O-CG 3.32Å; L44-R48 PolarHBondContact O-N 2.96Å; L44-R48 VanDerWaalsContact O-N 3.08Å; K45-R48 WeakPolarHBondContact O-CB 3.46Å; K45-R48 PolarHBondContact O-N 3.16Å; K45-R48 VanDerWaalsContact O-N 3.11Å; V46-R48 VanDerWaalsContact C-N 3.35Å; V46-R48 PolarHBondContact O-N 2.99Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.26Å; R48-S51 PolarHBondContact O-N 3.2Å; R48-F52 WeakPolarHBondContact O-CB 3.49Å; R48-F52 PolarHBondContact O-N 3.3Å |
| 49 | D | 98.6 | Very high | 97.4 | Very high | 88 Ų | 88 | 106.5 Ų | 106.5 | 47% | 0.471 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.7 | -41.7 | 179.3 | -63.5 | -16.6 | 0 | 0 | 0 | 111.1 | K45 V46 F52 L53 | K45-D49 VanDerWaalsContact O-CG 3.28Å; K45-D49 PolarHBondContact O-N 3.29Å; V46-D49 PolarHBondContact O-N 3.15Å; D49-F52 PolarHBondContact O-N 3.24Å; D49-L53 WeakPolarHBondContact O-CB 3.46Å; D49-L53 PolarHBondContact O-N 3.11Å |
| 50 | K | 98.4 | Very high | 97 | Very high | 140 Ų | 140 | 110 Ų | 110 | 61% | 0.609 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.2 | -52.3 | 174.4 | 177.9 | -176.7 | 174.9 | 178.9 | 0 | 111.5 | V46 R48 F52 L53 L54 | V46-K50 VanDerWaalsContact O-CB 3.3Å; V46-K50 WeakPolarHBondContact O-CB 3.49Å; V46-K50 PolarHBondContact O-N 3.44Å; R48-K50 VanDerWaalsContact C-N 3.32Å; R48-K50 PolarHBondContact O-N 3.26Å; K50-F52 VanDerWaalsContact C-N 3.33Å; K50-F52 PolarHBondContact O-N 2.86Å; K50-L53 PolarHBondContact O-N 3.4Å; K50-L54 HydrophobicContact CG-CD1 4.26Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 3.25Å |
| 51 | S | 98 | Very high | 96.2 | Very high | 59 Ų | 59 | 112.2 Ų | 112.2 | 41% | 0.413 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.2 | -45.9 | 179.2 | -66.3 | 0 | 0 | 0 | 0 | 111.2 | S47 R48 L53 L54 D55 | S47-S51 PolarHBondContact O-N 2.89Å; S47-S51 PolarHBondContact O-OG 3.24Å; R48-S51 PolarHBondContact O-N 3.2Å; S51-L53 VanDerWaalsContact C-N 3.32Å; S51-L53 PolarHBondContact O-N 3.42Å; S51-L54 PolarHBondContact O-N 3.18Å; S51-D55 VanDerWaalsContact O-CG 3.24Å; S51-D55 PolarHBondContact O-N 3.11Å |
| 52 | F | 98.4 | Very high | 94.7 | Very high | 148 Ų | 148 | 116.2 Ų | 116.2 | 65% | 0.649 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -56.8 | -43.7 | 176.7 | 174.3 | -95.6 | 0 | 0 | 0 | 112.6 | R48 D49 K50 D55 R56 | R48-F52 WeakPolarHBondContact O-CB 3.49Å; R48-F52 PolarHBondContact O-N 3.3Å; D49-F52 PolarHBondContact O-N 3.24Å; K50-F52 VanDerWaalsContact C-N 3.33Å; K50-F52 PolarHBondContact O-N 2.86Å; F52-D55 PolarHBondContact O-N 3.38Å; F52-R56 PolarHBondContact O-N 3.12Å |
| 53 | L | 98.2 | Very high | 92.9 | Very high | 99 Ų | 99 | 114.2 Ų | 114.2 | 52% | 0.518 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -66.2 | -42.9 | 178.5 | -178.9 | 61 | 0 | 0 | 0 | 112 | D49 K50 S51 R56 L57 | D49-L53 WeakPolarHBondContact O-CB 3.46Å; D49-L53 PolarHBondContact O-N 3.11Å; K50-L53 PolarHBondContact O-N 3.4Å; S51-L53 VanDerWaalsContact C-N 3.32Å; S51-L53 PolarHBondContact O-N 3.42Å; L53-R56 PolarHBondContact O-N 2.96Å; L53-L57 HydrophobicContact CD1-CD1 4.16Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.39Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 WeakPolarHBondContact O-CG 3.31Å; L53-L57 PolarHBondContact O-N 2.92Å |
| 54 | L | 97.3 | Very high | 91 | Very high | 98 Ų | 98 | 115 Ų | 115 | 51% | 0.513 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.1 | -44.8 | 176.4 | -68.3 | 175.6 | 0 | 0 | 0 | 111.2 | K50 S51 R56 L57 L58 | K50-L54 HydrophobicContact CG-CD1 4.26Å; K50-L54 WeakPolarHBondContact O-CG 3.47Å; K50-L54 PolarHBondContact O-N 3.25Å; S51-L54 PolarHBondContact O-N 3.18Å; L54-R56 PolarHBondContact O-N 3.32Å; L54-L57 PolarHBondContact O-N 2.79Å; L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 PolarHBondContact O-N 3.42Å |
| 55 | D | 95.4 | Very high | 89 | Confident | 102 Ų | 102 | 119.2 Ų | 119.2 | 55% | 0.545 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.8 | -33.9 | 176.1 | -66 | -19.9 | 0 | 0 | 0 | 112 | S51 F52 Q59 | S51-D55 VanDerWaalsContact O-CG 3.24Å; S51-D55 PolarHBondContact O-N 3.11Å; F52-D55 PolarHBondContact O-N 3.38Å; D55-Q59 PolarHBondContact O-NE2 3.31Å |
| 56 | R | 95.8 | Very high | 87 | Confident | 113 Ų | 113 | 119.8 Ų | 119.8 | 43% | 0.426 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.9 | -44.4 | 175.7 | -173.6 | 55.2 | 176 | -179.2 | -0.6 | 112.4 | F52 L53 L54 Q59 Y60 | F52-R56 PolarHBondContact O-N 3.12Å; L53-R56 PolarHBondContact O-N 2.96Å; L54-R56 PolarHBondContact O-N 3.32Å; R56-Q59 WeakPolarHBondContact O-CB 3.3Å; R56-Q59 PolarHBondContact O-N 3.1Å; R56-Y60 HydrophobicContact CG-CE2 4.26Å; R56-Y60 PolarHBondContact NH2-OH 3.14Å; R56-Y60 VanDerWaalsContact O-CD2 3.24Å; R56-Y60 WeakPolarHBondContact O-CD2 3.34Å |
| 57 | L | 94.6 | Very high | 85 | Confident | 99 Ų | 99 | 120.2 Ų | 120.2 | 52% | 0.518 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67.2 | -36.1 | 179.6 | -73.2 | 171.4 | 0 | 0 | 0 | 112.2 | L53 L54 Q59 Y60 E61 | L53-L57 HydrophobicContact CD1-CD1 4.16Å; L53-L57 HydrophobicContact CD1-CG 4.17Å; L53-L57 HydrophobicContact CG-CD1 3.95Å; L53-L57 HydrophobicContact CG-CG 4.39Å; L53-L57 WeakPolarHBondContact O-CB 3.34Å; L53-L57 WeakPolarHBondContact O-CG 3.31Å; L53-L57 PolarHBondContact O-N 2.92Å; L54-L57 PolarHBondContact O-N 2.79Å; L57-Q59 PolarHBondContact O-N 2.99Å; L57-Q59 VanDerWaalsContact O-N 3.11Å; L57-Y60 PolarHBondContact O-N 3.37Å; L57-E61 PolarHBondContact O-N 3.16Å |
| 58 | L | 92.3 | Very high | 83 | Confident | 98 Ų | 98 | 121.8 Ų | 121.8 | 51% | 0.513 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -55.6 | -30.1 | 177 | -173.5 | 66 | 0 | 0 | 0 | 112.7 | L54 Y60 E61 | L54-L58 WeakPolarHBondContact O-CB 3.49Å; L54-L58 PolarHBondContact O-N 3.42Å; L58-Y60 PolarHBondContact O-N 3.47Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.5Å |
| 59 | Q | 91.4 | Very high | 81.3 | Confident | 110 Ų | 110 | 121.1 Ų | 121.1 | 51% | 0.514 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67 | -25.1 | 176.4 | -67.7 | 163.1 | 63.5 | 0 | 0 | 113 | D55 R56 L57 V63 | D55-Q59 PolarHBondContact O-NE2 3.31Å; R56-Q59 WeakPolarHBondContact O-CB 3.3Å; R56-Q59 PolarHBondContact O-N 3.1Å; L57-Q59 PolarHBondContact O-N 2.99Å; L57-Q59 VanDerWaalsContact O-N 3.11Å; Q59-V63 WeakPolarHBondContact O-CG2 3.38Å |
