| 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 | 59 | Low | 50.6 | Low | 220 Ų | 220 | 154.9 Ų | 154.9 | 100% | 1.084 | 80% | 0.803 | S | S | * | * | 0 | 94 | 0 | -63 | 166.8 | -177.5 | 0 | 0 | 104.6 | |||||
| 2 | M | 51.2 | Low | 49.6 | Very low | 164 Ų | 164 | 147 Ų | 147 | 81% | 0.808 | 79% | 0.788 | S | S | * | * | 51.8 | 118.5 | 57.6 | -60.9 | 89.5 | 168.3 | 0 | 0 | 111.1 | |||||
| 3 | D | 50 | Low | 48.6 | Very low | 124 Ų | 124 | 143.6 Ų | 143.6 | 66% | 0.663 | 79% | 0.793 | S | S | * | * | cis | -155 | 140.2 | -12.4 | -95.1 | -69.1 | 0 | 0 | 0 | 107 | ||||
| 4 | H | 59.3 | Low | 47.5 | Very low | 188 Ų | 188 | 138.9 Ų | 138.9 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -152.8 | 68.9 | 167.7 | -140.2 | -77.4 | 0 | 0 | 0 | 110.8 | S6 | H4-S6 PolarHBondContact O-N 3.33Å; H4-S6 VanDerWaalsContact O-N 3.08Å | ||
| 5 | L | 54.4 | Low | 46.9 | Very low | 150 Ų | 150 | 135.2 Ų | 135.2 | 79% | 0.785 | 80% | 0.798 | S | S | * | * | trans | -63.1 | 113.2 | 175.9 | -82.9 | 97.1 | 0 | 0 | 0 | 110.2 | L7 | L5-L7 PolarHBondContact O-N 3.19Š| ||
| 6 | S | 48.2 | Very low | 46 | Very low | 100 Ų | 100 | 131.8 Ų | 131.8 | 70% | 0.699 | 80% | 0.8 | S | S | * | * | trans | -67.3 | 109.7 | 178 | -166.4 | 0 | 0 | 0 | 0 | 110.4 | H4 V8 | H4-S6 PolarHBondContact O-N 3.33Å; H4-S6 VanDerWaalsContact O-N 3.08Å; S6-V8 PolarHBondContact O-N 2.77Å | ||
| 7 | L | 48.5 | Very low | 45.4 | Very low | 173 Ų | 173 | 127.9 Ų | 127.9 | 91% | 0.906 | 79% | 0.792 | S | S | * | * | trans | -74.3 | 84.1 | 165.7 | -90.7 | 152.9 | 0 | 0 | 0 | 108.5 | L5 | L5-L7 PolarHBondContact O-N 3.19Š| ||
| 8 | V | 52.3 | Low | 45.5 | Very low | 112 Ų | 112 | 126.3 Ų | 126.3 | 68% | 0.679 | 78% | 0.778 | S | S | * | * | trans | -58.3 | 129.5 | 171.7 | -167.5 | 0 | 0 | 0 | 0 | 108.3 | S6 Y10 | S6-V8 PolarHBondContact O-N 2.77Å; V8-Y10 PolarHBondContact O-N 2.96Å | ||
| 9 | P | 53.7 | Low | 45.4 | Very low | 103 Ų | 103 | 125.6 Ų | 125.6 | 67% | 0.669 | 79% | 0.786 | S | S | * | * | trans | -55.3 | 132.4 | 169.8 | -22.4 | 33.3 | 0 | 0 | 0 | 109.2 | D11 | P9-D11 PolarHBondContact O-N 3.41Š| ||
| 10 | Y | 41.4 | Very low | 45.5 | Very low | 214 Ų | 214 | 124.2 Ų | 124.2 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -73.6 | 97 | 178 | 90.5 | -75.6 | 0 | 0 | 0 | 108.9 | V8 G12 | V8-Y10 PolarHBondContact O-N 2.96Å; Y10-G12 PolarHBondContact O-N 2.72Å | ||
| 11 | D | 38.7 | Very low | 45.6 | Very low | 156 Ų | 156 | 120.3 Ų | 120.3 | 83% | 0.834 | 77% | 0.771 | S | S | * | * | trans | -73.2 | 78.9 | 162.2 | -88.7 | -71.1 | 0 | 0 | 0 | 108.3 | P9 A13 | P9-D11 PolarHBondContact O-N 3.41Å; D11-A13 PolarHBondContact O-N 3.19Å | ||
| 12 | G | 37.8 | Very low | 45.7 | Very low | 60 Ų | 60 | 110.5 Ų | 110.5 | 62% | 0.619 | 73% | 0.726 | S | S | * | * | trans | -69.8 | 56.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y10 G14 | Y10-G12 PolarHBondContact O-N 2.72Å; G12-G14 PolarHBondContact O-N 3.44Å | ||
| 13 | A | 37.7 | Very low | 47.1 | Very low | 103 Ų | 103 | 111 Ų | 111 | 85% | 0.851 | 72% | 0.723 | S | S | * | * | trans | -67.6 | 108 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | D11 | D11-A13 PolarHBondContact O-N 3.19Š| ||
| 14 | G | 33.4 | Very low | 48.8 | Very low | 77 Ų | 77 | 106.5 Ų | 106.5 | 79% | 0.794 | 70% | 0.698 | S | S | * | * | trans | -165.8 | 69.2 | -173.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | G12 | G12-G14 PolarHBondContact O-N 3.44Š| ||
| 15 | G | 37.6 | Very low | 50.2 | Low | 84 Ų | 84 | 102.7 Ų | 102.7 | 87% | 0.866 | 68% | 0.679 | S | S | * | * | trans | 85.6 | 125.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 16 | G | 32.4 | Very low | 51.9 | Low | 81 Ų | 81 | 98.3 Ų | 98.3 | 84% | 0.835 | 65% | 0.654 | S | S | * | * | cis | 117.6 | 76.1 | 12.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 17 | G | 36.5 | Very low | 54 | Low | 65 Ų | 65 | 93.6 Ų | 93.6 | 67% | 0.67 | 62% | 0.621 | S | S | * | * | trans | 79.9 | 119.1 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 18 | D | 47.4 | Very low | 55.9 | Low | 99 Ų | 99 | 89.5 Ų | 89.5 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | cis | -125.5 | 92.3 | 31 | -65.3 | -69.3 | 0 | 0 | 0 | 112.4 | A20 G21 | D18-A20 PolarHBondContact O-N 3.31Å; D18-G21 WeakPolarHBondContact O-CA 3.4Å; D18-G21 PolarHBondContact O-N 3.19Å | ||
| 19 | A | 43.7 | Very low | 57.6 | Low | 114 Ų | 114 | 89.8 Ų | 89.8 | 94% | 0.942 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -11.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | G21 | A19-G21 PolarHBondContact O-N 3.47Š|
| 20 | A | 46.3 | Very low | 59.3 | Low | 97 Ų | 97 | 86.7 Ų | 86.7 | 80% | 0.802 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.4 | 31.5 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | D18 G22 | D18-A20 PolarHBondContact O-N 3.31Å; A20-G22 PolarHBondContact O-N 2.72Å |
| 21 | G | 48.9 | Very low | 61.4 | Low | 43 Ų | 43 | 79.3 Ų | 79.3 | 44% | 0.443 | 54% | 0.538 | S | S | . | . | trans | -63.5 | 93.1 | -159.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | D18 A19 K23 | D18-G21 WeakPolarHBondContact O-CA 3.4Å; D18-G21 PolarHBondContact O-N 3.19Å; A19-G21 PolarHBondContact O-N 3.47Å; G21-K23 PolarHBondContact O-N 3.17Å | ||
| 22 | G | 60.7 | Low | 63.6 | Low | 14 Ų | 14 | 72.3 Ų | 72.3 | 14% | 0.144 | 50% | 0.502 | C | S | . | . | trans | -58.6 | 106.8 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | A20 Y24 A69 | A20-G22 PolarHBondContact O-N 2.72Å; G22-Y24 WeakPolarHBondContact O-CD2 3.42Å; G22-Y24 PolarHBondContact O-N 3.19Å; G22-Y24 VanDerWaalsContact O-N 3.17Å; G22-A69 WeakPolarHBondContact CA-O 3.3Å | ||
| 23 | K | 81 | Confident | 65.9 | Low | 173 Ų | 173 | 72.1 Ų | 72.1 | 75% | 0.752 | 50% | 0.495 | S | S | * | . | trans | -51.2 | 119.3 | -178 | -60.6 | -176.9 | 179.6 | -172.2 | 0 | 109.9 | G21 A69 | G21-K23 PolarHBondContact O-N 3.17Å; K23-A69 HydrophobicContact CB-CB 4.46Å; K23-A69 WeakPolarHBondContact O-CA 3.36Å; K23-A69 WeakPolarHBondContact O-CB 3.46Å; K23-A69 PolarHBondContact O-N 3.35Å | ||
| 24 | Y | 85.9 | Confident | 67.9 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 12% | 0.122 | 47% | 0.472 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 125.6 | 175.4 | -57.9 | -103.9 | 0 | 0 | 0 | 108.1 | G22 Y46 R63 H66 R68 | G22-Y24 WeakPolarHBondContact O-CD2 3.42Å; G22-Y24 PolarHBondContact O-N 3.19Å; G22-Y24 VanDerWaalsContact O-N 3.17Å; Y24-Y46 VanDerWaalsContact CB-CB 3.46Å; Y24-Y46 HydrophobicContact CD2-CD1 4.26Å; Y24-Y46 WeakPolarHBondContact O-CB 3.37Å; Y24-Y46 PolarHBondContact O-N 3.48Å; Y24-R63 HydrophobicContact CD1-CB 4.41Å; Y24-R63 VanDerWaalsContact CD1-O 3.27Å; Y24-R63 WeakPolarHBondContact CD1-O 3.4Å; Y24-R63 HydrophobicContact CE1-CB 4.14Å; Y24-R63 HydrophobicContact CE1-CG 4.28Å; Y24-H66 HydrophobicContact CD1-CB 4.43Å; Y24-R68 HydrophobicContact CD1-CB 4.11Å; Y24-R68 HydrophobicContact CD1-CG 4.42Å; Y24-R68 HydrophobicContact CE1-CB 4.31Å; Y24-R68 HydrophobicContact CE1-CG 4.39Å; Y24-R68 PolarHBondContact OH-NH2 3.36Å |
| 25 | K | 87.3 | Confident | 69.9 | Low | 108 Ų | 108 | 72.9 Ų | 72.9 | 47% | 0.47 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | -131.4 | -175.4 | -59.2 | -171.5 | 171.5 | -165.2 | 0 | 110.9 | G44 Y46 H66 R67 A69 | K25-G44 CarbonylContact C-O 3.49Å; K25-Y46 PolarHBondContact O-N 2.87Å; K25-H66 PolarHBondContact O-ND1 2.93Å; K25-R67 HydrophobicContact CB-CB 4.48Å; K25-R67 PolarHBondContact N-O 3.29Å; K25-A69 HydrophobicContact CD-CB 4.48Å; K25-A69 HydrophobicContact CG-CB 4.24Å |
| 26 | E | 90.2 | Very high | 72.1 | Confident | 57 Ų | 57 | 72.5 Ų | 72.5 | 27% | 0.266 | 47% | 0.466 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.1 | 147.3 | -174.2 | 76 | -73.6 | 179.6 | 0 | 0 | 113.3 | M28 C43 G44 H66 R67 | E26-M28 PolarHBondContact O-N 3.21Å; E26-C43 WeakPolarHBondContact CA-O 3.33Å; E26-G44 PolarHBondContact N-O 3.47Å; E26-H66 VanDerWaalsContact O-CA 3.29Å; E26-H66 WeakPolarHBondContact O-CA 3.39Å; E26-R67 PolarHBondContact O-N 2.83Å; E26-R67 IonicContact OE1-CZ 2.94Å; E26-R67 IonicContact OE1-NE 3.12Å; E26-R67 PolarHBondContact OE1-NE 3.36Å; E26-R67 IonicContact OE1-NH2 2.7Å; E26-R67 PolarHBondContact OE1-NH2 3.37Å; E26-R67 IonicContact OE2-NE 2.69Å |
| 27 | C | 92 | Very high | 74.5 | Confident | 1 Ų | 1 | 70.1 Ų | 70.1 | 1% | 0.007 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68 | 126 | 170.9 | -174.1 | 0 | 0 | 0 | 0 | 110.9 | R29 C43 | C27-R29 VanDerWaalsContact SG-CB 3.59Å; C27-R29 PolarHBondContact SG-N 2.94Å; C27-C43 PolarHBondContact N-O 2.82Å |
| 28 | M | 89.3 | Confident | 76.9 | Confident | 87 Ų | 87 | 72.9 Ų | 72.9 | 43% | 0.429 | 44% | 0.436 | S | S | . | . | trans | -100.4 | 17.1 | 177.2 | -54.1 | -176.1 | -63.9 | 0 | 0 | 112.7 | E26 F40 F65 R67 | E26-M28 PolarHBondContact O-N 3.21Å; M28-F40 WeakPolarHBondContact O-CE1 3.45Å; M28-F65 WeakPolarHBondContact CA-O 3.35Å; M28-F65 WeakPolarHBondContact CB-O 3.36Å; M28-F65 PolarHBondContact N-O 3.36Å; M28-R67 HydrophobicContact CE-CB 4.25Å; M28-R67 HydrophobicContact CG-CB 4.34Å; M28-R67 HydrophobicContact SD-CB 3.85Å; M28-R67 HydrophobicContact SD-CG 4.23Å | ||
| 29 | R | 88.6 | Confident | 78.5 | Confident | 119 Ų | 119 | 70.2 Ų | 70.2 | 45% | 0.449 | 43% | 0.428 | S | S | . | . | trans | -79.1 | 135.3 | 172.4 | -169.4 | 178.7 | -172.1 | 173.7 | 0.1 | 108.9 | C27 H31 F40 C61 F65 | C27-R29 VanDerWaalsContact SG-CB 3.59Å; C27-R29 PolarHBondContact SG-N 2.94Å; R29-H31 PolarHBondContact O-CD2 3.37Å; R29-H31 VanDerWaalsContact O-CD2 3.28Å; R29-H31 PolarHBondContact O-N 3.31Å; R29-F40 WeakPolarHBondContact O-CD1 3.19Å; R29-C61 WeakPolarHBondContact CD-SG 3.38Å; R29-C61 PolarHBondContact NH1-SG 3.47Å; R29-C61 VanDerWaalsContact NH1-SG 3.41Å; R29-F65 HydrophobicContact CB-CB 4.47Å; R29-F65 HydrophobicContact CB-CD1 4.29Å; R29-F65 HydrophobicContact CB-CG 4.5Å | ||
| 30 | N | 89.2 | Confident | 80.2 | Confident | 37 Ų | 37 | 70.8 Ų | 70.8 | 20% | 0.198 | 41% | 0.41 | C | S | . | . | B | Isolated β-bridge | trans | -78.9 | 110.1 | 165.3 | 178.3 | 7.5 | 0 | 0 | 0 | 108.2 | A32 A33 G37 Q38 A39 | N30-A32 PolarHBondContact OD1-N 3.19Å; N30-A33 HydrophobicContact CB-CB 4.05Å; N30-A33 WeakPolarHBondContact O-CB 3.22Å; N30-A33 PolarHBondContact OD1-N 2.61Å; N30-A33 VanDerWaalsContact OD1-N 3.13Å; N30-G37 PolarHBondContact ND2-O 3.38Å; N30-G37 PolarHBondContact OD1-O 2.86Å; N30-Q38 PolarHBondContact ND2-OE1 3.38Å; N30-A39 CarbonylContact C-O 3.33Å; N30-A39 WeakPolarHBondContact CA-O 3.22Å; N30-A39 PolarHBondContact OD1-N 3.05Å; N30-A39 PolarHBondContact OD1-O 2.87Å |
| 31 | H | 85.7 | Confident | 81.1 | Confident | 59 Ų | 59 | 70.8 Ų | 70.8 | 27% | 0.273 | 40% | 0.396 | S | S | . | . | S | Bend | trans | -79.3 | -31.4 | 178.1 | -76.4 | -116.1 | 0 | 0 | 0 | 111.8 | R29 A33 A39 D41 | R29-H31 PolarHBondContact O-CD2 3.37Å; R29-H31 VanDerWaalsContact O-CD2 3.28Å; R29-H31 PolarHBondContact O-N 3.31Å; H31-A33 PolarHBondContact O-N 3.43Å; H31-A39 PolarHBondContact N-O 3.44Å; H31-D41 HydrophobicContact CB-CB 3.72Å; H31-D41 VanDerWaalsContact CG-CB 3.46Å; H31-D41 IonicContact ND1-OD2 3.77Å |
| 32 | A | 85.2 | Confident | 81.8 | Confident | 9 Ų | 9 | 70.6 Ų | 70.6 | 7% | 0.074 | 39% | 0.394 | C | S | . | . | G | 310 helix | trans | -79.7 | 2 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N30 A34 M35 G36 G37 A39 | N30-A32 PolarHBondContact OD1-N 3.19Å; A32-A34 PolarHBondContact O-N 3.14Å; A32-A34 VanDerWaalsContact O-N 3.09Å; A32-M35 HydrophobicContact CB-CE 3.93Å; A32-M35 CarbonylContact O-C 3.4Å; A32-M35 WeakPolarHBondContact O-CA 3.27Å; A32-M35 PolarHBondContact O-N 3.25Å; A32-G36 PolarHBondContact O-N 2.83Å; A32-G37 CarbonylContact C-O 3.54Å; A32-G37 PolarHBondContact O-N 2.89Å; A32-A39 HydrophobicContact CB-CB 3.59Å |
| 33 | A | 85.2 | Confident | 82.5 | Confident | 57 Ų | 57 | 70.9 Ų | 70.9 | 47% | 0.471 | 39% | 0.394 | S | S | . | . | G | 310 helix | trans | -56.4 | -29.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114 | N30 H31 | N30-A33 HydrophobicContact CB-CB 4.05Å; N30-A33 WeakPolarHBondContact O-CB 3.22Å; N30-A33 PolarHBondContact OD1-N 2.61Å; N30-A33 VanDerWaalsContact OD1-N 3.13Å; H31-A33 PolarHBondContact O-N 3.43Å |
| 34 | A | 79.4 | Confident | 82.3 | Confident | 46 Ų | 46 | 65.6 Ų | 65.6 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | G | 310 helix | trans | -74.1 | -30.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A32 G36 | A32-A34 PolarHBondContact O-N 3.14Å; A32-A34 VanDerWaalsContact O-N 3.09Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 2.91Å |
| 35 | M | 76.5 | Confident | 82.3 | Confident | 150 Ų | 150 | 69.8 Ų | 69.8 | 74% | 0.739 | 41% | 0.409 | S | S | * | . | G | 310 helix | trans | -89.7 | 12.5 | 178.5 | -57.6 | -176.2 | -70.8 | 0 | 0 | 112.5 | A32 G37 | A32-M35 HydrophobicContact CB-CE 3.93Å; A32-M35 CarbonylContact O-C 3.4Å; A32-M35 WeakPolarHBondContact O-CA 3.27Å; A32-M35 PolarHBondContact O-N 3.25Å; M35-G37 PolarHBondContact O-N 3.47Å; M35-G37 VanDerWaalsContact O-N 3.11Å |
| 36 | G | 83.8 | Confident | 82.3 | Confident | 76 Ų | 76 | 66.3 Ų | 66.3 | 78% | 0.784 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.6 | -0.8 | -173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | A32 A34 | A32-G36 PolarHBondContact O-N 2.83Å; A34-G36 VanDerWaalsContact C-N 3.28Å; A34-G36 PolarHBondContact O-N 2.91Å |
| 37 | G | 82.3 | Confident | 82.2 | Confident | 31 Ų | 31 | 68.5 Ų | 68.5 | 32% | 0.32 | 41% | 0.405 | S | S | . | . | trans | -90.9 | 176 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | N30 A32 M35 | N30-G37 PolarHBondContact ND2-O 3.38Å; N30-G37 PolarHBondContact OD1-O 2.86Å; A32-G37 CarbonylContact C-O 3.54Å; A32-G37 PolarHBondContact O-N 2.89Å; M35-G37 PolarHBondContact O-N 3.47Å; M35-G37 VanDerWaalsContact O-N 3.11Å | ||
| 38 | Q | 85.6 | Confident | 82 | Confident | 122 Ų | 122 | 71.1 Ų | 71.1 | 57% | 0.57 | 43% | 0.427 | S | S | * | . | trans | -123.2 | 97.7 | 174 | -179 | 56.4 | 58.3 | 0 | 0 | 110.1 | N30 | N30-Q38 PolarHBondContact ND2-OE1 3.38Š| ||
| 39 | A | 81 | Confident | 81.8 | Confident | 44 Ų | 44 | 68.4 Ų | 68.4 | 36% | 0.364 | 42% | 0.416 | S | S | . | . | trans | -132.3 | 113.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 108.9 | N30 H31 A32 D41 | N30-A39 CarbonylContact C-O 3.33Å; N30-A39 WeakPolarHBondContact CA-O 3.22Å; N30-A39 PolarHBondContact OD1-N 3.05Å; N30-A39 PolarHBondContact OD1-O 2.87Å; H31-A39 PolarHBondContact N-O 3.44Å; A32-A39 HydrophobicContact CB-CB 3.59Å; A39-D41 PolarHBondContact O-N 2.97Å | ||
| 40 | F | 80.6 | Confident | 81.6 | Confident | 125 Ų | 125 | 68.3 Ų | 68.3 | 55% | 0.548 | 43% | 0.434 | S | S | . | . | B | Isolated β-bridge | trans | -82 | 96.4 | 164 | -60.6 | -72.9 | 0 | 0 | 0 | 106.5 | M28 R29 G42 | M28-F40 WeakPolarHBondContact O-CE1 3.45Å; R29-F40 WeakPolarHBondContact O-CD1 3.19Å; F40-G42 PolarHBondContact O-N 2.99Å |
