| 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 | 50.7 | Low | 65 | Low | 246 Ų | 246 | 109 Ų | 109 | 100% | 1.212 | 65% | 0.652 | S | S | * | * | 0 | 98.1 | 0 | -71.8 | 153.1 | 90.8 | 0 | 0 | 108.4 | |||||
| 2 | A | 51.2 | Low | 66.9 | Low | 94 Ų | 94 | 108.2 Ų | 108.2 | 78% | 0.777 | 64% | 0.642 | S | S | * | * | trans | -173.1 | 71.2 | 167.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 3 | S | 55.4 | Low | 68.5 | Low | 117 Ų | 117 | 106.4 Ų | 106.4 | 82% | 0.818 | 63% | 0.632 | S | S | * | * | trans | -122.9 | 10.2 | 170.4 | -66.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 4 | G | 59.9 | Low | 70 | Confident | 52 Ų | 52 | 105.9 Ų | 105.9 | 54% | 0.536 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -88.2 | -13.3 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||
| 5 | S | 61 | Low | 71.5 | Confident | 77 Ų | 77 | 104.1 Ų | 104.1 | 54% | 0.538 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -83.6 | -33.8 | -169.4 | 47 | 0 | 0 | 0 | 0 | 114.6 | S9 | S5-S9 PolarHBondContact O-N 2.98Å |
| 6 | N | 64.3 | Low | 72.7 | Confident | 133 Ų | 133 | 104.1 Ų | 104.1 | 71% | 0.711 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -75.7 | -31.6 | -175.5 | -62.4 | -29.5 | 0 | 0 | 0 | 113 | S9 G10 | N6-S9 PolarHBondContact O-N 3.15Å; N6-G10 PolarHBondContact O-N 3.34Å; N6-G10 VanDerWaalsContact O-N 3.16Å |
| 7 | W | 63.9 | Low | 73.9 | Confident | 203 Ų | 203 | 105.9 Ų | 105.9 | 77% | 0.769 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66 | -44.1 | 176.9 | 179.7 | -95.9 | 0 | 0 | 0 | 112 | S9 G10 V11 | W7-S9 VanDerWaalsContact C-N 3.32Å; W7-S9 PolarHBondContact O-N 2.94Å; W7-G10 PolarHBondContact O-N 2.97Å; W7-V11 WeakPolarHBondContact O-CG2 3.2Å; W7-V11 PolarHBondContact O-N 2.86Å |
| 8 | L | 66.3 | Low | 75 | Confident | 108 Ų | 108 | 102.8 Ų | 102.8 | 57% | 0.565 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -66 | -34.8 | 178 | -64.4 | 172.2 | 0 | 0 | 0 | 111.9 | N12 | L8-N12 WeakPolarHBondContact O-CB 3.38Å; L8-N12 VanDerWaalsContact O-CG 3.23Å; L8-N12 PolarHBondContact O-N 3.36Å |
| 9 | S | 75.6 | Confident | 76.1 | Confident | 72 Ų | 72 | 105.2 Ų | 105.2 | 50% | 0.503 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.9 | -44.8 | 174.8 | -175.6 | 0 | 0 | 0 | 0 | 111.9 | S5 N6 W7 N12 V13 | S5-S9 PolarHBondContact O-N 2.98Å; N6-S9 PolarHBondContact O-N 3.15Å; W7-S9 VanDerWaalsContact C-N 3.32Å; W7-S9 PolarHBondContact O-N 2.94Å; S9-N12 PolarHBondContact O-N 3.05Å; S9-V13 WeakPolarHBondContact O-CG2 3.41Å; S9-V13 PolarHBondContact O-N 2.95Å |
| 10 | G | 80.1 | Confident | 77.1 | Confident | 37 Ų | 37 | 102.1 Ų | 102.1 | 38% | 0.381 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -62.3 | -43.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | N6 W7 N12 V13 V14 | N6-G10 PolarHBondContact O-N 3.34Å; N6-G10 VanDerWaalsContact O-N 3.16Å; W7-G10 PolarHBondContact O-N 2.97Å; G10-N12 PolarHBondContact O-N 3.3Å; G10-V13 PolarHBondContact O-N 3.47Å; G10-V14 WeakPolarHBondContact O-CG2 3.18Å; G10-V14 PolarHBondContact O-N 3.47Å |
| 11 | V | 86.8 | Confident | 77.9 | Confident | 60 Ų | 60 | 100.4 Ų | 100.4 | 36% | 0.364 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -61.9 | -42.4 | 176.4 | 172.6 | 0 | 0 | 0 | 0 | 111.4 | W7 V13 V14 L15 | W7-V11 WeakPolarHBondContact O-CG2 3.2Å; W7-V11 PolarHBondContact O-N 2.86Å; V11-V13 PolarHBondContact O-N 2.98Å; V11-V14 PolarHBondContact O-N 3.49Å; V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 HydrophobicContact CG1-CG 4.43Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 2.81Å |
| 12 | N | 87 | Confident | 80 | Confident | 99 Ų | 99 | 93 Ų | 93 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.2 | -39.6 | 177.3 | -74.1 | -8.3 | 0 | 0 | 0 | 112.3 | L8 S9 G10 L15 V16 | L8-N12 WeakPolarHBondContact O-CB 3.38Å; L8-N12 VanDerWaalsContact O-CG 3.23Å; L8-N12 PolarHBondContact O-N 3.36Å; S9-N12 PolarHBondContact O-N 3.05Å; G10-N12 PolarHBondContact O-N 3.3Å; N12-L15 PolarHBondContact O-N 3.48Å; N12-V16 VanDerWaalsContact O-CG2 3.28Å; N12-V16 WeakPolarHBondContact O-CG2 3.45Å; N12-V16 PolarHBondContact O-N 3.3Å |
| 13 | V | 88.3 | Confident | 82.1 | Confident | 85 Ų | 85 | 92.6 Ų | 92.6 | 52% | 0.515 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.2 | 172.6 | 0 | 0 | 0 | 0 | 111.1 | S9 G10 V11 V16 M17 | S9-V13 WeakPolarHBondContact O-CG2 3.41Å; S9-V13 PolarHBondContact O-N 2.95Å; G10-V13 PolarHBondContact O-N 3.47Å; V11-V13 PolarHBondContact O-N 2.98Å; V13-V16 PolarHBondContact O-N 3.14Å; V13-M17 WeakPolarHBondContact O-CG 3.44Å; V13-M17 PolarHBondContact O-N 3.48Å |
| 14 | V | 89.9 | Confident | 83.9 | Confident | 100 Ų | 100 | 94 Ų | 94 | 61% | 0.606 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 177.1 | 174.6 | 0 | 0 | 0 | 0 | 111.1 | G10 V11 M17 A18 | G10-V14 WeakPolarHBondContact O-CG2 3.18Å; G10-V14 PolarHBondContact O-N 3.47Å; V11-V14 PolarHBondContact O-N 3.49Å; V14-M17 PolarHBondContact O-N 3.41Å; V14-A18 VanDerWaalsContact O-CB 3.27Å; V14-A18 WeakPolarHBondContact O-CB 3.43Å; V14-A18 PolarHBondContact O-N 3.44Å |
| 15 | L | 91.5 | Very high | 85.6 | Confident | 78 Ų | 78 | 95.1 Ų | 95.1 | 41% | 0.408 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.9 | -46.3 | 175.9 | -73 | 167.4 | 0 | 0 | 0 | 111.2 | V11 N12 M17 A18 Y19 | V11-L15 HydrophobicContact CG1-CD1 3.97Å; V11-L15 HydrophobicContact CG1-CG 4.43Å; V11-L15 WeakPolarHBondContact O-CG 3.17Å; V11-L15 PolarHBondContact O-N 2.81Å; N12-L15 PolarHBondContact O-N 3.48Å; L15-M17 VanDerWaalsContact C-N 3.32Å; L15-M17 PolarHBondContact O-N 2.93Å; L15-A18 PolarHBondContact O-N 3.26Å; L15-Y19 HydrophobicContact CB-CD2 4.34Å; L15-Y19 HydrophobicContact CD2-CD2 4.45Å; L15-Y19 HydrophobicContact CD2-CE2 3.88Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 WeakPolarHBondContact O-CD2 3.22Å; L15-Y19 PolarHBondContact O-N 3.29Å |
| 16 | V | 91.8 | Very high | 87.1 | Confident | 105 Ų | 105 | 95.3 Ų | 95.3 | 64% | 0.636 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -61.7 | -40.6 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.3 | N12 V13 G20 | N12-V16 VanDerWaalsContact O-CG2 3.28Å; N12-V16 WeakPolarHBondContact O-CG2 3.45Å; N12-V16 PolarHBondContact O-N 3.3Å; V13-V16 PolarHBondContact O-N 3.14Å; V16-G20 WeakPolarHBondContact O-CA 3.28Å; V16-G20 PolarHBondContact O-N 2.83Å |
| 17 | M | 93.2 | Very high | 88.4 | Confident | 134 Ų | 134 | 93.8 Ų | 93.8 | 66% | 0.66 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -69.2 | -40.9 | 176.5 | -73.8 | -64.9 | -179.5 | 0 | 0 | 112.7 | V13 V14 L15 S21 | V13-M17 WeakPolarHBondContact O-CG 3.44Å; V13-M17 PolarHBondContact O-N 3.48Å; V14-M17 PolarHBondContact O-N 3.41Å; L15-M17 VanDerWaalsContact C-N 3.32Å; L15-M17 PolarHBondContact O-N 2.93Å; M17-S21 VanDerWaalsContact O-CB 3.29Å; M17-S21 WeakPolarHBondContact O-CB 3.08Å; M17-S21 PolarHBondContact O-N 3.45Å; M17-S21 PolarHBondContact O-OG 3.36Å |
| 18 | A | 93.9 | Very high | 89.7 | Confident | 51 Ų | 51 | 90.3 Ų | 90.3 | 42% | 0.421 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -48.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | V14 L15 S21 L22 | V14-A18 VanDerWaalsContact O-CB 3.27Å; V14-A18 WeakPolarHBondContact O-CB 3.43Å; V14-A18 PolarHBondContact O-N 3.44Å; L15-A18 PolarHBondContact O-N 3.26Å; A18-S21 PolarHBondContact O-OG 3.45Å; A18-L22 VanDerWaalsContact O-CB 3.22Å; A18-L22 WeakPolarHBondContact O-CB 3.46Å; A18-L22 PolarHBondContact O-N 3.15Å |
| 19 | Y | 95.5 | Very high | 90.8 | Very high | 148 Ų | 148 | 89.3 Ų | 89.3 | 58% | 0.58 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -69.2 | -39.2 | 177.3 | -77.2 | -70.9 | 0 | 0 | 0 | 112.1 | L15 L22 V23 | L15-Y19 HydrophobicContact CB-CD2 4.34Å; L15-Y19 HydrophobicContact CD2-CD2 4.45Å; L15-Y19 HydrophobicContact CD2-CE2 3.88Å; L15-Y19 WeakPolarHBondContact O-CB 3.41Å; L15-Y19 WeakPolarHBondContact O-CD2 3.22Å; L15-Y19 PolarHBondContact O-N 3.29Å; Y19-L22 HydrophobicContact CD1-CD2 4.46Å; Y19-L22 PolarHBondContact O-N 2.74Å; Y19-V23 VanDerWaalsContact O-CG2 3.31Å; Y19-V23 WeakPolarHBondContact O-CG2 3.22Å; Y19-V23 PolarHBondContact O-N 3.5Å |
| 20 | G | 94.9 | Very high | 91.3 | Very high | 43 Ų | 43 | 91.3 Ų | 91.3 | 44% | 0.443 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.3 | -45.9 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | V16 F24 | V16-G20 WeakPolarHBondContact O-CA 3.28Å; V16-G20 PolarHBondContact O-N 2.83Å; G20-F24 WeakPolarHBondContact O-CB 3.44Å; G20-F24 PolarHBondContact O-N 3.15Å |
| 21 | S | 94.7 | Very high | 91.6 | Very high | 66 Ų | 66 | 93.5 Ų | 93.5 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 174.8 | 60 | 0 | 0 | 0 | 0 | 112.4 | M17 A18 F24 V25 | M17-S21 VanDerWaalsContact O-CB 3.29Å; M17-S21 WeakPolarHBondContact O-CB 3.08Å; M17-S21 PolarHBondContact O-N 3.45Å; M17-S21 PolarHBondContact O-OG 3.36Å; A18-S21 PolarHBondContact O-OG 3.45Å; S21-F24 PolarHBondContact O-N 2.69Å; S21-V25 WeakPolarHBondContact O-CB 3.46Å; S21-V25 VanDerWaalsContact O-CG2 3.27Å; S21-V25 WeakPolarHBondContact O-CG2 3.5Å; S21-V25 PolarHBondContact O-N 3.11Å |
| 22 | L | 94.9 | Very high | 91.5 | Very high | 92 Ų | 92 | 97.2 Ų | 97.2 | 48% | 0.482 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 175.4 | -176.2 | 68.2 | 0 | 0 | 0 | 111.7 | A18 Y19 F24 V25 L26 | A18-L22 VanDerWaalsContact O-CB 3.22Å; A18-L22 WeakPolarHBondContact O-CB 3.46Å; A18-L22 PolarHBondContact O-N 3.15Å; Y19-L22 HydrophobicContact CD1-CD2 4.46Å; Y19-L22 PolarHBondContact O-N 2.74Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.16Å; L22-V25 PolarHBondContact O-N 3.43Å; L22-L26 HydrophobicContact CG-CD1 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.45Å |
| 23 | V | 94.9 | Very high | 91.3 | Very high | 84 Ų | 84 | 98.6 Ų | 98.6 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -41.9 | 176.7 | 172.7 | 0 | 0 | 0 | 0 | 110.7 | Y19 L26 L27 | Y19-V23 VanDerWaalsContact O-CG2 3.31Å; Y19-V23 WeakPolarHBondContact O-CG2 3.22Å; Y19-V23 PolarHBondContact O-N 3.5Å; V23-L26 PolarHBondContact O-N 3.06Å; V23-L27 HydrophobicContact CG1-CD1 4.14Å; V23-L27 WeakPolarHBondContact O-CB 3.44Å; V23-L27 WeakPolarHBondContact O-CG 3.17Å; V23-L27 PolarHBondContact O-N 3.47Å |
| 24 | F | 94.4 | Very high | 90.9 | Very high | 146 Ų | 146 | 101.3 Ų | 101.3 | 64% | 0.64 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.6 | -43.4 | 177.4 | -170.9 | -98.5 | 0 | 0 | 0 | 112.4 | G20 S21 L22 L27 F28 | G20-F24 WeakPolarHBondContact O-CB 3.44Å; G20-F24 PolarHBondContact O-N 3.15Å; S21-F24 PolarHBondContact O-N 2.69Å; L22-F24 VanDerWaalsContact C-N 3.33Å; L22-F24 PolarHBondContact O-N 3.16Å; F24-L27 PolarHBondContact O-N 3.34Å; F24-F28 WeakPolarHBondContact O-CB 3.49Å; F24-F28 PolarHBondContact O-N 3.39Å |
| 25 | V | 94 | Very high | 90.2 | Very high | 77 Ų | 77 | 101.7 Ų | 101.7 | 47% | 0.467 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63 | -43.3 | 175.1 | 169.5 | 0 | 0 | 0 | 0 | 110.8 | S21 L22 F28 I29 | S21-V25 WeakPolarHBondContact O-CB 3.46Å; S21-V25 VanDerWaalsContact O-CG2 3.27Å; S21-V25 WeakPolarHBondContact O-CG2 3.5Å; S21-V25 PolarHBondContact O-N 3.11Å; L22-V25 PolarHBondContact O-N 3.43Å; V25-F28 PolarHBondContact O-N 2.89Å; V25-I29 HydrophobicContact CG1-CD1 3.89Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 2.93Å |
| 26 | L | 92.4 | Very high | 89.2 | Confident | 81 Ų | 81 | 102.5 Ų | 102.5 | 42% | 0.424 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -47.3 | 176 | -72.5 | 173.2 | 0 | 0 | 0 | 111.2 | L22 V23 F28 I29 F30 | L22-L26 HydrophobicContact CG-CD1 4.3Å; L22-L26 WeakPolarHBondContact O-CB 3.41Å; L22-L26 VanDerWaalsContact O-CG 3.27Å; L22-L26 WeakPolarHBondContact O-CG 3.38Å; L22-L26 PolarHBondContact O-N 3.45Å; V23-L26 PolarHBondContact O-N 3.06Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 3.21Å; L26-I29 PolarHBondContact O-N 2.86Å; L26-F30 HydrophobicContact CB-CE2 4.43Å; L26-F30 WeakPolarHBondContact O-CD2 3.39Å; L26-F30 PolarHBondContact O-N 3.46Å |
| 27 | L | 92.7 | Very high | 88 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58 | -43.3 | 175.1 | -78.5 | 171.7 | 0 | 0 | 0 | 111.8 | V23 F24 I29 F30 V31 | V23-L27 HydrophobicContact CG1-CD1 4.14Å; V23-L27 WeakPolarHBondContact O-CB 3.44Å; V23-L27 WeakPolarHBondContact O-CG 3.17Å; V23-L27 PolarHBondContact O-N 3.47Å; F24-L27 PolarHBondContact O-N 3.34Å; L27-I29 PolarHBondContact O-N 3.3Å; L27-F30 PolarHBondContact O-N 3.29Å; L27-V31 WeakPolarHBondContact O-CG2 3.49Å; L27-V31 PolarHBondContact O-N 2.93Å |
| 28 | F | 90.5 | Very high | 86.5 | Confident | 131 Ų | 131 | 107 Ų | 107 | 58% | 0.575 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.4 | -41.6 | 177.1 | -172.9 | -100.1 | 0 | 0 | 0 | 112.1 | F24 V25 L26 F30 V31 K32 | F24-F28 WeakPolarHBondContact O-CB 3.49Å; F24-F28 PolarHBondContact O-N 3.39Å; V25-F28 PolarHBondContact O-N 2.89Å; L26-F28 VanDerWaalsContact C-N 3.32Å; L26-F28 PolarHBondContact O-N 3.21Å; F28-F30 VanDerWaalsContact C-N 3.34Å; F28-V31 PolarHBondContact O-N 2.86Å; F28-K32 HydrophobicContact CE1-CD 4.46Å; F28-K32 WeakPolarHBondContact O-CB 3.39Å; F28-K32 PolarHBondContact O-N 3.4Å |
| 29 | I | 89.1 | Confident | 84.7 | Confident | 86 Ų | 86 | 106.5 Ų | 106.5 | 44% | 0.441 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.5 | -41 | 173.3 | -67.2 | 165.6 | 0 | 0 | 0 | 110.3 | V25 L26 L27 R33 | V25-I29 HydrophobicContact CG1-CD1 3.89Å; V25-I29 VanDerWaalsContact O-CG1 3.29Å; V25-I29 WeakPolarHBondContact O-CG1 3.4Å; V25-I29 PolarHBondContact O-N 2.93Å; L26-I29 PolarHBondContact O-N 2.86Å; L27-I29 PolarHBondContact O-N 3.3Å; I29-R33 WeakPolarHBondContact O-CA 3.41Å; I29-R33 WeakPolarHBondContact O-CB 3.39Å; I29-R33 PolarHBondContact O-N 2.93Å |
