| 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 | 34.5 | Very low | 34.1 | Very low | 249 Ų | 249 | 133.6 Ų | 133.6 | 100% | 1.227 | 80% | 0.802 | S | S | * | * | 0 | 98.2 | 0 | -83.2 | -122.3 | -93.3 | 0 | 0 | 109 | |||||
| 2 | S | 36.4 | Very low | 34.9 | Very low | 104 Ų | 104 | 131.7 Ų | 131.7 | 73% | 0.727 | 79% | 0.791 | S | S | * | * | trans | 158 | 69.3 | 162.9 | 178.3 | 0 | 0 | 0 | 0 | 105.9 | L4 | S2-L4 PolarHBondContact O-N 3.47Š| ||
| 3 | A | 38.4 | Very low | 35.9 | Very low | 102 Ų | 102 | 127.5 Ų | 127.5 | 84% | 0.843 | 78% | 0.78 | S | S | * | * | trans | -69.8 | 107.6 | 162.3 | 0 | 0 | 0 | 0 | 0 | 104.9 | A5 | A3-A5 PolarHBondContact O-N 3.49Š| ||
| 4 | L | 34.3 | Very low | 37.3 | Very low | 144 Ų | 144 | 125.4 Ų | 125.4 | 75% | 0.754 | 76% | 0.762 | S | S | * | * | trans | -61.1 | 95.2 | 171.1 | -123.1 | 86.3 | 0 | 0 | 0 | 106.7 | S2 L6 | S2-L4 PolarHBondContact O-N 3.47Å; L4-L6 PolarHBondContact O-N 2.83Å | ||
| 5 | A | 33.9 | Very low | 39 | Very low | 88 Ų | 88 | 121.9 Ų | 121.9 | 73% | 0.727 | 74% | 0.737 | S | S | * | * | trans | -63.2 | 93.8 | 161.5 | 0 | 0 | 0 | 0 | 0 | 106.2 | A3 K7 | A3-A5 PolarHBondContact O-N 3.49Å; A5-K7 PolarHBondContact O-N 3.43Å | ||
| 6 | L | 31.9 | Very low | 41.1 | Very low | 160 Ų | 160 | 121.3 Ų | 121.3 | 84% | 0.838 | 73% | 0.728 | S | S | * | * | trans | -60.8 | 90.5 | 158.6 | -92.1 | 138.9 | 0 | 0 | 0 | 105.8 | L4 G8 | L4-L6 PolarHBondContact O-N 2.83Å; L6-G8 PolarHBondContact O-N 3.4Å | ||
| 7 | K | 29.5 | Very low | 43.7 | Very low | 187 Ų | 187 | 115.9 Ų | 115.9 | 81% | 0.813 | 69% | 0.692 | S | S | * | * | trans | -43.1 | 127.6 | 165.6 | -78.9 | 175.5 | 170.3 | 179 | 0 | 107.2 | A5 S9 | A5-K7 PolarHBondContact O-N 3.43Å; K7-S9 VanDerWaalsContact C-N 3.33Å; K7-S9 PolarHBondContact O-N 3.23Å | ||
| 8 | G | 29 | Very low | 45.8 | Very low | 79 Ų | 79 | 112.6 Ų | 112.6 | 81% | 0.814 | 67% | 0.667 | S | S | * | * | trans | -51.1 | 100.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 109 | L6 D10 | L6-G8 PolarHBondContact O-N 3.4Å; G8-D10 PolarHBondContact O-N 2.79Å | ||
| 9 | S | 31.2 | Very low | 47.8 | Very low | 101 Ų | 101 | 111.5 Ų | 111.5 | 71% | 0.706 | 67% | 0.666 | S | S | * | * | trans | -77.2 | 96.5 | 169 | 54.1 | 0 | 0 | 0 | 0 | 106.1 | K7 N11 | K7-S9 VanDerWaalsContact C-N 3.33Å; K7-S9 PolarHBondContact O-N 3.23Å; S9-N11 PolarHBondContact O-N 2.65Å; S9-N11 VanDerWaalsContact O-N 3.16Å | ||
| 10 | D | 35.8 | Very low | 49.6 | Very low | 118 Ų | 118 | 110.9 Ų | 110.9 | 63% | 0.631 | 66% | 0.663 | S | S | * | * | trans | 25.2 | 81.5 | 147.6 | -67.7 | -28.1 | 0 | 0 | 0 | 115.5 | G8 T12 A13 | G8-D10 PolarHBondContact O-N 2.79Å; D10-T12 PolarHBondContact O-N 3.18Å; D10-A13 PolarHBondContact O-N 3.34Å | ||
| 11 | N | 40.3 | Very low | 51.4 | Low | 138 Ų | 138 | 106.5 Ų | 106.5 | 74% | 0.738 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -56.6 | -13.8 | 163.7 | -100.6 | -3.3 | 0 | 0 | 0 | 112.3 | S9 | S9-N11 PolarHBondContact O-N 2.65Å; S9-N11 VanDerWaalsContact O-N 3.16Å |
| 12 | T | 43.9 | Very low | 53.9 | Low | 110 Ų | 110 | 103 Ų | 103 | 68% | 0.675 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.4 | -34.2 | 177.2 | 49.9 | 0 | 0 | 0 | 0 | 113 | D10 N14 | D10-T12 PolarHBondContact O-N 3.18Å; T12-N14 VanDerWaalsContact C-N 3.32Å; T12-N14 PolarHBondContact O-N 2.86Å |
| 13 | A | 47.2 | Very low | 56.4 | Low | 78 Ų | 78 | 103 Ų | 103 | 65% | 0.645 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -72.5 | -26.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | D10 | D10-A13 PolarHBondContact O-N 3.34Å |
| 14 | N | 56.3 | Low | 58.8 | Low | 98 Ų | 98 | 101.4 Ų | 101.4 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -84.5 | -17.4 | -174 | -154.9 | 7.8 | 0 | 0 | 0 | 113.5 | T12 W17 R50 | T12-N14 VanDerWaalsContact C-N 3.32Å; T12-N14 PolarHBondContact O-N 2.86Å; N14-W17 PolarHBondContact O-NE1 2.94Å; N14-R50 PolarHBondContact OD1-NH2 3.36Å |
| 15 | D | 62 | Low | 61.3 | Low | 73 Ų | 73 | 103.7 Ų | 103.7 | 39% | 0.39 | 59% | 0.593 | S | S | . | * | S | Bend | trans | -100 | 2.3 | -179.9 | -94.1 | -7.1 | 0 | 0 | 0 | 114 | W17 K18 | D15-W17 PolarHBondContact O-N 2.7Å; D15-W17 VanDerWaalsContact O-N 3.11Å; D15-K18 HydrophobicContact CB-CD 4.44Å; D15-K18 WeakPolarHBondContact O-CB 3.47Å; D15-K18 PolarHBondContact O-N 3.2Å; D15-K18 WeakPolarHBondContact OD1-CE 3.23Å; D15-K18 IonicContact OD1-NZ 2.77Å; D15-K18 PolarHBondContact OD1-NZ 3.34Å; D15-K18 IonicContact OD2-NZ 3.26Å; D15-K18 PolarHBondContact OD2-NZ 2.89Å |
| 16 | D | 73.6 | Confident | 63.8 | Low | 112 Ų | 112 | 105.7 Ų | 105.7 | 60% | 0.599 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -57.8 | -31.4 | -178.3 | -157.3 | 17.5 | 0 | 0 | 0 | 112.4 | K18 S19 | D16-K18 VanDerWaalsContact C-N 3.32Å; D16-K18 PolarHBondContact O-N 3.12Å; D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 3.14Å; D16-S19 PolarHBondContact O-OG 3.17Å |
| 17 | W | 83.9 | Confident | 66.6 | Low | 30 Ų | 30 | 100.7 Ų | 100.7 | 11% | 0.114 | 56% | 0.56 | C | S | . | * | H | α-helix | trans | -66.4 | -28.8 | 175.2 | 72.3 | -79.9 | 0 | 0 | 0 | 113.5 | N14 D15 S19 T20 L21 L53 K54 Y57 | N14-W17 PolarHBondContact O-NE1 2.94Å; D15-W17 PolarHBondContact O-N 2.7Å; D15-W17 VanDerWaalsContact O-N 3.11Å; W17-S19 PolarHBondContact O-N 3.11Å; W17-T20 PolarHBondContact O-N 3.48Å; W17-T20 VanDerWaalsContact O-N 3.15Å; W17-T20 PolarHBondContact O-OG1 3.09Å; W17-L21 HydrophobicContact CE3-CD1 4.08Å; W17-L21 HydrophobicContact CE3-CD2 4.16Å; W17-L21 HydrophobicContact CE3-CG 4.24Å; W17-L21 HydrophobicContact CH2-CD1 4.36Å; W17-L21 HydrophobicContact CZ3-CD1 3.65Å; W17-L21 HydrophobicContact CZ3-CD2 4.12Å; W17-L21 HydrophobicContact CZ3-CG 4.24Å; W17-L53 HydrophobicContact CH2-CB 3.81Å; W17-K54 HydrophobicContact CE3-CD 4.47Å; W17-K54 HydrophobicContact CE3-CG 3.58Å; W17-K54 HydrophobicContact CZ3-CB 4.22Å; W17-K54 HydrophobicContact CZ3-CG 3.43Å; W17-K54 VanDerWaalsContact CZ3-CG 3.43Å; W17-Y57 AromaticContact CH2-CD2 3.66Å; W17-Y57 HydrophobicContact CH2-CD2 3.66Å; W17-Y57 AromaticContact CH2-CE2 3.8Å; W17-Y57 HydrophobicContact CH2-CE2 3.8Å; W17-Y57 HydrophobicContact CZ2-CE2 4.34Å; W17-Y57 HydrophobicContact CZ3-CD2 4.28Å |
| 18 | K | 83.1 | Confident | 69.5 | Low | 55 Ų | 55 | 95.3 Ų | 95.3 | 24% | 0.239 | 54% | 0.538 | C | S | . | . | H | α-helix | trans | -64.6 | -32.2 | 177.3 | -71.4 | 179.8 | 178.3 | 146.4 | 0 | 110.9 | D15 D16 T20 L21 E44 | D15-K18 HydrophobicContact CB-CD 4.44Å; D15-K18 WeakPolarHBondContact O-CB 3.47Å; D15-K18 PolarHBondContact O-N 3.2Å; D15-K18 WeakPolarHBondContact OD1-CE 3.23Å; D15-K18 IonicContact OD1-NZ 2.77Å; D15-K18 PolarHBondContact OD1-NZ 3.34Å; D15-K18 IonicContact OD2-NZ 3.26Å; D15-K18 PolarHBondContact OD2-NZ 2.89Å; D16-K18 VanDerWaalsContact C-N 3.32Å; D16-K18 PolarHBondContact O-N 3.12Å; K18-T20 PolarHBondContact O-N 2.82Å; K18-L21 HydrophobicContact CB-CD1 4.46Å; K18-L21 HydrophobicContact CG-CD1 4.47Å; K18-L21 WeakPolarHBondContact O-CB 3.13Å; K18-L21 WeakPolarHBondContact O-CG 3.2Å; K18-L21 PolarHBondContact O-N 3.04Å; K18-L21 VanDerWaalsContact O-N 3.13Å; K18-E44 WeakPolarHBondContact CE-OE1 3.4Å; K18-E44 IonicContact NZ-OE1 3.74Å; K18-E44 PolarHBondContact NZ-OE1 3.47Å; K18-E44 IonicContact NZ-OE2 2.81Å; K18-E44 PolarHBondContact NZ-OE2 3.49Å |
| 19 | S | 82.7 | Confident | 72.6 | Confident | 92 Ų | 92 | 94 Ų | 94 | 64% | 0.643 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.7 | -24.2 | 176.9 | 80.3 | 0 | 0 | 0 | 0 | 113 | D16 W17 | D16-S19 WeakPolarHBondContact O-CB 3.32Å; D16-S19 PolarHBondContact O-N 3.14Å; D16-S19 PolarHBondContact O-OG 3.17Å; W17-S19 PolarHBondContact O-N 3.11Å |
| 20 | T | 84.7 | Confident | 75.5 | Confident | 100 Ų | 100 | 89.4 Ų | 89.4 | 61% | 0.613 | 48% | 0.476 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -8.4 | 179.9 | 72 | 0 | 0 | 0 | 0 | 113.5 | W17 K18 | W17-T20 PolarHBondContact O-N 3.48Å; W17-T20 VanDerWaalsContact O-N 3.15Å; W17-T20 PolarHBondContact O-OG1 3.09Å; K18-T20 PolarHBondContact O-N 2.82Å |
| 21 | L | 87.7 | Confident | 78.2 | Confident | 19 Ų | 19 | 86.4 Ų | 86.4 | 10% | 0.099 | 46% | 0.458 | C | S | . | . | trans | -77.2 | 139.9 | -176.4 | -61.5 | 179.7 | 0 | 0 | 0 | 111.8 | W17 K18 L23 K54 Y57 E58 | W17-L21 HydrophobicContact CE3-CD1 4.08Å; W17-L21 HydrophobicContact CE3-CD2 4.16Å; W17-L21 HydrophobicContact CE3-CG 4.24Å; W17-L21 HydrophobicContact CH2-CD1 4.36Å; W17-L21 HydrophobicContact CZ3-CD1 3.65Å; W17-L21 HydrophobicContact CZ3-CD2 4.12Å; W17-L21 HydrophobicContact CZ3-CG 4.24Å; K18-L21 HydrophobicContact CB-CD1 4.46Å; K18-L21 HydrophobicContact CG-CD1 4.47Å; K18-L21 WeakPolarHBondContact O-CB 3.13Å; K18-L21 WeakPolarHBondContact O-CG 3.2Å; K18-L21 PolarHBondContact O-N 3.04Å; K18-L21 VanDerWaalsContact O-N 3.13Å; L21-L23 HydrophobicContact CB-CD2 3.75Å; L21-L23 HydrophobicContact CB-CG 4.09Å; L21-L23 HydrophobicContact CD1-CD2 4Å; L21-L23 PolarHBondContact O-N 2.84Å; L21-K54 HydrophobicContact CD2-CB 3.97Å; L21-K54 HydrophobicContact CD2-CG 3.89Å; L21-Y57 HydrophobicContact CD1-CD2 4.24Å; L21-Y57 HydrophobicContact CD1-CG 4.42Å; L21-E58 HydrophobicContact CB-CG 4.45Å; L21-E58 HydrophobicContact CD2-CG 4.12Å | ||
| 22 | K | 85.9 | Confident | 80.8 | Confident | 174 Ų | 174 | 79.9 Ų | 79.9 | 76% | 0.757 | 42% | 0.423 | S | S | * | . | trans | -88.9 | 85.8 | 168.7 | -65.1 | -177.1 | -178.3 | -177.4 | 0 | 109 | ||||
| 23 | L | 88.9 | Confident | 83.1 | Confident | 104 Ų | 104 | 75 Ų | 75 | 55% | 0.545 | 39% | 0.394 | S | S | . | . | P | Polyproline II helix | trans | -77.7 | 141.6 | 179.2 | -55.9 | -179.4 | 0 | 0 | 0 | 110.7 | L21 Y57 | L21-L23 HydrophobicContact CB-CD2 3.75Å; L21-L23 HydrophobicContact CB-CG 4.09Å; L21-L23 HydrophobicContact CD1-CD2 4Å; L21-L23 PolarHBondContact O-N 2.84Å; L23-Y57 WeakPolarHBondContact CD2-O 3.28Å |
| 24 | P | 88.4 | Confident | 85.1 | Confident | 70 Ų | 70 | 72.5 Ų | 72.5 | 46% | 0.455 | 37% | 0.37 | S | S | . | . | P | Polyproline II helix | trans | -69.8 | 165.8 | 169.7 | 30.2 | -32.8 | 0 | 0 | 0 | 111 | ||
| 25 | E | 87.7 | Confident | 86.7 | Confident | 191 Ų | 191 | 68.1 Ų | 68.1 | 89% | 0.893 | 35% | 0.347 | S | S | * | . | P | Polyproline II helix | trans | -59.3 | 141.3 | 173.2 | -69 | -175.7 | 170.2 | 0 | 0 | 111.4 | D27 | E25-D27 PolarHBondContact O-N 2.87Š|
| 26 | K | 86.6 | Confident | 87.9 | Confident | 131 Ų | 131 | 67.2 Ų | 67.2 | 57% | 0.57 | 34% | 0.344 | S | S | * | . | P | Polyproline II helix | trans | -68.9 | 128.3 | -179.2 | -173.2 | 166.1 | -171.8 | 168.9 | 0 | 110.7 | M28 E62 | K26-M28 HydrophobicContact CB-SD 4.4Å; K26-M28 HydrophobicContact CD-SD 3.99Å; K26-M28 HydrophobicContact CG-SD 3.91Å; K26-M28 PolarHBondContact O-N 3.37Å; K26-E62 WeakPolarHBondContact CE-OE2 3.34Å; K26-E62 WeakPolarHBondContact CG-OE1 3.33Å; K26-E62 IonicContact NZ-OE2 3.9Å |
| 27 | D | 89.7 | Confident | 88.3 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 29% | 0.289 | 34% | 0.339 | S | S | . | . | trans | -78.2 | 103.4 | 175 | -166.8 | -19.8 | 0 | 0 | 0 | 110.5 | E25 R29 H374 | E25-D27 PolarHBondContact O-N 2.87Å; D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 3.36Å; D27-R29 WeakPolarHBondContact OD1-CB 3.22Å; D27-R29 VanDerWaalsContact OD1-CG 3.26Å; D27-R29 WeakPolarHBondContact OD1-CG 3.34Å; D27-R29 IonicContact OD1-CZ 3.65Å; D27-R29 PolarHBondContact OD1-N 3.11Å; D27-R29 IonicContact OD1-NE 2.64Å; D27-R29 PolarHBondContact OD1-NE 2.73Å; D27-R29 IonicContact OD1-NH2 3.61Å; D27-R29 IonicContact OD2-CZ 2.83Å; D27-R29 IonicContact OD2-NE 2.64Å; D27-R29 PolarHBondContact OD2-NE 3.09Å; D27-R29 IonicContact OD2-NH2 3.38Å; D27-R29 PolarHBondContact OD2-NH2 2.94Å; D27-H374 IonicContact OD1-CE1 3.91Å; D27-H374 IonicContact OD2-CE1 3.37Å; D27-H374 PolarHBondContact OD2-CE1 2.93Å; D27-H374 IonicContact OD2-NE2 2.86Å; D27-H374 PolarHBondContact OD2-NE2 3.13Å | ||
| 28 | M | 91.7 | Very high | 87.9 | Confident | 74 Ų | 74 | 66.1 Ų | 66.1 | 37% | 0.365 | 35% | 0.348 | S | S | . | . | trans | -85.3 | 6 | -179.2 | -60.6 | -57.4 | -63.1 | 0 | 0 | 113.4 | K26 E420 N421 | K26-M28 HydrophobicContact CB-SD 4.4Å; K26-M28 HydrophobicContact CD-SD 3.99Å; K26-M28 HydrophobicContact CG-SD 3.91Å; K26-M28 PolarHBondContact O-N 3.37Å; M28-E420 PolarHBondContact O-N 3.27Å; M28-N421 WeakPolarHBondContact CE-ND2 3.38Å | ||
| 29 | R | 92.9 | Very high | 87.6 | Confident | 52 Ų | 52 | 71.7 Ų | 71.7 | 20% | 0.196 | 37% | 0.372 | C | S | . | . | B | Isolated β-bridge | trans | -72.9 | 144.3 | 177.4 | -63.9 | 177.3 | -68.3 | 171.6 | -4.8 | 110.7 | D27 K31 H374 Q418 | D27-R29 VanDerWaalsContact C-N 3.27Å; D27-R29 PolarHBondContact O-N 3.36Å; D27-R29 WeakPolarHBondContact OD1-CB 3.22Å; D27-R29 VanDerWaalsContact OD1-CG 3.26Å; D27-R29 WeakPolarHBondContact OD1-CG 3.34Å; D27-R29 IonicContact OD1-CZ 3.65Å; D27-R29 PolarHBondContact OD1-N 3.11Å; D27-R29 IonicContact OD1-NE 2.64Å; D27-R29 PolarHBondContact OD1-NE 2.73Å; D27-R29 IonicContact OD1-NH2 3.61Å; D27-R29 IonicContact OD2-CZ 2.83Å; D27-R29 IonicContact OD2-NE 2.64Å; D27-R29 PolarHBondContact OD2-NE 3.09Å; D27-R29 IonicContact OD2-NH2 3.38Å; D27-R29 PolarHBondContact OD2-NH2 2.94Å; R29-K31 PolarHBondContact O-N 2.87Å; R29-H374 VanDerWaalsContact CZ-ND1 3.3Å; R29-H374 PolarHBondContact NE-CE1 3.42Å; R29-H374 VanDerWaalsContact NE-CE1 3.28Å; R29-H374 PolarHBondContact NE-ND1 3.03Å; R29-H374 PolarHBondContact NH2-CD2 2.6Å; R29-H374 VanDerWaalsContact NH2-CD2 3.26Å; R29-H374 PolarHBondContact NH2-CE1 3.2Å; R29-H374 PolarHBondContact NH2-NE2 3.3Å; R29-Q418 CarbonylContact C-O 3.38Å; R29-Q418 VanDerWaalsContact CA-O 3.27Å; R29-Q418 WeakPolarHBondContact CA-O 3.23Å; R29-Q418 HydrophobicContact CB-CB 4.26Å; R29-Q418 HydrophobicContact CG-CB 4.16Å |
| 30 | I | 92.6 | Very high | 87.4 | Confident | 5 Ų | 5 | 70.4 Ų | 70.4 | 3% | 0.026 | 37% | 0.374 | C | S | . | . | trans | -55.1 | 138.4 | 169.3 | -172 | 163.7 | 0 | 0 | 0 | 110.7 | L375 Q418 L423 R428 L431 | I30-L375 HydrophobicContact CG2-CD1 3.86Å; I30-L375 HydrophobicContact CG2-CG 4.3Å; I30-Q418 HydrophobicContact CG2-CB 4.39Å; I30-Q418 PolarHBondContact N-O 2.84Å; I30-L423 HydrophobicContact CB-CD1 4.22Å; I30-L423 HydrophobicContact CD1-CD1 4.2Å; I30-L423 HydrophobicContact CG2-CD1 3.98Å; I30-R428 HydrophobicContact CD1-CB 4.07Å; I30-R428 HydrophobicContact CD1-CG 4.19Å; I30-R428 WeakPolarHBondContact CD1-O 3.36Å; I30-L431 HydrophobicContact CD1-CB 3.9Å | ||
| 31 | K | 93 | Very high | 87.5 | Confident | 54 Ų | 54 | 67.6 Ų | 67.6 | 24% | 0.235 | 36% | 0.358 | C | S | . | . | trans | -122.3 | 133.7 | 176.5 | -69.1 | 176.5 | -176 | 168.6 | 0 | 110.6 | R29 V35 T36 G373 F432 | R29-K31 PolarHBondContact O-N 2.87Å; K31-V35 HydrophobicContact CB-CG2 4.09Å; K31-V35 HydrophobicContact CD-CG2 4.45Å; K31-T36 HydrophobicContact CB-CG2 3.65Å; K31-T36 HydrophobicContact CD-CG2 4.46Å; K31-T36 PolarHBondContact O-OG1 3.4Å; K31-G373 CarbonylContact C-O 3.56Å; K31-G373 VanDerWaalsContact CA-O 3.32Å; K31-G373 WeakPolarHBondContact CA-O 3.35Å; K31-F432 WeakPolarHBondContact O-CD2 3.48Å | ||
| 32 | T | 93.6 | Very high | 87.7 | Confident | 1 Ų | 1 | 68.2 Ų | 68.2 | 1% | 0.006 | 36% | 0.364 | C | S | . | . | trans | -69.7 | 158.7 | 179.2 | 68.3 | 0 | 0 | 0 | 0 | 113.1 | D34 V35 T36 K251 G373 L375 F432 | T32-D34 PolarHBondContact O-N 3.37Å; T32-V35 PolarHBondContact O-N 3.18Å; T32-T36 PolarHBondContact O-N 3.43Å; T32-T36 PolarHBondContact O-OG1 2.93Å; T32-K251 HydrophobicContact CG2-CB 4.02Å; T32-G373 WeakPolarHBondContact CG2-O 3.49Å; T32-G373 PolarHBondContact N-O 3.48Å; T32-G373 WeakPolarHBondContact OG1-CA 3.46Å; T32-L375 HydrophobicContact CG2-CD2 3.75Å; T32-F432 WeakPolarHBondContact CA-O 3.33Å | ||
| 33 | A | 92.4 | Very high | 88.1 | Confident | 9 Ų | 9 | 60 Ų | 60 | 7% | 0.074 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -52.3 | -23.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | V35 T36 A37 K251 F432 | A33-V35 PolarHBondContact O-N 3.04Å; A33-T36 PolarHBondContact O-N 3.3Å; A33-A37 HydrophobicContact CB-CB 4.28Å; A33-A37 WeakPolarHBondContact O-CB 3.4Å; A33-A37 PolarHBondContact O-N 3.46Å; A33-A37 VanDerWaalsContact O-N 3.13Å; A33-K251 HydrophobicContact CB-CD 4.2Å; A33-F432 HydrophobicContact CB-CD1 4.14Å; A33-F432 HydrophobicContact CB-CE1 3.64Å; A33-F432 HydrophobicContact CB-CE2 4.08Å; A33-F432 HydrophobicContact CB-CZ 3.59Å; A33-F432 PolarHBondContact N-O 3.05Å |
| 34 | D | 90.6 | Very high | 88.3 | Confident | 25 Ų | 25 | 57.8 Ų | 57.8 | 13% | 0.134 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.1 | -20.7 | 177.1 | -71.8 | -28.9 | 0 | 0 | 0 | 113.1 | T32 K86 T89 L250 K251 | T32-D34 PolarHBondContact O-N 3.37Å; D34-K86 WeakPolarHBondContact OD1-CE 3.37Å; D34-K86 IonicContact OD1-NZ 3.9Å; D34-K86 PolarHBondContact OD1-NZ 3.24Å; D34-K86 IonicContact OD2-NZ 3.12Å; D34-K86 PolarHBondContact OD2-NZ 3.21Å; D34-T89 HydrophobicContact CB-CG2 4.3Å; D34-L250 HydrophobicContact CB-CD2 4.3Å; D34-L250 WeakPolarHBondContact OD2-CA 3.32Å; D34-K251 WeakPolarHBondContact OD2-CB 3.34Å; D34-K251 PolarHBondContact OD2-N 2.97Å |