| 41 | D | 63.8 | Low | 81.3 | Confident | 97 Ų | 97 | 72.3 Ų | 72.3 | 52% | 0.519 | 46% | 0.462 | S | S | . | . | trans | -71.3 | 75.8 | 172.2 | -175.2 | 20.9 | 0 | 0 | 0 | 108.5 | H31 A39 C43 | H31-D41 HydrophobicContact CB-CB 3.72Å; H31-D41 VanDerWaalsContact CG-CB 3.46Å; H31-D41 IonicContact ND1-OD2 3.77Å; A39-D41 PolarHBondContact O-N 2.97Å; D41-C43 PolarHBondContact O-N 3.24Å | ||
| 42 | G | 65.3 | Low | 81.2 | Confident | 39 Ų | 39 | 73 Ų | 73 | 40% | 0.402 | 47% | 0.468 | S | S | . | . | trans | -86.1 | 91.2 | -168.5 | 0 | 0 | 0 | 0 | 0 | 110.7 | F40 G44 | F40-G42 PolarHBondContact O-N 2.99Å; G42-G44 PolarHBondContact O-N 3.42Å; G42-G44 VanDerWaalsContact O-N 3.1Å | ||
| 43 | C | 75.1 | Confident | 81.3 | Confident | 21 Ų | 21 | 77 Ų | 77 | 14% | 0.142 | 49% | 0.492 | C | S | . | . | trans | -50.7 | 119.1 | 149.5 | 45.7 | 0 | 0 | 0 | 0 | 108.3 | E26 C27 D41 E45 C56 A58 C59 H66 | E26-C43 WeakPolarHBondContact CA-O 3.33Å; C27-C43 PolarHBondContact N-O 2.82Å; D41-C43 PolarHBondContact O-N 3.24Å; C43-E45 PolarHBondContact O-N 3.23Å; C43-E45 VanDerWaalsContact O-N 3.15Å; C43-C56 VanDerWaalsContact SG-SG 3.61Å; C43-A58 HydrophobicContact CB-CB 3.58Å; C43-C59 VanDerWaalsContact SG-CB 3.6Å; C43-C59 PolarHBondContact SG-SG 2.99Å; C43-H66 PolarHBondContact SG-CE1 2.84Å | ||
| 44 | G | 77.3 | Confident | 81.6 | Confident | 62 Ų | 62 | 77.8 Ų | 77.8 | 64% | 0.639 | 49% | 0.487 | S | S | * | . | S | Bend | trans | -64.8 | -22 | -166.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | K25 E26 G42 | K25-G44 CarbonylContact C-O 3.49Å; E26-G44 PolarHBondContact N-O 3.47Å; G42-G44 PolarHBondContact O-N 3.42Å; G42-G44 VanDerWaalsContact O-N 3.1Å |
| 45 | E | 84.2 | Confident | 82.2 | Confident | 118 Ų | 118 | 80.2 Ų | 80.2 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | S | Bend | trans | -140.6 | 156.4 | 171.3 | 63.8 | -175.9 | 175.3 | 0 | 0 | 111.3 | C43 M47 | C43-E45 PolarHBondContact O-N 3.23Å; C43-E45 VanDerWaalsContact O-N 3.15Å; E45-M47 HydrophobicContact CG-CE 4.06Å; E45-M47 HydrophobicContact CG-CG 4.41Å; E45-M47 PolarHBondContact O-N 2.92Å; E45-M47 VanDerWaalsContact OE1-CE 3.23Å; E45-M47 WeakPolarHBondContact OE1-CE 3.44Å |
| 46 | Y | 87.4 | Confident | 82.8 | Confident | 35 Ų | 35 | 73.1 Ų | 73.1 | 14% | 0.137 | 46% | 0.455 | C | S | . | . | trans | -78 | 106.6 | 173.8 | 179.9 | -99.2 | 0 | 0 | 0 | 111.1 | Y24 K25 A48 T53 L54 K55 C56 R63 H66 | Y24-Y46 VanDerWaalsContact CB-CB 3.46Å; Y24-Y46 HydrophobicContact CD2-CD1 4.26Å; Y24-Y46 WeakPolarHBondContact O-CB 3.37Å; Y24-Y46 PolarHBondContact O-N 3.48Å; K25-Y46 PolarHBondContact O-N 2.87Å; Y46-A48 HydrophobicContact CE1-CB 3.87Å; Y46-T53 PolarHBondContact OH-O 2.93Å; Y46-L54 WeakPolarHBondContact OH-CA 3.2Å; Y46-L54 PolarHBondContact OH-O 3.4Å; Y46-K55 PolarHBondContact OH-N 2.83Å; Y46-K55 VanDerWaalsContact OH-N 3.09Å; Y46-K55 PolarHBondContact OH-O 3.09Å; Y46-C56 HydrophobicContact CD2-CB 3.83Å; Y46-C56 HydrophobicContact CE2-CB 3.86Å; Y46-R63 HydrophobicContact CD2-CB 4.16Å; Y46-R63 HydrophobicContact CE1-CB 4.16Å; Y46-R63 HydrophobicContact CE2-CB 3.56Å; Y46-H66 AromaticContact CD2-CD2 3.74Å; Y46-H66 AromaticContact CD2-CE1 3.82Å; Y46-H66 AromaticContact CD2-CG 3.91Å; Y46-H66 AromaticContact CD2-ND1 3.99Å; Y46-H66 AromaticContact CD2-NE2 3.69Å | ||
| 47 | M | 88.4 | Confident | 83.1 | Confident | 103 Ų | 103 | 72.6 Ų | 72.6 | 51% | 0.507 | 44% | 0.443 | S | S | . | . | P | Polyproline II helix | trans | -94.1 | 121.6 | 164.3 | -62.2 | 179.2 | 179.2 | 0 | 0 | 109 | E45 C56 A57 | E45-M47 HydrophobicContact CG-CE 4.06Å; E45-M47 HydrophobicContact CG-CG 4.41Å; E45-M47 PolarHBondContact O-N 2.92Å; E45-M47 VanDerWaalsContact OE1-CE 3.23Å; E45-M47 WeakPolarHBondContact OE1-CE 3.44Å; M47-C56 CarbonylContact O-C 3.57Å; M47-C56 VanDerWaalsContact O-CA 3.22Å; M47-C56 WeakPolarHBondContact O-CA 3.36Å; M47-A57 HydrophobicContact CB-CB 4.34Å; M47-A57 PolarHBondContact O-N 3.07Å |
| 48 | A | 88.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 74.6 Ų | 74.6 | 47% | 0.471 | 46% | 0.456 | S | S | . | . | B | Isolated β-bridge | trans | -71.8 | 131.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | Y46 | Y46-A48 HydrophobicContact CE1-CB 3.87Å |
| 49 | S | 86.2 | Confident | 83.7 | Confident | 29 Ų | 29 | 69.8 Ų | 69.8 | 20% | 0.203 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -74 | 143 | 167 | 51.8 | 0 | 0 | 0 | 0 | 111.1 | P51 D52 T53 K55 | S49-P51 CarbonylContact O-C 3.58Å; S49-D52 CarbonylContact O-C 2.93Å; S49-D52 PolarHBondContact O-N 3.11Å; S49-D52 PolarHBondContact OG-O 2.87Å; S49-T53 PolarHBondContact O-N 3.35Å; S49-K55 PolarHBondContact N-O 2.98Å; S49-K55 PolarHBondContact OG-O 3.21Å |
| 50 | S | 82.8 | Confident | 84.1 | Confident | 117 Ų | 117 | 70 Ų | 70 | 82% | 0.818 | 44% | 0.443 | S | S | * | . | S | Bend | trans | -92.5 | 138.8 | 164.2 | 50.2 | 0 | 0 | 0 | 0 | 110 | ||
| 51 | P | 83.6 | Confident | 84.6 | Confident | 122 Ų | 122 | 64.1 Ų | 64.1 | 79% | 0.792 | 42% | 0.417 | S | S | * | . | S | Bend | cis | -79.3 | -13.9 | -4.6 | 33.9 | -36.3 | 0 | 0 | 0 | 114.4 | S49 T53 | S49-P51 CarbonylContact O-C 3.58Å; P51-T53 PolarHBondContact O-N 3.5Å |
| 52 | D | 83.5 | Confident | 85.9 | Confident | 74 Ų | 74 | 63 Ų | 63 | 40% | 0.396 | 41% | 0.408 | S | S | . | . | trans | -75.9 | 78.3 | -173.8 | -81.5 | -8.7 | 0 | 0 | 0 | 113.2 | S49 L54 K55 | S49-D52 CarbonylContact O-C 2.93Å; S49-D52 PolarHBondContact O-N 3.11Å; S49-D52 PolarHBondContact OG-O 2.87Å; D52-L54 PolarHBondContact O-N 2.83Å; D52-K55 HydrophobicContact CB-CB 4.36Å; D52-K55 HydrophobicContact CB-CD 4Å; D52-K55 HydrophobicContact CB-CG 4.29Å; D52-K55 PolarHBondContact O-N 3.06Å; D52-K55 WeakPolarHBondContact OD2-CD 3.46Å; D52-K55 VanDerWaalsContact OD2-CE 3.24Å; D52-K55 WeakPolarHBondContact OD2-CE 3.19Å; D52-K55 IonicContact OD2-NZ 3.84Å; D52-K55 PolarHBondContact OD2-NZ 3.24Å | ||
| 53 | T | 88.3 | Confident | 87.1 | Confident | 93 Ų | 93 | 64.7 Ų | 64.7 | 57% | 0.571 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -7 | -179 | 64.5 | 0 | 0 | 0 | 0 | 115 | Y46 S49 P51 | Y46-T53 PolarHBondContact OH-O 2.93Å; S49-T53 PolarHBondContact O-N 3.35Å; P51-T53 PolarHBondContact O-N 3.5Å |
| 54 | L | 89.9 | Confident | 87.8 | Confident | 72 Ų | 72 | 67.5 Ų | 67.5 | 38% | 0.377 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -12.4 | 177.7 | -62.4 | -176.8 | 0 | 0 | 0 | 114.5 | Y46 D52 H62 R63 | Y46-L54 WeakPolarHBondContact OH-CA 3.2Å; Y46-L54 PolarHBondContact OH-O 3.4Å; D52-L54 PolarHBondContact O-N 2.83Å; L54-H62 CarbonylContact O-C 3.47Å; L54-H62 VanDerWaalsContact O-CA 3.24Å; L54-H62 WeakPolarHBondContact O-CA 3.42Å; L54-H62 PolarHBondContact O-CD2 3.13Å; L54-R63 VanDerWaalsContact CD2-NE 3.34Å; L54-R63 PolarHBondContact O-N 2.86Å |
| 55 | K | 92 | Very high | 88.3 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 42% | 0.422 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -110.7 | 145 | -179.8 | -65.7 | 173.6 | -173.6 | 162.9 | 0 | 111.3 | Y46 S49 D52 | Y46-K55 PolarHBondContact OH-N 2.83Å; Y46-K55 VanDerWaalsContact OH-N 3.09Å; Y46-K55 PolarHBondContact OH-O 3.09Å; S49-K55 PolarHBondContact N-O 2.98Å; S49-K55 PolarHBondContact OG-O 3.21Å; D52-K55 HydrophobicContact CB-CB 4.36Å; D52-K55 HydrophobicContact CB-CD 4Å; D52-K55 HydrophobicContact CB-CG 4.29Å; D52-K55 PolarHBondContact O-N 3.06Å; D52-K55 WeakPolarHBondContact OD2-CD 3.46Å; D52-K55 VanDerWaalsContact OD2-CE 3.24Å; D52-K55 WeakPolarHBondContact OD2-CE 3.19Å; D52-K55 IonicContact OD2-NZ 3.84Å; D52-K55 PolarHBondContact OD2-NZ 3.24Å |
| 56 | C | 90.6 | Very high | 88.7 | Confident | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.014 | 39% | 0.385 | C | S | . | . | B | Isolated β-bridge | trans | -76.6 | 127.4 | 172.5 | -174.1 | 0 | 0 | 0 | 0 | 110.4 | C43 Y46 M47 A58 G60 C61 H66 | C43-C56 VanDerWaalsContact SG-SG 3.61Å; Y46-C56 HydrophobicContact CD2-CB 3.83Å; Y46-C56 HydrophobicContact CE2-CB 3.86Å; M47-C56 CarbonylContact O-C 3.57Å; M47-C56 VanDerWaalsContact O-CA 3.22Å; M47-C56 WeakPolarHBondContact O-CA 3.36Å; C56-A58 VanDerWaalsContact C-N 3.25Å; C56-A58 PolarHBondContact O-N 3.22Å; C56-G60 WeakPolarHBondContact O-CA 3.25Å; C56-G60 PolarHBondContact O-N 3.09Å; C56-C61 WeakPolarHBondContact CB-O 3.31Å; C56-C61 PolarHBondContact N-O 3.39Å; C56-H66 WeakPolarHBondContact CB-NE2 3.33Å |
| 57 | A | 90.1 | Very high | 88.7 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 54% | 0.537 | 40% | 0.402 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -30.1 | 177 | 0 | 0 | 0 | 0 | 0 | 113.2 | M47 | M47-A57 HydrophobicContact CB-CB 4.34Å; M47-A57 PolarHBondContact O-N 3.07Å |
| 58 | A | 88.8 | Confident | 88.7 | Confident | 72 Ų | 72 | 69.9 Ų | 69.9 | 60% | 0.595 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -50.9 | -177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | C43 C56 | C43-A58 HydrophobicContact CB-CB 3.58Å; C56-A58 VanDerWaalsContact C-N 3.25Å; C56-A58 PolarHBondContact O-N 3.22Å |
| 59 | C | 90.3 | Very high | 88.1 | Confident | 21 Ų | 21 | 68.1 Ų | 68.1 | 14% | 0.142 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.2 | 2.2 | -173 | 74.2 | 0 | 0 | 0 | 0 | 114.3 | C43 C61 | C43-C59 VanDerWaalsContact SG-CB 3.6Å; C43-C59 PolarHBondContact SG-SG 2.99Å; C59-C61 PolarHBondContact O-N 3.36Å; C59-C61 PolarHBondContact O-SG 2.98Å; C59-C61 VanDerWaalsContact O-SG 3.38Å; C59-C61 WeakPolarHBondContact SG-CB 3.36Å; C59-C61 PolarHBondContact SG-N 2.99Å |
| 60 | G | 89.3 | Confident | 87.2 | Confident | 50 Ų | 50 | 74.4 Ų | 74.4 | 52% | 0.515 | 42% | 0.42 | S | S | . | . | trans | 65.3 | -0.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | C56 | C56-G60 WeakPolarHBondContact O-CA 3.25Å; C56-G60 PolarHBondContact O-N 3.09Å | ||
| 61 | C | 91 | Very high | 85.9 | Confident | 1 Ų | 1 | 72.3 Ų | 72.3 | 1% | 0.007 | 41% | 0.41 | C | S | . | . | trans | -78.7 | 148.2 | -174.4 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | R29 C56 C59 F65 | R29-C61 WeakPolarHBondContact CD-SG 3.38Å; R29-C61 PolarHBondContact NH1-SG 3.47Å; R29-C61 VanDerWaalsContact NH1-SG 3.41Å; C56-C61 WeakPolarHBondContact CB-O 3.31Å; C56-C61 PolarHBondContact N-O 3.39Å; C59-C61 PolarHBondContact O-N 3.36Å; C59-C61 PolarHBondContact O-SG 2.98Å; C59-C61 VanDerWaalsContact O-SG 3.38Å; C59-C61 WeakPolarHBondContact SG-CB 3.36Å; C59-C61 PolarHBondContact SG-N 2.99Å; C61-F65 HydrophobicContact CB-CB 4.19Å; C61-F65 HydrophobicContact CB-CD2 4.19Å; C61-F65 HydrophobicContact CB-CG 4.48Å | ||
| 62 | H | 91.8 | Very high | 84.1 | Confident | 72 Ų | 72 | 71.3 Ų | 71.3 | 33% | 0.333 | 41% | 0.412 | S | S | . | . | B | Isolated β-bridge | trans | -63.7 | 144.6 | 173.8 | -175.5 | -107.1 | 0 | 0 | 0 | 111.2 | L54 S64 F65 | L54-H62 CarbonylContact O-C 3.47Å; L54-H62 VanDerWaalsContact O-CA 3.24Å; L54-H62 WeakPolarHBondContact O-CA 3.42Å; L54-H62 PolarHBondContact O-CD2 3.13Å; H62-S64 WeakPolarHBondContact ND1-CB 3.43Å; H62-S64 PolarHBondContact ND1-N 2.93Å; H62-S64 PolarHBondContact ND1-OG 3.15Å; H62-S64 PolarHBondContact O-N 3.32Å; H62-F65 HydrophobicContact CB-CD2 3.91Å; H62-F65 HydrophobicContact CB-CE2 4.07Å; H62-F65 WeakPolarHBondContact O-CB 3.32Å; H62-F65 WeakPolarHBondContact O-CD2 3.28Å; H62-F65 PolarHBondContact O-N 2.98Å |
| 63 | R | 90.6 | Very high | 82.1 | Confident | 76 Ų | 76 | 72.3 Ų | 72.3 | 29% | 0.287 | 43% | 0.43 | S | S | . | . | G | 310 helix | trans | -49.1 | -27.6 | -179.4 | 69.2 | -174.8 | -177.2 | 179.2 | 1.4 | 115 | Y24 Y46 L54 F65 H66 | Y24-R63 HydrophobicContact CD1-CB 4.41Å; Y24-R63 VanDerWaalsContact CD1-O 3.27Å; Y24-R63 WeakPolarHBondContact CD1-O 3.4Å; Y24-R63 HydrophobicContact CE1-CB 4.14Å; Y24-R63 HydrophobicContact CE1-CG 4.28Å; Y46-R63 HydrophobicContact CD2-CB 4.16Å; Y46-R63 HydrophobicContact CE1-CB 4.16Å; Y46-R63 HydrophobicContact CE2-CB 3.56Å; L54-R63 VanDerWaalsContact CD2-NE 3.34Å; L54-R63 PolarHBondContact O-N 2.86Å; R63-F65 VanDerWaalsContact C-N 3.26Å; R63-F65 PolarHBondContact O-N 3.04Å; R63-H66 PolarHBondContact O-N 2.76Å; R63-H66 VanDerWaalsContact O-N 3.16Å |
| 64 | S | 89.4 | Confident | 80.1 | Confident | 79 Ų | 79 | 72.5 Ų | 72.5 | 55% | 0.552 | 44% | 0.435 | S | S | * | . | G | 310 helix | trans | -69.3 | -17.1 | 176.9 | 64.2 | 0 | 0 | 0 | 0 | 114.8 | H62 H66 | H62-S64 WeakPolarHBondContact ND1-CB 3.43Å; H62-S64 PolarHBondContact ND1-N 2.93Å; H62-S64 PolarHBondContact ND1-OG 3.15Å; H62-S64 PolarHBondContact O-N 3.32Å; S64-H66 VanDerWaalsContact C-N 3.33Å |
| 65 | F | 88.9 | Confident | 77.9 | Confident | 87 Ų | 87 | 75.6 Ų | 75.6 | 38% | 0.382 | 46% | 0.459 | S | S | . | . | G | 310 helix | trans | -81.3 | -16 | 172.4 | -67.7 | -74.9 | 0 | 0 | 0 | 112.3 | M28 R29 C61 H62 R63 | M28-F65 WeakPolarHBondContact CA-O 3.35Å; M28-F65 WeakPolarHBondContact CB-O 3.36Å; M28-F65 PolarHBondContact N-O 3.36Å; R29-F65 HydrophobicContact CB-CB 4.47Å; R29-F65 HydrophobicContact CB-CD1 4.29Å; R29-F65 HydrophobicContact CB-CG 4.5Å; C61-F65 HydrophobicContact CB-CB 4.19Å; C61-F65 HydrophobicContact CB-CD2 4.19Å; C61-F65 HydrophobicContact CB-CG 4.48Å; H62-F65 HydrophobicContact CB-CD2 3.91Å; H62-F65 HydrophobicContact CB-CE2 4.07Å; H62-F65 WeakPolarHBondContact O-CB 3.32Å; H62-F65 WeakPolarHBondContact O-CD2 3.28Å; H62-F65 PolarHBondContact O-N 2.98Å; R63-F65 VanDerWaalsContact C-N 3.26Å; R63-F65 PolarHBondContact O-N 3.04Å |
| 66 | H | 91.2 | Very high | 75.3 | Confident | 5 Ų | 5 | 76.2 Ų | 76.2 | 2% | 0.023 | 48% | 0.475 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 143.1 | 176.3 | -71.1 | -118.8 | 0 | 0 | 0 | 111 | Y24 K25 E26 C43 Y46 C56 R63 S64 R68 | Y24-H66 HydrophobicContact CD1-CB 4.43Å; K25-H66 PolarHBondContact O-ND1 2.93Å; E26-H66 VanDerWaalsContact O-CA 3.29Å; E26-H66 WeakPolarHBondContact O-CA 3.39Å; C43-H66 PolarHBondContact SG-CE1 2.84Å; Y46-H66 AromaticContact CD2-CD2 3.74Å; Y46-H66 AromaticContact CD2-CE1 3.82Å; Y46-H66 AromaticContact CD2-CG 3.91Å; Y46-H66 AromaticContact CD2-ND1 3.99Å; Y46-H66 AromaticContact CD2-NE2 3.69Å; C56-H66 WeakPolarHBondContact CB-NE2 3.33Å; R63-H66 PolarHBondContact O-N 2.76Å; R63-H66 VanDerWaalsContact O-N 3.16Å; S64-H66 VanDerWaalsContact C-N 3.33Å; H66-R68 PolarHBondContact O-N 2.97Å |
| 67 | R | 88.3 | Confident | 73.3 | Confident | 131 Ų | 131 | 80.3 Ų | 80.3 | 49% | 0.494 | 51% | 0.509 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.4 | 111.1 | 175.6 | -167.9 | -166.9 | -54 | -108.6 | -0.4 | 109.4 | K25 E26 M28 A69 | K25-R67 HydrophobicContact CB-CB 4.48Å; K25-R67 PolarHBondContact N-O 3.29Å; E26-R67 PolarHBondContact O-N 2.83Å; E26-R67 IonicContact OE1-CZ 2.94Å; E26-R67 IonicContact OE1-NE 3.12Å; E26-R67 PolarHBondContact OE1-NE 3.36Å; E26-R67 IonicContact OE1-NH2 2.7Å; E26-R67 PolarHBondContact OE1-NH2 3.37Å; E26-R67 IonicContact OE2-NE 2.69Å; M28-R67 HydrophobicContact CE-CB 4.25Å; M28-R67 HydrophobicContact CG-CB 4.34Å; M28-R67 HydrophobicContact SD-CB 3.85Å; M28-R67 HydrophobicContact SD-CG 4.23Å; R67-A69 PolarHBondContact O-N 3.21Å |