| 60 | Y | 90.5 | Very high | 79.5 | Confident | 129 Ų | 129 | 121.4 Ų | 121.4 | 51% | 0.506 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.8 | -12.2 | -177 | -63.8 | -78.4 | 0 | 0 | 0 | 113.4 | R56 L57 L58 R62 | R56-Y60 HydrophobicContact CG-CE2 4.26Å; R56-Y60 PolarHBondContact NH2-OH 3.14Å; R56-Y60 VanDerWaalsContact O-CD2 3.24Å; R56-Y60 WeakPolarHBondContact O-CD2 3.34Å; L57-Y60 PolarHBondContact O-N 3.37Å; L58-Y60 PolarHBondContact O-N 3.47Å; Y60-R62 PolarHBondContact O-N 3.46Å |
| 61 | E | 80.6 | Confident | 77.7 | Confident | 142 Ų | 142 | 120.9 Ų | 120.9 | 66% | 0.664 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -22.8 | 176.6 | -174.8 | 178 | -158.8 | 0 | 0 | 112.6 | L57 L58 | L57-E61 PolarHBondContact O-N 3.16Å; L58-E61 WeakPolarHBondContact CD1-OE2 3.5Å |
| 62 | R | 68.2 | Low | 75.6 | Confident | 204 Ų | 204 | 122.8 Ų | 122.8 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.5 | 45.6 | -171.3 | -54 | -174 | -166.1 | -174 | 2.2 | 113.9 | Y60 | Y60-R62 PolarHBondContact O-N 3.46Š|
| 63 | V | 61.1 | Low | 74 | Confident | 86 Ų | 86 | 121.7 Ų | 121.7 | 52% | 0.521 | 65% | 0.647 | S | S | . | * | S | Bend | trans | -115.7 | -18.9 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 113.4 | Q59 | Q59-V63 WeakPolarHBondContact O-CG2 3.38Š|
| 64 | D | 59.2 | Low | 71.5 | Confident | 136 Ų | 136 | 121.5 Ų | 121.5 | 73% | 0.727 | 66% | 0.659 | S | S | * | * | S | Bend | trans | -108.4 | 8.8 | -171.9 | -60.1 | -39.5 | 0 | 0 | 0 | 115.4 | D66 | D64-D66 VanDerWaalsContact C-N 3.28Š|
| 65 | E | 56 | Low | 69.5 | Low | 186 Ų | 186 | 123 Ų | 123 | 87% | 0.869 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -11.6 | 174.5 | -70.1 | -100.6 | 142.1 | 0 | 0 | 112.7 | ||
| 66 | D | 56.1 | Low | 67.5 | Low | 149 Ų | 149 | 123.7 Ų | 123.7 | 80% | 0.797 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98.3 | -3.2 | -178.9 | -59.6 | -14.2 | 0 | 0 | 0 | 113 | D64 S68 | D64-D66 VanDerWaalsContact C-N 3.28Å; D66-S68 PolarHBondContact O-N 3.35Å |
| 67 | S | 58.2 | Low | 65.4 | Low | 103 Ų | 103 | 127.3 Ų | 127.3 | 72% | 0.72 | 71% | 0.712 | S | S | * | * | trans | -75.6 | 73.8 | 170.4 | -176.3 | 0 | 0 | 0 | 0 | 109 | D69 | S67-D69 VanDerWaalsContact C-N 3.33Å; S67-D69 PolarHBondContact O-N 2.98Å | ||
| 68 | S | 56.3 | Low | 62.8 | Low | 96 Ų | 96 | 130 Ų | 130 | 67% | 0.671 | 73% | 0.727 | S | S | * | * | trans | -55.5 | 90.9 | 173.7 | -174.6 | 0 | 0 | 0 | 0 | 110.5 | D66 S70 | D66-S68 PolarHBondContact O-N 3.35Å; S68-S70 PolarHBondContact O-N 3.44Å; S68-S70 PolarHBondContact OG-OG 3.25Å | ||
| 69 | D | 62.3 | Low | 60.5 | Low | 159 Ų | 159 | 128.7 Ų | 128.7 | 85% | 0.85 | 73% | 0.726 | S | S | * | * | trans | -69.3 | 84.9 | 157.3 | -171.4 | 25.1 | 0 | 0 | 0 | 106.5 | S67 D71 | S67-D69 VanDerWaalsContact C-N 3.33Å; S67-D69 PolarHBondContact O-N 2.98Å; D69-D71 PolarHBondContact O-N 2.87Å | ||
| 70 | S | 60.8 | Low | 58.2 | Low | 94 Ų | 94 | 132.1 Ų | 132.1 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | trans | -69 | 114.2 | 176.9 | -73.7 | 0 | 0 | 0 | 0 | 109.2 | S68 | S68-S70 PolarHBondContact O-N 3.44Å; S68-S70 PolarHBondContact OG-OG 3.25Å | ||
| 71 | D | 61.8 | Low | 55.5 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 69% | 0.69 | 76% | 0.758 | S | S | * | * | trans | -36 | 128.6 | 169.4 | -161.7 | -66.3 | 0 | 0 | 0 | 113.2 | D69 T73 | D69-D71 PolarHBondContact O-N 2.87Å; D71-T73 PolarHBondContact OD1-N 3.36Å; D71-T73 PolarHBondContact OD1-OG1 3.07Å | ||
| 72 | A | 53.3 | Low | 53.5 | Low | 99 Ų | 99 | 131.9 Ų | 131.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -142.5 | 76.7 | 152.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | A74 | A72-A74 PolarHBondContact O-N 2.95Š| ||
| 73 | T | 63.8 | Low | 52 | Low | 125 Ų | 125 | 124.8 Ų | 124.8 | 77% | 0.767 | 76% | 0.758 | S | S | * | * | trans | -63.6 | 111.9 | 149.7 | 46.1 | 0 | 0 | 0 | 0 | 109.5 | D71 | D71-T73 PolarHBondContact OD1-N 3.36Å; D71-T73 PolarHBondContact OD1-OG1 3.07Å | ||
| 74 | A | 47.5 | Very low | 50.5 | Low | 95 Ų | 95 | 125.4 Ų | 125.4 | 79% | 0.785 | 76% | 0.762 | S | S | * | * | trans | -155.3 | 97.6 | 155.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | A72 S76 | A72-A74 PolarHBondContact O-N 2.95Å; A74-S76 PolarHBondContact O-N 2.89Å | ||
| 75 | S | 55.2 | Low | 49.4 | Very low | 129 Ų | 129 | 128.4 Ų | 128.4 | 90% | 0.902 | 76% | 0.763 | S | S | * | * | trans | -58.5 | 130.7 | 158.2 | -68 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 76 | S | 52.2 | Low | 48.3 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 76% | 0.758 | S | S | * | * | -165 | 126.4 | 128.6 | -133.1 | 0 | 0 | 0 | 0 | 111.7 | A74 | A74-S76 PolarHBondContact O-N 2.89Š| |||
| 77 | E | 52.2 | Low | 47.5 | Very low | 189 Ų | 189 | 130.5 Ų | 130.5 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -45.1 | 124.8 | 151.1 | 175.2 | 161.2 | -141.2 | 0 | 0 | 111.5 | ||||
| 78 | N | 39.2 | Very low | 46.2 | Very low | 156 Ų | 156 | 133.1 Ų | 133.1 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | trans | -177.6 | 146.9 | 135.8 | -168 | 38.3 | 0 | 0 | 0 | 111.8 | ||||
| 79 | S | 44.6 | Very low | 45.2 | Very low | 71 Ų | 71 | 132 Ų | 132 | 50% | 0.497 | 77% | 0.768 | S | S | . | * | trans | -64.5 | 158 | -175.6 | -155.3 | 0 | 0 | 0 | 0 | 116 | ||||
| 80 | E | 42.3 | Very low | 44.2 | Very low | 182 Ų | 182 | 128.1 Ų | 128.1 | 85% | 0.85 | 77% | 0.766 | S | S | * | * | trans | 21.4 | 127.2 | 149.8 | 71.8 | -152.5 | 123.3 | 0 | 0 | 120.7 | ||||
| 81 | G | 34.8 | Very low | 43.7 | Very low | 81 Ų | 81 | 133.1 Ų | 133.1 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | 178.9 | 93.9 | 167.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 82 | E | 38.1 | Very low | 43.2 | Very low | 184 Ų | 184 | 136.1 Ų | 136.1 | 86% | 0.86 | 78% | 0.782 | S | S | * | * | trans | -57.1 | 144.9 | 164.8 | -177.6 | -100.4 | 159.9 | 0 | 0 | 111 | ||||
| 83 | G | 36.3 | Very low | 43.1 | Very low | 55 Ų | 55 | 141.8 Ų | 141.8 | 57% | 0.567 | 78% | 0.783 | S | S | * | * | trans | 163 | 84.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 84 | T | 30.6 | Very low | 42.5 | Very low | 99 Ų | 99 | 147.4 Ų | 147.4 | 61% | 0.607 | 79% | 0.79 | S | S | * | * | trans | 39.1 | 135.3 | 131.7 | 21.8 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 85 | R | 36.4 | Very low | 42.3 | Very low | 200 Ų | 200 | 148.3 Ų | 148.3 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | 102.5 | 119.4 | 126 | -85.6 | 175 | -125.9 | -150.9 | 2.4 | 120.2 | |||||