| 35 | V | 89.6 | Confident | 88.6 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 4% | 0.036 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -128 | -7.3 | 177.4 | -53.7 | 0 | 0 | 0 | 0 | 115.3 | K31 T32 A33 P66 T89 F372 | K31-V35 HydrophobicContact CB-CG2 4.09Å; K31-V35 HydrophobicContact CD-CG2 4.45Å; T32-V35 PolarHBondContact O-N 3.18Å; A33-V35 PolarHBondContact O-N 3.04Å; V35-P66 WeakPolarHBondContact O-CD 3.27Å; V35-T89 HydrophobicContact CG1-CG2 4.4Å; V35-F372 HydrophobicContact CG1-CD2 4.27Å; V35-F372 WeakPolarHBondContact CG2-O 3.14Å |
| 36 | T | 87.6 | Confident | 88.9 | Confident | 54 Ų | 54 | 51 Ų | 51 | 33% | 0.331 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -119.9 | -5.1 | -176.2 | 50.1 | 0 | 0 | 0 | 0 | 114.6 | K31 T32 A33 L38 F432 | K31-T36 HydrophobicContact CB-CG2 3.65Å; K31-T36 HydrophobicContact CD-CG2 4.46Å; K31-T36 PolarHBondContact O-OG1 3.4Å; T32-T36 PolarHBondContact O-N 3.43Å; T32-T36 PolarHBondContact O-OG1 2.93Å; A33-T36 PolarHBondContact O-N 3.3Å; T36-L38 PolarHBondContact O-N 3.09Å; T36-F432 WeakPolarHBondContact OG1-CE2 3.36Å |
| 37 | A | 81.8 | Confident | 89.2 | Confident | 60 Ų | 60 | 50.3 Ų | 50.3 | 50% | 0.496 | 29% | 0.291 | S | S | . | . | trans | -75.8 | 66.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | A33 | A33-A37 HydrophobicContact CB-CB 4.28Å; A33-A37 WeakPolarHBondContact O-CB 3.4Å; A33-A37 PolarHBondContact O-N 3.46Å; A33-A37 VanDerWaalsContact O-N 3.13Å | ||
| 38 | L | 75 | Confident | 89.5 | Confident | 58 Ų | 58 | 48.3 Ų | 48.3 | 30% | 0.304 | 28% | 0.28 | S | S | . | . | trans | -84.6 | 155.6 | -173.7 | -51.4 | -174.8 | 0 | 0 | 0 | 111.7 | T36 G40 P64 P66 | T36-L38 PolarHBondContact O-N 3.09Å; L38-G40 VanDerWaalsContact C-N 3.26Å; L38-P64 WeakPolarHBondContact CD1-O 3.5Å; L38-P64 WeakPolarHBondContact CD2-O 3.32Å; L38-P66 HydrophobicContact CD2-CG 4Å | ||
| 39 | K | 76.3 | Confident | 89.7 | Confident | 172 Ų | 172 | 49.6 Ų | 49.6 | 75% | 0.748 | 28% | 0.284 | S | S | * | . | trans | -81.2 | -10.4 | 166.6 | -58.3 | 173.8 | -179.3 | 170.6 | 0 | 112.2 | E69 | K39-E69 WeakPolarHBondContact CA-OE1 3.5Å; K39-E69 WeakPolarHBondContact CB-OE1 3.46Å; K39-E69 PolarHBondContact N-OE1 3.18Å; K39-E69 VanDerWaalsContact N-OE1 3.14Å; K39-E69 PolarHBondContact N-OE2 3.04Å | ||
| 40 | G | 79.7 | Confident | 89.9 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 68% | 0.68 | 29% | 0.29 | S | S | * | . | S | Bend | trans | 105.1 | 10.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | L38 E69 | L38-G40 VanDerWaalsContact C-N 3.26Å; G40-E69 PolarHBondContact N-OE1 3.44Å; G40-E69 VanDerWaalsContact N-OE1 3.08Å |
| 41 | S | 86.7 | Confident | 90 | Very high | 41 Ų | 41 | 54.1 Ų | 54.1 | 29% | 0.287 | 31% | 0.305 | S | S | . | . | trans | -76.3 | 143.6 | 173.8 | -58.5 | 0 | 0 | 0 | 0 | 111.9 | P64 E69 | S41-P64 VanDerWaalsContact O-CD 3.25Å; S41-P64 WeakPolarHBondContact O-CD 3.5Å; S41-P64 WeakPolarHBondContact O-CG 3.34Å; S41-E69 WeakPolarHBondContact CB-OE1 3.4Å; S41-E69 PolarHBondContact N-OE1 2.97Å; S41-E69 PolarHBondContact OG-OE1 3.16Å | ||
| 42 | S | 91.7 | Very high | 90.3 | Very high | 32 Ų | 32 | 51.6 Ų | 51.6 | 22% | 0.224 | 29% | 0.294 | C | S | . | . | trans | -95.1 | 168.6 | 166.9 | 72.3 | 0 | 0 | 0 | 0 | 110.8 | E44 D45 | S42-E44 PolarHBondContact O-N 3.48Å; S42-E44 PolarHBondContact OG-N 3.05Å; S42-D45 WeakPolarHBondContact CB-OD2 3.44Å; S42-D45 PolarHBondContact N-OD2 2.84Å; S42-D45 PolarHBondContact O-N 3.39Å; S42-D45 VanDerWaalsContact OG-CG 3.23Å; S42-D45 PolarHBondContact OG-N 3.17Å; S42-D45 PolarHBondContact OG-OD2 3.04Å | ||
| 43 | F | 94.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.9 Ų | 51.9 | 0% | 0 | 30% | 0.296 | C | S | . | . | S | Bend | trans | -65 | -24.6 | 171.6 | -73.4 | -72.2 | 0 | 0 | 0 | 113.1 | D45 F46 L53 I56 W61 P64 I72 | F43-D45 VanDerWaalsContact C-N 3.32Å; F43-F46 HydrophobicContact CD1-CD2 4.09Å; F43-F46 AromaticContact CD1-CE2 3.95Å; F43-F46 HydrophobicContact CD1-CE2 3.95Å; F43-F46 HydrophobicContact CE1-CE2 4.47Å; F43-F46 PolarHBondContact O-N 3.21Å; F43-L53 HydrophobicContact CB-CD2 3.88Å; F43-I56 HydrophobicContact CD1-CD1 4.01Å; F43-I56 HydrophobicContact CD1-CG2 4.31Å; F43-I56 HydrophobicContact CD2-CG2 3.56Å; F43-I56 HydrophobicContact CE1-CD1 4.45Å; F43-I56 HydrophobicContact CE1-CG2 4.42Å; F43-I56 HydrophobicContact CE2-CG2 3.69Å; F43-I56 HydrophobicContact CG-CD1 4.28Å; F43-I56 HydrophobicContact CG-CG2 3.89Å; F43-I56 HydrophobicContact CZ-CG2 4.13Å; F43-W61 HydrophobicContact CE2-CB 3.92Å; F43-W61 HydrophobicContact CZ-CB 4.31Å; F43-W61 HydrophobicContact CZ-CE3 4.39Å; F43-P64 HydrophobicContact CD1-CB 4.28Å; F43-P64 HydrophobicContact CE1-CB 3.82Å; F43-P64 HydrophobicContact CE2-CB 4.31Å; F43-P64 HydrophobicContact CZ-CB 3.84Å; F43-I72 HydrophobicContact CD1-CD1 4.44Å; F43-I72 HydrophobicContact CE1-CD1 3.99Å |
| 44 | E | 92.8 | Very high | 90.6 | Very high | 59 Ų | 59 | 53.8 Ų | 53.8 | 28% | 0.276 | 30% | 0.302 | S | S | . | . | G | 310 helix | trans | -72.1 | -30 | -179.9 | -60.9 | -174.3 | 146.7 | 0 | 0 | 111.6 | K18 S42 F46 C47 L53 Y57 | K18-E44 WeakPolarHBondContact CE-OE1 3.4Å; K18-E44 IonicContact NZ-OE1 3.74Å; K18-E44 PolarHBondContact NZ-OE1 3.47Å; K18-E44 IonicContact NZ-OE2 2.81Å; K18-E44 PolarHBondContact NZ-OE2 3.49Å; S42-E44 PolarHBondContact O-N 3.48Å; S42-E44 PolarHBondContact OG-N 3.05Å; E44-F46 PolarHBondContact O-N 2.98Å; E44-F46 VanDerWaalsContact O-N 3.14Å; E44-C47 PolarHBondContact O-N 3.49Å; E44-C47 VanDerWaalsContact O-N 3.09Å; E44-L53 HydrophobicContact CG-CD1 4.27Å; E44-L53 HydrophobicContact CG-CD2 4.23Å; E44-Y57 HydrophobicContact CG-CE2 4.47Å; E44-Y57 WeakPolarHBondContact CG-OH 3.27Å |
| 45 | D | 93.7 | Very high | 90.9 | Very high | 100 Ų | 100 | 52.7 Ų | 52.7 | 54% | 0.535 | 30% | 0.297 | S | S | . | . | G | 310 helix | trans | -66 | -14.5 | 176.3 | -59.3 | -44.8 | 0 | 0 | 0 | 112.7 | S42 F43 C47 | S42-D45 WeakPolarHBondContact CB-OD2 3.44Å; S42-D45 PolarHBondContact N-OD2 2.84Å; S42-D45 PolarHBondContact O-N 3.39Å; S42-D45 VanDerWaalsContact OG-CG 3.23Å; S42-D45 PolarHBondContact OG-N 3.17Å; S42-D45 PolarHBondContact OG-OD2 3.04Å; F43-D45 VanDerWaalsContact C-N 3.32Å; D45-C47 VanDerWaalsContact C-N 3.29Å |
| 46 | F | 94.6 | Very high | 91.3 | Very high | 18 Ų | 18 | 52.4 Ų | 52.4 | 8% | 0.079 | 30% | 0.295 | C | S | . | . | G | 310 helix | trans | -86.4 | 2.9 | 176.5 | -52.4 | -27.1 | 0 | 0 | 0 | 113.5 | F43 E44 L48 P64 I72 P73 L76 | F43-F46 HydrophobicContact CD1-CD2 4.09Å; F43-F46 AromaticContact CD1-CE2 3.95Å; F43-F46 HydrophobicContact CD1-CE2 3.95Å; F43-F46 HydrophobicContact CE1-CE2 4.47Å; F43-F46 PolarHBondContact O-N 3.21Å; E44-F46 PolarHBondContact O-N 2.98Å; E44-F46 VanDerWaalsContact O-N 3.14Å; F46-L48 VanDerWaalsContact C-N 3.26Å; F46-L48 HydrophobicContact CB-CD1 4.4Å; F46-L48 HydrophobicContact CB-CD2 4.31Å; F46-L48 HydrophobicContact CB-CG 3.99Å; F46-L48 PolarHBondContact O-N 3.5Å; F46-P64 HydrophobicContact CE2-CB 3.96Å; F46-P64 HydrophobicContact CE2-CG 3.99Å; F46-P64 HydrophobicContact CZ-CB 4.11Å; F46-P64 HydrophobicContact CZ-CG 3.82Å; F46-I72 HydrophobicContact CB-CG2 4.3Å; F46-I72 HydrophobicContact CD2-CB 4.13Å; F46-I72 HydrophobicContact CD2-CD1 4.3Å; F46-I72 HydrophobicContact CD2-CG2 3.64Å; F46-I72 HydrophobicContact CE2-CB 4.18Å; F46-I72 HydrophobicContact CE2-CD1 4.05Å; F46-I72 HydrophobicContact CE2-CG2 4.21Å; F46-I72 HydrophobicContact CG-CG2 4.07Å; F46-P73 HydrophobicContact CD1-CG 3.67Å; F46-P73 HydrophobicContact CE1-CG 3.65Å; F46-P73 HydrophobicContact CG-CG 4.45Å; F46-P73 HydrophobicContact CZ-CG 4.4Å; F46-L76 HydrophobicContact CB-CD1 4.28Å |
| 47 | C | 92.8 | Very high | 91.6 | Very high | 117 Ų | 117 | 51.4 Ų | 51.4 | 79% | 0.791 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 54.3 | 37.2 | 178.7 | -57.3 | 0 | 0 | 0 | 0 | 114.1 | E44 D45 | E44-C47 PolarHBondContact O-N 3.49Å; E44-C47 VanDerWaalsContact O-N 3.09Å; D45-C47 VanDerWaalsContact C-N 3.29Å |
| 48 | L | 96.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 50.3 Ų | 50.3 | 6% | 0.063 | 27% | 0.27 | C | S | . | . | trans | -69.8 | 153.7 | 179.8 | -59 | 172.7 | 0 | 0 | 0 | 111.9 | F46 R50 I52 L53 I56 L76 V97 E101 | F46-L48 VanDerWaalsContact C-N 3.26Å; F46-L48 HydrophobicContact CB-CD1 4.4Å; F46-L48 HydrophobicContact CB-CD2 4.31Å; F46-L48 HydrophobicContact CB-CG 3.99Å; F46-L48 PolarHBondContact O-N 3.5Å; L48-R50 PolarHBondContact O-N 3.02Å; L48-I52 HydrophobicContact CD1-CG2 4.48Å; L48-L53 HydrophobicContact CB-CD2 4.12Å; L48-L53 HydrophobicContact CB-CG 4.01Å; L48-L53 HydrophobicContact CD1-CD2 4Å; L48-I56 HydrophobicContact CD1-CD1 3.75Å; L48-L76 HydrophobicContact CD2-CD1 3.89Å; L48-L76 HydrophobicContact CD2-CD2 4.34Å; L48-V97 HydrophobicContact CD1-CG1 3.57Å; L48-V97 HydrophobicContact CD2-CG1 3.82Å; L48-V97 HydrophobicContact CG-CG1 4.37Å; L48-E101 HydrophobicContact CD2-CB 4.21Å; L48-E101 HydrophobicContact CD2-CG 3.96Å | ||
| 49 | K | 96.1 | Very high | 93.1 | Very high | 100 Ų | 100 | 50.7 Ų | 50.7 | 44% | 0.435 | 27% | 0.269 | S | S | . | . | trans | -54.2 | 140 | 169.4 | -76.4 | 157.7 | -171.3 | 167.1 | 0 | 110 | D51 I52 L53 E101 I103 | K49-D51 PolarHBondContact O-N 3.48Å; K49-D51 VanDerWaalsContact O-N 3.14Å; K49-I52 HydrophobicContact CB-CG1 4.19Å; K49-I52 WeakPolarHBondContact O-CB 3.48Å; K49-I52 PolarHBondContact O-N 3.16Å; K49-L53 PolarHBondContact O-N 3.43Å; K49-L53 VanDerWaalsContact O-N 3.14Å; K49-E101 WeakPolarHBondContact CB-OE2 3.29Å; K49-E101 WeakPolarHBondContact CD-OE1 3.36Å; K49-E101 WeakPolarHBondContact CE-OE1 3.4Å; K49-E101 WeakPolarHBondContact CG-OE1 3.28Å; K49-E101 PolarHBondContact N-OE2 2.87Å; K49-E101 PolarHBondContact NZ-O 2.88Å; K49-E101 IonicContact NZ-OE1 3.23Å; K49-I103 PolarHBondContact NZ-O 3.09Å | ||
| 50 | R | 95.5 | Very high | 93.8 | Very high | 88 Ų | 88 | 44.1 Ų | 44.1 | 33% | 0.332 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -53.6 | -40 | -179.4 | -174 | 67 | 78.1 | -171 | 10.6 | 112.4 | N14 L48 I52 L53 K54 | N14-R50 PolarHBondContact OD1-NH2 3.36Å; L48-R50 PolarHBondContact O-N 3.02Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.35Å; R50-L53 PolarHBondContact O-N 3.1Å; R50-K54 WeakPolarHBondContact O-CG 3.25Å; R50-K54 PolarHBondContact O-N 2.87Å |
| 51 | D | 96.6 | Very high | 94.4 | Very high | 65 Ų | 65 | 42.9 Ų | 42.9 | 35% | 0.348 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -67.4 | -31.2 | -179 | -64.5 | -29.5 | 0 | 0 | 0 | 113.1 | K49 K54 G55 H135 T136 | K49-D51 PolarHBondContact O-N 3.48Å; K49-D51 VanDerWaalsContact O-N 3.14Å; D51-K54 IonicContact OD1-NZ 3.59Å; D51-G55 PolarHBondContact O-N 3.42Å; D51-H135 HydrophobicContact CB-CB 3.79Å; D51-H135 WeakPolarHBondContact CB-O 3.29Å; D51-T136 HydrophobicContact CB-CG2 3.83Å |
| 52 | I | 97.6 | Very high | 94.5 | Very high | 1 Ų | 1 | 45.8 Ų | 45.8 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70.8 | -43.8 | 172.7 | -60.2 | -62.4 | 0 | 0 | 0 | 110.1 | L48 K49 R50 K54 G55 I56 V97 L100 T136 | L48-I52 HydrophobicContact CD1-CG2 4.48Å; K49-I52 HydrophobicContact CB-CG1 4.19Å; K49-I52 WeakPolarHBondContact O-CB 3.48Å; K49-I52 PolarHBondContact O-N 3.16Å; R50-I52 VanDerWaalsContact C-N 3.31Å; R50-I52 PolarHBondContact O-N 3.35Å; I52-K54 VanDerWaalsContact C-N 3.32Å; I52-K54 PolarHBondContact O-N 3.28Å; I52-G55 PolarHBondContact O-N 3.41Å; I52-G55 VanDerWaalsContact O-N 3.1Å; I52-I56 HydrophobicContact CG2-CD1 3.93Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 3.46Å; I52-V97 HydrophobicContact CG2-CG1 4.39Å; I52-L100 HydrophobicContact CD1-CB 3.83Å; I52-T136 HydrophobicContact CD1-CG2 3.64Å; I52-T136 HydrophobicContact CG1-CG2 4.38Å |
| 53 | L | 96.9 | Very high | 94.5 | Very high | 7 Ų | 7 | 47.1 Ų | 47.1 | 4% | 0.037 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59.2 | -41.4 | 175.9 | -69.2 | 170.2 | 0 | 0 | 0 | 112.3 | W17 F43 E44 L48 K49 R50 G55 I56 Y57 | W17-L53 HydrophobicContact CH2-CB 3.81Å; F43-L53 HydrophobicContact CB-CD2 3.88Å; E44-L53 HydrophobicContact CG-CD1 4.27Å; E44-L53 HydrophobicContact CG-CD2 4.23Å; L48-L53 HydrophobicContact CB-CD2 4.12Å; L48-L53 HydrophobicContact CB-CG 4.01Å; L48-L53 HydrophobicContact CD1-CD2 4Å; K49-L53 PolarHBondContact O-N 3.43Å; K49-L53 VanDerWaalsContact O-N 3.14Å; R50-L53 PolarHBondContact O-N 3.1Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.18Å; L53-I56 PolarHBondContact O-N 2.99Å; L53-Y57 HydrophobicContact CB-CE2 4.44Å; L53-Y57 WeakPolarHBondContact O-CD2 3.45Å; L53-Y57 PolarHBondContact O-N 3.24Å |
| 54 | K | 96.5 | Very high | 94.5 | Very high | 49 Ų | 49 | 47.1 Ų | 47.1 | 21% | 0.213 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -56.3 | -47.3 | 172.5 | -68.2 | 177.1 | 175.1 | 170.1 | 0 | 111.4 | W17 L21 R50 D51 I52 Y57 E58 H135 | W17-K54 HydrophobicContact CE3-CD 4.47Å; W17-K54 HydrophobicContact CE3-CG 3.58Å; W17-K54 HydrophobicContact CZ3-CB 4.22Å; W17-K54 HydrophobicContact CZ3-CG 3.43Å; W17-K54 VanDerWaalsContact CZ3-CG 3.43Å; L21-K54 HydrophobicContact CD2-CB 3.97Å; L21-K54 HydrophobicContact CD2-CG 3.89Å; R50-K54 WeakPolarHBondContact O-CG 3.25Å; R50-K54 PolarHBondContact O-N 2.87Å; D51-K54 IonicContact OD1-NZ 3.59Å; I52-K54 VanDerWaalsContact C-N 3.32Å; I52-K54 PolarHBondContact O-N 3.28Å; K54-Y57 PolarHBondContact O-N 3Å; K54-E58 WeakPolarHBondContact O-CB 3.32Å; K54-E58 WeakPolarHBondContact O-CG 3.44Å; K54-E58 PolarHBondContact O-N 3.38Å; K54-H135 HydrophobicContact CB-CB 4.41Å; K54-H135 VanDerWaalsContact CB-CD2 3.46Å; K54-H135 WeakPolarHBondContact CB-CD2 3.42Å; K54-H135 HydrophobicContact CD-CB 4.33Å |
| 55 | G | 96.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.01 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -62.3 | -42.3 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | D51 I52 L53 K59 | D51-G55 PolarHBondContact O-N 3.42Å; I52-G55 PolarHBondContact O-N 3.41Å; I52-G55 VanDerWaalsContact O-N 3.1Å; L53-G55 VanDerWaalsContact C-N 3.33Å; L53-G55 PolarHBondContact O-N 3.18Å; G55-K59 WeakPolarHBondContact O-CB 3.47Å; G55-K59 PolarHBondContact O-N 3.04Å |
| 56 | I | 96.9 | Very high | 94.7 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.3 | -49.8 | 176.5 | -70.7 | 170.1 | 0 | 0 | 0 | 111 | F43 L48 I52 L53 K59 G60 W61 V97 L132 | F43-I56 HydrophobicContact CD1-CD1 4.01Å; F43-I56 HydrophobicContact CD1-CG2 4.31Å; F43-I56 HydrophobicContact CD2-CG2 3.56Å; F43-I56 HydrophobicContact CE1-CD1 4.45Å; F43-I56 HydrophobicContact CE1-CG2 4.42Å; F43-I56 HydrophobicContact CE2-CG2 3.69Å; F43-I56 HydrophobicContact CG-CD1 4.28Å; F43-I56 HydrophobicContact CG-CG2 3.89Å; F43-I56 HydrophobicContact CZ-CG2 4.13Å; L48-I56 HydrophobicContact CD1-CD1 3.75Å; I52-I56 HydrophobicContact CG2-CD1 3.93Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 WeakPolarHBondContact O-CG1 3.35Å; I52-I56 PolarHBondContact O-N 3.46Å; L53-I56 PolarHBondContact O-N 2.99Å; I56-K59 WeakPolarHBondContact O-CB 3.22Å; I56-K59 PolarHBondContact O-N 2.79Å; I56-G60 PolarHBondContact O-N 2.84Å; I56-W61 HydrophobicContact CG2-CB 3.79Å; I56-W61 HydrophobicContact CG2-CE3 4.38Å; I56-W61 PolarHBondContact O-N 2.72Å; I56-W61 VanDerWaalsContact O-N 3.14Å; I56-V97 HydrophobicContact CD1-CG1 4.17Å; I56-V97 HydrophobicContact CD1-CG2 3.9Å; I56-V97 HydrophobicContact CG1-CG2 4.26Å; I56-L132 HydrophobicContact CB-CD2 4.43Å; I56-L132 HydrophobicContact CG1-CD2 3.8Å |
| 57 | Y | 95.4 | Very high | 94.7 | Very high | 33 Ų | 33 | 39.5 Ų | 39.5 | 13% | 0.129 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -73.9 | -38.6 | -177 | -69.4 | -49.5 | 0 | 0 | 0 | 113.4 | W17 L21 L23 E44 L53 K54 K59 G60 W61 | W17-Y57 AromaticContact CH2-CD2 3.66Å; W17-Y57 HydrophobicContact CH2-CD2 3.66Å; W17-Y57 AromaticContact CH2-CE2 3.8Å; W17-Y57 HydrophobicContact CH2-CE2 3.8Å; W17-Y57 HydrophobicContact CZ2-CE2 4.34Å; W17-Y57 HydrophobicContact CZ3-CD2 4.28Å; L21-Y57 HydrophobicContact CD1-CD2 4.24Å; L21-Y57 HydrophobicContact CD1-CG 4.42Å; L23-Y57 WeakPolarHBondContact CD2-O 3.28Å; E44-Y57 HydrophobicContact CG-CE2 4.47Å; E44-Y57 WeakPolarHBondContact CG-OH 3.27Å; L53-Y57 HydrophobicContact CB-CE2 4.44Å; L53-Y57 WeakPolarHBondContact O-CD2 3.45Å; L53-Y57 PolarHBondContact O-N 3.24Å; K54-Y57 PolarHBondContact O-N 3Å; Y57-K59 PolarHBondContact O-N 2.82Å; Y57-G60 WeakPolarHBondContact O-CA 3.14Å; Y57-G60 PolarHBondContact O-N 3.29Å; Y57-W61 WeakPolarHBondContact CD1-O 3.26Å |
| 58 | E | 95.1 | Very high | 94.9 | Very high | 37 Ų | 37 | 34 Ų | 34 | 17% | 0.173 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -63.7 | -25.4 | 172.2 | -73 | -171.1 | 162.7 | 0 | 0 | 112.3 | L21 K54 G60 K134 H135 | L21-E58 HydrophobicContact CB-CG 4.45Å; L21-E58 HydrophobicContact CD2-CG 4.12Å; K54-E58 WeakPolarHBondContact O-CB 3.32Å; K54-E58 WeakPolarHBondContact O-CG 3.44Å; K54-E58 PolarHBondContact O-N 3.38Å; E58-G60 PolarHBondContact O-N 2.74Å; E58-K134 IonicContact OE1-NZ 2.8Å; E58-K134 IonicContact OE2-NZ 2.94Å; E58-K134 PolarHBondContact OE2-NZ 2.81Å; E58-H135 IonicContact OE1-CE1 3.6Å; E58-H135 IonicContact OE1-NE2 3.11Å; E58-H135 PolarHBondContact OE1-NE2 3.19Å; E58-H135 IonicContact OE2-CD2 3.83Å; E58-H135 IonicContact OE2-CE1 3.6Å; E58-H135 IonicContact OE2-NE2 3.6Å; E58-H135 PolarHBondContact OE2-NE2 3.35Å |