| 30 | F | 87 | Confident | 82.9 | Confident | 114 Ų | 114 | 105.4 Ų | 105.4 | 50% | 0.5 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 176.8 | -81 | -67.5 | 0 | 0 | 0 | 111.6 | L26 L27 F28 R33 Q34 | L26-F30 HydrophobicContact CB-CE2 4.43Å; L26-F30 WeakPolarHBondContact O-CD2 3.39Å; L26-F30 PolarHBondContact O-N 3.46Å; L27-F30 PolarHBondContact O-N 3.29Å; F28-F30 VanDerWaalsContact C-N 3.34Å; F30-R33 CarbonylContact O-C 3.57Å; F30-R33 PolarHBondContact O-N 3.05Å; F30-Q34 WeakPolarHBondContact O-CB 3.39Å; F30-Q34 VanDerWaalsContact O-CG 3.27Å; F30-Q34 WeakPolarHBondContact O-CG 3.42Å; F30-Q34 PolarHBondContact O-N 3.47Å |
| 31 | V | 86.1 | Confident | 81.2 | Confident | 83 Ų | 83 | 112.3 Ų | 112.3 | 50% | 0.503 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -61.7 | -49.4 | 176.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | L27 F28 R33 Q34 I35 | L27-V31 WeakPolarHBondContact O-CG2 3.49Å; L27-V31 PolarHBondContact O-N 2.93Å; F28-V31 PolarHBondContact O-N 2.86Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 2.75Å; V31-Q34 PolarHBondContact O-N 2.69Å; V31-I35 HydrophobicContact CG1-CD1 3.7Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 3.25Å |
| 32 | K | 85.5 | Confident | 79.1 | Confident | 138 Ų | 138 | 112.8 Ų | 112.8 | 60% | 0.6 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 175.6 | -176 | 178.6 | 178.1 | 178.2 | 0 | 111.6 | F28 M36 | F28-K32 HydrophobicContact CE1-CD 4.46Å; F28-K32 WeakPolarHBondContact O-CB 3.39Å; F28-K32 PolarHBondContact O-N 3.4Å; K32-M36 WeakPolarHBondContact O-CB 3.41Å; K32-M36 PolarHBondContact O-N 3.4Å |
| 33 | R | 82.6 | Confident | 77.2 | Confident | 129 Ų | 129 | 118.4 Ų | 118.4 | 49% | 0.487 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -73 | -33.4 | 178.9 | -172.2 | 171.6 | -174.9 | -175.1 | 0.4 | 112 | I29 F30 V31 R37 | I29-R33 WeakPolarHBondContact O-CA 3.41Å; I29-R33 WeakPolarHBondContact O-CB 3.39Å; I29-R33 PolarHBondContact O-N 2.93Å; F30-R33 CarbonylContact O-C 3.57Å; F30-R33 PolarHBondContact O-N 3.05Å; V31-R33 VanDerWaalsContact C-N 3.28Å; V31-R33 PolarHBondContact O-N 2.75Å; R33-R37 WeakPolarHBondContact O-CB 3.49Å; R33-R37 WeakPolarHBondContact O-CG 3.41Å; R33-R37 PolarHBondContact O-N 3.3Å |
| 34 | Q | 79 | Confident | 75.3 | Confident | 142 Ų | 142 | 122.7 Ų | 122.7 | 66% | 0.664 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -70.2 | -45.4 | 173.8 | -74.8 | -152.7 | 8.6 | 0 | 0 | 111.2 | F30 V31 M36 R37 F38 | F30-Q34 WeakPolarHBondContact O-CB 3.39Å; F30-Q34 VanDerWaalsContact O-CG 3.27Å; F30-Q34 WeakPolarHBondContact O-CG 3.42Å; F30-Q34 PolarHBondContact O-N 3.47Å; V31-Q34 PolarHBondContact O-N 2.69Å; Q34-M36 VanDerWaalsContact C-N 3.34Å; Q34-M36 PolarHBondContact O-N 2.82Å; Q34-R37 PolarHBondContact O-N 3.01Å; Q34-F38 WeakPolarHBondContact O-CB 3.49Å; Q34-F38 PolarHBondContact O-N 3.47Å |
| 35 | I | 75.9 | Confident | 73.7 | Confident | 107 Ų | 107 | 117.4 Ų | 117.4 | 55% | 0.549 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.7 | -42.1 | 173.4 | -64.2 | 166.2 | 0 | 0 | 0 | 110.3 | V31 F38 A39 | V31-I35 HydrophobicContact CG1-CD1 3.7Å; V31-I35 HydrophobicContact CG1-CG1 4.42Å; V31-I35 VanDerWaalsContact O-CG1 3.29Å; V31-I35 WeakPolarHBondContact O-CG1 3.43Å; V31-I35 PolarHBondContact O-N 3.25Å; I35-F38 PolarHBondContact O-N 3.1Å; I35-A39 VanDerWaalsContact O-CB 3.29Å; I35-A39 WeakPolarHBondContact O-CB 3.33Å; I35-A39 PolarHBondContact O-N 3.21Å |
| 36 | M | 69.8 | Low | 72 | Confident | 95 Ų | 95 | 120.9 Ų | 120.9 | 47% | 0.468 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -62 | -45.9 | 175.9 | -173.9 | 178.5 | 76.4 | 0 | 0 | 111.3 | K32 Q34 F38 A39 M40 | K32-M36 WeakPolarHBondContact O-CB 3.41Å; K32-M36 PolarHBondContact O-N 3.4Å; Q34-M36 VanDerWaalsContact C-N 3.34Å; Q34-M36 PolarHBondContact O-N 2.82Å; M36-F38 VanDerWaalsContact C-N 3.27Å; M36-F38 PolarHBondContact O-N 3.48Å; M36-A39 PolarHBondContact O-N 3.23Å; M36-M40 HydrophobicContact CG-CE 4.09Å; M36-M40 HydrophobicContact CG-CG 4.03Å; M36-M40 WeakPolarHBondContact O-CB 3.46Å; M36-M40 WeakPolarHBondContact O-CG 3.29Å; M36-M40 PolarHBondContact O-N 3.07Å; M36-M40 HydrophobicContact SD-CE 4.32Å |
| 37 | R | 67.6 | Low | 70.4 | Confident | 163 Ų | 163 | 125.3 Ų | 125.3 | 62% | 0.615 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -60.8 | -36.9 | 174.7 | -80.2 | -176.4 | -170.3 | -111.6 | 7.8 | 112 | R33 Q34 K41 | R33-R37 WeakPolarHBondContact O-CB 3.49Å; R33-R37 WeakPolarHBondContact O-CG 3.41Å; R33-R37 PolarHBondContact O-N 3.3Å; Q34-R37 PolarHBondContact O-N 3.01Å; R37-K41 PolarHBondContact O-N 3.31Å |
| 38 | F | 60.3 | Low | 68.9 | Low | 171 Ų | 171 | 123.9 Ų | 123.9 | 75% | 0.75 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -73.4 | -44.7 | 179.6 | -151.5 | -93.2 | 0 | 0 | 0 | 112.1 | Q34 I35 M36 K41 S42 | Q34-F38 WeakPolarHBondContact O-CB 3.49Å; Q34-F38 PolarHBondContact O-N 3.47Å; I35-F38 PolarHBondContact O-N 3.1Å; M36-F38 VanDerWaalsContact C-N 3.27Å; M36-F38 PolarHBondContact O-N 3.48Å; F38-K41 WeakPolarHBondContact O-CB 3.24Å; F38-K41 PolarHBondContact O-N 3.3Å; F38-S42 PolarHBondContact O-N 3.11Å |
| 39 | A | 56.9 | Low | 67.7 | Low | 40 Ų | 40 | 120.4 Ų | 120.4 | 33% | 0.331 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -67.9 | -38.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | I35 M36 K41 S42 R43 | I35-A39 VanDerWaalsContact O-CB 3.29Å; I35-A39 WeakPolarHBondContact O-CB 3.33Å; I35-A39 PolarHBondContact O-N 3.21Å; M36-A39 PolarHBondContact O-N 3.23Å; A39-K41 VanDerWaalsContact C-N 3.31Å; A39-K41 PolarHBondContact O-N 3.24Å; A39-S42 WeakPolarHBondContact CA-OG 3.48Å; A39-S42 PolarHBondContact O-N 2.95Å; A39-S42 PolarHBondContact O-OG 2.82Å; A39-R43 PolarHBondContact O-N 3.49Å |
| 40 | M | 58.5 | Low | 66.5 | Low | 126 Ų | 126 | 120.4 Ų | 120.4 | 62% | 0.621 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -66.8 | -29.7 | 175.5 | -68.7 | -85.1 | -149.9 | 0 | 0 | 112.5 | M36 S42 | M36-M40 HydrophobicContact CG-CE 4.09Å; M36-M40 HydrophobicContact CG-CG 4.03Å; M36-M40 WeakPolarHBondContact O-CB 3.46Å; M36-M40 WeakPolarHBondContact O-CG 3.29Å; M36-M40 PolarHBondContact O-N 3.07Å; M36-M40 HydrophobicContact SD-CE 4.32Å; M40-S42 VanDerWaalsContact C-N 3.26Å |
| 41 | K | 57.8 | Low | 65.5 | Low | 187 Ų | 187 | 116.1 Ų | 116.1 | 81% | 0.813 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -71 | -23.2 | 171.3 | -163.4 | 102.2 | 174 | -171.2 | 0 | 112.2 | R37 F38 A39 | R37-K41 PolarHBondContact O-N 3.31Å; F38-K41 WeakPolarHBondContact O-CB 3.24Å; F38-K41 PolarHBondContact O-N 3.3Å; A39-K41 VanDerWaalsContact C-N 3.31Å; A39-K41 PolarHBondContact O-N 3.24Å |
| 42 | S | 52.1 | Low | 64.5 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 54% | 0.538 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -98.6 | -6 | -173.2 | 76.9 | 0 | 0 | 0 | 0 | 115.5 | F38 A39 M40 R44 | F38-S42 PolarHBondContact O-N 3.11Å; A39-S42 WeakPolarHBondContact CA-OG 3.48Å; A39-S42 PolarHBondContact O-N 2.95Å; A39-S42 PolarHBondContact O-OG 2.82Å; M40-S42 VanDerWaalsContact C-N 3.26Å; S42-R44 PolarHBondContact O-N 3.12Å |
| 43 | R | 54.8 | Low | 63.8 | Low | 209 Ų | 209 | 115.8 Ų | 115.8 | 79% | 0.789 | 58% | 0.575 | S | S | * | * | trans | -72.6 | 79.7 | -180 | -77.2 | -176.2 | -179.5 | -118.5 | 0.5 | 110.6 | A39 G45 | A39-R43 PolarHBondContact O-N 3.49Å; R43-G45 VanDerWaalsContact C-N 3.35Å; R43-G45 PolarHBondContact O-N 3Å; R43-G45 VanDerWaalsContact O-N 3.15Å | ||
| 44 | R | 55 | Low | 63.6 | Low | 175 Ų | 175 | 110.9 Ų | 110.9 | 66% | 0.66 | 56% | 0.562 | S | S | * | * | trans | -69.6 | 93.8 | 157.8 | -79.4 | 177.6 | 161.4 | 139.8 | -5.3 | 107.2 | S42 | S42-R44 PolarHBondContact O-N 3.12Š| ||
| 45 | G | 59.8 | Low | 63.6 | Low | 35 Ų | 35 | 108.4 Ų | 108.4 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | trans | -63.4 | 157.6 | 166.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | R43 H47 | R43-G45 VanDerWaalsContact C-N 3.35Å; R43-G45 PolarHBondContact O-N 3Å; R43-G45 VanDerWaalsContact O-N 3.15Å; G45-H47 CarbonylContact O-C 3.45Å; G45-H47 PolarHBondContact O-N 2.85Å; G45-H47 VanDerWaalsContact O-N 3.09Å | ||
| 46 | P | 58.5 | Low | 63.6 | Low | 149 Ų | 149 | 111.1 Ų | 111.1 | 97% | 0.968 | 57% | 0.566 | S | S | * | * | S | Bend | trans | -55.1 | -28.1 | 177.6 | -22.5 | 31.7 | 0 | 0 | 0 | 113 | ||
| 47 | H | 58.9 | Low | 64 | Low | 175 Ų | 175 | 112.8 Ų | 112.8 | 81% | 0.81 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -95.3 | 97.6 | 167.5 | -123.1 | -83.3 | 0 | 0 | 0 | 109.2 | G45 | G45-H47 CarbonylContact O-C 3.45Å; G45-H47 PolarHBondContact O-N 2.85Å; G45-H47 VanDerWaalsContact O-N 3.09Å |
| 48 | V | 61 | Low | 64.7 | Low | 70 Ų | 70 | 108.9 Ų | 108.9 | 42% | 0.424 | 57% | 0.568 | S | S | . | * | P | Polyproline II helix | trans | -72.2 | 123.6 | 168.5 | 178.5 | 0 | 0 | 0 | 0 | 106.9 | V50 H52 | V48-V50 PolarHBondContact O-N 3.23Å; V48-H52 HydrophobicContact CG1-CB 3.16Å |
| 49 | P | 65.6 | Low | 65.8 | Low | 57 Ų | 57 | 104.3 Ų | 104.3 | 37% | 0.37 | 55% | 0.548 | S | S | . | . | P | Polyproline II helix | trans | -59.8 | 140.8 | 176.3 | 24.6 | -32.4 | 0 | 0 | 0 | 109.3 | G51 H52 | P49-G51 PolarHBondContact O-N 3.03Å; P49-H52 HydrophobicContact CG-CB 4.4Å; P49-H52 WeakPolarHBondContact O-CB 3.27Å; P49-H52 PolarHBondContact O-N 2.74Å |
| 50 | V | 64.7 | Low | 66.9 | Low | 87 Ų | 87 | 108 Ų | 108 | 53% | 0.527 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -54 | 124.9 | 178.3 | -173.3 | 0 | 0 | 0 | 0 | 108 | V48 I62 L66 | V48-V50 PolarHBondContact O-N 3.23Å; V50-I62 HydrophobicContact CB-CG2 4.13Å; V50-I62 HydrophobicContact CG1-CG2 3.83Å; V50-L66 HydrophobicContact CG2-CD2 4.16Å |
| 51 | G | 64.9 | Low | 68 | Low | 23 Ų | 23 | 105.9 Ų | 105.9 | 24% | 0.237 | 55% | 0.547 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 86.5 | 18.7 | -176.8 | 0 | 0 | 0 | 0 | 0 | 116.4 | P49 N53 A54 | P49-G51 PolarHBondContact O-N 3.03Å; G51-N53 PolarHBondContact O-N 2.88Å; G51-N53 VanDerWaalsContact O-N 3.12Å; G51-A54 WeakPolarHBondContact O-CB 3.46Å; G51-A54 PolarHBondContact O-N 3.35Å |
| 52 | H | 66.1 | Low | 69.2 | Low | 72 Ų | 72 | 99.1 Ų | 99.1 | 33% | 0.333 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | -30.2 | 179.6 | -179.1 | 79.6 | 0 | 0 | 0 | 116.3 | V48 P49 | V48-H52 HydrophobicContact CG1-CB 3.16Å; P49-H52 HydrophobicContact CG-CB 4.4Å; P49-H52 WeakPolarHBondContact O-CB 3.27Å; P49-H52 PolarHBondContact O-N 2.74Å |
| 53 | N | 69.6 | Low | 70.8 | Confident | 142 Ų | 142 | 98.5 Ų | 98.5 | 76% | 0.759 | 51% | 0.51 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.9 | 2.3 | 176.2 | -62.8 | -30.4 | 0 | 0 | 0 | 112.9 | G51 | G51-N53 PolarHBondContact O-N 2.88Å; G51-N53 VanDerWaalsContact O-N 3.12Å |
| 54 | A | 77.9 | Confident | 72.1 | Confident | 27 Ų | 27 | 92.9 Ų | 92.9 | 22% | 0.223 | 50% | 0.495 | C | S | . | . | S | Bend | trans | -75.6 | 151.5 | 178.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | G51 L58 K59 I62 | G51-A54 WeakPolarHBondContact O-CB 3.46Å; G51-A54 PolarHBondContact O-N 3.35Å; A54-L58 HydrophobicContact CB-CB 4.14Å; A54-L58 HydrophobicContact CB-CD2 3.99Å; A54-L58 HydrophobicContact CB-CG 4.15Å; A54-K59 HydrophobicContact CB-CB 4.33Å; A54-I62 HydrophobicContact CB-CD1 4.39Å |
| 55 | P | 79.8 | Confident | 73.5 | Confident | 89 Ų | 89 | 92 Ų | 92 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | trans | -49.2 | 146.6 | 165.1 | -23.4 | 32.4 | 0 | 0 | 0 | 110.5 | D57 L58 K59 | P55-D57 PolarHBondContact O-N 3.32Å; P55-D57 VanDerWaalsContact O-N 3.16Å; P55-L58 HydrophobicContact CB-CB 4.44Å; P55-L58 PolarHBondContact O-N 2.9Å; P55-K59 PolarHBondContact O-N 2.99Å | ||
| 56 | K | 76.3 | Confident | 74.6 | Confident | 164 Ų | 164 | 94.7 Ų | 94.7 | 71% | 0.713 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -51.2 | -44.9 | -174.6 | -67.3 | -179.4 | -177.7 | 176.2 | 0 | 112.4 | L58 K59 E60 | K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.95Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.28Å; K56-E60 WeakPolarHBondContact O-CG 3.29Å; K56-E60 PolarHBondContact O-N 3Å |
| 57 | D | 78.1 | Confident | 75.8 | Confident | 130 Ų | 130 | 90.4 Ų | 90.4 | 70% | 0.695 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -62.3 | -41.5 | -179.6 | -48.2 | -20.7 | 0 | 0 | 0 | 111.6 | P55 E61 | P55-D57 PolarHBondContact O-N 3.32Å; P55-D57 VanDerWaalsContact O-N 3.16Å; D57-E61 WeakPolarHBondContact O-CB 3.49Å; D57-E61 PolarHBondContact O-N 3.46Å |
| 58 | L | 82.8 | Confident | 76.8 | Confident | 82 Ų | 82 | 89.4 Ų | 89.4 | 43% | 0.429 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -72 | -36.9 | 177.9 | -174 | 65.8 | 0 | 0 | 0 | 111.5 | A54 P55 K56 E61 I62 | A54-L58 HydrophobicContact CB-CB 4.14Å; A54-L58 HydrophobicContact CB-CD2 3.99Å; A54-L58 HydrophobicContact CB-CG 4.15Å; P55-L58 HydrophobicContact CB-CB 4.44Å; P55-L58 PolarHBondContact O-N 2.9Å; K56-L58 VanDerWaalsContact C-N 3.33Å; K56-L58 PolarHBondContact O-N 2.95Å; L58-E61 PolarHBondContact O-N 2.98Å; L58-I62 HydrophobicContact CG-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CB 3.35Å; L58-I62 WeakPolarHBondContact O-CD1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.86Å |
| 59 | K | 81.9 | Confident | 77.7 | Confident | 75 Ų | 75 | 90.2 Ų | 90.2 | 33% | 0.326 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -63.1 | -46.8 | 174.5 | -173.9 | -162.7 | 167.4 | -153 | 0 | 110.7 | A54 P55 K56 E61 I62 D63 | A54-K59 HydrophobicContact CB-CB 4.33Å; P55-K59 PolarHBondContact O-N 2.99Å; K56-K59 WeakPolarHBondContact O-CB 3.4Å; K56-K59 PolarHBondContact O-N 3.28Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 3.43Å; K59-I62 PolarHBondContact O-N 2.94Å; K59-D63 PolarHBondContact O-N 2.93Å |