| 86 | E | 33.2 | Very low | 42.1 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 77% | 0.766 | 78% | 0.782 | S | S | * | * | trans | 75.9 | 151.4 | 134.9 | -43.4 | -96.9 | 155.4 | 0 | 0 | 114.7 | ||||
| 87 | R | 38.1 | Very low | 42.3 | Very low | 215 Ų | 215 | 147.9 Ų | 147.9 | 81% | 0.811 | 78% | 0.784 | S | S | * | * | cis | 178.5 | 140.3 | -10.3 | 168.8 | 172.9 | -170.7 | -135.3 | 5.3 | 103.3 | ||||
| 88 | D | 31.7 | Very low | 41.8 | Very low | 158 Ų | 158 | 141.9 Ų | 141.9 | 85% | 0.845 | 77% | 0.773 | S | S | * | * | trans | 41 | 131.9 | 145.9 | -146.4 | -87.6 | 0 | 0 | 0 | 121.3 | ||||
| 89 | G | 35 | Very low | 42.1 | Very low | 71 Ų | 71 | 141.4 Ų | 141.4 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | 136 | 125.2 | 135.3 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 90 | G | 41.8 | Very low | 41.7 | Very low | 78 Ų | 78 | 141.5 Ų | 141.5 | 80% | 0.804 | 79% | 0.788 | S | S | * | * | trans | 141.5 | 62.5 | 150.1 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 91 | K | 49.8 | Very low | 41.7 | Very low | 199 Ų | 199 | 140.8 Ų | 140.8 | 87% | 0.865 | 79% | 0.789 | S | S | * | * | trans | -59.6 | 142.6 | 155.5 | -66.6 | 169.8 | 176.1 | 172.1 | 0 | 110.1 | ||||
| 92 | K | 50.7 | Low | 42.8 | Very low | 192 Ų | 192 | 142.5 Ų | 142.5 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 154.6 | 138.1 | 148.1 | -88.8 | 164.2 | -175.7 | -175.7 | 0 | 108.6 | ||||
| 93 | R | 52.4 | Low | 42.8 | Very low | 218 Ų | 218 | 138.9 Ų | 138.9 | 82% | 0.823 | 78% | 0.78 | S | S | * | * | cis | -163.8 | 126.1 | 5.7 | -85.1 | 146.7 | 78.7 | -157.8 | 2.8 | 106.1 | ||||
| 94 | R | 51.2 | Low | 43.1 | Very low | 243 Ų | 243 | 141.3 Ų | 141.3 | 92% | 0.917 | 79% | 0.788 | S | S | * | * | 18.8 | 108.2 | 115.7 | -153.4 | 175.6 | -171 | -131.9 | 3.8 | 115.7 | |||||
| 95 | S | 41.8 | Very low | 44 | Very low | 115 Ų | 115 | 142 Ų | 142 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -140.4 | 141.8 | 146.7 | 53.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 96 | S | 51.4 | Low | 44.3 | Very low | 104 Ų | 104 | 137.2 Ų | 137.2 | 73% | 0.727 | 80% | 0.795 | S | S | * | * | trans | -81.7 | 166.7 | -148.5 | -55.6 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 97 | P | 56.6 | Low | 45 | Very low | 131 Ų | 131 | 135.4 Ų | 135.4 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | trans | -84.5 | 151 | 173.6 | 35.4 | -32.6 | 0 | 0 | 0 | 111.2 | ||||
| 98 | G | 41.4 | Very low | 45.3 | Very low | 63 Ų | 63 | 131.9 Ų | 131.9 | 65% | 0.649 | 79% | 0.793 | S | S | * | * | trans | -155.7 | 113.4 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 99 | V | 45.1 | Very low | 46.1 | Very low | 147 Ų | 147 | 132.8 Ų | 132.8 | 89% | 0.891 | 80% | 0.797 | S | S | * | * | trans | 54.7 | 118.4 | 142.4 | -67.4 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 100 | G | 36.8 | Very low | 46.5 | Very low | 72 Ų | 72 | 133.4 Ų | 133.4 | 74% | 0.742 | 79% | 0.79 | S | S | * | * | cis | 83.5 | 77.3 | 20.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 101 | L | 41.7 | Very low | 46.7 | Very low | 168 Ų | 168 | 137.6 Ų | 137.6 | 88% | 0.88 | 79% | 0.792 | S | S | * | * | trans | -149.9 | 136.6 | 158.3 | -95 | 166.8 | 0 | 0 | 0 | 110.5 | ||||
| 102 | P | 58 | Low | 46.4 | Very low | 116 Ų | 116 | 135.4 Ų | 135.4 | 75% | 0.753 | 79% | 0.789 | S | S | * | * | trans | -99.9 | 173.5 | 179.6 | 38.9 | -31.9 | 0 | 0 | 0 | 112.6 | ||||
| 103 | S | 39.8 | Very low | 46.2 | Very low | 108 Ų | 108 | 131.8 Ų | 131.8 | 76% | 0.755 | 79% | 0.788 | S | S | * | * | trans | 101.6 | 112 | 161.4 | -157.1 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 104 | S | 41 | Very low | 45.7 | Very low | 106 Ų | 106 | 131.8 Ų | 131.8 | 74% | 0.741 | 79% | 0.788 | S | S | * | * | -178.2 | 136.1 | 89.6 | -73.9 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 105 | S | 50 | Low | 45.2 | Very low | 115 Ų | 115 | 125.8 Ų | 125.8 | 80% | 0.804 | 78% | 0.784 | S | S | * | * | trans | -49.2 | 136.2 | 160.8 | 50.1 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 106 | S | 43.6 | Very low | 45.5 | Very low | 99 Ų | 99 | 123.2 Ų | 123.2 | 69% | 0.692 | 78% | 0.776 | S | S | * | * | trans | -156.7 | 104.2 | 150.3 | 178 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 107 | S | 47.4 | Very low | 45.3 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 88% | 0.881 | 78% | 0.777 | S | S | * | * | trans | -70.4 | 118.3 | 164.7 | -47.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 108 | H | 44.4 | Very low | 45 | Very low | 141 Ų | 141 | 125.6 Ų | 125.6 | 65% | 0.653 | 78% | 0.777 | S | S | * | * | trans | -148.2 | 97.5 | 156.5 | 60.2 | -79.2 | 0 | 0 | 0 | 109.9 | S110 | H108-S110 PolarHBondContact O-N 3.3Å; H108-S110 VanDerWaalsContact O-N 3.17Å | ||
| 109 | L | 47.5 | Very low | 45.5 | Very low | 177 Ų | 177 | 128.2 Ų | 128.2 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -76.3 | 94.1 | 161.3 | -66.6 | 174.6 | 0 | 0 | 0 | 107 | L111 | L109-L111 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact O-N 3.11Å | ||
| 110 | S | 43.6 | Very low | 45.4 | Very low | 84 Ų | 84 | 129.1 Ų | 129.1 | 59% | 0.587 | 78% | 0.782 | S | S | * | * | trans | -71.7 | 100.3 | 172.1 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | H108 L112 | H108-S110 PolarHBondContact O-N 3.3Å; H108-S110 VanDerWaalsContact O-N 3.17Å; S110-L112 PolarHBondContact O-N 3.44Å; S110-L112 VanDerWaalsContact O-N 3.08Å | ||
| 111 | L | 45.9 | Very low | 46.1 | Very low | 165 Ų | 165 | 135 Ų | 135 | 86% | 0.864 | 79% | 0.79 | S | S | * | * | trans | -67.9 | 94.2 | 159.8 | -68.7 | 170.4 | 0 | 0 | 0 | 107.8 | L109 S113 | L109-L111 PolarHBondContact O-N 3.11Å; L109-L111 VanDerWaalsContact O-N 3.11Å; L111-S113 PolarHBondContact O-N 3.48Å; L111-S113 VanDerWaalsContact O-N 3.1Å | ||
| 112 | L | 45.1 | Very low | 46.1 | Very low | 153 Ų | 153 | 132.4 Ų | 132.4 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | -72.9 | 100 | 162.7 | -85.1 | 85.8 | 0 | 0 | 0 | 108.1 | S110 R114 | S110-L112 PolarHBondContact O-N 3.44Å; S110-L112 VanDerWaalsContact O-N 3.08Å; L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.08Å | ||