| 68 | R | 88.4 | Confident | 71.7 | Confident | 145 Ų | 145 | 82.6 Ų | 82.6 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.9 | 118.5 | 172.1 | -172.3 | 176 | -73.4 | 173.7 | -6 | 108.8 | Y24 H66 L70 | Y24-R68 HydrophobicContact CD1-CB 4.11Å; Y24-R68 HydrophobicContact CD1-CG 4.42Å; Y24-R68 HydrophobicContact CE1-CB 4.31Å; Y24-R68 HydrophobicContact CE1-CG 4.39Å; Y24-R68 PolarHBondContact OH-NH2 3.36Å; H66-R68 PolarHBondContact O-N 2.97Å; R68-L70 PolarHBondContact O-N 3.28Å |
| 69 | A | 75.9 | Confident | 70.2 | Confident | 20 Ų | 20 | 83.5 Ų | 83.5 | 17% | 0.165 | 52% | 0.518 | C | S | . | . | P | Polyproline II helix | trans | -64.6 | 122.3 | 165.4 | 0 | 0 | 0 | 0 | 0 | 107.6 | G22 K23 K25 R67 A71 | G22-A69 WeakPolarHBondContact CA-O 3.3Å; K23-A69 HydrophobicContact CB-CB 4.46Å; K23-A69 WeakPolarHBondContact O-CA 3.36Å; K23-A69 WeakPolarHBondContact O-CB 3.46Å; K23-A69 PolarHBondContact O-N 3.35Å; K25-A69 HydrophobicContact CD-CB 4.48Å; K25-A69 HydrophobicContact CG-CB 4.24Å; R67-A69 PolarHBondContact O-N 3.21Å; A69-A71 PolarHBondContact O-N 3.13Å; A69-A71 VanDerWaalsContact O-N 3.12Å |
| 70 | L | 65.7 | Low | 68.4 | Low | 162 Ų | 162 | 89.4 Ų | 89.4 | 85% | 0.848 | 55% | 0.553 | S | S | * | * | P | Polyproline II helix | trans | -59 | 117 | 156.2 | -60.8 | 177.2 | 0 | 0 | 0 | 105.4 | R68 A72 | R68-L70 PolarHBondContact O-N 3.28Å; L70-A72 PolarHBondContact O-N 3.01Å |
| 71 | A | 55.6 | Low | 67.1 | Low | 73 Ų | 73 | 95.2 Ų | 95.2 | 60% | 0.603 | 56% | 0.564 | S | S | * | * | P | Polyproline II helix | trans | -50.5 | 129.3 | 170.1 | 0 | 0 | 0 | 0 | 0 | 106.8 | A69 A73 | A69-A71 PolarHBondContact O-N 3.13Å; A69-A71 VanDerWaalsContact O-N 3.12Å; A71-A73 PolarHBondContact O-N 2.79Å |
| 72 | A | 46.7 | Very low | 65.3 | Low | 101 Ų | 101 | 104.8 Ų | 104.8 | 84% | 0.835 | 61% | 0.606 | S | S | * | * | trans | -51.7 | 111.6 | -171.9 | 0 | 0 | 0 | 0 | 0 | 108.3 | L70 S74 | L70-A72 PolarHBondContact O-N 3.01Å; A72-S74 PolarHBondContact O-N 3.18Å | ||
| 73 | A | 41.2 | Very low | 63.8 | Low | 95 Ų | 95 | 111.5 Ų | 111.5 | 79% | 0.785 | 63% | 0.629 | S | S | * | * | trans | -60 | 118 | -180 | 0 | 0 | 0 | 0 | 0 | 106.3 | A71 | A71-A73 PolarHBondContact O-N 2.79Š| ||
| 74 | S | 46.3 | Very low | 62.6 | Low | 97 Ų | 97 | 112.7 Ų | 112.7 | 68% | 0.678 | 65% | 0.646 | S | S | * | * | trans | -44.8 | 135.8 | 166.1 | -174.6 | 0 | 0 | 0 | 0 | 107.7 | A72 C76 | A72-S74 PolarHBondContact O-N 3.18Å; S74-C76 PolarHBondContact O-N 3.29Å | ||
| 75 | P | 44.5 | Very low | 61.8 | Low | 136 Ų | 136 | 114.4 Ų | 114.4 | 88% | 0.883 | 66% | 0.655 | S | S | * | * | S | Bend | trans | -68.8 | 78.6 | -168 | 28.3 | -36.3 | 0 | 0 | 0 | 111.5 | ||
| 76 | C | 37.7 | Very low | 61.1 | Low | 111 Ų | 111 | 114.7 Ų | 114.7 | 75% | 0.75 | 67% | 0.666 | S | S | * | * | S | Bend | trans | -140.1 | 92.6 | -175.8 | -163.7 | 0 | 0 | 0 | 0 | 108 | S74 | S74-C76 PolarHBondContact O-N 3.29Š|
| 77 | A | 47.2 | Very low | 60.2 | Low | 88 Ų | 88 | 120 Ų | 120 | 73% | 0.727 | 70% | 0.701 | S | S | * | * | trans | 55.5 | 121.1 | 177 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 78 | P | 56.4 | Low | 59.5 | Low | 113 Ų | 113 | 119.7 Ų | 119.7 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | trans | -62.2 | 144.4 | 160.8 | 30.5 | -33.6 | 0 | 0 | 0 | 108.6 | V80 | P78-V80 PolarHBondContact O-N 3.28Š| ||
| 79 | P | 57.3 | Low | 58.3 | Low | 91 Ų | 91 | 117.7 Ų | 117.7 | 59% | 0.591 | 73% | 0.73 | S | S | * | * | trans | -61.1 | 130.7 | 175.3 | 27.4 | -34.4 | 0 | 0 | 0 | 108.9 | F81 | P79-F81 HydrophobicContact CB-CD2 3.68Å; P79-F81 HydrophobicContact CB-CE2 3.48Å; P79-F81 VanDerWaalsContact CB-CE2 3.48Å; P79-F81 HydrophobicContact CB-CG 4.49Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD2 3.63Å; P79-F81 HydrophobicContact CG-CE2 3.57Å; P79-F81 PolarHBondContact O-N 3.35Å | ||
| 80 | V | 53.5 | Low | 58 | Low | 144 Ų | 144 | 124.3 Ų | 124.3 | 87% | 0.873 | 76% | 0.762 | S | S | * | * | trans | -73.4 | 57.5 | 178.8 | -74 | 0 | 0 | 0 | 0 | 111.9 | P78 F82 | P78-V80 PolarHBondContact O-N 3.28Å; V80-F82 PolarHBondContact O-N 2.8Å | ||
| 81 | F | 61.1 | Low | 58.2 | Low | 172 Ų | 172 | 122.5 Ų | 122.5 | 75% | 0.754 | 76% | 0.76 | S | S | * | * | trans | -77.3 | 101.5 | 164 | -62.4 | -54.2 | 0 | 0 | 0 | 108.3 | P79 R83 | P79-F81 HydrophobicContact CB-CD2 3.68Å; P79-F81 HydrophobicContact CB-CE2 3.48Å; P79-F81 VanDerWaalsContact CB-CE2 3.48Å; P79-F81 HydrophobicContact CB-CG 4.49Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD2 3.63Å; P79-F81 HydrophobicContact CG-CE2 3.57Å; P79-F81 PolarHBondContact O-N 3.35Å; F81-R83 PolarHBondContact O-N 3.24Å | ||
| 82 | F | 54.7 | Low | 58.6 | Low | 203 Ų | 203 | 123.3 Ų | 123.3 | 89% | 0.89 | 77% | 0.767 | S | S | * | * | trans | 4.9 | 82.4 | 166.1 | -76 | -91.9 | 0 | 0 | 0 | 114.9 | V80 P84 | V80-F82 PolarHBondContact O-N 2.8Å; F82-P84 WeakPolarHBondContact O-CD 3.24Å | ||
| 83 | R | 59.9 | Low | 59.6 | Low | 213 Ų | 213 | 123.8 Ų | 123.8 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | P | Polyproline II helix | trans | -62.1 | 118 | 162.9 | 167.6 | 169.7 | 155.7 | -170.2 | -7.4 | 106.4 | F81 | F81-R83 PolarHBondContact O-N 3.24Š|
| 84 | P | 64.2 | Low | 60.6 | Low | 101 Ų | 101 | 125.2 Ų | 125.2 | 66% | 0.656 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 146.3 | 173.7 | 26.1 | -34.4 | 0 | 0 | 0 | 109 | F82 | F82-P84 WeakPolarHBondContact O-CD 3.24Š|
| 85 | P | 73.3 | Confident | 61 | Low | 114 Ų | 114 | 129.5 Ų | 129.5 | 74% | 0.74 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 140.5 | 178.5 | 25 | -33.7 | 0 | 0 | 0 | 109.5 | ||
| 86 | P | 74 | Confident | 61.3 | Low | 94 Ų | 94 | 131.2 Ų | 131.2 | 61% | 0.61 | 77% | 0.768 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 142.4 | 174.4 | 27.8 | -33.8 | 0 | 0 | 0 | 109.4 | ||
| 87 | P | 73.6 | Confident | 61.9 | Low | 115 Ų | 115 | 133.1 Ų | 133.1 | 75% | 0.747 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 147.3 | 172.4 | 27.4 | -34.2 | 0 | 0 | 0 | 109.9 | A89 | P87-A89 PolarHBondContact O-N 3.31Š|
| 88 | P | 73 | Confident | 62.2 | Low | 125 Ų | 125 | 137.4 Ų | 137.4 | 81% | 0.812 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -58.9 | 129.7 | 178.1 | 24.6 | -33.4 | 0 | 0 | 0 | 110.2 | L90 | P88-L90 PolarHBondContact O-N 2.7Š|
| 89 | A | 63.5 | Low | 62.2 | Low | 103 Ų | 103 | 138.9 Ų | 138.9 | 85% | 0.851 | 77% | 0.765 | S | S | * | * | trans | -68.7 | 115.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | P87 | P87-A89 PolarHBondContact O-N 3.31Š| ||
| 90 | L | 69.1 | Low | 61.9 | Low | 159 Ų | 159 | 143.3 Ų | 143.3 | 83% | 0.832 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -70 | 146.5 | 166.7 | -67.8 | 170.6 | 0 | 0 | 0 | 109.7 | P88 A92 | P88-L90 PolarHBondContact O-N 2.7Å; L90-A92 PolarHBondContact O-N 3.1Å |
| 91 | P | 70.3 | Confident | 61.9 | Low | 124 Ų | 124 | 144.6 Ų | 144.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 133.5 | 178.6 | 25.8 | -33.7 | 0 | 0 | 0 | 111.1 | ||
| 92 | A | 63 | Low | 61.5 | Low | 91 Ų | 91 | 144.8 Ų | 144.8 | 75% | 0.752 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 139.6 | -176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | L90 | L90-A92 PolarHBondContact O-N 3.1Š|
| 93 | P | 69.2 | Low | 61.4 | Low | 111 Ų | 111 | 143.5 Ų | 143.5 | 72% | 0.721 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -71 | 151.7 | 173.6 | 30.3 | -34.7 | 0 | 0 | 0 | 111.7 | ||
| 94 | P | 60.8 | Low | 61.1 | Low | 125 Ų | 125 | 141 Ų | 141 | 81% | 0.812 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 138.3 | -177.1 | 27.1 | -34.1 | 0 | 0 | 0 | 112.6 | Q96 | P94-Q96 PolarHBondContact O-N 2.94Š|
| 95 | Q | 54.4 | Low | 60.1 | Low | 186 Ų | 186 | 144.7 Ų | 144.7 | 87% | 0.869 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.1 | 126.1 | 179.9 | -67.3 | -84.5 | -43.9 | 0 | 0 | 111.6 | ||
| 96 | Q | 52.1 | Low | 59 | Low | 172 Ų | 172 | 144.1 Ų | 144.1 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -95.6 | 129.7 | 163.6 | -71.1 | -156.9 | -24.2 | 0 | 0 | 110.5 | P94 | P94-Q96 PolarHBondContact O-N 2.94Š|
| 97 | H | 50.2 | Low | 57.8 | Low | 152 Ų | 152 | 144.2 Ų | 144.2 | 70% | 0.704 | 79% | 0.792 | S | S | * | * | trans | -100.2 | 103.4 | -162.8 | -174.6 | 95.4 | 0 | 0 | 0 | 111.3 | ||||
| 98 | F | 53.5 | Low | 56.8 | Low | 178 Ų | 178 | 147 Ų | 147 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | trans | -129.5 | 87.6 | 174.4 | -77.9 | -75.5 | 0 | 0 | 0 | 113.6 | ||||
| 99 | H | 55.1 | Low | 55.6 | Low | 143 Ų | 143 | 150.8 Ų | 150.8 | 66% | 0.662 | 81% | 0.807 | S | S | * | * | trans | 41.7 | 106.6 | 132.7 | -63.1 | 87.7 | 0 | 0 | 0 | 119.2 | ||||
| 100 | H | 51.5 | Low | 54.9 | Low | 185 Ų | 185 | 148.8 Ų | 148.8 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | -68.9 | 126.4 | 160.7 | -82 | 44.9 | 0 | 0 | 0 | 111 | H102 | H100-H102 PolarHBondContact O-N 3.47Š| ||
| 101 | H | 54.6 | Low | 53.9 | Low | 171 Ų | 171 | 150.4 Ų | 150.4 | 79% | 0.792 | 80% | 0.797 | S | S | * | * | trans | -91.5 | 93.6 | 174.1 | -130.4 | -53.7 | 0 | 0 | 0 | 110.6 | ||||
| 102 | H | 51.5 | Low | 53.4 | Low | 176 Ų | 176 | 151.6 Ų | 151.6 | 82% | 0.815 | 80% | 0.796 | S | S | * | * | trans | -73.8 | 128.2 | 159 | -98.9 | -85.7 | 0 | 0 | 0 | 108.4 | H100 | H100-H102 PolarHBondContact O-N 3.47Š| ||
| 103 | H | 53.1 | Low | 52.7 | Low | 175 Ų | 175 | 152.4 Ų | 152.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | -106.8 | 138.4 | 166.7 | -137.6 | -77.9 | 0 | 0 | 0 | 110.8 | ||||
| 104 | H | 53.8 | Low | 52.1 | Low | 162 Ų | 162 | 152.6 Ų | 152.6 | 75% | 0.75 | 80% | 0.798 | S | S | * | * | trans | -99.2 | 161.3 | -154.1 | -153.3 | -88.2 | 0 | 0 | 0 | 113.4 | ||||
| 105 | Q | 43.1 | Very low | 52.2 | Low | 178 Ų | 178 | 152.8 Ų | 152.8 | 83% | 0.832 | 80% | 0.796 | S | S | * | * | trans | -57.5 | 144.5 | 172.4 | -63 | 170.2 | -11.6 | 0 | 0 | 112.2 | ||||
| 106 | A | 50.2 | Low | 52.2 | Low | 101 Ų | 101 | 149.7 Ų | 149.7 | 84% | 0.835 | 79% | 0.792 | S | S | * | * | trans | -135.4 | 117.9 | 155.9 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 107 | A | 48.2 | Very low | 52.9 | Low | 96 Ų | 96 | 147.5 Ų | 147.5 | 79% | 0.793 | 79% | 0.79 | S | S | * | * | trans | -77.8 | 148.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 108 | L | 53 | Low | 53.3 | Low | 175 Ų | 175 | 146.1 Ų | 146.1 | 92% | 0.916 | 80% | 0.795 | S | S | * | * | trans | 172.7 | 101.7 | 138.9 | -93 | -179.3 | 0 | 0 | 0 | 108 | ||||
| 109 | Q | 47.9 | Very low | 54 | Low | 203 Ų | 203 | 143.7 Ų | 143.7 | 95% | 0.949 | 79% | 0.794 | S | S | * | * | trans | -126.2 | 133.7 | 164.1 | -75.3 | -170.2 | -39.2 | 0 | 0 | 108.2 | ||||
| 110 | G | 48.6 | Very low | 54.6 | Low | 62 Ų | 62 | 142.8 Ų | 142.8 | 64% | 0.639 | 80% | 0.801 | S | S | * | * | trans | -135.4 | 140.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 111 | F | 48.7 | Very low | 54.9 | Low | 192 Ų | 192 | 138.5 Ų | 138.5 | 84% | 0.842 | 80% | 0.797 | S | S | * | * | trans | 58.6 | 120.2 | 145.2 | -74 | -105 | 0 | 0 | 0 | 117 | ||||
| 112 | L | 59.2 | Low | 55.7 | Low | 150 Ų | 150 | 135.6 Ų | 135.6 | 79% | 0.785 | 79% | 0.794 | S | S | * | * | cis | -156.5 | 170.8 | 13.6 | -91.1 | 172.3 | 0 | 0 | 0 | 111.3 | ||||
| 113 | P | 49 | Very low | 56.6 | Low | 108 Ų | 108 | 132.4 Ų | 132.4 | 70% | 0.701 | 79% | 0.789 | S | S | * | * | trans | -99.2 | 161.1 | -172.7 | 38.9 | -34.4 | 0 | 0 | 0 | 114.3 | ||||
| 114 | S | 55.2 | Low | 57 | Low | 115 Ų | 115 | 129.6 Ų | 129.6 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -167.8 | 124 | 145.9 | -87.4 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 115 | V | 62.8 | Low | 56.9 | Low | 129 Ų | 129 | 129.9 Ų | 129.9 | 78% | 0.782 | 79% | 0.787 | S | S | * | * | trans | 59.3 | 123.4 | 148.9 | -165.2 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 116 | P | 54 | Low | 57.2 | Low | 121 Ų | 121 | 129 Ų | 129 | 79% | 0.786 | 79% | 0.788 | S | S | * | * | trans | -94.6 | 150.3 | 170.8 | 37.3 | -32.5 | 0 | 0 | 0 | 113.5 | ||||
| 117 | V | 68.4 | Low | 57 | Low | 125 Ų | 125 | 128.7 Ų | 128.7 | 76% | 0.758 | 79% | 0.785 | S | S | * | * | trans | -134.1 | 131.6 | 163.9 | 179.9 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 118 | P | 58.8 | Low | 57.5 | Low | 124 Ų | 124 | 131.7 Ų | 131.7 | 81% | 0.805 | 79% | 0.787 | S | S | * | * | trans | -87.7 | 134.2 | -175.9 | 33.6 | -33.1 | 0 | 0 | 0 | 112.4 | ||||
| 119 | V | 67.6 | Low | 57.7 | Low | 127 Ų | 127 | 129.1 Ų | 129.1 | 77% | 0.77 | 78% | 0.781 | S | S | * | * | trans | -135.4 | 133.9 | 169.9 | -173 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 120 | P | 67.2 | Low | 57.7 | Low | 124 Ų | 124 | 128.8 Ų | 128.8 | 81% | 0.805 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -71.7 | 146.3 | -169.3 | 27.6 | -35.4 | 0 | 0 | 0 | 113.7 | ||
| 121 | A | 59 | Low | 57.7 | Low | 94 Ų | 94 | 134.1 Ų | 134.1 | 78% | 0.777 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 141 | -171.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 122 | P | 71 | Confident | 57.8 | Low | 110 Ų | 110 | 129.6 Ų | 129.6 | 71% | 0.714 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -78.4 | 153.9 | 160.6 | 33.6 | -33.1 | 0 | 0 | 0 | 111.2 | ||
| 123 | P | 70.8 | Confident | 57.7 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 150.1 | -177.1 | 28.5 | -35 | 0 | 0 | 0 | 113.2 | H125 | P123-H125 PolarHBondContact O-N 2.82Š|
| 124 | P | 61.5 | Low | 58.1 | Low | 115 Ų | 115 | 129.9 Ų | 129.9 | 75% | 0.747 | 79% | 0.786 | S | S | * | * | P | Polyproline II helix | trans | -72.8 | 121.9 | -173.9 | 28.8 | -34.8 | 0 | 0 | 0 | 112.5 | L126 | P124-L126 PolarHBondContact O-N 3Š|
| 125 | H | 50.9 | Low | 57.7 | Low | 168 Ų | 168 | 131.1 Ų | 131.1 | 78% | 0.778 | 78% | 0.783 | S | S | * | * | trans | -71.8 | 109.6 | 166.9 | 24.9 | -86.5 | 0 | 0 | 0 | 109.4 | P123 A127 | P123-H125 PolarHBondContact O-N 2.82Å; H125-A127 VanDerWaalsContact C-N 3.34Å; H125-A127 PolarHBondContact O-N 3.43Å | ||
| 126 | L | 50.4 | Low | 57.1 | Low | 160 Ų | 160 | 129.5 Ų | 129.5 | 84% | 0.838 | 78% | 0.784 | S | S | * | * | trans | -71.6 | 87.7 | 173.2 | -70.9 | 174.7 | 0 | 0 | 0 | 110.3 | P124 L128 | P124-L126 PolarHBondContact O-N 3Å; L126-L128 PolarHBondContact O-N 3.5Å | ||
| 127 | A | 45.4 | Very low | 57 | Low | 94 Ų | 94 | 127.9 Ų | 127.9 | 78% | 0.777 | 78% | 0.781 | S | S | * | * | trans | -68.2 | 108.5 | 167.1 | 0 | 0 | 0 | 0 | 0 | 109.5 | H125 | H125-A127 VanDerWaalsContact C-N 3.34Å; H125-A127 PolarHBondContact O-N 3.43Å | ||
| 128 | L | 58 | Low | 56.2 | Low | 159 Ų | 159 | 126.5 Ų | 126.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -85.8 | 133.9 | 167.1 | -72.7 | 175.4 | 0 | 0 | 0 | 109.5 | L126 Y130 | L126-L128 PolarHBondContact O-N 3.5Å; L128-Y130 PolarHBondContact O-N 2.96Å | ||
| 129 | P | 57.7 | Low | 55.7 | Low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 77% | 0.769 | S | S | * | * | trans | -70.5 | 115.1 | 177.3 | 28.4 | -32.7 | 0 | 0 | 0 | 110.2 | ||||