| 60 | E | 81.6 | Confident | 78.3 | Confident | 117 Ų | 117 | 95.6 Ų | 95.6 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.9 | -42.5 | 175.8 | -74.6 | 175.1 | -163.1 | 0 | 0 | 111 | K56 I62 D63 I64 | K56-E60 WeakPolarHBondContact O-CG 3.29Å; K56-E60 PolarHBondContact O-N 3Å; E60-I62 PolarHBondContact O-N 3.44Å; E60-D63 PolarHBondContact O-N 3.33Å; E60-I64 WeakPolarHBondContact O-CB 3.34Å; E60-I64 WeakPolarHBondContact O-CD1 3.48Å; E60-I64 WeakPolarHBondContact O-CG1 3.5Å; E60-I64 PolarHBondContact O-N 3.38Å |
| 61 | E | 81.9 | Confident | 79 | Confident | 82 Ų | 82 | 96 Ų | 96 | 38% | 0.383 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -41.2 | 175.5 | -173.9 | 175.1 | -171.4 | 0 | 0 | 112.7 | D57 L58 K59 I64 R65 | D57-E61 WeakPolarHBondContact O-CB 3.49Å; D57-E61 PolarHBondContact O-N 3.46Å; L58-E61 PolarHBondContact O-N 2.98Å; K59-E61 VanDerWaalsContact C-N 3.31Å; K59-E61 PolarHBondContact O-N 3.43Å; E61-I64 PolarHBondContact O-N 3.38Å; E61-R65 HydrophobicContact CG-CG 4.42Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.48Å; E61-R65 IonicContact OE1-CZ 2.87Å; E61-R65 VanDerWaalsContact OE1-CZ 3.22Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.26Å; E61-R65 IonicContact OE1-NH2 3.47Å; E61-R65 PolarHBondContact OE1-NH2 2.98Å |
| 62 | I | 82.5 | Confident | 79.7 | Confident | 44 Ų | 44 | 99.6 Ų | 99.6 | 23% | 0.226 | 50% | 0.496 | C | S | . | . | H | α-helix | trans | -60.9 | -47.7 | 175.1 | -71.4 | 163.1 | 0 | 0 | 0 | 110 | V50 A54 L58 K59 E60 I64 R65 L66 | V50-I62 HydrophobicContact CB-CG2 4.13Å; V50-I62 HydrophobicContact CG1-CG2 3.83Å; A54-I62 HydrophobicContact CB-CD1 4.39Å; L58-I62 HydrophobicContact CG-CD1 4.1Å; L58-I62 WeakPolarHBondContact O-CB 3.35Å; L58-I62 WeakPolarHBondContact O-CD1 3.29Å; L58-I62 WeakPolarHBondContact O-CG1 3.44Å; L58-I62 PolarHBondContact O-N 2.86Å; K59-I62 PolarHBondContact O-N 2.94Å; E60-I62 PolarHBondContact O-N 3.44Å; I62-I64 PolarHBondContact O-N 2.94Å; I62-R65 PolarHBondContact O-N 2.85Å; I62-L66 VanDerWaalsContact O-CB 3.3Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 3.32Å |
| 63 | D | 84.2 | Confident | 80 | Confident | 64 Ų | 64 | 104.2 Ų | 104.2 | 34% | 0.342 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 179.1 | -72.3 | -25.8 | 0 | 0 | 0 | 111.3 | K59 E60 L66 S67 | K59-D63 PolarHBondContact O-N 2.93Å; E60-D63 PolarHBondContact O-N 3.33Å; D63-L66 PolarHBondContact O-N 3.49Å; D63-S67 WeakPolarHBondContact O-CB 3.28Å; D63-S67 PolarHBondContact O-N 3.28Å; D63-S67 PolarHBondContact O-OG 3.15Å |
| 64 | I | 84.1 | Confident | 80.2 | Confident | 92 Ų | 92 | 104 Ų | 104 | 47% | 0.472 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.6 | -43.5 | 174.3 | -69.5 | 163.3 | 0 | 0 | 0 | 111.2 | E60 E61 I62 S67 R68 | E60-I64 WeakPolarHBondContact O-CB 3.34Å; E60-I64 WeakPolarHBondContact O-CD1 3.48Å; E60-I64 WeakPolarHBondContact O-CG1 3.5Å; E60-I64 PolarHBondContact O-N 3.38Å; E61-I64 PolarHBondContact O-N 3.38Å; I62-I64 PolarHBondContact O-N 2.94Å; I64-S67 WeakPolarHBondContact CA-OG 3.25Å; I64-S67 PolarHBondContact O-OG 2.93Å; I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 3.28Å; I64-R68 VanDerWaalsContact O-N 3.15Å |
| 65 | R | 83 | Confident | 79.8 | Confident | 156 Ų | 156 | 110.9 Ų | 110.9 | 59% | 0.589 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.4 | -38.6 | 178.6 | -73.1 | 174.4 | -179.8 | -142.2 | 6.2 | 111.5 | E61 I62 R68 V69 | E61-R65 HydrophobicContact CG-CG 4.42Å; E61-R65 WeakPolarHBondContact O-CB 3.49Å; E61-R65 VanDerWaalsContact O-CG 3.26Å; E61-R65 WeakPolarHBondContact O-CG 3.47Å; E61-R65 PolarHBondContact O-N 3.48Å; E61-R65 IonicContact OE1-CZ 2.87Å; E61-R65 VanDerWaalsContact OE1-CZ 3.22Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.26Å; E61-R65 IonicContact OE1-NH2 3.47Å; E61-R65 PolarHBondContact OE1-NH2 2.98Å; I62-R65 PolarHBondContact O-N 2.85Å; R65-R68 WeakPolarHBondContact O-CB 3.38Å; R65-R68 PolarHBondContact O-N 3.03Å; R65-V69 WeakPolarHBondContact O-CG2 3.45Å; R65-V69 PolarHBondContact O-N 3.43Å |
| 66 | L | 83.8 | Confident | 79.3 | Confident | 92 Ų | 92 | 112.4 Ų | 112.4 | 48% | 0.482 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -69.9 | -38.7 | -179.7 | -155.2 | 73.6 | 0 | 0 | 0 | 111.8 | V50 I62 D63 R68 V69 | V50-L66 HydrophobicContact CG2-CD2 4.16Å; I62-L66 VanDerWaalsContact O-CB 3.3Å; I62-L66 WeakPolarHBondContact O-CB 3.46Å; I62-L66 PolarHBondContact O-N 3.32Å; D63-L66 PolarHBondContact O-N 3.49Å; L66-R68 VanDerWaalsContact C-N 3.34Å; L66-V69 WeakPolarHBondContact O-CB 3.37Å; L66-V69 PolarHBondContact O-N 3.14Å |
| 67 | S | 82.4 | Confident | 79 | Confident | 58 Ų | 58 | 113.3 Ų | 113.3 | 41% | 0.406 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -62.7 | -40.7 | 172.1 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | D63 I64 V69 Q70 | D63-S67 WeakPolarHBondContact O-CB 3.28Å; D63-S67 PolarHBondContact O-N 3.28Å; D63-S67 PolarHBondContact O-OG 3.15Å; I64-S67 WeakPolarHBondContact CA-OG 3.25Å; I64-S67 PolarHBondContact O-OG 2.93Å; S67-V69 PolarHBondContact O-N 3.31Å; S67-Q70 WeakPolarHBondContact O-CB 3.46Å; S67-Q70 PolarHBondContact O-N 3.26Å; S67-Q70 VanDerWaalsContact O-N 3.1Å |
| 68 | R | 81.3 | Confident | 78.8 | Confident | 155 Ų | 155 | 115.3 Ų | 115.3 | 59% | 0.585 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -58.9 | -29.7 | 174.4 | -76.9 | 176.8 | 173.5 | -164 | -2.9 | 114 | I64 R65 L66 Q70 D71 I72 | I64-R68 WeakPolarHBondContact O-CG 3.47Å; I64-R68 PolarHBondContact O-N 3.28Å; I64-R68 VanDerWaalsContact O-N 3.15Å; R65-R68 WeakPolarHBondContact O-CB 3.38Å; R65-R68 PolarHBondContact O-N 3.03Å; L66-R68 VanDerWaalsContact C-N 3.34Å; R68-Q70 PolarHBondContact O-N 2.92Å; R68-D71 PolarHBondContact O-N 3.35Å; R68-D71 VanDerWaalsContact O-N 3.07Å; R68-I72 WeakPolarHBondContact O-CG1 3.33Å; R68-I72 PolarHBondContact O-N 2.74Å |
| 69 | V | 79.9 | Confident | 78.5 | Confident | 87 Ų | 87 | 114.1 Ų | 114.1 | 53% | 0.527 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -60.3 | -33.4 | 177.9 | 176.7 | 0 | 0 | 0 | 0 | 111.4 | R65 L66 S67 D71 I72 | R65-V69 WeakPolarHBondContact O-CG2 3.45Å; R65-V69 PolarHBondContact O-N 3.43Å; L66-V69 WeakPolarHBondContact O-CB 3.37Å; L66-V69 PolarHBondContact O-N 3.14Å; S67-V69 PolarHBondContact O-N 3.31Å; V69-D71 PolarHBondContact O-N 3.08Å; V69-I72 PolarHBondContact O-N 3.35Å |
| 70 | Q | 77.1 | Confident | 78.3 | Confident | 170 Ų | 170 | 113.8 Ų | 113.8 | 79% | 0.794 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.6 | -26.2 | 178.1 | -59.5 | -176.8 | -2 | 0 | 0 | 112.6 | S67 R68 | S67-Q70 WeakPolarHBondContact O-CB 3.46Å; S67-Q70 PolarHBondContact O-N 3.26Å; S67-Q70 VanDerWaalsContact O-N 3.1Å; R68-Q70 PolarHBondContact O-N 2.92Å |
| 71 | D | 79.6 | Confident | 78 | Confident | 94 Ų | 94 | 115.2 Ų | 115.2 | 50% | 0.503 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -87.2 | -11.2 | -179.4 | -62.6 | -34.9 | 0 | 0 | 0 | 112.8 | R68 V69 K73 T150 | R68-D71 PolarHBondContact O-N 3.35Å; R68-D71 VanDerWaalsContact O-N 3.07Å; V69-D71 PolarHBondContact O-N 3.08Å; D71-K73 PolarHBondContact O-N 3.15Å; D71-K73 VanDerWaalsContact O-N 3.11Å; D71-T150 HydrophobicContact CB-CG2 3.78Å; D71-T150 WeakPolarHBondContact O-CB 3.43Å |
| 72 | I | 79.3 | Confident | 77.8 | Confident | 99 Ų | 99 | 118.6 Ų | 118.6 | 51% | 0.508 | 60% | 0.596 | S | S | . | * | trans | -73.2 | 105.5 | -179.5 | -59.2 | 175 | 0 | 0 | 0 | 109 | R68 V69 Y74 | R68-I72 WeakPolarHBondContact O-CG1 3.33Å; R68-I72 PolarHBondContact O-N 2.74Å; V69-I72 PolarHBondContact O-N 3.35Å; I72-Y74 WeakPolarHBondContact CG2-O 3.46Å | ||
| 73 | K | 73.7 | Confident | 77.5 | Confident | 170 Ų | 170 | 118.9 Ų | 118.9 | 74% | 0.739 | 60% | 0.598 | S | S | * | * | trans | -91.4 | -17.7 | 178.6 | -68 | -179.1 | -179 | -179.4 | 0 | 114.1 | D71 | D71-K73 PolarHBondContact O-N 3.15Å; D71-K73 VanDerWaalsContact O-N 3.11Å | ||
| 74 | Y | 72.9 | Confident | 77.1 | Confident | 137 Ų | 137 | 119.2 Ų | 119.2 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | trans | -126.8 | 126.2 | -171.4 | -63.7 | -78 | 0 | 0 | 0 | 110.7 | I72 V152 | I72-Y74 WeakPolarHBondContact CG2-O 3.46Å; Y74-V152 HydrophobicContact CE1-CG2 4.42Å; Y74-V152 HydrophobicContact CE2-CB 4.38Å; Y74-V152 HydrophobicContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CZ-CG2 3.42Å; Y74-V152 WeakPolarHBondContact OH-CG2 3.3Å | ||
| 75 | E | 68.8 | Low | 76.5 | Confident | 171 Ų | 171 | 122.2 Ų | 122.2 | 80% | 0.799 | 62% | 0.615 | S | S | * | * | trans | -86.4 | 137.2 | 175.8 | -168.1 | 175.5 | 178.6 | 0 | 0 | 110.2 | Q77 | E75-Q77 PolarHBondContact O-N 2.94Å; E75-Q77 VanDerWaalsContact O-N 3.15Å | ||
| 76 | P | 70.3 | Confident | 75.9 | Confident | 121 Ų | 121 | 117.8 Ų | 117.8 | 79% | 0.786 | 60% | 0.602 | S | S | * | * | trans | -64.2 | 115.5 | 174 | 25.8 | -33.6 | 0 | 0 | 0 | 110.3 | ||||
| 77 | Q | 69.1 | Low | 75.2 | Confident | 184 Ų | 184 | 117.7 Ų | 117.7 | 86% | 0.86 | 60% | 0.602 | S | S | * | * | P | Polyproline II helix | trans | -82.1 | 129.3 | 172.1 | -67.9 | -178.5 | -13.4 | 0 | 0 | 109.8 | E75 L79 | E75-Q77 PolarHBondContact O-N 2.94Å; E75-Q77 VanDerWaalsContact O-N 3.15Å; Q77-L79 PolarHBondContact O-N 2.87Å |
| 78 | L | 73.9 | Confident | 74.4 | Confident | 172 Ų | 172 | 121 Ų | 121 | 90% | 0.901 | 61% | 0.611 | S | S | * | * | P | Polyproline II helix | trans | -68.2 | 129.6 | 171.4 | -170.8 | 65.9 | 0 | 0 | 0 | 108.7 | ||
| 79 | L | 77.1 | Confident | 73.6 | Confident | 57 Ų | 57 | 119.8 Ų | 119.8 | 30% | 0.298 | 62% | 0.616 | S | S | . | * | P | Polyproline II helix | trans | -65.7 | 138.7 | 174.1 | -64.6 | 159.9 | 0 | 0 | 0 | 108.6 | Q77 D83 L86 | Q77-L79 PolarHBondContact O-N 2.87Å; L79-D83 HydrophobicContact CB-CB 4.37Å; L79-D83 WeakPolarHBondContact CD2-OD2 3.42Å; L79-L86 HydrophobicContact CB-CD1 4.22Å; L79-L86 HydrophobicContact CB-CD2 4.41Å; L79-L86 HydrophobicContact CB-CG 4.22Å; L79-L86 HydrophobicContact CD1-CD2 4.03Å; L79-L86 HydrophobicContact CD1-CG 4.43Å |
| 80 | A | 78.5 | Confident | 72.6 | Confident | 67 Ų | 67 | 122.6 Ų | 122.6 | 55% | 0.554 | 62% | 0.623 | S | S | * | * | P | Polyproline II helix | trans | -67.4 | 150.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | D82 D83 L86 | A80-D82 PolarHBondContact O-N 3.47Å; A80-D82 VanDerWaalsContact O-N 3.15Å; A80-D83 WeakPolarHBondContact O-CB 3.3Å; A80-D83 PolarHBondContact O-N 3.47Å; A80-L86 WeakPolarHBondContact O-CD1 3.17Å |
| 81 | D | 74.3 | Confident | 71.8 | Confident | 148 Ų | 148 | 119.5 Ų | 119.5 | 79% | 0.791 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.7 | -30.5 | -175.9 | -64.8 | -38.2 | 0 | 0 | 0 | 113 | D83 | D81-D83 VanDerWaalsContact C-N 3.35Š|
| 82 | D | 77.5 | Confident | 70.5 | Confident | 153 Ų | 153 | 121.1 Ų | 121.1 | 82% | 0.818 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.8 | 6.5 | 178.6 | -63.5 | -36.4 | 0 | 0 | 0 | 114 | A80 A84 | A80-D82 PolarHBondContact O-N 3.47Å; A80-D82 VanDerWaalsContact O-N 3.15Å; D82-A84 PolarHBondContact O-N 2.94Å |
| 83 | D | 77.4 | Confident | 69.1 | Low | 50 Ų | 50 | 118.5 Ų | 118.5 | 27% | 0.267 | 62% | 0.618 | S | S | . | * | trans | -65.9 | 128.9 | -177.3 | -165.5 | -40.5 | 0 | 0 | 0 | 110.6 | L79 A80 D81 R85 L86 L87 | L79-D83 HydrophobicContact CB-CB 4.37Å; L79-D83 WeakPolarHBondContact CD2-OD2 3.42Å; A80-D83 WeakPolarHBondContact O-CB 3.3Å; A80-D83 PolarHBondContact O-N 3.47Å; D81-D83 VanDerWaalsContact C-N 3.35Å; D83-R85 PolarHBondContact O-N 3.33Å; D83-R85 WeakPolarHBondContact OD1-CB 3.4Å; D83-R85 WeakPolarHBondContact OD1-CG 3.26Å; D83-R85 PolarHBondContact OD1-N 2.87Å; D83-L86 HydrophobicContact CB-CG 4.5Å; D83-L86 WeakPolarHBondContact O-CB 3.47Å; D83-L86 PolarHBondContact O-N 2.93Å; D83-L87 PolarHBondContact O-N 2.88Å | ||
| 84 | A | 76 | Confident | 67.7 | Low | 71 Ų | 71 | 117.5 Ų | 117.5 | 59% | 0.587 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -53 | -26.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | D82 L87 Q88 | D82-A84 PolarHBondContact O-N 2.94Å; A84-L87 PolarHBondContact O-N 3.27Å; A84-Q88 WeakPolarHBondContact O-CB 3.47Å; A84-Q88 PolarHBondContact O-N 3.42Å |
| 85 | R | 71.8 | Confident | 66.5 | Low | 155 Ų | 155 | 119.4 Ų | 119.4 | 59% | 0.585 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -35.8 | 174.8 | -64.5 | 177 | 64.2 | -178.7 | 0.1 | 112.9 | D83 L89 | D83-R85 PolarHBondContact O-N 3.33Å; D83-R85 WeakPolarHBondContact OD1-CB 3.4Å; D83-R85 WeakPolarHBondContact OD1-CG 3.26Å; D83-R85 PolarHBondContact OD1-N 2.87Å; R85-L89 WeakPolarHBondContact O-CD1 3.43Å; R85-L89 PolarHBondContact O-N 3.36Å |
| 86 | L | 69.3 | Low | 65.4 | Low | 62 Ų | 62 | 118.6 Ų | 118.6 | 33% | 0.325 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -71.3 | -42.7 | 175 | -66.8 | -180 | 0 | 0 | 0 | 110.6 | L79 A80 D83 Q88 L89 E90 | L79-L86 HydrophobicContact CB-CD1 4.22Å; L79-L86 HydrophobicContact CB-CD2 4.41Å; L79-L86 HydrophobicContact CB-CG 4.22Å; L79-L86 HydrophobicContact CD1-CD2 4.03Å; L79-L86 HydrophobicContact CD1-CG 4.43Å; A80-L86 WeakPolarHBondContact O-CD1 3.17Å; D83-L86 HydrophobicContact CB-CG 4.5Å; D83-L86 WeakPolarHBondContact O-CB 3.47Å; D83-L86 PolarHBondContact O-N 2.93Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.38Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 3.09Å; L86-L89 VanDerWaalsContact O-N 3.14Å; L86-E90 PolarHBondContact O-N 3.39Å |
| 87 | L | 69.4 | Low | 64.1 | Low | 91 Ų | 91 | 117.6 Ų | 117.6 | 48% | 0.476 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -61.1 | -37.2 | 176.2 | -62.4 | 176.8 | 0 | 0 | 0 | 112.5 | D83 A84 E90 T91 | D83-L87 PolarHBondContact O-N 2.88Å; A84-L87 PolarHBondContact O-N 3.27Å; L87-E90 PolarHBondContact O-N 3.42Å; L87-T91 WeakPolarHBondContact O-CB 3.46Å; L87-T91 PolarHBondContact O-N 3.46Å; L87-T91 PolarHBondContact O-OG1 2.99Å |
| 88 | Q | 65.9 | Low | 62.7 | Low | 128 Ų | 128 | 114.9 Ų | 114.9 | 60% | 0.598 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.8 | -36.3 | 176.6 | -165.1 | 172 | 29.8 | 0 | 0 | 112.2 | A84 L86 Q92 | A84-Q88 WeakPolarHBondContact O-CB 3.47Å; A84-Q88 PolarHBondContact O-N 3.42Å; L86-Q88 VanDerWaalsContact C-N 3.3Å; L86-Q88 PolarHBondContact O-N 3.38Å; Q88-Q92 VanDerWaalsContact O-CB 3.22Å; Q88-Q92 WeakPolarHBondContact O-CB 3.34Å; Q88-Q92 PolarHBondContact O-N 3.42Å |