| 113 | S | 45.2 | Very low | 45.8 | Very low | 116 Ų | 116 | 132.8 Ų | 132.8 | 81% | 0.811 | 79% | 0.791 | S | S | * | * | trans | -60.6 | 92.9 | 159.9 | -54.9 | 0 | 0 | 0 | 0 | 109 | L111 S115 | L111-S113 PolarHBondContact O-N 3.48Å; L111-S113 VanDerWaalsContact O-N 3.1Å; S113-S115 PolarHBondContact O-N 3.16Å | ||
| 114 | R | 41.4 | Very low | 46.5 | Very low | 218 Ų | 218 | 131.5 Ų | 131.5 | 82% | 0.823 | 80% | 0.795 | S | S | * | * | trans | -81.9 | 95 | 170.6 | -161.7 | 164.2 | 175.8 | -98 | 1.3 | 108.5 | L112 | L112-R114 VanDerWaalsContact C-N 3.32Å; L112-R114 PolarHBondContact O-N 3.08Å | ||
| 115 | S | 41.3 | Very low | 46.8 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 83% | 0.825 | 79% | 0.788 | S | S | * | * | trans | -58.6 | 135.7 | 163.2 | 179.9 | 0 | 0 | 0 | 0 | 110.1 | S113 | S113-S115 PolarHBondContact O-N 3.16Š| ||
| 116 | G | 48.8 | Very low | 46.9 | Very low | 61 Ų | 61 | 128.8 Ų | 128.8 | 63% | 0.629 | 77% | 0.773 | S | S | * | * | trans | 94 | 84.2 | 155.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 117 | V | 46.8 | Very low | 47.7 | Very low | 125 Ų | 125 | 128.8 Ų | 128.8 | 76% | 0.758 | 77% | 0.771 | S | S | * | * | trans | -144 | 125.3 | 139.3 | -72.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 118 | N | 50.6 | Low | 48.2 | Very low | 159 Ų | 159 | 131.2 Ų | 131.2 | 85% | 0.85 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 131.7 | 175.6 | -100.5 | -25 | 0 | 0 | 0 | 111.2 | L120 | N118-L120 PolarHBondContact O-N 3.32Š|
| 119 | P | 52.2 | Low | 49.1 | Very low | 118 Ų | 118 | 130.4 Ų | 130.4 | 77% | 0.766 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -80 | 116.1 | 158.1 | -2.7 | 21.3 | 0 | 0 | 0 | 108.4 | Q121 | P119-Q121 PolarHBondContact O-N 3.05Š|
| 120 | L | 42.1 | Very low | 49.9 | Very low | 166 Ų | 166 | 128.9 Ų | 128.9 | 87% | 0.869 | 75% | 0.754 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 134.1 | 163 | -125.5 | 68.8 | 0 | 0 | 0 | 108.9 | N118 S122 | N118-L120 PolarHBondContact O-N 3.32Å; L120-S122 PolarHBondContact O-N 2.85Å; L120-S122 VanDerWaalsContact O-N 3.08Å |
| 121 | Q | 52.6 | Low | 51.2 | Low | 195 Ų | 195 | 130 Ų | 130 | 91% | 0.911 | 76% | 0.758 | S | S | * | * | trans | -52.2 | 110.9 | -179.6 | -63.4 | -177.3 | -14.6 | 0 | 0 | 111 | P119 | P119-Q121 PolarHBondContact O-N 3.05Š| ||
| 122 | S | 41 | Very low | 52.6 | Low | 114 Ų | 114 | 127.1 Ų | 127.1 | 80% | 0.797 | 74% | 0.743 | S | S | * | * | trans | -103.8 | 107.1 | 159.6 | -169.6 | 0 | 0 | 0 | 0 | 106.9 | L120 G124 | L120-S122 PolarHBondContact O-N 2.85Å; L120-S122 VanDerWaalsContact O-N 3.08Å; S122-G124 PolarHBondContact O-N 2.99Å | ||
| 123 | S | 52.7 | Low | 53.9 | Low | 124 Ų | 124 | 123.3 Ų | 123.3 | 87% | 0.867 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | 128.3 | 175.1 | -75 | 0 | 0 | 0 | 0 | 111.2 | ||
| 124 | G | 53.1 | Low | 54.9 | Low | 81 Ų | 81 | 126.3 Ų | 126.3 | 84% | 0.835 | 73% | 0.726 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.5 | 14.7 | 150 | 0 | 0 | 0 | 0 | 0 | 119.2 | S122 | S122-G124 PolarHBondContact O-N 2.99Š|
| 125 | S | 48.6 | Very low | 56.5 | Low | 84 Ų | 84 | 119.3 Ų | 119.3 | 59% | 0.587 | 71% | 0.708 | S | S | * | * | trans | -101.1 | 113.1 | 170.2 | -178.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 126 | T | 51.2 | Low | 58.3 | Low | 80 Ų | 80 | 114.8 Ų | 114.8 | 49% | 0.491 | 68% | 0.676 | S | S | . | * | trans | -56.3 | 138.1 | 170 | 47.8 | 0 | 0 | 0 | 0 | 110 | Y128 L129 | T126-Y128 PolarHBondContact O-N 2.85Å; T126-L129 PolarHBondContact O-N 3Å | ||
| 127 | P | 60.7 | Low | 59.3 | Low | 100 Ų | 100 | 118.6 Ų | 118.6 | 65% | 0.649 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | -16.1 | -177.4 | 25 | -33.8 | 0 | 0 | 0 | 113.1 | ||
| 128 | Y | 58.5 | Low | 60.5 | Low | 176 Ų | 176 | 121.9 Ų | 121.9 | 69% | 0.69 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.4 | -27.4 | 178.4 | -71.7 | -78 | 0 | 0 | 0 | 114.1 | T126 N130 L132 | T126-Y128 PolarHBondContact O-N 2.85Å; Y128-N130 VanDerWaalsContact C-N 3.29Å; Y128-N130 PolarHBondContact O-N 2.9Å; Y128-L132 WeakPolarHBondContact O-CD1 3.4Å; Y128-L132 VanDerWaalsContact O-CG 3.25Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å |
| 129 | L | 62.8 | Low | 61.6 | Low | 124 Ų | 124 | 118.6 Ų | 118.6 | 65% | 0.649 | 66% | 0.66 | S | S | * | * | H | α-helix | trans | -74.4 | -22.4 | -179.6 | -68.1 | -174.5 | 0 | 0 | 0 | 113.1 | T126 | T126-L129 PolarHBondContact O-N 3Å |
| 130 | N | 64.3 | Low | 62.6 | Low | 146 Ų | 146 | 115 Ų | 115 | 78% | 0.781 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -92.9 | -16.5 | -174.5 | -130.6 | -17.5 | 0 | 0 | 0 | 113.3 | Y128 | Y128-N130 VanDerWaalsContact C-N 3.29Å; Y128-N130 PolarHBondContact O-N 2.9Å |
| 131 | T | 71.3 | Confident | 63.8 | Low | 108 Ų | 108 | 112.6 Ų | 112.6 | 66% | 0.663 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -100.6 | -10.4 | -179.3 | 57.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 132 | L | 75.3 | Confident | 64.1 | Low | 104 Ų | 104 | 109.2 Ų | 109.2 | 55% | 0.545 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -76.6 | 130.3 | 177.6 | -70.8 | 171 | 0 | 0 | 0 | 110.2 | Y128 F134 | Y128-L132 WeakPolarHBondContact O-CD1 3.4Å; Y128-L132 VanDerWaalsContact O-CG 3.25Å; Y128-L132 WeakPolarHBondContact O-CG 3.49Å; L132-F134 PolarHBondContact O-N 3.47Å; L132-F134 VanDerWaalsContact O-N 3.1Å |
| 133 | P | 71.1 | Confident | 65.2 | Low | 72 Ų | 72 | 108.1 Ų | 108.1 | 47% | 0.468 | 63% | 0.627 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 117.5 | 171 | 25.5 | -31 | 0 | 0 | 0 | 108.4 | P135 E137 | P133-P135 CarbonylContact O-C 3.16Å; P133-P135 VanDerWaalsContact O-O 3.1Å; P133-E137 WeakPolarHBondContact CG-OE1 3.35Å |
| 134 | F | 66.4 | Low | 65.1 | Low | 180 Ų | 180 | 110.6 Ų | 110.6 | 79% | 0.789 | 63% | 0.625 | S | S | * | * | S | Bend | trans | -91.7 | 129.7 | 172.6 | -168.9 | -95.7 | 0 | 0 | 0 | 109.5 | L132 | L132-F134 PolarHBondContact O-N 3.47Å; L132-F134 VanDerWaalsContact O-N 3.1Å |
| 135 | P | 75.6 | Confident | 65 | Low | 70 Ų | 70 | 118 Ų | 118 | 46% | 0.455 | 63% | 0.628 | S | S | . | * | S | Bend | cis | -78.8 | 149.3 | 1.6 | 31.9 | -34.1 | 0 | 0 | 0 | 113 | P133 | P133-P135 CarbonylContact O-C 3.16Å; P133-P135 VanDerWaalsContact O-O 3.1Å |