| 130 | Y | 47.6 | Very low | 54.9 | Low | 196 Ų | 196 | 120.7 Ų | 120.7 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -62.5 | 171.2 | 150.1 | -143.6 | -107.5 | 0 | 0 | 0 | 108.7 | L128 | L128-Y130 PolarHBondContact O-N 2.96Š| ||
| 131 | H | 49 | Very low | 54.3 | Low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.806 | 75% | 0.75 | S | S | * | * | trans | 75.2 | 82.2 | 177.7 | -33.6 | -73.1 | 0 | 0 | 0 | 117.2 | ||||
| 132 | A | 49.6 | Very low | 54.4 | Low | 96 Ų | 96 | 124.9 Ų | 124.9 | 79% | 0.793 | 75% | 0.747 | S | S | * | * | trans | -164.1 | 95.3 | 137.6 | 0 | 0 | 0 | 0 | 0 | 109.8 | P134 | A132-P134 WeakPolarHBondContact O-CD 3.34Š| ||
| 133 | V | 58.3 | Low | 53.6 | Low | 147 Ų | 147 | 124.7 Ų | 124.7 | 89% | 0.891 | 74% | 0.74 | S | S | * | * | trans | -81.5 | 115.6 | 166 | -124.8 | 0 | 0 | 0 | 0 | 107.6 | N135 | V133-N135 PolarHBondContact O-N 2.92Š| ||
| 134 | P | 56.2 | Low | 52.7 | Low | 118 Ų | 118 | 123.2 Ų | 123.2 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -70.9 | 123 | 174.1 | -15.2 | 31.5 | 0 | 0 | 0 | 109 | A132 A136 | A132-P134 WeakPolarHBondContact O-CD 3.34Å; P134-A136 PolarHBondContact O-N 3.08Å | ||
| 135 | N | 48.6 | Very low | 52.1 | Low | 140 Ų | 140 | 121.8 Ų | 121.8 | 75% | 0.749 | 74% | 0.735 | S | S | * | * | trans | -48.4 | 133.6 | 176 | -176.3 | 9.6 | 0 | 0 | 0 | 111.3 | V133 A137 | V133-N135 PolarHBondContact O-N 2.92Å; N135-A137 PolarHBondContact O-N 2.85Å | ||
| 136 | A | 49.9 | Very low | 52 | Low | 96 Ų | 96 | 124.6 Ų | 124.6 | 79% | 0.793 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | 23.8 | -170.8 | 0 | 0 | 0 | 0 | 0 | 115 | P134 | P134-A136 PolarHBondContact O-N 3.08Š|
| 137 | A | 52.2 | Low | 52 | Low | 87 Ų | 87 | 121.3 Ų | 121.3 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.5 | -0.7 | -172.4 | 0 | 0 | 0 | 0 | 0 | 115 | N135 | N135-A137 PolarHBondContact O-N 2.85Š|
| 138 | A | 50 | Low | 51.7 | Low | 96 Ų | 96 | 120.1 Ų | 120.1 | 79% | 0.793 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -129.2 | 12.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||
| 139 | A | 48.2 | Very low | 51.4 | Low | 64 Ų | 64 | 117.5 Ų | 117.5 | 53% | 0.529 | 73% | 0.726 | S | S | . | * | S | Bend | trans | -77.8 | 131.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||
| 140 | P | 52.5 | Low | 50.9 | Low | 64 Ų | 64 | 120.5 Ų | 120.5 | 42% | 0.416 | 73% | 0.729 | S | S | . | * | trans | -64 | 142.7 | 179.4 | 26.7 | -35.1 | 0 | 0 | 0 | 111 | W142 L143 | P140-W142 PolarHBondContact O-N 2.97Å; P140-L143 HydrophobicContact CG-CD1 4.16Å; P140-L143 PolarHBondContact O-N 3.32Å | ||
| 141 | P | 53.4 | Low | 50.9 | Low | 115 Ų | 115 | 117.8 Ų | 117.8 | 75% | 0.747 | 73% | 0.734 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.9 | -13.7 | -158.9 | 19.9 | -33.1 | 0 | 0 | 0 | 116.1 | L143 | P141-L143 VanDerWaalsContact C-N 3.26Å; P141-L143 PolarHBondContact O-N 3.48Å |
| 142 | W | 61.2 | Low | 51.1 | Low | 192 Ų | 192 | 114.9 Ų | 114.9 | 73% | 0.727 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -12.8 | 175.6 | 68.9 | -82 | 0 | 0 | 0 | 114.4 | P140 | P140-W142 PolarHBondContact O-N 2.97Š|
| 143 | L | 54.9 | Low | 51.1 | Low | 106 Ų | 106 | 116.5 Ų | 116.5 | 56% | 0.555 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | -19.7 | 177.7 | -76.1 | 162.6 | 0 | 0 | 0 | 113.9 | P140 P141 | P140-L143 HydrophobicContact CG-CD1 4.16Å; P140-L143 PolarHBondContact O-N 3.32Å; P141-L143 VanDerWaalsContact C-N 3.26Å; P141-L143 PolarHBondContact O-N 3.48Å |
| 144 | A | 51.8 | Low | 50.4 | Low | 79 Ų | 79 | 119.2 Ų | 119.2 | 65% | 0.653 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.1 | -19.6 | -176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R146 | A144-R146 VanDerWaalsContact C-N 3.28Å; A144-R146 PolarHBondContact O-N 2.97Å |
| 145 | A | 48.1 | Very low | 50 | Low | 85 Ų | 85 | 120.8 Ų | 120.8 | 70% | 0.702 | 73% | 0.728 | S | S | * | * | trans | -81.8 | 50.8 | -169 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 146 | R | 49.8 | Very low | 50.1 | Low | 226 Ų | 226 | 120.1 Ų | 120.1 | 85% | 0.853 | 72% | 0.724 | S | S | * | * | trans | -128.6 | 34.5 | -179.4 | -41.5 | -152.5 | 91.6 | 159.6 | 8.7 | 114 | A144 | A144-R146 VanDerWaalsContact C-N 3.28Å; A144-R146 PolarHBondContact O-N 2.97Å | ||
| 147 | A | 48.7 | Very low | 49.6 | Very low | 91 Ų | 91 | 121.4 Ų | 121.4 | 75% | 0.752 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -120.1 | 125.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||
| 148 | G | 39.6 | Very low | 49.3 | Very low | 70 Ų | 70 | 127.1 Ų | 127.1 | 72% | 0.722 | 73% | 0.727 | S | S | * | * | trans | 75 | 160.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 149 | S | 52.7 | Low | 48.8 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 72% | 0.72 | 73% | 0.73 | S | S | * | * | trans | 53.4 | 147.3 | 154.9 | 47.5 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 150 | E | 47.5 | Very low | 48.6 | Very low | 185 Ų | 185 | 130.6 Ų | 130.6 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | cis | -161.1 | -170.5 | -23.8 | 48.9 | -147.5 | 6.7 | 0 | 0 | 110.1 | ||||
| 151 | T | 47.4 | Very low | 47.8 | Very low | 140 Ų | 140 | 130.5 Ų | 130.5 | 86% | 0.859 | 76% | 0.759 | S | S | * | * | trans | -88.7 | 167.6 | -153 | 23 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 152 | P | 52.2 | Low | 47 | Very low | 113 Ų | 113 | 133.6 Ų | 133.6 | 73% | 0.734 | 77% | 0.768 | S | S | * | * | trans | -113.6 | -179.1 | -162.4 | 44.1 | -36.9 | 0 | 0 | 0 | 115.5 | ||||
| 153 | P | 49.8 | Very low | 46.2 | Very low | 130 Ų | 130 | 129 Ų | 129 | 84% | 0.844 | 77% | 0.771 | S | S | * | * | trans | -101.9 | 161.7 | 155.3 | 36.4 | -29.5 | 0 | 0 | 0 | 113.5 | ||||
| 154 | R | 43.6 | Very low | 45.5 | Very low | 204 Ų | 204 | 130.5 Ų | 130.5 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -124.2 | 138.2 | -177.1 | -171.9 | -141.8 | -177.9 | 136.6 | -1.3 | 111.2 | ||||
| 155 | L | 48.1 | Very low | 45.1 | Very low | 150 Ų | 150 | 130.1 Ų | 130.1 | 79% | 0.785 | 79% | 0.791 | S | S | * | * | trans | -161.1 | 145.6 | 154.8 | -122.2 | 67.4 | 0 | 0 | 0 | 104.8 | ||||
| 156 | D | 50.2 | Low | 44.9 | Very low | 126 Ų | 126 | 132.4 Ų | 132.4 | 67% | 0.674 | 80% | 0.801 | S | S | * | * | cis | -130.7 | 177.3 | 1.4 | -81.6 | -84.6 | 0 | 0 | 0 | 110.3 | ||||
| 157 | D | 40.5 | Very low | 44.2 | Very low | 123 Ų | 123 | 125.3 Ų | 125.3 | 66% | 0.658 | 80% | 0.799 | S | S | * | * | trans | -159.8 | 89.5 | 156.4 | -172.5 | -74.4 | 0 | 0 | 0 | 108.8 | ||||
| 158 | F | 44.9 | Very low | 43.9 | Very low | 208 Ų | 208 | 125.9 Ų | 125.9 | 91% | 0.912 | 80% | 0.803 | S | S | * | * | trans | -163.2 | 131.4 | 163.9 | -71.3 | -62.7 | 0 | 0 | 0 | 108.8 | ||||
| 159 | G | 40.3 | Very low | 43.6 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | trans | 162.9 | 71.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 160 | V | 43.6 | Very low | 43.3 | Very low | 151 Ų | 151 | 127.6 Ų | 127.6 | 92% | 0.915 | 82% | 0.818 | S | S | * | * | trans | -69.8 | 139.9 | 175 | -72.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 161 | G | 35 | Very low | 42.8 | Very low | 62 Ų | 62 | 122.5 Ų | 122.5 | 64% | 0.639 | 82% | 0.815 | S | S | * | * | trans | 94.8 | 122.6 | 131.7 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 162 | L | 36.6 | Very low | 43 | Very low | 180 Ų | 180 | 120.8 Ų | 120.8 | 94% | 0.942 | 81% | 0.809 | S | S | * | * | trans | 80.9 | 140.3 | 145.3 | -68.9 | 89.3 | 0 | 0 | 0 | 122.3 | ||||
| 163 | A | 45.4 | Very low | 42.4 | Very low | 95 Ų | 95 | 118.1 Ų | 118.1 | 79% | 0.785 | 80% | 0.802 | S | S | * | * | trans | 93.7 | 120.4 | 155.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 164 | P | 39.1 | Very low | 42.9 | Very low | 137 Ų | 137 | 115.7 Ų | 115.7 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | -88.5 | 130.1 | 170.7 | 34.4 | -30.6 | 0 | 0 | 0 | 111.3 | ||||
| 165 | G | 43.2 | Very low | 43.5 | Very low | 72 Ų | 72 | 115.4 Ų | 115.4 | 74% | 0.742 | 79% | 0.793 | S | S | * | * | trans | -164.5 | 102.5 | -179.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 166 | S | 44.4 | Very low | 43.7 | Very low | 132 Ų | 132 | 111.3 Ų | 111.3 | 92% | 0.923 | 79% | 0.787 | S | S | * | * | trans | 38.1 | 103.5 | 143.5 | -54.7 | 0 | 0 | 0 | 0 | 121 | ||||
| 167 | G | 35.5 | Very low | 44.1 | Very low | 77 Ų | 77 | 114.9 Ų | 114.9 | 79% | 0.794 | 79% | 0.791 | S | S | * | * | 96.8 | 175.1 | 128.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | |||||
| 168 | A | 43.2 | Very low | 45.5 | Very low | 103 Ų | 103 | 117.9 Ų | 117.9 | 85% | 0.851 | 80% | 0.798 | S | S | * | * | trans | 59.1 | 88.8 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 169 | G | 33.3 | Very low | 46.7 | Very low | 87 Ų | 87 | 119.6 Ų | 119.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -64.4 | 135.1 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 170 | S | 46.4 | Very low | 48 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 80% | 0.797 | S | S | * | * | trans | -132.9 | 133.5 | 168.1 | -164.2 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 171 | G | 36.7 | Very low | 49.6 | Very low | 78 Ų | 78 | 127.7 Ų | 127.7 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | -80.5 | 139.3 | -167.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 172 | S | 50.3 | Low | 51.9 | Low | 103 Ų | 103 | 128.6 Ų | 128.6 | 72% | 0.72 | 79% | 0.785 | S | S | * | * | trans | -143.6 | 93.9 | 155.7 | 178.9 | 0 | 0 | 0 | 0 | 109.4 | S174 | S172-S174 PolarHBondContact O-N 3.18Š| ||
| 173 | G | 40.1 | Very low | 54.3 | Low | 58 Ų | 58 | 129.1 Ų | 129.1 | 60% | 0.598 | 78% | 0.78 | S | S | * | * | trans | -59.6 | 103.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111 | F175 | G173-F175 VanDerWaalsContact O-CD2 3.26Å; G173-F175 WeakPolarHBondContact O-CD2 3.02Å; G173-F175 PolarHBondContact O-N 3.43Å | ||
| 174 | S | 59.9 | Low | 56.6 | Low | 79 Ų | 79 | 126 Ų | 126 | 55% | 0.552 | 75% | 0.749 | S | S | * | * | trans | -75.8 | 70 | 176.2 | -78.2 | 0 | 0 | 0 | 0 | 111 | S172 G176 R177 | S172-S174 PolarHBondContact O-N 3.18Å; S174-G176 PolarHBondContact O-N 3.12Å; S174-G176 VanDerWaalsContact O-N 3.09Å; S174-R177 PolarHBondContact OG-NH2 3.17Å | ||
| 175 | F | 57.1 | Low | 59.2 | Low | 198 Ų | 198 | 122.5 Ų | 122.5 | 87% | 0.868 | 73% | 0.725 | S | S | * | * | trans | -59.8 | 111.6 | 171 | -66.7 | -79.1 | 0 | 0 | 0 | 110.2 | G173 R177 | G173-F175 VanDerWaalsContact O-CD2 3.26Å; G173-F175 WeakPolarHBondContact O-CD2 3.02Å; G173-F175 PolarHBondContact O-N 3.43Å; F175-R177 PolarHBondContact O-N 3.1Å | ||
| 176 | G | 51.8 | Low | 61.6 | Low | 63 Ų | 63 | 124.1 Ų | 124.1 | 65% | 0.649 | 72% | 0.723 | S | S | * | * | trans | 75.3 | 20 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | S174 K178 | S174-G176 PolarHBondContact O-N 3.12Å; S174-G176 VanDerWaalsContact O-N 3.09Å; G176-K178 PolarHBondContact O-N 3.43Å | ||
| 177 | R | 59.7 | Low | 64 | Low | 201 Ų | 201 | 124 Ų | 124 | 76% | 0.758 | 71% | 0.708 | S | S | * | * | trans | -65.1 | 82.2 | 165.8 | -85.3 | -172.4 | -88.2 | -111.7 | -0.3 | 110.7 | S174 F175 R179 | S174-R177 PolarHBondContact OG-NH2 3.17Å; F175-R177 PolarHBondContact O-N 3.1Å; R177-R179 PolarHBondContact O-N 2.91Å | ||
| 178 | K | 69.4 | Low | 66.8 | Low | 187 Ų | 187 | 122.5 Ų | 122.5 | 81% | 0.813 | 68% | 0.68 | S | S | * | * | P | Polyproline II helix | trans | -50.8 | 126 | 171.5 | -73.1 | 154.1 | -178.3 | 165 | 0 | 108 | G176 F180 | G176-K178 PolarHBondContact O-N 3.43Å; K178-F180 PolarHBondContact O-N 3.43Å |
| 179 | R | 69.1 | Low | 69.3 | Low | 244 Ų | 244 | 121.8 Ų | 121.8 | 92% | 0.921 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 129.5 | -175.9 | -59.3 | -177.7 | -161.4 | -132.2 | 2.1 | 109.3 | R177 R181 | R177-R179 PolarHBondContact O-N 2.91Å; R179-R181 PolarHBondContact O-N 2.85Å; R179-R181 VanDerWaalsContact O-N 3.17Å |
| 180 | F | 69 | Low | 72.3 | Confident | 184 Ų | 184 | 122.1 Ų | 122.1 | 81% | 0.807 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -57.8 | 120.9 | 180 | -174.7 | -95.9 | 0 | 0 | 0 | 109.7 | K178 | K178-F180 PolarHBondContact O-N 3.43Š|
| 181 | R | 77.4 | Confident | 74.6 | Confident | 219 Ų | 219 | 121 Ų | 121 | 83% | 0.826 | 61% | 0.613 | S | S | * | * | P | Polyproline II helix | trans | -82.5 | 118.2 | 173.9 | -176.8 | 176.5 | -178.9 | 86.1 | 0.1 | 107.7 | R179 K183 | R179-R181 PolarHBondContact O-N 2.85Å; R179-R181 VanDerWaalsContact O-N 3.17Å; R181-K183 PolarHBondContact O-N 3.06Å |
| 182 | T | 82.3 | Confident | 77.4 | Confident | 80 Ų | 80 | 117.3 Ų | 117.3 | 49% | 0.491 | 57% | 0.574 | S | S | . | * | P | Polyproline II helix | trans | -57.6 | 133.9 | 175.8 | 47 | 0 | 0 | 0 | 0 | 110.7 | ||
| 183 | K | 87.6 | Confident | 79.6 | Confident | 191 Ų | 191 | 116.8 Ų | 116.8 | 83% | 0.83 | 56% | 0.557 | S | S | * | * | trans | -126 | 120.2 | 174.6 | -176.4 | -175.6 | 178.2 | -171.8 | 0 | 107.3 | R181 | R181-K183 PolarHBondContact O-N 3.06Š| ||
| 184 | F | 92.3 | Very high | 82.1 | Confident | 30 Ų | 30 | 118.8 Ų | 118.8 | 13% | 0.132 | 55% | 0.55 | C | S | . | * | trans | -89.9 | 149.6 | 176.7 | -50.7 | -73.8 | 0 | 0 | 0 | 110.5 | Q188 K189 M192 V220 V224 W228 | F184-Q188 HydrophobicContact CB-CB 4.04Å; F184-K189 HydrophobicContact CB-CG 3.74Å; F184-M192 HydrophobicContact CD1-CE 4.48Å; F184-M192 HydrophobicContact CD1-SD 3.99Å; F184-M192 HydrophobicContact CE1-CE 4.1Å; F184-M192 HydrophobicContact CE1-SD 4.18Å; F184-M192 HydrophobicContact CE2-CE 4.48Å; F184-M192 HydrophobicContact CG-SD 4.24Å; F184-M192 HydrophobicContact CZ-CE 4.1Å; F184-V220 HydrophobicContact CD1-CG2 3.92Å; F184-V220 HydrophobicContact CE1-CG1 3.82Å; F184-V220 HydrophobicContact CE1-CG2 3.96Å; F184-V224 HydrophobicContact CE1-CG1 3.74Å; F184-V224 HydrophobicContact CZ-CG1 3.5Å; F184-V224 VanDerWaalsContact CZ-CG1 3.5Å; F184-W228 AromaticContact CE2-CD1 3.64Å; F184-W228 HydrophobicContact CE2-CG 4.37Å | ||
| 185 | T | 94.4 | Very high | 83.8 | Confident | 64 Ų | 64 | 116.1 Ų | 116.1 | 39% | 0.393 | 53% | 0.529 | S | S | . | . | trans | -63.7 | 159.3 | 167.3 | 68.9 | 0 | 0 | 0 | 0 | 110.3 | E187 Q188 K189 | T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 2.91Å; T185-Q188 PolarHBondContact O-N 3.49Å; T185-Q188 VanDerWaalsContact OG1-CB 3.31Å; T185-Q188 WeakPolarHBondContact OG1-CB 3.22Å; T185-Q188 VanDerWaalsContact OG1-CG 3.25Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.24Å; T185-Q188 PolarHBondContact OG1-N 3.38Å; T185-K189 WeakPolarHBondContact O-CG 3.25Å; T185-K189 PolarHBondContact O-N 3.41Å; T185-K189 VanDerWaalsContact O-N 3.09Å | ||
| 186 | P | 93.7 | Very high | 85.5 | Confident | 106 Ų | 106 | 106.7 Ų | 106.7 | 69% | 0.688 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -56.4 | -46 | 173.9 | 21.6 | -32.6 | 0 | 0 | 0 | 111.8 | K189 E190 | P186-K189 WeakPolarHBondContact O-CB 3.49Å; P186-K189 PolarHBondContact O-N 3.31Å; P186-K189 VanDerWaalsContact O-N 3.13Å; P186-E190 PolarHBondContact O-N 2.69Å |