| 89 | L | 63 | Low | 61.1 | Low | 129 Ų | 129 | 113.1 Ų | 113.1 | 68% | 0.675 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -63.8 | -43.1 | 172.6 | -101.1 | 95.5 | 0 | 0 | 0 | 111.7 | R85 L86 Q92 G93 | R85-L89 WeakPolarHBondContact O-CD1 3.43Å; R85-L89 PolarHBondContact O-N 3.36Å; L86-L89 WeakPolarHBondContact O-CB 3.42Å; L86-L89 PolarHBondContact O-N 3.09Å; L86-L89 VanDerWaalsContact O-N 3.14Å; L89-Q92 PolarHBondContact O-N 3.47Å; L89-G93 PolarHBondContact O-N 2.83Å |
| 90 | E | 60.6 | Low | 59.2 | Low | 146 Ų | 146 | 118.9 Ų | 118.9 | 68% | 0.682 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -64.2 | -44.6 | 178.1 | -166.7 | 179.2 | -175.2 | 0 | 0 | 111.2 | L86 L87 Q92 G93 | L86-E90 PolarHBondContact O-N 3.39Å; L87-E90 PolarHBondContact O-N 3.42Å; E90-Q92 PolarHBondContact O-N 3.23Å; E90-G93 PolarHBondContact O-N 2.87Å |
| 91 | T | 59.2 | Low | 57.6 | Low | 105 Ų | 105 | 120.4 Ų | 120.4 | 64% | 0.644 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -64 | -42.5 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 112.2 | L87 | L87-T91 WeakPolarHBondContact O-CB 3.46Å; L87-T91 PolarHBondContact O-N 3.46Å; L87-T91 PolarHBondContact O-OG1 2.99Å |
| 92 | Q | 53.5 | Low | 55.7 | Low | 127 Ų | 127 | 122 Ų | 122 | 59% | 0.593 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -79.2 | -27.3 | -178.5 | -167.8 | 171.1 | -6 | 0 | 0 | 112.9 | Q88 L89 E90 N94 Q95 K96 | Q88-Q92 VanDerWaalsContact O-CB 3.22Å; Q88-Q92 WeakPolarHBondContact O-CB 3.34Å; Q88-Q92 PolarHBondContact O-N 3.42Å; L89-Q92 PolarHBondContact O-N 3.47Å; E90-Q92 PolarHBondContact O-N 3.23Å; Q92-N94 PolarHBondContact O-N 2.82Å; Q92-Q95 PolarHBondContact O-N 2.76Å; Q92-K96 PolarHBondContact O-N 3.47Å |
| 93 | G | 49 | Very low | 53.9 | Low | 45 Ų | 45 | 118.6 Ų | 118.6 | 46% | 0.464 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -58.3 | -30.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L89 E90 Q95 | L89-G93 PolarHBondContact O-N 2.83Å; E90-G93 PolarHBondContact O-N 2.87Å; G93-Q95 PolarHBondContact O-N 3.05Å |
| 94 | N | 45.3 | Very low | 52.2 | Low | 148 Ų | 148 | 126.8 Ų | 126.8 | 79% | 0.791 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -78.9 | -12.2 | -178.2 | -134.4 | 18.3 | 0 | 0 | 0 | 114.7 | Q92 | Q92-N94 PolarHBondContact O-N 2.82Å |
| 95 | Q | 47.5 | Very low | 50.4 | Low | 177 Ų | 177 | 129.7 Ų | 129.7 | 83% | 0.827 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -128.4 | 3.7 | -175.5 | -70.9 | -150.9 | 6.7 | 0 | 0 | 116.9 | Q92 G93 | Q92-Q95 PolarHBondContact O-N 2.76Å; G93-Q95 PolarHBondContact O-N 3.05Å |
| 96 | K | 44.5 | Very low | 48.9 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 67% | 0.67 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -153.4 | 3.1 | -178.9 | -127.1 | 164.2 | -168.7 | 156.1 | 0 | 121.9 | Q92 | Q92-K96 PolarHBondContact O-N 3.47Å |
| 97 | I | 43.2 | Very low | 47.8 | Very low | 101 Ų | 101 | 136 Ų | 136 | 52% | 0.518 | 70% | 0.698 | S | S | . | * | trans | -141.8 | 118.6 | 172.3 | -46.2 | 170.2 | 0 | 0 | 0 | 107.8 | F99 | I97-F99 HydrophobicContact CB-CD2 3.63Å; I97-F99 HydrophobicContact CB-CE2 3.51Å; I97-F99 HydrophobicContact CB-CZ 4.49Å; I97-F99 HydrophobicContact CD1-CE2 3.78Å; I97-F99 HydrophobicContact CG1-CE2 4.23Å; I97-F99 HydrophobicContact CG2-CD2 3.54Å; I97-F99 HydrophobicContact CG2-CE1 4.49Å; I97-F99 HydrophobicContact CG2-CE2 3.2Å; I97-F99 HydrophobicContact CG2-CG 4.34Å; I97-F99 HydrophobicContact CG2-CZ 3.73Å; I97-F99 PolarHBondContact O-N 3.18Å | ||
| 98 | P | 39.6 | Very low | 46.5 | Very low | 127 Ų | 127 | 136.4 Ų | 136.4 | 83% | 0.825 | 71% | 0.709 | S | S | * | * | trans | -66.4 | 83.4 | 174.9 | -13.7 | 27.3 | 0 | 0 | 0 | 109.6 | H100 | P98-H100 PolarHBondContact O-N 3.07Š| ||
| 99 | F | 41 | Very low | 45.4 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 59% | 0.588 | 71% | 0.712 | S | S | * | * | trans | -95.2 | 80.7 | 165 | -74 | -70.4 | 0 | 0 | 0 | 107 | I97 S101 L109 | I97-F99 HydrophobicContact CB-CD2 3.63Å; I97-F99 HydrophobicContact CB-CE2 3.51Å; I97-F99 HydrophobicContact CB-CZ 4.49Å; I97-F99 HydrophobicContact CD1-CE2 3.78Å; I97-F99 HydrophobicContact CG1-CE2 4.23Å; I97-F99 HydrophobicContact CG2-CD2 3.54Å; I97-F99 HydrophobicContact CG2-CE1 4.49Å; I97-F99 HydrophobicContact CG2-CE2 3.2Å; I97-F99 HydrophobicContact CG2-CG 4.34Å; I97-F99 HydrophobicContact CG2-CZ 3.73Å; I97-F99 PolarHBondContact O-N 3.18Å; F99-S101 PolarHBondContact O-N 2.65Å; F99-L109 HydrophobicContact CD1-CD1 4.09Å; F99-L109 HydrophobicContact CE1-CD1 4.29Å | ||
| 100 | H | 37.6 | Very low | 44.5 | Very low | 179 Ų | 179 | 135.1 Ų | 135.1 | 83% | 0.829 | 70% | 0.704 | S | S | * | * | trans | -73.4 | 118.6 | 162.9 | -106.9 | -66.9 | 0 | 0 | 0 | 108.6 | P98 E102 | P98-H100 PolarHBondContact O-N 3.07Å; H100-E102 PolarHBondContact O-N 2.76Å | ||
| 101 | S | 45 | Very low | 43.7 | Very low | 98 Ų | 98 | 132 Ų | 132 | 69% | 0.685 | 71% | 0.711 | S | S | * | * | trans | -65.3 | 112.2 | 172.2 | 49.9 | 0 | 0 | 0 | 0 | 111 | F99 | F99-S101 PolarHBondContact O-N 2.65Š| ||
| 102 | E | 33.3 | Very low | 43.5 | Very low | 183 Ų | 183 | 132.9 Ų | 132.9 | 86% | 0.855 | 71% | 0.706 | S | S | * | * | trans | -133.8 | 126.4 | 152.9 | -79.5 | -61.4 | 159.2 | 0 | 0 | 107.8 | H100 R104 | H100-E102 PolarHBondContact O-N 2.76Å; E102-R104 PolarHBondContact O-N 2.76Å; E102-R104 VanDerWaalsContact O-N 3.15Å | ||
| 103 | G | 40.9 | Very low | 44.1 | Very low | 81 Ų | 81 | 131.2 Ų | 131.2 | 84% | 0.835 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -63.9 | 113.1 | -165.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 104 | R | 41.5 | Very low | 45.2 | Very low | 221 Ų | 221 | 131.3 Ų | 131.3 | 83% | 0.834 | 69% | 0.689 | S | S | * | * | S | Bend | trans | 171.4 | 97.2 | 143 | -178.9 | 168.6 | -95.1 | 172.2 | -7.9 | 107.9 | E102 | E102-R104 PolarHBondContact O-N 2.76Å; E102-R104 VanDerWaalsContact O-N 3.15Å |
| 105 | H | 38 | Very low | 46.7 | Very low | 133 Ų | 133 | 128.4 Ų | 128.4 | 62% | 0.616 | 67% | 0.667 | S | S | * | * | trans | 54.1 | 101.8 | 171.8 | -50.7 | -60.1 | 0 | 0 | 0 | 116.6 | R107 | H105-R107 PolarHBondContact O-N 2.98Š| ||
| 106 | P | 39.8 | Very low | 48.1 | Very low | 127 Ų | 127 | 121.7 Ų | 121.7 | 83% | 0.825 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -73.8 | 24.2 | 179.8 | 31.4 | -34.8 | 0 | 0 | 0 | 114.7 | S108 | P106-S108 VanDerWaalsContact C-N 3.32Å; P106-S108 PolarHBondContact O-N 2.74Å |
| 107 | R | 45.7 | Very low | 49.6 | Very low | 221 Ų | 221 | 120 Ų | 120 | 83% | 0.834 | 63% | 0.63 | S | S | * | * | G | 310 helix | trans | -81.6 | -5.9 | 179.7 | -77.7 | -172 | -78.3 | -167.9 | -4.3 | 114.1 | H105 | H105-R107 PolarHBondContact O-N 2.98Š|
| 108 | S | 41.6 | Very low | 51.2 | Low | 101 Ų | 101 | 115.2 Ų | 115.2 | 71% | 0.706 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -108.7 | 3.1 | -168.9 | -163 | 0 | 0 | 0 | 0 | 116.3 | P106 | P106-S108 VanDerWaalsContact C-N 3.32Å; P106-S108 PolarHBondContact O-N 2.74Å |
| 109 | L | 43 | Very low | 53 | Low | 127 Ų | 127 | 111.1 Ų | 111.1 | 67% | 0.665 | 58% | 0.577 | S | S | * | * | S | Bend | trans | -91.2 | 8 | 178.3 | -68.6 | 177.8 | 0 | 0 | 0 | 114.6 | F99 | F99-L109 HydrophobicContact CD1-CD1 4.09Å; F99-L109 HydrophobicContact CE1-CD1 4.29Å |
| 110 | M | 44.3 | Very low | 54.7 | Low | 102 Ų | 102 | 107.8 Ų | 107.8 | 50% | 0.502 | 57% | 0.565 | S | S | . | * | trans | -111.1 | 78.7 | 154 | -101.4 | -173 | -35.9 | 0 | 0 | 107.6 | K112 F114 | M110-K112 VanDerWaalsContact CB-O 3.25Å; M110-K112 WeakPolarHBondContact CB-O 2.89Å; M110-K112 VanDerWaalsContact CG-O 3.28Å; M110-K112 WeakPolarHBondContact CG-O 3.42Å; M110-K112 CarbonylContact O-C 3.37Å; M110-K112 PolarHBondContact O-N 2.71Å; M110-F114 HydrophobicContact CE-CB 4.2Å; M110-F114 HydrophobicContact SD-CB 3.78Å; M110-F114 PolarHBondContact SD-N 3.37Å | ||
| 111 | G | 44.7 | Very low | 56.5 | Low | 81 Ų | 81 | 101.3 Ų | 101.3 | 84% | 0.835 | 54% | 0.536 | S | S | * | . | S | Bend | trans | -54.8 | -13.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 112 | K | 54.4 | Low | 57.8 | Low | 123 Ų | 123 | 101.1 Ų | 101.1 | 54% | 0.535 | 52% | 0.52 | S | S | . | . | S | Bend | trans | -129.4 | 116.9 | 165.7 | -69.7 | -176.2 | 179.8 | -173.1 | 0 | 107.3 | M110 S116 D120 | M110-K112 VanDerWaalsContact CB-O 3.25Å; M110-K112 WeakPolarHBondContact CB-O 2.89Å; M110-K112 VanDerWaalsContact CG-O 3.28Å; M110-K112 WeakPolarHBondContact CG-O 3.42Å; M110-K112 CarbonylContact O-C 3.37Å; M110-K112 PolarHBondContact O-N 2.71Å; K112-S116 VanDerWaalsContact C-OG 3.25Å; K112-S116 VanDerWaalsContact CA-OG 3.31Å; K112-S116 WeakPolarHBondContact CA-OG 3.23Å; K112-S116 VanDerWaalsContact CB-OG 3.23Å; K112-S116 WeakPolarHBondContact CB-OG 3.46Å; K112-D120 IonicContact NZ-OD2 3.16Å; K112-D120 PolarHBondContact NZ-OD2 3.14Å; K112-D120 VanDerWaalsContact NZ-OD2 3.16Å |
| 113 | N | 66.9 | Low | 59.7 | Low | 93 Ų | 93 | 97.3 Ų | 97.3 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | trans | -52.9 | 144.1 | 173.4 | 55.2 | 23.4 | 0 | 0 | 0 | 109.7 | R115 S116 Y117 | N113-R115 CarbonylContact O-C 3.51Å; N113-R115 PolarHBondContact O-N 2.92Å; N113-S116 PolarHBondContact N-OG 2.92Å; N113-S116 VanDerWaalsContact N-OG 3.1Å; N113-S116 WeakPolarHBondContact O-CA 3.49Å; N113-S116 PolarHBondContact O-N 2.88Å; N113-S116 PolarHBondContact O-OG 3.09Å; N113-S116 WeakPolarHBondContact OD1-CA 3.38Å; N113-S116 WeakPolarHBondContact OD1-CB 3.45Å; N113-S116 PolarHBondContact OD1-N 3.33Å; N113-S116 PolarHBondContact OD1-OG 2.94Å; N113-Y117 PolarHBondContact O-N 3.28Å; N113-Y117 VanDerWaalsContact O-N 3.09Å | ||
| 114 | F | 72.2 | Confident | 60.9 | Low | 47 Ų | 47 | 96.6 Ų | 96.6 | 21% | 0.206 | 49% | 0.485 | C | S | . | . | H | α-helix | trans | -48.6 | -36.8 | -176.7 | 177.8 | -110.1 | 0 | 0 | 0 | 112.6 | M110 Y117 L118 Y143 L165 | M110-F114 HydrophobicContact CE-CB 4.2Å; M110-F114 HydrophobicContact SD-CB 3.78Å; M110-F114 PolarHBondContact SD-N 3.37Å; F114-Y117 WeakPolarHBondContact O-CB 3.48Å; F114-Y117 PolarHBondContact O-N 3.08Å; F114-L118 HydrophobicContact CD1-CD1 3.97Å; F114-L118 HydrophobicContact CD1-CG 4.39Å; F114-L118 HydrophobicContact CE1-CD1 3.43Å; F114-L118 VanDerWaalsContact CE1-CD1 3.43Å; F114-L118 HydrophobicContact CE1-CG 4.04Å; F114-L118 HydrophobicContact CE2-CD2 4.37Å; F114-L118 HydrophobicContact CE2-CG 4.33Å; F114-L118 HydrophobicContact CZ-CD1 3.77Å; F114-L118 HydrophobicContact CZ-CD2 4.09Å; F114-L118 HydrophobicContact CZ-CG 4Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 3.2Å; F114-Y143 HydrophobicContact CB-CE2 4.29Å; F114-Y143 HydrophobicContact CD1-CD1 4.45Å; F114-Y143 AromaticContact CD1-CD2 3.51Å; F114-Y143 HydrophobicContact CD1-CD2 3.51Å; F114-Y143 AromaticContact CD1-CE2 3.58Å; F114-Y143 HydrophobicContact CD1-CE2 3.58Å; F114-Y143 AromaticContact CD1-CG 3.96Å; F114-Y143 HydrophobicContact CD1-CG 3.96Å; F114-Y143 AromaticContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CE2 4.35Å; F114-Y143 HydrophobicContact CE1-CG 4.25Å; F114-Y143 HydrophobicContact CG-CE2 4.31Å; F114-L165 HydrophobicContact CZ-CD2 4.24Å |
| 115 | R | 76.6 | Confident | 61.5 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 33% | 0.328 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -53.2 | -53.6 | 168.6 | 173.1 | 167 | -169.2 | 139.5 | 16.8 | 113.7 | N113 Y117 L118 L119 L140 Y143 E144 | N113-R115 CarbonylContact O-C 3.51Å; N113-R115 PolarHBondContact O-N 2.92Å; R115-Y117 VanDerWaalsContact C-N 3.29Å; R115-Y117 PolarHBondContact O-N 3.34Å; R115-L118 PolarHBondContact O-N 3.47Å; R115-L119 HydrophobicContact CG-CD1 3.87Å; R115-L119 HydrophobicContact CG-CG 4.47Å; R115-L119 WeakPolarHBondContact O-CB 3.27Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.45Å; R115-L119 PolarHBondContact O-N 3.43Å; R115-L140 HydrophobicContact CB-CD1 4.21Å; R115-L140 HydrophobicContact CG-CD1 3.74Å; R115-Y143 HydrophobicContact CB-CE1 4.49Å; R115-E144 VanDerWaalsContact CZ-CD 3.47Å; R115-E144 IonicContact CZ-OE1 3.07Å; R115-E144 IonicContact CZ-OE2 2.76Å; R115-E144 IonicContact NE-OE1 2.65Å; R115-E144 IonicContact NH1-OE1 3.59Å; R115-E144 PolarHBondContact NH1-OE1 3.26Å; R115-E144 IonicContact NH1-OE2 3.78Å; R115-E144 PolarHBondContact NH1-OE2 3.13Å; R115-E144 IonicContact NH2-OE1 3.22Å; R115-E144 PolarHBondContact NH2-OE1 2.82Å; R115-E144 IonicContact NH2-OE2 2.89Å; R115-E144 PolarHBondContact NH2-OE2 2.96Å |
| 116 | S | 76.4 | Confident | 62.4 | Low | 35 Ų | 35 | 87.9 Ų | 87.9 | 25% | 0.245 | 47% | 0.471 | C | S | . | . | H | α-helix | trans | -63.1 | -35.2 | 177.3 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | K112 N113 L119 D120 | K112-S116 VanDerWaalsContact C-OG 3.25Å; K112-S116 VanDerWaalsContact CA-OG 3.31Å; K112-S116 WeakPolarHBondContact CA-OG 3.23Å; K112-S116 VanDerWaalsContact CB-OG 3.23Å; K112-S116 WeakPolarHBondContact CB-OG 3.46Å; N113-S116 PolarHBondContact N-OG 2.92Å; N113-S116 VanDerWaalsContact N-OG 3.1Å; N113-S116 WeakPolarHBondContact O-CA 3.49Å; N113-S116 PolarHBondContact O-N 2.88Å; N113-S116 PolarHBondContact O-OG 3.09Å; N113-S116 WeakPolarHBondContact OD1-CA 3.38Å; N113-S116 WeakPolarHBondContact OD1-CB 3.45Å; N113-S116 PolarHBondContact OD1-N 3.33Å; N113-S116 PolarHBondContact OD1-OG 2.94Å; S116-L119 PolarHBondContact O-N 3.14Å; S116-D120 WeakPolarHBondContact O-CB 3.31Å; S116-D120 PolarHBondContact O-N 2.9Å |