| 136 | P | 78.1 | Confident | 65.1 | Low | 24 Ų | 24 | 122.3 Ų | 122.3 | 16% | 0.156 | 64% | 0.641 | C | S | . | * | P | Polyproline II helix | trans | -51.2 | 141.5 | 176.5 | -24.6 | 31.7 | 0 | 0 | 0 | 112.1 | Y138 L139 A140 | P136-Y138 HydrophobicContact CB-CD1 3.67Å; P136-Y138 HydrophobicContact CB-CD2 4.35Å; P136-Y138 HydrophobicContact CB-CE1 3.17Å; P136-Y138 HydrophobicContact CB-CE2 3.91Å; P136-Y138 HydrophobicContact CB-CG 4.24Å; P136-Y138 HydrophobicContact CG-CE1 4.05Å; P136-Y138 HydrophobicContact CG-CE2 4.36Å; P136-Y138 WeakPolarHBondContact CG-OH 3.24Å; P136-Y138 PolarHBondContact O-N 3.47Å; P136-L139 WeakPolarHBondContact O-CA 3.44Å; P136-L139 PolarHBondContact O-N 3.48Å; P136-A140 PolarHBondContact O-N 2.93Å |
| 137 | E | 71.5 | Confident | 64.8 | Low | 141 Ų | 141 | 127.7 Ų | 127.7 | 66% | 0.659 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.2 | -21.7 | -171.9 | -68.1 | 101.9 | 173 | 0 | 0 | 114.1 | P133 L139 A140 | P133-E137 WeakPolarHBondContact CG-OE1 3.35Å; E137-L139 VanDerWaalsContact C-N 3.31Å; E137-A140 PolarHBondContact O-N 3.21Å |
| 138 | Y | 72.1 | Confident | 64.5 | Low | 193 Ų | 193 | 132.9 Ų | 132.9 | 76% | 0.757 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | -17.9 | 174.2 | 57.3 | -98.3 | 0 | 0 | 0 | 114 | P136 | P136-Y138 HydrophobicContact CB-CD1 3.67Å; P136-Y138 HydrophobicContact CB-CD2 4.35Å; P136-Y138 HydrophobicContact CB-CE1 3.17Å; P136-Y138 HydrophobicContact CB-CE2 3.91Å; P136-Y138 HydrophobicContact CB-CG 4.24Å; P136-Y138 HydrophobicContact CG-CE1 4.05Å; P136-Y138 HydrophobicContact CG-CE2 4.36Å; P136-Y138 WeakPolarHBondContact CG-OH 3.24Å; P136-Y138 PolarHBondContact O-N 3.47Å |
| 139 | L | 73.1 | Confident | 64.2 | Low | 90 Ų | 90 | 133.4 Ų | 133.4 | 47% | 0.471 | 68% | 0.678 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -97.7 | -12.1 | 171.2 | -62.8 | -178.6 | 0 | 0 | 0 | 112.3 | P136 E137 | P136-L139 WeakPolarHBondContact O-CA 3.44Å; P136-L139 PolarHBondContact O-N 3.48Å; E137-L139 VanDerWaalsContact C-N 3.31Å |
| 140 | A | 71.9 | Confident | 64 | Low | 42 Ų | 42 | 138.6 Ų | 138.6 | 35% | 0.347 | 69% | 0.689 | S | S | . | * | S | Bend | trans | -73.4 | 127.5 | 174 | 0 | 0 | 0 | 0 | 0 | 109.1 | P136 E137 | P136-A140 PolarHBondContact O-N 2.93Å; E137-A140 PolarHBondContact O-N 3.21Å |
| 141 | P | 67.6 | Low | 63.4 | Low | 116 Ų | 116 | 141.5 Ų | 141.5 | 75% | 0.753 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -53.3 | 135.5 | 172.5 | -25.4 | 34.2 | 0 | 0 | 0 | 110 | A143 | P141-A143 PolarHBondContact O-N 3.35Š|
| 142 | P | 60.2 | Low | 62.4 | Low | 125 Ų | 125 | 142.9 Ų | 142.9 | 81% | 0.812 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 116.8 | -178.7 | 23.1 | -31.6 | 0 | 0 | 0 | 108.4 | E144 | P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.4Å |
| 143 | A | 63.1 | Low | 61 | Low | 90 Ų | 90 | 147.4 Ų | 147.4 | 74% | 0.744 | 72% | 0.719 | S | S | * | * | trans | -64.9 | 97.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 107.2 | P141 R145 | P141-A143 PolarHBondContact O-N 3.35Å; A143-R145 PolarHBondContact O-N 3.04Å | ||
| 144 | E | 51.2 | Low | 59.9 | Low | 176 Ų | 176 | 148.6 Ų | 148.6 | 82% | 0.822 | 74% | 0.735 | S | S | * | * | trans | -51 | 108.9 | 169 | -106.8 | -157.5 | 157.5 | 0 | 0 | 107.4 | P142 M146 | P142-E144 VanDerWaalsContact C-N 3.31Å; P142-E144 PolarHBondContact O-N 3.4Å; E144-M146 PolarHBondContact O-N 2.87Å | ||
| 145 | R | 50.3 | Low | 59.1 | Low | 237 Ų | 237 | 146.1 Ų | 146.1 | 89% | 0.894 | 74% | 0.737 | S | S | * | * | trans | -68.6 | 87.7 | 170 | -67.1 | -179.4 | -177.5 | 149.9 | 0 | 106.2 | A143 K147 | A143-R145 PolarHBondContact O-N 3.04Å; R145-K147 VanDerWaalsContact C-N 3.27Å; R145-K147 PolarHBondContact O-N 3.26Å | ||
| 146 | M | 50.7 | Low | 57.5 | Low | 174 Ų | 174 | 151.8 Ų | 151.8 | 86% | 0.857 | 75% | 0.754 | S | S | * | * | trans | -50.1 | 95.5 | 162.7 | 41.7 | -178.1 | 99.2 | 0 | 0 | 107.9 | E144 K148 | E144-M146 PolarHBondContact O-N 2.87Å; M146-K148 PolarHBondContact O-N 2.98Å | ||
| 147 | K | 46 | Very low | 55.7 | Low | 193 Ų | 193 | 158.9 Ų | 158.9 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -54.2 | 125.1 | 165.3 | -88.3 | -175.1 | 170.7 | 175.6 | 0 | 105.6 | R145 E149 | R145-K147 VanDerWaalsContact C-N 3.27Å; R145-K147 PolarHBondContact O-N 3.26Å; K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 PolarHBondContact O-N 3.38Å | ||
| 148 | K | 53 | Low | 54.3 | Low | 209 Ų | 209 | 162.5 Ų | 162.5 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | -53.2 | 94.8 | 172.1 | -82.8 | 176.6 | 170 | 170.4 | 0 | 109.1 | M146 | M146-K148 PolarHBondContact O-N 2.98Š| ||
| 149 | E | 52.8 | Low | 52.7 | Low | 188 Ų | 188 | 161.5 Ų | 161.5 | 88% | 0.879 | 80% | 0.798 | S | S | * | * | trans | -69.2 | 134.2 | 165.1 | -74.3 | -128 | 115.7 | 0 | 0 | 108.7 | K147 K151 | K147-E149 VanDerWaalsContact C-N 3.29Å; K147-E149 PolarHBondContact O-N 3.38Å; E149-K151 PolarHBondContact O-N 3.33Å | ||
| 150 | R | 57.9 | Low | 50.9 | Low | 233 Ų | 233 | 164.7 Ų | 164.7 | 88% | 0.879 | 81% | 0.811 | S | S | * | * | trans | -69.6 | 121.9 | -175.1 | -72 | 171.3 | 157.7 | -167.5 | -5.5 | 109.7 | T152 | R150-T152 PolarHBondContact O-N 3.19Š| ||
| 151 | K | 51.9 | Low | 49.3 | Very low | 206 Ų | 206 | 169.2 Ų | 169.2 | 90% | 0.896 | 83% | 0.834 | S | S | * | * | trans | 7.6 | 98.5 | 148.6 | -173.5 | 174.3 | 173.7 | 176.7 | 0 | 115.3 | E149 | E149-K151 PolarHBondContact O-N 3.33Š| ||
| 152 | T | 49.6 | Very low | 47.9 | Very low | 137 Ų | 137 | 169.1 Ų | 169.1 | 84% | 0.84 | 84% | 0.836 | S | S | * | * | trans | -106.1 | 134.9 | 161.6 | 43.1 | 0 | 0 | 0 | 0 | 110.1 | R150 | R150-T152 PolarHBondContact O-N 3.19Š| ||
| 153 | K | 47 | Very low | 46.9 | Very low | 199 Ų | 199 | 166.5 Ų | 166.5 | 87% | 0.865 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 137.4 | -176.3 | -79.3 | 179.3 | 169.4 | 178.2 | 0 | 111.2 | ||
| 154 | A | 48.8 | Very low | 46.1 | Very low | 98 Ų | 98 | 172 Ų | 172 | 81% | 0.81 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 138 | 168 | 0 | 0 | 0 | 0 | 0 | 112 | ||
| 155 | P | 48.1 | Very low | 45.6 | Very low | 128 Ų | 128 | 170.6 Ų | 170.6 | 83% | 0.831 | 84% | 0.842 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 144.7 | 156.7 | 32.6 | -27.2 | 0 | 0 | 0 | 111.9 | ||
