| 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 | 67.4 | Low | 58.6 | Low | 231 Ų | 231 | 146 Ų | 146 | 100% | 1.138 | 84% | 0.839 | S | S | * | * | 0 | 100.5 | 0 | -83 | 85.3 | 171 | 0 | 0 | 110.1 | |||||
| 2 | M | 59.8 | Low | 58.1 | Low | 191 Ų | 191 | 142.3 Ų | 142.3 | 94% | 0.941 | 83% | 0.829 | S | S | * | * | trans | -75.3 | 123.6 | 167.5 | -76.1 | 96.6 | 166 | 0 | 0 | 109.1 | N4 | M2-N4 PolarHBondContact O-N 2.99Š| ||
| 3 | K | 63.8 | Low | 57.8 | Low | 170 Ų | 170 | 139.9 Ų | 139.9 | 74% | 0.739 | 83% | 0.825 | S | S | * | * | trans | -86.6 | 104.1 | 177.7 | -65.2 | 170.4 | -179.2 | 176.8 | 0 | 108.5 | Y5 | K3-Y5 HydrophobicContact CB-CD2 4.28Å; K3-Y5 HydrophobicContact CB-CE2 4.03Å; K3-Y5 HydrophobicContact CD-CE2 4.48Å; K3-Y5 PolarHBondContact O-N 3.45Å | ||
| 4 | N | 55.3 | Low | 58 | Low | 166 Ų | 166 | 138.9 Ų | 138.9 | 89% | 0.888 | 82% | 0.82 | S | S | * | * | trans | -76.8 | 112 | 168 | -114.1 | 18.4 | 0 | 0 | 0 | 108.4 | M2 | M2-N4 PolarHBondContact O-N 2.99Š| ||
| 5 | Y | 47.6 | Very low | 58.1 | Low | 199 Ų | 199 | 135.5 Ų | 135.5 | 78% | 0.78 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 123.4 | 168.2 | -82.8 | -85.3 | 0 | 0 | 0 | 109.2 | K3 G7 | K3-Y5 HydrophobicContact CB-CD2 4.28Å; K3-Y5 HydrophobicContact CB-CE2 4.03Å; K3-Y5 HydrophobicContact CD-CE2 4.48Å; K3-Y5 PolarHBondContact O-N 3.45Å; Y5-G7 PolarHBondContact O-N 3.43Å |
| 6 | P | 63.9 | Low | 58.3 | Low | 122 Ų | 122 | 133.4 Ų | 133.4 | 79% | 0.792 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -70.9 | 127.5 | 174.9 | 29 | -31 | 0 | 0 | 0 | 109.5 | ||
| 7 | G | 59.7 | Low | 59 | Low | 63 Ų | 63 | 135.6 Ų | 135.6 | 65% | 0.649 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 158 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y5 A9 | Y5-G7 PolarHBondContact O-N 3.43Å; G7-A9 PolarHBondContact O-N 3.44Å |
| 8 | P | 62 | Low | 59.7 | Low | 132 Ų | 132 | 134.2 Ų | 134.2 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -66.8 | 134.7 | -175.8 | 27.7 | -33.3 | 0 | 0 | 0 | 111.2 | S10 | P8-S10 PolarHBondContact O-N 3.48Š|
| 9 | A | 55.4 | Low | 60.2 | Low | 99 Ų | 99 | 133.1 Ų | 133.1 | 82% | 0.818 | 78% | 0.778 | S | S | * | * | P | Polyproline II helix | trans | -52.6 | 127.2 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111 | G7 S11 | G7-A9 PolarHBondContact O-N 3.44Å; A9-S11 PolarHBondContact O-N 3.05Å |
| 10 | S | 55 | Low | 60.6 | Low | 120 Ų | 120 | 137.5 Ų | 137.5 | 84% | 0.839 | 79% | 0.787 | S | S | * | * | trans | -54.4 | 109.3 | 174.9 | -162.2 | 0 | 0 | 0 | 0 | 109.8 | P8 S12 | P8-S10 PolarHBondContact O-N 3.48Å; S10-S12 PolarHBondContact O-N 3.04Å | ||
| 11 | S | 54.5 | Low | 61.4 | Low | 113 Ų | 113 | 133 Ų | 133 | 79% | 0.79 | 77% | 0.772 | S | S | * | * | trans | -64.6 | 102.4 | 173.1 | -179.2 | 0 | 0 | 0 | 0 | 108.4 | A9 S13 | A9-S11 PolarHBondContact O-N 3.05Å; S11-S13 PolarHBondContact O-N 3.46Å | ||
| 12 | S | 52.3 | Low | 62.5 | Low | 102 Ų | 102 | 127.4 Ų | 127.4 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | trans | -58.1 | 100.5 | 173.9 | 37.2 | 0 | 0 | 0 | 0 | 110 | S10 V14 | S10-S12 PolarHBondContact O-N 3.04Å; S12-V14 PolarHBondContact O-N 3.49Å | ||
| 13 | S | 54.8 | Low | 64.2 | Low | 111 Ų | 111 | 119.9 Ų | 119.9 | 78% | 0.776 | 72% | 0.716 | S | S | * | * | trans | -66.7 | 99.5 | 167.6 | 68.7 | 0 | 0 | 0 | 0 | 107.6 | S11 A15 | S11-S13 PolarHBondContact O-N 3.46Å; S13-A15 PolarHBondContact O-N 3.01Å | ||
| 14 | V | 60.1 | Low | 65.6 | Low | 126 Ų | 126 | 113.4 Ų | 113.4 | 76% | 0.764 | 69% | 0.693 | S | S | * | * | trans | -61.7 | 108.1 | 168.9 | -155.7 | 0 | 0 | 0 | 0 | 105.9 | S12 V16 | S12-V14 PolarHBondContact O-N 3.49Å; V14-V16 PolarHBondContact O-N 3.45Å | ||
| 15 | A | 59.4 | Low | 67.6 | Low | 88 Ų | 88 | 109.9 Ų | 109.9 | 73% | 0.727 | 68% | 0.679 | S | S | * | * | trans | -63.4 | 99.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 107.5 | S13 E17 | S13-A15 PolarHBondContact O-N 3.01Å; A15-E17 PolarHBondContact O-N 3.41Å | ||
| 16 | V | 62.5 | Low | 69.9 | Low | 101 Ų | 101 | 106.8 Ų | 106.8 | 61% | 0.612 | 67% | 0.671 | S | S | * | * | trans | -68.1 | 99.3 | 175.8 | -179.1 | 0 | 0 | 0 | 0 | 106.8 | V14 V18 | V14-V16 PolarHBondContact O-N 3.45Å; V16-V18 PolarHBondContact O-N 2.91Å | ||
| 17 | E | 70.1 | Confident | 71.4 | Confident | 171 Ų | 171 | 102 Ų | 102 | 80% | 0.799 | 64% | 0.638 | S | S | * | * | trans | -55.3 | 127.1 | 174.4 | -73.6 | -168.7 | 153.7 | 0 | 0 | 109.9 | A15 K19 | A15-E17 PolarHBondContact O-N 3.41Å; E17-K19 PolarHBondContact O-N 3Å; E17-K19 VanDerWaalsContact O-N 3.13Å | ||
| 18 | V | 70.5 | Confident | 73.2 | Confident | 111 Ų | 111 | 100.1 Ų | 100.1 | 67% | 0.673 | 61% | 0.613 | S | S | * | * | trans | -68.5 | 112.7 | 176.1 | 178.8 | 0 | 0 | 0 | 0 | 108 | V16 K20 | V16-V18 PolarHBondContact O-N 2.91Å; V18-K20 PolarHBondContact O-N 3.3Å; V18-K20 VanDerWaalsContact O-N 3.12Å | ||
| 19 | K | 69.1 | Low | 74.9 | Confident | 112 Ų | 112 | 96.8 Ų | 96.8 | 49% | 0.487 | 60% | 0.597 | S | S | . | * | trans | -65.2 | 112.8 | 177.5 | -74.3 | 179.5 | 179.6 | 172.9 | 0 | 109.8 | E17 G21 G52 | E17-K19 PolarHBondContact O-N 3Å; E17-K19 VanDerWaalsContact O-N 3.13Å; K19-G21 PolarHBondContact O-N 3.14Å; K19-G52 PolarHBondContact N-O 3.45Å | ||
| 20 | K | 68.4 | Low | 76.9 | Confident | 221 Ų | 221 | 94.1 Ų | 94.1 | 96% | 0.961 | 57% | 0.569 | S | S | * | * | trans | -93.7 | 74.2 | 168.8 | -165 | 173.7 | -177.8 | -177.7 | 0 | 109 | V18 | V18-K20 PolarHBondContact O-N 3.3Å; V18-K20 VanDerWaalsContact O-N 3.12Å | ||
| 21 | G | 78.1 | Confident | 78.9 | Confident | 45 Ų | 45 | 88.4 Ų | 88.4 | 46% | 0.464 | 53% | 0.529 | S | S | . | . | S | Bend | trans | -149 | 169.5 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | K19 R53 | K19-G21 PolarHBondContact O-N 3.14Å; G21-R53 PolarHBondContact O-NH1 2.77Å; G21-R53 PolarHBondContact O-NH2 3.15Å |
| 22 | S | 90.2 | Very high | 81 | Confident | 112 Ų | 112 | 84.8 Ų | 84.8 | 78% | 0.783 | 50% | 0.502 | S | S | * | . | P | Polyproline II helix | trans | -55.8 | 147.4 | 171.7 | -170.8 | 0 | 0 | 0 | 0 | 110.6 | R53 | S22-R53 PolarHBondContact O-NH2 3.37Š|
| 23 | W | 94.6 | Very high | 83.2 | Confident | 33 Ų | 33 | 87 Ų | 87 | 13% | 0.125 | 50% | 0.495 | C | S | . | . | P | Polyproline II helix | trans | -71.3 | 131.9 | 171.9 | -76.4 | 77.7 | 0 | 0 | 0 | 109.5 | E27 L31 R53 S57 C58 R61 | W23-E27 WeakPolarHBondContact CA-OE2 3.4Å; W23-E27 HydrophobicContact CE3-CB 3.73Å; W23-E27 HydrophobicContact CZ3-CB 4.09Å; W23-L31 HydrophobicContact CH2-CD2 3.77Å; W23-L31 HydrophobicContact CZ3-CB 4.32Å; W23-L31 HydrophobicContact CZ3-CD2 3.72Å; W23-R53 HydrophobicContact CH2-CB 4.05Å; W23-R53 HydrophobicContact CH2-CG 3.78Å; W23-R53 HydrophobicContact CZ2-CB 4.4Å; W23-R53 HydrophobicContact CZ2-CG 4.11Å; W23-R53 HydrophobicContact CZ3-CG 4.17Å; W23-S57 WeakPolarHBondContact CZ2-OG 3.38Å; W23-C58 HydrophobicContact CH2-CB 4.45Å; W23-R61 HydrophobicContact CD2-CB 4.08Å; W23-R61 HydrophobicContact CD2-CG 3.57Å; W23-R61 HydrophobicContact CE3-CG 3.9Å; W23-R61 HydrophobicContact CG-CG 3.95Å; W23-R61 HydrophobicContact CH2-CB 4.15Å; W23-R61 HydrophobicContact CH2-CG 4.36Å; W23-R61 HydrophobicContact CZ2-CB 3.61Å; W23-R61 HydrophobicContact CZ2-CG 4.04Å; W23-R61 HydrophobicContact CZ3-CG 4.28Å |
| 24 | S | 95 | Very high | 85.2 | Confident | 35 Ų | 35 | 82.2 Ų | 82.2 | 25% | 0.245 | 46% | 0.46 | C | S | . | . | P | Polyproline II helix | trans | -83.2 | 154.9 | 171.5 | 94.9 | 0 | 0 | 0 | 0 | 110.5 | E26 E27 D28 | S24-E26 WeakPolarHBondContact CB-OE2 3.48Å; S24-E26 PolarHBondContact O-N 2.97Å; S24-E26 PolarHBondContact OG-N 3.16Å; S24-E26 PolarHBondContact OG-OE2 2.67Å; S24-E27 PolarHBondContact N-OE2 3.05Å; S24-E27 WeakPolarHBondContact O-CB 3.38Å; S24-E27 PolarHBondContact O-N 2.63Å; S24-E27 VanDerWaalsContact O-N 3.16Å; S24-E27 WeakPolarHBondContact OG-CG 3.36Å; S24-E27 PolarHBondContact OG-N 3.3Å; S24-E27 VanDerWaalsContact OG-N 3.15Å; S24-D28 PolarHBondContact O-N 3.37Å |
| 25 | P | 95.7 | Very high | 87 | Confident | 92 Ų | 92 | 76.5 Ų | 76.5 | 60% | 0.597 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -61.7 | -29.8 | 176.4 | 24.6 | -32.4 | 0 | 0 | 0 | 112.4 | D28 A29 | P25-D28 PolarHBondContact O-N 3.15Å; P25-A29 WeakPolarHBondContact O-CB 3.43Å; P25-A29 PolarHBondContact O-N 3.43Å |
| 26 | E | 96.3 | Very high | 88.8 | Confident | 133 Ų | 133 | 79.3 Ų | 79.3 | 62% | 0.621 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -68.4 | -41.4 | 174.4 | -54.5 | 74.8 | -161.6 | 0 | 0 | 111.6 | S24 D28 A29 L30 | S24-E26 WeakPolarHBondContact CB-OE2 3.48Å; S24-E26 PolarHBondContact O-N 2.97Å; S24-E26 PolarHBondContact OG-N 3.16Å; S24-E26 PolarHBondContact OG-OE2 2.67Å; E26-D28 VanDerWaalsContact C-N 3.34Å; E26-A29 PolarHBondContact O-N 2.91Å; E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 3.07Å |
| 27 | E | 96.2 | Very high | 90.4 | Very high | 22 Ų | 22 | 80.8 Ų | 80.8 | 10% | 0.103 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -63.6 | -41.6 | 173.9 | -69.1 | 177.5 | 120 | 0 | 0 | 111.3 | W23 S24 L30 L31 R53 | W23-E27 WeakPolarHBondContact CA-OE2 3.4Å; W23-E27 HydrophobicContact CE3-CB 3.73Å; W23-E27 HydrophobicContact CZ3-CB 4.09Å; S24-E27 PolarHBondContact N-OE2 3.05Å; S24-E27 WeakPolarHBondContact O-CB 3.38Å; S24-E27 PolarHBondContact O-N 2.63Å; S24-E27 VanDerWaalsContact O-N 3.16Å; S24-E27 WeakPolarHBondContact OG-CG 3.36Å; S24-E27 PolarHBondContact OG-N 3.3Å; S24-E27 VanDerWaalsContact OG-N 3.15Å; E27-L30 PolarHBondContact O-N 2.87Å; E27-L31 WeakPolarHBondContact O-CB 3.22Å; E27-L31 PolarHBondContact O-N 3.45Å; E27-R53 IonicContact OE1-CZ 3.63Å; E27-R53 IonicContact OE1-NE 2.65Å; E27-R53 PolarHBondContact OE1-NE 2.9Å; E27-R53 IonicContact OE1-NH2 2.67Å; E27-R53 PolarHBondContact OE1-NH2 3.44Å; E27-R53 IonicContact OE2-CZ 2.94Å; E27-R53 IonicContact OE2-NE 3.76Å; E27-R53 IonicContact OE2-NH2 3.53Å; E27-R53 PolarHBondContact OE2-NH2 2.97Å |
| 28 | D | 97.3 | Very high | 91.7 | Very high | 23 Ų | 23 | 75 Ų | 75 | 12% | 0.123 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64 | -46 | 176.8 | -74.1 | -25.7 | 0 | 0 | 0 | 111.5 | S24 P25 E26 L30 L31 T32 R61 L66 | S24-D28 PolarHBondContact O-N 3.37Å; P25-D28 PolarHBondContact O-N 3.15Å; E26-D28 VanDerWaalsContact C-N 3.34Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.25Å; D28-L31 PolarHBondContact O-N 3.49Å; D28-T32 PolarHBondContact O-N 3.33Å; D28-T32 PolarHBondContact O-OG1 3.32Å; D28-T32 VanDerWaalsContact O-OG1 3.07Å; D28-R61 IonicContact OD1-CZ 3.59Å; D28-R61 IonicContact OD1-NE 3.2Å; D28-R61 PolarHBondContact OD1-NE 2.98Å; D28-R61 IonicContact OD1-NH2 2.73Å; D28-R61 PolarHBondContact OD1-NH2 3.15Å; D28-R61 IonicContact OD2-CZ 3.65Å; D28-R61 IonicContact OD2-NE 3.64Å; D28-R61 IonicContact OD2-NH2 3.57Å; D28-R61 PolarHBondContact OD2-NH2 3.46Å; D28-L66 HydrophobicContact CB-CD1 3.98Å; D28-L66 HydrophobicContact CB-CD2 3.84Å |
| 29 | A | 97.4 | Very high | 92.9 | Very high | 62 Ų | 62 | 70.5 Ų | 70.5 | 51% | 0.512 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.1 | -41.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | P25 E26 T32 R33 | P25-A29 WeakPolarHBondContact O-CB 3.43Å; P25-A29 PolarHBondContact O-N 3.43Å; E26-A29 PolarHBondContact O-N 2.91Å; A29-T32 PolarHBondContact O-N 3.45Å; A29-R33 PolarHBondContact O-N 3.28Å |
| 30 | L | 97.1 | Very high | 94.2 | Very high | 43 Ų | 43 | 68.7 Ų | 68.7 | 23% | 0.225 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.4 | 179.9 | 59.8 | 0 | 0 | 0 | 111.4 | E26 E27 D28 R33 L34 I50 | E26-L30 WeakPolarHBondContact O-CB 3.44Å; E26-L30 PolarHBondContact O-N 3.07Å; E27-L30 PolarHBondContact O-N 2.87Å; D28-L30 VanDerWaalsContact C-N 3.33Å; D28-L30 PolarHBondContact O-N 3.25Å; L30-R33 VanDerWaalsContact CD1-NH2 3.27Å; L30-R33 PolarHBondContact O-N 3.27Å; L30-L34 HydrophobicContact CD1-CD1 3.88Å; L30-L34 HydrophobicContact CD1-CG 4.23Å; L30-L34 HydrophobicContact CG-CD1 3.81Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 WeakPolarHBondContact O-CG 3.37Å; L30-L34 PolarHBondContact O-N 2.95Å; L30-I50 HydrophobicContact CD2-CG1 3.93Å; L30-I50 HydrophobicContact CG-CG1 4.16Å |
| 31 | L | 97.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.8 | -46.4 | 177.1 | 176.8 | 55.2 | 0 | 0 | 0 | 111.2 | W23 E27 D28 L34 V35 I46 I50 C58 R61 L66 | W23-L31 HydrophobicContact CH2-CD2 3.77Å; W23-L31 HydrophobicContact CZ3-CB 4.32Å; W23-L31 HydrophobicContact CZ3-CD2 3.72Å; E27-L31 WeakPolarHBondContact O-CB 3.22Å; E27-L31 PolarHBondContact O-N 3.45Å; D28-L31 PolarHBondContact O-N 3.49Å; L31-L34 PolarHBondContact O-N 3.3Å; L31-V35 HydrophobicContact CD1-CG2 3.96Å; L31-V35 HydrophobicContact CG-CG2 4.5Å; L31-V35 VanDerWaalsContact O-CG2 3.28Å; L31-V35 WeakPolarHBondContact O-CG2 3.19Å; L31-V35 PolarHBondContact O-N 3.5Å; L31-I46 HydrophobicContact CD1-CG2 3.49Å; L31-I46 VanDerWaalsContact CD1-CG2 3.49Å; L31-I50 HydrophobicContact CB-CD1 3.9Å; L31-I50 HydrophobicContact CD1-CD1 3.96Å; L31-I50 HydrophobicContact CG-CD1 4.48Å; L31-C58 HydrophobicContact CD1-CB 3.8Å; L31-C58 HydrophobicContact CD2-CB 4.34Å; L31-R61 HydrophobicContact CD2-CB 3.92Å; L31-R61 HydrophobicContact CD2-CG 3.92Å; L31-L66 HydrophobicContact CB-CD1 4.2Å; L31-L66 HydrophobicContact CD2-CD1 3.66Å; L31-L66 HydrophobicContact CG-CD1 4.01Å |
| 32 | T | 97.9 | Very high | 96.3 | Very high | 37 Ų | 37 | 68.6 Ų | 68.6 | 23% | 0.227 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -58.8 | -50.5 | 178.1 | -61.7 | 0 | 0 | 0 | 0 | 111.6 | D28 A29 L34 V35 E36 W62 | D28-T32 PolarHBondContact O-N 3.33Å; D28-T32 PolarHBondContact O-OG1 3.32Å; D28-T32 VanDerWaalsContact O-OG1 3.07Å; A29-T32 PolarHBondContact O-N 3.45Å; T32-L34 VanDerWaalsContact C-N 3.3Å; T32-L34 PolarHBondContact O-N 3.09Å; T32-V35 PolarHBondContact O-N 2.97Å; T32-V35 VanDerWaalsContact O-N 3.14Å; T32-E36 WeakPolarHBondContact O-CG 3.33Å; T32-E36 PolarHBondContact O-N 3.36Å; T32-W62 HydrophobicContact CG2-CH2 4.48Å; T32-W62 HydrophobicContact CG2-CZ3 4.11Å |
| 33 | R | 97.7 | Very high | 96.6 | Very high | 149 Ų | 149 | 64.7 Ų | 64.7 | 56% | 0.562 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -57.7 | -42.3 | 177.8 | -172.9 | -175 | 71.2 | -179.4 | 1.9 | 112.6 | A29 L30 E36 Q37 | A29-R33 PolarHBondContact O-N 3.28Å; L30-R33 VanDerWaalsContact CD1-NH2 3.27Å; L30-R33 PolarHBondContact O-N 3.27Å; R33-E36 PolarHBondContact O-N 2.82Å; R33-Q37 WeakPolarHBondContact O-CB 3.5Å; R33-Q37 PolarHBondContact O-N 2.92Å |
| 34 | L | 97.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 68 Ų | 68 | 6% | 0.058 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -69.4 | -34.8 | 179.9 | -70.3 | 164.1 | 0 | 0 | 0 | 112.3 | L30 L31 T32 Q37 H38 I46 P49 I50 | L30-L34 HydrophobicContact CD1-CD1 3.88Å; L30-L34 HydrophobicContact CD1-CG 4.23Å; L30-L34 HydrophobicContact CG-CD1 3.81Å; L30-L34 WeakPolarHBondContact O-CB 3.36Å; L30-L34 WeakPolarHBondContact O-CD1 3.16Å; L30-L34 WeakPolarHBondContact O-CG 3.37Å; L30-L34 PolarHBondContact O-N 2.95Å; L31-L34 PolarHBondContact O-N 3.3Å; T32-L34 VanDerWaalsContact C-N 3.3Å; T32-L34 PolarHBondContact O-N 3.09Å; L34-Q37 PolarHBondContact O-N 3.44Å; L34-H38 WeakPolarHBondContact O-CB 3.49Å; L34-H38 PolarHBondContact O-CD2 3.42Å; L34-H38 PolarHBondContact O-N 2.91Å; L34-I46 HydrophobicContact CB-CG2 3.98Å; L34-I46 WeakPolarHBondContact CD1-O 3.4Å; L34-P49 HydrophobicContact CD1-CB 4.42Å; L34-P49 HydrophobicContact CD1-CG 3.39Å; L34-P49 HydrophobicContact CD2-CG 3.83Å; L34-P49 HydrophobicContact CG-CG 4.27Å; L34-I50 HydrophobicContact CD1-CD1 3.99Å; L34-I50 HydrophobicContact CD1-CG1 3.85Å |