| 59 | K | 93.1 | Very high | 94.9 | Very high | 67 Ų | 67 | 34 Ų | 34 | 29% | 0.291 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73 | -16.1 | 171.3 | -172.1 | 58.3 | -175.3 | 173.1 | 0 | 112.9 | G55 I56 Y57 W61 E131 | G55-K59 WeakPolarHBondContact O-CB 3.47Å; G55-K59 PolarHBondContact O-N 3.04Å; I56-K59 WeakPolarHBondContact O-CB 3.22Å; I56-K59 PolarHBondContact O-N 2.79Å; Y57-K59 PolarHBondContact O-N 2.82Å; K59-W61 HydrophobicContact CG-CD2 4.37Å; K59-W61 HydrophobicContact CG-CZ2 4.31Å; K59-E131 HydrophobicContact CD-CB 4.31Å; K59-E131 VanDerWaalsContact CD-OE2 3.29Å; K59-E131 WeakPolarHBondContact CD-OE2 3.39Å; K59-E131 WeakPolarHBondContact CE-OE2 3.49Å; K59-E131 IonicContact NZ-OE1 2.74Å; K59-E131 PolarHBondContact NZ-OE1 2.99Å; K59-E131 IonicContact NZ-OE2 3.87Å; K59-E131 PolarHBondContact NZ-OE2 2.96Å |
| 60 | G | 91.2 | Very high | 94.8 | Very high | 33 Ų | 33 | 30.2 Ų | 30.2 | 34% | 0.34 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 91.3 | 17.6 | -178 | 0 | 0 | 0 | 0 | 0 | 114.5 | I56 Y57 E58 E62 | I56-G60 PolarHBondContact O-N 2.84Å; Y57-G60 WeakPolarHBondContact O-CA 3.14Å; Y57-G60 PolarHBondContact O-N 3.29Å; E58-G60 PolarHBondContact O-N 2.74Å; G60-E62 PolarHBondContact O-N 3.17Å |
| 61 | W | 92.4 | Very high | 94.9 | Very high | 41 Ų | 41 | 26 Ų | 26 | 16% | 0.155 | 14% | 0.139 | C | C | . | . | trans | -88.1 | 93.3 | 177.4 | -64.8 | -4.1 | 0 | 0 | 0 | 110.2 | F43 I56 Y57 K59 G93 V97 I128 L132 | F43-W61 HydrophobicContact CE2-CB 3.92Å; F43-W61 HydrophobicContact CZ-CB 4.31Å; F43-W61 HydrophobicContact CZ-CE3 4.39Å; I56-W61 HydrophobicContact CG2-CB 3.79Å; I56-W61 HydrophobicContact CG2-CE3 4.38Å; I56-W61 PolarHBondContact O-N 2.72Å; I56-W61 VanDerWaalsContact O-N 3.14Å; Y57-W61 WeakPolarHBondContact CD1-O 3.26Å; K59-W61 HydrophobicContact CG-CD2 4.37Å; K59-W61 HydrophobicContact CG-CZ2 4.31Å; W61-G93 VanDerWaalsContact CH2-CA 3.49Å; W61-V97 HydrophobicContact CZ3-CG2 4.39Å; W61-I128 HydrophobicContact CH2-CG2 3.81Å; W61-I128 HydrophobicContact CZ2-CG2 4.12Å; W61-L132 HydrophobicContact CE3-CD2 4.02Å; W61-L132 HydrophobicContact CH2-CD1 3.89Å; W61-L132 HydrophobicContact CH2-CD2 4.18Å; W61-L132 HydrophobicContact CH2-CG 4.43Å; W61-L132 HydrophobicContact CZ3-CD1 3.76Å; W61-L132 HydrophobicContact CZ3-CD2 3.71Å; W61-L132 HydrophobicContact CZ3-CG 4.28Å | ||
| 62 | E | 88.1 | Confident | 94.9 | Very high | 101 Ų | 101 | 22.9 Ų | 22.9 | 47% | 0.472 | 12% | 0.122 | S | C | . | . | trans | -72.1 | -38.3 | -177.7 | -62 | -175.7 | 172.5 | 0 | 0 | 113 | K26 G60 | K26-E62 WeakPolarHBondContact CE-OE2 3.34Å; K26-E62 WeakPolarHBondContact CG-OE1 3.33Å; K26-E62 IonicContact NZ-OE2 3.9Å; G60-E62 PolarHBondContact O-N 3.17Å | ||
| 63 | S | 91.5 | Very high | 94.9 | Very high | 60 Ų | 60 | 25.1 Ų | 25.1 | 42% | 0.42 | 14% | 0.137 | S | C | . | . | S | Bend | trans | -145.2 | 147.4 | -176.9 | -57.8 | 0 | 0 | 0 | 0 | 110.8 | ||
| 64 | P | 95.1 | Very high | 94.9 | Very high | 1 Ų | 1 | 26.8 Ų | 26.8 | 1% | 0.006 | 15% | 0.145 | C | C | . | . | trans | -67.6 | 136.6 | 178.1 | 28.5 | -34 | 0 | 0 | 0 | 110.3 | L38 S41 F43 F46 Q68 E69 | L38-P64 WeakPolarHBondContact CD1-O 3.5Å; L38-P64 WeakPolarHBondContact CD2-O 3.32Å; S41-P64 VanDerWaalsContact O-CD 3.25Å; S41-P64 WeakPolarHBondContact O-CD 3.5Å; S41-P64 WeakPolarHBondContact O-CG 3.34Å; F43-P64 HydrophobicContact CD1-CB 4.28Å; F43-P64 HydrophobicContact CE1-CB 3.82Å; F43-P64 HydrophobicContact CE2-CB 4.31Å; F43-P64 HydrophobicContact CZ-CB 3.84Å; F46-P64 HydrophobicContact CE2-CB 3.96Å; F46-P64 HydrophobicContact CE2-CG 3.99Å; F46-P64 HydrophobicContact CZ-CB 4.11Å; F46-P64 HydrophobicContact CZ-CG 3.82Å; P64-Q68 HydrophobicContact CB-CB 3.76Å; P64-E69 HydrophobicContact CB-CB 4.28Å; P64-E69 HydrophobicContact CG-CB 4.28Å | ||
| 65 | S | 94.6 | Very high | 95 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | -64.7 | 163.7 | 166 | 59 | 0 | 0 | 0 | 0 | 111.6 | I67 Q68 E69 T89 | S65-I67 PolarHBondContact O-N 2.98Å; S65-I67 VanDerWaalsContact O-N 3.08Å; S65-I67 WeakPolarHBondContact OG-CG2 3.33Å; S65-Q68 CarbonylContact O-C 3.58Å; S65-Q68 WeakPolarHBondContact O-CA 3.16Å; S65-Q68 WeakPolarHBondContact O-CB 3.48Å; S65-Q68 PolarHBondContact O-N 3.22Å; S65-Q68 VanDerWaalsContact OG-CG 3.27Å; S65-Q68 WeakPolarHBondContact OG-CG 3.41Å; S65-Q68 PolarHBondContact OG-OE1 2.86Å; S65-Q68 VanDerWaalsContact OG-OE1 3.08Å; S65-E69 PolarHBondContact O-N 3.03Å; S65-T89 VanDerWaalsContact CB-O 3.24Å; S65-T89 WeakPolarHBondContact CB-O 3.35Å; S65-T89 PolarHBondContact OG-O 2.7Å | ||
| 66 | P | 94.6 | Very high | 95 | Very high | 16 Ų | 16 | 26.5 Ų | 26.5 | 10% | 0.104 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -54.2 | -34.8 | 179.6 | -29.1 | 36.5 | 0 | 0 | 0 | 114 | V35 L38 S70 L244 | V35-P66 WeakPolarHBondContact O-CD 3.27Å; L38-P66 HydrophobicContact CD2-CG 4Å; P66-S70 WeakPolarHBondContact O-CB 3.43Å; P66-S70 PolarHBondContact O-N 2.9Å; P66-S70 PolarHBondContact O-OG 3.04Å; P66-L244 VanDerWaalsContact C-CD1 3.49Å; P66-L244 HydrophobicContact CB-CD1 4.03Å |
| 67 | I | 95.4 | Very high | 95 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.1 | -38.9 | 176.2 | -172.5 | 55.2 | 0 | 0 | 0 | 112.2 | S65 S71 A83 A85 T89 K91 A94 Y220 I242 L244 | S65-I67 PolarHBondContact O-N 2.98Å; S65-I67 VanDerWaalsContact O-N 3.08Å; S65-I67 WeakPolarHBondContact OG-CG2 3.33Å; I67-S71 VanDerWaalsContact O-CB 3.28Å; I67-S71 WeakPolarHBondContact O-CB 3.45Å; I67-S71 PolarHBondContact O-N 2.86Å; I67-S71 PolarHBondContact O-OG 3.48Å; I67-A83 HydrophobicContact CD1-CB 3.86Å; I67-A85 HydrophobicContact CB-CB 4.06Å; I67-A85 HydrophobicContact CD1-CB 3.93Å; I67-A85 HydrophobicContact CG1-CB 3.81Å; I67-T89 WeakPolarHBondContact CG2-O 3.09Å; I67-K91 HydrophobicContact CG1-CG 4.43Å; I67-A94 HydrophobicContact CG1-CB 4.14Å; I67-A94 HydrophobicContact CG2-CB 4.38Å; I67-Y220 HydrophobicContact CD1-CE1 4.32Å; I67-Y220 HydrophobicContact CG1-CE1 4.24Å; I67-I242 HydrophobicContact CD1-CG2 4.01Å; I67-L244 HydrophobicContact CB-CD1 3.74Å; I67-L244 HydrophobicContact CD1-CD1 3.85Å; I67-L244 HydrophobicContact CG1-CD1 4.39Å |
| 68 | Q | 96.8 | Very high | 95 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -67 | -47.7 | 175.2 | -71.7 | 164.3 | -12.6 | 0 | 0 | 110.6 | P64 S65 S70 S71 I72 G90 A94 | P64-Q68 HydrophobicContact CB-CB 3.76Å; S65-Q68 CarbonylContact O-C 3.58Å; S65-Q68 WeakPolarHBondContact O-CA 3.16Å; S65-Q68 WeakPolarHBondContact O-CB 3.48Å; S65-Q68 PolarHBondContact O-N 3.22Å; S65-Q68 VanDerWaalsContact OG-CG 3.27Å; S65-Q68 WeakPolarHBondContact OG-CG 3.41Å; S65-Q68 PolarHBondContact OG-OE1 2.86Å; S65-Q68 VanDerWaalsContact OG-OE1 3.08Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.19Å; Q68-S71 PolarHBondContact O-N 3.28Å; Q68-I72 HydrophobicContact CB-CD1 3.71Å; Q68-I72 HydrophobicContact CB-CG1 4.38Å; Q68-I72 HydrophobicContact CG-CD1 4.21Å; Q68-I72 VanDerWaalsContact O-CB 3.23Å; Q68-I72 WeakPolarHBondContact O-CB 3.44Å; Q68-I72 WeakPolarHBondContact O-CG1 3.43Å; Q68-I72 PolarHBondContact O-N 3.25Å; Q68-G90 PolarHBondContact NE2-O 2.49Å; Q68-A94 HydrophobicContact CB-CB 4.44Å; Q68-A94 HydrophobicContact CG-CB 3.76Å |
| 69 | E | 95.8 | Very high | 95.1 | Very high | 12 Ų | 12 | 37 Ų | 37 | 6% | 0.056 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 178 | -174.6 | 178.5 | -137.4 | 0 | 0 | 112.3 | K39 G40 S41 P64 S65 P73 | K39-E69 WeakPolarHBondContact CA-OE1 3.5Å; K39-E69 WeakPolarHBondContact CB-OE1 3.46Å; K39-E69 PolarHBondContact N-OE1 3.18Å; K39-E69 VanDerWaalsContact N-OE1 3.14Å; K39-E69 PolarHBondContact N-OE2 3.04Å; G40-E69 PolarHBondContact N-OE1 3.44Å; G40-E69 VanDerWaalsContact N-OE1 3.08Å; S41-E69 WeakPolarHBondContact CB-OE1 3.4Å; S41-E69 PolarHBondContact N-OE1 2.97Å; S41-E69 PolarHBondContact OG-OE1 3.16Å; P64-E69 HydrophobicContact CB-CB 4.28Å; P64-E69 HydrophobicContact CG-CB 4.28Å; S65-E69 PolarHBondContact O-N 3.03Å; E69-P73 VanDerWaalsContact O-CD 3.29Å; E69-P73 WeakPolarHBondContact O-CD 3.45Å |
| 70 | S | 94.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 34 Ų | 34 | 14% | 0.14 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -78.6 | -31.5 | 180 | -59.3 | 0 | 0 | 0 | 0 | 113.4 | P66 Q68 I242 | P66-S70 WeakPolarHBondContact O-CB 3.43Å; P66-S70 PolarHBondContact O-N 2.9Å; P66-S70 PolarHBondContact O-OG 3.04Å; Q68-S70 VanDerWaalsContact C-N 3.31Å; Q68-S70 PolarHBondContact O-N 3.19Å; S70-I242 WeakPolarHBondContact O-CD1 3.17Å |
| 71 | S | 97.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 32.4 Ų | 32.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -100.8 | -35.5 | -173 | 82.5 | 0 | 0 | 0 | 0 | 114.6 | I67 Q68 I74 A75 I81 A94 Y220 | I67-S71 VanDerWaalsContact O-CB 3.28Å; I67-S71 WeakPolarHBondContact O-CB 3.45Å; I67-S71 PolarHBondContact O-N 2.86Å; I67-S71 PolarHBondContact O-OG 3.48Å; Q68-S71 PolarHBondContact O-N 3.28Å; S71-I74 PolarHBondContact O-N 2.91Å; S71-A75 VanDerWaalsContact O-CB 3.31Å; S71-A75 WeakPolarHBondContact O-CB 3.32Å; S71-A75 PolarHBondContact O-N 3.38Å; S71-I81 WeakPolarHBondContact O-CD1 3.44Å; S71-A94 WeakPolarHBondContact OG-CB 3.32Å; S71-A94 PolarHBondContact OG-O 3.07Å; S71-Y220 WeakPolarHBondContact CB-OH 3.47Å; S71-Y220 PolarHBondContact OG-OH 3.04Å |
| 72 | I | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 31 Ų | 31 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -59.8 | -51.7 | -172.6 | -67.5 | 171.4 | 0 | 0 | 0 | 111.2 | F43 F46 Q68 I74 A75 L76 V97 | F43-I72 HydrophobicContact CD1-CD1 4.44Å; F43-I72 HydrophobicContact CE1-CD1 3.99Å; F46-I72 HydrophobicContact CB-CG2 4.3Å; F46-I72 HydrophobicContact CD2-CB 4.13Å; F46-I72 HydrophobicContact CD2-CD1 4.3Å; F46-I72 HydrophobicContact CD2-CG2 3.64Å; F46-I72 HydrophobicContact CE2-CB 4.18Å; F46-I72 HydrophobicContact CE2-CD1 4.05Å; F46-I72 HydrophobicContact CE2-CG2 4.21Å; F46-I72 HydrophobicContact CG-CG2 4.07Å; Q68-I72 HydrophobicContact CB-CD1 3.71Å; Q68-I72 HydrophobicContact CB-CG1 4.38Å; Q68-I72 HydrophobicContact CG-CD1 4.21Å; Q68-I72 VanDerWaalsContact O-CB 3.23Å; Q68-I72 WeakPolarHBondContact O-CB 3.44Å; Q68-I72 WeakPolarHBondContact O-CG1 3.43Å; Q68-I72 PolarHBondContact O-N 3.25Å; I72-I74 VanDerWaalsContact C-N 3.27Å; I72-I74 PolarHBondContact O-N 3.49Å; I72-A75 PolarHBondContact O-N 3.04Å; I72-A75 VanDerWaalsContact O-N 3.14Å; I72-L76 HydrophobicContact CG2-CD1 3.94Å; I72-L76 HydrophobicContact CG2-CG 4.33Å; I72-L76 WeakPolarHBondContact O-CG 3.46Å; I72-L76 PolarHBondContact O-N 3.07Å; I72-V97 HydrophobicContact CD1-CB 4.14Å; I72-V97 HydrophobicContact CD1-CG1 4.24Å; I72-V97 HydrophobicContact CD1-CG2 4.47Å; I72-V97 HydrophobicContact CG2-CG1 4.23Å |
| 73 | P | 96.6 | Very high | 96.4 | Very high | 48 Ų | 48 | 26.2 Ų | 26.2 | 31% | 0.312 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.2 | -40.7 | -179.8 | -25.2 | 35.2 | 0 | 0 | 0 | 112.6 | F46 E69 L76 T77 | F46-P73 HydrophobicContact CD1-CG 3.67Å; F46-P73 HydrophobicContact CE1-CG 3.65Å; F46-P73 HydrophobicContact CG-CG 4.45Å; F46-P73 HydrophobicContact CZ-CG 4.4Å; E69-P73 VanDerWaalsContact O-CD 3.29Å; E69-P73 WeakPolarHBondContact O-CD 3.45Å; P73-L76 PolarHBondContact O-N 3.39Å; P73-T77 WeakPolarHBondContact O-CG2 3.36Å; P73-T77 PolarHBondContact O-N 3.19Å |
| 74 | I | 96.7 | Very high | 96.5 | Very high | 42 Ų | 42 | 26.2 Ų | 26.2 | 22% | 0.215 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -69.3 | -40.4 | 179.6 | -54 | -58.5 | 0 | 0 | 0 | 110.9 | S71 I72 L76 T77 R79 I81 Y240 | S71-I74 PolarHBondContact O-N 2.91Å; I72-I74 VanDerWaalsContact C-N 3.27Å; I72-I74 PolarHBondContact O-N 3.49Å; I74-L76 VanDerWaalsContact C-N 3.28Å; I74-L76 PolarHBondContact O-N 2.92Å; I74-T77 WeakPolarHBondContact O-CB 3.37Å; I74-T77 PolarHBondContact O-N 2.96Å; I74-T77 PolarHBondContact O-OG1 2.98Å; I74-R79 HydrophobicContact CG2-CB 4.38Å; I74-I81 HydrophobicContact CB-CD1 3.89Å; I74-I81 HydrophobicContact CG2-CD1 3.91Å; I74-I81 HydrophobicContact CG2-CG1 4.02Å; I74-Y240 HydrophobicContact CB-CD1 4.35Å; I74-Y240 HydrophobicContact CD1-CE1 4.44Å; I74-Y240 HydrophobicContact CG1-CD1 3.89Å; I74-Y240 HydrophobicContact CG1-CE1 3.95Å; I74-Y240 HydrophobicContact CG1-CG 4.43Å; I74-Y240 HydrophobicContact CG2-CD1 3.95Å; I74-Y240 HydrophobicContact CG2-CG 3.88Å |
| 75 | A | 98 | Very high | 96.4 | Very high | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -64.7 | -36.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | S71 I72 T77 H78 I81 P98 Q216 L218 | S71-A75 VanDerWaalsContact O-CB 3.31Å; S71-A75 WeakPolarHBondContact O-CB 3.32Å; S71-A75 PolarHBondContact O-N 3.38Å; I72-A75 PolarHBondContact O-N 3.04Å; I72-A75 VanDerWaalsContact O-N 3.14Å; A75-T77 PolarHBondContact O-N 3.45Å; A75-H78 PolarHBondContact O-N 3.45Å; A75-I81 HydrophobicContact CB-CD1 3.76Å; A75-P98 HydrophobicContact CB-CB 3.52Å; A75-P98 HydrophobicContact CB-CG 3.53Å; A75-Q216 PolarHBondContact O-NE2 2.95Å; A75-L218 HydrophobicContact CB-CD1 4.24Å; A75-L218 HydrophobicContact CB-CD2 4.29Å |
| 76 | L | 97.9 | Very high | 96.2 | Very high | 43 Ų | 43 | 26.7 Ų | 26.7 | 23% | 0.225 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.2 | -19.6 | 174.4 | -66.9 | 172.1 | 0 | 0 | 0 | 113.2 | F46 L48 I72 P73 I74 H78 P98 E101 | F46-L76 HydrophobicContact CB-CD1 4.28Å; L48-L76 HydrophobicContact CD2-CD1 3.89Å; L48-L76 HydrophobicContact CD2-CD2 4.34Å; I72-L76 HydrophobicContact CG2-CD1 3.94Å; I72-L76 HydrophobicContact CG2-CG 4.33Å; I72-L76 WeakPolarHBondContact O-CG 3.46Å; I72-L76 PolarHBondContact O-N 3.07Å; P73-L76 PolarHBondContact O-N 3.39Å; I74-L76 VanDerWaalsContact C-N 3.28Å; I74-L76 PolarHBondContact O-N 2.92Å; L76-H78 PolarHBondContact O-N 3.38Å; L76-P98 HydrophobicContact CD2-CB 3.9Å; L76-P98 HydrophobicContact CG-CB 4.19Å; L76-E101 HydrophobicContact CD2-CB 3.83Å; L76-E101 HydrophobicContact CD2-CG 3.55Å |
| 77 | T | 96.4 | Very high | 95.9 | Very high | 92 Ų | 92 | 26.2 Ų | 26.2 | 56% | 0.564 | 13% | 0.132 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | 2.5 | 172.6 | 72.3 | 0 | 0 | 0 | 0 | 114 | P73 I74 A75 R79 | P73-T77 WeakPolarHBondContact O-CG2 3.36Å; P73-T77 PolarHBondContact O-N 3.19Å; I74-T77 WeakPolarHBondContact O-CB 3.37Å; I74-T77 PolarHBondContact O-N 2.96Å; I74-T77 PolarHBondContact O-OG1 2.98Å; A75-T77 PolarHBondContact O-N 3.45Å; T77-R79 PolarHBondContact O-N 2.84Å |
| 78 | H | 95.8 | Very high | 95.5 | Very high | 114 Ų | 114 | 26.7 Ų | 26.7 | 53% | 0.528 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 18.4 | -175.2 | -55 | -59.7 | 0 | 0 | 0 | 115.2 | A75 L76 Q216 | A75-H78 PolarHBondContact O-N 3.45Å; L76-H78 PolarHBondContact O-N 3.38Å; H78-Q216 VanDerWaalsContact C-NE2 3.34Å; H78-Q216 VanDerWaalsContact CA-NE2 3.33Å |
| 79 | R | 97.2 | Very high | 95.2 | Very high | 86 Ų | 86 | 27 Ų | 27 | 33% | 0.325 | 14% | 0.138 | S | C | . | . | trans | -81.7 | 142.6 | 172.5 | -171.5 | 176.4 | 178.9 | -178.2 | -0.4 | 111 | I74 T77 Q216 N238 | I74-R79 HydrophobicContact CG2-CB 4.38Å; T77-R79 PolarHBondContact O-N 2.84Å; R79-Q216 PolarHBondContact O-NE2 3.02Å; R79-N238 PolarHBondContact NE-O 3.38Å; R79-N238 PolarHBondContact NH2-ND2 3.22Å; R79-N238 PolarHBondContact NH2-O 3.18Å; R79-N238 PolarHBondContact NH2-OD1 3.11Å | ||
| 80 | D | 98.6 | Very high | 95 | Very high | 3 Ų | 3 | 27.2 Ų | 27.2 | 2% | 0.016 | 14% | 0.144 | C | C | . | . | trans | -60.1 | 145.7 | 172.4 | -69.2 | -5 | 0 | 0 | 0 | 111 | Q216 V217 L236 R237 P239 Y240 | D80-Q216 VanDerWaalsContact OD1-CA 3.25Å; D80-Q216 WeakPolarHBondContact OD1-CA 3.19Å; D80-V217 VanDerWaalsContact CA-O 3.27Å; D80-V217 WeakPolarHBondContact CA-O 3.48Å; D80-V217 WeakPolarHBondContact CB-O 2.87Å; D80-V217 PolarHBondContact OD1-N 3.46Å; D80-L236 HydrophobicContact CB-CB 4.41Å; D80-L236 HydrophobicContact CB-CG 4.22Å; D80-L236 WeakPolarHBondContact OD2-CA 3.39Å; D80-R237 PolarHBondContact OD2-N 3.21Å; D80-P239 HydrophobicContact CB-CB 3.95Å; D80-P239 CarbonylContact O-C 3.46Å; D80-P239 VanDerWaalsContact O-CA 3.29Å; D80-P239 WeakPolarHBondContact O-CA 3.47Å; D80-Y240 PolarHBondContact O-N 2.89Å | ||
| 81 | I | 98.5 | Very high | 95 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128 | 139.4 | 179.3 | -64.8 | -176.3 | 0 | 0 | 0 | 109.8 | S71 I74 A75 A83 V217 L218 V219 Y240 I242 | S71-I81 WeakPolarHBondContact O-CD1 3.44Å; I74-I81 HydrophobicContact CB-CD1 3.89Å; I74-I81 HydrophobicContact CG2-CD1 3.91Å; I74-I81 HydrophobicContact CG2-CG1 4.02Å; A75-I81 HydrophobicContact CB-CD1 3.76Å; I81-A83 HydrophobicContact CG2-CB 3.86Å; I81-V217 PolarHBondContact N-O 3.45Å; I81-L218 HydrophobicContact CB-CD2 3.8Å; I81-L218 HydrophobicContact CD1-CD2 4.08Å; I81-L218 HydrophobicContact CG1-CD2 3.84Å; I81-V219 PolarHBondContact O-N 3.12Å; I81-Y240 WeakPolarHBondContact CA-O 3.44Å; I81-I242 HydrophobicContact CG2-CD1 4.03Å |