| 156 | K | 41.6 | Very low | 45.2 | Very low | 188 Ų | 188 | 165.6 Ų | 165.6 | 82% | 0.817 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 147.6 | -171.8 | -72.8 | -177.1 | 173.4 | -178.7 | 0 | 113.9 | ||
| 157 | H | 41.9 | Very low | 44.7 | Very low | 173 Ų | 173 | 161.3 Ų | 161.3 | 80% | 0.801 | 83% | 0.83 | S | S | * | * | trans | 4.6 | 129.9 | 151.5 | -40.7 | -77.3 | 0 | 0 | 0 | 119 | ||||
| 158 | K | 40.4 | Very low | 44.6 | Very low | 218 Ų | 218 | 158.1 Ų | 158.1 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | trans | -143.9 | 141.2 | 137.5 | -107.1 | -162.4 | 178.3 | -174.6 | 0 | 112.8 | ||||
| 159 | K | 39 | Very low | 44.1 | Very low | 172 Ų | 172 | 156.5 Ų | 156.5 | 75% | 0.748 | 83% | 0.83 | S | S | * | * | trans | -63.1 | 146.6 | -171.8 | -177.4 | 176.1 | 175.7 | 175.9 | 0 | 115.6 | ||||
| 160 | E | 35.6 | Very low | 43.4 | Very low | 157 Ų | 157 | 151.9 Ų | 151.9 | 73% | 0.734 | 82% | 0.823 | S | S | * | * | trans | 30.6 | 132 | 150.2 | -60.5 | 173.7 | 153.6 | 0 | 0 | 120.5 | ||||
| 161 | T | 39.5 | Very low | 42.6 | Very low | 137 Ų | 137 | 145.1 Ų | 145.1 | 84% | 0.84 | 82% | 0.817 | S | S | * | * | -146.6 | 125.9 | 126.8 | 68.5 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 162 | S | 36.9 | Very low | 42.1 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 79% | 0.79 | 82% | 0.815 | S | S | * | * | trans | -24.2 | 132.2 | 160.5 | 52.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 163 | G | 40.2 | Very low | 42.2 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 73% | 0.732 | 81% | 0.812 | S | S | * | * | 69.4 | 109.9 | 113.4 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 164 | K | 44.7 | Very low | 42.5 | Very low | 205 Ų | 205 | 142.4 Ų | 142.4 | 89% | 0.891 | 81% | 0.81 | S | S | * | * | trans | -154.8 | 111.1 | 136.1 | -111 | 166.8 | -176.6 | 179.3 | 0 | 109.7 | ||||
| 165 | V | 40.9 | Very low | 41.9 | Very low | 147 Ų | 147 | 143 Ų | 143 | 89% | 0.891 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 121.6 | 170.3 | 179.7 | 0 | 0 | 0 | 0 | 107.1 | ||
| 166 | V | 41.7 | Very low | 41.5 | Very low | 132 Ų | 132 | 139.9 Ų | 139.9 | 80% | 0.8 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 117.4 | 169.4 | 174.7 | 0 | 0 | 0 | 0 | 107.3 | ||
| 167 | A | 40.6 | Very low | 42 | Very low | 83 Ų | 83 | 137.4 Ų | 137.4 | 69% | 0.686 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -71.1 | 140.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||
| 168 | P | 45.2 | Very low | 42.1 | Very low | 127 Ų | 127 | 136.1 Ų | 136.1 | 83% | 0.825 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 117.6 | 169.6 | 31 | -28.1 | 0 | 0 | 0 | 109.4 | ||
| 169 | L | 42.7 | Very low | 42.4 | Very low | 175 Ų | 175 | 129.9 Ų | 129.9 | 92% | 0.916 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -77.4 | 124.5 | 166.7 | -173.1 | 65.8 | 0 | 0 | 0 | 108.4 | ||
| 170 | A | 37.2 | Very low | 43 | Very low | 91 Ų | 91 | 127.1 Ų | 127.1 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 128.1 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||
| 171 | A | 40.8 | Very low | 43.5 | Very low | 90 Ų | 90 | 125.7 Ų | 125.7 | 74% | 0.744 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 117 | 165.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||
| 172 | N | 42.1 | Very low | 43.6 | Very low | 159 Ų | 159 | 125.1 Ų | 125.1 | 85% | 0.85 | 80% | 0.803 | S | S | * | * | trans | -92.6 | 110 | 178.6 | -157 | 13.2 | 0 | 0 | 0 | 108.3 | ||||
| 173 | Y | 51.6 | Low | 44.2 | Very low | 201 Ų | 201 | 125.2 Ų | 125.2 | 79% | 0.788 | 80% | 0.804 | S | S | * | * | trans | -126.4 | 132 | 167.5 | -81.1 | -81.5 | 0 | 0 | 0 | 108.9 | ||||
| 174 | P | 52.3 | Low | 44.7 | Very low | 126 Ų | 126 | 126.7 Ų | 126.7 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | -73.4 | 136.2 | 176.2 | 28.4 | -31.8 | 0 | 0 | 0 | 111.5 | ||||
| 175 | A | 37.3 | Very low | 44.8 | Very low | 109 Ų | 109 | 121.7 Ų | 121.7 | 90% | 0.901 | 80% | 0.8 | S | S | * | * | trans | -67.9 | 133.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 176 | G | 39.7 | Very low | 45.4 | Very low | 63 Ų | 63 | 118.5 Ų | 118.5 | 65% | 0.649 | 78% | 0.784 | S | S | * | * | trans | -108.1 | 156.8 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 177 | P | 50.9 | Low | 45.5 | Very low | 136 Ų | 136 | 121.6 Ų | 121.6 | 88% | 0.883 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 141.9 | -157.6 | 28.5 | -34.7 | 0 | 0 | 0 | 114.5 | ||||
| 178 | T | 45.6 | Very low | 46.3 | Very low | 146 Ų | 146 | 124.3 Ų | 124.3 | 90% | 0.896 | 79% | 0.79 | S | S | * | * | trans | -73.6 | 125.6 | 176.4 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 179 | A | 47 | Very low | 46.4 | Very low | 88 Ų | 88 | 125.8 Ų | 125.8 | 73% | 0.727 | 78% | 0.78 | S | S | * | * | trans | -120.9 | 139.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 180 | P | 50.2 | Low | 47.3 | Very low | 114 Ų | 114 | 122 Ų | 122 | 74% | 0.74 | 76% | 0.764 | S | S | * | * | trans | -82.6 | 131.2 | -175.7 | 32.1 | -31.6 | 0 | 0 | 0 | 110.9 | T182 | P180-T182 PolarHBondContact O-N 2.92Š| ||
| 181 | P | 47.2 | Very low | 48.3 | Very low | 126 Ų | 126 | 121.5 Ų | 121.5 | 82% | 0.818 | 75% | 0.753 | S | S | * | * | trans | -77.2 | 112.5 | 161.7 | 29.1 | -28.8 | 0 | 0 | 0 | 108.7 | ||||
| 182 | T | 41.4 | Very low | 49.1 | Very low | 126 Ų | 126 | 127.8 Ų | 127.8 | 77% | 0.773 | 76% | 0.757 | S | S | * | * | trans | -51.4 | 134.8 | 167.9 | 50.6 | 0 | 0 | 0 | 0 | 110.9 | P180 S184 | P180-T182 PolarHBondContact O-N 2.92Å; T182-S184 PolarHBondContact O-N 3.28Å | ||
| 183 | S | 49.4 | Very low | 50 | Low | 114 Ų | 114 | 128.8 Ų | 128.8 | 80% | 0.797 | 76% | 0.757 | S | S | * | * | S | Bend | trans | -50.2 | 119.1 | 167.3 | 51.4 | 0 | 0 | 0 | 0 | 112.4 | ||
| 184 | S | 50.8 | Low | 50 | Low | 102 Ų | 102 | 127.2 Ų | 127.2 | 71% | 0.713 | 76% | 0.759 | S | S | * | * | trans | 164.2 | 57.5 | 139.7 | 49.3 | 0 | 0 | 0 | 0 | 110.9 | T182 S186 | T182-S184 PolarHBondContact O-N 3.28Å; S184-S186 PolarHBondContact O-N 3.35Å | ||
| 185 | A | 46.7 | Very low | 50.2 | Low | 100 Ų | 100 | 127.7 Ų | 127.7 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -76.5 | 79.6 | 159.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | F187 | A185-F187 PolarHBondContact O-N 2.89Š| ||