| 35 | V | 97.9 | Very high | 96.7 | Very high | 5 Ų | 5 | 70 Ų | 70 | 3% | 0.03 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -69.3 | -40.3 | 173.8 | 174.1 | 0 | 0 | 0 | 0 | 110.9 | L31 T32 Q37 G39 P40 W43 I46 W62 | L31-V35 HydrophobicContact CD1-CG2 3.96Å; L31-V35 HydrophobicContact CG-CG2 4.5Å; L31-V35 VanDerWaalsContact O-CG2 3.28Å; L31-V35 WeakPolarHBondContact O-CG2 3.19Å; L31-V35 PolarHBondContact O-N 3.5Å; T32-V35 PolarHBondContact O-N 2.97Å; T32-V35 VanDerWaalsContact O-N 3.14Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 2.73Å; V35-G39 WeakPolarHBondContact O-CA 3.34Å; V35-G39 PolarHBondContact O-N 2.97Å; V35-P40 HydrophobicContact CG1-CB 3.86Å; V35-P40 HydrophobicContact CG1-CG 4.49Å; V35-W43 HydrophobicContact CG2-CH2 4.18Å; V35-W43 HydrophobicContact CG2-CZ3 3.85Å; V35-I46 HydrophobicContact CG2-CD1 4.09Å; V35-I46 HydrophobicContact CG2-CG2 4.22Å; V35-W62 HydrophobicContact CB-CD2 4.31Å; V35-W62 HydrophobicContact CB-CE3 4.05Å; V35-W62 HydrophobicContact CB-CH2 4.05Å; V35-W62 HydrophobicContact CB-CZ2 4.3Å; V35-W62 HydrophobicContact CB-CZ3 3.95Å; V35-W62 HydrophobicContact CG1-CD2 3.94Å; V35-W62 HydrophobicContact CG1-CE3 4.12Å; V35-W62 HydrophobicContact CG1-CH2 3.69Å; V35-W62 HydrophobicContact CG1-CZ2 3.46Å; V35-W62 VanDerWaalsContact CG1-CZ2 3.46Å; V35-W62 HydrophobicContact CG1-CZ3 4.03Å; V35-W62 HydrophobicContact CG2-CD2 3.99Å; V35-W62 HydrophobicContact CG2-CE3 3.82Å; V35-W62 HydrophobicContact CG2-CG 4.48Å; V35-W62 HydrophobicContact CG2-CZ3 4.22Å |
| 36 | E | 97 | Very high | 96.8 | Very high | 148 Ų | 148 | 65.7 Ų | 65.7 | 69% | 0.692 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -60.9 | -40.5 | 173.6 | -71.8 | 170.4 | 173.9 | 0 | 0 | 111.7 | T32 R33 | T32-E36 WeakPolarHBondContact O-CG 3.33Å; T32-E36 PolarHBondContact O-N 3.36Å; R33-E36 PolarHBondContact O-N 2.82Å |
| 37 | Q | 97 | Very high | 96.8 | Very high | 131 Ų | 131 | 60.1 Ų | 60.1 | 61% | 0.612 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -72.8 | -39.2 | -179.8 | -175.1 | 179 | -5.8 | 0 | 0 | 113.6 | R33 L34 V35 | R33-Q37 WeakPolarHBondContact O-CB 3.5Å; R33-Q37 PolarHBondContact O-N 2.92Å; L34-Q37 PolarHBondContact O-N 3.44Å; V35-Q37 VanDerWaalsContact C-N 3.31Å; V35-Q37 PolarHBondContact O-N 2.73Å |
| 38 | H | 96.6 | Very high | 96.7 | Very high | 50 Ų | 50 | 63.1 Ų | 63.1 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -113.8 | -8.4 | -169.8 | -65.5 | -63.3 | 0 | 0 | 0 | 115.2 | L34 H41 L45 I46 | L34-H38 WeakPolarHBondContact O-CB 3.49Å; L34-H38 PolarHBondContact O-CD2 3.42Å; L34-H38 PolarHBondContact O-N 2.91Å; H38-H41 PolarHBondContact O-CE1 2.77Å; H38-H41 PolarHBondContact O-NE2 3.38Å; H38-L45 HydrophobicContact CB-CD2 4.44Å; H38-L45 WeakPolarHBondContact CD2-CD2 3.28Å; H38-L45 WeakPolarHBondContact NE2-CD2 3.45Å; H38-I46 HydrophobicContact CB-CG1 4.25Å |
| 39 | G | 96.5 | Very high | 96.6 | Very high | 17 Ų | 17 | 65.1 Ų | 65.1 | 18% | 0.175 | 35% | 0.351 | C | S | . | . | trans | 76.8 | 153.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.9 | V35 H41 I46 | V35-G39 WeakPolarHBondContact O-CA 3.34Å; V35-G39 PolarHBondContact O-N 2.97Å; G39-H41 PolarHBondContact O-N 3.2Å; G39-I46 WeakPolarHBondContact O-CD1 3.47Å | ||
| 40 | P | 95.4 | Very high | 96.4 | Very high | 73 Ų | 73 | 62.3 Ų | 62.3 | 47% | 0.474 | 33% | 0.327 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.4 | 42.1 | -174.7 | 33.3 | -37.8 | 0 | 0 | 0 | 114.2 | V35 W43 | V35-P40 HydrophobicContact CG1-CB 3.86Å; V35-P40 HydrophobicContact CG1-CG 4.49Å; P40-W43 VanDerWaalsContact C-CZ2 3.49Å; P40-W43 HydrophobicContact CB-CH2 3.91Å; P40-W43 HydrophobicContact CB-CZ2 3.81Å; P40-W43 WeakPolarHBondContact O-CZ2 3.38Å; P40-W43 PolarHBondContact O-NE1 2.99Å |
| 41 | H | 96 | Very high | 96.1 | Very high | 117 Ų | 117 | 64 Ų | 64 | 54% | 0.542 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128.8 | -27.8 | -178.1 | 53.4 | 52.5 | 0 | 0 | 0 | 113.8 | H38 G39 W43 | H38-H41 PolarHBondContact O-CE1 2.77Å; H38-H41 PolarHBondContact O-NE2 3.38Å; G39-H41 PolarHBondContact O-N 3.2Å; H41-W43 PolarHBondContact O-N 2.86Å |
| 42 | R | 95.5 | Very high | 95.7 | Very high | 147 Ų | 147 | 64.4 Ų | 64.4 | 56% | 0.555 | 35% | 0.345 | S | S | * | . | trans | -97.7 | 57.8 | -174.8 | -81.4 | 164.7 | -158.4 | -170.2 | 9.8 | 111.5 | S44 L45 I46 | R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 2.95Å; R42-L45 HydrophobicContact CB-CB 4.19Å; R42-L45 WeakPolarHBondContact O-CB 3.26Å; R42-L45 PolarHBondContact O-N 3.03Å; R42-I46 WeakPolarHBondContact O-CG1 3.38Å; R42-I46 PolarHBondContact O-N 2.77Å | ||
| 43 | W | 97 | Very high | 95.6 | Very high | 31 Ų | 31 | 63.6 Ų | 63.6 | 12% | 0.117 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -59.5 | -33.9 | -171.4 | -60.4 | 107 | 0 | 0 | 0 | 114.8 | V35 P40 H41 L45 I46 S47 C58 R59 W62 | V35-W43 HydrophobicContact CG2-CH2 4.18Å; V35-W43 HydrophobicContact CG2-CZ3 3.85Å; P40-W43 VanDerWaalsContact C-CZ2 3.49Å; P40-W43 HydrophobicContact CB-CH2 3.91Å; P40-W43 HydrophobicContact CB-CZ2 3.81Å; P40-W43 WeakPolarHBondContact O-CZ2 3.38Å; P40-W43 PolarHBondContact O-NE1 2.99Å; H41-W43 PolarHBondContact O-N 2.86Å; W43-L45 VanDerWaalsContact C-N 3.34Å; W43-I46 HydrophobicContact CE3-CD1 3.97Å; W43-I46 HydrophobicContact CE3-CG2 4.4Å; W43-I46 HydrophobicContact CZ3-CD1 4.15Å; W43-I46 PolarHBondContact O-N 3.48Å; W43-S47 WeakPolarHBondContact O-CB 3.47Å; W43-S47 PolarHBondContact O-N 3.24Å; W43-S47 PolarHBondContact O-OG 2.81Å; W43-C58 HydrophobicContact CE3-CB 4.23Å; W43-R59 HydrophobicContact CD2-CB 3.58Å; W43-R59 HydrophobicContact CD2-CG 4.04Å; W43-R59 HydrophobicContact CE3-CB 4Å; W43-R59 HydrophobicContact CG-CB 3.88Å; W43-R59 HydrophobicContact CG-CG 4.36Å; W43-R59 HydrophobicContact CZ2-CB 4.17Å; W43-R59 HydrophobicContact CZ2-CG 3.89Å; W43-R59 HydrophobicContact CZ3-CB 4.47Å; W43-W62 HydrophobicContact CH2-CB 3.62Å; W43-W62 AromaticContact CH2-CD1 3.65Å; W43-W62 AromaticContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CZ3-CB 3.96Å; W43-W62 HydrophobicContact CZ3-CG 4.29Å |
| 44 | S | 95.4 | Very high | 95.4 | Very high | 103 Ų | 103 | 59.2 Ų | 59.2 | 72% | 0.72 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -63.3 | -41.3 | 175.9 | -52.7 | 0 | 0 | 0 | 0 | 112 | R42 S47 A48 | R42-S44 VanDerWaalsContact C-N 3.29Å; R42-S44 PolarHBondContact O-N 2.95Å; S44-S47 PolarHBondContact O-OG 3.29Å; S44-S47 VanDerWaalsContact O-OG 3.11Å; S44-A48 PolarHBondContact O-N 2.88Å |
| 45 | L | 95.8 | Very high | 95.3 | Very high | 77 Ų | 77 | 59.4 Ų | 59.4 | 40% | 0.403 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -69.4 | -45.3 | 176.6 | -171.5 | 162.6 | 0 | 0 | 0 | 110.3 | H38 R42 W43 S47 A48 P49 | H38-L45 HydrophobicContact CB-CD2 4.44Å; H38-L45 WeakPolarHBondContact CD2-CD2 3.28Å; H38-L45 WeakPolarHBondContact NE2-CD2 3.45Å; R42-L45 HydrophobicContact CB-CB 4.19Å; R42-L45 WeakPolarHBondContact O-CB 3.26Å; R42-L45 PolarHBondContact O-N 3.03Å; W43-L45 VanDerWaalsContact C-N 3.34Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.41Å; L45-A48 PolarHBondContact O-N 2.95Å; L45-P49 VanDerWaalsContact O-CD 3.26Å; L45-P49 WeakPolarHBondContact O-CD 3.46Å |
| 46 | I | 96.9 | Very high | 95.2 | Very high | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.8 | -36.5 | 179.3 | -67.3 | 163.9 | 0 | 0 | 0 | 111.7 | L31 L34 V35 H38 G39 R42 W43 P49 | L31-I46 HydrophobicContact CD1-CG2 3.49Å; L31-I46 VanDerWaalsContact CD1-CG2 3.49Å; L34-I46 HydrophobicContact CB-CG2 3.98Å; L34-I46 WeakPolarHBondContact CD1-O 3.4Å; V35-I46 HydrophobicContact CG2-CD1 4.09Å; V35-I46 HydrophobicContact CG2-CG2 4.22Å; H38-I46 HydrophobicContact CB-CG1 4.25Å; G39-I46 WeakPolarHBondContact O-CD1 3.47Å; R42-I46 WeakPolarHBondContact O-CG1 3.38Å; R42-I46 PolarHBondContact O-N 2.77Å; W43-I46 HydrophobicContact CE3-CD1 3.97Å; W43-I46 HydrophobicContact CE3-CG2 4.4Å; W43-I46 HydrophobicContact CZ3-CD1 4.15Å; W43-I46 PolarHBondContact O-N 3.48Å; I46-P49 WeakPolarHBondContact O-CD 3.33Å |
| 47 | S | 95.9 | Very high | 95.1 | Very high | 17 Ų | 17 | 62.1 Ų | 62.1 | 12% | 0.119 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -79 | -23.4 | 179.9 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | W43 S44 L45 I50 G55 | W43-S47 WeakPolarHBondContact O-CB 3.47Å; W43-S47 PolarHBondContact O-N 3.24Å; W43-S47 PolarHBondContact O-OG 2.81Å; S44-S47 PolarHBondContact O-OG 3.29Å; S44-S47 VanDerWaalsContact O-OG 3.11Å; L45-S47 VanDerWaalsContact C-N 3.29Å; L45-S47 PolarHBondContact O-N 3.41Å; S47-I50 PolarHBondContact O-N 3.1Å; S47-G55 VanDerWaalsContact CB-N 3.32Å; S47-G55 WeakPolarHBondContact OG-CA 3.46Å; S47-G55 PolarHBondContact OG-N 2.91Å |
| 48 | A | 95.2 | Very high | 95.1 | Very high | 84 Ų | 84 | 55.9 Ų | 55.9 | 69% | 0.694 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.9 | -42.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | S44 L45 I50 | S44-A48 PolarHBondContact O-N 2.88Å; L45-A48 PolarHBondContact O-N 2.95Å; A48-I50 VanDerWaalsContact C-N 3.33Å; A48-I50 PolarHBondContact O-N 3.44Å |
| 49 | P | 94.3 | Very high | 95.2 | Very high | 65 Ų | 65 | 60.3 Ų | 60.3 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81.7 | -2 | 176.1 | 33.7 | -39.8 | 0 | 0 | 0 | 114.8 | L34 L45 I46 P51 | L34-P49 HydrophobicContact CD1-CB 4.42Å; L34-P49 HydrophobicContact CD1-CG 3.39Å; L34-P49 HydrophobicContact CD2-CG 3.83Å; L34-P49 HydrophobicContact CG-CG 4.27Å; L45-P49 VanDerWaalsContact O-CD 3.26Å; L45-P49 WeakPolarHBondContact O-CD 3.46Å; I46-P49 WeakPolarHBondContact O-CD 3.33Å; P49-P51 WeakPolarHBondContact O-CD 3.48Å |
| 50 | I | 93.8 | Very high | 95.2 | Very high | 3 Ų | 3 | 64.8 Ų | 64.8 | 2% | 0.015 | 35% | 0.353 | C | S | . | . | S | Bend | trans | -101.8 | 100.3 | -178 | -50.7 | -178.6 | 0 | 0 | 0 | 109.5 | L30 L31 L34 S47 A48 G52 R53 | L30-I50 HydrophobicContact CD2-CG1 3.93Å; L30-I50 HydrophobicContact CG-CG1 4.16Å; L31-I50 HydrophobicContact CB-CD1 3.9Å; L31-I50 HydrophobicContact CD1-CD1 3.96Å; L31-I50 HydrophobicContact CG-CD1 4.48Å; L34-I50 HydrophobicContact CD1-CD1 3.99Å; L34-I50 HydrophobicContact CD1-CG1 3.85Å; S47-I50 PolarHBondContact O-N 3.1Å; A48-I50 VanDerWaalsContact C-N 3.33Å; A48-I50 PolarHBondContact O-N 3.44Å; I50-G52 PolarHBondContact O-N 2.92Å; I50-R53 HydrophobicContact CB-CB 4.25Å; I50-R53 HydrophobicContact CG2-CB 3.74Å; I50-R53 HydrophobicContact CG2-CG 3.55Å; I50-R53 PolarHBondContact O-N 3.38Å |
| 51 | P | 90.6 | Very high | 95.3 | Very high | 80 Ų | 80 | 64.1 Ų | 64.1 | 52% | 0.519 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.3 | 126.3 | -170.6 | 26 | -34.6 | 0 | 0 | 0 | 112.1 | P49 R53 | P49-P51 WeakPolarHBondContact O-CD 3.48Å; P51-R53 VanDerWaalsContact C-N 3.31Å; P51-R53 PolarHBondContact O-N 3.12Å |
| 52 | G | 90.7 | Very high | 95.4 | Very high | 8 Ų | 8 | 59.6 Ų | 59.6 | 8% | 0.082 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 3.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115 | K19 I50 | K19-G52 PolarHBondContact N-O 3.45Å; I50-G52 PolarHBondContact O-N 2.92Å |
| 53 | R | 94 | Very high | 95.5 | Very high | 20 Ų | 20 | 55.1 Ų | 55.1 | 8% | 0.075 | 31% | 0.309 | C | S | . | . | trans | -108.8 | 131 | 174.9 | -58.1 | -61.4 | -179.1 | 173.2 | 3 | 110.6 | G21 S22 W23 E27 I50 P51 | G21-R53 PolarHBondContact O-NH1 2.77Å; G21-R53 PolarHBondContact O-NH2 3.15Å; S22-R53 PolarHBondContact O-NH2 3.37Å; W23-R53 HydrophobicContact CH2-CB 4.05Å; W23-R53 HydrophobicContact CH2-CG 3.78Å; W23-R53 HydrophobicContact CZ2-CB 4.4Å; W23-R53 HydrophobicContact CZ2-CG 4.11Å; W23-R53 HydrophobicContact CZ3-CG 4.17Å; E27-R53 IonicContact OE1-CZ 3.63Å; E27-R53 IonicContact OE1-NE 2.65Å; E27-R53 PolarHBondContact OE1-NE 2.9Å; E27-R53 IonicContact OE1-NH2 2.67Å; E27-R53 PolarHBondContact OE1-NH2 3.44Å; E27-R53 IonicContact OE2-CZ 2.94Å; E27-R53 IonicContact OE2-NE 3.76Å; E27-R53 IonicContact OE2-NH2 3.53Å; E27-R53 PolarHBondContact OE2-NH2 2.97Å; I50-R53 HydrophobicContact CB-CB 4.25Å; I50-R53 HydrophobicContact CG2-CB 3.74Å; I50-R53 HydrophobicContact CG2-CG 3.55Å; I50-R53 PolarHBondContact O-N 3.38Å; P51-R53 VanDerWaalsContact C-N 3.31Å; P51-R53 PolarHBondContact O-N 3.12Å | ||
| 54 | S | 94.7 | Very high | 95.5 | Very high | 56 Ų | 56 | 54.6 Ų | 54.6 | 39% | 0.392 | 31% | 0.309 | S | S | . | . | trans | -83.2 | 158.8 | 174 | 67.2 | 0 | 0 | 0 | 0 | 111.7 | K56 S57 C58 | S54-K56 PolarHBondContact O-N 3.42Å; S54-S57 WeakPolarHBondContact O-CA 3.48Å; S54-S57 VanDerWaalsContact O-CB 3.26Å; S54-S57 WeakPolarHBondContact O-CB 3.41Å; S54-S57 PolarHBondContact O-N 3.23Å; S54-S57 PolarHBondContact OG-N 2.93Å; S54-C58 PolarHBondContact O-N 3.28Å; S54-C58 PolarHBondContact O-SG 3.49Å | ||
| 55 | G | 96 | Very high | 95.5 | Very high | 15 Ų | 15 | 53.3 Ų | 53.3 | 16% | 0.155 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -54.2 | -36.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S47 C58 R59 | S47-G55 VanDerWaalsContact CB-N 3.32Å; S47-G55 WeakPolarHBondContact OG-CA 3.46Å; S47-G55 PolarHBondContact OG-N 2.91Å; G55-C58 PolarHBondContact O-N 2.8Å; G55-R59 WeakPolarHBondContact O-CB 3.35Å; G55-R59 PolarHBondContact O-N 2.87Å |
| 56 | K | 95.2 | Very high | 95.6 | Very high | 180 Ų | 180 | 51.5 Ų | 51.5 | 78% | 0.783 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -63.6 | -42.4 | 173 | -176.5 | 176.4 | -178.9 | 176.5 | 0 | 112.1 | S54 L60 | S54-K56 PolarHBondContact O-N 3.42Å; K56-L60 WeakPolarHBondContact O-CB 3.11Å; K56-L60 PolarHBondContact O-N 3.38Å |
| 57 | S | 95.5 | Very high | 95.6 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 22% | 0.217 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.7 | -46.5 | 176.6 | -164.1 | 0 | 0 | 0 | 0 | 110.8 | W23 S54 L60 R61 | W23-S57 WeakPolarHBondContact CZ2-OG 3.38Å; S54-S57 WeakPolarHBondContact O-CA 3.48Å; S54-S57 VanDerWaalsContact O-CB 3.26Å; S54-S57 WeakPolarHBondContact O-CB 3.41Å; S54-S57 PolarHBondContact O-N 3.23Å; S54-S57 PolarHBondContact OG-N 2.93Å; S57-L60 PolarHBondContact O-N 3.42Å; S57-R61 WeakPolarHBondContact O-CB 3.43Å; S57-R61 PolarHBondContact O-N 3.36Å |
| 58 | C | 97.1 | Very high | 95.6 | Very high | 0 Ų | 0 | 56.5 Ų | 56.5 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60.1 | -49.5 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 111.7 | W23 L31 W43 S54 G55 L60 R61 W62 | W23-C58 HydrophobicContact CH2-CB 4.45Å; L31-C58 HydrophobicContact CD1-CB 3.8Å; L31-C58 HydrophobicContact CD2-CB 4.34Å; W43-C58 HydrophobicContact CE3-CB 4.23Å; S54-C58 PolarHBondContact O-N 3.28Å; S54-C58 PolarHBondContact O-SG 3.49Å; G55-C58 PolarHBondContact O-N 2.8Å; C58-L60 VanDerWaalsContact C-N 3.33Å; C58-L60 PolarHBondContact O-N 2.88Å; C58-R61 PolarHBondContact O-N 3.31Å; C58-W62 WeakPolarHBondContact O-CB 2.98Å; C58-W62 PolarHBondContact O-N 2.94Å |
| 59 | R | 97.7 | Very high | 95.6 | Very high | 143 Ų | 143 | 57.9 Ų | 57.9 | 54% | 0.54 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -56.9 | -46.7 | 175.9 | -177.2 | 175.7 | -176.1 | -96.5 | -0.3 | 111.9 | W43 G55 R61 W62 C63 | W43-R59 HydrophobicContact CD2-CB 3.58Å; W43-R59 HydrophobicContact CD2-CG 4.04Å; W43-R59 HydrophobicContact CE3-CB 4Å; W43-R59 HydrophobicContact CG-CB 3.88Å; W43-R59 HydrophobicContact CG-CG 4.36Å; W43-R59 HydrophobicContact CZ2-CB 4.17Å; W43-R59 HydrophobicContact CZ2-CG 3.89Å; W43-R59 HydrophobicContact CZ3-CB 4.47Å; G55-R59 WeakPolarHBondContact O-CB 3.35Å; G55-R59 PolarHBondContact O-N 2.87Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 PolarHBondContact O-N 2.95Å; R59-W62 PolarHBondContact O-N 2.9Å; R59-C63 WeakPolarHBondContact O-CB 3.33Å; R59-C63 PolarHBondContact O-N 3.11Å; R59-C63 PolarHBondContact O-SG 3.04Å; R59-C63 VanDerWaalsContact O-SG 3.34Å |