| 117 | Y | 75.3 | Confident | 62.9 | Low | 118 Ų | 118 | 88 Ų | 88 | 46% | 0.463 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 173.8 | 173.7 | -99.1 | 0 | 0 | 0 | 111.7 | N113 F114 R115 D120 L121 | N113-Y117 PolarHBondContact O-N 3.28Å; N113-Y117 VanDerWaalsContact O-N 3.09Å; F114-Y117 WeakPolarHBondContact O-CB 3.48Å; F114-Y117 PolarHBondContact O-N 3.08Å; R115-Y117 VanDerWaalsContact C-N 3.29Å; R115-Y117 PolarHBondContact O-N 3.34Å; Y117-D120 PolarHBondContact O-N 3.1Å; Y117-L121 WeakPolarHBondContact O-CB 3.47Å; Y117-L121 PolarHBondContact O-N 3.46Å |
| 118 | L | 76.7 | Confident | 63.4 | Low | 1 Ų | 1 | 82.1 Ų | 82.1 | 1% | 0.005 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -62.5 | -42 | 175.1 | -71.3 | -176.3 | 0 | 0 | 0 | 112 | F114 R115 L121 R122 I136 L139 L168 | F114-L118 HydrophobicContact CD1-CD1 3.97Å; F114-L118 HydrophobicContact CD1-CG 4.39Å; F114-L118 HydrophobicContact CE1-CD1 3.43Å; F114-L118 VanDerWaalsContact CE1-CD1 3.43Å; F114-L118 HydrophobicContact CE1-CG 4.04Å; F114-L118 HydrophobicContact CE2-CD2 4.37Å; F114-L118 HydrophobicContact CE2-CG 4.33Å; F114-L118 HydrophobicContact CZ-CD1 3.77Å; F114-L118 HydrophobicContact CZ-CD2 4.09Å; F114-L118 HydrophobicContact CZ-CG 4Å; F114-L118 WeakPolarHBondContact O-CG 3.41Å; F114-L118 PolarHBondContact O-N 3.2Å; R115-L118 PolarHBondContact O-N 3.47Å; L118-L121 WeakPolarHBondContact O-CB 3.35Å; L118-L121 PolarHBondContact O-N 3.32Å; L118-R122 PolarHBondContact O-N 3.49Å; L118-I136 HydrophobicContact CB-CG2 4.1Å; L118-I136 WeakPolarHBondContact O-CG2 3.48Å; L118-L139 HydrophobicContact CD1-CB 4.14Å; L118-L168 HydrophobicContact CD2-CD2 4.17Å |
| 119 | L | 78.6 | Confident | 64 | Low | 42 Ų | 42 | 87.6 Ų | 87.6 | 22% | 0.22 | 46% | 0.464 | C | S | . | . | H | α-helix | trans | -65.9 | -39.5 | 176.9 | -71.5 | 171.4 | 0 | 0 | 0 | 112.4 | R115 S116 L121 R122 N123 L140 | R115-L119 HydrophobicContact CG-CD1 3.87Å; R115-L119 HydrophobicContact CG-CG 4.47Å; R115-L119 WeakPolarHBondContact O-CB 3.27Å; R115-L119 VanDerWaalsContact O-CG 3.27Å; R115-L119 WeakPolarHBondContact O-CG 3.45Å; R115-L119 PolarHBondContact O-N 3.43Å; S116-L119 PolarHBondContact O-N 3.14Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L119-R122 WeakPolarHBondContact O-CB 3.15Å; L119-R122 PolarHBondContact O-N 3.03Å; L119-N123 WeakPolarHBondContact O-CB 3.32Å; L119-N123 PolarHBondContact O-N 3.2Å; L119-N123 PolarHBondContact O-ND2 3.04Å; L119-N123 VanDerWaalsContact O-ND2 3.13Å; L119-L140 HydrophobicContact CD2-CD2 3.78Å; L119-L140 HydrophobicContact CG-CD2 4.34Å |
| 120 | D | 76.3 | Confident | 64.7 | Low | 64 Ų | 64 | 83.5 Ų | 83.5 | 34% | 0.342 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 174 | -162.7 | 15.6 | 0 | 0 | 0 | 110 | K112 S116 Y117 R122 N123 T124 | K112-D120 IonicContact NZ-OD2 3.16Å; K112-D120 PolarHBondContact NZ-OD2 3.14Å; K112-D120 VanDerWaalsContact NZ-OD2 3.16Å; S116-D120 WeakPolarHBondContact O-CB 3.31Å; S116-D120 PolarHBondContact O-N 2.9Å; Y117-D120 PolarHBondContact O-N 3.1Å; D120-R122 VanDerWaalsContact C-N 3.3Å; D120-R122 PolarHBondContact O-N 3.34Å; D120-N123 PolarHBondContact O-N 3.25Å; D120-T124 WeakPolarHBondContact O-CB 3.45Å; D120-T124 VanDerWaalsContact O-CG2 3.24Å; D120-T124 WeakPolarHBondContact O-CG2 3.38Å; D120-T124 PolarHBondContact O-N 3.32Å; D120-T124 PolarHBondContact O-OG1 3.27Å |
| 121 | L | 74.2 | Confident | 65.5 | Low | 43 Ų | 43 | 84.1 Ų | 84.1 | 23% | 0.225 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -64 | -34.5 | 174.9 | -168.3 | 65.6 | 0 | 0 | 0 | 112.8 | Y117 L118 L119 T124 I136 L168 | Y117-L121 WeakPolarHBondContact O-CB 3.47Å; Y117-L121 PolarHBondContact O-N 3.46Å; L118-L121 WeakPolarHBondContact O-CB 3.35Å; L118-L121 PolarHBondContact O-N 3.32Å; L119-L121 VanDerWaalsContact C-N 3.34Å; L121-T124 WeakPolarHBondContact CA-OG1 3.43Å; L121-T124 PolarHBondContact O-OG1 3.17Å; L121-I136 HydrophobicContact CB-CD1 4.17Å; L121-I136 HydrophobicContact CD2-CD1 3.92Å; L121-I136 HydrophobicContact CD2-CG1 4.37Å; L121-I136 HydrophobicContact CG-CD1 3.82Å; L121-L168 HydrophobicContact CD2-CD1 4.03Å; L121-L168 HydrophobicContact CD2-CD2 4.25Å |
| 122 | R | 74.1 | Confident | 66.8 | Low | 93 Ų | 93 | 81.9 Ų | 81.9 | 35% | 0.351 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -67.7 | -40.5 | 174.2 | -167.2 | -169.5 | 70.1 | -173.4 | 0.1 | 111.9 | L118 L119 D120 K133 I136 D137 | L118-R122 PolarHBondContact O-N 3.49Å; L119-R122 WeakPolarHBondContact O-CB 3.15Å; L119-R122 PolarHBondContact O-N 3.03Å; D120-R122 VanDerWaalsContact C-N 3.3Å; D120-R122 PolarHBondContact O-N 3.34Å; R122-K133 HydrophobicContact CG-CG 4.01Å; R122-I136 HydrophobicContact CB-CD1 4.45Å; R122-I136 HydrophobicContact CB-CG2 4.02Å; R122-I136 HydrophobicContact CG-CG2 4.49Å; R122-D137 VanDerWaalsContact CD-OD1 3.32Å; R122-D137 WeakPolarHBondContact CD-OD1 3.49Å; R122-D137 IonicContact NH1-OD1 3.82Å |
| 123 | N | 73.3 | Confident | 68 | Low | 103 Ų | 103 | 81.3 Ų | 81.3 | 55% | 0.551 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -86.3 | -23.4 | -173.2 | -63 | -21.6 | 0 | 0 | 0 | 112.7 | L119 D120 S125 | L119-N123 WeakPolarHBondContact O-CB 3.32Å; L119-N123 PolarHBondContact O-N 3.2Å; L119-N123 PolarHBondContact O-ND2 3.04Å; L119-N123 VanDerWaalsContact O-ND2 3.13Å; D120-N123 PolarHBondContact O-N 3.25Å; N123-S125 PolarHBondContact O-N 3.4Å |
| 124 | T | 65.5 | Low | 68.7 | Low | 66 Ų | 66 | 79.7 Ų | 79.7 | 41% | 0.405 | 43% | 0.425 | S | S | . | . | S | Bend | trans | -73.9 | 95.6 | 175 | 48.4 | 0 | 0 | 0 | 0 | 110.1 | D120 L121 T126 | D120-T124 WeakPolarHBondContact O-CB 3.45Å; D120-T124 VanDerWaalsContact O-CG2 3.24Å; D120-T124 WeakPolarHBondContact O-CG2 3.38Å; D120-T124 PolarHBondContact O-N 3.32Å; D120-T124 PolarHBondContact O-OG1 3.27Å; L121-T124 WeakPolarHBondContact CA-OG1 3.43Å; L121-T124 PolarHBondContact O-OG1 3.17Å; T124-T126 VanDerWaalsContact C-N 3.29Å; T124-T126 PolarHBondContact O-N 3.45Å |
| 125 | S | 54.1 | Low | 69.3 | Low | 121 Ų | 121 | 78.1 Ų | 78.1 | 85% | 0.846 | 42% | 0.419 | S | S | * | . | trans | -67.5 | 79.9 | 180 | 64.6 | 0 | 0 | 0 | 0 | 112.2 | N123 | N123-S125 PolarHBondContact O-N 3.4Š| ||
| 126 | T | 56.8 | Low | 69.7 | Low | 50 Ų | 50 | 74.3 Ų | 74.3 | 31% | 0.307 | 41% | 0.405 | S | S | . | . | trans | -78.4 | 161.1 | 153.9 | 59.5 | 0 | 0 | 0 | 0 | 108.4 | T124 F128 R132 | T124-T126 VanDerWaalsContact C-N 3.29Å; T124-T126 PolarHBondContact O-N 3.45Å; T126-F128 PolarHBondContact O-N 3.25Å; T126-F128 WeakPolarHBondContact OG1-CD2 3.18Å; T126-R132 PolarHBondContact OG1-NH2 3.2Å | ||
| 127 | P | 50.3 | Low | 70.2 | Confident | 129 Ų | 129 | 75 Ų | 75 | 84% | 0.838 | 41% | 0.406 | S | S | * | . | S | Bend | trans | -72.3 | 36.3 | -171.9 | 31.1 | -36 | 0 | 0 | 0 | 114 | K129 | P127-K129 PolarHBondContact O-N 3.28Š|
| 128 | F | 55.2 | Low | 70.8 | Confident | 99 Ų | 99 | 73 Ų | 73 | 43% | 0.434 | 41% | 0.406 | S | S | . | . | trans | -104.1 | 53.7 | 179.9 | -75.8 | -99 | 0 | 0 | 0 | 110.3 | T126 G130 R132 | T126-F128 PolarHBondContact O-N 3.25Å; T126-F128 WeakPolarHBondContact OG1-CD2 3.18Å; F128-G130 VanDerWaalsContact C-N 3.31Å; F128-G130 PolarHBondContact O-N 3.01Å; F128-R132 HydrophobicContact CD1-CG 4.42Å; F128-R132 VanDerWaalsContact CE1-NH1 3.29Å; F128-R132 VanDerWaalsContact CG-NE 3.34Å; F128-R132 VanDerWaalsContact CZ-NH2 3.32Å | ||
| 129 | K | 55.1 | Low | 71.3 | Confident | 215 Ų | 215 | 73 Ų | 73 | 94% | 0.935 | 41% | 0.406 | S | S | * | . | trans | -77.4 | 73.2 | -165.3 | -157.3 | 178.3 | -175.3 | -175.3 | 0 | 110.6 | P127 | P127-K129 PolarHBondContact O-N 3.28Š| ||
| 130 | G | 58.5 | Low | 71.7 | Confident | 42 Ų | 42 | 71.6 Ų | 71.6 | 43% | 0.433 | 40% | 0.399 | S | S | . | . | S | Bend | trans | 156 | -75.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 115.1 | F128 R132 K133 | F128-G130 VanDerWaalsContact C-N 3.31Å; F128-G130 PolarHBondContact O-N 3.01Å; G130-R132 VanDerWaalsContact C-N 3.34Å; G130-R132 PolarHBondContact O-N 3.1Å; G130-K133 PolarHBondContact O-N 2.95Å; G130-K133 VanDerWaalsContact O-N 3.11Å |
| 131 | V | 61.5 | Low | 72.2 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 69% | 0.691 | 41% | 0.409 | S | S | * | . | H | α-helix | trans | -58.4 | -41.5 | -168.5 | -178.9 | 0 | 0 | 0 | 0 | 112.6 | K133 L135 | V131-K133 VanDerWaalsContact C-N 3.34Å; V131-K133 PolarHBondContact O-N 2.84Å; V131-L135 PolarHBondContact O-N 2.85Å |
| 132 | R | 71.8 | Confident | 72.8 | Confident | 34 Ų | 34 | 72 Ų | 72 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -75.5 | -19.5 | -177.9 | -62.3 | -157.5 | -66.9 | -162.1 | 6.5 | 114.3 | T126 F128 G130 I136 | T126-R132 PolarHBondContact OG1-NH2 3.2Å; F128-R132 HydrophobicContact CD1-CG 4.42Å; F128-R132 VanDerWaalsContact CE1-NH1 3.29Å; F128-R132 VanDerWaalsContact CG-NE 3.34Å; F128-R132 VanDerWaalsContact CZ-NH2 3.32Å; G130-R132 VanDerWaalsContact C-N 3.34Å; G130-R132 PolarHBondContact O-N 3.1Å; R132-I136 WeakPolarHBondContact O-CB 3.44Å; R132-I136 WeakPolarHBondContact O-CD1 3.38Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.11Å |
| 133 | K | 78.8 | Confident | 73.4 | Confident | 112 Ų | 112 | 68.3 Ų | 68.3 | 49% | 0.487 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -70.5 | -46.4 | 176.9 | -174.9 | 179.3 | 177.3 | -65.1 | 0 | 110.5 | R122 G130 V131 L135 I136 D137 | R122-K133 HydrophobicContact CG-CG 4.01Å; G130-K133 PolarHBondContact O-N 2.95Å; G130-K133 VanDerWaalsContact O-N 3.11Å; V131-K133 VanDerWaalsContact C-N 3.34Å; V131-K133 PolarHBondContact O-N 2.84Å; K133-L135 VanDerWaalsContact C-N 3.28Å; K133-L135 PolarHBondContact O-N 3.41Å; K133-I136 PolarHBondContact O-N 3.27Å; K133-D137 IonicContact NZ-OD2 2.84Å; K133-D137 PolarHBondContact NZ-OD2 3.4Å; K133-D137 WeakPolarHBondContact O-CB 3.16Å; K133-D137 VanDerWaalsContact O-CG 3.22Å; K133-D137 PolarHBondContact O-N 3.15Å |
| 134 | A | 81.9 | Confident | 73.9 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 49% | 0.488 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | D137 T138 | A134-D137 PolarHBondContact O-N 2.84Å; A134-T138 WeakPolarHBondContact O-CB 3.39Å; A134-T138 PolarHBondContact O-N 2.88Å; A134-T138 PolarHBondContact O-OG1 2.91Å |
| 135 | L | 85 | Confident | 74.8 | Confident | 14 Ų | 14 | 65.6 Ų | 65.6 | 7% | 0.073 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.7 | -46 | 175.4 | -170.4 | 69.2 | 0 | 0 | 0 | 112.3 | V131 K133 T138 L139 A164 E167 L168 | V131-L135 PolarHBondContact O-N 2.85Å; K133-L135 VanDerWaalsContact C-N 3.28Å; K133-L135 PolarHBondContact O-N 3.41Å; L135-T138 PolarHBondContact O-N 3.32Å; L135-L139 WeakPolarHBondContact O-CB 3.21Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.49Å; L135-A164 HydrophobicContact CD1-CB 3.76Å; L135-E167 HydrophobicContact CD1-CB 4.21Å; L135-E167 HydrophobicContact CD1-CG 4.39Å; L135-E167 WeakPolarHBondContact CD1-OE2 3.29Å; L135-E167 HydrophobicContact CD2-CB 4.15Å; L135-E167 HydrophobicContact CD2-CG 4.04Å; L135-L168 HydrophobicContact CD2-CB 3.97Å; L135-L168 HydrophobicContact CD2-CD1 4.24Å |
| 136 | I | 84.6 | Confident | 76.2 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 3% | 0.031 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -67 | -40.2 | 177.6 | -68 | 164 | 0 | 0 | 0 | 111.2 | L118 L121 R122 R132 K133 T138 L139 L140 | L118-I136 HydrophobicContact CB-CG2 4.1Å; L118-I136 WeakPolarHBondContact O-CG2 3.48Å; L121-I136 HydrophobicContact CB-CD1 4.17Å; L121-I136 HydrophobicContact CD2-CD1 3.92Å; L121-I136 HydrophobicContact CD2-CG1 4.37Å; L121-I136 HydrophobicContact CG-CD1 3.82Å; R122-I136 HydrophobicContact CB-CD1 4.45Å; R122-I136 HydrophobicContact CB-CG2 4.02Å; R122-I136 HydrophobicContact CG-CG2 4.49Å; R132-I136 WeakPolarHBondContact O-CB 3.44Å; R132-I136 WeakPolarHBondContact O-CD1 3.38Å; R132-I136 WeakPolarHBondContact O-CG1 3.35Å; R132-I136 PolarHBondContact O-N 3.11Å; K133-I136 PolarHBondContact O-N 3.27Å; I136-T138 VanDerWaalsContact C-N 3.34Å; I136-L139 PolarHBondContact O-N 3.43Å; I136-L140 VanDerWaalsContact O-CB 3.3Å; I136-L140 WeakPolarHBondContact O-CB 3.48Å; I136-L140 PolarHBondContact O-N 2.88Å |
| 137 | D | 86.1 | Confident | 77.1 | Confident | 51 Ų | 51 | 67.1 Ų | 67.1 | 27% | 0.273 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -64 | -41 | 176.8 | -70.3 | -25.8 | 0 | 0 | 0 | 110.1 | R122 K133 A134 L140 D141 | R122-D137 VanDerWaalsContact CD-OD1 3.32Å; R122-D137 WeakPolarHBondContact CD-OD1 3.49Å; R122-D137 IonicContact NH1-OD1 3.82Å; K133-D137 IonicContact NZ-OD2 2.84Å; K133-D137 PolarHBondContact NZ-OD2 3.4Å; K133-D137 WeakPolarHBondContact O-CB 3.16Å; K133-D137 VanDerWaalsContact O-CG 3.22Å; K133-D137 PolarHBondContact O-N 3.15Å; A134-D137 PolarHBondContact O-N 2.84Å; D137-L140 PolarHBondContact O-N 3.12Å; D137-D141 WeakPolarHBondContact O-CB 3.39Å; D137-D141 PolarHBondContact O-N 3.23Å |
| 138 | T | 87.8 | Confident | 78.4 | Confident | 75 Ų | 75 | 68.1 Ų | 68.1 | 46% | 0.46 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -65.1 | -41.1 | 175 | -54.7 | 0 | 0 | 0 | 0 | 112.1 | A134 L135 I136 L140 D141 G142 | A134-T138 WeakPolarHBondContact O-CB 3.39Å; A134-T138 PolarHBondContact O-N 2.88Å; A134-T138 PolarHBondContact O-OG1 2.91Å; L135-T138 PolarHBondContact O-N 3.32Å; I136-T138 VanDerWaalsContact C-N 3.34Å; T138-L140 VanDerWaalsContact C-N 3.34Å; T138-D141 PolarHBondContact O-N 2.9Å; T138-G142 PolarHBondContact O-N 3.45Å |
| 139 | L | 87.4 | Confident | 79.4 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 174.9 | -82.6 | 169.6 | 0 | 0 | 0 | 112.5 | L118 L135 I136 Y143 Y161 A164 L165 L168 | L118-L139 HydrophobicContact CD1-CB 4.14Å; L135-L139 WeakPolarHBondContact O-CB 3.21Å; L135-L139 WeakPolarHBondContact O-CG 3.37Å; L135-L139 PolarHBondContact O-N 3.49Å; I136-L139 PolarHBondContact O-N 3.43Å; L139-Y143 VanDerWaalsContact O-CB 3.27Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.39Å; L139-Y161 HydrophobicContact CD2-CD2 3.86Å; L139-Y161 HydrophobicContact CD2-CE2 3.7Å; L139-Y161 WeakPolarHBondContact O-CE2 3.27Å; L139-A164 HydrophobicContact CD2-CB 3.77Å; L139-A164 HydrophobicContact CG-CB 3.81Å; L139-L165 HydrophobicContact CD1-CD2 4.4Å; L139-L165 HydrophobicContact CD2-CB 4.23Å; L139-L165 HydrophobicContact CD2-CD2 3.58Å; L139-L165 HydrophobicContact CD2-CG 3.51Å; L139-L168 HydrophobicContact CD1-CB 4Å; L139-L168 HydrophobicContact CD1-CD2 3.58Å; L139-L168 HydrophobicContact CD1-CG 4.35Å |