| 187 | E | 95 | Very high | 87.5 | Confident | 130 Ų | 130 | 108.5 Ų | 108.5 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -57 | -47.3 | 175.1 | -178.8 | -174.3 | -165.5 | 0 | 0 | 112.9 | T185 K189 E190 R191 | T185-E187 VanDerWaalsContact C-N 3.31Å; T185-E187 PolarHBondContact O-N 2.91Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 2.8Å; E187-E190 WeakPolarHBondContact O-CB 3.47Å; E187-E190 PolarHBondContact O-N 3.49Å; E187-E190 VanDerWaalsContact O-N 3.07Å; E187-R191 PolarHBondContact O-N 3.5Å |
| 188 | Q | 95 | Very high | 89 | Confident | 44 Ų | 44 | 107.6 Ų | 107.6 | 21% | 0.206 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 174.2 | -82.1 | 175.2 | -30.3 | 0 | 0 | 111 | F184 T185 E190 M192 I218 | F184-Q188 HydrophobicContact CB-CB 4.04Å; T185-Q188 PolarHBondContact O-N 3.49Å; T185-Q188 VanDerWaalsContact OG1-CB 3.31Å; T185-Q188 WeakPolarHBondContact OG1-CB 3.22Å; T185-Q188 VanDerWaalsContact OG1-CG 3.25Å; T185-Q188 WeakPolarHBondContact OG1-CG 3.24Å; T185-Q188 PolarHBondContact OG1-N 3.38Å; Q188-E190 PolarHBondContact O-N 3.02Å; Q188-M192 VanDerWaalsContact O-CB 3.25Å; Q188-M192 WeakPolarHBondContact O-CB 3.46Å; Q188-M192 WeakPolarHBondContact O-CG 3.23Å; Q188-M192 PolarHBondContact O-N 3.49Å; Q188-I218 PolarHBondContact NE2-O 2.94Å |
| 189 | K | 95.2 | Very high | 90 | Very high | 88 Ų | 88 | 100.6 Ų | 100.6 | 38% | 0.383 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64.1 | -30.3 | 178.4 | -64.6 | 172 | -173.3 | 174.7 | 0 | 112.4 | F184 T185 P186 E187 R193 | F184-K189 HydrophobicContact CB-CG 3.74Å; T185-K189 WeakPolarHBondContact O-CG 3.25Å; T185-K189 PolarHBondContact O-N 3.41Å; T185-K189 VanDerWaalsContact O-N 3.09Å; P186-K189 WeakPolarHBondContact O-CB 3.49Å; P186-K189 PolarHBondContact O-N 3.31Å; P186-K189 VanDerWaalsContact O-N 3.13Å; E187-K189 VanDerWaalsContact C-N 3.31Å; E187-K189 PolarHBondContact O-N 2.8Å; K189-R193 VanDerWaalsContact O-CG 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.28Å; K189-R193 PolarHBondContact O-N 2.98Å; K189-R193 PolarHBondContact O-NH1 3.15Å |
| 190 | E | 95.7 | Very high | 91 | Very high | 94 Ų | 94 | 91.8 Ų | 91.8 | 44% | 0.439 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -70.6 | -57.3 | 179 | -173.9 | 145.3 | -95.6 | 0 | 0 | 111.1 | P186 E187 Q188 M192 R193 E194 | P186-E190 PolarHBondContact O-N 2.69Å; E187-E190 WeakPolarHBondContact O-CB 3.47Å; E187-E190 PolarHBondContact O-N 3.49Å; E187-E190 VanDerWaalsContact O-N 3.07Å; Q188-E190 PolarHBondContact O-N 3.02Å; E190-M192 PolarHBondContact O-N 3.4Å; E190-M192 VanDerWaalsContact O-N 3.15Å; E190-R193 WeakPolarHBondContact O-CA 3.34Å; E190-R193 WeakPolarHBondContact O-CB 3.46Å; E190-R193 PolarHBondContact O-N 2.78Å; E190-R193 IonicContact OE1-NH2 2.97Å; E190-R193 PolarHBondContact OE1-NH2 3.46Å; E190-E194 PolarHBondContact O-N 3.43Å |
| 191 | R | 95.8 | Very high | 92.1 | Very high | 100 Ų | 100 | 84.6 Ų | 84.6 | 38% | 0.377 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -53 | -39.4 | 171.9 | -64.9 | -59.4 | -169.5 | 95.5 | 1.3 | 111.9 | E187 E194 F195 F214 E217 I218 | E187-R191 PolarHBondContact O-N 3.5Å; R191-E194 WeakPolarHBondContact CD-OE2 3.41Å; R191-F195 VanDerWaalsContact O-CB 3.24Å; R191-F195 WeakPolarHBondContact O-CB 3.49Å; R191-F195 PolarHBondContact O-N 3.29Å; R191-F214 HydrophobicContact CB-CE2 4.16Å; R191-F214 HydrophobicContact CB-CZ 4.25Å; R191-F214 VanDerWaalsContact O-CZ 3.3Å; R191-F214 WeakPolarHBondContact O-CZ 3.49Å; R191-E217 IonicContact NH1-OE2 3.67Å; R191-E217 PolarHBondContact NH1-OE2 2.93Å; R191-I218 HydrophobicContact CB-CG2 3.91Å; R191-I218 HydrophobicContact CG-CG2 4.42Å |
| 192 | M | 95.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 83.5 Ų | 83.5 | 0% | 0 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -66.8 | -33.1 | 175.1 | -69.6 | 170.6 | 80 | 0 | 0 | 113.6 | F184 Q188 E190 A196 I218 V220 L225 W228 | F184-M192 HydrophobicContact CD1-CE 4.48Å; F184-M192 HydrophobicContact CD1-SD 3.99Å; F184-M192 HydrophobicContact CE1-CE 4.1Å; F184-M192 HydrophobicContact CE1-SD 4.18Å; F184-M192 HydrophobicContact CE2-CE 4.48Å; F184-M192 HydrophobicContact CG-SD 4.24Å; F184-M192 HydrophobicContact CZ-CE 4.1Å; Q188-M192 VanDerWaalsContact O-CB 3.25Å; Q188-M192 WeakPolarHBondContact O-CB 3.46Å; Q188-M192 WeakPolarHBondContact O-CG 3.23Å; Q188-M192 PolarHBondContact O-N 3.49Å; E190-M192 PolarHBondContact O-N 3.4Å; E190-M192 VanDerWaalsContact O-N 3.15Å; M192-A196 VanDerWaalsContact O-CB 3.24Å; M192-A196 WeakPolarHBondContact O-CB 3.34Å; M192-A196 PolarHBondContact O-N 3.29Å; M192-A196 VanDerWaalsContact O-N 3.08Å; M192-I218 HydrophobicContact CG-CD1 3.4Å; M192-I218 VanDerWaalsContact CG-CD1 3.4Å; M192-I218 HydrophobicContact SD-CD1 4.07Å; M192-V220 HydrophobicContact CE-CG1 4.09Å; M192-V220 HydrophobicContact SD-CG1 4.48Å; M192-V220 HydrophobicContact SD-CG2 4.18Å; M192-L225 HydrophobicContact CB-CD1 4.25Å; M192-L225 HydrophobicContact CE-CB 4.38Å; M192-L225 HydrophobicContact CE-CD1 3.58Å; M192-L225 HydrophobicContact CG-CD1 4.01Å; M192-W228 HydrophobicContact CB-CD2 4.43Å; M192-W228 HydrophobicContact CB-CE3 4.05Å; M192-W228 HydrophobicContact CB-CH2 3.76Å; M192-W228 HydrophobicContact CB-CZ2 4.15Å; M192-W228 HydrophobicContact CB-CZ3 3.71Å; M192-W228 HydrophobicContact CE-CB 3.78Å; M192-W228 HydrophobicContact CE-CD2 3.52Å; M192-W228 HydrophobicContact CE-CE3 3.81Å; M192-W228 HydrophobicContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact O-CZ3 3.22Å; M192-W228 WeakPolarHBondContact O-CZ3 3.36Å |
| 193 | R | 94.7 | Very high | 92.9 | Very high | 93 Ų | 93 | 82 Ų | 82 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -69.6 | -53 | 173.7 | -78.7 | -174.5 | -49.8 | -82 | 11.6 | 110.9 | K189 E190 F195 A196 E197 W228 | K189-R193 VanDerWaalsContact O-CG 3.32Å; K189-R193 WeakPolarHBondContact O-CG 3.28Å; K189-R193 PolarHBondContact O-N 2.98Å; K189-R193 PolarHBondContact O-NH1 3.15Å; E190-R193 WeakPolarHBondContact O-CA 3.34Å; E190-R193 WeakPolarHBondContact O-CB 3.46Å; E190-R193 PolarHBondContact O-N 2.78Å; E190-R193 IonicContact OE1-NH2 2.97Å; E190-R193 PolarHBondContact OE1-NH2 3.46Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.27Å; R193-A196 CarbonylContact O-C 3.47Å; R193-A196 WeakPolarHBondContact O-CA 3.39Å; R193-A196 WeakPolarHBondContact O-CB 3.48Å; R193-A196 PolarHBondContact O-N 3.11Å; R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.04Å; R193-W228 HydrophobicContact CB-CH2 4.47Å; R193-W228 HydrophobicContact CG-CH2 3.85Å; R193-W228 HydrophobicContact CG-CZ2 4.26Å |
| 194 | E | 94.5 | Very high | 92.8 | Very high | 99 Ų | 99 | 78.4 Ų | 78.4 | 46% | 0.463 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -54.3 | -46.6 | 178.3 | -65.7 | 166.1 | -178.4 | 0 | 0 | 111.2 | E190 R191 A196 E197 K198 | E190-E194 PolarHBondContact O-N 3.43Å; R191-E194 WeakPolarHBondContact CD-OE2 3.41Å; E194-A196 PolarHBondContact O-N 3.03Å; E194-E197 PolarHBondContact O-N 3.31Å; E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 PolarHBondContact O-N 3.46Å |
| 195 | F | 94.2 | Very high | 92.3 | Very high | 24 Ų | 24 | 87.2 Ų | 87.2 | 11% | 0.105 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 175.3 | -177.1 | -88.3 | 0 | 0 | 0 | 111.9 | R191 R193 K198 Q199 L211 F214 L225 M229 | R191-F195 VanDerWaalsContact O-CB 3.24Å; R191-F195 WeakPolarHBondContact O-CB 3.49Å; R191-F195 PolarHBondContact O-N 3.29Å; R193-F195 VanDerWaalsContact C-N 3.29Å; R193-F195 PolarHBondContact O-N 3.27Å; F195-K198 PolarHBondContact O-N 3.43Å; F195-Q199 HydrophobicContact CD1-CG 4.04Å; F195-Q199 HydrophobicContact CE1-CG 3.61Å; F195-Q199 HydrophobicContact CE2-CG 4.22Å; F195-Q199 HydrophobicContact CG-CG 4.49Å; F195-Q199 HydrophobicContact CZ-CG 3.71Å; F195-Q199 WeakPolarHBondContact O-CB 3.3Å; F195-Q199 WeakPolarHBondContact O-CG 3.48Å; F195-Q199 PolarHBondContact O-N 3.43Å; F195-L211 HydrophobicContact CE1-CD1 3.61Å; F195-L211 HydrophobicContact CZ-CB 4.24Å; F195-L211 HydrophobicContact CZ-CD1 3.6Å; F195-L211 HydrophobicContact CZ-CG 4.48Å; F195-F214 HydrophobicContact CB-CD1 4.21Å; F195-F214 HydrophobicContact CB-CD2 4.44Å; F195-F214 HydrophobicContact CB-CE1 3.59Å; F195-F214 HydrophobicContact CB-CE2 3.87Å; F195-F214 HydrophobicContact CB-CZ 3.41Å; F195-F214 VanDerWaalsContact CB-CZ 3.41Å; F195-F214 AromaticContact CD1-CD1 3.92Å; F195-F214 HydrophobicContact CD1-CD1 3.92Å; F195-F214 AromaticContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD2-CB 4.08Å; F195-F214 AromaticContact CD2-CD1 3.5Å; F195-F214 HydrophobicContact CD2-CD1 3.5Å; F195-F214 AromaticContact CD2-CD2 3.78Å; F195-F214 HydrophobicContact CD2-CD2 3.78Å; F195-F214 AromaticContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE2 4.08Å; F195-F214 AromaticContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CG 3.48Å; F195-F214 VanDerWaalsContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CZ 4.1Å; F195-F214 HydrophobicContact CE1-CD1 4.19Å; F195-F214 HydrophobicContact CE1-CE1 4.48Å; F195-F214 HydrophobicContact CE2-CB 3.87Å; F195-F214 AromaticContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD2 4.43Å; F195-F214 HydrophobicContact CE2-CE1 4.49Å; F195-F214 AromaticContact CE2-CG 3.75Å; F195-F214 HydrophobicContact CE2-CG 3.75Å; F195-F214 AromaticContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD2 4.29Å; F195-F214 AromaticContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE1 3.44Å; F195-F214 VanDerWaalsContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE2 4.17Å; F195-F214 HydrophobicContact CG-CG 4.02Å; F195-F214 AromaticContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CZ-CD1 4.13Å; F195-F214 HydrophobicContact CZ-CG 4.49Å; F195-L225 HydrophobicContact CD1-CD2 4.26Å; F195-L225 HydrophobicContact CE1-CD2 4.23Å; F195-M229 HydrophobicContact CD1-SD 4.47Å; F195-M229 HydrophobicContact CE1-SD 4.5Å |
| 196 | A | 93.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 91.4 Ų | 91.4 | 0% | 0 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -66.6 | -38.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M192 R193 E194 Q199 G200 W201 W228 M229 | M192-A196 VanDerWaalsContact O-CB 3.24Å; M192-A196 WeakPolarHBondContact O-CB 3.34Å; M192-A196 PolarHBondContact O-N 3.29Å; M192-A196 VanDerWaalsContact O-N 3.08Å; R193-A196 CarbonylContact O-C 3.47Å; R193-A196 WeakPolarHBondContact O-CA 3.39Å; R193-A196 WeakPolarHBondContact O-CB 3.48Å; R193-A196 PolarHBondContact O-N 3.11Å; E194-A196 PolarHBondContact O-N 3.03Å; A196-Q199 CarbonylContact O-C 3.55Å; A196-Q199 PolarHBondContact O-N 3.36Å; A196-G200 PolarHBondContact O-N 2.92Å; A196-G200 VanDerWaalsContact O-N 3.17Å; A196-W201 HydrophobicContact CB-CD2 3.78Å; A196-W201 HydrophobicContact CB-CE3 3.82Å; A196-W201 HydrophobicContact CB-CG 4.45Å; A196-W201 HydrophobicContact CB-CH2 3.85Å; A196-W201 HydrophobicContact CB-CZ2 3.78Å; A196-W201 HydrophobicContact CB-CZ3 3.85Å; A196-W201 WeakPolarHBondContact O-CA 3.17Å; A196-W201 PolarHBondContact O-N 3.11Å; A196-W228 HydrophobicContact CB-CZ3 4.07Å; A196-M229 HydrophobicContact CB-CE 3.85Å; A196-M229 HydrophobicContact CB-CG 4.02Å; A196-M229 HydrophobicContact CB-SD 4.34Å |
| 197 | E | 92.8 | Very high | 91.1 | Very high | 101 Ų | 101 | 88.4 Ų | 88.4 | 47% | 0.472 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -65.4 | -48.5 | 174.7 | -73.3 | 163.8 | -172.9 | 0 | 0 | 111 | R193 E194 Q199 G200 W201 L236 | R193-E197 WeakPolarHBondContact O-CG 3.33Å; R193-E197 PolarHBondContact O-N 3.04Å; E194-E197 PolarHBondContact O-N 3.31Å; E197-Q199 PolarHBondContact O-N 2.97Å; E197-G200 PolarHBondContact O-N 3.39Å; E197-W201 HydrophobicContact CG-CZ2 4.41Å; E197-L236 HydrophobicContact CG-CD1 4.27Å |
| 198 | K | 92 | Very high | 90.7 | Very high | 182 Ų | 182 | 85.5 Ų | 85.5 | 79% | 0.791 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57.8 | -30.2 | 174.1 | -172.8 | 172.1 | -175.2 | 171.6 | 0 | 113.4 | E194 F195 | E194-K198 WeakPolarHBondContact O-CB 3.49Å; E194-K198 PolarHBondContact O-N 3.46Å; F195-K198 PolarHBondContact O-N 3.43Å |
| 199 | Q | 90.2 | Very high | 90.4 | Very high | 39 Ų | 39 | 85.7 Ų | 85.7 | 18% | 0.182 | 41% | 0.406 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | 11.6 | 177.6 | -63.8 | -68.5 | -49.9 | 0 | 0 | 113.5 | F195 A196 E197 W201 R202 M229 | F195-Q199 HydrophobicContact CD1-CG 4.04Å; F195-Q199 HydrophobicContact CE1-CG 3.61Å; F195-Q199 HydrophobicContact CE2-CG 4.22Å; F195-Q199 HydrophobicContact CG-CG 4.49Å; F195-Q199 HydrophobicContact CZ-CG 3.71Å; F195-Q199 WeakPolarHBondContact O-CB 3.3Å; F195-Q199 WeakPolarHBondContact O-CG 3.48Å; F195-Q199 PolarHBondContact O-N 3.43Å; A196-Q199 CarbonylContact O-C 3.55Å; A196-Q199 PolarHBondContact O-N 3.36Å; E197-Q199 PolarHBondContact O-N 2.97Å; Q199-W201 PolarHBondContact O-N 3.01Å; Q199-W201 VanDerWaalsContact O-N 3.08Å; Q199-R202 PolarHBondContact O-N 2.79Å; Q199-M229 HydrophobicContact CB-CE 4.35Å |
| 200 | G | 90.2 | Very high | 90.1 | Very high | 59 Ų | 59 | 84.1 Ų | 84.1 | 61% | 0.608 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 56.5 | 29.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114 | A196 E197 R202 | A196-G200 PolarHBondContact O-N 2.92Å; A196-G200 VanDerWaalsContact O-N 3.17Å; E197-G200 PolarHBondContact O-N 3.39Å; G200-R202 PolarHBondContact O-N 3.17Å; G200-R202 VanDerWaalsContact O-N 3.12Å |
| 201 | W | 91.7 | Very high | 89.9 | Confident | 33 Ų | 33 | 79.8 Ų | 79.8 | 13% | 0.125 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 23.4 | -174.6 | -66.9 | 79.3 | 0 | 0 | 0 | 115 | A196 E197 Q199 W228 M229 H232 K233 L236 | A196-W201 HydrophobicContact CB-CD2 3.78Å; A196-W201 HydrophobicContact CB-CE3 3.82Å; A196-W201 HydrophobicContact CB-CG 4.45Å; A196-W201 HydrophobicContact CB-CH2 3.85Å; A196-W201 HydrophobicContact CB-CZ2 3.78Å; A196-W201 HydrophobicContact CB-CZ3 3.85Å; A196-W201 WeakPolarHBondContact O-CA 3.17Å; A196-W201 PolarHBondContact O-N 3.11Å; E197-W201 HydrophobicContact CG-CZ2 4.41Å; Q199-W201 PolarHBondContact O-N 3.01Å; Q199-W201 VanDerWaalsContact O-N 3.08Å; W201-W228 AromaticContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CZ3 4.1Å; W201-W228 HydrophobicContact CZ3-CH2 4.35Å; W201-W228 HydrophobicContact CZ3-CZ3 4.06Å; W201-M229 HydrophobicContact CE3-CB 4.46Å; W201-H232 HydrophobicContact CH2-CB 3.88Å; W201-H232 HydrophobicContact CZ3-CB 3.55Å; W201-K233 HydrophobicContact CB-CB 4.23Å; W201-K233 HydrophobicContact CB-CD 4.05Å; W201-K233 HydrophobicContact CB-CG 3.77Å; W201-K233 HydrophobicContact CD2-CB 4.44Å; W201-K233 VanDerWaalsContact CE3-CA 3.46Å; W201-K233 HydrophobicContact CE3-CB 3.94Å; W201-K233 HydrophobicContact CG-CG 4.36Å; W201-L236 HydrophobicContact CZ2-CD1 3.65Å; W201-L236 HydrophobicContact CZ2-CD2 4.48Å; W201-L236 HydrophobicContact CZ2-CG 3.93Å |