| 60 | L | 96.6 | Very high | 95.7 | Very high | 111 Ų | 111 | 55.6 Ų | 55.6 | 58% | 0.581 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -63.7 | -40.5 | -178.9 | -173.4 | 72.6 | 0 | 0 | 0 | 111.5 | K56 S57 C58 N64 | K56-L60 WeakPolarHBondContact O-CB 3.11Å; K56-L60 PolarHBondContact O-N 3.38Å; S57-L60 PolarHBondContact O-N 3.42Å; C58-L60 VanDerWaalsContact C-N 3.33Å; C58-L60 PolarHBondContact O-N 2.88Å; L60-N64 WeakPolarHBondContact CD1-ND2 3.39Å; L60-N64 WeakPolarHBondContact O-CB 3.49Å; L60-N64 PolarHBondContact O-N 3.21Å; L60-N64 PolarHBondContact O-ND2 3.2Å |
| 61 | R | 97.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 59.4 Ų | 59.4 | 22% | 0.219 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -64.5 | -48.7 | 176.8 | -176.9 | 61.8 | 173 | 176.5 | 3.4 | 111 | W23 D28 L31 S57 C58 R59 Q65 L66 | W23-R61 HydrophobicContact CD2-CB 4.08Å; W23-R61 HydrophobicContact CD2-CG 3.57Å; W23-R61 HydrophobicContact CE3-CG 3.9Å; W23-R61 HydrophobicContact CG-CG 3.95Å; W23-R61 HydrophobicContact CH2-CB 4.15Å; W23-R61 HydrophobicContact CH2-CG 4.36Å; W23-R61 HydrophobicContact CZ2-CB 3.61Å; W23-R61 HydrophobicContact CZ2-CG 4.04Å; W23-R61 HydrophobicContact CZ3-CG 4.28Å; D28-R61 IonicContact OD1-CZ 3.59Å; D28-R61 IonicContact OD1-NE 3.2Å; D28-R61 PolarHBondContact OD1-NE 2.98Å; D28-R61 IonicContact OD1-NH2 2.73Å; D28-R61 PolarHBondContact OD1-NH2 3.15Å; D28-R61 IonicContact OD2-CZ 3.65Å; D28-R61 IonicContact OD2-NE 3.64Å; D28-R61 IonicContact OD2-NH2 3.57Å; D28-R61 PolarHBondContact OD2-NH2 3.46Å; L31-R61 HydrophobicContact CD2-CB 3.92Å; L31-R61 HydrophobicContact CD2-CG 3.92Å; S57-R61 WeakPolarHBondContact O-CB 3.43Å; S57-R61 PolarHBondContact O-N 3.36Å; C58-R61 PolarHBondContact O-N 3.31Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 PolarHBondContact O-N 2.95Å; R61-Q65 WeakPolarHBondContact O-CB 3.33Å; R61-Q65 PolarHBondContact O-N 3.3Å; R61-L66 HydrophobicContact CG-CD1 3.85Å; R61-L66 HydrophobicContact CG-CG 4.08Å; R61-L66 PolarHBondContact O-N 3.3Å |
| 62 | W | 98.1 | Very high | 96 | Very high | 22 Ų | 22 | 61.5 Ų | 61.5 | 8% | 0.083 | 32% | 0.315 | C | S | . | . | I | π-helix | trans | -57.3 | -59.2 | 178.2 | -177.9 | -96.5 | 0 | 0 | 0 | 112.1 | T32 V35 W43 C58 R59 N64 Q65 L66 S67 | T32-W62 HydrophobicContact CG2-CH2 4.48Å; T32-W62 HydrophobicContact CG2-CZ3 4.11Å; V35-W62 HydrophobicContact CB-CD2 4.31Å; V35-W62 HydrophobicContact CB-CE3 4.05Å; V35-W62 HydrophobicContact CB-CH2 4.05Å; V35-W62 HydrophobicContact CB-CZ2 4.3Å; V35-W62 HydrophobicContact CB-CZ3 3.95Å; V35-W62 HydrophobicContact CG1-CD2 3.94Å; V35-W62 HydrophobicContact CG1-CE3 4.12Å; V35-W62 HydrophobicContact CG1-CH2 3.69Å; V35-W62 HydrophobicContact CG1-CZ2 3.46Å; V35-W62 VanDerWaalsContact CG1-CZ2 3.46Å; V35-W62 HydrophobicContact CG1-CZ3 4.03Å; V35-W62 HydrophobicContact CG2-CD2 3.99Å; V35-W62 HydrophobicContact CG2-CE3 3.82Å; V35-W62 HydrophobicContact CG2-CG 4.48Å; V35-W62 HydrophobicContact CG2-CZ3 4.22Å; W43-W62 HydrophobicContact CH2-CB 3.62Å; W43-W62 AromaticContact CH2-CD1 3.65Å; W43-W62 AromaticContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CH2-CG 3.62Å; W43-W62 HydrophobicContact CZ3-CB 3.96Å; W43-W62 HydrophobicContact CZ3-CG 4.29Å; C58-W62 WeakPolarHBondContact O-CB 2.98Å; C58-W62 PolarHBondContact O-N 2.94Å; R59-W62 PolarHBondContact O-N 2.9Å; W62-N64 PolarHBondContact O-N 2.99Å; W62-N64 VanDerWaalsContact O-N 3.15Å; W62-Q65 PolarHBondContact O-N 3.32Å; W62-L66 HydrophobicContact CD2-CB 4.47Å; W62-L66 HydrophobicContact CE3-CB 3.69Å; W62-L66 HydrophobicContact CE3-CD1 4.47Å; W62-L66 HydrophobicContact CZ3-CB 4.03Å; W62-L66 PolarHBondContact O-N 2.93Å; W62-L66 VanDerWaalsContact O-N 3.15Å; W62-S67 PolarHBondContact NE1-OG 3.27Å; W62-S67 PolarHBondContact O-N 3.19Å |
| 63 | C | 96.8 | Very high | 96.2 | Very high | 53 Ų | 53 | 66.3 Ų | 66.3 | 36% | 0.358 | 33% | 0.331 | S | S | . | . | I | π-helix | trans | -66.2 | -20.4 | -173.3 | -63.9 | 0 | 0 | 0 | 0 | 114.3 | R59 T105 | R59-C63 WeakPolarHBondContact O-CB 3.33Å; R59-C63 PolarHBondContact O-N 3.11Å; R59-C63 PolarHBondContact O-SG 3.04Å; R59-C63 VanDerWaalsContact O-SG 3.34Å; C63-T105 WeakPolarHBondContact O-CG2 3.41Å |
| 64 | N | 97.1 | Very high | 96.3 | Very high | 21 Ų | 21 | 70.8 Ų | 70.8 | 11% | 0.112 | 36% | 0.362 | C | S | . | . | I | π-helix | trans | -105.4 | -19.3 | -178.2 | -70.9 | -60.3 | 0 | 0 | 0 | 114.7 | L60 W62 N107 | L60-N64 WeakPolarHBondContact CD1-ND2 3.39Å; L60-N64 WeakPolarHBondContact O-CB 3.49Å; L60-N64 PolarHBondContact O-N 3.21Å; L60-N64 PolarHBondContact O-ND2 3.2Å; W62-N64 PolarHBondContact O-N 2.99Å; W62-N64 VanDerWaalsContact O-N 3.15Å; N64-N107 WeakPolarHBondContact OD1-CB 3.29Å |
| 65 | Q | 96.6 | Very high | 96.4 | Very high | 76 Ų | 76 | 70.1 Ų | 70.1 | 36% | 0.355 | 35% | 0.353 | S | S | . | . | I | π-helix | trans | -142.3 | -33.3 | -168.6 | -60.1 | -67.2 | -3.5 | 0 | 0 | 115.7 | R61 W62 H72 | R61-Q65 WeakPolarHBondContact O-CB 3.33Å; R61-Q65 PolarHBondContact O-N 3.3Å; W62-Q65 PolarHBondContact O-N 3.32Å; Q65-H72 PolarHBondContact O-CE1 3.28Å; Q65-H72 PolarHBondContact O-NE2 2.84Å; Q65-H72 VanDerWaalsContact O-NE2 3.1Å; Q65-H72 PolarHBondContact OE1-CE1 2.94Å |
| 66 | L | 97.3 | Very high | 96.4 | Very high | 38 Ų | 38 | 71.9 Ų | 71.9 | 20% | 0.199 | 36% | 0.361 | C | S | . | . | I | π-helix | trans | -105.7 | -23.9 | -171.9 | -56.9 | 179.9 | 0 | 0 | 0 | 114.2 | D28 L31 R61 W62 | D28-L66 HydrophobicContact CB-CD1 3.98Å; D28-L66 HydrophobicContact CB-CD2 3.84Å; L31-L66 HydrophobicContact CB-CD1 4.2Å; L31-L66 HydrophobicContact CD2-CD1 3.66Å; L31-L66 HydrophobicContact CG-CD1 4.01Å; R61-L66 HydrophobicContact CG-CD1 3.85Å; R61-L66 HydrophobicContact CG-CG 4.08Å; R61-L66 PolarHBondContact O-N 3.3Å; W62-L66 HydrophobicContact CD2-CB 4.47Å; W62-L66 HydrophobicContact CE3-CB 3.69Å; W62-L66 HydrophobicContact CE3-CD1 4.47Å; W62-L66 HydrophobicContact CZ3-CB 4.03Å; W62-L66 PolarHBondContact O-N 2.93Å; W62-L66 VanDerWaalsContact O-N 3.15Å |
| 67 | S | 96.3 | Very high | 96.4 | Very high | 16 Ų | 16 | 68.7 Ų | 68.7 | 11% | 0.112 | 36% | 0.358 | C | S | . | . | S | Bend | trans | -58.7 | 134.2 | 178.7 | -156.8 | 0 | 0 | 0 | 0 | 109.3 | W62 D69 V70 | W62-S67 PolarHBondContact NE1-OG 3.27Å; W62-S67 PolarHBondContact O-N 3.19Å; S67-D69 PolarHBondContact O-N 3.38Å; S67-D69 VanDerWaalsContact O-N 3.09Å; S67-D69 PolarHBondContact OG-OD2 3.15Å; S67-V70 WeakPolarHBondContact O-CB 3.14Å; S67-V70 PolarHBondContact O-N 3.4Å |
| 68 | P | 96.2 | Very high | 96.4 | Very high | 107 Ų | 107 | 73.5 Ų | 73.5 | 70% | 0.695 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -23.6 | -180 | 24.2 | -34.5 | 0 | 0 | 0 | 112.7 | V70 | P68-V70 PolarHBondContact O-N 2.81Š|
| 69 | D | 95.4 | Very high | 96.4 | Very high | 112 Ų | 112 | 74 Ų | 74 | 60% | 0.599 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69 | -12.9 | 175.3 | -47.1 | -57.2 | 0 | 0 | 0 | 113.2 | S67 G103 | S67-D69 PolarHBondContact O-N 3.38Å; S67-D69 VanDerWaalsContact O-N 3.09Å; S67-D69 PolarHBondContact OG-OD2 3.15Å; D69-G103 WeakPolarHBondContact O-CA 3.35Å |
| 70 | V | 96.9 | Very high | 96.3 | Very high | 18 Ų | 18 | 69 Ų | 69 | 11% | 0.109 | 36% | 0.363 | C | S | . | . | trans | -88.8 | 117.2 | -177.2 | 178.9 | 0 | 0 | 0 | 0 | 110.4 | S67 P68 H72 T105 | S67-V70 WeakPolarHBondContact O-CB 3.14Å; S67-V70 PolarHBondContact O-N 3.4Å; P68-V70 PolarHBondContact O-N 2.81Å; V70-H72 PolarHBondContact O-CD2 3.13Å; V70-T105 HydrophobicContact CB-CG2 4.5Å; V70-T105 HydrophobicContact CG1-CG2 4.02Å; V70-T105 HydrophobicContact CG2-CG2 3.72Å | ||
| 71 | H | 96.3 | Very high | 96.1 | Very high | 82 Ų | 82 | 66.2 Ų | 66.2 | 38% | 0.38 | 36% | 0.356 | S | S | . | . | trans | -87.4 | 121.6 | 177.6 | -64 | 160.4 | 0 | 0 | 0 | 112.2 | R73 P102 G103 R104 | H71-R73 HydrophobicContact CB-CG 4.4Å; H71-P102 PolarHBondContact ND1-O 2.91Å; H71-G103 PolarHBondContact N-O 3.05Å; H71-R104 PolarHBondContact O-NH1 3.12Å | ||
| 72 | H | 94.4 | Very high | 96.1 | Very high | 125 Ų | 125 | 66.5 Ų | 66.5 | 58% | 0.579 | 36% | 0.362 | S | S | * | . | trans | -93.8 | -5.5 | 178.1 | -56.9 | -76.5 | 0 | 0 | 0 | 114.8 | Q65 V70 | Q65-H72 PolarHBondContact O-CE1 3.28Å; Q65-H72 PolarHBondContact O-NE2 2.84Å; Q65-H72 VanDerWaalsContact O-NE2 3.1Å; Q65-H72 PolarHBondContact OE1-CE1 2.94Å; V70-H72 PolarHBondContact O-CD2 3.13Å | ||
| 73 | R | 95 | Very high | 96 | Very high | 109 Ų | 109 | 65.5 Ų | 65.5 | 41% | 0.411 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -61.3 | 155.9 | 178.3 | 62.3 | 173.3 | 178.6 | 71.2 | 5.3 | 111.9 | H71 E79 R104 | H71-R73 HydrophobicContact CB-CG 4.4Å; R73-E79 IonicContact CZ-OE1 3.62Å; R73-E79 IonicContact CZ-OE2 3.59Å; R73-E79 IonicContact NH1-OE1 3.41Å; R73-E79 PolarHBondContact NH1-OE1 2.86Å; R73-E79 IonicContact NH1-OE2 3.5Å; R73-E79 PolarHBondContact NH1-OE2 3.03Å; R73-E79 IonicContact NH2-OE1 3.44Å; R73-E79 PolarHBondContact NH2-OE1 3.45Å; R73-E79 IonicContact NH2-OE2 2.81Å; R73-R104 PolarHBondContact O-NH1 2.97Å; R73-R104 PolarHBondContact O-NH2 3.22Å |
| 74 | P | 96 | Very high | 95.9 | Very high | 113 Ų | 113 | 66.2 Ų | 66.2 | 73% | 0.734 | 36% | 0.358 | S | S | * | . | P | Polyproline II helix | trans | -53.1 | 151.7 | 171.4 | -26 | 35.2 | 0 | 0 | 0 | 112.7 | R104 | P74-R104 PolarHBondContact O-NH2 2.84Š|
| 75 | F | 96.4 | Very high | 95.8 | Very high | 42 Ų | 42 | 68.3 Ų | 68.3 | 18% | 0.184 | 38% | 0.379 | C | S | . | . | P | Polyproline II helix | trans | -66.8 | 133.9 | 173.3 | -77.9 | -94.6 | 0 | 0 | 0 | 110 | E79 I83 R104 I109 H112 | F75-E79 WeakPolarHBondContact CA-OE2 3.41Å; F75-E79 HydrophobicContact CD1-CB 4.06Å; F75-I83 HydrophobicContact CD1-CD1 3.77Å; F75-I83 HydrophobicContact CE1-CD1 3.7Å; F75-R104 HydrophobicContact CE1-CG 4.04Å; F75-I109 HydrophobicContact CE1-CG1 4.3Å; F75-I109 HydrophobicContact CZ-CG1 4.44Å; F75-H112 AromaticContact CD1-CD2 3.79Å; F75-H112 HydrophobicContact CD2-CB 3.82Å; F75-H112 AromaticContact CD2-CD2 3.83Å; F75-H112 AromaticContact CD2-CE1 3.88Å; F75-H112 AromaticContact CD2-CG 3.45Å; F75-H112 VanDerWaalsContact CD2-CG 3.45Å; F75-H112 AromaticContact CD2-ND1 3.54Å; F75-H112 HydrophobicContact CE1-CB 4.38Å; F75-H112 HydrophobicContact CE2-CB 3.52Å; F75-H112 AromaticContact CE2-CG 3.72Å; F75-H112 HydrophobicContact CG-CB 4.38Å; F75-H112 AromaticContact CG-CD2 3.57Å; F75-H112 AromaticContact CG-CE1 3.84Å; F75-H112 AromaticContact CG-CG 3.72Å; F75-H112 AromaticContact CG-ND1 3.93Å; F75-H112 AromaticContact CG-NE2 3.65Å; F75-H112 HydrophobicContact CZ-CB 3.83Å |
| 76 | T | 96.2 | Very high | 95.8 | Very high | 53 Ų | 53 | 65 Ų | 65 | 33% | 0.325 | 36% | 0.364 | S | S | . | . | P | Polyproline II helix | trans | -81.8 | 156.7 | 175.1 | 64.7 | 0 | 0 | 0 | 0 | 110.4 | H78 E79 D80 | T76-H78 PolarHBondContact O-N 3.28Å; T76-H78 VanDerWaalsContact O-N 3.16Å; T76-E79 PolarHBondContact N-OE2 2.75Å; T76-E79 WeakPolarHBondContact O-CB 3.26Å; T76-E79 PolarHBondContact O-N 3.28Å; T76-E79 VanDerWaalsContact OG1-CG 3.28Å; T76-E79 WeakPolarHBondContact OG1-CG 3.48Å; T76-E79 PolarHBondContact OG1-N 2.89Å; T76-E79 PolarHBondContact OG1-OE2 2.91Å; T76-D80 PolarHBondContact O-N 3.18Å |
| 77 | P | 94.1 | Very high | 95.7 | Very high | 112 Ų | 112 | 64.4 Ų | 64.4 | 73% | 0.727 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -56.8 | -30.4 | 173.8 | -26 | 35.1 | 0 | 0 | 0 | 113.5 | D80 A81 | P77-D80 PolarHBondContact O-N 3.48Å; P77-A81 PolarHBondContact O-N 2.92Å |
| 78 | H | 95.7 | Very high | 95.6 | Very high | 132 Ų | 132 | 67.9 Ų | 67.9 | 61% | 0.611 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -67.5 | -46 | 174.2 | -178.4 | 76 | 0 | 0 | 0 | 111.9 | T76 D80 A81 L82 | T76-H78 PolarHBondContact O-N 3.28Å; T76-H78 VanDerWaalsContact O-N 3.16Å; H78-D80 VanDerWaalsContact C-N 3.28Å; H78-D80 PolarHBondContact O-N 3.19Å; H78-A81 PolarHBondContact O-N 2.94Å; H78-L82 PolarHBondContact O-N 2.65Å |
| 79 | E | 96.9 | Very high | 95.6 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 5% | 0.051 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -59.9 | -40.5 | 173.8 | -68 | 171.9 | 138.6 | 0 | 0 | 110.8 | R73 F75 T76 A81 L82 I83 L101 R104 | R73-E79 IonicContact CZ-OE1 3.62Å; R73-E79 IonicContact CZ-OE2 3.59Å; R73-E79 IonicContact NH1-OE1 3.41Å; R73-E79 PolarHBondContact NH1-OE1 2.86Å; R73-E79 IonicContact NH1-OE2 3.5Å; R73-E79 PolarHBondContact NH1-OE2 3.03Å; R73-E79 IonicContact NH2-OE1 3.44Å; R73-E79 PolarHBondContact NH2-OE1 3.45Å; R73-E79 IonicContact NH2-OE2 2.81Å; F75-E79 WeakPolarHBondContact CA-OE2 3.41Å; F75-E79 HydrophobicContact CD1-CB 4.06Å; T76-E79 PolarHBondContact N-OE2 2.75Å; T76-E79 WeakPolarHBondContact O-CB 3.26Å; T76-E79 PolarHBondContact O-N 3.28Å; T76-E79 VanDerWaalsContact OG1-CG 3.28Å; T76-E79 WeakPolarHBondContact OG1-CG 3.48Å; T76-E79 PolarHBondContact OG1-N 2.89Å; T76-E79 PolarHBondContact OG1-OE2 2.91Å; E79-A81 PolarHBondContact O-N 3.03Å; E79-L82 PolarHBondContact O-N 3.04Å; E79-I83 VanDerWaalsContact O-CG1 3.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.28Å; E79-I83 PolarHBondContact O-N 3.25Å; E79-L101 HydrophobicContact CB-CD2 4.11Å; E79-L101 HydrophobicContact CG-CD2 4.01Å; E79-R104 IonicContact OE1-CZ 3.46Å; E79-R104 IonicContact OE1-NE 3.8Å; E79-R104 PolarHBondContact OE1-NE 3.06Å; E79-R104 IonicContact OE1-NH2 2.77Å; E79-R104 PolarHBondContact OE1-NH2 3.33Å; E79-R104 IonicContact OE2-CZ 3.51Å; E79-R104 IonicContact OE2-NE 3.57Å; E79-R104 IonicContact OE2-NH2 3.79Å; E79-R104 PolarHBondContact OE2-NH2 2.83Å |
| 80 | D | 95.5 | Very high | 95.7 | Very high | 38 Ų | 38 | 70 Ų | 70 | 20% | 0.203 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -59.7 | -45.4 | 176.1 | -73.6 | 2.1 | 0 | 0 | 0 | 112.4 | T76 P77 H78 L82 I83 L84 H112 L117 | T76-D80 PolarHBondContact O-N 3.18Å; P77-D80 PolarHBondContact O-N 3.48Å; H78-D80 VanDerWaalsContact C-N 3.28Å; H78-D80 PolarHBondContact O-N 3.19Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 3.44Å; D80-I83 PolarHBondContact O-N 3.21Å; D80-L84 WeakPolarHBondContact O-CB 3.45Å; D80-L84 VanDerWaalsContact O-CG 3.3Å; D80-L84 WeakPolarHBondContact O-CG 3.48Å; D80-L84 PolarHBondContact O-N 3Å; D80-H112 IonicContact OD1-CD2 2.82Å; D80-H112 IonicContact OD1-CE1 3.31Å; D80-H112 IonicContact OD1-NE2 2.88Å; D80-H112 PolarHBondContact OD1-NE2 2.92Å; D80-H112 IonicContact OD2-NE2 2.8Å; D80-L117 HydrophobicContact CB-CD2 4.13Å |
| 81 | A | 94.2 | Very high | 95.6 | Very high | 53 Ų | 53 | 70.4 Ų | 70.4 | 44% | 0.438 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.2 | -43.3 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | P77 H78 E79 L84 A85 | P77-A81 PolarHBondContact O-N 2.92Å; H78-A81 PolarHBondContact O-N 2.94Å; E79-A81 PolarHBondContact O-N 3.03Å; A81-L84 PolarHBondContact O-N 3.36Å; A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.94Å |