| 140 | L | 87 | Confident | 80.2 | Confident | 14 Ų | 14 | 58.1 Ų | 58.1 | 7% | 0.073 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -66.2 | -44.7 | 178.5 | -177 | 64.1 | 0 | 0 | 0 | 110.3 | R115 L119 I136 D137 T138 Y143 E144 | R115-L140 HydrophobicContact CB-CD1 4.21Å; R115-L140 HydrophobicContact CG-CD1 3.74Å; L119-L140 HydrophobicContact CD2-CD2 3.78Å; L119-L140 HydrophobicContact CG-CD2 4.34Å; I136-L140 VanDerWaalsContact O-CB 3.3Å; I136-L140 WeakPolarHBondContact O-CB 3.48Å; I136-L140 PolarHBondContact O-N 2.88Å; D137-L140 PolarHBondContact O-N 3.12Å; T138-L140 VanDerWaalsContact C-N 3.34Å; L140-Y143 PolarHBondContact O-N 2.99Å; L140-E144 WeakPolarHBondContact CG-OE1 3.43Å; L140-E144 WeakPolarHBondContact O-CB 2.96Å; L140-E144 WeakPolarHBondContact O-CG 3.24Å; L140-E144 PolarHBondContact O-N 3.22Å |
| 141 | D | 87.9 | Confident | 80.9 | Confident | 103 Ų | 103 | 58.3 Ų | 58.3 | 55% | 0.551 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -62.7 | -46.5 | 176 | -169.1 | 48.2 | 0 | 0 | 0 | 111.9 | D137 T138 Y143 E144 T145 | D137-D141 WeakPolarHBondContact O-CB 3.39Å; D137-D141 PolarHBondContact O-N 3.23Å; T138-D141 PolarHBondContact O-N 2.9Å; D141-Y143 VanDerWaalsContact C-N 3.31Å; D141-Y143 PolarHBondContact O-N 2.86Å; D141-E144 PolarHBondContact O-N 2.86Å; D141-T145 WeakPolarHBondContact O-CB 3.29Å; D141-T145 WeakPolarHBondContact O-CG2 3.49Å; D141-T145 PolarHBondContact O-N 3.26Å; D141-T145 PolarHBondContact O-OG1 3.4Å |
| 142 | G | 87.2 | Confident | 81.6 | Confident | 11 Ų | 11 | 57 Ų | 57 | 11% | 0.113 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.3 | -37.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | T138 T145 A146 | T138-G142 PolarHBondContact O-N 3.45Å; G142-T145 VanDerWaalsContact CA-OG1 3.29Å; G142-T145 WeakPolarHBondContact CA-OG1 3.19Å; G142-T145 PolarHBondContact O-OG1 2.91Å; G142-A146 WeakPolarHBondContact O-CB 3.14Å; G142-A146 PolarHBondContact O-N 3.3Å |
| 143 | Y | 85.1 | Confident | 82 | Confident | 17 Ų | 17 | 58.5 Ų | 58.5 | 7% | 0.067 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -71.9 | -39.9 | 176 | 176.7 | -91.9 | 0 | 0 | 0 | 112.5 | F114 R115 L139 L140 D141 R147 Y148 | F114-Y143 HydrophobicContact CB-CE2 4.29Å; F114-Y143 HydrophobicContact CD1-CD1 4.45Å; F114-Y143 AromaticContact CD1-CD2 3.51Å; F114-Y143 HydrophobicContact CD1-CD2 3.51Å; F114-Y143 AromaticContact CD1-CE2 3.58Å; F114-Y143 HydrophobicContact CD1-CE2 3.58Å; F114-Y143 AromaticContact CD1-CG 3.96Å; F114-Y143 HydrophobicContact CD1-CG 3.96Å; F114-Y143 AromaticContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CD2 3.87Å; F114-Y143 HydrophobicContact CE1-CE2 4.35Å; F114-Y143 HydrophobicContact CE1-CG 4.25Å; F114-Y143 HydrophobicContact CG-CE2 4.31Å; R115-Y143 HydrophobicContact CB-CE1 4.49Å; L139-Y143 VanDerWaalsContact O-CB 3.27Å; L139-Y143 WeakPolarHBondContact O-CB 3.47Å; L139-Y143 PolarHBondContact O-N 3.39Å; L140-Y143 PolarHBondContact O-N 2.99Å; D141-Y143 VanDerWaalsContact C-N 3.31Å; D141-Y143 PolarHBondContact O-N 2.86Å; Y143-R147 HydrophobicContact CE2-CG 4.43Å; Y143-R147 WeakPolarHBondContact O-CB 3.29Å; Y143-R147 PolarHBondContact O-N 3.34Å; Y143-R147 VanDerWaalsContact O-N 3.12Å; Y143-R147 PolarHBondContact OH-NH1 3.38Å; Y143-Y148 HydrophobicContact CE1-CE2 4.07Å |
| 144 | E | 83.8 | Confident | 82.2 | Confident | 58 Ų | 58 | 54.5 Ų | 54.5 | 27% | 0.271 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -66.1 | -46 | 176.9 | -75.2 | -174.2 | -139.7 | 0 | 0 | 111.5 | R115 L140 D141 Y148 G149 | R115-E144 VanDerWaalsContact CZ-CD 3.47Å; R115-E144 IonicContact CZ-OE1 3.07Å; R115-E144 IonicContact CZ-OE2 2.76Å; R115-E144 IonicContact NE-OE1 2.65Å; R115-E144 IonicContact NH1-OE1 3.59Å; R115-E144 PolarHBondContact NH1-OE1 3.26Å; R115-E144 IonicContact NH1-OE2 3.78Å; R115-E144 PolarHBondContact NH1-OE2 3.13Å; R115-E144 IonicContact NH2-OE1 3.22Å; R115-E144 PolarHBondContact NH2-OE1 2.82Å; R115-E144 IonicContact NH2-OE2 2.89Å; R115-E144 PolarHBondContact NH2-OE2 2.96Å; L140-E144 WeakPolarHBondContact CG-OE1 3.43Å; L140-E144 WeakPolarHBondContact O-CB 2.96Å; L140-E144 WeakPolarHBondContact O-CG 3.24Å; L140-E144 PolarHBondContact O-N 3.22Å; D141-E144 PolarHBondContact O-N 2.86Å; E144-Y148 CarbonylContact O-C 3.5Å; E144-Y148 WeakPolarHBondContact O-CA 3.41Å; E144-Y148 WeakPolarHBondContact O-CB 3.16Å; E144-Y148 PolarHBondContact O-N 2.83Å; E144-G149 PolarHBondContact O-N 3.2Å |
| 145 | T | 85.7 | Confident | 82.3 | Confident | 54 Ų | 54 | 57.5 Ų | 57.5 | 33% | 0.331 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63 | -43 | 175.8 | 48.5 | 0 | 0 | 0 | 0 | 112 | D141 G142 R147 G149 | D141-T145 WeakPolarHBondContact O-CB 3.29Å; D141-T145 WeakPolarHBondContact O-CG2 3.49Å; D141-T145 PolarHBondContact O-N 3.26Å; D141-T145 PolarHBondContact O-OG1 3.4Å; G142-T145 VanDerWaalsContact CA-OG1 3.29Å; G142-T145 WeakPolarHBondContact CA-OG1 3.19Å; G142-T145 PolarHBondContact O-OG1 2.91Å; T145-R147 PolarHBondContact O-N 2.83Å; T145-G149 VanDerWaalsContact O-CA 3.24Å; T145-G149 WeakPolarHBondContact O-CA 3.34Å; T145-G149 PolarHBondContact O-N 2.97Å; T145-G149 VanDerWaalsContact O-N 3.11Å |
| 146 | A | 82 | Confident | 82.3 | Confident | 48 Ų | 48 | 63.1 Ų | 63.1 | 40% | 0.397 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -67.8 | -34.8 | 180 | 0 | 0 | 0 | 0 | 0 | 114.5 | G142 F153 | G142-A146 WeakPolarHBondContact O-CB 3.14Å; G142-A146 PolarHBondContact O-N 3.3Å; A146-F153 HydrophobicContact CB-CD1 4.12Å; A146-F153 HydrophobicContact CB-CD2 3.86Å; A146-F153 HydrophobicContact CB-CE1 3.96Å; A146-F153 HydrophobicContact CB-CE2 3.68Å; A146-F153 HydrophobicContact CB-CG 4.07Å; A146-F153 HydrophobicContact CB-CZ 3.74Å |
| 147 | R | 77 | Confident | 82.3 | Confident | 155 Ų | 155 | 66.9 Ų | 66.9 | 59% | 0.585 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -102.3 | -33.1 | -174.3 | -75.6 | -166.5 | 163.7 | -178.3 | -9.2 | 114.8 | Y143 T145 | Y143-R147 HydrophobicContact CE2-CG 4.43Å; Y143-R147 WeakPolarHBondContact O-CB 3.29Å; Y143-R147 PolarHBondContact O-N 3.34Å; Y143-R147 VanDerWaalsContact O-N 3.12Å; Y143-R147 PolarHBondContact OH-NH1 3.38Å; T145-R147 PolarHBondContact O-N 2.83Å |
| 148 | Y | 76.7 | Confident | 82.2 | Confident | 150 Ų | 150 | 69.4 Ų | 69.4 | 59% | 0.588 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -127.9 | -2.1 | -171.5 | -50.4 | -64.3 | 0 | 0 | 0 | 112.4 | Y143 E144 | Y143-Y148 HydrophobicContact CE1-CE2 4.07Å; E144-Y148 CarbonylContact O-C 3.5Å; E144-Y148 WeakPolarHBondContact O-CA 3.41Å; E144-Y148 WeakPolarHBondContact O-CB 3.16Å; E144-Y148 PolarHBondContact O-N 2.83Å |
| 149 | G | 76.7 | Confident | 82.2 | Confident | 40 Ų | 40 | 69.9 Ų | 69.9 | 41% | 0.412 | 38% | 0.375 | S | S | . | . | trans | -69.3 | 143.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E144 T145 | E144-G149 PolarHBondContact O-N 3.2Å; T145-G149 VanDerWaalsContact O-CA 3.24Å; T145-G149 WeakPolarHBondContact O-CA 3.34Å; T145-G149 PolarHBondContact O-N 2.97Å; T145-G149 VanDerWaalsContact O-N 3.11Å | ||
| 150 | T | 71.3 | Confident | 82.2 | Confident | 63 Ų | 63 | 78.9 Ų | 78.9 | 39% | 0.387 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -92 | -9 | 174.4 | 50.6 | 0 | 0 | 0 | 0 | 112.3 | D71 | D71-T150 HydrophobicContact CB-CG2 3.78Å; D71-T150 WeakPolarHBondContact O-CB 3.43Å |
| 151 | G | 73.6 | Confident | 82.2 | Confident | 47 Ų | 47 | 80.2 Ų | 80.2 | 49% | 0.485 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -89 | 177.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 114 | F153 | G151-F153 PolarHBondContact O-N 3.16Š|
| 152 | V | 75.8 | Confident | 82.1 | Confident | 87 Ų | 87 | 79.9 Ų | 79.9 | 53% | 0.527 | 41% | 0.409 | S | S | . | . | trans | -66.7 | 128.2 | 171.8 | -178.2 | 0 | 0 | 0 | 0 | 108.4 | Y74 | Y74-V152 HydrophobicContact CE1-CG2 4.42Å; Y74-V152 HydrophobicContact CE2-CB 4.38Å; Y74-V152 HydrophobicContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CE2-CG2 3.48Å; Y74-V152 VanDerWaalsContact CZ-CG2 3.42Å; Y74-V152 WeakPolarHBondContact OH-CG2 3.3Å | ||
| 153 | F | 80.8 | Confident | 82.2 | Confident | 64 Ų | 64 | 85.4 Ų | 85.4 | 28% | 0.281 | 43% | 0.432 | S | S | . | . | trans | -114.7 | 98.5 | 164.1 | -171.1 | -86.8 | 0 | 0 | 0 | 107.8 | A146 G151 E157 Y158 | A146-F153 HydrophobicContact CB-CD1 4.12Å; A146-F153 HydrophobicContact CB-CD2 3.86Å; A146-F153 HydrophobicContact CB-CE1 3.96Å; A146-F153 HydrophobicContact CB-CE2 3.68Å; A146-F153 HydrophobicContact CB-CG 4.07Å; A146-F153 HydrophobicContact CB-CZ 3.74Å; G151-F153 PolarHBondContact O-N 3.16Å; F153-E157 WeakPolarHBondContact CA-OE2 3Å; F153-E157 HydrophobicContact CD2-CB 3.7Å; F153-E157 HydrophobicContact CD2-CG 4.41Å; F153-E157 HydrophobicContact CE2-CB 3.48Å; F153-E157 VanDerWaalsContact CE2-CB 3.48Å; F153-E157 HydrophobicContact CG-CB 4.33Å; F153-E157 HydrophobicContact CZ-CB 3.93Å; F153-Y158 HydrophobicContact CE1-CD2 4.25Å | ||
| 154 | G | 82.9 | Confident | 82.3 | Confident | 28 Ų | 28 | 84.9 Ų | 84.9 | 29% | 0.289 | 43% | 0.431 | S | S | . | . | trans | -105.4 | -165.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N156 E157 Y158 | G154-N156 VanDerWaalsContact C-N 3.32Å; G154-N156 PolarHBondContact O-N 3.15Å; G154-E157 PolarHBondContact N-OE2 2.75Å; G154-E157 PolarHBondContact O-N 3.5Å; G154-Y158 WeakPolarHBondContact O-CB 3.39Å; G154-Y158 PolarHBondContact O-N 3.21Å | ||
| 155 | Q | 83.4 | Confident | 82.4 | Confident | 123 Ų | 123 | 85 Ų | 85 | 58% | 0.575 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -61.3 | -38.6 | -174.6 | -172.3 | 63 | 19.2 | 0 | 0 | 113 | Y158 L159 | Q155-Y158 PolarHBondContact O-N 3.25Å; Q155-L159 HydrophobicContact CG-CD1 4.09Å; Q155-L159 HydrophobicContact CG-CG 4.38Å; Q155-L159 WeakPolarHBondContact O-CB 3.37Å; Q155-L159 VanDerWaalsContact O-CG 3.28Å; Q155-L159 WeakPolarHBondContact O-CG 3.43Å; Q155-L159 PolarHBondContact O-N 2.8Å |
| 156 | N | 85.1 | Confident | 82.3 | Confident | 131 Ų | 131 | 85.5 Ų | 85.5 | 70% | 0.701 | 44% | 0.439 | S | S | * | . | H | α-helix | trans | -68.4 | -43.6 | -176.8 | -67.9 | -26.6 | 0 | 0 | 0 | 111.9 | G154 Y158 R160 | G154-N156 VanDerWaalsContact C-N 3.32Å; G154-N156 PolarHBondContact O-N 3.15Å; N156-Y158 VanDerWaalsContact C-N 3.34Å; N156-R160 PolarHBondContact O-N 2.89Å; N156-R160 VanDerWaalsContact O-N 3.16Å |
| 157 | E | 85.4 | Confident | 82.5 | Confident | 86 Ų | 86 | 87.4 Ų | 87.4 | 40% | 0.402 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -66.8 | -39.1 | 174.9 | -65.5 | 112.7 | 172.6 | 0 | 0 | 111.2 | F153 G154 R160 Y161 | F153-E157 WeakPolarHBondContact CA-OE2 3Å; F153-E157 HydrophobicContact CD2-CB 3.7Å; F153-E157 HydrophobicContact CD2-CG 4.41Å; F153-E157 HydrophobicContact CE2-CB 3.48Å; F153-E157 VanDerWaalsContact CE2-CB 3.48Å; F153-E157 HydrophobicContact CG-CB 4.33Å; F153-E157 HydrophobicContact CZ-CB 3.93Å; G154-E157 PolarHBondContact N-OE2 2.75Å; G154-E157 PolarHBondContact O-N 3.5Å; E157-R160 PolarHBondContact O-N 3.03Å; E157-Y161 WeakPolarHBondContact O-CB 3.19Å; E157-Y161 PolarHBondContact O-N 2.69Å |
| 158 | Y | 84.4 | Confident | 82.8 | Confident | 104 Ų | 104 | 80.9 Ų | 80.9 | 41% | 0.408 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 175.7 | 179 | -102.7 | 0 | 0 | 0 | 112.4 | F153 G154 Q155 N156 R160 Y161 Q162 | F153-Y158 HydrophobicContact CE1-CD2 4.25Å; G154-Y158 WeakPolarHBondContact O-CB 3.39Å; G154-Y158 PolarHBondContact O-N 3.21Å; Q155-Y158 PolarHBondContact O-N 3.25Å; N156-Y158 VanDerWaalsContact C-N 3.34Å; Y158-R160 PolarHBondContact O-N 2.74Å; Y158-Y161 WeakPolarHBondContact O-CB 3.46Å; Y158-Y161 PolarHBondContact O-N 3.42Å; Y158-Q162 VanDerWaalsContact CE1-OE1 3.26Å; Y158-Q162 WeakPolarHBondContact O-CB 3.27Å; Y158-Q162 PolarHBondContact O-N 3.04Å |
| 159 | L | 86.8 | Confident | 83.1 | Confident | 84 Ų | 84 | 75.8 Ų | 75.8 | 44% | 0.44 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -61.7 | -43.7 | 179 | -74.3 | 173.5 | 0 | 0 | 0 | 111.6 | Q155 Y161 Q162 E163 | Q155-L159 HydrophobicContact CG-CD1 4.09Å; Q155-L159 HydrophobicContact CG-CG 4.38Å; Q155-L159 WeakPolarHBondContact O-CB 3.37Å; Q155-L159 VanDerWaalsContact O-CG 3.28Å; Q155-L159 WeakPolarHBondContact O-CG 3.43Å; Q155-L159 PolarHBondContact O-N 2.8Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.16Å; L159-Q162 PolarHBondContact O-N 3.08Å; L159-E163 WeakPolarHBondContact O-CB 3.45Å; L159-E163 PolarHBondContact O-N 3.17Å |
| 160 | R | 87.3 | Confident | 83.3 | Confident | 189 Ų | 189 | 78 Ų | 78 | 71% | 0.713 | 41% | 0.411 | S | S | * | . | H | α-helix | trans | -60.5 | -43.2 | 174.4 | -80.2 | -161.4 | -177.9 | -176.6 | 3.5 | 112.4 | N156 E157 Y158 E163 A164 | N156-R160 PolarHBondContact O-N 2.89Å; N156-R160 VanDerWaalsContact O-N 3.16Å; E157-R160 PolarHBondContact O-N 3.03Å; Y158-R160 PolarHBondContact O-N 2.74Å; R160-E163 PolarHBondContact O-N 3.06Å; R160-A164 WeakPolarHBondContact O-CB 3.29Å; R160-A164 PolarHBondContact O-N 3.31Å |
| 161 | Y | 87.5 | Confident | 83.7 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 17% | 0.165 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 177.6 | 176.1 | -104.7 | 0 | 0 | 0 | 111.6 | L139 E157 Y158 L159 A164 L165 | L139-Y161 HydrophobicContact CD2-CD2 3.86Å; L139-Y161 HydrophobicContact CD2-CE2 3.7Å; L139-Y161 WeakPolarHBondContact O-CE2 3.27Å; E157-Y161 WeakPolarHBondContact O-CB 3.19Å; E157-Y161 PolarHBondContact O-N 2.69Å; Y158-Y161 WeakPolarHBondContact O-CB 3.46Å; Y158-Y161 PolarHBondContact O-N 3.42Å; L159-Y161 VanDerWaalsContact C-N 3.34Å; L159-Y161 PolarHBondContact O-N 3.16Å; Y161-A164 PolarHBondContact O-N 3.31Å; Y161-L165 HydrophobicContact CD1-CD1 3.98Å; Y161-L165 HydrophobicContact CE1-CD1 3.36Å; Y161-L165 HydrophobicContact CE1-CG 4.11Å; Y161-L165 HydrophobicContact CE2-CD1 4.47Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.37Å; Y161-L165 PolarHBondContact O-N 3.16Å |