| 202 | R | 90.8 | Very high | 89.8 | Confident | 197 Ų | 197 | 78.3 Ų | 78.3 | 74% | 0.743 | 39% | 0.389 | S | S | * | . | trans | -140.5 | 105.8 | -178.9 | -177.4 | 179.2 | -179.9 | 163.1 | -1.1 | 111.2 | Q199 G200 Q204 | Q199-R202 PolarHBondContact O-N 2.79Å; G200-R202 PolarHBondContact O-N 3.17Å; G200-R202 VanDerWaalsContact O-N 3.12Å; R202-Q204 PolarHBondContact O-N 3.08Å | ||
| 203 | I | 85.7 | Confident | 89.7 | Confident | 48 Ų | 48 | 87.8 Ų | 87.8 | 25% | 0.246 | 43% | 0.425 | C | S | . | . | trans | -62.2 | 119.1 | 170.6 | -64.7 | 164.3 | 0 | 0 | 0 | 109.6 | L211 K226 M229 | I203-L211 HydrophobicContact CB-CD2 4.3Å; I203-L211 HydrophobicContact CD1-CD2 3.87Å; I203-L211 HydrophobicContact CG1-CD2 3.93Å; I203-L211 HydrophobicContact CG2-CD2 3.39Å; I203-K226 HydrophobicContact CD1-CB 3.82Å; I203-K226 HydrophobicContact CD1-CG 4.1Å; I203-M229 HydrophobicContact CD1-SD 3.81Å; I203-M229 HydrophobicContact CG1-CE 4.09Å; I203-M229 HydrophobicContact CG1-SD 3.77Å | ||
| 204 | Q | 84.8 | Confident | 89.7 | Confident | 116 Ų | 116 | 84.6 Ų | 84.6 | 54% | 0.542 | 41% | 0.414 | S | S | . | . | trans | -84.1 | 161 | 169.3 | -46.1 | -172.9 | 76 | 0 | 0 | 110.5 | R202 D207 | R202-Q204 PolarHBondContact O-N 3.08Å; Q204-D207 WeakPolarHBondContact CB-OD2 3.42Å; Q204-D207 WeakPolarHBondContact CG-OD2 3.47Å; Q204-D207 PolarHBondContact NE2-OD2 3.38Å | ||
| 205 | R | 82 | Confident | 89.7 | Confident | 215 Ų | 215 | 80 Ų | 80 | 81% | 0.811 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -73.2 | -29.2 | 176.7 | -170.1 | 178.4 | -179.5 | -171.8 | -1 | 112.7 | D207 D208 | R205-D207 VanDerWaalsContact C-N 3.31Å; R205-D207 PolarHBondContact O-N 3.01Å; R205-D208 VanDerWaalsContact O-OD2 3.06Å |
| 206 | N | 81.1 | Confident | 89.8 | Confident | 151 Ų | 151 | 85 Ų | 85 | 81% | 0.807 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.5 | -22.8 | -175.7 | -64.3 | 14.5 | 0 | 0 | 0 | 112.3 | D208 | N206-D208 PolarHBondContact O-N 3.35Š|
| 207 | D | 82.7 | Confident | 89.9 | Confident | 43 Ų | 43 | 91.3 Ų | 91.3 | 23% | 0.23 | 45% | 0.45 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.3 | 11.6 | -178.1 | -61.1 | -52.8 | 0 | 0 | 0 | 113.2 | Q204 R205 G209 A210 L211 | Q204-D207 WeakPolarHBondContact CB-OD2 3.42Å; Q204-D207 WeakPolarHBondContact CG-OD2 3.47Å; Q204-D207 PolarHBondContact NE2-OD2 3.38Å; R205-D207 VanDerWaalsContact C-N 3.31Å; R205-D207 PolarHBondContact O-N 3.01Å; D207-G209 VanDerWaalsContact C-N 3.31Å; D207-G209 PolarHBondContact O-N 2.87Å; D207-A210 PolarHBondContact O-N 3.43Å; D207-A210 VanDerWaalsContact O-N 3.16Å; D207-L211 VanDerWaalsContact O-CB 3.31Å; D207-L211 WeakPolarHBondContact O-CB 3.41Å; D207-L211 PolarHBondContact O-N 3.12Å |
| 208 | D | 86.1 | Confident | 90 | Very high | 70 Ų | 70 | 87.3 Ų | 87.3 | 37% | 0.374 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -50.5 | -47.8 | -178 | -86.5 | -36.2 | 0 | 0 | 0 | 111.5 | R205 N206 A210 L211 D212 R222 | R205-D208 VanDerWaalsContact O-OD2 3.06Å; N206-D208 PolarHBondContact O-N 3.35Å; D208-A210 PolarHBondContact O-N 3.18Å; D208-L211 PolarHBondContact O-N 3.26Å; D208-D212 PolarHBondContact O-N 3.02Å; D208-R222 PolarHBondContact O-NH2 2.87Å; D208-R222 IonicContact OD1-CZ 2.65Å; D208-R222 IonicContact OD1-NH1 3.75Å; D208-R222 PolarHBondContact OD1-NH1 3.17Å |
| 209 | G | 89.3 | Confident | 90.1 | Very high | 47 Ų | 47 | 81.6 Ų | 81.6 | 49% | 0.485 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -68.4 | -32.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | D207 R213 | D207-G209 VanDerWaalsContact C-N 3.31Å; D207-G209 PolarHBondContact O-N 2.87Å; G209-R213 WeakPolarHBondContact O-CG 3.31Å; G209-R213 PolarHBondContact O-N 2.81Å |
| 210 | A | 88.3 | Confident | 90.3 | Very high | 55 Ų | 55 | 80.1 Ų | 80.1 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -74.2 | -38.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D207 D208 F214 | D207-A210 PolarHBondContact O-N 3.43Å; D207-A210 VanDerWaalsContact O-N 3.16Å; D208-A210 PolarHBondContact O-N 3.18Å; A210-F214 WeakPolarHBondContact O-CB 3.47Å; A210-F214 PolarHBondContact O-N 3.33Å; A210-F214 VanDerWaalsContact O-N 3.1Å |
| 211 | L | 91.3 | Very high | 90.5 | Very high | 3 Ų | 3 | 85.3 Ų | 85.3 | 2% | 0.016 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -67.3 | -33.9 | 176.9 | 176.4 | 57.2 | 0 | 0 | 0 | 112.5 | F195 I203 D207 D208 C215 R222 L225 | F195-L211 HydrophobicContact CE1-CD1 3.61Å; F195-L211 HydrophobicContact CZ-CB 4.24Å; F195-L211 HydrophobicContact CZ-CD1 3.6Å; F195-L211 HydrophobicContact CZ-CG 4.48Å; I203-L211 HydrophobicContact CB-CD2 4.3Å; I203-L211 HydrophobicContact CD1-CD2 3.87Å; I203-L211 HydrophobicContact CG1-CD2 3.93Å; I203-L211 HydrophobicContact CG2-CD2 3.39Å; D207-L211 VanDerWaalsContact O-CB 3.31Å; D207-L211 WeakPolarHBondContact O-CB 3.41Å; D207-L211 PolarHBondContact O-N 3.12Å; D208-L211 PolarHBondContact O-N 3.26Å; L211-C215 VanDerWaalsContact O-CB 3.31Å; L211-C215 WeakPolarHBondContact O-CB 3.29Å; L211-C215 PolarHBondContact O-N 3.09Å; L211-C215 PolarHBondContact O-SG 3.05Å; L211-R222 VanDerWaalsContact C-NH2 3.32Å; L211-L225 HydrophobicContact CD1-CD2 3.47Å; L211-L225 VanDerWaalsContact CD1-CD2 3.47Å; L211-L225 HydrophobicContact CD1-CG 4.43Å |
| 212 | D | 93.5 | Very high | 90.6 | Very high | 69 Ų | 69 | 86.6 Ų | 86.6 | 37% | 0.369 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -69.5 | -49.2 | 177 | -83.2 | -32.4 | 0 | 0 | 0 | 110.4 | D208 F214 C215 D216 R222 | D208-D212 PolarHBondContact O-N 3.02Å; D212-F214 VanDerWaalsContact C-N 3.28Å; D212-F214 PolarHBondContact O-N 3.31Å; D212-C215 WeakPolarHBondContact O-CB 3.27Å; D212-C215 PolarHBondContact O-N 3.06Å; D212-D216 PolarHBondContact O-N 3.36Å; D212-R222 IonicContact OD1-CZ 3.61Å; D212-R222 IonicContact OD1-NE 2.7Å; D212-R222 PolarHBondContact OD1-NE 3.4Å; D212-R222 IonicContact OD1-NH2 2.62Å; D212-R222 PolarHBondContact OD1-NH2 3.35Å; D212-R222 IonicContact OD2-CZ 2.84Å; D212-R222 IonicContact OD2-NE 3.15Å; D212-R222 IonicContact OD2-NH2 3.18Å; D212-R222 PolarHBondContact OD2-NH2 3.47Å; D212-R222 VanDerWaalsContact OD2-NH2 3.15Å |
| 213 | R | 93.4 | Very high | 90.6 | Very high | 200 Ų | 200 | 83 Ų | 83 | 76% | 0.755 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -54.3 | -44.6 | 175.9 | -69.2 | 176.2 | -179 | -126.4 | 1.4 | 112.3 | G209 D216 E217 | G209-R213 WeakPolarHBondContact O-CG 3.31Å; G209-R213 PolarHBondContact O-N 2.81Å; R213-D216 PolarHBondContact O-N 3.08Å; R213-E217 PolarHBondContact O-N 2.86Å |
| 214 | F | 95 | Very high | 91 | Very high | 26 Ų | 26 | 82.9 Ų | 82.9 | 11% | 0.114 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -62.8 | -46.5 | 175.2 | 175.2 | -107.1 | 0 | 0 | 0 | 112.3 | R191 F195 A210 D212 D216 E217 I218 L225 | R191-F214 HydrophobicContact CB-CE2 4.16Å; R191-F214 HydrophobicContact CB-CZ 4.25Å; R191-F214 VanDerWaalsContact O-CZ 3.3Å; R191-F214 WeakPolarHBondContact O-CZ 3.49Å; F195-F214 HydrophobicContact CB-CD1 4.21Å; F195-F214 HydrophobicContact CB-CD2 4.44Å; F195-F214 HydrophobicContact CB-CE1 3.59Å; F195-F214 HydrophobicContact CB-CE2 3.87Å; F195-F214 HydrophobicContact CB-CZ 3.41Å; F195-F214 VanDerWaalsContact CB-CZ 3.41Å; F195-F214 AromaticContact CD1-CD1 3.92Å; F195-F214 HydrophobicContact CD1-CD1 3.92Å; F195-F214 AromaticContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD1-CE1 3.8Å; F195-F214 HydrophobicContact CD2-CB 4.08Å; F195-F214 AromaticContact CD2-CD1 3.5Å; F195-F214 HydrophobicContact CD2-CD1 3.5Å; F195-F214 AromaticContact CD2-CD2 3.78Å; F195-F214 HydrophobicContact CD2-CD2 3.78Å; F195-F214 AromaticContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE1 3.82Å; F195-F214 HydrophobicContact CD2-CE2 4.08Å; F195-F214 AromaticContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CG 3.48Å; F195-F214 VanDerWaalsContact CD2-CG 3.48Å; F195-F214 HydrophobicContact CD2-CZ 4.1Å; F195-F214 HydrophobicContact CE1-CD1 4.19Å; F195-F214 HydrophobicContact CE1-CE1 4.48Å; F195-F214 HydrophobicContact CE2-CB 3.87Å; F195-F214 AromaticContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD1 3.79Å; F195-F214 HydrophobicContact CE2-CD2 4.43Å; F195-F214 HydrophobicContact CE2-CE1 4.49Å; F195-F214 AromaticContact CE2-CG 3.75Å; F195-F214 HydrophobicContact CE2-CG 3.75Å; F195-F214 AromaticContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD1 3.58Å; F195-F214 HydrophobicContact CG-CD2 4.29Å; F195-F214 AromaticContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE1 3.44Å; F195-F214 VanDerWaalsContact CG-CE1 3.44Å; F195-F214 HydrophobicContact CG-CE2 4.17Å; F195-F214 HydrophobicContact CG-CG 4.02Å; F195-F214 AromaticContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CG-CZ 3.76Å; F195-F214 HydrophobicContact CZ-CD1 4.13Å; F195-F214 HydrophobicContact CZ-CG 4.49Å; A210-F214 WeakPolarHBondContact O-CB 3.47Å; A210-F214 PolarHBondContact O-N 3.33Å; A210-F214 VanDerWaalsContact O-N 3.1Å; D212-F214 VanDerWaalsContact C-N 3.28Å; D212-F214 PolarHBondContact O-N 3.31Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.76Å; F214-E217 PolarHBondContact O-N 2.92Å; F214-I218 HydrophobicContact CD1-CD1 4.38Å; F214-I218 HydrophobicContact CD2-CG2 4.3Å; F214-I218 HydrophobicContact CE1-CD1 3.63Å; F214-I218 HydrophobicContact CE1-CG1 4.38Å; F214-I218 HydrophobicContact CE2-CG2 3.74Å; F214-I218 HydrophobicContact CZ-CD1 3.7Å; F214-I218 HydrophobicContact CZ-CG1 4.39Å; F214-I218 HydrophobicContact CZ-CG2 3.95Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 3.34Å; F214-I218 VanDerWaalsContact O-N 3.11Å; F214-L225 HydrophobicContact CD1-CD2 3.63Å; F214-L225 HydrophobicContact CE1-CD1 4.47Å; F214-L225 HydrophobicContact CE1-CD2 3.55Å |
| 215 | C | 95.3 | Very high | 91.4 | Very high | 3 Ų | 3 | 77.4 Ų | 77.4 | 2% | 0.02 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59 | -39.9 | 177.8 | -75.2 | 0 | 0 | 0 | 0 | 112.9 | L211 D212 G219 V220 R222 | L211-C215 VanDerWaalsContact O-CB 3.31Å; L211-C215 WeakPolarHBondContact O-CB 3.29Å; L211-C215 PolarHBondContact O-N 3.09Å; L211-C215 PolarHBondContact O-SG 3.05Å; D212-C215 WeakPolarHBondContact O-CB 3.27Å; D212-C215 PolarHBondContact O-N 3.06Å; C215-G219 PolarHBondContact O-N 3.25Å; C215-G219 VanDerWaalsContact O-N 3.11Å; C215-V220 WeakPolarHBondContact CA-O 3.42Å; C215-V220 WeakPolarHBondContact CB-O 3.38Å; C215-V220 PolarHBondContact O-N 3.16Å; C215-V220 PolarHBondContact SG-O 3.2Å; C215-R222 VanDerWaalsContact SG-CA 3.52Å |
| 216 | D | 95.2 | Very high | 92 | Very high | 127 Ų | 127 | 72.7 Ų | 72.7 | 68% | 0.679 | 38% | 0.382 | S | S | * | . | H | α-helix | trans | -69.5 | -43.3 | 178.2 | -67.2 | -25.3 | 0 | 0 | 0 | 111.3 | D212 R213 F214 G219 | D212-D216 PolarHBondContact O-N 3.36Å; R213-D216 PolarHBondContact O-N 3.08Å; F214-D216 VanDerWaalsContact C-N 3.3Å; F214-D216 PolarHBondContact O-N 2.76Å; D216-G219 PolarHBondContact O-N 2.81Å |
| 217 | E | 95.8 | Very high | 92.5 | Very high | 134 Ų | 134 | 69.6 Ų | 69.6 | 63% | 0.626 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -58.3 | -48.7 | 176.4 | -175 | -176.1 | -46.4 | 0 | 0 | 112.1 | R191 R213 F214 G219 | R191-E217 IonicContact NH1-OE2 3.67Å; R191-E217 PolarHBondContact NH1-OE2 2.93Å; R213-E217 PolarHBondContact O-N 2.86Å; F214-E217 PolarHBondContact O-N 2.92Å; E217-G219 VanDerWaalsContact C-N 3.31Å; E217-G219 PolarHBondContact O-N 2.81Å |
| 218 | I | 95.3 | Very high | 93 | Very high | 16 Ų | 16 | 68.5 Ų | 68.5 | 8% | 0.082 | 36% | 0.36 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -4.2 | -178.9 | 69.4 | 165.5 | 0 | 0 | 0 | 113.8 | Q188 R191 M192 F214 V220 | Q188-I218 PolarHBondContact NE2-O 2.94Å; R191-I218 HydrophobicContact CB-CG2 3.91Å; R191-I218 HydrophobicContact CG-CG2 4.42Å; M192-I218 HydrophobicContact CG-CD1 3.4Å; M192-I218 VanDerWaalsContact CG-CD1 3.4Å; M192-I218 HydrophobicContact SD-CD1 4.07Å; F214-I218 HydrophobicContact CD1-CD1 4.38Å; F214-I218 HydrophobicContact CD2-CG2 4.3Å; F214-I218 HydrophobicContact CE1-CD1 3.63Å; F214-I218 HydrophobicContact CE1-CG1 4.38Å; F214-I218 HydrophobicContact CE2-CG2 3.74Å; F214-I218 HydrophobicContact CZ-CD1 3.7Å; F214-I218 HydrophobicContact CZ-CG1 4.39Å; F214-I218 HydrophobicContact CZ-CG2 3.95Å; F214-I218 WeakPolarHBondContact O-CG1 3.48Å; F214-I218 PolarHBondContact O-N 3.34Å; F214-I218 VanDerWaalsContact O-N 3.11Å; I218-V220 HydrophobicContact CD1-CB 3.68Å; I218-V220 HydrophobicContact CD1-CG2 3.73Å; I218-V220 HydrophobicContact CG1-CB 3.82Å; I218-V220 HydrophobicContact CG1-CG2 3.9Å; I218-V220 PolarHBondContact O-N 3.24Å |
| 219 | G | 95.2 | Very high | 93.4 | Very high | 62 Ų | 62 | 65.3 Ų | 65.3 | 64% | 0.639 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.5 | 28.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | C215 D216 E217 | C215-G219 PolarHBondContact O-N 3.25Å; C215-G219 VanDerWaalsContact O-N 3.11Å; D216-G219 PolarHBondContact O-N 2.81Å; E217-G219 VanDerWaalsContact C-N 3.31Å; E217-G219 PolarHBondContact O-N 2.81Å |
| 220 | V | 94.6 | Very high | 93.4 | Very high | 8 Ų | 8 | 69.9 Ų | 69.9 | 5% | 0.048 | 35% | 0.352 | C | S | . | . | trans | -120.4 | 117.7 | -178.3 | 179.2 | 0 | 0 | 0 | 0 | 110.6 | F184 M192 C215 I218 R222 V224 L225 | F184-V220 HydrophobicContact CD1-CG2 3.92Å; F184-V220 HydrophobicContact CE1-CG1 3.82Å; F184-V220 HydrophobicContact CE1-CG2 3.96Å; M192-V220 HydrophobicContact CE-CG1 4.09Å; M192-V220 HydrophobicContact SD-CG1 4.48Å; M192-V220 HydrophobicContact SD-CG2 4.18Å; C215-V220 WeakPolarHBondContact CA-O 3.42Å; C215-V220 WeakPolarHBondContact CB-O 3.38Å; C215-V220 PolarHBondContact O-N 3.16Å; C215-V220 PolarHBondContact SG-O 3.2Å; I218-V220 HydrophobicContact CD1-CB 3.68Å; I218-V220 HydrophobicContact CD1-CG2 3.73Å; I218-V220 HydrophobicContact CG1-CB 3.82Å; I218-V220 HydrophobicContact CG1-CG2 3.9Å; I218-V220 PolarHBondContact O-N 3.24Å; V220-R222 PolarHBondContact O-N 2.94Å; V220-V224 HydrophobicContact CG1-CB 3.98Å; V220-V224 HydrophobicContact CG1-CG1 3.81Å; V220-L225 HydrophobicContact CG1-CB 4.32Å | ||
| 221 | K | 93.6 | Very high | 93.4 | Very high | 169 Ų | 169 | 72.2 Ų | 72.2 | 74% | 0.735 | 36% | 0.356 | S | S | * | . | trans | -54.6 | 135.5 | 179 | -62.5 | -176.7 | 177 | -174.8 | 0 | 112.3 | Q223 V224 L225 | K221-Q223 VanDerWaalsContact C-N 3.27Å; K221-Q223 PolarHBondContact O-N 2.8Å; K221-V224 HydrophobicContact CB-CB 4.47Å; K221-V224 HydrophobicContact CB-CG2 4.15Å; K221-V224 WeakPolarHBondContact O-CA 3.2Å; K221-V224 VanDerWaalsContact O-CB 3.3Å; K221-V224 WeakPolarHBondContact O-CB 3.22Å; K221-V224 PolarHBondContact O-N 3.21Å; K221-L225 PolarHBondContact O-N 3.12Å; K221-L225 VanDerWaalsContact O-N 3.08Å | ||