| 82 | L | 96.3 | Very high | 95.6 | Very high | 64 Ų | 64 | 71.7 Ų | 71.7 | 34% | 0.335 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -44.1 | 175.3 | -72.7 | 175.4 | 0 | 0 | 0 | 112 | H78 E79 D80 L84 A85 A86 L101 | H78-L82 PolarHBondContact O-N 2.65Å; E79-L82 PolarHBondContact O-N 3.04Å; D80-L82 VanDerWaalsContact C-N 3.34Å; D80-L82 PolarHBondContact O-N 3.44Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.34Å; L82-A85 PolarHBondContact O-N 3.4Å; L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.95Å; L82-L101 HydrophobicContact CB-CD2 4Å; L82-L101 HydrophobicContact CD1-CD2 3.68Å |
| 83 | I | 96.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 71.8 Ų | 71.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -62 | -43.8 | 177.5 | -66.4 | 165.6 | 0 | 0 | 0 | 110.4 | F75 E79 D80 H87 I97 L101 I109 W113 L117 | F75-I83 HydrophobicContact CD1-CD1 3.77Å; F75-I83 HydrophobicContact CE1-CD1 3.7Å; E79-I83 VanDerWaalsContact O-CG1 3.24Å; E79-I83 WeakPolarHBondContact O-CG1 3.28Å; E79-I83 PolarHBondContact O-N 3.25Å; D80-I83 PolarHBondContact O-N 3.21Å; I83-H87 WeakPolarHBondContact O-CB 3.35Å; I83-H87 PolarHBondContact O-N 3.45Å; I83-I97 HydrophobicContact CG1-CG2 4.5Å; I83-L101 HydrophobicContact CD1-CD1 3.99Å; I83-L101 HydrophobicContact CG1-CD1 3.43Å; I83-L101 VanDerWaalsContact CG1-CD1 3.43Å; I83-I109 HydrophobicContact CD1-CG1 4.45Å; I83-I109 HydrophobicContact CD1-CG2 4.15Å; I83-I109 HydrophobicContact CG1-CG2 4.09Å; I83-I109 HydrophobicContact CG2-CG2 4.07Å; I83-W113 HydrophobicContact CG2-CE3 4.15Å; I83-L117 HydrophobicContact CB-CD1 3.95Å; I83-L117 HydrophobicContact CG2-CD1 3.49Å; I83-L117 VanDerWaalsContact CG2-CD1 3.49Å |
| 84 | L | 94.5 | Very high | 95.9 | Very high | 68 Ų | 68 | 68.3 Ų | 68.3 | 36% | 0.356 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -62.9 | -48.4 | 178.4 | -73.7 | 167.2 | 0 | 0 | 0 | 111.8 | D80 A81 L82 H87 A88 W113 L117 R121 | D80-L84 WeakPolarHBondContact O-CB 3.45Å; D80-L84 VanDerWaalsContact O-CG 3.3Å; D80-L84 WeakPolarHBondContact O-CG 3.48Å; D80-L84 PolarHBondContact O-N 3Å; A81-L84 PolarHBondContact O-N 3.36Å; L82-L84 VanDerWaalsContact C-N 3.34Å; L82-L84 PolarHBondContact O-N 3.34Å; L84-H87 PolarHBondContact O-N 3.14Å; L84-A88 PolarHBondContact O-N 3.24Å; L84-W113 HydrophobicContact CD2-CZ3 4.04Å; L84-L117 HydrophobicContact CD1-CD2 4.49Å; L84-L117 HydrophobicContact CD2-CB 4.5Å; L84-L117 HydrophobicContact CG-CD1 4.46Å; L84-L117 HydrophobicContact CG-CD2 4.44Å; L84-R121 HydrophobicContact CD2-CG 4.04Å |
| 85 | A | 95.3 | Very high | 96 | Very high | 66 Ų | 66 | 65.7 Ų | 65.7 | 55% | 0.545 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -64 | -45.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A81 L82 A88 R89 | A81-A85 WeakPolarHBondContact O-CB 3.36Å; A81-A85 PolarHBondContact O-N 2.94Å; L82-A85 PolarHBondContact O-N 3.4Å; A85-A88 PolarHBondContact O-N 2.99Å; A85-R89 PolarHBondContact O-N 2.96Å |
| 86 | A | 96.9 | Very high | 96.1 | Very high | 6 Ų | 6 | 65.7 Ų | 65.7 | 5% | 0.05 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -68 | -37.3 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L82 R89 Y90 I97 L100 | L82-A86 WeakPolarHBondContact O-CB 3.41Å; L82-A86 PolarHBondContact O-N 2.95Å; A86-R89 PolarHBondContact O-N 3.25Å; A86-Y90 HydrophobicContact CB-CD2 4.26Å; A86-Y90 WeakPolarHBondContact O-CB 3.49Å; A86-Y90 VanDerWaalsContact O-CD2 3.28Å; A86-Y90 WeakPolarHBondContact O-CD2 3.36Å; A86-Y90 PolarHBondContact O-N 3.48Å; A86-I97 HydrophobicContact CB-CB 4.48Å; A86-I97 HydrophobicContact CB-CD1 4.37Å; A86-I97 HydrophobicContact CB-CG1 3.95Å; A86-I97 HydrophobicContact CB-CG2 4Å; A86-L100 HydrophobicContact CB-CD1 3.85Å |
| 87 | H | 95.5 | Very high | 96.1 | Very high | 26 Ų | 26 | 63.1 Ų | 63.1 | 12% | 0.12 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.9 | -39.4 | 174.7 | -173.7 | -86.2 | 0 | 0 | 0 | 112 | I83 L84 R89 G91 N92 W94 I97 W113 | I83-H87 WeakPolarHBondContact O-CB 3.35Å; I83-H87 PolarHBondContact O-N 3.45Å; L84-H87 PolarHBondContact O-N 3.14Å; H87-R89 PolarHBondContact O-N 3.35Å; H87-G91 PolarHBondContact CD2-O 2.65Å; H87-G91 VanDerWaalsContact CD2-O 3.27Å; H87-G91 WeakPolarHBondContact O-CA 3.34Å; H87-G91 PolarHBondContact O-N 3.01Å; H87-N92 PolarHBondContact NE2-OD1 2.88Å; H87-W94 AromaticContact CD2-CH2 3.65Å; H87-W94 AromaticContact CD2-CZ3 3.95Å; H87-I97 HydrophobicContact CB-CD1 4.37Å; H87-W113 HydrophobicContact CB-CE3 4.35Å; H87-W113 HydrophobicContact CB-CH2 4.02Å; H87-W113 HydrophobicContact CB-CZ3 3.73Å; H87-W113 AromaticContact CD2-CH2 3.89Å; H87-W113 AromaticContact CD2-CZ2 3.9Å; H87-W113 AromaticContact CE1-CE2 3.99Å; H87-W113 AromaticContact CE1-CH2 3.48Å; H87-W113 VanDerWaalsContact CE1-CH2 3.48Å; H87-W113 WeakPolarHBondContact CE1-CH2 3.31Å; H87-W113 AromaticContact CE1-CZ2 3.27Å; H87-W113 WeakPolarHBondContact CE1-CZ2 3.15Å; H87-W113 AromaticContact CG-CH2 3.38Å; H87-W113 AromaticContact CG-CZ2 3.84Å; H87-W113 AromaticContact CG-CZ3 3.52Å; H87-W113 AromaticContact ND1-CH2 3.09Å; H87-W113 WeakPolarHBondContact ND1-CH2 3.36Å; H87-W113 AromaticContact ND1-CZ2 3.45Å; H87-W113 WeakPolarHBondContact ND1-CZ2 3.41Å; H87-W113 AromaticContact ND1-CZ3 3.75Å; H87-W113 AromaticContact NE2-CE2 3.78Å; H87-W113 AromaticContact NE2-CH2 3.92Å; H87-W113 AromaticContact NE2-CZ2 3.54Å |
| 88 | A | 94.1 | Very high | 96.3 | Very high | 89 Ų | 89 | 58.7 Ų | 58.7 | 74% | 0.736 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -60 | -35.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L84 A85 | L84-A88 PolarHBondContact O-N 3.24Å; A85-A88 PolarHBondContact O-N 2.99Å |
| 89 | R | 96.6 | Very high | 96.4 | Very high | 184 Ų | 184 | 61.9 Ų | 61.9 | 69% | 0.694 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -83.1 | -40.9 | -180 | -173 | 174.3 | -178.5 | 175.1 | 2.6 | 114.4 | A85 A86 H87 | A85-R89 PolarHBondContact O-N 2.96Å; A86-R89 PolarHBondContact O-N 3.25Å; H87-R89 PolarHBondContact O-N 3.35Å |
| 90 | Y | 96.6 | Very high | 96.3 | Very high | 79 Ų | 79 | 65.7 Ų | 65.7 | 31% | 0.31 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -113.9 | -10.9 | -168.7 | -59.1 | -62.4 | 0 | 0 | 0 | 114.1 | A86 K93 T96 L100 | A86-Y90 HydrophobicContact CB-CD2 4.26Å; A86-Y90 WeakPolarHBondContact O-CB 3.49Å; A86-Y90 VanDerWaalsContact O-CD2 3.28Å; A86-Y90 WeakPolarHBondContact O-CD2 3.36Å; A86-Y90 PolarHBondContact O-N 3.48Å; Y90-K93 VanDerWaalsContact O-CD 3.31Å; Y90-K93 WeakPolarHBondContact O-CD 3.45Å; Y90-K93 WeakPolarHBondContact O-CE 3.44Å; Y90-K93 VanDerWaalsContact O-CG 3.24Å; Y90-K93 WeakPolarHBondContact O-CG 3.39Å; Y90-T96 HydrophobicContact CD1-CG2 4.39Å; Y90-T96 HydrophobicContact CD2-CG2 4.25Å; Y90-T96 HydrophobicContact CE2-CG2 4.38Å; Y90-T96 HydrophobicContact CG-CG2 4.27Å; Y90-L100 HydrophobicContact CE2-CD1 4.49Å |
| 91 | G | 95.3 | Very high | 96.4 | Very high | 27 Ų | 27 | 64 Ų | 64 | 28% | 0.278 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 65 | -143.1 | -171.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | H87 K93 | H87-G91 PolarHBondContact CD2-O 2.65Å; H87-G91 VanDerWaalsContact CD2-O 3.27Å; H87-G91 WeakPolarHBondContact O-CA 3.34Å; H87-G91 PolarHBondContact O-N 3.01Å; G91-K93 PolarHBondContact O-N 3.11Å |
| 92 | N | 96.5 | Very high | 96.5 | Very high | 108 Ų | 108 | 66.7 Ų | 66.7 | 58% | 0.578 | 36% | 0.359 | S | S | * | . | S | Bend | trans | -77.6 | 31.3 | -176.9 | -63 | -26 | 0 | 0 | 0 | 113.9 | H87 W94 | H87-N92 PolarHBondContact NE2-OD1 2.88Å; N92-W94 HydrophobicContact CB-CZ2 3.87Å; N92-W94 PolarHBondContact O-N 3.49Å; N92-W94 PolarHBondContact O-NE1 3.43Å; N92-W94 VanDerWaalsContact OD1-CZ2 3.31Å; N92-W94 WeakPolarHBondContact OD1-CZ2 3.37Å |
| 93 | K | 97.6 | Very high | 96.5 | Very high | 128 Ų | 128 | 64.8 Ų | 64.8 | 56% | 0.557 | 36% | 0.355 | S | S | * | . | trans | -83.6 | 66.2 | 176.7 | -66.4 | 177.3 | -165 | -80.6 | 0 | 110.3 | Y90 G91 A95 T96 I97 | Y90-K93 VanDerWaalsContact O-CD 3.31Å; Y90-K93 WeakPolarHBondContact O-CD 3.45Å; Y90-K93 WeakPolarHBondContact O-CE 3.44Å; Y90-K93 VanDerWaalsContact O-CG 3.24Å; Y90-K93 WeakPolarHBondContact O-CG 3.39Å; G91-K93 PolarHBondContact O-N 3.11Å; K93-A95 VanDerWaalsContact C-N 3.31Å; K93-A95 PolarHBondContact O-N 2.97Å; K93-T96 WeakPolarHBondContact O-CA 3.24Å; K93-T96 VanDerWaalsContact O-CB 3.3Å; K93-T96 WeakPolarHBondContact O-CB 3.48Å; K93-T96 PolarHBondContact O-N 2.86Å; K93-I97 PolarHBondContact O-N 3.04Å; K93-I97 VanDerWaalsContact O-N 3.1Å | ||
| 94 | W | 98 | Very high | 96.5 | Very high | 36 Ų | 36 | 65.4 Ų | 65.4 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -55.7 | -40.5 | -171.1 | -52.8 | 118.3 | 0 | 0 | 0 | 114.2 | H87 N92 T96 I97 A98 D106 I109 K110 W113 | H87-W94 AromaticContact CD2-CH2 3.65Å; H87-W94 AromaticContact CD2-CZ3 3.95Å; N92-W94 HydrophobicContact CB-CZ2 3.87Å; N92-W94 PolarHBondContact O-N 3.49Å; N92-W94 PolarHBondContact O-NE1 3.43Å; N92-W94 VanDerWaalsContact OD1-CZ2 3.31Å; N92-W94 WeakPolarHBondContact OD1-CZ2 3.37Å; W94-T96 VanDerWaalsContact C-N 3.27Å; W94-T96 PolarHBondContact O-N 3.16Å; W94-I97 HydrophobicContact CE3-CD1 3.99Å; W94-I97 HydrophobicContact CZ3-CD1 4.09Å; W94-I97 PolarHBondContact O-N 3.47Å; W94-A98 WeakPolarHBondContact O-CB 3.45Å; W94-A98 PolarHBondContact O-N 2.95Å; W94-D106 HydrophobicContact CB-CB 3.88Å; W94-I109 HydrophobicContact CE3-CG2 3.8Å; W94-I109 HydrophobicContact CZ3-CG2 4.12Å; W94-K110 HydrophobicContact CD2-CB 3.85Å; W94-K110 HydrophobicContact CD2-CG 4.37Å; W94-K110 HydrophobicContact CE3-CB 4.44Å; W94-K110 HydrophobicContact CG-CB 3.92Å; W94-K110 HydrophobicContact CG-CG 4.45Å; W94-K110 HydrophobicContact CZ2-CG 4.42Å; W94-W113 HydrophobicContact CH2-CB 3.73Å; W94-W113 AromaticContact CH2-CD1 3.58Å; W94-W113 AromaticContact CH2-CD2 3.91Å; W94-W113 HydrophobicContact CH2-CD2 3.91Å; W94-W113 AromaticContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CH2-CG 3.45Å; W94-W113 VanDerWaalsContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CZ2-CG 4.32Å; W94-W113 HydrophobicContact CZ3-CB 4.01Å; W94-W113 HydrophobicContact CZ3-CD2 4.46Å; W94-W113 HydrophobicContact CZ3-CG 4.11Å |
| 95 | A | 97.5 | Very high | 96.7 | Very high | 57 Ų | 57 | 63.1 Ų | 63.1 | 47% | 0.471 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -62.6 | -34.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K93 R99 | K93-A95 VanDerWaalsContact C-N 3.31Å; K93-A95 PolarHBondContact O-N 2.97Å; A95-R99 WeakPolarHBondContact O-CG 3.4Å |
| 96 | T | 97.6 | Very high | 96.8 | Very high | 42 Ų | 42 | 63.3 Ų | 63.3 | 26% | 0.258 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -69.3 | -43.4 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 110.8 | Y90 K93 W94 A98 R99 | Y90-T96 HydrophobicContact CD1-CG2 4.39Å; Y90-T96 HydrophobicContact CD2-CG2 4.25Å; Y90-T96 HydrophobicContact CE2-CG2 4.38Å; Y90-T96 HydrophobicContact CG-CG2 4.27Å; K93-T96 WeakPolarHBondContact O-CA 3.24Å; K93-T96 VanDerWaalsContact O-CB 3.3Å; K93-T96 WeakPolarHBondContact O-CB 3.48Å; K93-T96 PolarHBondContact O-N 2.86Å; W94-T96 VanDerWaalsContact C-N 3.27Å; W94-T96 PolarHBondContact O-N 3.16Å; T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.41Å; T96-R99 PolarHBondContact O-N 3.26Å |
| 97 | I | 97.9 | Very high | 96.8 | Very high | 0 Ų | 0 | 65 Ų | 65 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -65.6 | -39 | 179 | -58.1 | 176.4 | 0 | 0 | 0 | 110.8 | I83 A86 H87 K93 W94 R99 L100 L101 I109 | I83-I97 HydrophobicContact CG1-CG2 4.5Å; A86-I97 HydrophobicContact CB-CB 4.48Å; A86-I97 HydrophobicContact CB-CD1 4.37Å; A86-I97 HydrophobicContact CB-CG1 3.95Å; A86-I97 HydrophobicContact CB-CG2 4Å; H87-I97 HydrophobicContact CB-CD1 4.37Å; K93-I97 PolarHBondContact O-N 3.04Å; K93-I97 VanDerWaalsContact O-N 3.1Å; W94-I97 HydrophobicContact CE3-CD1 3.99Å; W94-I97 HydrophobicContact CZ3-CD1 4.09Å; W94-I97 PolarHBondContact O-N 3.47Å; I97-R99 PolarHBondContact O-N 3.47Å; I97-L100 WeakPolarHBondContact O-CB 3.5Å; I97-L100 PolarHBondContact O-N 3.26Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; I97-I109 HydrophobicContact CG2-CD1 4.33Å; I97-I109 HydrophobicContact CG2-CG2 4.02Å |
| 98 | A | 97.7 | Very high | 96.9 | Very high | 19 Ų | 19 | 65 Ų | 65 | 16% | 0.157 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -58.9 | -31 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | W94 T96 L100 L101 D106 I109 | W94-A98 WeakPolarHBondContact O-CB 3.45Å; W94-A98 PolarHBondContact O-N 2.95Å; T96-A98 VanDerWaalsContact C-N 3.34Å; T96-A98 PolarHBondContact O-N 3.41Å; A98-L100 PolarHBondContact O-N 2.88Å; A98-L101 PolarHBondContact O-N 3.04Å; A98-L101 VanDerWaalsContact O-N 3.14Å; A98-D106 HydrophobicContact CB-CB 4.18Å; A98-I109 VanDerWaalsContact CA-CD1 3.4Å; A98-I109 HydrophobicContact CB-CD1 3.75Å |
| 99 | R | 97.2 | Very high | 97.1 | Very high | 199 Ų | 199 | 60.8 Ų | 60.8 | 75% | 0.751 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -20.9 | 175.6 | -65.2 | 172.3 | -170.7 | 158.7 | 0.6 | 113.3 | A95 T96 I97 | A95-R99 WeakPolarHBondContact O-CG 3.4Å; T96-R99 PolarHBondContact O-N 3.26Å; I97-R99 PolarHBondContact O-N 3.47Å |
| 100 | L | 96.3 | Very high | 97.1 | Very high | 90 Ų | 90 | 55.1 Ų | 55.1 | 47% | 0.471 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88 | -9.9 | 177.9 | -55.4 | 175.9 | 0 | 0 | 0 | 112.7 | A86 Y90 I97 A98 | A86-L100 HydrophobicContact CB-CD1 3.85Å; Y90-L100 HydrophobicContact CE2-CD1 4.49Å; I97-L100 WeakPolarHBondContact O-CB 3.5Å; I97-L100 PolarHBondContact O-N 3.26Å; A98-L100 PolarHBondContact O-N 2.88Å |
| 101 | L | 96.8 | Very high | 97.1 | Very high | 3 Ų | 3 | 54.9 Ų | 54.9 | 2% | 0.016 | 30% | 0.298 | C | S | . | . | S | Bend | trans | -126.6 | 88.8 | -170.8 | -67.8 | 167.5 | 0 | 0 | 0 | 109.4 | E79 L82 I83 I97 A98 G103 R104 I109 | E79-L101 HydrophobicContact CB-CD2 4.11Å; E79-L101 HydrophobicContact CG-CD2 4.01Å; L82-L101 HydrophobicContact CB-CD2 4Å; L82-L101 HydrophobicContact CD1-CD2 3.68Å; I83-L101 HydrophobicContact CD1-CD1 3.99Å; I83-L101 HydrophobicContact CG1-CD1 3.43Å; I83-L101 VanDerWaalsContact CG1-CD1 3.43Å; I97-L101 HydrophobicContact CG2-CD1 4.18Å; A98-L101 PolarHBondContact O-N 3.04Å; A98-L101 VanDerWaalsContact O-N 3.14Å; L101-G103 PolarHBondContact O-N 3.49Å; L101-R104 HydrophobicContact CB-CB 3.82Å; L101-R104 HydrophobicContact CB-CG 3.96Å; L101-R104 PolarHBondContact O-N 2.98Å; L101-I109 HydrophobicContact CB-CD1 4.43Å; L101-I109 HydrophobicContact CD1-CD1 3.74Å; L101-I109 HydrophobicContact CD1-CG1 4.02Å |
| 102 | P | 95.6 | Very high | 97.1 | Very high | 110 Ų | 110 | 54.5 Ų | 54.5 | 71% | 0.714 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.5 | 130.8 | -176.4 | 23.4 | -32.8 | 0 | 0 | 0 | 111.3 | H71 R104 | H71-P102 PolarHBondContact ND1-O 2.91Å; P102-R104 VanDerWaalsContact C-N 3.26Å; P102-R104 PolarHBondContact O-N 3.23Å |
| 103 | G | 96.1 | Very high | 97.1 | Very high | 24 Ų | 24 | 50.1 Ų | 50.1 | 25% | 0.247 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.5 | 6 | -176.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | D69 H71 L101 | D69-G103 WeakPolarHBondContact O-CA 3.35Å; H71-G103 PolarHBondContact N-O 3.05Å; L101-G103 PolarHBondContact O-N 3.49Å |