| 82 | M | 96.8 | Very high | 95 | Very high | 10 Ų | 10 | 27.8 Ų | 27.8 | 5% | 0.049 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 120.6 | 158.3 | 174.4 | -79.9 | -157.6 | 0 | 0 | 107.7 | R84 Y224 M232 Y240 Q241 I242 | M82-R84 HydrophobicContact CE-CG 3.45Å; M82-R84 VanDerWaalsContact CE-CG 3.45Å; M82-R84 HydrophobicContact SD-CG 3.92Å; M82-Y224 HydrophobicContact CE-CD2 3.3Å; M82-Y224 HydrophobicContact CE-CE1 4.48Å; M82-Y224 HydrophobicContact CE-CE2 3.25Å; M82-Y224 HydrophobicContact CE-CG 3.97Å; M82-Y224 HydrophobicContact CG-CE2 4.47Å; M82-M232 HydrophobicContact CB-CE 4.24Å; M82-M232 HydrophobicContact CB-SD 3.58Å; M82-M232 VanDerWaalsContact CB-SD 3.58Å; M82-M232 HydrophobicContact CE-CE 4.42Å; M82-M232 HydrophobicContact CG-CE 3.74Å; M82-M232 HydrophobicContact CG-SD 3.22Å; M82-M232 WeakPolarHBondContact CG-SD 3.39Å; M82-Y240 PolarHBondContact N-O 3.3Å; M82-Q241 HydrophobicContact CB-CG 4.28Å; M82-Q241 CarbonylContact O-C 3.4Å; M82-Q241 WeakPolarHBondContact O-CA 3.47Å; M82-Q241 HydrophobicContact SD-CB 4.43Å; M82-I242 PolarHBondContact O-N 3.12Å |
| 83 | A | 97.3 | Very high | 94.9 | Very high | 1 Ų | 1 | 27.9 Ų | 27.9 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 115 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111 | I67 I81 V219 Y220 S221 I242 | I67-A83 HydrophobicContact CD1-CB 3.86Å; I81-A83 HydrophobicContact CG2-CB 3.86Å; A83-V219 PolarHBondContact N-O 3.19Å; A83-Y220 HydrophobicContact CB-CD1 3.4Å; A83-Y220 HydrophobicContact CB-CE1 3.42Å; A83-Y220 VanDerWaalsContact CB-CE1 3.42Å; A83-Y220 HydrophobicContact CB-CG 4.05Å; A83-Y220 WeakPolarHBondContact O-CA 3.32Å; A83-S221 PolarHBondContact O-N 3.04Å; A83-S221 VanDerWaalsContact O-N 3.07Å; A83-I242 HydrophobicContact CB-CB 4.47Å |
| 84 | R | 94.7 | Very high | 95 | Very high | 61 Ų | 61 | 25.6 Ų | 25.6 | 23% | 0.23 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 110.4 | 174.5 | -81.8 | -175.3 | 73.8 | -158.4 | 0.6 | 110.6 | M82 S221 I242 N243 L244 M245 | M82-R84 HydrophobicContact CE-CG 3.45Å; M82-R84 VanDerWaalsContact CE-CG 3.45Å; M82-R84 HydrophobicContact SD-CG 3.92Å; R84-S221 VanDerWaalsContact CA-O 3.32Å; R84-S221 WeakPolarHBondContact CA-O 3.44Å; R84-I242 PolarHBondContact N-O 2.93Å; R84-N243 HydrophobicContact CB-CB 4.45Å; R84-L244 PolarHBondContact O-N 2.91Å; R84-M245 HydrophobicContact CB-CE 3.64Å; R84-M245 HydrophobicContact CG-CE 4.28Å |
| 85 | A | 93.1 | Very high | 95 | Very high | 3 Ų | 3 | 23.6 Ų | 23.6 | 3% | 0.025 | 12% | 0.121 | C | C | . | . | trans | -149.3 | 149.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | I67 K91 S221 A222 | I67-A85 HydrophobicContact CB-CB 4.06Å; I67-A85 HydrophobicContact CD1-CB 3.93Å; I67-A85 HydrophobicContact CG1-CB 3.81Å; A85-K91 HydrophobicContact CB-CD 4.19Å; A85-K91 HydrophobicContact CB-CG 4.11Å; A85-K91 PolarHBondContact O-NZ 3.15Å; A85-S221 PolarHBondContact N-O 2.99Å; A85-A222 WeakPolarHBondContact O-CA 3.35Å | ||
| 86 | K | 91.2 | Very high | 95.1 | Very high | 8 Ų | 8 | 23.6 Ų | 23.6 | 4% | 0.035 | 12% | 0.121 | C | C | . | . | trans | -60.6 | 161.8 | -176 | -51 | 176.7 | 177.8 | -178.7 | 0 | 111.6 | D34 T89 K91 M245 T247 T249 L250 | D34-K86 WeakPolarHBondContact OD1-CE 3.37Å; D34-K86 IonicContact OD1-NZ 3.9Å; D34-K86 PolarHBondContact OD1-NZ 3.24Å; D34-K86 IonicContact OD2-NZ 3.12Å; D34-K86 PolarHBondContact OD2-NZ 3.21Å; K86-T89 HydrophobicContact CB-CG2 3.73Å; K86-T89 PolarHBondContact O-OG1 2.99Å; K86-K91 PolarHBondContact O-NZ 3.49Å; K86-M245 HydrophobicContact CB-SD 4.37Å; K86-M245 HydrophobicContact CG-CG 3.74Å; K86-M245 HydrophobicContact CG-SD 3.78Å; K86-M245 PolarHBondContact N-SD 3Å; K86-T247 WeakPolarHBondContact CE-O 3.25Å; K86-T247 PolarHBondContact NZ-OG1 3.19Å; K86-T249 WeakPolarHBondContact CD-O 3.3Å; K86-T249 VanDerWaalsContact CE-O 3.22Å; K86-T249 WeakPolarHBondContact CE-O 3.01Å; K86-T249 PolarHBondContact NZ-O 3.09Å; K86-L250 HydrophobicContact CB-CD2 3.91Å; K86-L250 HydrophobicContact CB-CG 4.46Å; K86-L250 HydrophobicContact CD-CD2 4.02Å | ||
| 87 | N | 87.3 | Confident | 95.1 | Very high | 6 Ų | 6 | 21.5 Ų | 21.5 | 3% | 0.032 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.6 | 143.8 | 174.4 | -66.1 | -30.5 | 0 | 0 | 0 | 110.2 | T89 K91 L250 H364 | N87-T89 VanDerWaalsContact C-N 3.31Å; N87-T89 PolarHBondContact O-N 3Å; N87-K91 PolarHBondContact OD1-NZ 3.39Å; N87-L250 VanDerWaalsContact O-CD1 3.3Å; N87-L250 WeakPolarHBondContact O-CD1 3.19Å; N87-L250 WeakPolarHBondContact O-CD2 3.46Å; N87-H364 PolarHBondContact ND2-ND1 3.1Å |
| 88 | G | 86.6 | Confident | 95.2 | Very high | 10 Ų | 10 | 17.2 Ų | 17.2 | 10% | 0.103 | 8% | 0.084 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 10.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | F372 | G88-F372 VanDerWaalsContact O-CA 3.3Å; G88-F372 WeakPolarHBondContact O-CA 3.38Å; G88-F372 PolarHBondContact O-N 3.44Å |
| 89 | T | 90.3 | Very high | 95.3 | Very high | 7 Ų | 7 | 11.8 Ų | 11.8 | 4% | 0.043 | 6% | 0.059 | C | C | . | . | S | Bend | trans | -91.2 | 3.5 | -179.8 | 57.5 | 0 | 0 | 0 | 0 | 115.1 | D34 V35 S65 I67 K86 N87 L250 | D34-T89 HydrophobicContact CB-CG2 4.3Å; V35-T89 HydrophobicContact CG1-CG2 4.4Å; S65-T89 VanDerWaalsContact CB-O 3.24Å; S65-T89 WeakPolarHBondContact CB-O 3.35Å; S65-T89 PolarHBondContact OG-O 2.7Å; I67-T89 WeakPolarHBondContact CG2-O 3.09Å; K86-T89 HydrophobicContact CB-CG2 3.73Å; K86-T89 PolarHBondContact O-OG1 2.99Å; N87-T89 VanDerWaalsContact C-N 3.31Å; N87-T89 PolarHBondContact O-N 3Å; T89-L250 HydrophobicContact CG2-CD2 3.92Å |
| 90 | G | 92.4 | Very high | 95.4 | Very high | 17 Ų | 17 | 7.8 Ų | 7.8 | 18% | 0.175 | 4% | 0.044 | C | C | . | . | S | Bend | trans | 101.3 | 17 | 178 | 0 | 0 | 0 | 0 | 0 | 116 | Q68 T92 G93 A94 | Q68-G90 PolarHBondContact NE2-O 2.49Å; G90-T92 PolarHBondContact O-N 2.87Å; G90-T92 VanDerWaalsContact O-N 3.17Å; G90-G93 PolarHBondContact O-N 2.88Å; G90-G93 VanDerWaalsContact O-N 3.12Å; G90-A94 PolarHBondContact O-N 2.99Å |
| 91 | K | 95.2 | Very high | 95.4 | Very high | 13 Ų | 13 | 9 Ų | 9 | 6% | 0.057 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -48.4 | -40.9 | 176 | -65.6 | -167.5 | -69.8 | -94.8 | 0 | 113.4 | I67 A85 K86 N87 G93 A94 Y95 Y220 | I67-K91 HydrophobicContact CG1-CG 4.43Å; A85-K91 HydrophobicContact CB-CD 4.19Å; A85-K91 HydrophobicContact CB-CG 4.11Å; A85-K91 PolarHBondContact O-NZ 3.15Å; K86-K91 PolarHBondContact O-NZ 3.49Å; N87-K91 PolarHBondContact OD1-NZ 3.39Å; K91-G93 PolarHBondContact O-N 3.26Å; K91-A94 WeakPolarHBondContact O-CA 3.28Å; K91-A94 WeakPolarHBondContact O-CB 3.29Å; K91-A94 PolarHBondContact O-N 2.5Å; K91-Y95 WeakPolarHBondContact O-CD1 3.39Å; K91-Y95 WeakPolarHBondContact O-CE1 3.39Å; K91-Y95 PolarHBondContact O-N 3.09Å; K91-Y220 HydrophobicContact CB-CD1 4.24Å; K91-Y220 HydrophobicContact CD-CD1 4.4Å; K91-Y220 HydrophobicContact CG-CD1 4.32Å |
| 92 | T | 96 | Very high | 95.4 | Very high | 20 Ų | 20 | 10.7 Ų | 10.7 | 12% | 0.123 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 179 | -54.3 | 0 | 0 | 0 | 0 | 112.8 | G90 A94 Y95 S96 T125 I128 | G90-T92 PolarHBondContact O-N 2.87Å; G90-T92 VanDerWaalsContact O-N 3.17Å; T92-A94 PolarHBondContact O-N 3.05Å; T92-Y95 VanDerWaalsContact CA-CE1 3.49Å; T92-Y95 VanDerWaalsContact CA-CZ 3.49Å; T92-Y95 HydrophobicContact CG2-CE2 4.15Å; T92-Y95 WeakPolarHBondContact CG2-OH 3.27Å; T92-Y95 PolarHBondContact O-N 3.38Å; T92-Y95 PolarHBondContact OG1-OH 2.96Å; T92-S96 WeakPolarHBondContact O-CB 3.3Å; T92-S96 PolarHBondContact O-N 2.82Å; T92-S96 PolarHBondContact O-OG 3.12Å; T92-T125 HydrophobicContact CG2-CG2 4.23Å; T92-I128 HydrophobicContact CG2-CB 4.23Å; T92-I128 HydrophobicContact CG2-CD1 3.74Å; T92-I128 HydrophobicContact CG2-CG2 3.97Å |
| 93 | G | 96.6 | Very high | 95.5 | Very high | 1 Ų | 1 | 10.4 Ų | 10.4 | 1% | 0.01 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -62.6 | -33.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | W61 G90 K91 Y95 S96 V97 | W61-G93 VanDerWaalsContact CH2-CA 3.49Å; G90-G93 PolarHBondContact O-N 2.88Å; G90-G93 VanDerWaalsContact O-N 3.12Å; K91-G93 PolarHBondContact O-N 3.26Å; G93-Y95 VanDerWaalsContact C-N 3.3Å; G93-Y95 PolarHBondContact O-N 3.24Å; G93-S96 PolarHBondContact O-N 2.89Å; G93-V97 WeakPolarHBondContact O-CB 3.49Å; G93-V97 VanDerWaalsContact O-CG2 3.27Å; G93-V97 WeakPolarHBondContact O-CG2 3.33Å; G93-V97 PolarHBondContact O-N 3.04Å; G93-V97 VanDerWaalsContact O-N 3.14Å |
| 94 | A | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -63.5 | -32.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | I67 Q68 S71 G90 K91 T92 P98 Y220 | I67-A94 HydrophobicContact CG1-CB 4.14Å; I67-A94 HydrophobicContact CG2-CB 4.38Å; Q68-A94 HydrophobicContact CB-CB 4.44Å; Q68-A94 HydrophobicContact CG-CB 3.76Å; S71-A94 WeakPolarHBondContact OG-CB 3.32Å; S71-A94 PolarHBondContact OG-O 3.07Å; G90-A94 PolarHBondContact O-N 2.99Å; K91-A94 WeakPolarHBondContact O-CA 3.28Å; K91-A94 WeakPolarHBondContact O-CB 3.29Å; K91-A94 PolarHBondContact O-N 2.5Å; T92-A94 PolarHBondContact O-N 3.05Å; A94-P98 WeakPolarHBondContact O-CD 3.37Å; A94-P98 WeakPolarHBondContact O-CG 3.37Å; A94-Y220 HydrophobicContact CB-CE1 3.84Å; A94-Y220 PolarHBondContact O-OH 3.01Å |
| 95 | Y | 98.5 | Very high | 95.6 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -100.3 | -32.8 | 172.5 | 61.1 | -110.4 | 0 | 0 | 0 | 114.1 | K91 T92 G93 V97 P98 V99 I114 T125 V188 D190 Y220 | K91-Y95 WeakPolarHBondContact O-CD1 3.39Å; K91-Y95 WeakPolarHBondContact O-CE1 3.39Å; K91-Y95 PolarHBondContact O-N 3.09Å; T92-Y95 VanDerWaalsContact CA-CE1 3.49Å; T92-Y95 VanDerWaalsContact CA-CZ 3.49Å; T92-Y95 HydrophobicContact CG2-CE2 4.15Å; T92-Y95 WeakPolarHBondContact CG2-OH 3.27Å; T92-Y95 PolarHBondContact O-N 3.38Å; T92-Y95 PolarHBondContact OG1-OH 2.96Å; G93-Y95 VanDerWaalsContact C-N 3.3Å; G93-Y95 PolarHBondContact O-N 3.24Å; Y95-V97 PolarHBondContact O-N 2.74Å; Y95-P98 WeakPolarHBondContact O-CD 3.08Å; Y95-P98 WeakPolarHBondContact O-CG 3Å; Y95-V99 WeakPolarHBondContact O-CB 3.46Å; Y95-V99 WeakPolarHBondContact O-CG2 3.3Å; Y95-V99 PolarHBondContact O-N 2.64Å; Y95-V99 VanDerWaalsContact O-N 3.12Å; Y95-I114 HydrophobicContact CD2-CD1 4.11Å; Y95-I114 HydrophobicContact CD2-CG2 4.37Å; Y95-I114 HydrophobicContact CE2-CD1 4.06Å; Y95-I114 HydrophobicContact CE2-CG2 3.81Å; Y95-T125 HydrophobicContact CE2-CG2 4Å; Y95-T125 WeakPolarHBondContact OH-CG2 3.17Å; Y95-V188 HydrophobicContact CD1-CG1 3.87Å; Y95-V188 HydrophobicContact CD2-CG1 3.81Å; Y95-V188 HydrophobicContact CD2-CG2 4.48Å; Y95-V188 HydrophobicContact CE1-CG1 4.39Å; Y95-V188 HydrophobicContact CE2-CG1 4.38Å; Y95-V188 HydrophobicContact CG-CG1 3.57Å; Y95-D190 HydrophobicContact CE1-CB 3.83Å; Y95-D190 PolarHBondContact OH-OD2 3.05Å; Y95-Y220 AromaticContact CD1-CD2 3.81Å; Y95-Y220 HydrophobicContact CD1-CD2 3.81Å; Y95-Y220 HydrophobicContact CD1-CE2 4.04Å; Y95-Y220 HydrophobicContact CD1-CG 4.08Å; Y95-Y220 HydrophobicContact CG-CD2 4.4Å; Y95-Y220 HydrophobicContact CG-CE2 4.27Å |
| 96 | S | 98.6 | Very high | 95.8 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -67.3 | -39.2 | -175.9 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | T92 G93 V99 L100 C129 | T92-S96 WeakPolarHBondContact O-CB 3.3Å; T92-S96 PolarHBondContact O-N 2.82Å; T92-S96 PolarHBondContact O-OG 3.12Å; G93-S96 PolarHBondContact O-N 2.89Å; S96-V99 PolarHBondContact O-N 2.82Å; S96-L100 WeakPolarHBondContact O-CB 3.38Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 2.85Å; S96-C129 PolarHBondContact OG-SG 3.35Å |
| 97 | V | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.9 | -56.8 | 178.5 | 172.2 | 0 | 0 | 0 | 0 | 111.8 | L48 I52 I56 W61 I72 G93 Y95 V99 L100 E101 L132 | L48-V97 HydrophobicContact CD1-CG1 3.57Å; L48-V97 HydrophobicContact CD2-CG1 3.82Å; L48-V97 HydrophobicContact CG-CG1 4.37Å; I52-V97 HydrophobicContact CG2-CG1 4.39Å; I56-V97 HydrophobicContact CD1-CG1 4.17Å; I56-V97 HydrophobicContact CD1-CG2 3.9Å; I56-V97 HydrophobicContact CG1-CG2 4.26Å; W61-V97 HydrophobicContact CZ3-CG2 4.39Å; I72-V97 HydrophobicContact CD1-CB 4.14Å; I72-V97 HydrophobicContact CD1-CG1 4.24Å; I72-V97 HydrophobicContact CD1-CG2 4.47Å; I72-V97 HydrophobicContact CG2-CG1 4.23Å; G93-V97 WeakPolarHBondContact O-CB 3.49Å; G93-V97 VanDerWaalsContact O-CG2 3.27Å; G93-V97 WeakPolarHBondContact O-CG2 3.33Å; G93-V97 PolarHBondContact O-N 3.04Å; G93-V97 VanDerWaalsContact O-N 3.14Å; Y95-V97 PolarHBondContact O-N 2.74Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 PolarHBondContact O-N 2.83Å; V97-L100 PolarHBondContact O-N 3.34Å; V97-E101 WeakPolarHBondContact O-CB 3.22Å; V97-E101 PolarHBondContact O-N 2.83Å; V97-L132 HydrophobicContact CG2-CD1 4.28Å |
| 98 | P | 98.5 | Very high | 96.6 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.006 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -66.7 | -31.2 | -180 | 25.1 | -35 | 0 | 0 | 0 | 113.1 | A75 L76 A94 Y95 S102 | A75-P98 HydrophobicContact CB-CB 3.52Å; A75-P98 HydrophobicContact CB-CG 3.53Å; L76-P98 HydrophobicContact CD2-CB 3.9Å; L76-P98 HydrophobicContact CG-CB 4.19Å; A94-P98 WeakPolarHBondContact O-CD 3.37Å; A94-P98 WeakPolarHBondContact O-CG 3.37Å; Y95-P98 WeakPolarHBondContact O-CD 3.08Å; Y95-P98 WeakPolarHBondContact O-CG 3Å; P98-S102 WeakPolarHBondContact O-CB 3.5Å; P98-S102 PolarHBondContact O-N 2.8Å; P98-S102 VanDerWaalsContact O-N 3.09Å; P98-S102 PolarHBondContact O-OG 3.03Å |
| 99 | V | 98.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.006 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -52.5 | 172.7 | 164.7 | 0 | 0 | 0 | 0 | 110.7 | Y95 S96 V97 S102 I103 A112 I114 V162 I186 V188 | Y95-V99 WeakPolarHBondContact O-CB 3.46Å; Y95-V99 WeakPolarHBondContact O-CG2 3.3Å; Y95-V99 PolarHBondContact O-N 2.64Å; Y95-V99 VanDerWaalsContact O-N 3.12Å; S96-V99 PolarHBondContact O-N 2.82Å; V97-V99 VanDerWaalsContact C-N 3.32Å; V97-V99 PolarHBondContact O-N 2.83Å; V99-S102 PolarHBondContact O-N 2.81Å; V99-I103 WeakPolarHBondContact O-CG1 3.26Å; V99-A112 HydrophobicContact CG1-CB 3.59Å; V99-I114 HydrophobicContact CG1-CD1 4.33Å; V99-V162 HydrophobicContact CG1-CG1 4.33Å; V99-V162 HydrophobicContact CG1-CG2 4.47Å; V99-I186 HydrophobicContact CG2-CG2 3.91Å; V99-V188 HydrophobicContact CG2-CG2 3.59Å |
| 100 | L | 98.8 | Very high | 97.5 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -66.8 | -39.5 | -177.9 | -67.7 | 173 | 0 | 0 | 0 | 111.8 | I52 S96 V97 S102 I103 C129 L132 A133 I138 I140 V162 | I52-L100 HydrophobicContact CD1-CB 3.83Å; S96-L100 WeakPolarHBondContact O-CB 3.38Å; S96-L100 WeakPolarHBondContact O-CG 3.48Å; S96-L100 PolarHBondContact O-N 2.85Å; V97-L100 PolarHBondContact O-N 3.34Å; L100-S102 PolarHBondContact O-N 2.7Å; L100-I103 PolarHBondContact O-N 3.39Å; L100-C129 HydrophobicContact CD1-CB 4.44Å; L100-L132 HydrophobicContact CD1-CB 3.61Å; L100-L132 HydrophobicContact CD1-CD1 4.34Å; L100-A133 HydrophobicContact CD1-CB 4.12Å; L100-A133 HydrophobicContact CD2-CB 4.03Å; L100-I138 HydrophobicContact CB-CD1 4.13Å; L100-I138 HydrophobicContact CD2-CD1 4.07Å; L100-I138 HydrophobicContact CD2-CG2 4.02Å; L100-I138 WeakPolarHBondContact O-CD1 3.47Å; L100-I140 HydrophobicContact CD2-CD1 4.05Å; L100-V162 HydrophobicContact CD2-CG2 4.48Å |
| 101 | E | 98.4 | Very high | 97.8 | Very high | 29 Ų | 29 | 30.6 Ų | 30.6 | 14% | 0.136 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.6 | -38.3 | 175.4 | -178.6 | 52.7 | -134.9 | 0 | 0 | 111.8 | L48 K49 L76 V97 I103 | L48-E101 HydrophobicContact CD2-CB 4.21Å; L48-E101 HydrophobicContact CD2-CG 3.96Å; K49-E101 WeakPolarHBondContact CB-OE2 3.29Å; K49-E101 WeakPolarHBondContact CD-OE1 3.36Å; K49-E101 WeakPolarHBondContact CE-OE1 3.4Å; K49-E101 WeakPolarHBondContact CG-OE1 3.28Å; K49-E101 PolarHBondContact N-OE2 2.87Å; K49-E101 PolarHBondContact NZ-O 2.88Å; K49-E101 IonicContact NZ-OE1 3.23Å; L76-E101 HydrophobicContact CD2-CB 3.83Å; L76-E101 HydrophobicContact CD2-CG 3.55Å; V97-E101 WeakPolarHBondContact O-CB 3.22Å; V97-E101 PolarHBondContact O-N 2.83Å; E101-I103 VanDerWaalsContact C-N 3.29Å; E101-I103 PolarHBondContact O-N 3.39Å |
| 102 | S | 97.8 | Very high | 98 | Very high | 35 Ų | 35 | 30 Ų | 30 | 25% | 0.245 | 16% | 0.164 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -8.3 | -177.2 | -58.9 | 0 | 0 | 0 | 0 | 114.8 | P98 V99 L100 I186 | P98-S102 WeakPolarHBondContact O-CB 3.5Å; P98-S102 PolarHBondContact O-N 2.8Å; P98-S102 VanDerWaalsContact O-N 3.09Å; P98-S102 PolarHBondContact O-OG 3.03Å; V99-S102 PolarHBondContact O-N 2.81Å; L100-S102 PolarHBondContact O-N 2.7Å; S102-I186 VanDerWaalsContact CB-CD1 3.42Å |