| 162 | Q | 86.4 | Confident | 83.8 | Confident | 96 Ų | 96 | 76.5 Ų | 76.5 | 45% | 0.449 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 177.6 | -175.8 | 179.2 | -5.1 | 0 | 0 | 112.2 | Y158 L159 L165 S166 | Y158-Q162 VanDerWaalsContact CE1-OE1 3.26Å; Y158-Q162 WeakPolarHBondContact O-CB 3.27Å; Y158-Q162 PolarHBondContact O-N 3.04Å; L159-Q162 PolarHBondContact O-N 3.08Å; Q162-L165 WeakPolarHBondContact O-CB 3.43Å; Q162-L165 PolarHBondContact O-N 3.45Å; Q162-S166 PolarHBondContact O-N 2.77Å |
| 163 | E | 88.4 | Confident | 83.8 | Confident | 127 Ų | 127 | 78.6 Ų | 78.6 | 59% | 0.593 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -58.6 | -51 | 175.1 | -177.5 | 176.9 | -158 | 0 | 0 | 110.4 | L159 R160 L165 S166 E167 | L159-E163 WeakPolarHBondContact O-CB 3.45Å; L159-E163 PolarHBondContact O-N 3.17Å; R160-E163 PolarHBondContact O-N 3.06Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.38Å; E163-S166 WeakPolarHBondContact O-CB 3.03Å; E163-S166 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-OG 3.29Å; E163-E167 PolarHBondContact O-N 2.9Å |
| 164 | A | 86.7 | Confident | 83.5 | Confident | 6 Ų | 6 | 78.7 Ų | 78.7 | 5% | 0.05 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.7 | -35.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L135 L139 R160 Y161 L168 | L135-A164 HydrophobicContact CD1-CB 3.76Å; L139-A164 HydrophobicContact CD2-CB 3.77Å; L139-A164 HydrophobicContact CG-CB 3.81Å; R160-A164 WeakPolarHBondContact O-CB 3.29Å; R160-A164 PolarHBondContact O-N 3.31Å; Y161-A164 PolarHBondContact O-N 3.31Å; A164-L168 WeakPolarHBondContact O-CB 3.27Å; A164-L168 PolarHBondContact O-N 3.24Å |
| 165 | L | 85.4 | Confident | 82.7 | Confident | 61 Ų | 61 | 83.2 Ų | 83.2 | 32% | 0.319 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -66.3 | -42.6 | 174.5 | -84.6 | 179.7 | 0 | 0 | 0 | 111.5 | F114 L139 Y161 Q162 E163 E167 L168 A169 | F114-L165 HydrophobicContact CZ-CD2 4.24Å; L139-L165 HydrophobicContact CD1-CD2 4.4Å; L139-L165 HydrophobicContact CD2-CB 4.23Å; L139-L165 HydrophobicContact CD2-CD2 3.58Å; L139-L165 HydrophobicContact CD2-CG 3.51Å; Y161-L165 HydrophobicContact CD1-CD1 3.98Å; Y161-L165 HydrophobicContact CE1-CD1 3.36Å; Y161-L165 HydrophobicContact CE1-CG 4.11Å; Y161-L165 HydrophobicContact CE2-CD1 4.47Å; Y161-L165 HydrophobicContact CE2-CG 4.41Å; Y161-L165 WeakPolarHBondContact O-CG 3.37Å; Y161-L165 PolarHBondContact O-N 3.16Å; Q162-L165 WeakPolarHBondContact O-CB 3.43Å; Q162-L165 PolarHBondContact O-N 3.45Å; E163-L165 VanDerWaalsContact C-N 3.27Å; E163-L165 PolarHBondContact O-N 3.38Å; L165-E167 VanDerWaalsContact C-N 3.34Å; L165-L168 PolarHBondContact O-N 3.33Å; L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.18Å |
| 166 | S | 85.3 | Confident | 81.6 | Confident | 65 Ų | 65 | 82.3 Ų | 82.3 | 46% | 0.455 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 179.4 | 78.5 | 0 | 0 | 0 | 0 | 111.3 | Q162 E163 A169 T170 | Q162-S166 PolarHBondContact O-N 2.77Å; E163-S166 WeakPolarHBondContact O-CB 3.03Å; E163-S166 PolarHBondContact O-N 2.86Å; E163-S166 PolarHBondContact O-OG 3.29Å; S166-A169 PolarHBondContact O-N 3.47Å; S166-T170 WeakPolarHBondContact O-CG2 3.45Å; S166-T170 PolarHBondContact O-N 3.2Å; S166-T170 PolarHBondContact O-OG1 2.91Å |
| 167 | E | 86.4 | Confident | 80.5 | Confident | 88 Ų | 88 | 77.9 Ų | 77.9 | 41% | 0.411 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 176.4 | -169.3 | -174.3 | 159.3 | 0 | 0 | 111.6 | L135 E163 L165 A169 T170 A171 | L135-E167 HydrophobicContact CD1-CB 4.21Å; L135-E167 HydrophobicContact CD1-CG 4.39Å; L135-E167 WeakPolarHBondContact CD1-OE2 3.29Å; L135-E167 HydrophobicContact CD2-CB 4.15Å; L135-E167 HydrophobicContact CD2-CG 4.04Å; E163-E167 PolarHBondContact O-N 2.9Å; L165-E167 VanDerWaalsContact C-N 3.34Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 3.48Å; E167-T170 WeakPolarHBondContact CA-OG1 3.42Å; E167-T170 PolarHBondContact O-N 3.29Å; E167-T170 PolarHBondContact O-OG1 2.74Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.26Å |
| 168 | L | 82.8 | Confident | 79.2 | Confident | 17 Ų | 17 | 77.3 Ų | 77.3 | 9% | 0.089 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -64.2 | -42.1 | 174.7 | -174.9 | 65.3 | 0 | 0 | 0 | 110.7 | L118 L121 L135 L139 A164 L165 A171 V172 | L118-L168 HydrophobicContact CD2-CD2 4.17Å; L121-L168 HydrophobicContact CD2-CD1 4.03Å; L121-L168 HydrophobicContact CD2-CD2 4.25Å; L135-L168 HydrophobicContact CD2-CB 3.97Å; L135-L168 HydrophobicContact CD2-CD1 4.24Å; L139-L168 HydrophobicContact CD1-CB 4Å; L139-L168 HydrophobicContact CD1-CD2 3.58Å; L139-L168 HydrophobicContact CD1-CG 4.35Å; A164-L168 WeakPolarHBondContact O-CB 3.27Å; A164-L168 PolarHBondContact O-N 3.24Å; L165-L168 PolarHBondContact O-N 3.33Å; L168-A171 PolarHBondContact O-N 2.81Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.22Å; L168-V172 PolarHBondContact O-N 2.85Å |
| 169 | A | 81.6 | Confident | 77.9 | Confident | 44 Ų | 44 | 75 Ų | 75 | 36% | 0.364 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -64.2 | -40.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.4 | L165 S166 E167 V172 K173 | L165-A169 WeakPolarHBondContact O-CB 3.31Å; L165-A169 PolarHBondContact O-N 3.18Å; S166-A169 PolarHBondContact O-N 3.47Å; E167-A169 VanDerWaalsContact C-N 3.32Å; E167-A169 PolarHBondContact O-N 3.48Å; A169-V172 PolarHBondContact O-N 2.91Å; A169-K173 WeakPolarHBondContact O-CB 3.27Å; A169-K173 VanDerWaalsContact O-CG 3.29Å; A169-K173 WeakPolarHBondContact O-CG 3.42Å; A169-K173 PolarHBondContact O-N 2.75Å |
| 170 | T | 82.5 | Confident | 76.5 | Confident | 86 Ų | 86 | 77.1 Ų | 77.1 | 53% | 0.528 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 174.8 | 57.5 | 0 | 0 | 0 | 0 | 111 | S166 E167 V172 K173 A174 | S166-T170 WeakPolarHBondContact O-CG2 3.45Å; S166-T170 PolarHBondContact O-N 3.2Å; S166-T170 PolarHBondContact O-OG1 2.91Å; E167-T170 WeakPolarHBondContact CA-OG1 3.42Å; E167-T170 PolarHBondContact O-N 3.29Å; E167-T170 PolarHBondContact O-OG1 2.74Å; T170-V172 VanDerWaalsContact C-N 3.31Å; T170-V172 PolarHBondContact O-N 3.49Å; T170-K173 PolarHBondContact O-N 3.11Å; T170-A174 WeakPolarHBondContact O-CB 3.41Å; T170-A174 PolarHBondContact O-N 3.15Å |
| 171 | A | 78.1 | Confident | 75 | Confident | 25 Ų | 25 | 77.5 Ų | 77.5 | 21% | 0.207 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -63 | -35.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113 | E167 L168 R175 | E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.26Å; L168-A171 PolarHBondContact O-N 2.81Å; A171-R175 PolarHBondContact O-N 3.2Å |
| 172 | V | 75.9 | Confident | 73.5 | Confident | 53 Ų | 53 | 82.7 Ų | 82.7 | 32% | 0.321 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.1 | -45.7 | 174.4 | 171.6 | 0 | 0 | 0 | 0 | 110.9 | L168 A169 T170 A174 R175 I176 | L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.22Å; L168-V172 PolarHBondContact O-N 2.85Å; A169-V172 PolarHBondContact O-N 2.91Å; T170-V172 VanDerWaalsContact C-N 3.31Å; T170-V172 PolarHBondContact O-N 3.49Å; V172-A174 PolarHBondContact O-N 3.3Å; V172-R175 WeakPolarHBondContact O-CB 3.18Å; V172-R175 PolarHBondContact O-N 3.2Å; V172-I176 HydrophobicContact CG1-CD1 4.11Å; V172-I176 WeakPolarHBondContact O-CG1 3.43Å; V172-I176 PolarHBondContact O-N 3.44Å; V172-I176 VanDerWaalsContact O-N 3.15Å |
| 173 | K | 77.4 | Confident | 72 | Confident | 131 Ų | 131 | 84.9 Ų | 84.9 | 57% | 0.57 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 177.7 | -74.8 | 175 | -175.9 | 175 | 0 | 112.7 | A169 T170 R175 I176 G177 | A169-K173 WeakPolarHBondContact O-CB 3.27Å; A169-K173 VanDerWaalsContact O-CG 3.29Å; A169-K173 WeakPolarHBondContact O-CG 3.42Å; A169-K173 PolarHBondContact O-N 2.75Å; T170-K173 PolarHBondContact O-N 3.11Å; K173-R175 PolarHBondContact O-N 2.83Å; K173-I176 PolarHBondContact O-N 3.41Å; K173-I176 VanDerWaalsContact O-N 3.14Å; K173-G177 PolarHBondContact O-N 3.17Å |
| 174 | A | 72.6 | Confident | 70.6 | Confident | 66 Ų | 66 | 84.5 Ų | 84.5 | 55% | 0.545 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -58.3 | -38.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | T170 V172 S178 | T170-A174 WeakPolarHBondContact O-CB 3.41Å; T170-A174 PolarHBondContact O-N 3.15Å; V172-A174 PolarHBondContact O-N 3.3Å; A174-S178 WeakPolarHBondContact O-CB 3.36Å; A174-S178 PolarHBondContact O-N 3.48Å |
| 175 | R | 66.3 | Low | 69.2 | Low | 123 Ų | 123 | 87.4 Ų | 87.4 | 46% | 0.464 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68 | -42 | 174.7 | 177.7 | -177 | 168.2 | -161.3 | -2.8 | 112.8 | A171 V172 K173 G177 S178 S179 | A171-R175 PolarHBondContact O-N 3.2Å; V172-R175 WeakPolarHBondContact O-CB 3.18Å; V172-R175 PolarHBondContact O-N 3.2Å; K173-R175 PolarHBondContact O-N 2.83Å; R175-G177 VanDerWaalsContact C-N 3.26Å; R175-G177 PolarHBondContact O-N 2.85Å; R175-S178 PolarHBondContact O-N 3.46Å; R175-S178 PolarHBondContact O-OG 3.36Å; R175-S179 WeakPolarHBondContact O-CB 3.35Å; R175-S179 PolarHBondContact O-N 2.9Å |
| 176 | I | 61.9 | Low | 67.8 | Low | 105 Ų | 105 | 87.2 Ų | 87.2 | 54% | 0.538 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -60.4 | -42.5 | 177.5 | -65.5 | 166.4 | 0 | 0 | 0 | 109.6 | V172 K173 Q180 | V172-I176 HydrophobicContact CG1-CD1 4.11Å; V172-I176 WeakPolarHBondContact O-CG1 3.43Å; V172-I176 PolarHBondContact O-N 3.44Å; V172-I176 VanDerWaalsContact O-N 3.15Å; K173-I176 PolarHBondContact O-N 3.41Å; K173-I176 VanDerWaalsContact O-N 3.14Å; I176-Q180 PolarHBondContact O-N 2.83Å |
| 177 | G | 60.3 | Low | 66.3 | Low | 37 Ų | 37 | 86.9 Ų | 86.9 | 38% | 0.381 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.3 | -40 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | K173 R175 R181 | K173-G177 PolarHBondContact O-N 3.17Å; R175-G177 VanDerWaalsContact C-N 3.26Å; R175-G177 PolarHBondContact O-N 2.85Å; G177-R181 PolarHBondContact O-N 3.45Å |
| 178 | S | 59.4 | Low | 64.8 | Low | 74 Ų | 74 | 89.7 Ų | 89.7 | 52% | 0.517 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.5 | -37.7 | -179.7 | 86 | 0 | 0 | 0 | 0 | 112.6 | A174 R175 R181 H182 | A174-S178 WeakPolarHBondContact O-CB 3.36Å; A174-S178 PolarHBondContact O-N 3.48Å; R175-S178 PolarHBondContact O-N 3.46Å; R175-S178 PolarHBondContact O-OG 3.36Å; S178-R181 PolarHBondContact O-N 2.91Å; S178-H182 PolarHBondContact O-N 3.34Å; S178-H182 VanDerWaalsContact O-N 3.08Å |
| 179 | S | 57.4 | Low | 63.3 | Low | 57 Ų | 57 | 95.1 Ų | 95.1 | 40% | 0.399 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 177.6 | -156.5 | 0 | 0 | 0 | 0 | 110.8 | R175 R181 H182 H183 | R175-S179 WeakPolarHBondContact O-CB 3.35Å; R175-S179 PolarHBondContact O-N 2.9Å; S179-R181 PolarHBondContact O-N 2.88Å; S179-H182 PolarHBondContact O-N 3.04Å; S179-H183 PolarHBondContact O-CD2 2.84Å; S179-H183 PolarHBondContact O-N 2.93Å |
| 180 | Q | 57.1 | Low | 62 | Low | 127 Ų | 127 | 100.4 Ų | 100.4 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -39.3 | 176.2 | -77.4 | -154.2 | -33.1 | 0 | 0 | 113.2 | I176 H183 Q184 | I176-Q180 PolarHBondContact O-N 2.83Å; Q180-H183 PolarHBondContact O-N 3.48Å; Q180-Q184 WeakPolarHBondContact O-CG 3.28Å; Q180-Q184 PolarHBondContact O-N 3.37Å; Q180-Q184 VanDerWaalsContact O-N 3.14Å |
| 181 | R | 56.2 | Low | 60.3 | Low | 197 Ų | 197 | 101.9 Ų | 101.9 | 74% | 0.743 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.8 | -40 | 175.4 | -75.5 | -176.5 | -175.4 | 178.7 | 1.5 | 112.1 | G177 S178 S179 H183 Q184 S185 | G177-R181 PolarHBondContact O-N 3.45Å; S178-R181 PolarHBondContact O-N 2.91Å; S179-R181 PolarHBondContact O-N 2.88Å; R181-H183 PolarHBondContact O-N 3.27Å; R181-Q184 PolarHBondContact O-N 2.77Å; R181-S185 WeakPolarHBondContact O-CB 3.35Å; R181-S185 PolarHBondContact O-N 2.93Å; R181-S185 PolarHBondContact O-OG 3.29Å |
| 182 | H | 55.9 | Low | 58.7 | Low | 152 Ų | 152 | 108.8 Ų | 108.8 | 70% | 0.704 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -65.9 | -38 | -179.8 | -149.2 | 52.4 | 0 | 0 | 0 | 112.5 | S178 S179 A186 | S178-H182 PolarHBondContact O-N 3.34Å; S178-H182 VanDerWaalsContact O-N 3.08Å; S179-H182 PolarHBondContact O-N 3.04Å; H182-A186 PolarHBondContact O-N 2.98Å |
| 183 | H | 54.8 | Low | 56.9 | Low | 141 Ų | 141 | 111.1 Ų | 111.1 | 65% | 0.653 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.3 | -36.6 | 173.4 | -71.4 | -68.5 | 0 | 0 | 0 | 113 | S179 Q180 R181 A187 | S179-H183 PolarHBondContact O-CD2 2.84Å; S179-H183 PolarHBondContact O-N 2.93Å; Q180-H183 PolarHBondContact O-N 3.48Å; R181-H183 PolarHBondContact O-N 3.27Å; H183-A187 PolarHBondContact O-N 3.4Å |
| 184 | Q | 59.1 | Low | 55.3 | Low | 119 Ų | 119 | 110.5 Ų | 110.5 | 56% | 0.556 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -75.9 | -33.7 | 178.3 | -70.4 | -177.5 | 33.8 | 0 | 0 | 113.3 | Q180 R181 K188 | Q180-Q184 WeakPolarHBondContact O-CG 3.28Å; Q180-Q184 PolarHBondContact O-N 3.37Å; Q180-Q184 VanDerWaalsContact O-N 3.14Å; R181-Q184 PolarHBondContact O-N 2.77Å; Q184-K188 WeakPolarHBondContact O-CG 3.34Å; Q184-K188 PolarHBondContact O-N 3.05Å |
| 185 | S | 57.2 | Low | 53.4 | Low | 67 Ų | 67 | 116.6 Ų | 116.6 | 47% | 0.469 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -68.2 | -43.1 | 175.8 | -62 | 0 | 0 | 0 | 0 | 112 | R181 A187 K188 D189 | R181-S185 WeakPolarHBondContact O-CB 3.35Å; R181-S185 PolarHBondContact O-N 2.93Å; R181-S185 PolarHBondContact O-OG 3.29Å; S185-A187 VanDerWaalsContact C-N 3.27Å; S185-A187 PolarHBondContact O-N 3.32Å; S185-K188 PolarHBondContact O-N 2.93Å; S185-K188 VanDerWaalsContact O-N 3.14Å; S185-D189 PolarHBondContact O-N 2.85Å |