| 104 | R | 97.8 | Very high | 96.9 | Very high | 13 Ų | 13 | 47.8 Ų | 47.8 | 5% | 0.049 | 26% | 0.258 | C | S | . | . | trans | -98.7 | 128.6 | 168.7 | -59.4 | -55.6 | -170.8 | 169.7 | 11.9 | 110.4 | H71 R73 P74 F75 E79 L101 P102 I109 | H71-R104 PolarHBondContact O-NH1 3.12Å; R73-R104 PolarHBondContact O-NH1 2.97Å; R73-R104 PolarHBondContact O-NH2 3.22Å; P74-R104 PolarHBondContact O-NH2 2.84Å; F75-R104 HydrophobicContact CE1-CG 4.04Å; E79-R104 IonicContact OE1-CZ 3.46Å; E79-R104 IonicContact OE1-NE 3.8Å; E79-R104 PolarHBondContact OE1-NE 3.06Å; E79-R104 IonicContact OE1-NH2 2.77Å; E79-R104 PolarHBondContact OE1-NH2 3.33Å; E79-R104 IonicContact OE2-CZ 3.51Å; E79-R104 IonicContact OE2-NE 3.57Å; E79-R104 IonicContact OE2-NH2 3.79Å; E79-R104 PolarHBondContact OE2-NH2 2.83Å; L101-R104 HydrophobicContact CB-CB 3.82Å; L101-R104 HydrophobicContact CB-CG 3.96Å; L101-R104 PolarHBondContact O-N 2.98Å; P102-R104 VanDerWaalsContact C-N 3.26Å; P102-R104 PolarHBondContact O-N 3.23Å; R104-I109 HydrophobicContact CB-CD1 4.04Å; R104-I109 HydrophobicContact CB-CG1 4.09Å | ||
| 105 | T | 97.9 | Very high | 96.5 | Very high | 19 Ų | 19 | 48.7 Ų | 48.7 | 12% | 0.117 | 27% | 0.27 | C | S | . | . | trans | -82.6 | 153.7 | 175.6 | 64.1 | 0 | 0 | 0 | 0 | 110.7 | C63 V70 N107 S108 I109 | C63-T105 WeakPolarHBondContact O-CG2 3.41Å; V70-T105 HydrophobicContact CB-CG2 4.5Å; V70-T105 HydrophobicContact CG1-CG2 4.02Å; V70-T105 HydrophobicContact CG2-CG2 3.72Å; T105-N107 PolarHBondContact O-N 3.5Å; T105-S108 PolarHBondContact N-OG 2.76Å; T105-S108 WeakPolarHBondContact O-CB 3.28Å; T105-S108 PolarHBondContact O-N 2.89Å; T105-S108 PolarHBondContact O-OG 3.05Å; T105-S108 WeakPolarHBondContact OG1-CB 3.48Å; T105-S108 PolarHBondContact OG1-N 3.3Å; T105-S108 VanDerWaalsContact OG1-N 3.11Å; T105-S108 PolarHBondContact OG1-OG 3.45Å; T105-I109 WeakPolarHBondContact O-CG1 3.37Å; T105-I109 PolarHBondContact O-N 3.07Å | ||
| 106 | D | 97.6 | Very high | 96.1 | Very high | 70 Ų | 70 | 49.5 Ų | 49.5 | 37% | 0.374 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -55.4 | -36.9 | 173.8 | 67.7 | -56.6 | 0 | 0 | 0 | 111.5 | W94 A98 I109 K110 | W94-D106 HydrophobicContact CB-CB 3.88Å; A98-D106 HydrophobicContact CB-CB 4.18Å; D106-I109 PolarHBondContact O-N 3.04Å; D106-K110 VanDerWaalsContact O-CB 3.29Å; D106-K110 WeakPolarHBondContact O-CB 3.39Å; D106-K110 PolarHBondContact O-N 3.15Å |
| 107 | N | 97.5 | Very high | 95.2 | Very high | 43 Ų | 43 | 47.7 Ų | 47.7 | 23% | 0.23 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -65.1 | -43.2 | 174.6 | -170.4 | 63.8 | 0 | 0 | 0 | 112.3 | N64 T105 I109 K110 N111 | N64-N107 WeakPolarHBondContact OD1-CB 3.29Å; T105-N107 PolarHBondContact O-N 3.5Å; N107-I109 PolarHBondContact O-N 3.44Å; N107-K110 WeakPolarHBondContact OD1-CE 3.4Å; N107-K110 PolarHBondContact OD1-NZ 3.49Å; N107-N111 WeakPolarHBondContact O-CB 3.29Å; N107-N111 PolarHBondContact O-N 2.95Å; N107-N111 PolarHBondContact O-OD1 3.43Å |
| 108 | S | 97.3 | Very high | 94.1 | Very high | 25 Ų | 25 | 54.5 Ų | 54.5 | 18% | 0.175 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61 | -43.9 | 176.8 | 73.4 | 0 | 0 | 0 | 0 | 111.9 | T105 N111 H112 | T105-S108 PolarHBondContact N-OG 2.76Å; T105-S108 WeakPolarHBondContact O-CB 3.28Å; T105-S108 PolarHBondContact O-N 2.89Å; T105-S108 PolarHBondContact O-OG 3.05Å; T105-S108 WeakPolarHBondContact OG1-CB 3.48Å; T105-S108 PolarHBondContact OG1-N 3.3Å; T105-S108 VanDerWaalsContact OG1-N 3.11Å; T105-S108 PolarHBondContact OG1-OG 3.45Å; S108-N111 PolarHBondContact O-N 2.9Å; S108-H112 WeakPolarHBondContact O-CB 3.3Å; S108-H112 PolarHBondContact O-N 3.42Å |
| 109 | I | 97.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 60.6 Ų | 60.6 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -67.4 | -46.8 | -179.2 | -65.8 | 159 | 0 | 0 | 0 | 110.8 | F75 I83 W94 I97 A98 L101 R104 T105 D106 N107 N111 H112 W113 | F75-I109 HydrophobicContact CE1-CG1 4.3Å; F75-I109 HydrophobicContact CZ-CG1 4.44Å; I83-I109 HydrophobicContact CD1-CG1 4.45Å; I83-I109 HydrophobicContact CD1-CG2 4.15Å; I83-I109 HydrophobicContact CG1-CG2 4.09Å; I83-I109 HydrophobicContact CG2-CG2 4.07Å; W94-I109 HydrophobicContact CE3-CG2 3.8Å; W94-I109 HydrophobicContact CZ3-CG2 4.12Å; I97-I109 HydrophobicContact CG2-CD1 4.33Å; I97-I109 HydrophobicContact CG2-CG2 4.02Å; A98-I109 VanDerWaalsContact CA-CD1 3.4Å; A98-I109 HydrophobicContact CB-CD1 3.75Å; L101-I109 HydrophobicContact CB-CD1 4.43Å; L101-I109 HydrophobicContact CD1-CD1 3.74Å; L101-I109 HydrophobicContact CD1-CG1 4.02Å; R104-I109 HydrophobicContact CB-CD1 4.04Å; R104-I109 HydrophobicContact CB-CG1 4.09Å; T105-I109 WeakPolarHBondContact O-CG1 3.37Å; T105-I109 PolarHBondContact O-N 3.07Å; D106-I109 PolarHBondContact O-N 3.04Å; N107-I109 PolarHBondContact O-N 3.44Å; I109-N111 VanDerWaalsContact C-N 3.3Å; I109-N111 PolarHBondContact O-N 3.33Å; I109-H112 PolarHBondContact O-N 3.44Å; I109-W113 WeakPolarHBondContact O-CB 3.48Å; I109-W113 PolarHBondContact O-N 2.82Å |
| 110 | K | 96.9 | Very high | 91.3 | Very high | 65 Ų | 65 | 54.4 Ų | 54.4 | 28% | 0.283 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -57.1 | -44.3 | 175 | 176.3 | -167.3 | 71 | -163.3 | 0 | 111.4 | W94 D106 N107 W113 N114 | W94-K110 HydrophobicContact CD2-CB 3.85Å; W94-K110 HydrophobicContact CD2-CG 4.37Å; W94-K110 HydrophobicContact CE3-CB 4.44Å; W94-K110 HydrophobicContact CG-CB 3.92Å; W94-K110 HydrophobicContact CG-CG 4.45Å; W94-K110 HydrophobicContact CZ2-CG 4.42Å; D106-K110 VanDerWaalsContact O-CB 3.29Å; D106-K110 WeakPolarHBondContact O-CB 3.39Å; D106-K110 PolarHBondContact O-N 3.15Å; N107-K110 WeakPolarHBondContact OD1-CE 3.4Å; N107-K110 PolarHBondContact OD1-NZ 3.49Å; K110-W113 PolarHBondContact O-N 3.34Å; K110-N114 WeakPolarHBondContact O-CB 3.3Å; K110-N114 PolarHBondContact O-N 3.34Å; K110-N114 PolarHBondContact O-ND2 3.03Å |
| 111 | N | 96.5 | Very high | 89.9 | Confident | 75 Ų | 75 | 57 Ų | 57 | 40% | 0.401 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178.8 | -73 | -5.2 | 0 | 0 | 0 | 111.4 | N107 S108 I109 W113 N114 S115 | N107-N111 WeakPolarHBondContact O-CB 3.29Å; N107-N111 PolarHBondContact O-N 2.95Å; N107-N111 PolarHBondContact O-OD1 3.43Å; S108-N111 PolarHBondContact O-N 2.9Å; I109-N111 VanDerWaalsContact C-N 3.3Å; I109-N111 PolarHBondContact O-N 3.33Å; N111-W113 VanDerWaalsContact C-N 3.35Å; N111-N114 PolarHBondContact O-N 2.85Å; N111-S115 VanDerWaalsContact O-CB 3.28Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.04Å; N111-S115 PolarHBondContact O-OG 3.25Å |
| 112 | H | 95.6 | Very high | 88.6 | Confident | 18 Ų | 18 | 65 Ų | 65 | 8% | 0.083 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -62.3 | -42.7 | 176.7 | -173.2 | 54.7 | 0 | 0 | 0 | 112.2 | F75 D80 S108 I109 S115 N116 L117 | F75-H112 AromaticContact CD1-CD2 3.79Å; F75-H112 HydrophobicContact CD2-CB 3.82Å; F75-H112 AromaticContact CD2-CD2 3.83Å; F75-H112 AromaticContact CD2-CE1 3.88Å; F75-H112 AromaticContact CD2-CG 3.45Å; F75-H112 VanDerWaalsContact CD2-CG 3.45Å; F75-H112 AromaticContact CD2-ND1 3.54Å; F75-H112 HydrophobicContact CE1-CB 4.38Å; F75-H112 HydrophobicContact CE2-CB 3.52Å; F75-H112 AromaticContact CE2-CG 3.72Å; F75-H112 HydrophobicContact CG-CB 4.38Å; F75-H112 AromaticContact CG-CD2 3.57Å; F75-H112 AromaticContact CG-CE1 3.84Å; F75-H112 AromaticContact CG-CG 3.72Å; F75-H112 AromaticContact CG-ND1 3.93Å; F75-H112 AromaticContact CG-NE2 3.65Å; F75-H112 HydrophobicContact CZ-CB 3.83Å; D80-H112 IonicContact OD1-CD2 2.82Å; D80-H112 IonicContact OD1-CE1 3.31Å; D80-H112 IonicContact OD1-NE2 2.88Å; D80-H112 PolarHBondContact OD1-NE2 2.92Å; D80-H112 IonicContact OD2-NE2 2.8Å; S108-H112 WeakPolarHBondContact O-CB 3.3Å; S108-H112 PolarHBondContact O-N 3.42Å; I109-H112 PolarHBondContact O-N 3.44Å; H112-S115 PolarHBondContact O-N 3.46Å; H112-N116 PolarHBondContact CE1-ND2 3.49Å; H112-N116 PolarHBondContact ND1-ND2 3.31Å; H112-N116 WeakPolarHBondContact O-CB 3.46Å; H112-N116 PolarHBondContact O-N 3.39Å; H112-L117 PolarHBondContact O-N 3.48Å |
| 113 | W | 95.8 | Very high | 87.5 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 6% | 0.061 | 32% | 0.321 | C | S | . | . | I | π-helix | trans | -56.9 | -53 | 173.6 | 176.3 | -95.7 | 0 | 0 | 0 | 111.9 | I83 L84 H87 W94 I109 K110 N111 S115 L117 R118 | I83-W113 HydrophobicContact CG2-CE3 4.15Å; L84-W113 HydrophobicContact CD2-CZ3 4.04Å; H87-W113 HydrophobicContact CB-CE3 4.35Å; H87-W113 HydrophobicContact CB-CH2 4.02Å; H87-W113 HydrophobicContact CB-CZ3 3.73Å; H87-W113 AromaticContact CD2-CH2 3.89Å; H87-W113 AromaticContact CD2-CZ2 3.9Å; H87-W113 AromaticContact CE1-CE2 3.99Å; H87-W113 AromaticContact CE1-CH2 3.48Å; H87-W113 VanDerWaalsContact CE1-CH2 3.48Å; H87-W113 WeakPolarHBondContact CE1-CH2 3.31Å; H87-W113 AromaticContact CE1-CZ2 3.27Å; H87-W113 WeakPolarHBondContact CE1-CZ2 3.15Å; H87-W113 AromaticContact CG-CH2 3.38Å; H87-W113 AromaticContact CG-CZ2 3.84Å; H87-W113 AromaticContact CG-CZ3 3.52Å; H87-W113 AromaticContact ND1-CH2 3.09Å; H87-W113 WeakPolarHBondContact ND1-CH2 3.36Å; H87-W113 AromaticContact ND1-CZ2 3.45Å; H87-W113 WeakPolarHBondContact ND1-CZ2 3.41Å; H87-W113 AromaticContact ND1-CZ3 3.75Å; H87-W113 AromaticContact NE2-CE2 3.78Å; H87-W113 AromaticContact NE2-CH2 3.92Å; H87-W113 AromaticContact NE2-CZ2 3.54Å; W94-W113 HydrophobicContact CH2-CB 3.73Å; W94-W113 AromaticContact CH2-CD1 3.58Å; W94-W113 AromaticContact CH2-CD2 3.91Å; W94-W113 HydrophobicContact CH2-CD2 3.91Å; W94-W113 AromaticContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CH2-CG 3.45Å; W94-W113 VanDerWaalsContact CH2-CG 3.45Å; W94-W113 HydrophobicContact CZ2-CG 4.32Å; W94-W113 HydrophobicContact CZ3-CB 4.01Å; W94-W113 HydrophobicContact CZ3-CD2 4.46Å; W94-W113 HydrophobicContact CZ3-CG 4.11Å; I109-W113 WeakPolarHBondContact O-CB 3.48Å; I109-W113 PolarHBondContact O-N 2.82Å; K110-W113 PolarHBondContact O-N 3.34Å; N111-W113 VanDerWaalsContact C-N 3.35Å; W113-S115 VanDerWaalsContact C-N 3.33Å; W113-S115 PolarHBondContact O-N 2.83Å; W113-L117 HydrophobicContact CD2-CB 4.45Å; W113-L117 HydrophobicContact CE3-CB 3.9Å; W113-L117 HydrophobicContact CE3-CD1 3.93Å; W113-L117 HydrophobicContact CZ3-CB 4.34Å; W113-L117 HydrophobicContact CZ3-CD1 4.5Å; W113-L117 PolarHBondContact O-N 2.85Å; W113-R118 WeakPolarHBondContact O-CG 3.22Å; W113-R118 PolarHBondContact O-N 3.35Å |
| 114 | N | 94 | Very high | 86.4 | Confident | 79 Ų | 79 | 70.9 Ų | 70.9 | 42% | 0.422 | 33% | 0.333 | S | S | . | . | I | π-helix | trans | -66.1 | -34.4 | -176.7 | -75.3 | -31.6 | 0 | 0 | 0 | 113 | K110 N111 | K110-N114 WeakPolarHBondContact O-CB 3.3Å; K110-N114 PolarHBondContact O-N 3.34Å; K110-N114 PolarHBondContact O-ND2 3.03Å; N111-N114 PolarHBondContact O-N 2.85Å |
| 115 | S | 90.2 | Very high | 85.3 | Confident | 56 Ų | 56 | 73 Ų | 73 | 39% | 0.392 | 35% | 0.354 | S | S | . | . | I | π-helix | trans | -87.6 | -42.9 | -174.9 | -52.5 | 0 | 0 | 0 | 0 | 112.5 | N111 H112 W113 R119 | N111-S115 VanDerWaalsContact O-CB 3.28Å; N111-S115 WeakPolarHBondContact O-CB 3.45Å; N111-S115 PolarHBondContact O-N 3.04Å; N111-S115 PolarHBondContact O-OG 3.25Å; H112-S115 PolarHBondContact O-N 3.46Å; W113-S115 VanDerWaalsContact C-N 3.33Å; W113-S115 PolarHBondContact O-N 2.83Å; S115-R119 VanDerWaalsContact O-CZ 3.25Å; S115-R119 PolarHBondContact O-NE 3.1Å; S115-R119 PolarHBondContact O-NH2 3.38Å |
| 116 | N | 87.7 | Confident | 84.2 | Confident | 74 Ų | 74 | 75 Ų | 75 | 40% | 0.396 | 37% | 0.372 | S | S | . | . | I | π-helix | trans | -112 | -59.5 | -168.8 | -64.3 | -62.1 | 0 | 0 | 0 | 112.3 | H112 R118 R119 C120 | H112-N116 PolarHBondContact CE1-ND2 3.49Å; H112-N116 PolarHBondContact ND1-ND2 3.31Å; H112-N116 WeakPolarHBondContact O-CB 3.46Å; H112-N116 PolarHBondContact O-N 3.39Å; N116-R118 PolarHBondContact O-N 2.93Å; N116-R119 PolarHBondContact O-N 3.47Å; N116-C120 PolarHBondContact O-N 3.38Å; N116-C120 VanDerWaalsContact O-N 3.07Å; N116-C120 PolarHBondContact O-SG 3.04Å |
| 117 | L | 79.3 | Confident | 83.2 | Confident | 3 Ų | 3 | 74.1 Ų | 74.1 | 2% | 0.016 | 37% | 0.374 | C | S | . | . | I | π-helix | trans | -70 | -31.1 | -167 | -61.7 | 175.6 | 0 | 0 | 0 | 113.6 | D80 I83 L84 H112 W113 R119 C120 R121 | D80-L117 HydrophobicContact CB-CD2 4.13Å; I83-L117 HydrophobicContact CB-CD1 3.95Å; I83-L117 HydrophobicContact CG2-CD1 3.49Å; I83-L117 VanDerWaalsContact CG2-CD1 3.49Å; L84-L117 HydrophobicContact CD1-CD2 4.49Å; L84-L117 HydrophobicContact CD2-CB 4.5Å; L84-L117 HydrophobicContact CG-CD1 4.46Å; L84-L117 HydrophobicContact CG-CD2 4.44Å; H112-L117 PolarHBondContact O-N 3.48Å; W113-L117 HydrophobicContact CD2-CB 4.45Å; W113-L117 HydrophobicContact CE3-CB 3.9Å; W113-L117 HydrophobicContact CE3-CD1 3.93Å; W113-L117 HydrophobicContact CZ3-CB 4.34Å; W113-L117 HydrophobicContact CZ3-CD1 4.5Å; W113-L117 PolarHBondContact O-N 2.85Å; L117-R119 PolarHBondContact O-N 2.96Å; L117-C120 PolarHBondContact O-N 2.92Å; L117-R121 PolarHBondContact O-N 3.23Å |
| 118 | R | 74.7 | Confident | 82.2 | Confident | 143 Ų | 143 | 75.1 Ų | 75.1 | 54% | 0.54 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.2 | -29.2 | 172.6 | -73 | -177.3 | 79.6 | -165.1 | 3.8 | 113 | W113 N116 R122 | W113-R118 WeakPolarHBondContact O-CG 3.22Å; W113-R118 PolarHBondContact O-N 3.35Å; N116-R118 PolarHBondContact O-N 2.93Å; R118-R122 PolarHBondContact O-NE 3.44Å |
| 119 | R | 71.1 | Confident | 81.4 | Confident | 147 Ų | 147 | 79.2 Ų | 79.2 | 56% | 0.555 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -82.1 | -40.9 | 174.4 | -80.4 | -176.5 | -88.2 | 174.8 | -8.6 | 110.9 | S115 N116 L117 R121 R122 R123 | S115-R119 VanDerWaalsContact O-CZ 3.25Å; S115-R119 PolarHBondContact O-NE 3.1Å; S115-R119 PolarHBondContact O-NH2 3.38Å; N116-R119 PolarHBondContact O-N 3.47Å; L117-R119 PolarHBondContact O-N 2.96Å; R119-R121 PolarHBondContact O-N 2.84Å; R119-R122 PolarHBondContact O-N 3.19Å; R119-R123 WeakPolarHBondContact O-CG 3.36Å; R119-R123 PolarHBondContact O-N 3.43Å |
| 120 | C | 65.3 | Low | 80.5 | Confident | 69 Ų | 69 | 83.3 Ų | 83.3 | 47% | 0.466 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -62.3 | -41.2 | 177.5 | -62.6 | 0 | 0 | 0 | 0 | 112.4 | N116 L117 R122 R123 A124 | N116-C120 PolarHBondContact O-N 3.38Å; N116-C120 VanDerWaalsContact O-N 3.07Å; N116-C120 PolarHBondContact O-SG 3.04Å; L117-C120 PolarHBondContact O-N 2.92Å; C120-R122 VanDerWaalsContact C-N 3.34Å; C120-R122 PolarHBondContact O-N 3.01Å; C120-R123 PolarHBondContact O-N 3.31Å; C120-A124 VanDerWaalsContact O-CB 3.23Å; C120-A124 WeakPolarHBondContact O-CB 3.44Å; C120-A124 PolarHBondContact O-N 3.16Å |
| 121 | R | 66.9 | Low | 79.4 | Confident | 146 Ų | 146 | 84.8 Ų | 84.8 | 55% | 0.551 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -60.2 | -42.2 | 174 | -84.1 | -174.2 | 68.5 | -165.3 | 2.1 | 112.6 | L84 L117 R119 A125 | L84-R121 HydrophobicContact CD2-CG 4.04Å; L117-R121 PolarHBondContact O-N 3.23Å; R119-R121 PolarHBondContact O-N 2.84Å; R121-A125 VanDerWaalsContact O-CB 3.22Å; R121-A125 WeakPolarHBondContact O-CB 3.3Å; R121-A125 PolarHBondContact O-N 3.07Å |
| 122 | R | 69.3 | Low | 78.2 | Confident | 171 Ų | 171 | 90.7 Ų | 90.7 | 65% | 0.645 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -66.8 | -41.6 | 177.8 | -74.6 | -172.8 | -73.4 | 168.9 | -1.7 | 111.9 | R118 R119 C120 A126 | R118-R122 PolarHBondContact O-NE 3.44Å; R119-R122 PolarHBondContact O-N 3.19Å; C120-R122 VanDerWaalsContact C-N 3.34Å; C120-R122 PolarHBondContact O-N 3.01Å; R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 3.4Å |
| 123 | R | 72.3 | Confident | 76.8 | Confident | 195 Ų | 195 | 95 Ų | 95 | 74% | 0.736 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -68.6 | -43.1 | 177.7 | -67.9 | 178.1 | 88 | 162.6 | 7 | 111.9 | R119 C120 A126 A127 | R119-R123 WeakPolarHBondContact O-CG 3.36Å; R119-R123 PolarHBondContact O-N 3.43Å; C120-R123 PolarHBondContact O-N 3.31Å; R123-A126 PolarHBondContact O-N 2.92Å; R123-A127 VanDerWaalsContact O-CB 3.3Å; R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.43Å |