| 103 | I | 98.4 | Very high | 98.1 | Very high | 4 Ų | 4 | 29 Ų | 29 | 2% | 0.021 | 16% | 0.158 | C | C | . | . | trans | -75.3 | 130.9 | -178.2 | -56.8 | -58.1 | 0 | 0 | 0 | 111 | K49 V99 L100 E101 T105 Q111 A112 I138 H161 V162 | K49-I103 PolarHBondContact NZ-O 3.09Å; V99-I103 WeakPolarHBondContact O-CG1 3.26Å; L100-I103 PolarHBondContact O-N 3.39Å; E101-I103 VanDerWaalsContact C-N 3.29Å; E101-I103 PolarHBondContact O-N 3.39Å; I103-T105 HydrophobicContact CG2-CG2 4.4Å; I103-Q111 HydrophobicContact CD1-CB 3.72Å; I103-A112 HydrophobicContact CD1-CB 4Å; I103-I138 HydrophobicContact CB-CD1 3.9Å; I103-I138 HydrophobicContact CB-CG1 4.05Å; I103-I138 HydrophobicContact CG1-CD1 4.19Å; I103-I138 HydrophobicContact CG1-CG2 4.35Å; I103-I138 HydrophobicContact CG2-CD1 4.37Å; I103-I138 HydrophobicContact CG2-CG1 3.94Å; I103-I138 HydrophobicContact CG2-CG2 4.3Å; I103-H161 HydrophobicContact CG2-CB 3.73Å; I103-V162 HydrophobicContact CD1-CG2 3.7Å; I103-V162 HydrophobicContact CG1-CG2 3.88Å | ||
| 104 | D | 97.9 | Very high | 98.2 | Very high | 65 Ų | 65 | 29 Ų | 29 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | trans | -98 | 105.8 | 167.1 | -178.2 | -7.2 | 0 | 0 | 0 | 110.1 | T106 I107 Q111 | D104-T106 VanDerWaalsContact CG-OG1 3.24Å; D104-T106 PolarHBondContact O-N 3.16Å; D104-T106 WeakPolarHBondContact OD1-CB 3.5Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.38Å; D104-T106 PolarHBondContact OD1-N 2.88Å; D104-T106 PolarHBondContact OD1-OG1 3.26Å; D104-T106 PolarHBondContact OD2-OG1 2.87Å; D104-I107 HydrophobicContact CB-CD1 4.25Å; D104-I107 HydrophobicContact CB-CG1 4.4Å; D104-I107 PolarHBondContact O-N 2.91Å; D104-I107 VanDerWaalsContact O-N 3.17Å; D104-I107 WeakPolarHBondContact OD2-CD1 3.26Å; D104-Q111 PolarHBondContact O-NE2 3.37Å | ||
| 105 | T | 97.6 | Very high | 98.3 | Very high | 56 Ų | 56 | 29 Ų | 29 | 34% | 0.344 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -8.1 | -177.9 | 55.5 | 0 | 0 | 0 | 0 | 114.2 | I103 I107 A137 I138 | I103-T105 HydrophobicContact CG2-CG2 4.4Å; T105-I107 VanDerWaalsContact C-N 3.29Å; T105-A137 HydrophobicContact CG2-CB 3.99Å; T105-I138 HydrophobicContact CG2-CG1 3.72Å |
| 106 | T | 97.5 | Very high | 98.2 | Very high | 110 Ų | 110 | 29 Ų | 29 | 68% | 0.675 | 16% | 0.157 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.1 | -20 | 173.4 | 72.3 | 0 | 0 | 0 | 0 | 111.9 | D104 | D104-T106 VanDerWaalsContact CG-OG1 3.24Å; D104-T106 PolarHBondContact O-N 3.16Å; D104-T106 WeakPolarHBondContact OD1-CB 3.5Å; D104-T106 WeakPolarHBondContact OD1-CG2 3.38Å; D104-T106 PolarHBondContact OD1-N 2.88Å; D104-T106 PolarHBondContact OD1-OG1 3.26Å; D104-T106 PolarHBondContact OD2-OG1 2.87Å |
| 107 | I | 97.4 | Very high | 98 | Very high | 78 Ų | 78 | 29.9 Ų | 29.9 | 40% | 0.4 | 16% | 0.163 | S | C | . | . | S | Bend | trans | -99 | 100.8 | 179 | -55.8 | 176.3 | 0 | 0 | 0 | 109 | D104 T105 K109 Q111 H161 | D104-I107 HydrophobicContact CB-CD1 4.25Å; D104-I107 HydrophobicContact CB-CG1 4.4Å; D104-I107 PolarHBondContact O-N 2.91Å; D104-I107 VanDerWaalsContact O-N 3.17Å; D104-I107 WeakPolarHBondContact OD2-CD1 3.26Å; T105-I107 VanDerWaalsContact C-N 3.29Å; I107-K109 HydrophobicContact CG2-CB 4.04Å; I107-K109 HydrophobicContact CG2-CG 4.1Å; I107-K109 PolarHBondContact O-N 3.47Å; I107-Q111 PolarHBondContact O-NE2 2.93Å; I107-H161 PolarHBondContact O-CD2 2.83Å; I107-H161 PolarHBondContact O-NE2 3.36Å |
| 108 | N | 96.6 | Very high | 97.6 | Very high | 107 Ų | 107 | 31 Ų | 31 | 57% | 0.572 | 17% | 0.17 | S | C | * | . | trans | -73.2 | 57.6 | 179.3 | -66.6 | -41.8 | 0 | 0 | 0 | 113 | T159 | N108-T159 HydrophobicContact CB-CG2 3.84Å; N108-T159 WeakPolarHBondContact OD1-CG2 3.16Å; N108-T159 PolarHBondContact OD1-OG1 2.81Å | ||
| 109 | K | 97.9 | Very high | 97.3 | Very high | 88 Ų | 88 | 34.4 Ų | 34.4 | 38% | 0.383 | 18% | 0.183 | S | C | . | . | S | Bend | trans | -136.5 | 159.5 | 179.3 | -67.6 | -68.1 | -169.8 | 164.2 | 0 | 110.3 | I107 Q111 V160 D180 K183 | I107-K109 HydrophobicContact CG2-CB 4.04Å; I107-K109 HydrophobicContact CG2-CG 4.1Å; I107-K109 PolarHBondContact O-N 3.47Å; K109-Q111 PolarHBondContact O-N 3.38Å; K109-V160 CarbonylContact C-O 3.52Å; K109-D180 IonicContact NZ-OD2 3.78Å; K109-D180 PolarHBondContact NZ-OD2 3.3Å; K109-K183 HydrophobicContact CB-CB 4.11Å; K109-K183 HydrophobicContact CB-CG 4.43Å; K109-K183 HydrophobicContact CG-CG 4.33Å |
| 110 | I | 98.6 | Very high | 96.9 | Very high | 10 Ų | 10 | 34.4 Ų | 34.4 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | trans | -68.5 | 119.6 | 170.9 | -63.2 | 158.1 | 0 | 0 | 0 | 108 | I113 V160 L163 I179 I181 K183 C184 | I110-I113 HydrophobicContact CG2-CG1 4.27Å; I110-V160 WeakPolarHBondContact CA-O 3.43Å; I110-V160 HydrophobicContact CG1-CB 4.34Å; I110-V160 HydrophobicContact CG1-CG1 4.2Å; I110-V160 PolarHBondContact N-O 3.21Å; I110-L163 HydrophobicContact CD1-CD1 3.74Å; I110-L163 HydrophobicContact CD1-CD2 4.48Å; I110-L163 HydrophobicContact CD1-CG 4.1Å; I110-L163 HydrophobicContact CG1-CD1 4.36Å; I110-L163 HydrophobicContact CG1-CG 4.23Å; I110-L163 HydrophobicContact CG2-CD1 4.11Å; I110-L163 HydrophobicContact CG2-CG 3.98Å; I110-I179 HydrophobicContact CD1-CB 4.08Å; I110-I179 HydrophobicContact CD1-CG2 4.33Å; I110-I181 HydrophobicContact CD1-CG2 4.13Å; I110-I181 HydrophobicContact CG2-CG2 4.28Å; I110-K183 CarbonylContact O-C 3.55Å; I110-K183 VanDerWaalsContact O-C 3.29Å; I110-C184 HydrophobicContact CG2-CB 4.48Å; I110-C184 WeakPolarHBondContact O-CA 3.22Å; I110-C184 PolarHBondContact O-N 2.78Å | ||
| 111 | Q | 98.6 | Very high | 96.6 | Very high | 23 Ų | 23 | 34.3 Ų | 34.3 | 11% | 0.107 | 18% | 0.182 | C | C | . | . | trans | -112.8 | -25.1 | -175 | -72.7 | 173 | 59.5 | 0 | 0 | 112.4 | I103 D104 I107 K109 H161 C184 K185 I186 | I103-Q111 HydrophobicContact CD1-CB 3.72Å; D104-Q111 PolarHBondContact O-NE2 3.37Å; I107-Q111 PolarHBondContact O-NE2 2.93Å; K109-Q111 PolarHBondContact O-N 3.38Å; Q111-H161 PolarHBondContact N-O 3.35Å; Q111-C184 CarbonylContact O-C 3.2Å; Q111-C184 WeakPolarHBondContact O-CA 3.36Å; Q111-K185 PolarHBondContact O-N 3.07Å; Q111-I186 PolarHBondContact O-N 3.22Å | ||
| 112 | A | 98.9 | Very high | 96.5 | Very high | 1 Ų | 1 | 33 Ų | 33 | 1% | 0.008 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.3 | 148.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V99 I103 H161 V162 L163 I186 | V99-A112 HydrophobicContact CG1-CB 3.59Å; I103-A112 HydrophobicContact CD1-CB 4Å; A112-H161 PolarHBondContact N-O 3.45Å; A112-V162 HydrophobicContact CB-CG1 4.31Å; A112-V162 HydrophobicContact CB-CG2 4.35Å; A112-V162 WeakPolarHBondContact O-CA 3.44Å; A112-L163 PolarHBondContact O-N 2.8Å; A112-I186 CarbonylContact C-O 3.58Å; A112-I186 VanDerWaalsContact CA-O 3.29Å; A112-I186 WeakPolarHBondContact CA-O 3.2Å; A112-I186 HydrophobicContact CB-CB 4.18Å |
| 113 | I | 98.9 | Very high | 96.2 | Very high | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 128.9 | 173.8 | -63.6 | 171.2 | 0 | 0 | 0 | 108.7 | I110 L115 L163 L170 I181 C184 I186 V187 V188 I207 V211 | I110-I113 HydrophobicContact CG2-CG1 4.27Å; I113-L115 HydrophobicContact CG2-CD2 3.61Å; I113-L115 HydrophobicContact CG2-CG 3.89Å; I113-L163 CarbonylContact C-O 3.56Å; I113-L163 WeakPolarHBondContact CA-O 3.39Å; I113-L163 HydrophobicContact CG1-CB 4.21Å; I113-L170 HydrophobicContact CD1-CD2 4.19Å; I113-L170 HydrophobicContact CG2-CD1 3.72Å; I113-I181 HydrophobicContact CD1-CB 4.15Å; I113-I181 HydrophobicContact CD1-CD1 4.12Å; I113-I181 HydrophobicContact CD1-CG2 3.93Å; I113-C184 HydrophobicContact CD1-CB 4.43Å; I113-I186 PolarHBondContact N-O 3.18Å; I113-V187 CarbonylContact O-C 3.58Å; I113-V187 WeakPolarHBondContact O-CA 3.27Å; I113-V188 PolarHBondContact O-N 3.45Å; I113-I207 HydrophobicContact CD1-CG2 3.88Å; I113-V211 HydrophobicContact CD1-CG1 3.86Å |
| 114 | I | 98.9 | Very high | 96 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.6 | 110.2 | 170.5 | -55.9 | 174.4 | 0 | 0 | 0 | 108.2 | Y95 V99 V116 T125 V162 L163 I164 G165 V188 | Y95-I114 HydrophobicContact CD2-CD1 4.11Å; Y95-I114 HydrophobicContact CD2-CG2 4.37Å; Y95-I114 HydrophobicContact CE2-CD1 4.06Å; Y95-I114 HydrophobicContact CE2-CG2 3.81Å; V99-I114 HydrophobicContact CG1-CD1 4.33Å; I114-V116 HydrophobicContact CG2-CG1 4.21Å; I114-T125 HydrophobicContact CG2-CG2 4.09Å; I114-V162 HydrophobicContact CD1-CG1 4.48Å; I114-L163 PolarHBondContact N-O 2.53Å; I114-I164 HydrophobicContact CB-CG1 4.11Å; I114-I164 HydrophobicContact CB-CG2 4.29Å; I114-I164 HydrophobicContact CD1-CD1 4.11Å; I114-I164 HydrophobicContact CD1-CG1 4.12Å; I114-I164 HydrophobicContact CG1-CG1 4.39Å; I114-I164 HydrophobicContact CG2-CG2 4.47Å; I114-I164 WeakPolarHBondContact O-CA 3.48Å; I114-G165 PolarHBondContact O-N 3.02Å; I114-V188 HydrophobicContact CB-CB 4.31Å; I114-V188 HydrophobicContact CG1-CB 4.08Å; I114-V188 HydrophobicContact CG1-CG2 4.06Å; I114-V188 HydrophobicContact CG2-CB 4.13Å; I114-V188 HydrophobicContact CG2-CG1 4.27Å |
| 115 | L | 98.8 | Very high | 95.9 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 135 | 175.4 | -59.7 | -178.5 | 0 | 0 | 0 | 110.1 | I113 G165 L170 V188 L189 D190 L195 V204 I207 | I113-L115 HydrophobicContact CG2-CD2 3.61Å; I113-L115 HydrophobicContact CG2-CG 3.89Å; L115-G165 WeakPolarHBondContact CA-O 3.12Å; L115-L170 HydrophobicContact CD2-CD1 4.16Å; L115-V188 PolarHBondContact N-O 3.28Å; L115-L189 HydrophobicContact CB-CD2 3.95Å; L115-L189 HydrophobicContact CD1-CD2 3.72Å; L115-L189 HydrophobicContact CG-CD2 4.22Å; L115-D190 PolarHBondContact O-N 3.24Å; L115-L195 HydrophobicContact CB-CD1 4.01Å; L115-L195 HydrophobicContact CB-CD2 4.33Å; L115-L195 WeakPolarHBondContact O-CD1 3.47Å; L115-V204 HydrophobicContact CD1-CG1 4.27Å; L115-V204 HydrophobicContact CD1-CG2 4.26Å; L115-I207 HydrophobicContact CD1-CD1 3.88Å; L115-I207 HydrophobicContact CD1-CG2 4.44Å; L115-I207 HydrophobicContact CD2-CD1 3.84Å |
| 116 | V | 97.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | trans | -137 | 149.8 | 175.1 | -53.8 | 0 | 0 | 0 | 0 | 109.5 | I114 T118 L121 A122 G165 D190 | I114-V116 HydrophobicContact CG2-CG1 4.21Å; V116-T118 WeakPolarHBondContact CG2-O 3.34Å; V116-T118 PolarHBondContact O-N 2.86Å; V116-L121 HydrophobicContact CB-CB 4.47Å; V116-L121 HydrophobicContact CB-CD2 4.07Å; V116-L121 HydrophobicContact CB-CG 4.03Å; V116-L121 HydrophobicContact CG1-CD2 4.45Å; V116-L121 HydrophobicContact CG1-CG 4.24Å; V116-L121 HydrophobicContact CG2-CB 4.39Å; V116-L121 HydrophobicContact CG2-CG 4.38Å; V116-A122 VanDerWaalsContact CG2-CA 3.48Å; V116-A122 HydrophobicContact CG2-CB 3.43Å; V116-A122 VanDerWaalsContact CG2-CB 3.43Å; V116-G165 PolarHBondContact N-O 3.45Å; V116-D190 HydrophobicContact CG1-CB 4.11Å | ||
| 117 | P | 93.8 | Very high | 95.8 | Very high | 18 Ų | 18 | 25.2 Ų | 25.2 | 12% | 0.117 | 12% | 0.124 | C | C | . | . | S | Bend | trans | -75.4 | -22.8 | -171.9 | 28.1 | -37.8 | 0 | 0 | 0 | 114.2 | D190 E191 K194 L195 L200 | P117-D190 VanDerWaalsContact CD-O 3.3Å; P117-D190 WeakPolarHBondContact CD-O 3.25Å; P117-E191 HydrophobicContact CG-CB 3.69Å; P117-E191 HydrophobicContact CG-CG 4.36Å; P117-K194 HydrophobicContact CB-CB 3.89Å; P117-K194 HydrophobicContact CB-CG 3.59Å; P117-K194 HydrophobicContact CG-CB 4.18Å; P117-K194 HydrophobicContact CG-CG 4.29Å; P117-L195 HydrophobicContact CB-CD2 4.28Å; P117-L195 HydrophobicContact CB-CG 4.39Å; P117-L200 HydrophobicContact CB-CD1 4.38Å |
| 118 | T | 91.4 | Very high | 95.7 | Very high | 24 Ų | 24 | 22.2 Ų | 22.2 | 15% | 0.147 | 11% | 0.109 | C | C | . | . | trans | -125.7 | 150.8 | -174.4 | 70.9 | 0 | 0 | 0 | 0 | 112.3 | V116 E120 L121 A122 | V116-T118 WeakPolarHBondContact CG2-O 3.34Å; V116-T118 PolarHBondContact O-N 2.86Å; T118-E120 VanDerWaalsContact C-N 3.33Å; T118-L121 PolarHBondContact O-N 2.8Å; T118-L121 WeakPolarHBondContact OG1-CB 3.4Å; T118-L121 PolarHBondContact OG1-N 3.45Å; T118-A122 PolarHBondContact O-N 3.47Å | ||
| 119 | R | 91.9 | Very high | 95.8 | Very high | 72 Ų | 72 | 17.2 Ų | 17.2 | 27% | 0.272 | 8% | 0.082 | S | C | . | . | H | α-helix | trans | -70.1 | -35.8 | -176.5 | -59.8 | 173.4 | -177.6 | 174.4 | -0.1 | 111.2 | A122 L123 I144 G145 T166 | R119-A122 WeakPolarHBondContact O-CB 3.45Å; R119-A122 PolarHBondContact O-N 3.21Å; R119-L123 PolarHBondContact O-N 3.04Å; R119-I144 HydrophobicContact CB-CB 4.19Å; R119-I144 HydrophobicContact CB-CD1 4.13Å; R119-I144 HydrophobicContact CB-CG2 4.13Å; R119-I144 HydrophobicContact CG-CB 4Å; R119-I144 HydrophobicContact CG-CG2 4.23Å; R119-G145 VanDerWaalsContact CD-O 3.23Å; R119-G145 WeakPolarHBondContact CD-O 3.48Å; R119-G145 PolarHBondContact NE-O 3.21Å; R119-G145 PolarHBondContact NH1-O 3.06Å; R119-T166 HydrophobicContact CG-CG2 3.92Å |
| 120 | E | 90.7 | Very high | 95.8 | Very high | 1 Ų | 1 | 17.5 Ų | 17.5 | 1% | 0.005 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -68.3 | -38.1 | 177.8 | -60.3 | 83.2 | 180 | 0 | 0 | 111.1 | T118 Q124 R317 L338 I342 | T118-E120 VanDerWaalsContact C-N 3.33Å; E120-Q124 PolarHBondContact O-N 3.04Å; E120-Q124 VanDerWaalsContact O-N 3.16Å; E120-R317 IonicContact OE1-CZ 3.51Å; E120-R317 IonicContact OE1-NE 2.66Å; E120-R317 IonicContact OE1-NH1 3.53Å; E120-R317 PolarHBondContact OE1-NH1 3.18Å; E120-L338 HydrophobicContact CB-CD2 3.89Å; E120-L338 HydrophobicContact CG-CD2 3.73Å; E120-I342 HydrophobicContact CB-CD1 3.74Å |
| 121 | L | 92.2 | Very high | 95.8 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -67.6 | -38.2 | 170.9 | -177.6 | 51.7 | 0 | 0 | 0 | 111.5 | V116 T118 L123 Q124 T125 E191 I342 | V116-L121 HydrophobicContact CB-CB 4.47Å; V116-L121 HydrophobicContact CB-CD2 4.07Å; V116-L121 HydrophobicContact CB-CG 4.03Å; V116-L121 HydrophobicContact CG1-CD2 4.45Å; V116-L121 HydrophobicContact CG1-CG 4.24Å; V116-L121 HydrophobicContact CG2-CB 4.39Å; V116-L121 HydrophobicContact CG2-CG 4.38Å; T118-L121 PolarHBondContact O-N 2.8Å; T118-L121 WeakPolarHBondContact OG1-CB 3.4Å; T118-L121 PolarHBondContact OG1-N 3.45Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 2.64Å; L121-Q124 PolarHBondContact O-N 3.37Å; L121-T125 WeakPolarHBondContact O-CB 3.4Å; L121-T125 PolarHBondContact O-N 3.12Å; L121-T125 PolarHBondContact O-OG1 3.33Å; L121-T125 VanDerWaalsContact O-OG1 3.09Å; L121-E191 HydrophobicContact CD2-CG 3.89Å; L121-I342 HydrophobicContact CB-CD1 4.45Å |
| 122 | A | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.4 | -43.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | V116 T118 R119 T125 S126 L142 I144 | V116-A122 VanDerWaalsContact CG2-CA 3.48Å; V116-A122 HydrophobicContact CG2-CB 3.43Å; V116-A122 VanDerWaalsContact CG2-CB 3.43Å; T118-A122 PolarHBondContact O-N 3.47Å; R119-A122 WeakPolarHBondContact O-CB 3.45Å; R119-A122 PolarHBondContact O-N 3.21Å; A122-T125 PolarHBondContact O-N 3.26Å; A122-S126 VanDerWaalsContact O-CB 3.27Å; A122-S126 WeakPolarHBondContact O-CB 3.33Å; A122-S126 PolarHBondContact O-N 2.92Å; A122-S126 PolarHBondContact O-OG 2.84Å; A122-L142 HydrophobicContact CB-CD1 3.54Å; A122-I144 HydrophobicContact CB-CG2 3.57Å |
| 123 | L | 92.7 | Very high | 95.7 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.168 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -56.3 | -51.4 | 173.9 | -79.6 | 161.6 | 0 | 0 | 0 | 111.1 | R119 L121 S126 Q127 L142 I144 N318 | R119-L123 PolarHBondContact O-N 3.04Å; L121-L123 VanDerWaalsContact C-N 3.33Å; L121-L123 PolarHBondContact O-N 2.64Å; L123-S126 PolarHBondContact O-N 3.12Å; L123-S126 PolarHBondContact O-OG 3.19Å; L123-Q127 WeakPolarHBondContact O-CG 3.31Å; L123-Q127 PolarHBondContact O-N 3.27Å; L123-L142 HydrophobicContact CD2-CD2 3.26Å; L123-L142 HydrophobicContact CG-CD2 3.79Å; L123-I144 HydrophobicContact CD1-CD1 4.43Å; L123-I144 HydrophobicContact CG-CD1 4.38Å; L123-N318 VanDerWaalsContact CD1-OD1 3.3Å; L123-N318 WeakPolarHBondContact CD1-OD1 3.45Å |
| 124 | Q | 92.8 | Very high | 95.6 | Very high | 2 Ų | 2 | 25.6 Ų | 25.6 | 1% | 0.009 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.4 | -49.6 | 178.8 | 179.7 | -179.9 | -64.1 | 0 | 0 | 112.7 | E120 L121 S126 Q127 I128 G341 | E120-Q124 PolarHBondContact O-N 3.04Å; E120-Q124 VanDerWaalsContact O-N 3.16Å; L121-Q124 PolarHBondContact O-N 3.37Å; Q124-S126 VanDerWaalsContact C-N 3.26Å; Q124-S126 PolarHBondContact O-N 2.72Å; Q124-Q127 PolarHBondContact O-N 3.14Å; Q124-I128 HydrophobicContact CG-CD1 4.05Å; Q124-I128 WeakPolarHBondContact O-CG1 3.35Å; Q124-I128 PolarHBondContact O-N 3Å; Q124-G341 PolarHBondContact NE2-O 3.25Å |
| 125 | T | 96.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -60.3 | -40.3 | 179.4 | -63.6 | 0 | 0 | 0 | 0 | 110.5 | T92 Y95 I114 L121 A122 Q127 I128 C129 I164 | T92-T125 HydrophobicContact CG2-CG2 4.23Å; Y95-T125 HydrophobicContact CE2-CG2 4Å; Y95-T125 WeakPolarHBondContact OH-CG2 3.17Å; I114-T125 HydrophobicContact CG2-CG2 4.09Å; L121-T125 WeakPolarHBondContact O-CB 3.4Å; L121-T125 PolarHBondContact O-N 3.12Å; L121-T125 PolarHBondContact O-OG1 3.33Å; L121-T125 VanDerWaalsContact O-OG1 3.09Å; A122-T125 PolarHBondContact O-N 3.26Å; T125-Q127 PolarHBondContact O-N 3.18Å; T125-I128 PolarHBondContact O-N 2.94Å; T125-C129 PolarHBondContact O-N 3.21Å; T125-C129 PolarHBondContact O-SG 3.45Å; T125-I164 HydrophobicContact CG2-CG2 3.88Å |