| 186 | S | 52.3 | Low | 50.9 | Low | 81 Ų | 81 | 128.1 Ų | 128.1 | 57% | 0.566 | 75% | 0.75 | S | S | * | * | trans | -49.9 | 132.7 | 163.8 | -59.4 | 0 | 0 | 0 | 0 | 108.8 | S184 N188 | S184-S186 PolarHBondContact O-N 3.35Å; S186-N188 VanDerWaalsContact C-N 3.33Å; S186-N188 PolarHBondContact O-N 3.17Å; S186-N188 PolarHBondContact O-ND2 3.11Å | ||
| 187 | F | 44.6 | Very low | 51.4 | Low | 196 Ų | 196 | 128.4 Ų | 128.4 | 86% | 0.86 | 75% | 0.753 | S | S | * | * | trans | -56 | 90.1 | 177.6 | -79.7 | -98.1 | 0 | 0 | 0 | 111 | A185 W189 | A185-F187 PolarHBondContact O-N 2.89Å; F187-W189 VanDerWaalsContact C-N 3.34Å; F187-W189 PolarHBondContact O-N 3.08Å | ||
| 188 | N | 57 | Low | 51.1 | Low | 140 Ų | 140 | 129.6 Ų | 129.6 | 75% | 0.749 | 75% | 0.752 | S | S | * | * | trans | -91.1 | 71.4 | 174.3 | -69 | -54 | 0 | 0 | 0 | 109.2 | S186 V190 | S186-N188 VanDerWaalsContact C-N 3.33Å; S186-N188 PolarHBondContact O-N 3.17Å; S186-N188 PolarHBondContact O-ND2 3.11Å; N188-V190 VanDerWaalsContact C-N 3.32Å | ||
| 189 | W | 47.9 | Very low | 50.8 | Low | 159 Ų | 159 | 126.8 Ų | 126.8 | 60% | 0.602 | 74% | 0.743 | S | S | * | * | trans | -93 | 10 | 168.8 | -92.5 | 52.9 | 0 | 0 | 0 | 112.9 | F32 E35 F187 P191 | F32-W189 AromaticContact CD1-CZ3 3.89Å; F32-W189 HydrophobicContact CD1-CZ3 3.89Å; F32-W189 AromaticContact CE1-CE3 3.75Å; F32-W189 HydrophobicContact CE1-CE3 3.75Å; F32-W189 AromaticContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CE1-CZ3 3.37Å; F32-W189 HydrophobicContact CZ-CE3 4.46Å; F32-W189 HydrophobicContact CZ-CZ3 4.25Å; E35-W189 WeakPolarHBondContact OE2-CH2 3.35Å; F187-W189 VanDerWaalsContact C-N 3.34Å; F187-W189 PolarHBondContact O-N 3.08Å; W189-P191 WeakPolarHBondContact O-CD 3.48Å | ||
| 190 | V | 61.8 | Low | 50.4 | Low | 96 Ų | 96 | 127.6 Ų | 127.6 | 58% | 0.582 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -88.7 | 118.6 | 175.2 | -176.2 | 0 | 0 | 0 | 0 | 108.5 | N188 R192 L195 | N188-V190 VanDerWaalsContact C-N 3.32Å; V190-R192 PolarHBondContact O-N 3.1Å; V190-L195 HydrophobicContact CG1-CD1 4.14Å |
| 191 | P | 57.2 | Low | 50.4 | Low | 80 Ų | 80 | 131.6 Ų | 131.6 | 52% | 0.519 | 76% | 0.759 | S | S | . | * | trans | -57.5 | 110.4 | 168.6 | -23.2 | 34.7 | 0 | 0 | 0 | 109.3 | W189 Q193 M194 | W189-P191 WeakPolarHBondContact O-CD 3.48Å; P191-Q193 PolarHBondContact O-N 3.11Å; P191-M194 PolarHBondContact O-N 3.37Å; P191-M194 VanDerWaalsContact O-N 3.16Å | ||
| 192 | R | 58.8 | Low | 50.4 | Low | 221 Ų | 221 | 134.8 Ų | 134.8 | 83% | 0.834 | 76% | 0.763 | S | S | * | * | G | 310 helix | trans | -57.8 | -17.8 | -179.2 | -61.8 | -180 | 107.4 | -115 | 4.1 | 112.8 | V190 M194 L195 | V190-R192 PolarHBondContact O-N 3.1Å; R192-M194 PolarHBondContact O-N 3.08Å; R192-L195 PolarHBondContact O-N 3.48Å |
| 193 | Q | 60.1 | Low | 50.7 | Low | 181 Ų | 181 | 137.1 Ų | 137.1 | 85% | 0.846 | 77% | 0.765 | S | S | * | * | G | 310 helix | trans | -66 | -16.3 | 178.2 | -71.6 | -177.6 | 30 | 0 | 0 | 114.4 | P191 | P191-Q193 PolarHBondContact O-N 3.11Š|
| 194 | M | 51.5 | Low | 50.4 | Low | 168 Ų | 168 | 135 Ų | 135 | 83% | 0.828 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -86.7 | -3.9 | 177.1 | -67.7 | -149 | 71.7 | 0 | 0 | 114.5 | P191 R192 | P191-M194 PolarHBondContact O-N 3.37Å; P191-M194 VanDerWaalsContact O-N 3.16Å; R192-M194 PolarHBondContact O-N 3.08Å |
| 195 | L | 57.3 | Low | 50 | Low | 136 Ų | 136 | 138.9 Ų | 138.9 | 71% | 0.712 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -113.6 | -2.2 | 179.5 | -74.6 | 92.1 | 0 | 0 | 0 | 114.3 | V190 R192 G197 | V190-L195 HydrophobicContact CG1-CD1 4.14Å; R192-L195 PolarHBondContact O-N 3.48Å; L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.43Å; L195-G197 VanDerWaalsContact O-N 3.15Å |
| 196 | S | 51 | Low | 49.9 | Very low | 117 Ų | 117 | 139.6 Ų | 139.6 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -88.5 | 75.6 | 171.3 | -78.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 197 | G | 51 | Low | 49.5 | Very low | 70 Ų | 70 | 143.9 Ų | 143.9 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | -142.8 | 82.6 | 162.2 | 0 | 0 | 0 | 0 | 0 | 107.2 | L195 | L195-G197 VanDerWaalsContact C-N 3.31Å; L195-G197 PolarHBondContact O-N 3.43Å; L195-G197 VanDerWaalsContact O-N 3.15Å | ||
| 198 | D | 43.9 | Very low | 49.5 | Very low | 161 Ų | 161 | 138 Ų | 138 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | S | Bend | trans | 169.7 | 142.1 | 134.4 | -162.7 | 21.5 | 0 | 0 | 0 | 111.5 | ||
| 199 | A | 39.8 | Very low | 48.8 | Very low | 87 Ų | 87 | 138.9 Ų | 138.9 | 72% | 0.719 | 78% | 0.782 | S | S | * | * | trans | 66.3 | 98.5 | 164.1 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 200 | A | 38.3 | Very low | 48.8 | Very low | 104 Ų | 104 | 136.4 Ų | 136.4 | 86% | 0.86 | 79% | 0.789 | S | S | * | * | 173.8 | 130.3 | 108.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | |||||
| 201 | E | 50.3 | Low | 48.2 | Very low | 199 Ų | 199 | 137.4 Ų | 137.4 | 93% | 0.93 | 79% | 0.791 | S | S | * | * | trans | -67.6 | 135.3 | 177.7 | -48 | -167.3 | 163.9 | 0 | 0 | 110.7 | ||||
| 202 | E | 47.5 | Very low | 47.5 | Very low | 192 Ų | 192 | 144.2 Ų | 144.2 | 90% | 0.897 | 81% | 0.807 | S | S | * | * | trans | -148.4 | 129.9 | 146.6 | -155.6 | -168.9 | -168.6 | 0 | 0 | 109.3 | ||||
| 203 | E | 47.1 | Very low | 46.7 | Very low | 176 Ų | 176 | 137.1 Ų | 137.1 | 82% | 0.822 | 80% | 0.802 | S | S | * | * | trans | -61.7 | 146.1 | 175.2 | -57.8 | -159.3 | 151.3 | 0 | 0 | 111.7 | ||||
| 204 | G | 44 | Very low | 45.9 | Very low | 69 Ų | 69 | 135.3 Ų | 135.3 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -162.7 | 61.6 | -178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | S206 | G204-S206 PolarHBondContact O-N 3.21Š| ||
| 205 | E | 42.6 | Very low | 45.7 | Very low | 183 Ų | 183 | 134.2 Ų | 134.2 | 86% | 0.855 | 80% | 0.796 | S | S | * | * | trans | -35.3 | 118 | 151.8 | 28.5 | 163.9 | 139.7 | 0 | 0 | 111.8 | ||||
| 206 | S | 43.5 | Very low | 45.3 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | -154.1 | 92.5 | 160.7 | -177.7 | 0 | 0 | 0 | 0 | 109 | G204 | G204-S206 PolarHBondContact O-N 3.21Š| ||
| 207 | D | 43.3 | Very low | 45.2 | Very low | 172 Ų | 172 | 140 Ų | 140 | 92% | 0.92 | 80% | 0.801 | S | S | * | * | trans | -60 | 134.1 | 161.4 | -70.6 | -50.2 | 0 | 0 | 0 | 109.9 | ||||