| 124 | A | 72.4 | Confident | 75.1 | Confident | 62 Ų | 62 | 103 Ų | 103 | 51% | 0.512 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.3 | -42.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | C120 A127 A128 | C120-A124 VanDerWaalsContact O-CB 3.23Å; C120-A124 WeakPolarHBondContact O-CB 3.44Å; C120-A124 PolarHBondContact O-N 3.16Å; A124-A127 PolarHBondContact O-N 2.84Å; A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 2.79Å |
| 125 | A | 74.5 | Confident | 73.5 | Confident | 57 Ų | 57 | 105.7 Ų | 105.7 | 47% | 0.471 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -62.8 | -45 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | R121 A128 V129 | R121-A125 VanDerWaalsContact O-CB 3.22Å; R121-A125 WeakPolarHBondContact O-CB 3.3Å; R121-A125 PolarHBondContact O-N 3.07Å; A125-A128 PolarHBondContact O-N 3.3Å; A125-V129 WeakPolarHBondContact O-CG2 3.38Å; A125-V129 PolarHBondContact O-N 3.22Å |
| 126 | A | 75.2 | Confident | 72 | Confident | 61 Ų | 61 | 111.4 Ų | 111.4 | 50% | 0.504 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.1 | -41.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | R122 R123 V129 A130 | R122-A126 WeakPolarHBondContact O-CB 3.23Å; R122-A126 PolarHBondContact O-N 3.4Å; R123-A126 PolarHBondContact O-N 2.92Å; A126-V129 PolarHBondContact O-N 2.92Å; A126-A130 WeakPolarHBondContact O-CB 3.13Å; A126-A130 PolarHBondContact O-N 2.82Å |
| 127 | A | 77 | Confident | 70.3 | Confident | 51 Ų | 51 | 115 Ų | 115 | 42% | 0.421 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -65.5 | -39.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R123 A124 V129 A130 S131 | R123-A127 VanDerWaalsContact O-CB 3.3Å; R123-A127 WeakPolarHBondContact O-CB 3.27Å; R123-A127 PolarHBondContact O-N 3.43Å; A124-A127 PolarHBondContact O-N 2.84Å; A127-V129 VanDerWaalsContact C-N 3.34Å; A127-A130 PolarHBondContact O-N 3.36Å; A127-S131 WeakPolarHBondContact O-CB 3.45Å; A127-S131 PolarHBondContact O-N 3.27Å; A127-S131 PolarHBondContact O-OG 3.27Å |
| 128 | A | 77.3 | Confident | 69.2 | Low | 64 Ų | 64 | 119.6 Ų | 119.6 | 53% | 0.529 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -64.9 | -37.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | A124 A125 R132 | A124-A128 WeakPolarHBondContact O-CB 3.48Å; A124-A128 PolarHBondContact O-N 2.79Å; A125-A128 PolarHBondContact O-N 3.3Å; A128-R132 PolarHBondContact O-N 2.92Å |
| 129 | V | 79.7 | Confident | 68.3 | Low | 112 Ų | 112 | 120.5 Ų | 120.5 | 68% | 0.679 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -67 | -41.9 | 174 | 173.9 | 0 | 0 | 0 | 0 | 111.1 | A125 A126 A127 R132 | A125-V129 WeakPolarHBondContact O-CG2 3.38Å; A125-V129 PolarHBondContact O-N 3.22Å; A126-V129 PolarHBondContact O-N 2.92Å; A127-V129 VanDerWaalsContact C-N 3.34Å; V129-R132 WeakPolarHBondContact O-CB 3.09Å; V129-R132 PolarHBondContact O-N 3.21Å |
| 130 | A | 78.3 | Confident | 67.4 | Low | 85 Ų | 85 | 120.7 Ų | 120.7 | 70% | 0.702 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.5 | -30.9 | 179 | 0 | 0 | 0 | 0 | 0 | 113.6 | A126 A127 R132 | A126-A130 WeakPolarHBondContact O-CB 3.13Å; A126-A130 PolarHBondContact O-N 2.82Å; A127-A130 PolarHBondContact O-N 3.36Å; A130-R132 VanDerWaalsContact C-N 3.27Å; A130-R132 PolarHBondContact O-N 3.46Å |
| 131 | S | 73.7 | Confident | 67 | Low | 96 Ų | 96 | 121.4 Ų | 121.4 | 67% | 0.671 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -2.9 | -180 | -49.7 | 0 | 0 | 0 | 0 | 113 | A127 P133 | A127-S131 WeakPolarHBondContact O-CB 3.45Å; A127-S131 PolarHBondContact O-N 3.27Å; A127-S131 PolarHBondContact O-OG 3.27Å; S131-P133 VanDerWaalsContact O-CD 3.31Å; S131-P133 WeakPolarHBondContact O-CD 3.31Å |
| 132 | R | 71.4 | Confident | 66.2 | Low | 200 Ų | 200 | 120.4 Ų | 120.4 | 76% | 0.755 | 69% | 0.691 | S | S | * | * | S | Bend | trans | -71.6 | 116.2 | 176.5 | -172.9 | 168.5 | 165.5 | -160.7 | -5.4 | 107.8 | A128 V129 A130 Q134 | A128-R132 PolarHBondContact O-N 2.92Å; V129-R132 WeakPolarHBondContact O-CB 3.09Å; V129-R132 PolarHBondContact O-N 3.21Å; A130-R132 VanDerWaalsContact C-N 3.27Å; A130-R132 PolarHBondContact O-N 3.46Å; R132-Q134 PolarHBondContact O-N 2.79Å; R132-Q134 VanDerWaalsContact O-N 3.12Å |
| 133 | P | 66.4 | Low | 64.8 | Low | 107 Ų | 107 | 117.5 Ų | 117.5 | 70% | 0.695 | 70% | 0.703 | S | S | * | * | trans | -58.3 | 122.7 | 179.2 | 21.1 | -29.4 | 0 | 0 | 0 | 108.7 | S131 V135 | S131-P133 VanDerWaalsContact O-CD 3.31Å; S131-P133 WeakPolarHBondContact O-CD 3.31Å; P133-V135 PolarHBondContact O-N 2.89Å | ||
| 134 | Q | 60.5 | Low | 63.7 | Low | 185 Ų | 185 | 112.7 Ų | 112.7 | 86% | 0.864 | 71% | 0.705 | S | S | * | * | trans | -62.4 | 103.2 | 166 | -71.2 | -112.6 | -77 | 0 | 0 | 105.9 | R132 Q136 | R132-Q134 PolarHBondContact O-N 2.79Å; R132-Q134 VanDerWaalsContact O-N 3.12Å; Q134-Q136 VanDerWaalsContact C-N 3.3Å; Q134-Q136 PolarHBondContact O-N 3.2Å | ||
| 135 | V | 60.6 | Low | 62.5 | Low | 135 Ų | 135 | 114 Ų | 114 | 82% | 0.818 | 72% | 0.716 | S | S | * | * | trans | -61 | 102.2 | 164.8 | -125.1 | 0 | 0 | 0 | 0 | 104.9 | P133 D137 | P133-V135 PolarHBondContact O-N 2.89Å; V135-D137 PolarHBondContact O-N 3.27Å | ||
| 136 | Q | 57.5 | Low | 61.3 | Low | 177 Ų | 177 | 116.4 Ų | 116.4 | 83% | 0.827 | 74% | 0.736 | S | S | * | * | trans | -69.7 | 105 | 163.8 | -75.7 | 176.2 | -62.5 | 0 | 0 | 105 | Q134 S138 | Q134-Q136 VanDerWaalsContact C-N 3.3Å; Q134-Q136 PolarHBondContact O-N 3.2Å; Q136-S138 PolarHBondContact O-N 3.01Å | ||
| 137 | D | 53.7 | Low | 60.2 | Low | 148 Ų | 148 | 117 Ų | 117 | 79% | 0.791 | 74% | 0.74 | S | S | * | * | trans | -62.1 | 94.3 | 159.9 | -84 | -40.8 | 0 | 0 | 0 | 106.4 | V135 D139 | V135-D137 PolarHBondContact O-N 3.27Å; D137-D139 PolarHBondContact O-N 3.36Å | ||
| 138 | S | 56.2 | Low | 59.2 | Low | 101 Ų | 101 | 123 Ų | 123 | 71% | 0.706 | 76% | 0.759 | S | S | * | * | trans | -78.4 | 96.2 | 163.4 | 43.5 | 0 | 0 | 0 | 0 | 107.1 | Q136 D140 | Q136-S138 PolarHBondContact O-N 3.01Å; S138-D140 PolarHBondContact O-N 3.46Å | ||
| 139 | D | 55.3 | Low | 58 | Low | 161 Ų | 161 | 126.9 Ų | 126.9 | 86% | 0.861 | 77% | 0.771 | S | S | * | * | trans | -61.8 | 84.6 | 161.8 | -77 | -59.1 | 0 | 0 | 0 | 109.1 | D137 | D137-D139 PolarHBondContact O-N 3.36Š| ||
| 140 | D | 52.3 | Low | 56.4 | Low | 152 Ų | 152 | 128.6 Ų | 128.6 | 81% | 0.813 | 78% | 0.777 | S | S | * | * | trans | -98.8 | 82.2 | 163.9 | -123.3 | -58.8 | 0 | 0 | 0 | 107.6 | S138 | S138-D140 PolarHBondContact O-N 3.46Š| ||
| 141 | A | 55.8 | Low | 55.2 | Low | 83 Ų | 83 | 132.7 Ų | 132.7 | 69% | 0.686 | 78% | 0.781 | S | S | * | * | trans | -76.8 | 126.4 | 168.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | A143 | A141-A143 PolarHBondContact O-N 2.8Š| ||
| 142 | P | 51.2 | Low | 54.2 | Low | 126 Ų | 126 | 133 Ų | 133 | 82% | 0.818 | 78% | 0.781 | S | S | * | * | trans | -76.5 | 113.2 | 179.9 | 29.2 | -31.1 | 0 | 0 | 0 | 110.3 | A144 | P142-A144 PolarHBondContact O-N 3.33Š| ||
| 143 | A | 40.1 | Very low | 53 | Low | 110 Ų | 110 | 127.9 Ų | 127.9 | 91% | 0.909 | 78% | 0.782 | S | S | * | * | trans | -76.6 | 100.5 | 167 | 0 | 0 | 0 | 0 | 0 | 110.3 | A141 | A141-A143 PolarHBondContact O-N 2.8Š| ||
| 144 | A | 48.3 | Very low | 52.1 | Low | 93 Ų | 93 | 126.9 Ų | 126.9 | 77% | 0.769 | 78% | 0.783 | S | S | * | * | trans | -150.7 | 143.9 | 159.1 | 0 | 0 | 0 | 0 | 0 | 107 | P142 | P142-A144 PolarHBondContact O-N 3.33Š| ||
| 145 | A | 48 | Very low | 51.7 | Low | 91 Ų | 91 | 124.1 Ų | 124.1 | 75% | 0.752 | 78% | 0.778 | S | S | * | * | cis | -178.8 | 141.8 | -15 | 0 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 146 | A | 48.3 | Very low | 51.1 | Low | 107 Ų | 107 | 124.3 Ų | 124.3 | 88% | 0.884 | 78% | 0.779 | S | S | * | * | trans | 69.8 | 144.3 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 147 | A | 51.6 | Low | 50.7 | Low | 72 Ų | 72 | 120.1 Ų | 120.1 | 60% | 0.595 | 78% | 0.775 | S | S | * | * | cis | -174.7 | 159.2 | -12.4 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 148 | H | 57.5 | Low | 50.6 | Low | 177 Ų | 177 | 118.3 Ų | 118.3 | 82% | 0.819 | 78% | 0.78 | S | S | * | * | trans | 80.7 | 108.3 | 163.7 | -57.3 | -67 | 0 | 0 | 0 | 118.3 | ||||
| 149 | D | 51.2 | Low | 49.9 | Very low | 146 Ų | 146 | 117.2 Ų | 117.2 | 78% | 0.781 | 79% | 0.785 | S | S | * | * | 85 | 105.5 | 83.7 | -140.3 | -109.9 | 0 | 0 | 0 | 109 | |||||
| 150 | D | 47.2 | Very low | 49.2 | Very low | 148 Ų | 148 | 112.8 Ų | 112.8 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | -173.1 | 148.3 | 87.8 | -157.3 | -80.4 | 0 | 0 | 0 | 109.1 | |||||
| 151 | Q | 52 | Low | 49 | Very low | 172 Ų | 172 | 114.4 Ų | 114.4 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | -128.6 | -174.9 | -166.8 | -136.3 | -145.3 | 39.2 | 0 | 0 | 110.8 | ||||
| 152 | P | 53.6 | Low | 48.2 | Very low | 101 Ų | 101 | 114.3 Ų | 114.3 | 66% | 0.656 | 79% | 0.792 | S | S | * | * | -130.4 | -175.8 | -102.5 | 43.1 | -24.7 | 0 | 0 | 0 | 114.8 | |||||
| 153 | A | 45.8 | Very low | 47.6 | Very low | 94 Ų | 94 | 112.4 Ų | 112.4 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -155.5 | 108 | 153.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 154 | A | 48.2 | Very low | 47.6 | Very low | 86 Ų | 86 | 110.9 Ų | 110.9 | 71% | 0.711 | 79% | 0.791 | S | S | * | * | 64.4 | 114.7 | 93.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 155 | V | 50.5 | Low | 47.3 | Very low | 127 Ų | 127 | 113.5 Ų | 113.5 | 77% | 0.77 | 79% | 0.792 | S | S | * | * | 168.4 | 136.8 | 97.7 | -78.1 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 156 | V | 49.6 | Very low | 47.1 | Very low | 139 Ų | 139 | 113.7 Ų | 113.7 | 84% | 0.842 | 79% | 0.788 | S | S | * | * | trans | 57.1 | 151.8 | 144.7 | -57.1 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 157 | A | 48.2 | Very low | 47.4 | Very low | 89 Ų | 89 | 113.8 Ų | 113.8 | 74% | 0.736 | 78% | 0.781 | S | S | * | * | cis | -179.7 | 155.9 | -25.3 | 0 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 158 | A | 52.6 | Low | 47 | Very low | 110 Ų | 110 | 116.4 Ų | 116.4 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | trans | 69.9 | 136.7 | 159.9 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 159 | G | 40.5 | Very low | 46.2 | Very low | 77 Ų | 77 | 111.9 Ų | 111.9 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | cis | 166.5 | 167.5 | 3.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 160 | G | 41.3 | Very low | 46 | Very low | 69 Ų | 69 | 113 Ų | 113 | 71% | 0.711 | 80% | 0.802 | S | S | * | * | trans | 80.6 | 105.5 | 161.4 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 161 | L | 47.6 | Very low | 46.7 | Very low | 185 Ų | 185 | 111.1 Ų | 111.1 | 97% | 0.969 | 80% | 0.798 | S | S | * | * | 76.2 | 126.3 | 66.3 | -66.3 | 171.3 | 0 | 0 | 0 | 115.6 | |||||
| 162 | G | 40 | Very low | 46.6 | Very low | 82 Ų | 82 | 108.9 Ų | 108.9 | 85% | 0.845 | 80% | 0.798 | S | S | * | * | trans | 105.2 | 120.7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 163 | G | 38.3 | Very low | 45.7 | Very low | 85 Ų | 85 | 108.9 Ų | 108.9 | 88% | 0.876 | 81% | 0.807 | S | S | * | * | cis | 113.4 | 112.9 | 21.2 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 164 | G | 39.3 | Very low | 45.7 | Very low | 79 Ų | 79 | 109 Ų | 109 | 81% | 0.814 | 81% | 0.808 | S | S | * | * | trans | 101.9 | 106.2 | 146.5 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 165 | N | 42.2 | Very low | 45.3 | Very low | 148 Ų | 148 | 110.1 Ų | 110.1 | 79% | 0.791 | 82% | 0.817 | S | S | * | * | 84.6 | 115.1 | 123.2 | -150.4 | 55.8 | 0 | 0 | 0 | 122.1 | |||||
| 166 | S | 44 | Very low | 44.7 | Very low | 95 Ų | 95 | 107.7 Ų | 107.7 | 66% | 0.664 | 82% | 0.818 | S | S | * | * | trans | 29.7 | 119.4 | 130.8 | -43.6 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 167 | S | 53.9 | Low | 44.3 | Very low | 108 Ų | 108 | 105.9 Ų | 105.9 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | 178.9 | 126.1 | 123.8 | 53.3 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 168 | S | 42.8 | Very low | 43.7 | Very low | 127 Ų | 127 | 106.4 Ų | 106.4 | 89% | 0.888 | 82% | 0.822 | S | S | * | * | 54.4 | 113.4 | 129.9 | -41.3 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 169 | G | 40.9 | Very low | 43.1 | Very low | 83 Ų | 83 | 108 Ų | 108 | 86% | 0.856 | 82% | 0.82 | S | S | * | * | trans | -174.8 | 86.7 | 163 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 170 | L | 48.6 | Very low | 43.3 | Very low | 168 Ų | 168 | 109.1 Ų | 109.1 | 88% | 0.88 | 82% | 0.822 | S | S | * | * | trans | -83 | 173.5 | 157.9 | -81.3 | 159.7 | 0 | 0 | 0 | 109.1 | ||||
| 171 | P | 61.4 | Low | 43.1 | Very low | 109 Ų | 109 | 114 Ų | 114 | 71% | 0.708 | 83% | 0.827 | S | S | * | * | -118.7 | -157.8 | -73.9 | 40.2 | -19.6 | 0 | 0 | 0 | 108.3 | |||||
| 172 | P | 49.2 | Very low | 42.9 | Very low | 125 Ų | 125 | 109.9 Ų | 109.9 | 81% | 0.812 | 82% | 0.819 | S | S | * | * | -152.8 | -175.5 | 63.4 | 37.1 | -11.9 | 0 | 0 | 0 | 116 | |||||
| 173 | A | 35.3 | Very low | 43.5 | Very low | 102 Ų | 102 | 113.6 Ų | 113.6 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -54.8 | 147 | -176.7 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 174 | A | 44.5 | Very low | 44.1 | Very low | 96 Ų | 96 | 113.5 Ų | 113.5 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | trans | -167 | 122.4 | 139.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 175 | A | 41.5 | Very low | 44.6 | Very low | 110 Ų | 110 | 115.3 Ų | 115.3 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 39.1 | 127.6 | 138.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 176 | G | 37.5 | Very low | 44.6 | Very low | 76 Ų | 76 | 113 Ų | 113 | 78% | 0.784 | 79% | 0.786 | S | S | * | * | trans | 146 | 115.7 | 136.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 177 | A | 41 | Very low | 44.9 | Very low | 100 Ų | 100 | 112.9 Ų | 112.9 | 83% | 0.826 | 79% | 0.785 | S | S | * | * | trans | 81.2 | 98.4 | 145.8 | 0 | 0 | 0 | 0 | 0 | 120 | ||||
| 178 | A | 34.2 | Very low | 44.4 | Very low | 100 Ų | 100 | 114.4 Ų | 114.4 | 83% | 0.826 | 78% | 0.784 | S | S | * | * | trans | -21.5 | 131.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 179 | T | 41.4 | Very low | 44.4 | Very low | 143 Ų | 143 | 113.6 Ų | 113.6 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -145.3 | 137.8 | 145.1 | 22 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 180 | A | 44.6 | Very low | 44.6 | Very low | 102 Ų | 102 | 115.7 Ų | 115.7 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | -72.5 | 142.3 | -161.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 181 | E | 36.3 | Very low | 44.2 | Very low | 172 Ų | 172 | 111.2 Ų | 111.2 | 80% | 0.804 | 76% | 0.764 | S | S | * | * | trans | -56.3 | 133.4 | 170.7 | -55 | -89.2 | 114 | 0 | 0 | 111.9 | ||||
| 182 | A | 43.2 | Very low | 43.8 | Very low | 97 Ų | 97 | 113.4 Ų | 113.4 | 80% | 0.802 | 77% | 0.768 | S | S | * | * | trans | -135.8 | 82 | 165.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 183 | E | 52.8 | Low | 43.9 | Very low | 161 Ų | 161 | 113.3 Ų | 113.3 | 75% | 0.752 | 77% | 0.768 | S | S | * | * | trans | -75.1 | 123.8 | 172 | -72.9 | -84 | 106.4 | 0 | 0 | 109.9 | S185 | E183-S185 PolarHBondContact O-N 3.26Å; E183-S185 VanDerWaalsContact O-N 3.14Å | ||