| 126 | S | 97.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 30 Ų | 30 | 6% | 0.056 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63 | -40.8 | 176.4 | 75 | 0 | 0 | 0 | 0 | 113 | A122 L123 Q124 C129 I130 | A122-S126 VanDerWaalsContact O-CB 3.27Å; A122-S126 WeakPolarHBondContact O-CB 3.33Å; A122-S126 PolarHBondContact O-N 2.92Å; A122-S126 PolarHBondContact O-OG 2.84Å; L123-S126 PolarHBondContact O-N 3.12Å; L123-S126 PolarHBondContact O-OG 3.19Å; Q124-S126 VanDerWaalsContact C-N 3.26Å; Q124-S126 PolarHBondContact O-N 2.72Å; S126-C129 PolarHBondContact O-N 3.49Å; S126-I130 WeakPolarHBondContact O-CB 3.32Å; S126-I130 WeakPolarHBondContact O-CD1 3.46Å; S126-I130 WeakPolarHBondContact O-CG1 3.38Å; S126-I130 PolarHBondContact O-N 3.1Å |
| 127 | Q | 95.5 | Very high | 95.5 | Very high | 66 Ų | 66 | 32.7 Ų | 32.7 | 31% | 0.308 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -64.9 | -44.8 | 176.9 | -71.7 | 172.3 | -2.5 | 0 | 0 | 111.4 | L123 Q124 T125 C129 I130 E131 | L123-Q127 WeakPolarHBondContact O-CG 3.31Å; L123-Q127 PolarHBondContact O-N 3.27Å; Q124-Q127 PolarHBondContact O-N 3.14Å; T125-Q127 PolarHBondContact O-N 3.18Å; Q127-C129 VanDerWaalsContact C-N 3.34Å; Q127-C129 PolarHBondContact O-N 3.27Å; Q127-I130 PolarHBondContact O-N 2.81Å; Q127-E131 VanDerWaalsContact O-CG 3.28Å; Q127-E131 WeakPolarHBondContact O-CG 3.37Å; Q127-E131 PolarHBondContact O-N 2.92Å |
| 128 | I | 96.3 | Very high | 95.8 | Very high | 15 Ų | 15 | 32.7 Ų | 32.7 | 8% | 0.077 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.9 | -47.7 | 175.9 | -66.9 | 166.3 | 0 | 0 | 0 | 110.1 | W61 T92 Q124 T125 I130 E131 L132 | W61-I128 HydrophobicContact CH2-CG2 3.81Å; W61-I128 HydrophobicContact CZ2-CG2 4.12Å; T92-I128 HydrophobicContact CG2-CB 4.23Å; T92-I128 HydrophobicContact CG2-CD1 3.74Å; T92-I128 HydrophobicContact CG2-CG2 3.97Å; Q124-I128 HydrophobicContact CG-CD1 4.05Å; Q124-I128 WeakPolarHBondContact O-CG1 3.35Å; Q124-I128 PolarHBondContact O-N 3Å; T125-I128 PolarHBondContact O-N 2.94Å; I128-I130 VanDerWaalsContact C-N 3.32Å; I128-I130 PolarHBondContact O-N 3.34Å; I128-E131 PolarHBondContact O-N 3.2Å; I128-L132 HydrophobicContact CG2-CD1 3.95Å; I128-L132 HydrophobicContact CG2-CG 4.3Å; I128-L132 VanDerWaalsContact O-CG 3.28Å; I128-L132 WeakPolarHBondContact O-CG 3.49Å; I128-L132 PolarHBondContact O-N 2.73Å |
| 129 | C | 98.7 | Very high | 96.1 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.007 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.7 | -36.7 | 178.7 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | S96 L100 T125 S126 Q127 A133 I140 I164 | S96-C129 PolarHBondContact OG-SG 3.35Å; L100-C129 HydrophobicContact CD1-CB 4.44Å; T125-C129 PolarHBondContact O-N 3.21Å; T125-C129 PolarHBondContact O-SG 3.45Å; S126-C129 PolarHBondContact O-N 3.49Å; Q127-C129 VanDerWaalsContact C-N 3.34Å; Q127-C129 PolarHBondContact O-N 3.27Å; C129-A133 WeakPolarHBondContact O-CB 3.2Å; C129-A133 PolarHBondContact O-N 3.23Å; C129-I140 VanDerWaalsContact C-CD1 3.42Å; C129-I140 HydrophobicContact CB-CD1 3.6Å; C129-I140 WeakPolarHBondContact O-CD1 3.42Å; C129-I164 HydrophobicContact CB-CD1 3.76Å |
| 130 | I | 98.3 | Very high | 96.4 | Very high | 94 Ų | 94 | 33.9 Ų | 33.9 | 48% | 0.482 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -65.2 | -42.6 | 175.8 | -71.9 | 164.2 | 0 | 0 | 0 | 111.1 | S126 Q127 I128 A133 K134 I140 | S126-I130 WeakPolarHBondContact O-CB 3.32Å; S126-I130 WeakPolarHBondContact O-CD1 3.46Å; S126-I130 WeakPolarHBondContact O-CG1 3.38Å; S126-I130 PolarHBondContact O-N 3.1Å; Q127-I130 PolarHBondContact O-N 2.81Å; I128-I130 VanDerWaalsContact C-N 3.32Å; I128-I130 PolarHBondContact O-N 3.34Å; I130-A133 CarbonylContact O-C 3.54Å; I130-A133 PolarHBondContact O-N 3.24Å; I130-K134 PolarHBondContact O-N 3.21Å; I130-I140 HydrophobicContact CG1-CB 4.25Å; I130-I140 HydrophobicContact CG1-CD1 4.01Å |
| 131 | E | 97.1 | Very high | 96.7 | Very high | 70 Ų | 70 | 34.1 Ų | 34.1 | 33% | 0.327 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -63.9 | -45 | 177.1 | -68.8 | 165.7 | 148.9 | 0 | 0 | 111.3 | K59 Q127 I128 A133 K134 | K59-E131 HydrophobicContact CD-CB 4.31Å; K59-E131 VanDerWaalsContact CD-OE2 3.29Å; K59-E131 WeakPolarHBondContact CD-OE2 3.39Å; K59-E131 WeakPolarHBondContact CE-OE2 3.49Å; K59-E131 IonicContact NZ-OE1 2.74Å; K59-E131 PolarHBondContact NZ-OE1 2.99Å; K59-E131 IonicContact NZ-OE2 3.87Å; K59-E131 PolarHBondContact NZ-OE2 2.96Å; Q127-E131 VanDerWaalsContact O-CG 3.28Å; Q127-E131 WeakPolarHBondContact O-CG 3.37Å; Q127-E131 PolarHBondContact O-N 2.92Å; I128-E131 PolarHBondContact O-N 3.2Å; E131-A133 VanDerWaalsContact C-N 3.31Å; E131-A133 PolarHBondContact O-N 3.18Å; E131-K134 WeakPolarHBondContact O-CB 3.36Å; E131-K134 PolarHBondContact O-N 2.86Å |
| 132 | L | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64.7 | -35.1 | 176 | -66.5 | 177.8 | 0 | 0 | 0 | 112.5 | I56 W61 V97 L100 I128 K134 | I56-L132 HydrophobicContact CB-CD2 4.43Å; I56-L132 HydrophobicContact CG1-CD2 3.8Å; W61-L132 HydrophobicContact CE3-CD2 4.02Å; W61-L132 HydrophobicContact CH2-CD1 3.89Å; W61-L132 HydrophobicContact CH2-CD2 4.18Å; W61-L132 HydrophobicContact CH2-CG 4.43Å; W61-L132 HydrophobicContact CZ3-CD1 3.76Å; W61-L132 HydrophobicContact CZ3-CD2 3.71Å; W61-L132 HydrophobicContact CZ3-CG 4.28Å; V97-L132 HydrophobicContact CG2-CD1 4.28Å; L100-L132 HydrophobicContact CD1-CB 3.61Å; L100-L132 HydrophobicContact CD1-CD1 4.34Å; I128-L132 HydrophobicContact CG2-CD1 3.95Å; I128-L132 HydrophobicContact CG2-CG 4.3Å; I128-L132 VanDerWaalsContact O-CG 3.28Å; I128-L132 WeakPolarHBondContact O-CG 3.49Å; I128-L132 PolarHBondContact O-N 2.73Å; L132-K134 VanDerWaalsContact C-N 3.35Å |
| 133 | A | 98.3 | Very high | 97 | Very high | 6 Ų | 6 | 36.3 Ų | 36.3 | 5% | 0.05 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.5 | 3.5 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | L100 C129 I130 E131 H135 T136 I138 I140 | L100-A133 HydrophobicContact CD1-CB 4.12Å; L100-A133 HydrophobicContact CD2-CB 4.03Å; C129-A133 WeakPolarHBondContact O-CB 3.2Å; C129-A133 PolarHBondContact O-N 3.23Å; I130-A133 CarbonylContact O-C 3.54Å; I130-A133 PolarHBondContact O-N 3.24Å; E131-A133 VanDerWaalsContact C-N 3.31Å; E131-A133 PolarHBondContact O-N 3.18Å; A133-H135 PolarHBondContact O-N 3.23Å; A133-H135 VanDerWaalsContact O-N 3.08Å; A133-T136 WeakPolarHBondContact O-CB 3.5Å; A133-T136 PolarHBondContact O-N 3.05Å; A133-T136 PolarHBondContact O-OG1 2.92Å; A133-I138 HydrophobicContact CB-CB 4.35Å; A133-I140 HydrophobicContact CB-CD1 4.02Å |
| 134 | K | 96.6 | Very high | 97.1 | Very high | 128 Ų | 128 | 35 Ų | 35 | 56% | 0.557 | 18% | 0.178 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -33.9 | -170.4 | 177.2 | -176.4 | 167.4 | -159 | 0 | 114.4 | E58 I130 E131 L132 | E58-K134 IonicContact OE1-NZ 2.8Å; E58-K134 IonicContact OE2-NZ 2.94Å; E58-K134 PolarHBondContact OE2-NZ 2.81Å; I130-K134 PolarHBondContact O-N 3.21Å; E131-K134 WeakPolarHBondContact O-CB 3.36Å; E131-K134 PolarHBondContact O-N 2.86Å; L132-K134 VanDerWaalsContact C-N 3.35Å |
| 135 | H | 97 | Very high | 96.9 | Very high | 60 Ų | 60 | 35.4 Ų | 35.4 | 28% | 0.278 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 6.2 | -180 | -62.4 | -85 | 0 | 0 | 0 | 113.4 | D51 K54 E58 A133 | D51-H135 HydrophobicContact CB-CB 3.79Å; D51-H135 WeakPolarHBondContact CB-O 3.29Å; K54-H135 HydrophobicContact CB-CB 4.41Å; K54-H135 VanDerWaalsContact CB-CD2 3.46Å; K54-H135 WeakPolarHBondContact CB-CD2 3.42Å; K54-H135 HydrophobicContact CD-CB 4.33Å; E58-H135 IonicContact OE1-CE1 3.6Å; E58-H135 IonicContact OE1-NE2 3.11Å; E58-H135 PolarHBondContact OE1-NE2 3.19Å; E58-H135 IonicContact OE2-CD2 3.83Å; E58-H135 IonicContact OE2-CE1 3.6Å; E58-H135 IonicContact OE2-NE2 3.6Å; E58-H135 PolarHBondContact OE2-NE2 3.35Å; A133-H135 PolarHBondContact O-N 3.23Å; A133-H135 VanDerWaalsContact O-N 3.08Å |
| 136 | T | 97.9 | Very high | 96.4 | Very high | 33 Ų | 33 | 37.7 Ų | 37.7 | 20% | 0.202 | 21% | 0.207 | C | C | . | . | S | Bend | trans | -111.1 | 165.9 | -177.7 | 76 | 0 | 0 | 0 | 0 | 111.9 | D51 I52 A133 I138 | D51-T136 HydrophobicContact CB-CG2 3.83Å; I52-T136 HydrophobicContact CD1-CG2 3.64Å; I52-T136 HydrophobicContact CG1-CG2 4.38Å; A133-T136 WeakPolarHBondContact O-CB 3.5Å; A133-T136 PolarHBondContact O-N 3.05Å; A133-T136 PolarHBondContact O-OG1 2.92Å; T136-I138 HydrophobicContact CG2-CD1 4.3Å; T136-I138 PolarHBondContact O-N 3.46Å; T136-I138 WeakPolarHBondContact OG1-CB 3.33Å; T136-I138 WeakPolarHBondContact OG1-CG1 3.47Å; T136-I138 PolarHBondContact OG1-N 2.8Å |
| 137 | A | 97.8 | Very high | 95.9 | Very high | 57 Ų | 57 | 39.6 Ų | 39.6 | 47% | 0.471 | 22% | 0.219 | S | C | . | . | trans | -83.7 | 6 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | T105 | T105-A137 HydrophobicContact CG2-CB 3.99Š| ||
| 138 | I | 98.7 | Very high | 95.5 | Very high | 18 Ų | 18 | 41.6 Ų | 41.6 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | trans | -62.6 | 139 | -177.7 | -60.2 | 170.7 | 0 | 0 | 0 | 109.7 | L100 I103 T105 A133 T136 I140 H161 V162 | L100-I138 HydrophobicContact CB-CD1 4.13Å; L100-I138 HydrophobicContact CD2-CD1 4.07Å; L100-I138 HydrophobicContact CD2-CG2 4.02Å; L100-I138 WeakPolarHBondContact O-CD1 3.47Å; I103-I138 HydrophobicContact CB-CD1 3.9Å; I103-I138 HydrophobicContact CB-CG1 4.05Å; I103-I138 HydrophobicContact CG1-CD1 4.19Å; I103-I138 HydrophobicContact CG1-CG2 4.35Å; I103-I138 HydrophobicContact CG2-CD1 4.37Å; I103-I138 HydrophobicContact CG2-CG1 3.94Å; I103-I138 HydrophobicContact CG2-CG2 4.3Å; T105-I138 HydrophobicContact CG2-CG1 3.72Å; A133-I138 HydrophobicContact CB-CB 4.35Å; T136-I138 HydrophobicContact CG2-CD1 4.3Å; T136-I138 PolarHBondContact O-N 3.46Å; T136-I138 WeakPolarHBondContact OG1-CB 3.33Å; T136-I138 WeakPolarHBondContact OG1-CG1 3.47Å; T136-I138 PolarHBondContact OG1-N 2.8Å; I138-I140 HydrophobicContact CG2-CG1 4.09Å; I138-H161 HydrophobicContact CG2-CB 4.2Å; I138-V162 HydrophobicContact CG2-CG2 4.02Å | ||
| 139 | K | 98.3 | Very high | 95.2 | Very high | 102 Ų | 102 | 43.1 Ų | 43.1 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | trans | -118.5 | 110.5 | -175.2 | -61.4 | -55.5 | 178.1 | -169.4 | 0 | 108.1 | T159 H161 V162 | K139-T159 WeakPolarHBondContact CB-O 3.44Å; K139-H161 PolarHBondContact N-ND1 3.34Å; K139-H161 PolarHBondContact O-N 2.82Å; K139-V162 PolarHBondContact O-N 3.38Å | ||
| 140 | I | 98.6 | Very high | 94.9 | Very high | 19 Ų | 19 | 50.1 Ų | 50.1 | 10% | 0.097 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.1 | 142.6 | -176.3 | -55.2 | 171.4 | 0 | 0 | 0 | 107.9 | L100 C129 I130 A133 I138 R155 V162 I164 | L100-I140 HydrophobicContact CD2-CD1 4.05Å; C129-I140 VanDerWaalsContact C-CD1 3.42Å; C129-I140 HydrophobicContact CB-CD1 3.6Å; C129-I140 WeakPolarHBondContact O-CD1 3.42Å; I130-I140 HydrophobicContact CG1-CB 4.25Å; I130-I140 HydrophobicContact CG1-CD1 4.01Å; A133-I140 HydrophobicContact CB-CD1 4.02Å; I138-I140 HydrophobicContact CG2-CG1 4.09Å; I140-R155 PolarHBondContact O-NH2 2.62Å; I140-R155 VanDerWaalsContact O-NH2 3.08Å; I140-V162 WeakPolarHBondContact CA-O 3.23Å; I140-V162 HydrophobicContact CG1-CB 4.24Å; I140-I164 HydrophobicContact CG2-CD1 3.55Å; I140-I164 HydrophobicContact CG2-CG1 4.06Å |
| 141 | M | 97.7 | Very high | 94.6 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131 | 129.9 | 173.5 | 173.5 | 175.3 | -179.2 | 0 | 0 | 109.8 | V143 D152 R155 L156 V160 V162 L163 I164 | M141-V143 HydrophobicContact CE-CG2 4Å; M141-V143 HydrophobicContact CG-CG2 3.95Å; M141-V143 HydrophobicContact SD-CG2 4.31Å; M141-D152 HydrophobicContact CE-CB 3.8Å; M141-R155 HydrophobicContact CB-CG 4.21Å; M141-R155 HydrophobicContact CE-CB 3.96Å; M141-R155 HydrophobicContact CE-CG 4.01Å; M141-R155 HydrophobicContact CG-CG 3.74Å; M141-R155 HydrophobicContact SD-CB 4.08Å; M141-R155 HydrophobicContact SD-CG 3.53Å; M141-R155 VanDerWaalsContact SD-CG 3.53Å; M141-L156 HydrophobicContact CE-CD1 4.48Å; M141-L156 HydrophobicContact CE-CD2 4.3Å; M141-L156 HydrophobicContact CE-CG 3.94Å; M141-L156 HydrophobicContact SD-CD2 3.74Å; M141-L156 HydrophobicContact SD-CG 3.96Å; M141-V160 HydrophobicContact CB-CB 4.47Å; M141-V160 HydrophobicContact CB-CG1 3.61Å; M141-V160 HydrophobicContact CB-CG2 3.93Å; M141-V160 HydrophobicContact SD-CG2 3.89Å; M141-V162 PolarHBondContact N-O 2.59Å; M141-L163 HydrophobicContact CB-CD2 3.97Å; M141-L163 HydrophobicContact CG-CD2 4.15Å; M141-L163 WeakPolarHBondContact O-CA 3.35Å; M141-L163 HydrophobicContact SD-CD2 4.17Å; M141-I164 PolarHBondContact O-N 3Å |
| 142 | L | 97 | Very high | 94.4 | Very high | 46 Ų | 46 | 46.9 Ų | 46.9 | 24% | 0.241 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 134.1 | 170.7 | 175.9 | 68.1 | 0 | 0 | 0 | 109.6 | A122 L123 I144 I164 | A122-L142 HydrophobicContact CB-CD1 3.54Å; L123-L142 HydrophobicContact CD2-CD2 3.26Å; L123-L142 HydrophobicContact CG-CD2 3.79Å; L142-I144 HydrophobicContact CD1-CG2 3.81Å; L142-I144 HydrophobicContact CD2-CD1 4.18Å; L142-I144 HydrophobicContact CD2-CG1 4.39Å; L142-I144 HydrophobicContact CG-CG1 4.33Å; L142-I144 HydrophobicContact CG-CG2 4.24Å; L142-I164 CarbonylContact C-O 3.3Å; L142-I164 VanDerWaalsContact CA-O 3.32Å; L142-I164 WeakPolarHBondContact CA-O 3.48Å |
| 143 | V | 95.6 | Very high | 94.2 | Very high | 0 Ų | 0 | 50.6 Ų | 50.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 100.5 | -178 | -180 | 0 | 0 | 0 | 0 | 110 | M141 L163 I164 G165 T166 R169 L170 L173 | M141-V143 HydrophobicContact CE-CG2 4Å; M141-V143 HydrophobicContact CG-CG2 3.95Å; M141-V143 HydrophobicContact SD-CG2 4.31Å; V143-L163 HydrophobicContact CG2-CD2 3.77Å; V143-I164 PolarHBondContact N-O 3.14Å; V143-G165 CarbonylContact O-C 3.52Å; V143-G165 WeakPolarHBondContact O-CA 3.47Å; V143-T166 PolarHBondContact O-N 3.02Å; V143-T166 VanDerWaalsContact O-N 3.13Å; V143-R169 HydrophobicContact CG1-CB 3.93Å; V143-R169 HydrophobicContact CG1-CG 3.35Å; V143-L170 HydrophobicContact CG1-CB 4.4Å; V143-L173 HydrophobicContact CG1-CD1 3.6Å; V143-L173 HydrophobicContact CG2-CD1 4.32Å |
| 144 | I | 94.4 | Very high | 94 | Very high | 4 Ų | 4 | 55.1 Ų | 55.1 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | trans | -133.9 | 151 | -176.5 | 55.2 | 168.5 | 0 | 0 | 0 | 111.8 | R119 A122 L123 L142 T147 T166 | R119-I144 HydrophobicContact CB-CB 4.19Å; R119-I144 HydrophobicContact CB-CD1 4.13Å; R119-I144 HydrophobicContact CB-CG2 4.13Å; R119-I144 HydrophobicContact CG-CB 4Å; R119-I144 HydrophobicContact CG-CG2 4.23Å; A122-I144 HydrophobicContact CB-CG2 3.57Å; L123-I144 HydrophobicContact CD1-CD1 4.43Å; L123-I144 HydrophobicContact CG-CD1 4.38Å; L142-I144 HydrophobicContact CD1-CG2 3.81Å; L142-I144 HydrophobicContact CD2-CD1 4.18Å; L142-I144 HydrophobicContact CD2-CG1 4.39Å; L142-I144 HydrophobicContact CG-CG1 4.33Å; L142-I144 HydrophobicContact CG-CG2 4.24Å; I144-T147 HydrophobicContact CD1-CG2 4.08Å; I144-T147 HydrophobicContact CG1-CG2 3.86Å; I144-T147 PolarHBondContact O-OG1 3.14Å; I144-T166 HydrophobicContact CG2-CG2 4.34Å | ||
| 145 | G | 89 | Confident | 93.8 | Very high | 12 Ų | 12 | 51.7 Ų | 51.7 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | 164.3 | 172.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | R119 T147 | R119-G145 VanDerWaalsContact CD-O 3.23Å; R119-G145 WeakPolarHBondContact CD-O 3.48Å; R119-G145 PolarHBondContact NE-O 3.21Å; R119-G145 PolarHBondContact NH1-O 3.06Å; G145-T147 PolarHBondContact O-N 3.37Å |
| 146 | G | 86 | Confident | 93.7 | Very high | 48 Ų | 48 | 50.9 Ų | 50.9 | 50% | 0.495 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 77 | 4.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 147 | T | 86.9 | Confident | 93.5 | Very high | 48 Ų | 48 | 54 Ų | 54 | 29% | 0.294 | 30% | 0.301 | S | S | . | . | S | Bend | trans | -99.5 | 169.2 | 167 | 59.7 | 0 | 0 | 0 | 0 | 110.4 | I144 G145 R169 | I144-T147 HydrophobicContact CD1-CG2 4.08Å; I144-T147 HydrophobicContact CG1-CG2 3.86Å; I144-T147 PolarHBondContact O-OG1 3.14Å; G145-T147 PolarHBondContact O-N 3.37Å; T147-R169 PolarHBondContact O-NH2 2.97Å; T147-R169 PolarHBondContact OG1-NH2 2.86Å |
| 148 | L | 88 | Confident | 93.3 | Very high | 108 Ų | 108 | 57.2 Ų | 57.2 | 57% | 0.565 | 31% | 0.306 | S | S | * | . | trans | -76.6 | 129.5 | 175.7 | -61.4 | 174.7 | 0 | 0 | 0 | 109.8 | K150 D151 | L148-K150 PolarHBondContact O-N 3.31Å; L148-D151 PolarHBondContact O-N 3.33Å; L148-D151 VanDerWaalsContact O-N 3.08Å | ||
| 149 | L | 90 | Very high | 93.2 | Very high | 46 Ų | 46 | 58.5 Ų | 58.5 | 24% | 0.241 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -58.4 | -30.7 | 175.1 | -179.9 | 63.8 | 0 | 0 | 0 | 111.7 | D151 D152 L153 L173 L178 | L149-D151 VanDerWaalsContact C-N 3.26Å; L149-D151 PolarHBondContact O-N 3.48Å; L149-D152 WeakPolarHBondContact O-CB 3.36Å; L149-D152 PolarHBondContact O-N 2.62Å; L149-L153 HydrophobicContact CG-CD1 4.46Å; L149-L153 HydrophobicContact CG-CG 4.42Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.08Å; L149-L173 HydrophobicContact CD1-CD2 3.44Å; L149-L173 VanDerWaalsContact CD1-CD2 3.44Å; L149-L178 HydrophobicContact CD1-CD1 4.22Å |