| 222 | R | 93.3 | Very high | 93.3 | Very high | 60 Ų | 60 | 74.4 Ų | 74.4 | 23% | 0.226 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -35.5 | -51.3 | 172.3 | 173.4 | -177.9 | -69.5 | -77 | -26.2 | 114.8 | D208 L211 D212 C215 V220 V224 L225 K226 | D208-R222 PolarHBondContact O-NH2 2.87Å; D208-R222 IonicContact OD1-CZ 2.65Å; D208-R222 IonicContact OD1-NH1 3.75Å; D208-R222 PolarHBondContact OD1-NH1 3.17Å; L211-R222 VanDerWaalsContact C-NH2 3.32Å; D212-R222 IonicContact OD1-CZ 3.61Å; D212-R222 IonicContact OD1-NE 2.7Å; D212-R222 PolarHBondContact OD1-NE 3.4Å; D212-R222 IonicContact OD1-NH2 2.62Å; D212-R222 PolarHBondContact OD1-NH2 3.35Å; D212-R222 IonicContact OD2-CZ 2.84Å; D212-R222 IonicContact OD2-NE 3.15Å; D212-R222 IonicContact OD2-NH2 3.18Å; D212-R222 PolarHBondContact OD2-NH2 3.47Å; D212-R222 VanDerWaalsContact OD2-NH2 3.15Å; C215-R222 VanDerWaalsContact SG-CA 3.52Å; V220-R222 PolarHBondContact O-N 2.94Å; R222-V224 VanDerWaalsContact C-N 3.32Å; R222-V224 PolarHBondContact O-N 3.28Å; R222-L225 PolarHBondContact O-N 3.04Å; R222-K226 WeakPolarHBondContact O-CB 3.35Å; R222-K226 PolarHBondContact O-N 2.85Å |
| 223 | Q | 91.6 | Very high | 92.9 | Very high | 122 Ų | 122 | 75.9 Ų | 75.9 | 57% | 0.57 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -66.4 | -32.8 | -179.1 | -179.2 | 65.2 | -8 | 0 | 0 | 113 | K221 V227 | K221-Q223 VanDerWaalsContact C-N 3.27Å; K221-Q223 PolarHBondContact O-N 2.8Å; Q223-V227 VanDerWaalsContact O-CG2 3.29Å; Q223-V227 WeakPolarHBondContact O-CG2 3.43Å; Q223-V227 PolarHBondContact O-N 2.88Å; Q223-V227 VanDerWaalsContact O-N 3.09Å |
| 224 | V | 94 | Very high | 91.9 | Very high | 45 Ų | 45 | 71.8 Ų | 71.8 | 27% | 0.273 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -71.2 | -44.9 | 176.4 | 175.6 | 0 | 0 | 0 | 0 | 110.2 | F184 V220 K221 R222 V227 W228 | F184-V224 HydrophobicContact CE1-CG1 3.74Å; F184-V224 HydrophobicContact CZ-CG1 3.5Å; F184-V224 VanDerWaalsContact CZ-CG1 3.5Å; V220-V224 HydrophobicContact CG1-CB 3.98Å; V220-V224 HydrophobicContact CG1-CG1 3.81Å; K221-V224 HydrophobicContact CB-CB 4.47Å; K221-V224 HydrophobicContact CB-CG2 4.15Å; K221-V224 WeakPolarHBondContact O-CA 3.2Å; K221-V224 VanDerWaalsContact O-CB 3.3Å; K221-V224 WeakPolarHBondContact O-CB 3.22Å; K221-V224 PolarHBondContact O-N 3.21Å; R222-V224 VanDerWaalsContact C-N 3.32Å; R222-V224 PolarHBondContact O-N 3.28Å; V224-V227 PolarHBondContact O-N 3.1Å; V224-W228 VanDerWaalsContact O-CB 3.3Å; V224-W228 WeakPolarHBondContact O-CB 3.02Å; V224-W228 PolarHBondContact O-N 2.98Å |
| 225 | L | 93.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 73.4 Ų | 73.4 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -60.8 | -44.3 | 173.7 | 175.2 | 57 | 0 | 0 | 0 | 111.8 | M192 F195 L211 F214 V220 K221 R222 V227 W228 M229 | M192-L225 HydrophobicContact CB-CD1 4.25Å; M192-L225 HydrophobicContact CE-CB 4.38Å; M192-L225 HydrophobicContact CE-CD1 3.58Å; M192-L225 HydrophobicContact CG-CD1 4.01Å; F195-L225 HydrophobicContact CD1-CD2 4.26Å; F195-L225 HydrophobicContact CE1-CD2 4.23Å; L211-L225 HydrophobicContact CD1-CD2 3.47Å; L211-L225 VanDerWaalsContact CD1-CD2 3.47Å; L211-L225 HydrophobicContact CD1-CG 4.43Å; F214-L225 HydrophobicContact CD1-CD2 3.63Å; F214-L225 HydrophobicContact CE1-CD1 4.47Å; F214-L225 HydrophobicContact CE1-CD2 3.55Å; V220-L225 HydrophobicContact CG1-CB 4.32Å; K221-L225 PolarHBondContact O-N 3.12Å; K221-L225 VanDerWaalsContact O-N 3.08Å; R222-L225 PolarHBondContact O-N 3.04Å; L225-V227 PolarHBondContact O-N 3.35Å; L225-W228 HydrophobicContact CD1-CE3 4.03Å; L225-W228 WeakPolarHBondContact O-CB 3.48Å; L225-W228 PolarHBondContact O-N 2.95Å; L225-M229 HydrophobicContact CD1-CG 3.95Å; L225-M229 HydrophobicContact CD1-SD 4.14Å; L225-M229 HydrophobicContact CG-CG 4.47Å; L225-M229 HydrophobicContact CG-SD 4.23Å; L225-M229 WeakPolarHBondContact O-CG 3.45Å; L225-M229 PolarHBondContact O-N 2.97Å |
| 226 | K | 93.2 | Very high | 88.9 | Confident | 117 Ų | 117 | 76.3 Ų | 76.3 | 51% | 0.509 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -58.5 | -44.7 | 175.5 | 179.6 | 174.3 | 179 | 175.1 | 0 | 113 | I203 R222 H230 | I203-K226 HydrophobicContact CD1-CB 3.82Å; I203-K226 HydrophobicContact CD1-CG 4.1Å; R222-K226 WeakPolarHBondContact O-CB 3.35Å; R222-K226 PolarHBondContact O-N 2.85Å; K226-H230 WeakPolarHBondContact O-CB 3.39Å; K226-H230 PolarHBondContact O-N 2.78Å; K226-H230 VanDerWaalsContact O-N 3.08Å |
| 227 | V | 92 | Very high | 87.1 | Confident | 85 Ų | 85 | 73.3 Ų | 73.3 | 52% | 0.515 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -67.9 | -37.7 | 176 | 170.3 | 0 | 0 | 0 | 0 | 111.2 | Q223 V224 L225 H230 N231 | Q223-V227 VanDerWaalsContact O-CG2 3.29Å; Q223-V227 WeakPolarHBondContact O-CG2 3.43Å; Q223-V227 PolarHBondContact O-N 2.88Å; Q223-V227 VanDerWaalsContact O-N 3.09Å; V224-V227 PolarHBondContact O-N 3.1Å; L225-V227 PolarHBondContact O-N 3.35Å; V227-H230 PolarHBondContact O-N 3.06Å; V227-N231 WeakPolarHBondContact O-CB 3.1Å; V227-N231 PolarHBondContact O-N 3.21Å |
| 228 | W | 93.8 | Very high | 85.2 | Confident | 20 Ų | 20 | 68.4 Ų | 68.4 | 8% | 0.076 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -64.5 | -49.9 | 176.3 | 179.7 | 87.6 | 0 | 0 | 0 | 111.9 | F184 M192 R193 A196 W201 V224 L225 H230 N231 H232 | F184-W228 AromaticContact CE2-CD1 3.64Å; F184-W228 HydrophobicContact CE2-CG 4.37Å; M192-W228 HydrophobicContact CB-CD2 4.43Å; M192-W228 HydrophobicContact CB-CE3 4.05Å; M192-W228 HydrophobicContact CB-CH2 3.76Å; M192-W228 HydrophobicContact CB-CZ2 4.15Å; M192-W228 HydrophobicContact CB-CZ3 3.71Å; M192-W228 HydrophobicContact CE-CB 3.78Å; M192-W228 HydrophobicContact CE-CD2 3.52Å; M192-W228 HydrophobicContact CE-CE3 3.81Å; M192-W228 HydrophobicContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact CE-CG 3.49Å; M192-W228 VanDerWaalsContact O-CZ3 3.22Å; M192-W228 WeakPolarHBondContact O-CZ3 3.36Å; R193-W228 HydrophobicContact CB-CH2 4.47Å; R193-W228 HydrophobicContact CG-CH2 3.85Å; R193-W228 HydrophobicContact CG-CZ2 4.26Å; A196-W228 HydrophobicContact CB-CZ3 4.07Å; W201-W228 AromaticContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CH2 3.99Å; W201-W228 HydrophobicContact CH2-CZ3 4.1Å; W201-W228 HydrophobicContact CZ3-CH2 4.35Å; W201-W228 HydrophobicContact CZ3-CZ3 4.06Å; V224-W228 VanDerWaalsContact O-CB 3.3Å; V224-W228 WeakPolarHBondContact O-CB 3.02Å; V224-W228 PolarHBondContact O-N 2.98Å; L225-W228 HydrophobicContact CD1-CE3 4.03Å; L225-W228 WeakPolarHBondContact O-CB 3.48Å; L225-W228 PolarHBondContact O-N 2.95Å; W228-H230 VanDerWaalsContact C-N 3.3Å; W228-H230 PolarHBondContact O-N 3.08Å; W228-N231 PolarHBondContact O-N 3.42Å; W228-H232 AromaticContact CD1-CD2 3.4Å; W228-H232 AromaticContact CD1-NE2 3.58Å; W228-H232 AromaticContact CD2-CD2 3.88Å; W228-H232 AromaticContact CE2-CD2 3.44Å; W228-H232 VanDerWaalsContact CE2-CD2 3.44Å; W228-H232 AromaticContact CE2-CG 3.97Å; W228-H232 AromaticContact CE2-NE2 3.85Å; W228-H232 AromaticContact CG-CD2 3.88Å; W228-H232 HydrophobicContact CZ2-CB 4.45Å; W228-H232 AromaticContact NE1-CD2 3.1Å; W228-H232 PolarHBondContact NE1-CD2 3.46Å; W228-H232 AromaticContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact NE1-NE2 3.16Å; W228-H232 VanDerWaalsContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact O-CD2 2.84Å; W228-H232 PolarHBondContact O-N 2.9Å |
| 229 | M | 93.5 | Very high | 83.6 | Confident | 4 Ų | 4 | 71.8 Ų | 71.8 | 2% | 0.02 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57.9 | -42.8 | 175.2 | -71.8 | 179.2 | 68.5 | 0 | 0 | 111.2 | F195 A196 Q199 W201 I203 L225 N231 H232 K233 | F195-M229 HydrophobicContact CD1-SD 4.47Å; F195-M229 HydrophobicContact CE1-SD 4.5Å; A196-M229 HydrophobicContact CB-CE 3.85Å; A196-M229 HydrophobicContact CB-CG 4.02Å; A196-M229 HydrophobicContact CB-SD 4.34Å; Q199-M229 HydrophobicContact CB-CE 4.35Å; W201-M229 HydrophobicContact CE3-CB 4.46Å; I203-M229 HydrophobicContact CD1-SD 3.81Å; I203-M229 HydrophobicContact CG1-CE 4.09Å; I203-M229 HydrophobicContact CG1-SD 3.77Å; L225-M229 HydrophobicContact CD1-CG 3.95Å; L225-M229 HydrophobicContact CD1-SD 4.14Å; L225-M229 HydrophobicContact CG-CG 4.47Å; L225-M229 HydrophobicContact CG-SD 4.23Å; L225-M229 WeakPolarHBondContact O-CG 3.45Å; L225-M229 PolarHBondContact O-N 2.97Å; M229-N231 VanDerWaalsContact C-N 3.31Å; M229-N231 PolarHBondContact O-N 3.09Å; M229-H232 PolarHBondContact O-N 2.97Å; M229-K233 VanDerWaalsContact O-CB 3.31Å; M229-K233 WeakPolarHBondContact O-CB 3.31Å; M229-K233 PolarHBondContact O-N 2.82Å |
| 230 | H | 89.2 | Confident | 81.9 | Confident | 142 Ų | 142 | 72.3 Ų | 72.3 | 66% | 0.657 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -61.5 | -37.7 | 175.6 | 179.1 | 79.9 | 0 | 0 | 0 | 112.9 | K226 V227 W228 | K226-H230 WeakPolarHBondContact O-CB 3.39Å; K226-H230 PolarHBondContact O-N 2.78Å; K226-H230 VanDerWaalsContact O-N 3.08Å; V227-H230 PolarHBondContact O-N 3.06Å; W228-H230 VanDerWaalsContact C-N 3.3Å; W228-H230 PolarHBondContact O-N 3.08Å |
| 231 | N | 89.3 | Confident | 80.2 | Confident | 104 Ų | 104 | 76.6 Ų | 76.6 | 56% | 0.556 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -73.3 | -40.4 | 178.8 | -169.6 | -109.3 | 0 | 0 | 0 | 112.7 | V227 W228 M229 | V227-N231 WeakPolarHBondContact O-CB 3.1Å; V227-N231 PolarHBondContact O-N 3.21Å; W228-N231 PolarHBondContact O-N 3.42Å; M229-N231 VanDerWaalsContact C-N 3.31Å; M229-N231 PolarHBondContact O-N 3.09Å |
| 232 | H | 88.1 | Confident | 78.5 | Confident | 49 Ų | 49 | 71 Ų | 71 | 23% | 0.227 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -89.8 | -16.5 | -174.3 | -77.4 | -87.9 | 0 | 0 | 0 | 114.5 | W201 W228 M229 N234 Q235 | W201-H232 HydrophobicContact CH2-CB 3.88Å; W201-H232 HydrophobicContact CZ3-CB 3.55Å; W228-H232 AromaticContact CD1-CD2 3.4Å; W228-H232 AromaticContact CD1-NE2 3.58Å; W228-H232 AromaticContact CD2-CD2 3.88Å; W228-H232 AromaticContact CE2-CD2 3.44Å; W228-H232 VanDerWaalsContact CE2-CD2 3.44Å; W228-H232 AromaticContact CE2-CG 3.97Å; W228-H232 AromaticContact CE2-NE2 3.85Å; W228-H232 AromaticContact CG-CD2 3.88Å; W228-H232 HydrophobicContact CZ2-CB 4.45Å; W228-H232 AromaticContact NE1-CD2 3.1Å; W228-H232 PolarHBondContact NE1-CD2 3.46Å; W228-H232 AromaticContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact NE1-NE2 3.16Å; W228-H232 VanDerWaalsContact NE1-NE2 3.12Å; W228-H232 PolarHBondContact O-CD2 2.84Å; W228-H232 PolarHBondContact O-N 2.9Å; M229-H232 PolarHBondContact O-N 2.97Å; H232-N234 PolarHBondContact O-N 3.41Å; H232-Q235 PolarHBondContact CE1-OE1 3.22Å; H232-Q235 PolarHBondContact ND1-OE1 3.28Å; H232-Q235 WeakPolarHBondContact O-CB 3.32Å; H232-Q235 PolarHBondContact O-N 3.14Å |
| 233 | K | 86.2 | Confident | 76.8 | Confident | 101 Ų | 101 | 71 Ų | 71 | 44% | 0.439 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -49.9 | -38.1 | 179.6 | 179.6 | 176.5 | 66.8 | 157.2 | 0 | 114 | W201 M229 Q235 | W201-K233 HydrophobicContact CB-CB 4.23Å; W201-K233 HydrophobicContact CB-CD 4.05Å; W201-K233 HydrophobicContact CB-CG 3.77Å; W201-K233 HydrophobicContact CD2-CB 4.44Å; W201-K233 VanDerWaalsContact CE3-CA 3.46Å; W201-K233 HydrophobicContact CE3-CB 3.94Å; W201-K233 HydrophobicContact CG-CG 4.36Å; M229-K233 VanDerWaalsContact O-CB 3.31Å; M229-K233 WeakPolarHBondContact O-CB 3.31Å; M229-K233 PolarHBondContact O-N 2.82Å; K233-Q235 VanDerWaalsContact C-N 3.33Å |
| 234 | N | 72 | Confident | 75.1 | Confident | 113 Ų | 113 | 68.3 Ų | 68.3 | 60% | 0.604 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -82.9 | -9.6 | -178.1 | -65.1 | 17.8 | 0 | 0 | 0 | 113.1 | H232 S238 | H232-N234 PolarHBondContact O-N 3.41Å; N234-S238 PolarHBondContact O-N 3.24Å; N234-S238 PolarHBondContact O-OG 2.97Å |
| 235 | Q | 65.7 | Low | 73.5 | Confident | 60 Ų | 60 | 68.5 Ų | 68.5 | 28% | 0.28 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -75.8 | -32.6 | -179.9 | -67.1 | -172.9 | -5.8 | 0 | 0 | 112.7 | H232 K233 S238 N239 | H232-Q235 PolarHBondContact CE1-OE1 3.22Å; H232-Q235 PolarHBondContact ND1-OE1 3.28Å; H232-Q235 WeakPolarHBondContact O-CB 3.32Å; H232-Q235 PolarHBondContact O-N 3.14Å; K233-Q235 VanDerWaalsContact C-N 3.33Å; Q235-S238 WeakPolarHBondContact CA-OG 3.31Å; Q235-S238 PolarHBondContact O-N 2.65Å; Q235-S238 PolarHBondContact O-OG 2.85Å; Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 3.09Å; Q235-N239 PolarHBondContact O-OD1 2.77Å |
| 236 | L | 61.9 | Low | 71.8 | Confident | 65 Ų | 65 | 72 Ų | 72 | 34% | 0.34 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.3 | -64.8 | -166.5 | 0 | 0 | 0 | 111.9 | E197 W201 S238 N239 S240 | E197-L236 HydrophobicContact CG-CD1 4.27Å; W201-L236 HydrophobicContact CZ2-CD1 3.65Å; W201-L236 HydrophobicContact CZ2-CD2 4.48Å; W201-L236 HydrophobicContact CZ2-CG 3.93Å; L236-S238 VanDerWaalsContact C-N 3.27Å; L236-S238 PolarHBondContact O-N 2.97Å; L236-N239 PolarHBondContact O-N 2.91Å; L236-S240 PolarHBondContact O-N 2.8Å; L236-S240 PolarHBondContact O-OG 2.66Å |
| 237 | A | 58.1 | Low | 70.1 | Confident | 63 Ų | 63 | 70.3 Ų | 70.3 | 52% | 0.521 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -66.2 | -26.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | S240 V241 | A237-S240 PolarHBondContact O-OG 3.31Å; A237-V241 VanDerWaalsContact O-CG2 3.28Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å |
| 238 | S | 55.4 | Low | 68.4 | Low | 31 Ų | 31 | 69.4 Ų | 69.4 | 22% | 0.217 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -85.3 | -31.2 | 171.3 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | N234 Q235 L236 V241 A242 | N234-S238 PolarHBondContact O-N 3.24Å; N234-S238 PolarHBondContact O-OG 2.97Å; Q235-S238 WeakPolarHBondContact CA-OG 3.31Å; Q235-S238 PolarHBondContact O-N 2.65Å; Q235-S238 PolarHBondContact O-OG 2.85Å; L236-S238 VanDerWaalsContact C-N 3.27Å; L236-S238 PolarHBondContact O-N 2.97Å; S238-V241 PolarHBondContact O-N 3.26Å; S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 2.91Å |
| 239 | N | 60.8 | Low | 66.7 | Low | 88 Ų | 88 | 73.6 Ų | 73.6 | 47% | 0.471 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.5 | -38.8 | 177.6 | -74.5 | 5.9 | 0 | 0 | 0 | 111.9 | Q235 L236 A242 A243 | Q235-N239 WeakPolarHBondContact O-CB 3.37Å; Q235-N239 PolarHBondContact O-N 3.09Å; Q235-N239 PolarHBondContact O-OD1 2.77Å; L236-N239 PolarHBondContact O-N 2.91Å; N239-A242 PolarHBondContact O-N 2.85Å; N239-A243 WeakPolarHBondContact O-CB 3.29Å; N239-A243 PolarHBondContact O-N 3.01Å |
| 240 | S | 59.6 | Low | 64.2 | Low | 73 Ų | 73 | 76.3 Ų | 76.3 | 51% | 0.51 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -40.6 | 174 | 56.3 | 0 | 0 | 0 | 0 | 112 | L236 A237 A244 | L236-S240 PolarHBondContact O-N 2.8Å; L236-S240 PolarHBondContact O-OG 2.66Å; A237-S240 PolarHBondContact O-OG 3.31Å; S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.15Å |
| 241 | V | 59.8 | Low | 62.3 | Low | 98 Ų | 98 | 76.8 Ų | 76.8 | 59% | 0.594 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -70.1 | -37.2 | 175.5 | 176.3 | 0 | 0 | 0 | 0 | 111.9 | A237 S238 A245 | A237-V241 VanDerWaalsContact O-CG2 3.28Å; A237-V241 WeakPolarHBondContact O-CG2 3.47Å; S238-V241 PolarHBondContact O-N 3.26Å; V241-A245 VanDerWaalsContact O-CB 3.27Å; V241-A245 WeakPolarHBondContact O-CB 3.26Å; V241-A245 PolarHBondContact O-N 2.84Å |