| 184 | P | 51.8 | Low | 44.6 | Very low | 83 Ų | 83 | 116.2 Ų | 116.2 | 54% | 0.539 | 77% | 0.768 | S | S | . | * | trans | -78.5 | 102.3 | 173.3 | 30.5 | -30 | 0 | 0 | 0 | 109.6 | L186 | P184-L186 PolarHBondContact O-N 2.83Š| ||
| 185 | S | 49.4 | Very low | 45.4 | Very low | 117 Ų | 117 | 117.2 Ų | 117.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | -64.8 | 110.6 | 170.2 | -66.2 | 0 | 0 | 0 | 0 | 110.4 | E183 | E183-S185 PolarHBondContact O-N 3.26Å; E183-S185 VanDerWaalsContact O-N 3.14Å | ||
| 186 | L | 41.8 | Very low | 45.8 | Very low | 99 Ų | 99 | 116.7 Ų | 116.7 | 52% | 0.518 | 76% | 0.762 | S | S | . | * | trans | -102 | 96.3 | 167.9 | -58.1 | 174 | 0 | 0 | 0 | 109.2 | P184 | P184-L186 PolarHBondContact O-N 2.83Š| ||
| 187 | S | 50.7 | Low | 46.4 | Very low | 92 Ų | 92 | 117.5 Ų | 117.5 | 64% | 0.643 | 76% | 0.762 | S | S | * | * | trans | -102.7 | 106.2 | 168.1 | -176.2 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 188 | L | 43.1 | Very low | 47.1 | Very low | 140 Ų | 140 | 122 Ų | 122 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -99.9 | 103.3 | 166.4 | -79.3 | 169.9 | 0 | 0 | 0 | 108.6 | ||||
| 189 | S | 42.8 | Very low | 47.8 | Very low | 110 Ų | 110 | 123.3 Ų | 123.3 | 77% | 0.769 | 77% | 0.766 | S | S | * | * | trans | -96.7 | 110.1 | 165.5 | -67.1 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 190 | L | 45.7 | Very low | 48.4 | Very low | 127 Ų | 127 | 121 Ų | 121 | 67% | 0.665 | 76% | 0.761 | S | S | * | * | trans | -102.9 | 99.6 | 166.1 | -86.2 | 161.1 | 0 | 0 | 0 | 107.7 | M235 | L190-M235 HydrophobicContact CD1-CE 3.68Š| ||
| 191 | G | 40.5 | Very low | 48.7 | Very low | 75 Ų | 75 | 125.1 Ų | 125.1 | 77% | 0.773 | 76% | 0.763 | S | S | * | * | trans | -85.3 | 120.5 | 162 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 192 | L | 53.5 | Low | 49.3 | Very low | 154 Ų | 154 | 121.2 Ų | 121.2 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | -104.9 | 136.4 | 166.1 | -113.3 | 75.3 | 0 | 0 | 0 | 109 | ||||
| 193 | P | 50.1 | Low | 49.6 | Very low | 123 Ų | 123 | 121.5 Ų | 121.5 | 80% | 0.799 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 134.1 | -172.9 | -1.4 | 20.5 | 0 | 0 | 0 | 111.3 | ||
| 194 | L | 50.1 | Low | 49.6 | Very low | 163 Ų | 163 | 117.6 Ų | 117.6 | 85% | 0.853 | 76% | 0.758 | S | S | * | * | P | Polyproline II helix | trans | -82.9 | 128.5 | 168.6 | -174.5 | 71.5 | 0 | 0 | 0 | 109 | ||
| 195 | P | 61.8 | Low | 49.7 | Very low | 117 Ų | 117 | 121 Ų | 121 | 76% | 0.76 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 136.8 | 175.7 | 27.8 | -32.2 | 0 | 0 | 0 | 111.6 | ||
| 196 | A | 50.4 | Low | 49.7 | Very low | 99 Ų | 99 | 121.9 Ų | 121.9 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -83.5 | 133.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||
| 197 | A | 48.5 | Very low | 49.9 | Very low | 93 Ų | 93 | 124.5 Ų | 124.5 | 77% | 0.769 | 78% | 0.776 | S | S | * | * | trans | 20.2 | 126.8 | 146.6 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 198 | E | 56.5 | Low | 49.7 | Very low | 196 Ų | 196 | 124.6 Ų | 124.6 | 92% | 0.916 | 78% | 0.777 | S | S | * | * | trans | -115.1 | 134 | 139.8 | -69.8 | -142.9 | 114.3 | 0 | 0 | 109.3 | ||||
| 199 | P | 49.5 | Very low | 49.9 | Very low | 126 Ų | 126 | 129.5 Ų | 129.5 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | trans | -104.3 | 133.3 | 163.5 | 34.3 | -22.9 | 0 | 0 | 0 | 110.2 | ||||
| 200 | A | 54.2 | Low | 50 | Low | 95 Ų | 95 | 131.2 Ų | 131.2 | 79% | 0.785 | 79% | 0.786 | S | S | * | * | trans | -138.9 | 114.7 | 168.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 201 | E | 49.8 | Very low | 50 | Low | 188 Ų | 188 | 129.9 Ų | 129.9 | 88% | 0.879 | 79% | 0.788 | S | S | * | * | trans | 34.6 | 116.4 | 141.8 | -55.8 | -150.7 | 107 | 0 | 0 | 119.2 | ||||
| 202 | A | 49.9 | Very low | 50.3 | Low | 90 Ų | 90 | 135.1 Ų | 135.1 | 74% | 0.744 | 79% | 0.792 | S | S | * | * | 76.7 | 124.5 | 70.8 | 0 | 0 | 0 | 0 | 0 | 115 | |||||
| 203 | A | 49.3 | Very low | 49.8 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | trans | 69.8 | 151.3 | 166.4 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 204 | A | 52.2 | Low | 49.4 | Very low | 78 Ų | 78 | 134.7 Ų | 134.7 | 65% | 0.645 | 79% | 0.794 | S | S | * | * | cis | -174.1 | 151 | -23.8 | 0 | 0 | 0 | 0 | 0 | 104 | ||||
| 205 | D | 53 | Low | 49.1 | Very low | 155 Ų | 155 | 131.5 Ų | 131.5 | 83% | 0.829 | 79% | 0.792 | S | S | * | * | trans | 63.3 | 116.6 | 154.1 | -59.6 | -48.4 | 0 | 0 | 0 | 121.5 | ||||
| 206 | D | 50 | Low | 48.3 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 79% | 0.793 | S | S | * | * | 89.4 | 135.9 | 119.5 | -153.7 | 41.3 | 0 | 0 | 0 | 122.5 | |||||
| 207 | E | 46.9 | Very low | 48.3 | Very low | 154 Ų | 154 | 132.7 Ų | 132.7 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | 64.6 | 111.2 | 153 | -122.2 | 146.5 | 75.6 | 0 | 0 | 124.2 | ||||
| 208 | S | 45.5 | Very low | 48.1 | Very low | 94 Ų | 94 | 135.2 Ų | 135.2 | 66% | 0.657 | 79% | 0.794 | S | S | * | * | 57.8 | 122.9 | 127 | -63.9 | 0 | 0 | 0 | 0 | 122.4 | |||||
| 209 | R | 47.7 | Very low | 47.4 | Very low | 244 Ų | 244 | 132.8 Ų | 132.8 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | 62.3 | 113.8 | 141.6 | -65.1 | 174.2 | 172.9 | 172.5 | -1.2 | 116.9 | ||||
| 210 | N | 45.4 | Very low | 47.5 | Very low | 145 Ų | 145 | 135 Ų | 135 | 78% | 0.775 | 79% | 0.785 | S | S | * | * | -174.3 | 143.1 | 109.7 | -165.1 | 24.8 | 0 | 0 | 0 | 111.2 | |||||
| 211 | S | 45.7 | Very low | 47.6 | Very low | 99 Ų | 99 | 138 Ų | 138 | 69% | 0.692 | 78% | 0.783 | S | S | * | * | trans | -88.1 | 122.5 | 179.7 | -17.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 212 | Q | 46.6 | Very low | 47.8 | Very low | 185 Ų | 185 | 131.7 Ų | 131.7 | 86% | 0.864 | 77% | 0.768 | S | S | * | * | trans | -170.3 | 127.7 | 146.1 | -114.8 | 136.3 | -39.2 | 0 | 0 | 110.3 | ||||
| 213 | G | 43.6 | Very low | 48.7 | Very low | 71 Ų | 71 | 133.4 Ų | 133.4 | 73% | 0.732 | 76% | 0.761 | S | S | * | * | trans | -76.4 | 166.3 | -169.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 214 | Q | 41.7 | Very low | 49.9 | Very low | 197 Ų | 197 | 130.8 Ų | 130.8 | 92% | 0.921 | 74% | 0.744 | S | S | * | * | trans | -166.9 | 123.8 | 147.2 | -109.7 | 169 | -19.8 | 0 | 0 | 110.6 | ||||
| 215 | A | 43.1 | Very low | 51 | Low | 97 Ų | 97 | 131.9 Ų | 131.9 | 80% | 0.802 | 74% | 0.739 | S | S | * | * | trans | 51.3 | 111.7 | 146.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 216 | S | 45.7 | Very low | 52.3 | Low | 113 Ų | 113 | 127.3 Ų | 127.3 | 79% | 0.79 | 72% | 0.723 | S | S | * | * | trans | -70 | 141 | 155.2 | -49 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 217 | P | 50.4 | Low | 53.9 | Low | 128 Ų | 128 | 127.3 Ų | 127.3 | 83% | 0.831 | 72% | 0.719 | S | S | * | * | trans | -96.6 | 113.2 | 150.6 | 23.3 | -9.5 | 0 | 0 | 0 | 109.8 | ||||
| 218 | L | 43.6 | Very low | 55.4 | Low | 146 Ų | 146 | 125.1 Ų | 125.1 | 76% | 0.764 | 71% | 0.711 | S | S | * | * | trans | -73.5 | 127.6 | 168.5 | -85.1 | 164.2 | 0 | 0 | 0 | 110.2 | ||||
| 219 | L | 41.1 | Very low | 57.2 | Low | 144 Ų | 144 | 125.2 Ų | 125.2 | 75% | 0.754 | 70% | 0.704 | S | S | * | * | trans | 63.4 | 80.7 | 140.8 | -52 | 175.6 | 0 | 0 | 0 | 118.5 | ||||
| 220 | E | 53.1 | Low | 59 | Low | 172 Ų | 172 | 116.3 Ų | 116.3 | 80% | 0.804 | 68% | 0.683 | S | S | * | * | trans | -106.2 | 23.1 | 158.8 | -79 | -110 | 137.6 | 0 | 0 | 112.2 | ||||
| 221 | E | 54.6 | Low | 61 | Low | 159 Ų | 159 | 113.3 Ų | 113.3 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | trans | -88.6 | 2.2 | -179.6 | -64 | -157.3 | 138.7 | 0 | 0 | 114.2 | N225 | E221-N225 PolarHBondContact O-ND2 3.48Å; E221-N225 VanDerWaalsContact O-ND2 3.15Å | ||
| 222 | G | 55.3 | Low | 62.8 | Low | 55 Ų | 55 | 111.8 Ų | 111.8 | 57% | 0.567 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -79.2 | -39.4 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | A226 | G222-A226 PolarHBondContact O-N 2.93Å |
| 223 | E | 69.2 | Low | 64.8 | Low | 126 Ų | 126 | 111.7 Ų | 111.7 | 59% | 0.589 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -76.9 | -35.5 | -171.6 | -79.4 | 173.7 | 131.9 | 0 | 0 | 113.3 | N225 A226 Q227 | E223-N225 VanDerWaalsContact C-N 3.31Å; E223-N225 PolarHBondContact O-N 3.45Å; E223-A226 PolarHBondContact O-N 2.9Å; E223-Q227 WeakPolarHBondContact O-CG 3.18Å; E223-Q227 PolarHBondContact O-N 3.36Å |
| 224 | G | 73.7 | Confident | 66.9 | Low | 49 Ų | 49 | 116.2 Ų | 116.2 | 51% | 0.505 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -60.3 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L228 | G224-L228 WeakPolarHBondContact O-CB 3.24Å; G224-L228 PolarHBondContact O-N 2.69Å |
| 225 | N | 76.1 | Confident | 69 | Low | 102 Ų | 102 | 110.5 Ų | 110.5 | 55% | 0.545 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -67.9 | -37.9 | 176.4 | -74.2 | -37.7 | 0 | 0 | 0 | 112.3 | E221 E223 L229 | E221-N225 PolarHBondContact O-ND2 3.48Å; E221-N225 VanDerWaalsContact O-ND2 3.15Å; E223-N225 VanDerWaalsContact C-N 3.31Å; E223-N225 PolarHBondContact O-N 3.45Å; N225-L229 WeakPolarHBondContact O-CB 3.31Å; N225-L229 WeakPolarHBondContact O-CG 3.46Å; N225-L229 PolarHBondContact O-N 2.94Å |
| 226 | A | 79.1 | Confident | 71.2 | Confident | 59 Ų | 59 | 110 Ų | 110 | 49% | 0.488 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66.7 | -43.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | G222 E223 L229 A230 | G222-A226 PolarHBondContact O-N 2.93Å; E223-A226 PolarHBondContact O-N 2.9Å; A226-L229 PolarHBondContact O-N 3.19Å; A226-A230 WeakPolarHBondContact O-CB 3.28Å; A226-A230 PolarHBondContact O-N 2.92Å |
| 227 | Q | 83.3 | Confident | 73.2 | Confident | 135 Ų | 135 | 113.5 Ų | 113.5 | 63% | 0.631 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -64.5 | -44.2 | 175.6 | -69.8 | -178.3 | 32.7 | 0 | 0 | 111.4 | E223 L229 A230 V231 | E223-Q227 WeakPolarHBondContact O-CG 3.18Å; E223-Q227 PolarHBondContact O-N 3.36Å; Q227-L229 VanDerWaalsContact C-N 3.35Å; Q227-L229 PolarHBondContact O-N 3.44Å; Q227-A230 WeakPolarHBondContact O-CB 3.45Å; Q227-A230 PolarHBondContact O-N 3.49Å; Q227-A230 VanDerWaalsContact O-N 3.15Å; Q227-V231 WeakPolarHBondContact O-CG2 3.41Å; Q227-V231 PolarHBondContact O-N 3.43Å |
| 228 | L | 79.3 | Confident | 74.9 | Confident | 107 Ų | 107 | 112 Ų | 112 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -59.5 | -45 | 175.6 | -178.5 | 62.3 | 0 | 0 | 0 | 111.6 | G224 A230 V231 V232 | G224-L228 WeakPolarHBondContact O-CB 3.24Å; G224-L228 PolarHBondContact O-N 2.69Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 3.31Å; L228-V231 PolarHBondContact O-N 2.96Å; L228-V232 HydrophobicContact CD1-CG2 4.45Å; L228-V232 VanDerWaalsContact O-CG2 3.29Å; L228-V232 WeakPolarHBondContact O-CG2 3.48Å; L228-V232 PolarHBondContact O-N 2.95Å |
| 229 | L | 82.7 | Confident | 77 | Confident | 97 Ų | 97 | 107.5 Ų | 107.5 | 51% | 0.508 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -62.6 | -37.4 | 175.3 | -79.8 | 165.3 | 0 | 0 | 0 | 112.5 | N225 A226 Q227 V232 R233 | N225-L229 WeakPolarHBondContact O-CB 3.31Å; N225-L229 WeakPolarHBondContact O-CG 3.46Å; N225-L229 PolarHBondContact O-N 2.94Å; A226-L229 PolarHBondContact O-N 3.19Å; Q227-L229 VanDerWaalsContact C-N 3.35Å; Q227-L229 PolarHBondContact O-N 3.44Å; L229-V232 PolarHBondContact O-N 3.41Å; L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 VanDerWaalsContact O-CG 3.22Å; L229-R233 WeakPolarHBondContact O-CG 3.32Å; L229-R233 PolarHBondContact O-N 2.86Å |
| 230 | A | 86.2 | Confident | 79.3 | Confident | 57 Ų | 57 | 104.3 Ų | 104.3 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -64.9 | -43 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | A226 Q227 L228 R233 R234 | A226-A230 WeakPolarHBondContact O-CB 3.28Å; A226-A230 PolarHBondContact O-N 2.92Å; Q227-A230 WeakPolarHBondContact O-CB 3.45Å; Q227-A230 PolarHBondContact O-N 3.49Å; Q227-A230 VanDerWaalsContact O-N 3.15Å; L228-A230 VanDerWaalsContact C-N 3.33Å; L228-A230 PolarHBondContact O-N 3.31Å; A230-R233 PolarHBondContact O-N 3.4Å; A230-R234 PolarHBondContact O-N 3.34Å |
| 231 | V | 86.3 | Confident | 80.9 | Confident | 81 Ų | 81 | 102.7 Ų | 102.7 | 49% | 0.491 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.1 | -47.8 | 174.7 | 174.4 | 0 | 0 | 0 | 0 | 110.7 | Q227 L228 R233 R234 M235 | Q227-V231 WeakPolarHBondContact O-CG2 3.41Å; Q227-V231 PolarHBondContact O-N 3.43Å; L228-V231 PolarHBondContact O-N 2.96Å; V231-R233 VanDerWaalsContact C-N 3.35Å; V231-R233 PolarHBondContact O-N 3.04Å; V231-R234 WeakPolarHBondContact O-CB 3.34Å; V231-R234 PolarHBondContact O-N 2.89Å; V231-R234 VanDerWaalsContact O-N 3.16Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.01Å; V231-M235 WeakPolarHBondContact O-CG 3.44Å; V231-M235 PolarHBondContact O-N 3.22Å |
| 232 | V | 84.1 | Confident | 82.4 | Confident | 68 Ų | 68 | 99 Ų | 99 | 41% | 0.412 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 177.6 | 171.8 | 0 | 0 | 0 | 0 | 111.3 | L228 L229 R234 M235 V236 | L228-V232 HydrophobicContact CD1-CG2 4.45Å; L228-V232 VanDerWaalsContact O-CG2 3.29Å; L228-V232 WeakPolarHBondContact O-CG2 3.48Å; L228-V232 PolarHBondContact O-N 2.95Å; L229-V232 PolarHBondContact O-N 3.41Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 2.93Å; V232-M235 PolarHBondContact O-N 3.33Å; V232-V236 HydrophobicContact CG1-CG2 4.38Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.22Å; V232-V236 PolarHBondContact O-N 3.4Å |
| 233 | R | 87.7 | Confident | 83.7 | Confident | 182 Ų | 182 | 100.9 Ų | 100.9 | 69% | 0.687 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.1 | -40.2 | 175.9 | -77.2 | 171.9 | 178.4 | 177.7 | 1 | 112.2 | L229 A230 V231 R237 | L229-R233 WeakPolarHBondContact O-CB 3.45Å; L229-R233 VanDerWaalsContact O-CG 3.22Å; L229-R233 WeakPolarHBondContact O-CG 3.32Å; L229-R233 PolarHBondContact O-N 2.86Å; A230-R233 PolarHBondContact O-N 3.4Å; V231-R233 VanDerWaalsContact C-N 3.35Å; V231-R233 PolarHBondContact O-N 3.04Å; R233-R237 PolarHBondContact O-N 3.35Å; R233-R237 VanDerWaalsContact O-N 3.07Å |
| 234 | R | 88.6 | Confident | 84.5 | Confident | 166 Ų | 166 | 99 Ų | 99 | 63% | 0.626 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.9 | -47.7 | 175.5 | -178.7 | -179.8 | 172.5 | 178.9 | -0.2 | 111.1 | A230 V231 V232 V236 R237 E238 | A230-R234 PolarHBondContact O-N 3.34Å; V231-R234 WeakPolarHBondContact O-CB 3.34Å; V231-R234 PolarHBondContact O-N 2.89Å; V231-R234 VanDerWaalsContact O-N 3.16Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 2.93Å; R234-V236 PolarHBondContact O-N 2.93Å; R234-R237 WeakPolarHBondContact O-CB 3.22Å; R234-R237 PolarHBondContact O-N 2.9Å; R234-E238 WeakPolarHBondContact CG-OE1 3.35Å; R234-E238 IonicContact CZ-OE1 3.45Å; R234-E238 IonicContact NE-OE1 2.84Å; R234-E238 PolarHBondContact NE-OE1 2.89Å; R234-E238 IonicContact NH2-OE1 3.43Å; R234-E238 PolarHBondContact NH2-OE1 3.32Å; R234-E238 WeakPolarHBondContact O-CG 3.31Å; R234-E238 PolarHBondContact O-N 3.43Å |