| 150 | K | 92.4 | Very high | 93.2 | Very high | 148 Ų | 148 | 54 Ų | 54 | 64% | 0.643 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -58 | -37.5 | 176.9 | -173.5 | 179.5 | 177.9 | -177.1 | 0 | 112.5 | L148 L153 I154 | L148-K150 PolarHBondContact O-N 3.31Å; K150-L153 PolarHBondContact O-N 3.11Å; K150-I154 HydrophobicContact CG-CD1 4.25Å; K150-I154 WeakPolarHBondContact O-CG1 3.32Å; K150-I154 PolarHBondContact O-N 2.88Å |
| 151 | D | 91.3 | Very high | 93.3 | Very high | 85 Ų | 85 | 53.3 Ų | 53.3 | 46% | 0.455 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -70 | -39.3 | 180 | -59.2 | -23.3 | 0 | 0 | 0 | 110.4 | L148 L149 I154 R155 | L148-D151 PolarHBondContact O-N 3.33Å; L148-D151 VanDerWaalsContact O-N 3.08Å; L149-D151 VanDerWaalsContact C-N 3.26Å; L149-D151 PolarHBondContact O-N 3.48Å; D151-I154 PolarHBondContact O-N 3.3Å; D151-R155 PolarHBondContact O-N 3.2Å |
| 152 | D | 93.3 | Very high | 93.3 | Very high | 12 Ų | 12 | 53.1 Ų | 53.1 | 6% | 0.064 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -61.2 | -44.9 | 173.4 | -62.3 | -31.2 | 0 | 0 | 0 | 110.4 | M141 L149 I154 R155 L156 R169 L173 | M141-D152 HydrophobicContact CE-CB 3.8Å; L149-D152 WeakPolarHBondContact O-CB 3.36Å; L149-D152 PolarHBondContact O-N 2.62Å; D152-I154 PolarHBondContact O-N 3.2Å; D152-R155 PolarHBondContact O-N 3Å; D152-L156 WeakPolarHBondContact O-CB 3.15Å; D152-L156 VanDerWaalsContact O-CG 3.25Å; D152-L156 WeakPolarHBondContact O-CG 3.4Å; D152-L156 PolarHBondContact O-N 3.16Å; D152-R169 IonicContact OD2-CZ 2.72Å; D152-R169 IonicContact OD2-NE 3.2Å; D152-R169 PolarHBondContact OD2-NE 3.27Å; D152-R169 IonicContact OD2-NH2 3.19Å; D152-R169 PolarHBondContact OD2-NH2 3.37Å; D152-L173 HydrophobicContact CB-CD2 4.5Å |
| 153 | L | 93.2 | Very high | 93.4 | Very high | 77 Ų | 77 | 50.9 Ų | 50.9 | 40% | 0.403 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.3 | -41.9 | 177.3 | -68.9 | 175.8 | 0 | 0 | 0 | 112.8 | L149 K150 R155 L156 S157 L178 | L149-L153 HydrophobicContact CG-CD1 4.46Å; L149-L153 HydrophobicContact CG-CG 4.42Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.08Å; K150-L153 PolarHBondContact O-N 3.11Å; L153-R155 VanDerWaalsContact C-N 3.33Å; L153-L156 PolarHBondContact O-N 3.37Å; L153-S157 PolarHBondContact O-N 2.84Å; L153-L178 HydrophobicContact CD2-CD1 3.8Å; L153-L178 HydrophobicContact CD2-CD2 3.73Å; L153-L178 HydrophobicContact CD2-CG 4.25Å |
| 154 | I | 93.7 | Very high | 93.5 | Very high | 102 Ų | 102 | 50.9 Ų | 50.9 | 52% | 0.523 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.4 | -44.4 | 176 | -68.6 | 164.1 | 0 | 0 | 0 | 109.7 | K150 D151 D152 L156 S157 | K150-I154 HydrophobicContact CG-CD1 4.25Å; K150-I154 WeakPolarHBondContact O-CG1 3.32Å; K150-I154 PolarHBondContact O-N 2.88Å; D151-I154 PolarHBondContact O-N 3.3Å; D152-I154 PolarHBondContact O-N 3.2Å; I154-L156 VanDerWaalsContact C-N 3.34Å; I154-L156 PolarHBondContact O-N 3.45Å; I154-S157 WeakPolarHBondContact O-CB 3.35Å; I154-S157 PolarHBondContact O-N 3.43Å; I154-S157 PolarHBondContact O-OG 3.19Å |
| 155 | R | 93.5 | Very high | 93.7 | Very high | 55 Ų | 55 | 50.7 Ų | 50.7 | 21% | 0.208 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.7 | -36.2 | 178.7 | -178.7 | 59.7 | -173.7 | 93.7 | 0.8 | 112.8 | I140 M141 D151 D152 L153 S157 Q158 T159 | I140-R155 PolarHBondContact O-NH2 2.62Å; I140-R155 VanDerWaalsContact O-NH2 3.08Å; M141-R155 HydrophobicContact CB-CG 4.21Å; M141-R155 HydrophobicContact CE-CB 3.96Å; M141-R155 HydrophobicContact CE-CG 4.01Å; M141-R155 HydrophobicContact CG-CG 3.74Å; M141-R155 HydrophobicContact SD-CB 4.08Å; M141-R155 HydrophobicContact SD-CG 3.53Å; M141-R155 VanDerWaalsContact SD-CG 3.53Å; D151-R155 PolarHBondContact O-N 3.2Å; D152-R155 PolarHBondContact O-N 3Å; L153-R155 VanDerWaalsContact C-N 3.33Å; R155-S157 PolarHBondContact O-N 2.85Å; R155-Q158 PolarHBondContact O-N 3.33Å; R155-Q158 VanDerWaalsContact O-N 3.16Å; R155-T159 PolarHBondContact NH1-O 2.68Å; R155-T159 PolarHBondContact NH2-O 3.22Å |
| 156 | L | 95.4 | Very high | 94 | Very high | 43 Ų | 43 | 50.9 Ų | 50.9 | 23% | 0.225 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.3 | -14.8 | 177.1 | -73.3 | 169.8 | 0 | 0 | 0 | 113.8 | M141 D152 L153 I154 Q158 V160 L173 L178 I179 | M141-L156 HydrophobicContact CE-CD1 4.48Å; M141-L156 HydrophobicContact CE-CD2 4.3Å; M141-L156 HydrophobicContact CE-CG 3.94Å; M141-L156 HydrophobicContact SD-CD2 3.74Å; M141-L156 HydrophobicContact SD-CG 3.96Å; D152-L156 WeakPolarHBondContact O-CB 3.15Å; D152-L156 VanDerWaalsContact O-CG 3.25Å; D152-L156 WeakPolarHBondContact O-CG 3.4Å; D152-L156 PolarHBondContact O-N 3.16Å; L153-L156 PolarHBondContact O-N 3.37Å; I154-L156 VanDerWaalsContact C-N 3.34Å; I154-L156 PolarHBondContact O-N 3.45Å; L156-Q158 PolarHBondContact O-N 3.1Å; L156-V160 HydrophobicContact CD2-CG2 4.45Å; L156-L173 HydrophobicContact CD1-CD1 4.46Å; L156-L173 HydrophobicContact CD1-CD2 4.46Å; L156-L178 HydrophobicContact CD1-CB 4.48Å; L156-I179 HydrophobicContact CD1-CG2 3.84Å; L156-I179 HydrophobicContact CD2-CG2 3.64Å; L156-I179 HydrophobicContact CG-CG2 4.41Å |
| 157 | S | 92.8 | Very high | 94.6 | Very high | 98 Ų | 98 | 48.7 Ų | 48.7 | 69% | 0.685 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.6 | -15.4 | 169.1 | 75.4 | 0 | 0 | 0 | 0 | 113 | L153 I154 R155 | L153-S157 PolarHBondContact O-N 2.84Å; I154-S157 WeakPolarHBondContact O-CB 3.35Å; I154-S157 PolarHBondContact O-N 3.43Å; I154-S157 PolarHBondContact O-OG 3.19Å; R155-S157 PolarHBondContact O-N 2.85Å |
| 158 | Q | 94.5 | Very high | 95 | Very high | 125 Ų | 125 | 48.9 Ų | 48.9 | 58% | 0.584 | 27% | 0.266 | S | S | * | . | S | Bend | trans | -108.7 | 159.6 | 177 | -62 | 176.6 | -19.1 | 0 | 0 | 110.4 | R155 L156 V160 | R155-Q158 PolarHBondContact O-N 3.33Å; R155-Q158 VanDerWaalsContact O-N 3.16Å; L156-Q158 PolarHBondContact O-N 3.1Å; Q158-V160 PolarHBondContact O-N 3.18Å |
| 159 | T | 96.7 | Very high | 95.4 | Very high | 45 Ų | 45 | 45.1 Ų | 45.1 | 28% | 0.276 | 24% | 0.244 | S | C | . | . | trans | -54.7 | 136.3 | 175.2 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | N108 K139 R155 H161 | N108-T159 HydrophobicContact CB-CG2 3.84Å; N108-T159 WeakPolarHBondContact OD1-CG2 3.16Å; N108-T159 PolarHBondContact OD1-OG1 2.81Å; K139-T159 WeakPolarHBondContact CB-O 3.44Å; R155-T159 PolarHBondContact NH1-O 2.68Å; R155-T159 PolarHBondContact NH2-O 3.22Å; T159-H161 WeakPolarHBondContact CG2-NE2 3.34Å | ||
| 160 | V | 98.3 | Very high | 95.7 | Very high | 9 Ų | 9 | 42.9 Ų | 42.9 | 6% | 0.055 | 23% | 0.233 | C | C | . | . | trans | -132 | 121.6 | 172.6 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | K109 I110 M141 L156 Q158 L163 | K109-V160 CarbonylContact C-O 3.52Å; I110-V160 WeakPolarHBondContact CA-O 3.43Å; I110-V160 HydrophobicContact CG1-CB 4.34Å; I110-V160 HydrophobicContact CG1-CG1 4.2Å; I110-V160 PolarHBondContact N-O 3.21Å; M141-V160 HydrophobicContact CB-CB 4.47Å; M141-V160 HydrophobicContact CB-CG1 3.61Å; M141-V160 HydrophobicContact CB-CG2 3.93Å; M141-V160 HydrophobicContact SD-CG2 3.89Å; L156-V160 HydrophobicContact CD2-CG2 4.45Å; Q158-V160 PolarHBondContact O-N 3.18Å; V160-L163 HydrophobicContact CG1-CD2 3.6Å; V160-L163 HydrophobicContact CG1-CG 4.3Å | ||
| 161 | H | 98.8 | Very high | 96 | Very high | 4 Ų | 4 | 37 Ų | 37 | 2% | 0.019 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -98.9 | -36.5 | 177.8 | -59.3 | 126.5 | 0 | 0 | 0 | 111.9 | I103 I107 Q111 A112 I138 K139 T159 | I103-H161 HydrophobicContact CG2-CB 3.73Å; I107-H161 PolarHBondContact O-CD2 2.83Å; I107-H161 PolarHBondContact O-NE2 3.36Å; Q111-H161 PolarHBondContact N-O 3.35Å; A112-H161 PolarHBondContact N-O 3.45Å; I138-H161 HydrophobicContact CG2-CB 4.2Å; K139-H161 PolarHBondContact N-ND1 3.34Å; K139-H161 PolarHBondContact O-N 2.82Å; T159-H161 WeakPolarHBondContact CG2-NE2 3.34Å |
| 162 | V | 98.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.196 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.6 | -177.6 | -173.6 | 0 | 0 | 0 | 0 | 110.2 | V99 L100 I103 A112 I114 I138 K139 I140 M141 I164 | V99-V162 HydrophobicContact CG1-CG1 4.33Å; V99-V162 HydrophobicContact CG1-CG2 4.47Å; L100-V162 HydrophobicContact CD2-CG2 4.48Å; I103-V162 HydrophobicContact CD1-CG2 3.7Å; I103-V162 HydrophobicContact CG1-CG2 3.88Å; A112-V162 HydrophobicContact CB-CG1 4.31Å; A112-V162 HydrophobicContact CB-CG2 4.35Å; A112-V162 WeakPolarHBondContact O-CA 3.44Å; I114-V162 HydrophobicContact CD1-CG1 4.48Å; I138-V162 HydrophobicContact CG2-CG2 4.02Å; K139-V162 PolarHBondContact O-N 3.38Å; I140-V162 WeakPolarHBondContact CA-O 3.23Å; I140-V162 HydrophobicContact CG1-CB 4.24Å; M141-V162 PolarHBondContact N-O 2.59Å; V162-I164 HydrophobicContact CG1-CD1 4.38Å; V162-I164 HydrophobicContact CG1-CG1 3.98Å |
| 163 | L | 98.7 | Very high | 96.5 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 134.7 | 167.8 | -65.3 | -178.1 | 0 | 0 | 0 | 110 | I110 A112 I113 I114 M141 V143 V160 L170 I179 I181 | I110-L163 HydrophobicContact CD1-CD1 3.74Å; I110-L163 HydrophobicContact CD1-CD2 4.48Å; I110-L163 HydrophobicContact CD1-CG 4.1Å; I110-L163 HydrophobicContact CG1-CD1 4.36Å; I110-L163 HydrophobicContact CG1-CG 4.23Å; I110-L163 HydrophobicContact CG2-CD1 4.11Å; I110-L163 HydrophobicContact CG2-CG 3.98Å; A112-L163 PolarHBondContact O-N 2.8Å; I113-L163 CarbonylContact C-O 3.56Å; I113-L163 WeakPolarHBondContact CA-O 3.39Å; I113-L163 HydrophobicContact CG1-CB 4.21Å; I114-L163 PolarHBondContact N-O 2.53Å; M141-L163 HydrophobicContact CB-CD2 3.97Å; M141-L163 HydrophobicContact CG-CD2 4.15Å; M141-L163 WeakPolarHBondContact O-CA 3.35Å; M141-L163 HydrophobicContact SD-CD2 4.17Å; V143-L163 HydrophobicContact CG2-CD2 3.77Å; V160-L163 HydrophobicContact CG1-CD2 3.6Å; V160-L163 HydrophobicContact CG1-CG 4.3Å; L163-L170 HydrophobicContact CB-CD1 4.07Å; L163-L170 HydrophobicContact CD1-CD1 3.92Å; L163-L170 HydrophobicContact CD1-CG 4.25Å; L163-I179 HydrophobicContact CD1-CD1 3.97Å; L163-I181 HydrophobicContact CD1-CG2 4.43Å |
| 164 | I | 98.8 | Very high | 96.7 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 18% | 0.183 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125.5 | 174.7 | -55.5 | 179.2 | 0 | 0 | 0 | 107 | I114 T125 C129 I140 M141 L142 V143 V162 | I114-I164 HydrophobicContact CB-CG1 4.11Å; I114-I164 HydrophobicContact CB-CG2 4.29Å; I114-I164 HydrophobicContact CD1-CD1 4.11Å; I114-I164 HydrophobicContact CD1-CG1 4.12Å; I114-I164 HydrophobicContact CG1-CG1 4.39Å; I114-I164 HydrophobicContact CG2-CG2 4.47Å; I114-I164 WeakPolarHBondContact O-CA 3.48Å; T125-I164 HydrophobicContact CG2-CG2 3.88Å; C129-I164 HydrophobicContact CB-CD1 3.76Å; I140-I164 HydrophobicContact CG2-CD1 3.55Å; I140-I164 HydrophobicContact CG2-CG1 4.06Å; M141-I164 PolarHBondContact O-N 3Å; L142-I164 CarbonylContact C-O 3.3Å; L142-I164 VanDerWaalsContact CA-O 3.32Å; L142-I164 WeakPolarHBondContact CA-O 3.48Å; V143-I164 PolarHBondContact N-O 3.14Å; V162-I164 HydrophobicContact CG1-CD1 4.38Å; V162-I164 HydrophobicContact CG1-CG1 3.98Å |
| 165 | G | 97.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -179.8 | 178.8 | -170.5 | 0 | 0 | 0 | 0 | 0 | 117.3 | I114 L115 V116 V143 | I114-G165 PolarHBondContact O-N 3.02Å; L115-G165 WeakPolarHBondContact CA-O 3.12Å; V116-G165 PolarHBondContact N-O 3.45Å; V143-G165 CarbonylContact O-C 3.52Å; V143-G165 WeakPolarHBondContact O-CA 3.47Å |
| 166 | T | 96.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | trans | -91 | 140.7 | 173.2 | 55.3 | 0 | 0 | 0 | 0 | 110.4 | R119 V143 I144 G168 R169 | R119-T166 HydrophobicContact CG-CG2 3.92Å; V143-T166 PolarHBondContact O-N 3.02Å; V143-T166 VanDerWaalsContact O-N 3.13Å; I144-T166 HydrophobicContact CG2-CG2 4.34Å; T166-G168 VanDerWaalsContact C-N 3.35Å; T166-G168 PolarHBondContact O-N 3.2Å; T166-R169 PolarHBondContact O-N 3.02Å | ||
| 167 | P | 97.6 | Very high | 96.9 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -51.2 | -47 | -173.4 | -29.2 | 34.2 | 0 | 0 | 0 | 114.4 | R169 L170 V171 L195 V204 I207 | P167-R169 VanDerWaalsContact C-N 3.34Å; P167-R169 PolarHBondContact O-N 3.25Å; P167-L170 PolarHBondContact O-N 2.87Å; P167-V171 WeakPolarHBondContact O-CG2 3.5Å; P167-V171 PolarHBondContact O-N 3.28Å; P167-L195 HydrophobicContact CG-CD2 3.73Å; P167-V204 HydrophobicContact CG-CG2 4.01Å; P167-I207 HydrophobicContact CB-CD1 4.15Å |
| 168 | G | 95.7 | Very high | 97 | Very high | 51 Ų | 51 | 35.3 Ų | 35.3 | 53% | 0.526 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -57.3 | -39.1 | -173.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | T166 D172 | T166-G168 VanDerWaalsContact C-N 3.35Å; T166-G168 PolarHBondContact O-N 3.2Å; G168-D172 WeakPolarHBondContact O-CB 3.48Å; G168-D172 PolarHBondContact O-N 2.96Å; G168-D172 VanDerWaalsContact O-N 3.08Å |
| 169 | R | 95.8 | Very high | 97.2 | Very high | 29 Ų | 29 | 29.9 Ų | 29.9 | 11% | 0.109 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -75.3 | -36.2 | 176.4 | 178.6 | 60.1 | 123.2 | -156.9 | -14.2 | 111.9 | V143 T147 D152 T166 P167 V171 D172 L173 | V143-R169 HydrophobicContact CG1-CB 3.93Å; V143-R169 HydrophobicContact CG1-CG 3.35Å; T147-R169 PolarHBondContact O-NH2 2.97Å; T147-R169 PolarHBondContact OG1-NH2 2.86Å; D152-R169 IonicContact OD2-CZ 2.72Å; D152-R169 IonicContact OD2-NE 3.2Å; D152-R169 PolarHBondContact OD2-NE 3.27Å; D152-R169 IonicContact OD2-NH2 3.19Å; D152-R169 PolarHBondContact OD2-NH2 3.37Å; T166-R169 PolarHBondContact O-N 3.02Å; P167-R169 VanDerWaalsContact C-N 3.34Å; P167-R169 PolarHBondContact O-N 3.25Å; R169-V171 VanDerWaalsContact C-N 3.33Å; R169-D172 IonicContact NH1-OD2 2.83Å; R169-D172 PolarHBondContact NH1-OD2 3.11Å; R169-D172 PolarHBondContact O-N 3.31Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 3.21Å |
| 170 | L | 97.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.9 | -39.3 | 179.6 | -155.2 | 147.2 | 0 | 0 | 0 | 110.7 | I113 L115 V143 L163 P167 L173 L174 I179 I207 | I113-L170 HydrophobicContact CD1-CD2 4.19Å; I113-L170 HydrophobicContact CG2-CD1 3.72Å; L115-L170 HydrophobicContact CD2-CD1 4.16Å; V143-L170 HydrophobicContact CG1-CB 4.4Å; L163-L170 HydrophobicContact CB-CD1 4.07Å; L163-L170 HydrophobicContact CD1-CD1 3.92Å; L163-L170 HydrophobicContact CD1-CG 4.25Å; P167-L170 PolarHBondContact O-N 2.87Å; L170-L173 PolarHBondContact O-N 3.07Å; L170-L174 WeakPolarHBondContact O-CB 3.5Å; L170-L174 PolarHBondContact O-N 2.91Å; L170-I179 HydrophobicContact CD2-CD1 3.83Å; L170-I179 HydrophobicContact CG-CD1 4.02Å; L170-I207 HydrophobicContact CB-CD1 3.98Å; L170-I207 HydrophobicContact CD2-CB 4.45Å; L170-I207 HydrophobicContact CD2-CD1 3.79Å; L170-I207 HydrophobicContact CD2-CG1 3.68Å; L170-I207 HydrophobicContact CD2-CG2 3.94Å; L170-I207 HydrophobicContact CG-CD1 4.36Å |
| 171 | V | 97.9 | Very high | 97.2 | Very high | 23 Ų | 23 | 30.6 Ų | 30.6 | 14% | 0.139 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.1 | -44.9 | 170.1 | 169.5 | 0 | 0 | 0 | 0 | 112.1 | P167 R169 L173 L174 S175 G203 E206 I207 | P167-V171 WeakPolarHBondContact O-CG2 3.5Å; P167-V171 PolarHBondContact O-N 3.28Å; R169-V171 VanDerWaalsContact C-N 3.33Å; V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 3.33Å; V171-L174 PolarHBondContact O-N 3.22Å; V171-S175 WeakPolarHBondContact O-CB 3.07Å; V171-S175 PolarHBondContact O-N 3.07Å; V171-S175 PolarHBondContact O-OG 3.4Å; V171-G203 WeakPolarHBondContact CG2-O 3.33Å; V171-E206 VanDerWaalsContact CG1-OE2 3.31Å; V171-E206 WeakPolarHBondContact CG1-OE2 3.43Å; V171-E206 HydrophobicContact CG2-CB 4.35Å; V171-I207 HydrophobicContact CG2-CD1 4.07Å; V171-I207 HydrophobicContact CG2-CG1 3.87Å |
| 172 | D | 96.9 | Very high | 97.1 | Very high | 37 Ų | 37 | 33 Ų | 33 | 20% | 0.198 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -58.3 | -40.8 | 175.8 | 178.2 | 50 | 0 | 0 | 0 | 111.8 | G168 R169 S175 R176 | G168-D172 WeakPolarHBondContact O-CB 3.48Å; G168-D172 PolarHBondContact O-N 2.96Å; G168-D172 VanDerWaalsContact O-N 3.08Å; R169-D172 IonicContact NH1-OD2 2.83Å; R169-D172 PolarHBondContact NH1-OD2 3.11Å; R169-D172 PolarHBondContact O-N 3.31Å; D172-S175 PolarHBondContact O-OG 3.45Å; D172-R176 WeakPolarHBondContact O-CB 3.47Å; D172-R176 VanDerWaalsContact O-CD 3.3Å; D172-R176 WeakPolarHBondContact O-CD 3.33Å; D172-R176 WeakPolarHBondContact O-CG 3.08Å; D172-R176 PolarHBondContact O-N 2.83Å; D172-R176 IonicContact OD1-CZ 3.55Å; D172-R176 VanDerWaalsContact OD1-CZ 3.26Å; D172-R176 IonicContact OD1-NE 3.12Å; D172-R176 PolarHBondContact OD1-NE 2.8Å; D172-R176 IonicContact OD1-NH2 3.57Å; D172-R176 PolarHBondContact OD1-NH2 2.88Å; D172-R176 IonicContact OD2-NE 3.35Å |
| 173 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 38.4 Ų | 38.4 | 0% | 0 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.6 | -40.7 | 174.9 | -66 | 178.4 | 0 | 0 | 0 | 112.5 | V143 L149 D152 L156 R169 L170 V171 G177 L178 I179 | V143-L173 HydrophobicContact CG1-CD1 3.6Å; V143-L173 HydrophobicContact CG2-CD1 4.32Å; L149-L173 HydrophobicContact CD1-CD2 3.44Å; L149-L173 VanDerWaalsContact CD1-CD2 3.44Å; D152-L173 HydrophobicContact CB-CD2 4.5Å; L156-L173 HydrophobicContact CD1-CD1 4.46Å; L156-L173 HydrophobicContact CD1-CD2 4.46Å; R169-L173 WeakPolarHBondContact O-CG 3.46Å; R169-L173 PolarHBondContact O-N 3.21Å; L170-L173 PolarHBondContact O-N 3.07Å; V171-L173 VanDerWaalsContact C-N 3.3Å; V171-L173 PolarHBondContact O-N 3.33Å; L173-G177 PolarHBondContact O-N 3.47Å; L173-L178 HydrophobicContact CB-CB 4.49Å; L173-L178 HydrophobicContact CD2-CB 4.27Å; L173-L178 HydrophobicContact CD2-CD1 3.82Å; L173-L178 WeakPolarHBondContact O-CB 3.28Å; L173-L178 PolarHBondContact O-N 3.46Å; L173-I179 HydrophobicContact CB-CD1 3.87Å; L173-I179 HydrophobicContact CB-CG1 3.9Å; L173-I179 HydrophobicContact CB-CG2 4.08Å; L173-I179 HydrophobicContact CD1-CG2 4.23Å |