| 242 | A | 58.6 | Low | 60.6 | Low | 52 Ų | 52 | 76.3 Ų | 76.3 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.6 | -39.3 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | S238 N239 A245 A246 | S238-A242 WeakPolarHBondContact O-CB 3.3Å; S238-A242 PolarHBondContact O-N 2.91Å; N239-A242 PolarHBondContact O-N 2.85Å; A242-A245 PolarHBondContact O-N 2.99Å; A242-A246 WeakPolarHBondContact O-CB 3.24Å; A242-A246 PolarHBondContact O-N 2.7Å |
| 243 | A | 56.5 | Low | 58.7 | Low | 60 Ų | 60 | 80.3 Ų | 80.3 | 50% | 0.496 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.6 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | N239 A245 A246 A247 | N239-A243 WeakPolarHBondContact O-CB 3.29Å; N239-A243 PolarHBondContact O-N 3.01Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 2.66Å; A243-A246 PolarHBondContact O-N 3.47Å; A243-A247 WeakPolarHBondContact O-CB 3.34Å; A243-A247 PolarHBondContact O-N 2.72Å |
| 244 | A | 57 | Low | 56.8 | Low | 65 Ų | 65 | 79.9 Ų | 79.9 | 54% | 0.537 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -63.9 | -36.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | S240 G248 | S240-A244 WeakPolarHBondContact O-CB 3.37Å; S240-A244 PolarHBondContact O-N 3.15Å; A244-G248 PolarHBondContact O-N 3.24Å |
| 245 | A | 58.7 | Low | 55.5 | Low | 48 Ų | 48 | 79.4 Ų | 79.4 | 40% | 0.397 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.3 | -41 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V241 A242 A243 G248 I249 | V241-A245 VanDerWaalsContact O-CB 3.27Å; V241-A245 WeakPolarHBondContact O-CB 3.26Å; V241-A245 PolarHBondContact O-N 2.84Å; A242-A245 PolarHBondContact O-N 2.99Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 2.66Å; A245-G248 PolarHBondContact O-N 3.3Å; A245-I249 WeakPolarHBondContact O-CB 3.45Å; A245-I249 WeakPolarHBondContact O-CD1 3.44Å; A245-I249 WeakPolarHBondContact O-CG1 3.24Å; A245-I249 PolarHBondContact O-N 3.48Å |
| 246 | A | 57.7 | Low | 54.4 | Low | 73 Ų | 73 | 80.2 Ų | 80.2 | 60% | 0.603 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.1 | -37.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A242 A243 | A242-A246 WeakPolarHBondContact O-CB 3.24Å; A242-A246 PolarHBondContact O-N 2.7Å; A243-A246 PolarHBondContact O-N 3.47Å |
| 247 | A | 58 | Low | 53.9 | Low | 82 Ų | 82 | 82 Ų | 82 | 68% | 0.678 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -74.7 | -34.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | A243 | A243-A247 WeakPolarHBondContact O-CB 3.34Å; A243-A247 PolarHBondContact O-N 2.72Å |
| 248 | G | 56.6 | Low | 53.4 | Low | 66 Ų | 66 | 82.5 Ų | 82.5 | 68% | 0.68 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -75.6 | -26.8 | 177 | 0 | 0 | 0 | 0 | 0 | 113.8 | A244 A245 G250 | A244-G248 PolarHBondContact O-N 3.24Å; A245-G248 PolarHBondContact O-N 3.3Å; G248-G250 VanDerWaalsContact C-N 3.29Å; G248-G250 PolarHBondContact O-N 2.62Å |
| 249 | I | 57.7 | Low | 52.8 | Low | 108 Ų | 108 | 87.8 Ų | 87.8 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -86.4 | 77.5 | 166.3 | -55.5 | 161.9 | 0 | 0 | 0 | 107.3 | A245 L251 | A245-I249 WeakPolarHBondContact O-CB 3.45Å; A245-I249 WeakPolarHBondContact O-CD1 3.44Å; A245-I249 WeakPolarHBondContact O-CG1 3.24Å; A245-I249 PolarHBondContact O-N 3.48Å; I249-L251 HydrophobicContact CG2-CD1 3.67Å; I249-L251 HydrophobicContact CG2-CG 3.94Å; I249-L251 PolarHBondContact O-N 2.96Å |
| 250 | G | 41.8 | Very low | 52.3 | Low | 62 Ų | 62 | 88.4 Ų | 88.4 | 64% | 0.639 | 67% | 0.674 | S | S | * | * | trans | -64 | 73.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | G248 S252 | G248-G250 VanDerWaalsContact C-N 3.29Å; G248-G250 PolarHBondContact O-N 2.62Å; G250-S252 PolarHBondContact O-N 3.21Å | ||
| 251 | L | 48.1 | Very low | 51.8 | Low | 152 Ų | 152 | 92 Ų | 92 | 80% | 0.796 | 69% | 0.693 | S | S | * | * | trans | -77.2 | 64.3 | 168.8 | -82.2 | 155.4 | 0 | 0 | 0 | 109.3 | I249 | I249-L251 HydrophobicContact CG2-CD1 3.67Å; I249-L251 HydrophobicContact CG2-CG 3.94Å; I249-L251 PolarHBondContact O-N 2.96Å | ||
| 252 | S | 53.6 | Low | 51.6 | Low | 94 Ų | 94 | 90.8 Ų | 90.8 | 66% | 0.657 | 70% | 0.7 | S | S | * | * | trans | -54.9 | 134.3 | 162.3 | -53.5 | 0 | 0 | 0 | 0 | 108.5 | G250 A254 | G250-S252 PolarHBondContact O-N 3.21Å; S252-A254 PolarHBondContact O-N 3.02Å | ||
| 253 | P | 49.6 | Very low | 51.3 | Low | 133 Ų | 133 | 95.6 Ų | 95.6 | 86% | 0.864 | 72% | 0.724 | S | S | * | * | trans | -72.9 | 74.7 | 172.5 | 30.8 | -33.8 | 0 | 0 | 0 | 109.3 | A255 | P253-A255 PolarHBondContact O-N 2.91Š| ||
| 254 | A | 45 | Very low | 51.1 | Low | 92 Ų | 92 | 96.2 Ų | 96.2 | 76% | 0.76 | 74% | 0.736 | S | S | * | * | trans | -71.2 | 110.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 110.3 | S252 | S252-A254 PolarHBondContact O-N 3.02Š| ||
| 255 | A | 46.3 | Very low | 51 | Low | 102 Ų | 102 | 100.4 Ų | 100.4 | 84% | 0.843 | 76% | 0.755 | S | S | * | * | trans | -70.7 | 140.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | P253 | P253-A255 PolarHBondContact O-N 2.91Š| ||
| 256 | G | 42.1 | Very low | 50.7 | Low | 77 Ų | 77 | 101.7 Ų | 101.7 | 79% | 0.794 | 77% | 0.773 | S | S | * | * | trans | 91.1 | 115.6 | 155.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 257 | A | 50.5 | Low | 50.6 | Low | 103 Ų | 103 | 105.5 Ų | 105.5 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | 169.5 | 116.7 | 106.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 258 | G | 47.1 | Very low | 50.2 | Low | 74 Ų | 74 | 104.8 Ų | 104.8 | 76% | 0.763 | 79% | 0.789 | S | S | * | * | trans | 64.8 | 137.4 | 160.9 | 0 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 259 | T | 44.1 | Very low | 50.2 | Low | 142 Ų | 142 | 110 Ų | 110 | 87% | 0.871 | 80% | 0.8 | S | S | * | * | cis | -158.8 | 121.9 | 15 | -45.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 260 | A | 50.3 | Low | 50 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 83% | 0.826 | 81% | 0.814 | S | S | * | * | trans | -145.4 | 109.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | G262 | A260-G262 PolarHBondContact O-N 3.3Š| ||
| 261 | T | 49.1 | Very low | 50.7 | Low | 149 Ų | 149 | 112.3 Ų | 112.3 | 91% | 0.914 | 82% | 0.822 | S | S | * | * | trans | -70 | 114.7 | 173.6 | -55 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 262 | G | 55.3 | Low | 50.8 | Low | 72 Ų | 72 | 112.5 Ų | 112.5 | 74% | 0.742 | 82% | 0.824 | S | S | * | * | trans | -165.1 | 94.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | A260 | A260-G262 PolarHBondContact O-N 3.3Š| ||
| 263 | T | 51.8 | Low | 50.8 | Low | 154 Ų | 154 | 111 Ų | 111 | 95% | 0.945 | 82% | 0.824 | S | S | * | * | trans | -71.6 | 124.1 | 180 | -34.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 264 | G | 52.4 | Low | 51.3 | Low | 72 Ų | 72 | 111.7 Ų | 111.7 | 74% | 0.742 | 82% | 0.82 | S | S | * | * | trans | -174.9 | 100.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 265 | T | 55.1 | Low | 51.9 | Low | 154 Ų | 154 | 113.7 Ų | 113.7 | 95% | 0.945 | 82% | 0.818 | S | S | * | * | trans | -76.4 | 132.3 | -179.7 | 40.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 266 | G | 51.9 | Low | 52.7 | Low | 74 Ų | 74 | 115.2 Ų | 115.2 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -164.4 | 93.3 | 178 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 267 | V | 56.3 | Low | 53.6 | Low | 153 Ų | 153 | 119.4 Ų | 119.4 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | trans | -32.4 | 139.4 | 174.2 | -178.6 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 268 | G | 50.2 | Low | 54.1 | Low | 67 Ų | 67 | 122 Ų | 122 | 69% | 0.691 | 82% | 0.816 | S | S | * | * | trans | -102.4 | -170.2 | -176.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 269 | I | 56.2 | Low | 55 | Low | 177 Ų | 177 | 124.9 Ų | 124.9 | 91% | 0.908 | 81% | 0.814 | S | S | * | * | trans | -138 | 143.2 | 168.9 | 50.2 | 166.9 | 0 | 0 | 0 | 109.5 | ||||
| 270 | T | 54.4 | Low | 55.9 | Low | 138 Ų | 138 | 126 Ų | 126 | 85% | 0.847 | 81% | 0.814 | S | S | * | * | trans | -95.1 | 156.9 | -178.7 | 46.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 271 | G | 55 | Low | 56.9 | Low | 79 Ų | 79 | 126.7 Ų | 126.7 | 81% | 0.814 | 81% | 0.809 | S | S | * | * | trans | -166.4 | 86.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 272 | D | 50.7 | Low | 57.9 | Low | 157 Ų | 157 | 125.9 Ų | 125.9 | 84% | 0.84 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 164 | 170.1 | -66.6 | -94.9 | 0 | 0 | 0 | 111.2 | ||||
| 273 | G | 53.9 | Low | 58.6 | Low | 63 Ų | 63 | 129.7 Ų | 129.7 | 65% | 0.649 | 80% | 0.802 | S | S | * | * | trans | 130.1 | 96.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 274 | D | 59.6 | Low | 59.6 | Low | 147 Ų | 147 | 126.2 Ų | 126.2 | 79% | 0.786 | 78% | 0.784 | S | S | * | * | cis | 100.3 | 143.4 | 48.9 | -76.4 | -38.4 | 0 | 0 | 0 | 111.4 | ||||
| 275 | D | 58.1 | Low | 60.5 | Low | 134 Ų | 134 | 127.6 Ų | 127.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | trans | 55.3 | 112.8 | 166.1 | -64.6 | -146.9 | 0 | 0 | 0 | 117.3 | ||||
| 276 | D | 61.7 | Low | 61.4 | Low | 133 Ų | 133 | 126 Ų | 126 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | 94.1 | 137 | 64.6 | -80.9 | -41 | 0 | 0 | 0 | 112.2 | |||||
| 277 | D | 61 | Low | 61.5 | Low | 165 Ų | 165 | 134.9 Ų | 134.9 | 88% | 0.882 | 78% | 0.783 | S | S | * | * | trans | 159.1 | 104.4 | 144.8 | -88 | -31.8 | 0 | 0 | 0 | 110.5 | ||||
| 278 | D | 62.9 | Low | 61.7 | Low | 158 Ų | 158 | 132 Ų | 132 | 85% | 0.845 | 78% | 0.775 | S | S | * | * | trans | -78 | 131.9 | 166.3 | -65.1 | -71.3 | 0 | 0 | 0 | 110.3 | ||||
| 279 | D | 64.8 | Low | 62.1 | Low | 135 Ų | 135 | 133.1 Ų | 133.1 | 72% | 0.722 | 78% | 0.778 | S | S | * | * | trans | -132.4 | 83.6 | 167.6 | -155.3 | -48.3 | 0 | 0 | 0 | 111.3 | T281 | D279-T281 PolarHBondContact O-N 3.19Å; D279-T281 PolarHBondContact OD1-OG1 2.81Å | ||
| 280 | D | 63.1 | Low | 62.2 | Low | 164 Ų | 164 | 130.6 Ų | 130.6 | 88% | 0.877 | 77% | 0.77 | S | S | * | * | trans | -76.4 | 82.7 | 167.9 | -90.2 | -50.3 | 0 | 0 | 0 | 110.4 | D282 | D280-D282 PolarHBondContact O-N 3.35Š| ||
| 281 | T | 71.5 | Confident | 62.6 | Low | 116 Ų | 116 | 129.6 Ų | 129.6 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | trans | -83.6 | 87.4 | 176 | -22.8 | 0 | 0 | 0 | 0 | 112.6 | D279 D283 | D279-T281 PolarHBondContact O-N 3.19Å; D279-T281 PolarHBondContact OD1-OG1 2.81Å; T281-D283 PolarHBondContact O-N 2.98Å | ||
| 282 | D | 70.3 | Confident | 63.3 | Low | 131 Ų | 131 | 131.1 Ų | 131.1 | 70% | 0.701 | 77% | 0.767 | S | S | * | * | trans | -73.8 | 95.9 | 167.7 | -173 | -88.3 | 0 | 0 | 0 | 111.1 | D280 S284 | D280-D282 PolarHBondContact O-N 3.35Å; D282-S284 VanDerWaalsContact C-N 3.31Å; D282-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.5Å; D282-S284 PolarHBondContact OD1-N 2.94Å; D282-S284 PolarHBondContact OD1-OG 3.33Å | ||
| 283 | D | 70 | Confident | 64.3 | Low | 152 Ų | 152 | 129.4 Ų | 129.4 | 81% | 0.813 | 77% | 0.765 | S | S | * | * | trans | -84.6 | 71.1 | 171.2 | -167 | -113.2 | 0 | 0 | 0 | 111.2 | T281 | T281-D283 PolarHBondContact O-N 2.98Š| ||
| 284 | S | 71.4 | Confident | 65.2 | Low | 82 Ų | 82 | 131.6 Ų | 131.6 | 57% | 0.573 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -77.6 | 120.1 | 168.3 | -79.4 | 0 | 0 | 0 | 0 | 111.2 | D282 | D282-S284 VanDerWaalsContact C-N 3.31Å; D282-S284 PolarHBondContact O-N 2.9Å; D282-S284 VanDerWaalsContact O-N 3.14Å; D282-S284 WeakPolarHBondContact OD1-CB 3.5Å; D282-S284 PolarHBondContact OD1-N 2.94Å; D282-S284 PolarHBondContact OD1-OG 3.33Å |
| 285 | P | 73.2 | Confident | 66 | Low | 100 Ų | 100 | 130.6 Ų | 130.6 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 142.8 | -175.8 | 27.2 | -35 | 0 | 0 | 0 | 112.6 | R287 | P285-R287 PolarHBondContact O-N 3.19Š|
| 286 | P | 73 | Confident | 66.9 | Low | 122 Ų | 122 | 129.6 Ų | 129.6 | 79% | 0.792 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -68.6 | 118 | -173.1 | 26.4 | -34.7 | 0 | 0 | 0 | 112.5 | A288 | P286-A288 PolarHBondContact O-N 3.08Š|
| 287 | R | 53.9 | Low | 67.5 | Low | 259 Ų | 259 | 129 Ų | 129 | 98% | 0.977 | 78% | 0.779 | S | S | * | * | trans | -87.3 | 80.9 | 167.5 | -57 | -164.4 | 84.8 | -175.3 | 7.1 | 110.6 | P285 | P285-R287 PolarHBondContact O-N 3.19Š| ||
| 288 | A | 60.4 | Low | 67.6 | Low | 92 Ų | 92 | 129.1 Ų | 129.1 | 76% | 0.76 | 78% | 0.777 | S | S | * | * | trans | -139.9 | 145 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109 | P286 | P286-A288 PolarHBondContact O-N 3.08Š| ||
| 289 | A | 58.1 | Low | 67.9 | Low | 91 Ų | 91 | 126.8 Ų | 126.8 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | cis | -140.9 | 165 | 1.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 290 | V | 58.8 | Low | 67.7 | Low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 80% | 0.801 | S | S | * | * | trans | -49.5 | 136.6 | 168.6 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 291 | S | 63.6 | Low | 68 | Low | 116 Ų | 116 | 128.9 Ų | 128.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -157.6 | 94.4 | 153.7 | -82.3 | 0 | 0 | 0 | 0 | 109.3 | P293 | S291-P293 WeakPolarHBondContact O-CD 3.14Š| ||
| 292 | S | 69.9 | Low | 67.8 | Low | 112 Ų | 112 | 129.6 Ų | 129.6 | 78% | 0.783 | 80% | 0.801 | S | S | * | * | trans | -98.6 | 114.1 | 172.5 | -58.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 293 | P | 71.9 | Confident | 67.6 | Low | 121 Ų | 121 | 129.5 Ų | 129.5 | 79% | 0.786 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 143.6 | 165.4 | -14.6 | 31.6 | 0 | 0 | 0 | 111 | S291 | S291-P293 WeakPolarHBondContact O-CD 3.14Š|
| 294 | S | 70.8 | Confident | 67.5 | Low | 108 Ų | 108 | 128.2 Ų | 128.2 | 76% | 0.755 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 152.1 | -171.2 | -51 | 0 | 0 | 0 | 0 | 115.4 | ||
| 295 | P | 77.5 | Confident | 67.2 | Low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 136.3 | 159.2 | 30.6 | -33.1 | 0 | 0 | 0 | 110.6 | ||
| 296 | S | 77.2 | Confident | 66.9 | Low | 113 Ų | 113 | 133.1 Ų | 133.1 | 79% | 0.79 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -66 | 150.7 | 175 | -56.6 | 0 | 0 | 0 | 0 | 112.2 | ||
| 297 | P | 73.7 | Confident | 66.4 | Low | 122 Ų | 122 | 133.9 Ų | 133.9 | 79% | 0.792 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -73.6 | 154.7 | -177 | 30.8 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 298 | I | 63 | Low | 67.4 | Low | 167 Ų | 167 | 124.3 Ų | 124.3 | 86% | 0.856 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -60.2 | 141.5 | 166.2 | -104.8 | 167.9 | 0 | 0 | 0 | 110.1 | ||
| 299 | S | 69.4 | Low | 67.9 | Low | 109 Ų | 109 | 127 Ų | 127 | 76% | 0.762 | 83% | 0.83 | S | S | * | * | trans | -113.5 | 124.4 | 159.3 | -75.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 300 | V | 61.6 | Low | 68.8 | Low | 214 Ų | 214 | 130.3 Ų | 130.3 | 100% | 1.297 | 84% | 0.837 | S | S | * | * | trans | 33.5 | 0 | 155.6 | -170.3 | 0 | 0 | 0 | 0 | 116.9 |
Retrieved 300 of 300 residues in 107.7 ms
(Link to these results)