| 235 | M | 86.3 | Confident | 85 | Confident | 77 Ų | 77 | 98.7 Ų | 98.7 | 38% | 0.379 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.9 | -43 | 178.4 | -68.9 | 174.9 | 70.6 | 0 | 0 | 112.2 | L190 V231 V232 R237 E238 E239 | L190-M235 HydrophobicContact CD1-CE 3.68Å; V231-M235 HydrophobicContact CG1-CG 4.42Å; V231-M235 HydrophobicContact CG1-SD 4.01Å; V231-M235 WeakPolarHBondContact O-CG 3.44Å; V231-M235 PolarHBondContact O-N 3.22Å; V232-M235 PolarHBondContact O-N 3.33Å; M235-R237 VanDerWaalsContact C-N 3.34Å; M235-R237 PolarHBondContact O-N 3.46Å; M235-E238 PolarHBondContact O-N 3.01Å; M235-E239 WeakPolarHBondContact O-CB 3.33Å; M235-E239 PolarHBondContact O-N 3.46Å |
| 236 | V | 88.7 | Confident | 85.3 | Confident | 87 Ų | 87 | 97.4 Ų | 97.4 | 53% | 0.527 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -42 | 176.3 | 171.9 | 0 | 0 | 0 | 0 | 110.9 | V232 R234 E239 V240 | V232-V236 HydrophobicContact CG1-CG2 4.38Å; V232-V236 VanDerWaalsContact O-CG2 3.31Å; V232-V236 WeakPolarHBondContact O-CG2 3.22Å; V232-V236 PolarHBondContact O-N 3.4Å; R234-V236 PolarHBondContact O-N 2.93Å; V236-E239 PolarHBondContact O-N 2.89Å; V236-V240 HydrophobicContact CG1-CG2 4.29Å; V236-V240 WeakPolarHBondContact O-CB 3.42Å; V236-V240 WeakPolarHBondContact O-CG2 3.49Å; V236-V240 PolarHBondContact O-N 3.44Å |
| 237 | R | 87 | Confident | 85.5 | Confident | 187 Ų | 187 | 99.9 Ų | 99.9 | 71% | 0.706 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -61.3 | -47.6 | 176.3 | -175.7 | -171.7 | -63.2 | -178.8 | -1 | 111.4 | R233 R234 M235 V240 Q241 | R233-R237 PolarHBondContact O-N 3.35Å; R233-R237 VanDerWaalsContact O-N 3.07Å; R234-R237 WeakPolarHBondContact O-CB 3.22Å; R234-R237 PolarHBondContact O-N 2.9Å; M235-R237 VanDerWaalsContact C-N 3.34Å; M235-R237 PolarHBondContact O-N 3.46Å; R237-V240 PolarHBondContact O-N 2.98Å; R237-Q241 WeakPolarHBondContact O-CB 3.39Å; R237-Q241 PolarHBondContact O-N 3.48Å |
| 238 | E | 86.9 | Confident | 85.6 | Confident | 95 Ų | 95 | 95.9 Ų | 95.9 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.1 | -42.1 | 179.8 | -72.1 | 173.3 | -176.2 | 0 | 0 | 111.2 | R234 M235 Q241 R242 | R234-E238 WeakPolarHBondContact CG-OE1 3.35Å; R234-E238 IonicContact CZ-OE1 3.45Å; R234-E238 IonicContact NE-OE1 2.84Å; R234-E238 PolarHBondContact NE-OE1 2.89Å; R234-E238 IonicContact NH2-OE1 3.43Å; R234-E238 PolarHBondContact NH2-OE1 3.32Å; R234-E238 WeakPolarHBondContact O-CG 3.31Å; R234-E238 PolarHBondContact O-N 3.43Å; M235-E238 PolarHBondContact O-N 3.01Å; E238-Q241 PolarHBondContact O-N 3.34Å; E238-R242 WeakPolarHBondContact O-CB 3.39Å; E238-R242 PolarHBondContact O-N 3.28Å |
| 239 | E | 87.1 | Confident | 85.8 | Confident | 52 Ų | 52 | 99.5 Ų | 99.5 | 24% | 0.243 | 50% | 0.495 | C | S | . | . | H | α-helix | trans | -68.8 | -41 | 177.7 | -174.8 | 56.5 | -148.9 | 0 | 0 | 112.2 | M235 V236 Q241 R242 Q243 | M235-E239 WeakPolarHBondContact O-CB 3.33Å; M235-E239 PolarHBondContact O-N 3.46Å; V236-E239 PolarHBondContact O-N 2.89Å; E239-Q241 VanDerWaalsContact C-N 3.3Å; E239-Q241 PolarHBondContact O-N 3.46Å; E239-R242 WeakPolarHBondContact O-CB 3.37Å; E239-R242 PolarHBondContact O-N 2.96Å; E239-R242 IonicContact OE1-CZ 3.96Å; E239-R242 IonicContact OE1-NE 3.46Å; E239-R242 PolarHBondContact OE1-NE 3.12Å; E239-R242 IonicContact OE1-NH2 3.52Å; E239-R242 IonicContact OE2-NE 3.32Å; E239-R242 PolarHBondContact OE2-NE 3.44Å; E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.2Å; E239-Q243 WeakPolarHBondContact OE1-CG 3.46Å; E239-Q243 PolarHBondContact OE1-NE2 3.01Å |
| 240 | V | 90.3 | Very high | 85.9 | Confident | 78 Ų | 78 | 98 Ų | 98 | 47% | 0.473 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.2 | -41.5 | 173.7 | 169.3 | 0 | 0 | 0 | 0 | 110.6 | V236 R237 Q243 T244 | V236-V240 HydrophobicContact CG1-CG2 4.29Å; V236-V240 WeakPolarHBondContact O-CB 3.42Å; V236-V240 WeakPolarHBondContact O-CG2 3.49Å; V236-V240 PolarHBondContact O-N 3.44Å; R237-V240 PolarHBondContact O-N 2.98Å; V240-Q243 PolarHBondContact O-N 2.69Å; V240-T244 VanDerWaalsContact O-CB 3.32Å; V240-T244 WeakPolarHBondContact O-CB 3.32Å; V240-T244 PolarHBondContact O-N 2.91Å; V240-T244 PolarHBondContact O-OG1 3.38Å |
| 241 | Q | 85.7 | Confident | 85.9 | Confident | 137 Ų | 137 | 101 Ų | 101 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -40 | 176.3 | -169.6 | 166.7 | 7.8 | 0 | 0 | 111.6 | R237 E238 E239 T244 G245 | R237-Q241 WeakPolarHBondContact O-CB 3.39Å; R237-Q241 PolarHBondContact O-N 3.48Å; E238-Q241 PolarHBondContact O-N 3.34Å; E239-Q241 VanDerWaalsContact C-N 3.3Å; E239-Q241 PolarHBondContact O-N 3.46Å; Q241-T244 PolarHBondContact O-N 2.9Å; Q241-G245 PolarHBondContact O-N 2.86Å |
| 242 | R | 87.5 | Confident | 85.8 | Confident | 81 Ų | 81 | 103.8 Ų | 103.8 | 31% | 0.306 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.9 | -47.3 | 175.9 | -154.7 | -168.9 | 77.5 | 62.4 | 25.8 | 111.9 | E238 E239 G245 Q246 | E238-R242 WeakPolarHBondContact O-CB 3.39Å; E238-R242 PolarHBondContact O-N 3.28Å; E239-R242 WeakPolarHBondContact O-CB 3.37Å; E239-R242 PolarHBondContact O-N 2.96Å; E239-R242 IonicContact OE1-CZ 3.96Å; E239-R242 IonicContact OE1-NE 3.46Å; E239-R242 PolarHBondContact OE1-NE 3.12Å; E239-R242 IonicContact OE1-NH2 3.52Å; E239-R242 IonicContact OE2-NE 3.32Å; E239-R242 PolarHBondContact OE2-NE 3.44Å; R242-G245 PolarHBondContact O-N 2.96Å; R242-Q246 VanDerWaalsContact NH1-CD 3.3Å; R242-Q246 WeakPolarHBondContact O-CG 3.39Å; R242-Q246 PolarHBondContact O-N 3.14Å |
| 243 | Q | 82.3 | Confident | 85.6 | Confident | 96 Ų | 96 | 103 Ų | 103 | 45% | 0.449 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.9 | -40.9 | 178 | -70.9 | -179.4 | 9.9 | 0 | 0 | 111.9 | E239 V240 G245 Q246 L247 | E239-Q243 WeakPolarHBondContact O-CG 3.44Å; E239-Q243 PolarHBondContact O-N 3.2Å; E239-Q243 WeakPolarHBondContact OE1-CG 3.46Å; E239-Q243 PolarHBondContact OE1-NE2 3.01Å; V240-Q243 PolarHBondContact O-N 2.69Å; Q243-G245 VanDerWaalsContact C-N 3.32Å; Q243-G245 PolarHBondContact O-N 3.38Å; Q243-Q246 PolarHBondContact O-N 2.93Å; Q243-L247 WeakPolarHBondContact O-CB 3.45Å; Q243-L247 PolarHBondContact O-N 3.21Å |
| 244 | T | 85.6 | Confident | 85.3 | Confident | 87 Ų | 87 | 96.6 Ų | 96.6 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.3 | -40.7 | 175.8 | -53.2 | 0 | 0 | 0 | 0 | 110.9 | V240 Q241 L247 A248 | V240-T244 VanDerWaalsContact O-CB 3.32Å; V240-T244 WeakPolarHBondContact O-CB 3.32Å; V240-T244 PolarHBondContact O-N 2.91Å; V240-T244 PolarHBondContact O-OG1 3.38Å; Q241-T244 PolarHBondContact O-N 2.9Å; T244-L247 PolarHBondContact O-N 3.47Å; T244-A248 WeakPolarHBondContact O-CB 3.42Å; T244-A248 PolarHBondContact O-N 3.3Å |
| 245 | G | 84.6 | Confident | 85.1 | Confident | 41 Ų | 41 | 91.2 Ų | 91.2 | 42% | 0.423 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.6 | -41.7 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q241 R242 Q243 A248 Y249 | Q241-G245 PolarHBondContact O-N 2.86Å; R242-G245 PolarHBondContact O-N 2.96Å; Q243-G245 VanDerWaalsContact C-N 3.32Å; Q243-G245 PolarHBondContact O-N 3.38Å; G245-A248 PolarHBondContact O-N 2.91Å; G245-Y249 WeakPolarHBondContact O-CB 3.45Å; G245-Y249 PolarHBondContact O-N 3.5Å |
| 246 | Q | 81 | Confident | 84.8 | Confident | 76 Ų | 76 | 90 Ų | 90 | 36% | 0.355 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.7 | -41 | 174.8 | -74.4 | -173.9 | -36.7 | 0 | 0 | 112.4 | R242 Q243 Y249 S250 | R242-Q246 VanDerWaalsContact NH1-CD 3.3Å; R242-Q246 WeakPolarHBondContact O-CG 3.39Å; R242-Q246 PolarHBondContact O-N 3.14Å; Q243-Q246 PolarHBondContact O-N 2.93Å; Q246-Y249 PolarHBondContact O-N 3.41Å; Q246-S250 PolarHBondContact O-N 2.91Å; Q246-S250 PolarHBondContact O-OG 3.43Å |
| 247 | L | 84.8 | Confident | 84.3 | Confident | 110 Ų | 110 | 88.9 Ų | 88.9 | 58% | 0.576 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 174.1 | -99.2 | 143.1 | 0 | 0 | 0 | 111.7 | Q243 T244 Y249 S250 L251 | Q243-L247 WeakPolarHBondContact O-CB 3.45Å; Q243-L247 PolarHBondContact O-N 3.21Å; T244-L247 PolarHBondContact O-N 3.47Å; L247-Y249 VanDerWaalsContact C-N 3.34Å; L247-Y249 PolarHBondContact O-N 3.38Å; L247-S250 PolarHBondContact O-N 3.41Å; L247-S250 PolarHBondContact O-OG 2.86Å; L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 2.94Å |
| 248 | A | 84.8 | Confident | 83.9 | Confident | 52 Ų | 52 | 89 Ų | 89 | 43% | 0.43 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | T244 G245 L251 M252 | T244-A248 WeakPolarHBondContact O-CB 3.42Å; T244-A248 PolarHBondContact O-N 3.3Å; G245-A248 PolarHBondContact O-N 2.91Å; A248-L251 PolarHBondContact O-N 2.91Å; A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.42Å; A248-M252 PolarHBondContact O-N 2.91Å |
| 249 | Y | 83.1 | Confident | 83.4 | Confident | 182 Ų | 182 | 87.8 Ų | 87.8 | 71% | 0.714 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.3 | -44.2 | 176.5 | -176.3 | -97.2 | 0 | 0 | 0 | 112.3 | G245 Q246 L247 M252 A253 | G245-Y249 WeakPolarHBondContact O-CB 3.45Å; G245-Y249 PolarHBondContact O-N 3.5Å; Q246-Y249 PolarHBondContact O-N 3.41Å; L247-Y249 VanDerWaalsContact C-N 3.34Å; L247-Y249 PolarHBondContact O-N 3.38Å; Y249-M252 PolarHBondContact O-N 3.11Å; Y249-A253 VanDerWaalsContact O-CB 3.29Å; Y249-A253 WeakPolarHBondContact O-CB 3.16Å; Y249-A253 PolarHBondContact O-N 2.93Å |
| 250 | S | 85.1 | Confident | 82.7 | Confident | 65 Ų | 65 | 93.8 Ų | 93.8 | 46% | 0.455 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68 | -37.5 | 178.8 | 71.6 | 0 | 0 | 0 | 0 | 112.5 | Q246 L247 A253 A254 | Q246-S250 PolarHBondContact O-N 2.91Å; Q246-S250 PolarHBondContact O-OG 3.43Å; L247-S250 PolarHBondContact O-N 3.41Å; L247-S250 PolarHBondContact O-OG 2.86Å; S250-A253 PolarHBondContact O-N 3.41Å; S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 2.91Å |
| 251 | L | 85.4 | Confident | 81.7 | Confident | 120 Ų | 120 | 92.6 Ų | 92.6 | 63% | 0.628 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.2 | -44.6 | 174.4 | -123.2 | 158.5 | 0 | 0 | 0 | 111.5 | L247 A248 A254 A255 | L247-L251 WeakPolarHBondContact O-CB 3.4Å; L247-L251 PolarHBondContact O-N 2.94Å; A248-L251 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 3.35Å; L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 3.5Å |
| 252 | M | 84.4 | Confident | 80.5 | Confident | 140 Ų | 140 | 93.7 Ų | 93.7 | 69% | 0.69 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -64.9 | -41.8 | 176.2 | -70 | -71.2 | -85.4 | 0 | 0 | 111.6 | A248 Y249 A254 A255 A256 | A248-M252 WeakPolarHBondContact O-CB 3.38Å; A248-M252 WeakPolarHBondContact O-CG 3.42Å; A248-M252 PolarHBondContact O-N 2.91Å; Y249-M252 PolarHBondContact O-N 3.11Å; M252-A254 PolarHBondContact O-N 3.37Å; M252-A255 PolarHBondContact O-N 3.01Å; M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 3.22Å |
| 253 | A | 80.4 | Confident | 79.2 | Confident | 52 Ų | 52 | 98.5 Ų | 98.5 | 43% | 0.43 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.5 | -42.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y249 S250 A256 A257 | Y249-A253 VanDerWaalsContact O-CB 3.29Å; Y249-A253 WeakPolarHBondContact O-CB 3.16Å; Y249-A253 PolarHBondContact O-N 2.93Å; S250-A253 PolarHBondContact O-N 3.41Å; A253-A256 PolarHBondContact O-N 3.09Å; A253-A257 WeakPolarHBondContact O-CB 3.49Å; A253-A257 PolarHBondContact O-N 3.41Å |
| 254 | A | 82.6 | Confident | 77.4 | Confident | 48 Ų | 48 | 108.7 Ų | 108.7 | 40% | 0.397 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -66.6 | -40 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | S250 L251 M252 A257 R258 | S250-A254 WeakPolarHBondContact O-CB 3.35Å; S250-A254 PolarHBondContact O-N 2.91Å; L251-A254 PolarHBondContact O-N 3.35Å; M252-A254 PolarHBondContact O-N 3.37Å; A254-A257 PolarHBondContact O-N 3.48Å; A254-R258 WeakPolarHBondContact O-CG 3.48Å; A254-R258 PolarHBondContact O-N 2.92Å; A254-R258 VanDerWaalsContact O-N 3.11Å |
| 255 | A | 82.6 | Confident | 76.9 | Confident | 53 Ų | 53 | 109.8 Ų | 109.8 | 44% | 0.438 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -63.9 | -44.5 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L251 M252 A257 R258 A259 | L251-A255 WeakPolarHBondContact O-CB 3.4Å; L251-A255 PolarHBondContact O-N 3.5Å; M252-A255 PolarHBondContact O-N 3.01Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 3.26Å; A255-R258 PolarHBondContact O-N 3.37Å; A255-A259 PolarHBondContact O-N 3.04Å; A255-A259 VanDerWaalsContact O-N 3.09Å |
| 256 | A | 80.2 | Confident | 76.5 | Confident | 51 Ų | 51 | 113.4 Ų | 113.4 | 42% | 0.421 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.4 | -36.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M252 A253 K260 | M252-A256 WeakPolarHBondContact O-CB 3.29Å; M252-A256 PolarHBondContact O-N 3.22Å; A253-A256 PolarHBondContact O-N 3.09Å; A256-K260 PolarHBondContact O-N 3.22Å |
| 257 | A | 79.4 | Confident | 76.3 | Confident | 63 Ų | 63 | 115.4 Ų | 115.4 | 52% | 0.521 | 62% | 0.615 | S | S | . | * | H | α-helix | trans | -65.4 | -39.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A253 A254 A255 K260 G261 | A253-A257 WeakPolarHBondContact O-CB 3.49Å; A253-A257 PolarHBondContact O-N 3.41Å; A254-A257 PolarHBondContact O-N 3.48Å; A255-A257 VanDerWaalsContact C-N 3.33Å; A255-A257 PolarHBondContact O-N 3.26Å; A257-K260 PolarHBondContact O-N 3.43Å; A257-G261 PolarHBondContact O-N 3.28Å |
| 258 | R | 78.9 | Confident | 75.8 | Confident | 190 Ų | 190 | 115.8 Ų | 115.8 | 72% | 0.717 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -66.6 | -38.5 | 176.4 | -74.7 | 178.3 | 179.4 | 161.7 | 0.4 | 113.1 | A254 A255 K260 G261 H262 | A254-R258 WeakPolarHBondContact O-CG 3.48Å; A254-R258 PolarHBondContact O-N 2.92Å; A254-R258 VanDerWaalsContact O-N 3.11Å; A255-R258 PolarHBondContact O-N 3.37Å; R258-K260 VanDerWaalsContact C-N 3.35Å; R258-G261 PolarHBondContact O-N 3.46Å; R258-H262 PolarHBondContact O-ND1 3.28Å |
| 259 | A | 76.4 | Confident | 75.2 | Confident | 69 Ų | 69 | 119.8 Ų | 119.8 | 57% | 0.57 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -64.7 | -38.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | A255 G261 H262 | A255-A259 PolarHBondContact O-N 3.04Å; A255-A259 VanDerWaalsContact O-N 3.09Å; A259-G261 VanDerWaalsContact C-N 3.27Å; A259-G261 PolarHBondContact O-N 3.5Å; A259-H262 PolarHBondContact O-N 3.37Å |
| 260 | K | 72.4 | Confident | 74.7 | Confident | 178 Ų | 178 | 115.6 Ų | 115.6 | 77% | 0.774 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.7 | -21 | 176.7 | -71 | 177.4 | -178.4 | 178.7 | 0 | 113.8 | A256 A257 R258 | A256-K260 PolarHBondContact O-N 3.22Å; A257-K260 PolarHBondContact O-N 3.43Å; R258-K260 VanDerWaalsContact C-N 3.35Å |
| 261 | G | 69.6 | Low | 74 | Confident | 54 Ų | 54 | 119.2 Ų | 119.2 | 56% | 0.557 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.3 | -14.2 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | A257 R258 A259 | A257-G261 PolarHBondContact O-N 3.28Å; R258-G261 PolarHBondContact O-N 3.46Å; A259-G261 VanDerWaalsContact C-N 3.27Å; A259-G261 PolarHBondContact O-N 3.5Å |
| 262 | H | 59.4 | Low | 73.1 | Confident | 160 Ų | 160 | 119.2 Ų | 119.2 | 74% | 0.741 | 64% | 0.636 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | 10.5 | -175.4 | -78.2 | 78.7 | 0 | 0 | 0 | 114.4 | R258 A259 | R258-H262 PolarHBondContact O-ND1 3.28Å; A259-H262 PolarHBondContact O-N 3.37Å |
| 263 | H | 60.2 | Low | 72.1 | Confident | 182 Ų | 182 | 117.4 Ų | 117.4 | 84% | 0.843 | 63% | 0.631 | S | S | * | * | trans | -115.9 | 31.3 | 178.1 | -85.3 | -15.3 | 0 | 0 | 0 | 113.8 | ||||
| 264 | R | 43.9 | Very low | 71.4 | Confident | 309 Ų | 309 | 123.4 Ų | 123.4 | 100% | 1.166 | 65% | 0.649 | S | S | * | * | trans | -125.2 | 0 | 166.4 | -94.3 | -168.9 | 171.6 | -158.3 | -1.5 | 109.8 |
Retrieved 264 of 264 residues in 130.8 ms
(Link to these results)