| 208 | G | 45 | Very low | 44.8 | Very low | 72 Ų | 72 | 140.1 Ų | 140.1 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | -155.7 | 77 | -178.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 209 | D | 42.1 | Very low | 45 | Very low | 158 Ų | 158 | 142.4 Ų | 142.4 | 85% | 0.845 | 81% | 0.808 | S | S | * | * | trans | -63.8 | 134.2 | 168.1 | 179.9 | 38.5 | 0 | 0 | 0 | 111.9 | ||||
| 210 | S | 48.4 | Very low | 45.4 | Very low | 107 Ų | 107 | 141.5 Ų | 141.5 | 75% | 0.748 | 81% | 0.807 | S | S | * | * | trans | 176.5 | 98.6 | 159 | 25.4 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 211 | D | 49.2 | Very low | 45.7 | Very low | 117 Ų | 117 | 145.3 Ų | 145.3 | 63% | 0.626 | 81% | 0.807 | S | S | * | * | 63.4 | 117.4 | 72.7 | -159 | 34.8 | 0 | 0 | 0 | 114.5 | |||||
| 212 | R | 43.2 | Very low | 45.5 | Very low | 224 Ų | 224 | 145.1 Ų | 145.1 | 85% | 0.845 | 81% | 0.806 | S | S | * | * | trans | 86.2 | 133.1 | 156.4 | -74.9 | 161.9 | -158.8 | -152.6 | 2.5 | 123.5 | ||||
| 213 | G | 40.7 | Very low | 45.6 | Very low | 71 Ų | 71 | 139.9 Ų | 139.9 | 73% | 0.732 | 80% | 0.796 | S | S | * | * | trans | 111.4 | 89.9 | 142.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 214 | D | 45 | Very low | 46 | Very low | 143 Ų | 143 | 138.4 Ų | 138.4 | 77% | 0.765 | 79% | 0.794 | S | S | * | * | 51.1 | 104.8 | 80.9 | -166.3 | 36.6 | 0 | 0 | 0 | 113.3 | |||||
| 215 | D | 45.5 | Very low | 46.5 | Very low | 145 Ų | 145 | 142.4 Ų | 142.4 | 78% | 0.775 | 80% | 0.798 | S | S | * | * | trans | -163.7 | 77 | 146.5 | -91.6 | -43.5 | 0 | 0 | 0 | 107.6 | R217 | D215-R217 PolarHBondContact O-N 2.96Š| ||
| 216 | D | 50.4 | Low | 47.6 | Very low | 147 Ų | 147 | 138.8 Ų | 138.8 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -63.7 | 101.3 | 150.4 | 171 | 57.9 | 0 | 0 | 0 | 108.9 | ||||
| 217 | R | 48.5 | Very low | 48.3 | Very low | 228 Ų | 228 | 139.9 Ų | 139.9 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -152.5 | 113.4 | 163.7 | -70.2 | -163.7 | -179.3 | -165.7 | -1.2 | 113 | D215 | D215-R217 PolarHBondContact O-N 2.96Š| ||
| 218 | G | 42.8 | Very low | 49.5 | Very low | 73 Ų | 73 | 138.6 Ų | 138.6 | 75% | 0.753 | 78% | 0.777 | S | S | * | * | trans | 112.1 | 80.6 | 137 | 0 | 0 | 0 | 0 | 0 | 116 | G220 | G218-G220 PolarHBondContact O-N 3.18Š| ||
| 219 | E | 47.2 | Very low | 50.5 | Low | 208 Ų | 208 | 141.6 Ų | 141.6 | 97% | 0.972 | 77% | 0.774 | S | S | * | * | trans | -50.3 | 126.2 | 147.8 | -63.5 | -177.9 | 160.1 | 0 | 0 | 109.5 | ||||
| 220 | G | 48.1 | Very low | 51.5 | Low | 68 Ų | 68 | 139.4 Ų | 139.4 | 70% | 0.701 | 77% | 0.768 | S | S | * | * | trans | -145.5 | 92 | 178.8 | 0 | 0 | 0 | 0 | 0 | 109.3 | G218 | G218-G220 PolarHBondContact O-N 3.18Š| ||
| 221 | E | 45.9 | Very low | 51.9 | Low | 185 Ų | 185 | 141.8 Ų | 141.8 | 86% | 0.864 | 77% | 0.773 | S | S | * | * | trans | 31 | 102.6 | 160.6 | 69.6 | -170 | -143.3 | 0 | 0 | 118 | A223 | E221-A223 PolarHBondContact O-N 2.82Å; E221-A223 VanDerWaalsContact O-N 3.09Å | ||
| 222 | E | 44.6 | Very low | 52.4 | Low | 195 Ų | 195 | 148.8 Ų | 148.8 | 91% | 0.911 | 80% | 0.802 | S | S | * | * | trans | -64 | 100.6 | 152.1 | 53.8 | -151.6 | 156.5 | 0 | 0 | 109.4 | D224 | E222-D224 PolarHBondContact O-N 2.83Å; E222-D224 VanDerWaalsContact O-N 3.07Å | ||
| 223 | A | 50.5 | Low | 52.9 | Low | 81 Ų | 81 | 145 Ų | 145 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -65.8 | 106.6 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.6 | E221 L225 | E221-A223 PolarHBondContact O-N 2.82Å; E221-A223 VanDerWaalsContact O-N 3.09Å; A223-L225 PolarHBondContact O-N 3.21Å | ||
| 224 | D | 55.9 | Low | 53.5 | Low | 146 Ų | 146 | 148.9 Ų | 148.9 | 78% | 0.781 | 80% | 0.803 | S | S | * | * | trans | -53.5 | 99.9 | 173.3 | -157.6 | 14.6 | 0 | 0 | 0 | 109.6 | E222 V226 | E222-D224 PolarHBondContact O-N 2.83Å; E222-D224 VanDerWaalsContact O-N 3.07Å; D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3Å | ||
| 225 | L | 55 | Low | 54 | Low | 152 Ų | 152 | 149.2 Ų | 149.2 | 80% | 0.796 | 81% | 0.805 | S | S | * | * | trans | -77.1 | 84.7 | 175.4 | -71.4 | 174.5 | 0 | 0 | 0 | 108.3 | A223 I227 | A223-L225 PolarHBondContact O-N 3.21Å; L225-I227 PolarHBondContact O-N 3.23Å | ||
| 226 | V | 64.8 | Low | 54.5 | Low | 107 Ų | 107 | 149.5 Ų | 149.5 | 65% | 0.648 | 81% | 0.807 | S | S | * | * | trans | -64.6 | 103.4 | 168.2 | -179.4 | 0 | 0 | 0 | 0 | 108.1 | D224 D228 | D224-V226 VanDerWaalsContact C-N 3.29Å; D224-V226 PolarHBondContact O-N 3Å; V226-D228 PolarHBondContact O-N 3.02Å | ||
| 227 | I | 58.9 | Low | 54.7 | Low | 138 Ų | 138 | 149.6 Ų | 149.6 | 71% | 0.708 | 81% | 0.808 | S | S | * | * | trans | -85.3 | 103.3 | 171.4 | -59.4 | 171.5 | 0 | 0 | 0 | 107 | L225 I229 | L225-I227 PolarHBondContact O-N 3.23Å; I227-I229 HydrophobicContact CG2-CG1 4.15Å; I227-I229 PolarHBondContact O-N 3.32Å | ||
| 228 | D | 68 | Low | 55.2 | Low | 146 Ų | 146 | 144.4 Ų | 144.4 | 78% | 0.781 | 81% | 0.805 | S | S | * | * | trans | -69.1 | 108.9 | 166.7 | -86.2 | -32.8 | 0 | 0 | 0 | 109.1 | V226 P230 | V226-D228 PolarHBondContact O-N 3.02Å; D228-P230 WeakPolarHBondContact O-CD 3.35Å | ||
| 229 | I | 66.2 | Low | 56 | Low | 134 Ų | 134 | 149.5 Ų | 149.5 | 69% | 0.687 | 81% | 0.809 | S | S | * | * | trans | -90.7 | 114.6 | 168.6 | -59.3 | 174.3 | 0 | 0 | 0 | 107.2 | I227 N231 | I227-I229 HydrophobicContact CG2-CG1 4.15Å; I227-I229 PolarHBondContact O-N 3.32Å; I229-N231 PolarHBondContact O-N 3.03Å | ||
| 230 | P | 61.9 | Low | 56.7 | Low | 112 Ų | 112 | 145 Ų | 145 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | -71.4 | 127 | 169.5 | 28.3 | -30.8 | 0 | 0 | 0 | 109.4 | D228 E232 | D228-P230 WeakPolarHBondContact O-CD 3.35Å; P230-E232 PolarHBondContact O-N 3.49Å | ||
| 231 | N | 58.1 | Low | 57.4 | Low | 158 Ų | 158 | 151.4 Ų | 151.4 | 85% | 0.845 | 80% | 0.804 | S | S | * | * | trans | -75.5 | 118.4 | 165.7 | -86.8 | 12.4 | 0 | 0 | 0 | 108.8 | I229 | I229-N231 PolarHBondContact O-N 3.03Š| ||
| 232 | E | 59.4 | Low | 58.5 | Low | 263 Ų | 263 | 148.4 Ų | 148.4 | 100% | 1.229 | 80% | 0.798 | S | S | * | * | trans | -116.2 | 0 | 152.2 | -69.4 | -165.9 | -178.5 | 0 | 0 | 109.4 | P230 | P230-E232 PolarHBondContact O-N 3.49Š|
Retrieved 232 of 232 residues in 118.3 ms
(Link to these results)