| 186 | A | 55.7 | Low | 52.2 | Low | 58 Ų | 58 | 116.7 Ų | 116.7 | 48% | 0.479 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -65.4 | -28.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | H182 | H182-A186 PolarHBondContact O-N 2.98Å |
| 187 | A | 54.4 | Low | 50.8 | Low | 58 Ų | 58 | 117.2 Ų | 117.2 | 48% | 0.479 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -76.6 | -26.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | H183 S185 T191 | H183-A187 PolarHBondContact O-N 3.4Å; S185-A187 VanDerWaalsContact C-N 3.27Å; S185-A187 PolarHBondContact O-N 3.32Å; A187-T191 PolarHBondContact O-OG1 3.35Å |
| 188 | K | 53.6 | Low | 49.9 | Very low | 147 Ų | 147 | 120.5 Ų | 120.5 | 64% | 0.639 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.4 | -33.3 | 176.7 | -78.1 | 179.4 | 176.6 | -176.3 | 0 | 112.7 | Q184 S185 L190 T191 | Q184-K188 WeakPolarHBondContact O-CG 3.34Å; Q184-K188 PolarHBondContact O-N 3.05Å; S185-K188 PolarHBondContact O-N 2.93Å; S185-K188 VanDerWaalsContact O-N 3.14Å; K188-L190 PolarHBondContact O-N 2.82Å; K188-T191 PolarHBondContact O-N 2.85Å; K188-T191 PolarHBondContact O-OG1 3.36Å |
| 189 | D | 52.8 | Low | 48.7 | Very low | 130 Ų | 130 | 122.8 Ų | 122.8 | 70% | 0.695 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -17 | 176.7 | -70.6 | -18.4 | 0 | 0 | 0 | 113.3 | S185 | S185-D189 PolarHBondContact O-N 2.85Š|
| 190 | L | 52.8 | Low | 47.6 | Very low | 156 Ų | 156 | 126.3 Ų | 126.3 | 82% | 0.817 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | -3.5 | 177.8 | -74.4 | 166.5 | 0 | 0 | 0 | 114.4 | K188 | K188-L190 PolarHBondContact O-N 2.82Š|
| 191 | T | 48 | Very low | 47 | Very low | 116 Ų | 116 | 127.2 Ų | 127.2 | 71% | 0.712 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -109.5 | 0.4 | 179.5 | 30.2 | 0 | 0 | 0 | 0 | 114 | A187 K188 S193 | A187-T191 PolarHBondContact O-OG1 3.35Å; K188-T191 PolarHBondContact O-N 2.85Å; K188-T191 PolarHBondContact O-OG1 3.36Å; T191-S193 VanDerWaalsContact C-N 3.29Å; T191-S193 PolarHBondContact O-N 2.9Å |
| 192 | Q | 43.3 | Very low | 46.1 | Very low | 171 Ų | 171 | 126.8 Ų | 126.8 | 80% | 0.799 | 71% | 0.706 | S | S | * | * | trans | -83.1 | 78.5 | 171.8 | -145.1 | 170.4 | 23 | 0 | 0 | 110 | ||||
| 193 | S | 39.6 | Very low | 45.3 | Very low | 102 Ų | 102 | 124 Ų | 124 | 71% | 0.713 | 70% | 0.699 | S | S | * | * | trans | -69.8 | 127.4 | 165.7 | -174.1 | 0 | 0 | 0 | 0 | 108.9 | T191 E195 | T191-S193 VanDerWaalsContact C-N 3.29Å; T191-S193 PolarHBondContact O-N 2.9Å; S193-E195 PolarHBondContact O-N 3.29Å | ||
| 194 | P | 44 | Very low | 44.7 | Very low | 118 Ų | 118 | 123.4 Ų | 123.4 | 77% | 0.766 | 71% | 0.706 | S | S | * | * | trans | -73.4 | 109.9 | 171.4 | -7 | 23.2 | 0 | 0 | 0 | 108.8 | ||||
| 195 | E | 32.3 | Very low | 43.6 | Very low | 194 Ų | 194 | 127.5 Ų | 127.5 | 91% | 0.907 | 72% | 0.718 | S | S | * | * | trans | -67.5 | 135.4 | 169.7 | -161.8 | 175.2 | 173.5 | 0 | 0 | 109.9 | S193 | S193-E195 PolarHBondContact O-N 3.29Š| ||
| 196 | V | 40.7 | Very low | 42.9 | Very low | 124 Ų | 124 | 131.9 Ų | 131.9 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | -77.5 | 143.3 | -165.2 | -177.1 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 197 | S | 31.6 | Very low | 42.5 | Very low | 116 Ų | 116 | 134.9 Ų | 134.9 | 81% | 0.811 | 75% | 0.749 | S | S | * | * | trans | -150.6 | 148.2 | 143.4 | -80.1 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 198 | P | 42.4 | Very low | 41.5 | Very low | 106 Ų | 106 | 137.5 Ų | 137.5 | 69% | 0.688 | 76% | 0.764 | S | S | * | * | trans | -101.1 | 169.2 | -154.3 | 37.7 | -30.7 | 0 | 0 | 0 | 114 | ||||
| 199 | T | 34.1 | Very low | 40.9 | Very low | 123 Ų | 123 | 136.3 Ų | 136.3 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | 95.5 | 95.5 | 151.1 | -30.3 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 200 | T | 33.5 | Very low | 40.5 | Very low | 130 Ų | 130 | 138.8 Ų | 138.8 | 80% | 0.798 | 78% | 0.782 | S | S | * | * | 165.4 | 128.3 | 107.7 | -67.5 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 201 | I | 44.3 | Very low | 39.9 | Very low | 146 Ų | 146 | 141.4 Ų | 141.4 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -57.6 | 128.4 | 176.9 | -63.6 | 155.8 | 0 | 0 | 0 | 111 | V203 | I201-V203 HydrophobicContact CG2-CG2 4.22Š| ||
| 202 | Q | 38.9 | Very low | 39.5 | Very low | 188 Ų | 188 | 141.5 Ų | 141.5 | 88% | 0.879 | 79% | 0.792 | S | S | * | * | trans | -141.7 | 134.3 | 141.1 | -74 | -147.5 | 11.5 | 0 | 0 | 111.7 | ||||
| 203 | V | 38.3 | Very low | 39.8 | Very low | 94 Ų | 94 | 143.1 Ų | 143.1 | 57% | 0.57 | 80% | 0.796 | S | S | * | * | trans | -88.9 | 128.6 | -171.4 | 174.1 | 0 | 0 | 0 | 0 | 108.7 | I201 Y205 | I201-V203 HydrophobicContact CG2-CG2 4.22Å; V203-Y205 HydrophobicContact CG1-CD2 3.58Å; V203-Y205 HydrophobicContact CG1-CE2 3.21Å | ||
| 204 | T | 42.3 | Very low | 39.7 | Very low | 129 Ų | 129 | 147.3 Ų | 147.3 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | trans | -141.7 | 109.5 | 163.4 | -65.7 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 205 | Y | 36.2 | Very low | 39.7 | Very low | 205 Ų | 205 | 146.3 Ų | 146.3 | 80% | 0.804 | 80% | 0.798 | S | S | * | * | trans | -79.5 | 132.4 | 174.9 | -67.5 | -88.4 | 0 | 0 | 0 | 109.8 | V203 | V203-Y205 HydrophobicContact CG1-CD2 3.58Å; V203-Y205 HydrophobicContact CG1-CE2 3.21Å | ||
| 206 | L | 43 | Very low | 40.5 | Very low | 159 Ų | 159 | 144.4 Ų | 144.4 | 83% | 0.832 | 79% | 0.787 | S | S | * | * | trans | -145.9 | 127.3 | 151.8 | -112.2 | 119.1 | 0 | 0 | 0 | 109.7 | ||||
| 207 | P | 45.8 | Very low | 40.8 | Very low | 120 Ų | 120 | 146 Ų | 146 | 78% | 0.779 | 79% | 0.786 | S | S | * | * | trans | -93 | 134.5 | 180 | 34.9 | -28.3 | 0 | 0 | 0 | 110.2 | ||||
| 208 | S | 34.5 | Very low | 41.4 | Very low | 113 Ų | 113 | 149.3 Ų | 149.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -157.9 | 110.8 | 156.5 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | Q210 | S208-Q210 PolarHBondContact O-N 3.03Š| ||
| 209 | S | 40.8 | Very low | 41.9 | Very low | 123 Ų | 123 | 150.2 Ų | 150.2 | 86% | 0.86 | 79% | 0.785 | S | S | * | * | trans | -72.7 | 112.2 | 176.4 | -64.2 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 210 | Q | 44.2 | Very low | 42.8 | Very low | 181 Ų | 181 | 152 Ų | 152 | 85% | 0.846 | 78% | 0.784 | S | S | * | * | trans | -143.4 | 99.9 | 158.4 | -76.8 | -165.9 | -32.5 | 0 | 0 | 113 | S208 S212 | S208-Q210 PolarHBondContact O-N 3.03Å; Q210-S212 PolarHBondContact O-N 3.36Å | ||
| 211 | K | 39.7 | Very low | 43.4 | Very low | 212 Ų | 212 | 153.8 Ų | 153.8 | 92% | 0.922 | 79% | 0.788 | S | S | * | * | trans | 23.5 | 92 | 144.7 | -60.2 | -178.9 | 179.7 | 176.7 | 0 | 117.5 | K213 | K211-K213 PolarHBondContact O-N 2.94Š| ||
| 212 | S | 40.5 | Very low | 43.5 | Very low | 117 Ų | 117 | 155.6 Ų | 155.6 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -82.2 | 107.6 | 161.8 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | Q210 R214 | Q210-S212 PolarHBondContact O-N 3.36Å; S212-R214 PolarHBondContact O-N 3.05Å | ||
| 213 | K | 48.3 | Very low | 43.9 | Very low | 205 Ų | 205 | 151.5 Ų | 151.5 | 89% | 0.891 | 78% | 0.783 | S | S | * | * | trans | -77.4 | 95.1 | 163.5 | -77.9 | -176.5 | 179.6 | 180 | 0 | 108.3 | K211 A215 | K211-K213 PolarHBondContact O-N 2.94Å; K213-A215 PolarHBondContact O-N 3.33Å; K213-A215 VanDerWaalsContact O-N 3.11Å | ||
| 214 | R | 38.3 | Very low | 44.2 | Very low | 190 Ų | 190 | 157 Ų | 157 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | -56 | 105.8 | 166.3 | -176.8 | 179.8 | -178.2 | 166.7 | 2.1 | 110 | S212 K216 | S212-R214 PolarHBondContact O-N 3.05Å; R214-K216 HydrophobicContact CG-CG 3.99Å; R214-K216 PolarHBondContact O-N 3.16Å; R214-K216 VanDerWaalsContact O-N 3.15Å | ||
| 215 | A | 44.2 | Very low | 44.6 | Very low | 98 Ų | 98 | 159 Ų | 159 | 81% | 0.81 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 99.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 108.2 | K213 H217 | K213-A215 PolarHBondContact O-N 3.33Å; K213-A215 VanDerWaalsContact O-N 3.11Å; A215-H217 PolarHBondContact O-N 3.47Å | ||
| 216 | K | 49.7 | Very low | 45 | Very low | 154 Ų | 154 | 155.6 Ų | 155.6 | 67% | 0.67 | 79% | 0.793 | S | S | * | * | trans | -80.5 | 92.8 | 166.6 | -65.7 | -176.3 | -177.6 | 178 | 0 | 107.6 | R214 | R214-K216 HydrophobicContact CG-CG 3.99Å; R214-K216 PolarHBondContact O-N 3.16Å; R214-K216 VanDerWaalsContact O-N 3.15Å | ||
| 217 | H | 45.9 | Very low | 44.7 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -109.1 | 78.9 | 158.7 | -160.5 | -107.9 | 0 | 0 | 0 | 107.8 | A215 L219 | A215-H217 PolarHBondContact O-N 3.47Å; H217-L219 WeakPolarHBondContact CE1-CD1 3.43Å; H217-L219 PolarHBondContact O-N 3.05Å; H217-L219 VanDerWaalsContact O-N 3.16Å | ||
| 218 | F | 44 | Very low | 44.3 | Very low | 186 Ų | 186 | 160.3 Ų | 160.3 | 82% | 0.816 | 80% | 0.798 | S | S | * | * | trans | -67.6 | 100.4 | 162.9 | -114.2 | -102.8 | 0 | 0 | 0 | 106.1 | ||||
| 219 | L | 54.2 | Low | 44.7 | Very low | 126 Ų | 126 | 161.4 Ų | 161.4 | 66% | 0.66 | 80% | 0.795 | S | S | * | * | trans | -89.8 | 102.8 | 159.4 | -142.7 | 101.5 | 0 | 0 | 0 | 105.7 | H217 L221 | H217-L219 WeakPolarHBondContact CE1-CD1 3.43Å; H217-L219 PolarHBondContact O-N 3.05Å; H217-L219 VanDerWaalsContact O-N 3.16Å; L219-L221 PolarHBondContact O-N 3.47Å | ||
| 220 | E | 51.6 | Low | 44.9 | Very low | 160 Ų | 160 | 161.3 Ų | 161.3 | 75% | 0.748 | 79% | 0.789 | S | S | * | * | trans | -55.2 | 108.6 | 166.5 | -87.4 | -177.1 | 131.3 | 0 | 0 | 108.6 | K222 | E220-K222 VanDerWaalsContact C-N 3.27Å; E220-K222 PolarHBondContact O-N 3.33Å; E220-K222 VanDerWaalsContact O-N 3.08Å | ||
| 221 | L | 47.4 | Very low | 45.1 | Very low | 168 Ų | 168 | 160.7 Ų | 160.7 | 88% | 0.88 | 79% | 0.79 | S | S | * | * | trans | -75 | 88.5 | 159.2 | -82.3 | 154.5 | 0 | 0 | 0 | 107 | L219 S223 | L219-L221 PolarHBondContact O-N 3.47Å; L221-S223 PolarHBondContact O-N 3.29Å | ||
| 222 | K | 46.8 | Very low | 45.2 | Very low | 184 Ų | 184 | 158.3 Ų | 158.3 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -76.6 | 101.2 | 167.5 | -147.3 | 165.6 | -173.2 | 171.4 | 0 | 107.5 | E220 F224 | E220-K222 VanDerWaalsContact C-N 3.27Å; E220-K222 PolarHBondContact O-N 3.33Å; E220-K222 VanDerWaalsContact O-N 3.08Å; K222-F224 PolarHBondContact O-N 2.99Å; K222-F224 VanDerWaalsContact O-N 3.15Å | ||
| 223 | S | 45.9 | Very low | 45.2 | Very low | 102 Ų | 102 | 157.8 Ų | 157.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | -52.2 | 111.2 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 110.2 | L221 K225 | L221-S223 PolarHBondContact O-N 3.29Å; S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.45Å; S223-K225 VanDerWaalsContact O-N 3.1Å | ||
| 224 | F | 44.7 | Very low | 45 | Very low | 210 Ų | 210 | 153.6 Ų | 153.6 | 92% | 0.921 | 77% | 0.771 | S | S | * | * | trans | -83.1 | 82.1 | 169.9 | -150 | -91.1 | 0 | 0 | 0 | 108.2 | K222 | K222-F224 PolarHBondContact O-N 2.99Å; K222-F224 VanDerWaalsContact O-N 3.15Å | ||
| 225 | K | 50.4 | Low | 45.1 | Very low | 169 Ų | 169 | 155.9 Ų | 155.9 | 74% | 0.735 | 80% | 0.796 | S | S | * | * | trans | -128.2 | 137.3 | 165.1 | -164.2 | 89.5 | 176.2 | -174.8 | 0 | 105.3 | S223 | S223-K225 VanDerWaalsContact C-N 3.3Å; S223-K225 PolarHBondContact O-N 3.45Å; S223-K225 VanDerWaalsContact O-N 3.1Å | ||
| 226 | D | 44.1 | Very low | 45.1 | Very low | 135 Ų | 135 | 158.8 Ų | 158.8 | 72% | 0.722 | 80% | 0.795 | S | S | * | * | trans | 91 | 92.3 | 174.3 | -46.2 | -30.4 | 0 | 0 | 0 | 115.8 | ||||
| 227 | N | 37.4 | Very low | 44.9 | Very low | 161 Ų | 161 | 159 Ų | 159 | 86% | 0.861 | 80% | 0.802 | S | S | * | * | trans | -157.1 | 81.6 | 133.5 | -99.9 | -45.9 | 0 | 0 | 0 | 108.7 | ||||
| 228 | Y | 38.3 | Very low | 44.8 | Very low | 217 Ų | 217 | 159.2 Ų | 159.2 | 85% | 0.851 | 81% | 0.806 | S | S | * | * | trans | -101.1 | 140.9 | 153.8 | -95.3 | -85.9 | 0 | 0 | 0 | 107.8 | ||||
| 229 | N | 41.7 | Very low | 44.8 | Very low | 136 Ų | 136 | 157.6 Ų | 157.6 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | 75.6 | 95.7 | 163.2 | -59.7 | -14.5 | 0 | 0 | 0 | 118 | ||||
| 230 | T | 45.5 | Very low | 44.3 | Very low | 120 Ų | 120 | 159.6 Ų | 159.6 | 74% | 0.736 | 82% | 0.815 | S | S | * | * | trans | -142 | 94.3 | 132.2 | -33.6 | 0 | 0 | 0 | 0 | 108.4 | E232 | T230-E232 HydrophobicContact CG2-CG 4.34Å; T230-E232 PolarHBondContact O-N 3.44Å | ||
| 231 | L | 47.6 | Very low | 43.8 | Very low | 168 Ų | 168 | 159.5 Ų | 159.5 | 88% | 0.88 | 82% | 0.819 | S | S | * | * | trans | -70.7 | 96.9 | 161.1 | -69.2 | 170.7 | 0 | 0 | 0 | 106.7 | S233 | L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.34Å; L231-S233 VanDerWaalsContact O-N 3.08Å | ||
| 232 | E | 41.9 | Very low | 43.5 | Very low | 163 Ų | 163 | 158.9 Ų | 158.9 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | -77.6 | 87.8 | 164.5 | -78.8 | -89.8 | 151.2 | 0 | 0 | 107.7 | T230 | T230-E232 HydrophobicContact CG2-CG 4.34Å; T230-E232 PolarHBondContact O-N 3.44Å | ||
| 233 | S | 40.3 | Very low | 43.3 | Very low | 106 Ų | 106 | 157 Ų | 157 | 74% | 0.741 | 82% | 0.816 | S | S | * | * | trans | -78.1 | 109.7 | 150.5 | 167.7 | 0 | 0 | 0 | 0 | 106.9 | L231 | L231-S233 VanDerWaalsContact C-N 3.27Å; L231-S233 PolarHBondContact O-N 3.34Å; L231-S233 VanDerWaalsContact O-N 3.08Å | ||
| 234 | T | 44 | Very low | 43 | Very low | 116 Ų | 116 | 161.6 Ų | 161.6 | 71% | 0.712 | 82% | 0.824 | S | S | * | * | trans | -138.9 | 125.8 | 153.4 | -51 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 235 | L | 40.5 | Very low | 42.9 | Very low | 238 Ų | 238 | 157.2 Ų | 157.2 | 100% | 1.246 | 82% | 0.816 | S | S | * | * | trans | -48.8 | 0 | 169.5 | -75.6 | 148.3 | 0 | 0 | 0 | 113.6 |
Retrieved 235 of 235 residues in 41.4 ms
(Link to these results)