| 174 | L | 97 | Very high | 97 | Very high | 36 Ų | 36 | 38.4 Ų | 38.4 | 19% | 0.188 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -67 | -49.6 | -178.6 | -176.9 | 63.5 | 0 | 0 | 0 | 111.9 | L170 V171 R176 G177 I179 I181 | L170-L174 WeakPolarHBondContact O-CB 3.5Å; L170-L174 PolarHBondContact O-N 2.91Å; V171-L174 PolarHBondContact O-N 3.22Å; L174-R176 PolarHBondContact O-N 3.27Å; L174-G177 PolarHBondContact O-N 2.88Å; L174-I179 HydrophobicContact CB-CD1 4.26Å; L174-I179 HydrophobicContact CB-CG1 4.17Å; L174-I179 HydrophobicContact CD1-CG1 4.31Å; L174-I181 HydrophobicContact CD1-CD1 3.89Å; L174-I181 HydrophobicContact CD1-CG1 3.92Å; L174-I181 HydrophobicContact CD2-CD1 3.77Å; L174-I181 HydrophobicContact CG-CD1 4.44Å |
| 175 | S | 96.4 | Very high | 96.9 | Very high | 82 Ų | 82 | 44.2 Ų | 44.2 | 57% | 0.573 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.9 | -28.5 | 179.9 | 58.5 | 0 | 0 | 0 | 0 | 113.2 | V171 D172 G177 | V171-S175 WeakPolarHBondContact O-CB 3.07Å; V171-S175 PolarHBondContact O-N 3.07Å; V171-S175 PolarHBondContact O-OG 3.4Å; D172-S175 PolarHBondContact O-OG 3.45Å; S175-G177 VanDerWaalsContact C-N 3.3Å |
| 176 | R | 96 | Very high | 97 | Very high | 152 Ų | 152 | 44.6 Ų | 44.6 | 57% | 0.574 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.5 | -3.1 | 173.2 | -67.1 | 174.3 | -168.5 | -88.9 | -4.7 | 114 | D172 L174 L178 | D172-R176 WeakPolarHBondContact O-CB 3.47Å; D172-R176 VanDerWaalsContact O-CD 3.3Å; D172-R176 WeakPolarHBondContact O-CD 3.33Å; D172-R176 WeakPolarHBondContact O-CG 3.08Å; D172-R176 PolarHBondContact O-N 2.83Å; D172-R176 IonicContact OD1-CZ 3.55Å; D172-R176 VanDerWaalsContact OD1-CZ 3.26Å; D172-R176 IonicContact OD1-NE 3.12Å; D172-R176 PolarHBondContact OD1-NE 2.8Å; D172-R176 IonicContact OD1-NH2 3.57Å; D172-R176 PolarHBondContact OD1-NH2 2.88Å; D172-R176 IonicContact OD2-NE 3.35Å; L174-R176 PolarHBondContact O-N 3.27Å; R176-L178 HydrophobicContact CB-CD1 3.87Å; R176-L178 HydrophobicContact CB-CG 3.75Å; R176-L178 PolarHBondContact O-N 3.36Å |
| 177 | G | 95.2 | Very high | 97.1 | Very high | 64 Ų | 64 | 43.9 Ų | 43.9 | 66% | 0.66 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.5 | 22.3 | -175 | 0 | 0 | 0 | 0 | 0 | 114 | L173 L174 S175 | L173-G177 PolarHBondContact O-N 3.47Å; L174-G177 PolarHBondContact O-N 2.88Å; S175-G177 VanDerWaalsContact C-N 3.3Å |
| 178 | L | 95.8 | Very high | 97.2 | Very high | 66 Ų | 66 | 43.8 Ų | 43.8 | 35% | 0.346 | 25% | 0.247 | S | C | . | . | trans | -84.3 | -19.1 | -178.3 | -62.7 | 174.3 | 0 | 0 | 0 | 112.9 | L149 L153 L156 L173 R176 | L149-L178 HydrophobicContact CD1-CD1 4.22Å; L153-L178 HydrophobicContact CD2-CD1 3.8Å; L153-L178 HydrophobicContact CD2-CD2 3.73Å; L153-L178 HydrophobicContact CD2-CG 4.25Å; L156-L178 HydrophobicContact CD1-CB 4.48Å; L173-L178 HydrophobicContact CB-CB 4.49Å; L173-L178 HydrophobicContact CD2-CB 4.27Å; L173-L178 HydrophobicContact CD2-CD1 3.82Å; L173-L178 WeakPolarHBondContact O-CB 3.28Å; L173-L178 PolarHBondContact O-N 3.46Å; R176-L178 HydrophobicContact CB-CD1 3.87Å; R176-L178 HydrophobicContact CB-CG 3.75Å; R176-L178 PolarHBondContact O-N 3.36Å | ||
| 179 | I | 97.2 | Very high | 97.3 | Very high | 11 Ų | 11 | 41.3 Ų | 41.3 | 6% | 0.056 | 22% | 0.222 | C | C | . | . | trans | -126.9 | 142.6 | 174.4 | 59.3 | 174.2 | 0 | 0 | 0 | 110.7 | I110 L156 L163 L170 L173 L174 I181 | I110-I179 HydrophobicContact CD1-CB 4.08Å; I110-I179 HydrophobicContact CD1-CG2 4.33Å; L156-I179 HydrophobicContact CD1-CG2 3.84Å; L156-I179 HydrophobicContact CD2-CG2 3.64Å; L156-I179 HydrophobicContact CG-CG2 4.41Å; L163-I179 HydrophobicContact CD1-CD1 3.97Å; L170-I179 HydrophobicContact CD2-CD1 3.83Å; L170-I179 HydrophobicContact CG-CD1 4.02Å; L173-I179 HydrophobicContact CB-CD1 3.87Å; L173-I179 HydrophobicContact CB-CG1 3.9Å; L173-I179 HydrophobicContact CB-CG2 4.08Å; L173-I179 HydrophobicContact CD1-CG2 4.23Å; L174-I179 HydrophobicContact CB-CD1 4.26Å; L174-I179 HydrophobicContact CB-CG1 4.17Å; L174-I179 HydrophobicContact CD1-CG1 4.31Å; I179-I181 HydrophobicContact CD1-CG2 3.97Å; I179-I181 HydrophobicContact CG1-CG2 4.27Å | ||
| 180 | D | 96.6 | Very high | 97.4 | Very high | 67 Ų | 67 | 40 Ų | 40 | 36% | 0.358 | 22% | 0.217 | S | C | . | . | trans | -111.1 | 108.4 | 172.1 | 168.5 | 21.7 | 0 | 0 | 0 | 108.5 | K109 S182 | K109-D180 IonicContact NZ-OD2 3.78Å; K109-D180 PolarHBondContact NZ-OD2 3.3Å; D180-S182 WeakPolarHBondContact OD1-CB 3.46Å; D180-S182 PolarHBondContact OD1-N 3.19Å; D180-S182 PolarHBondContact OD1-OG 3.21Å | ||
| 181 | I | 98.2 | Very high | 97.2 | Very high | 2 Ų | 2 | 40.1 Ų | 40.1 | 1% | 0.01 | 22% | 0.218 | C | C | . | . | trans | -105.6 | 12.2 | -179.7 | 67 | 179.2 | 0 | 0 | 0 | 112.2 | I110 I113 L163 L174 I179 K183 C184 I207 V211 | I110-I181 HydrophobicContact CD1-CG2 4.13Å; I110-I181 HydrophobicContact CG2-CG2 4.28Å; I113-I181 HydrophobicContact CD1-CB 4.15Å; I113-I181 HydrophobicContact CD1-CD1 4.12Å; I113-I181 HydrophobicContact CD1-CG2 3.93Å; L163-I181 HydrophobicContact CD1-CG2 4.43Å; L174-I181 HydrophobicContact CD1-CD1 3.89Å; L174-I181 HydrophobicContact CD1-CG1 3.92Å; L174-I181 HydrophobicContact CD2-CD1 3.77Å; L174-I181 HydrophobicContact CG-CD1 4.44Å; I179-I181 HydrophobicContact CD1-CG2 3.97Å; I179-I181 HydrophobicContact CG1-CG2 4.27Å; I181-K183 PolarHBondContact O-N 3.35Å; I181-K183 VanDerWaalsContact O-N 3.13Å; I181-C184 HydrophobicContact CB-CB 4.25Å; I181-C184 WeakPolarHBondContact O-CB 3.36Å; I181-C184 PolarHBondContact O-N 2.92Å; I181-I207 HydrophobicContact CD1-CG2 4.27Å; I181-V211 HydrophobicContact CB-CG1 4.13Å; I181-V211 HydrophobicContact CD1-CG1 3.72Å; I181-V211 HydrophobicContact CG1-CG1 3.97Å; I181-V211 WeakPolarHBondContact O-CA 3.23Å | ||
| 182 | S | 97 | Very high | 97.2 | Very high | 54 Ų | 54 | 39 Ų | 39 | 38% | 0.378 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -21.6 | -177.6 | 64.1 | 0 | 0 | 0 | 0 | 114.1 | D180 | D180-S182 WeakPolarHBondContact OD1-CB 3.46Å; D180-S182 PolarHBondContact OD1-N 3.19Å; D180-S182 PolarHBondContact OD1-OG 3.21Å |
| 183 | K | 97.2 | Very high | 97 | Very high | 115 Ų | 115 | 37.6 Ų | 37.6 | 50% | 0.5 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.3 | 5.2 | 175.2 | -61 | -57.8 | -177.6 | -173.9 | 0 | 113.6 | K109 I110 I181 K185 | K109-K183 HydrophobicContact CB-CB 4.11Å; K109-K183 HydrophobicContact CB-CG 4.43Å; K109-K183 HydrophobicContact CG-CG 4.33Å; I110-K183 CarbonylContact O-C 3.55Å; I110-K183 VanDerWaalsContact O-C 3.29Å; I181-K183 PolarHBondContact O-N 3.35Å; I181-K183 VanDerWaalsContact O-N 3.13Å; K183-K185 PolarHBondContact O-N 2.99Å |
| 184 | C | 98.5 | Very high | 96.8 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 22% | 0.217 | C | C | . | . | trans | -73.6 | 116.8 | 175.3 | -179.4 | 0 | 0 | 0 | 0 | 109.7 | I110 Q111 I113 I181 I186 V211 D212 | I110-C184 HydrophobicContact CG2-CB 4.48Å; I110-C184 WeakPolarHBondContact O-CA 3.22Å; I110-C184 PolarHBondContact O-N 2.78Å; Q111-C184 CarbonylContact O-C 3.2Å; Q111-C184 WeakPolarHBondContact O-CA 3.36Å; I113-C184 HydrophobicContact CD1-CB 4.43Å; I181-C184 HydrophobicContact CB-CB 4.25Å; I181-C184 WeakPolarHBondContact O-CB 3.36Å; I181-C184 PolarHBondContact O-N 2.92Å; C184-I186 PolarHBondContact SG-O 2.91Å; C184-I186 VanDerWaalsContact SG-O 3.33Å; C184-V211 HydrophobicContact CB-CB 4.09Å; C184-V211 HydrophobicContact CB-CG1 3.64Å; C184-D212 WeakPolarHBondContact O-CB 3.3Å; C184-D212 PolarHBondContact O-N 3.28Å; C184-D212 VanDerWaalsContact O-N 3.08Å | ||
| 185 | K | 97.8 | Very high | 96.8 | Very high | 122 Ų | 122 | 39.1 Ų | 39.1 | 53% | 0.53 | 21% | 0.208 | S | C | . | . | trans | -106.2 | -9.3 | -177.2 | -68.5 | -178 | 178.8 | -179.2 | 0 | 113.3 | Q111 K183 D212 R215 Q216 | Q111-K185 PolarHBondContact O-N 3.07Å; K183-K185 PolarHBondContact O-N 2.99Å; K185-D212 HydrophobicContact CG-CB 4.36Å; K185-R215 CarbonylContact O-C 3.29Å; K185-R215 WeakPolarHBondContact O-CA 3.21Å; K185-Q216 PolarHBondContact O-N 3.44Å | ||
| 186 | I | 98.7 | Very high | 96.8 | Very high | 8 Ų | 8 | 35.2 Ų | 35.2 | 4% | 0.041 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133 | 124.6 | -179.2 | -51.5 | 177.2 | 0 | 0 | 0 | 109.3 | V99 S102 Q111 A112 I113 C184 V188 Q216 L218 | V99-I186 HydrophobicContact CG2-CG2 3.91Å; S102-I186 VanDerWaalsContact CB-CD1 3.42Å; Q111-I186 PolarHBondContact O-N 3.22Å; A112-I186 CarbonylContact C-O 3.58Å; A112-I186 VanDerWaalsContact CA-O 3.29Å; A112-I186 WeakPolarHBondContact CA-O 3.2Å; A112-I186 HydrophobicContact CB-CB 4.18Å; I113-I186 PolarHBondContact N-O 3.18Å; C184-I186 PolarHBondContact SG-O 2.91Å; C184-I186 VanDerWaalsContact SG-O 3.33Å; I186-V188 HydrophobicContact CG2-CG2 4.36Å; I186-Q216 WeakPolarHBondContact CA-O 3.46Å; I186-Q216 HydrophobicContact CG1-CB 4.43Å; I186-L218 HydrophobicContact CG2-CD1 4.23Å; I186-L218 HydrophobicContact CG2-CG 4.48Å |
| 187 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 124.5 | 172.4 | -177.9 | 0 | 0 | 0 | 0 | 109.2 | I113 L189 L208 V211 Q216 V217 L218 | I113-V187 CarbonylContact O-C 3.58Å; I113-V187 WeakPolarHBondContact O-CA 3.27Å; V187-L189 HydrophobicContact CG1-CD2 4.16Å; V187-L208 HydrophobicContact CB-CD2 4.01Å; V187-L208 HydrophobicContact CG1-CD2 3.87Å; V187-L208 HydrophobicContact CG2-CD2 4.04Å; V187-V211 HydrophobicContact CG2-CB 4.46Å; V187-V211 HydrophobicContact CG2-CG1 4.1Å; V187-V211 HydrophobicContact CG2-CG2 4.05Å; V187-Q216 PolarHBondContact N-O 3.45Å; V187-V217 CarbonylContact O-C 3.6Å; V187-V217 WeakPolarHBondContact O-CA 3.49Å; V187-L218 PolarHBondContact O-N 3.04Å |
| 188 | V | 98.9 | Very high | 96.4 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 134.9 | 175.8 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | Y95 V99 I113 I114 L115 I186 L218 Y220 | Y95-V188 HydrophobicContact CD1-CG1 3.87Å; Y95-V188 HydrophobicContact CD2-CG1 3.81Å; Y95-V188 HydrophobicContact CD2-CG2 4.48Å; Y95-V188 HydrophobicContact CE1-CG1 4.39Å; Y95-V188 HydrophobicContact CE2-CG1 4.38Å; Y95-V188 HydrophobicContact CG-CG1 3.57Å; V99-V188 HydrophobicContact CG2-CG2 3.59Å; I113-V188 PolarHBondContact O-N 3.45Å; I114-V188 HydrophobicContact CB-CB 4.31Å; I114-V188 HydrophobicContact CG1-CB 4.08Å; I114-V188 HydrophobicContact CG1-CG2 4.06Å; I114-V188 HydrophobicContact CG2-CB 4.13Å; I114-V188 HydrophobicContact CG2-CG1 4.27Å; L115-V188 PolarHBondContact N-O 3.28Å; I186-V188 HydrophobicContact CG2-CG2 4.36Å; V188-L218 CarbonylContact C-O 3.56Å; V188-L218 VanDerWaalsContact CA-O 3.32Å; V188-L218 WeakPolarHBondContact CA-O 3.4Å; V188-L218 HydrophobicContact CG1-CB 4.48Å; V188-L218 HydrophobicContact CG2-CB 4.19Å; V188-L218 HydrophobicContact CG2-CD1 4.1Å; V188-L218 HydrophobicContact CG2-CG 4.49Å; V188-Y220 HydrophobicContact CG1-CD2 4.32Å |
| 189 | L | 98.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 103.8 | 169.7 | -51.4 | -173.9 | 0 | 0 | 0 | 108.8 | L115 V187 A192 L195 L196 V204 L218 V219 Y220 F231 | L115-L189 HydrophobicContact CB-CD2 3.95Å; L115-L189 HydrophobicContact CD1-CD2 3.72Å; L115-L189 HydrophobicContact CG-CD2 4.22Å; V187-L189 HydrophobicContact CG1-CD2 4.16Å; L189-A192 HydrophobicContact CB-CB 4.2Å; L189-L195 HydrophobicContact CB-CD1 3.82Å; L189-L195 HydrophobicContact CD2-CD1 4.22Å; L189-L196 HydrophobicContact CD1-CD2 4.38Å; L189-V204 HydrophobicContact CD1-CG1 4.07Å; L189-V204 HydrophobicContact CD2-CG1 3.83Å; L189-L218 PolarHBondContact N-O 2.73Å; L189-V219 HydrophobicContact CD1-CG2 4.22Å; L189-Y220 PolarHBondContact O-N 2.94Å; L189-F231 HydrophobicContact CD1-CD1 4.33Å; L189-F231 HydrophobicContact CD1-CE1 3.39Å; L189-F231 HydrophobicContact CD1-CZ 3.5Å |
| 190 | D | 97.4 | Very high | 96 | Very high | 2 Ų | 2 | 39.1 Ų | 39.1 | 1% | 0.011 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 142.8 | 172.2 | -173.4 | 30 | 0 | 0 | 0 | 110.5 | Y95 L115 V116 P117 A192 L195 | Y95-D190 HydrophobicContact CE1-CB 3.83Å; Y95-D190 PolarHBondContact OH-OD2 3.05Å; L115-D190 PolarHBondContact O-N 3.24Å; V116-D190 HydrophobicContact CG1-CB 4.11Å; P117-D190 VanDerWaalsContact CD-O 3.3Å; P117-D190 WeakPolarHBondContact CD-O 3.25Å; D190-A192 VanDerWaalsContact C-N 3.31Å; D190-L195 WeakPolarHBondContact O-CD1 3.18Å |
| 191 | E | 94.4 | Very high | 96 | Very high | 2 Ų | 2 | 38.1 Ų | 38.1 | 1% | 0.009 | 18% | 0.184 | C | C | . | . | S | Bend | trans | 53.1 | 51 | -170.7 | -56.4 | -85.2 | -168.6 | 0 | 0 | 110.5 | P117 L121 D193 K194 L195 Y220 R340 G341 H364 | P117-E191 HydrophobicContact CG-CB 3.69Å; P117-E191 HydrophobicContact CG-CG 4.36Å; L121-E191 HydrophobicContact CD2-CG 3.89Å; E191-D193 VanDerWaalsContact C-N 3.3Å; E191-D193 PolarHBondContact O-N 3.41Å; E191-K194 PolarHBondContact O-N 3.24Å; E191-L195 PolarHBondContact O-N 2.53Å; E191-Y220 PolarHBondContact N-O 3.24Å; E191-R340 HydrophobicContact CG-CB 4.28Å; E191-R340 IonicContact OE2-NH1 3.12Å; E191-G341 PolarHBondContact OE1-N 2.96Å; E191-H364 IonicContact OE2-CE1 3.9Å; E191-H364 PolarHBondContact OE2-CE1 3.16Å; E191-H364 IonicContact OE2-ND1 3.94Å |
| 192 | A | 96.1 | Very high | 95.9 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.7 | -32.3 | -168 | 0 | 0 | 0 | 0 | 0 | 114.8 | L189 D190 K194 L195 L196 V219 Y220 | L189-A192 HydrophobicContact CB-CB 4.2Å; D190-A192 VanDerWaalsContact C-N 3.31Å; A192-K194 PolarHBondContact O-N 3.06Å; A192-L195 PolarHBondContact O-N 2.78Å; A192-L196 HydrophobicContact CB-CD1 4.36Å; A192-L196 VanDerWaalsContact O-CB 3.23Å; A192-L196 WeakPolarHBondContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CG 3.23Å; A192-L196 PolarHBondContact O-N 3.39Å; A192-V219 HydrophobicContact CB-CG1 3.45Å; A192-V219 VanDerWaalsContact CB-CG1 3.45Å; A192-Y220 PolarHBondContact N-O 3.37Å; A192-Y220 VanDerWaalsContact N-O 3.11Å |
| 193 | D | 93.8 | Very high | 95.9 | Very high | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -51.8 | -39.6 | 170.4 | 54.2 | -29.7 | 0 | 0 | 0 | 112.5 | E191 S221 T223 P225 V228 R340 H364 | E191-D193 VanDerWaalsContact C-N 3.3Å; E191-D193 PolarHBondContact O-N 3.41Å; D193-S221 PolarHBondContact OD1-OG 2.82Å; D193-T223 WeakPolarHBondContact CB-OG1 3.38Å; D193-T223 PolarHBondContact OD2-OG1 2.89Å; D193-P225 HydrophobicContact CB-CG 4.14Å; D193-V228 HydrophobicContact CB-CG2 4.19Å; D193-R340 VanDerWaalsContact CG-NH1 3.33Å; D193-R340 IonicContact OD1-NH1 3.57Å; D193-R340 PolarHBondContact OD1-NH1 2.87Å; D193-R340 IonicContact OD2-CZ 3.62Å; D193-R340 IonicContact OD2-NH1 2.84Å; D193-R340 PolarHBondContact OD2-NH1 3.14Å; D193-H364 IonicContact OD2-NE2 2.73Å |
| 194 | K | 92.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 34.1 Ų | 34.1 | 29% | 0.291 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -82 | -38.3 | 175.3 | -172.5 | 55.1 | -174.3 | 156 | 0 | 113.1 | P117 E191 A192 L196 S197 E199 | P117-K194 HydrophobicContact CB-CB 3.89Å; P117-K194 HydrophobicContact CB-CG 3.59Å; P117-K194 HydrophobicContact CG-CB 4.18Å; P117-K194 HydrophobicContact CG-CG 4.29Å; E191-K194 PolarHBondContact O-N 3.24Å; A192-K194 PolarHBondContact O-N 3.06Å; K194-L196 PolarHBondContact O-N 3.2Å; K194-S197 PolarHBondContact NZ-OG 3.33Å; K194-S197 VanDerWaalsContact NZ-OG 3.14Å; K194-S197 WeakPolarHBondContact O-CB 3.27Å; K194-S197 PolarHBondContact O-N 2.78Å; K194-S197 PolarHBondContact O-OG 2.9Å; K194-E199 IonicContact NZ-OE2 3.39Å; K194-E199 PolarHBondContact NZ-OE2 3.35Å |
| 195 | L | 96.5 | Very high | 95.9 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -61.6 | -28.6 | 176 | -75.6 | 172.4 | 0 | 0 | 0 | 112.8 | L115 P117 P167 L189 D190 E191 A192 L200 I201 V204 | L115-L195 HydrophobicContact CB-CD1 4.01Å; L115-L195 HydrophobicContact CB-CD2 4.33Å; L115-L195 WeakPolarHBondContact O-CD1 3.47Å; P117-L195 HydrophobicContact CB-CD2 4.28Å; P117-L195 HydrophobicContact CB-CG 4.39Å; P167-L195 HydrophobicContact CG-CD2 3.73Å; L189-L195 HydrophobicContact CB-CD1 3.82Å; L189-L195 HydrophobicContact CD2-CD1 4.22Å; D190-L195 WeakPolarHBondContact O-CD1 3.18Å; E191-L195 PolarHBondContact O-N 2.53Å; A192-L195 PolarHBondContact O-N 2.78Å; L195-L200 CarbonylContact O-C 3.44Å; L195-L200 VanDerWaalsContact O-CB 3.25Å; L195-L200 WeakPolarHBondContact O-CB 3.49Å; L195-I201 PolarHBondContact O-N 2.81Å; L195-V204 HydrophobicContact CB-CG2 4.24Å; L195-V204 HydrophobicContact CD2-CG2 4.46Å |
| 196 | L | 96.3 | Very high | 95.9 | Very high | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -102.3 | 19.7 | -177.9 | -56.5 | 175.8 | 0 | 0 | 0 | 112.3 | L189 A192 K194 I201 V204 T227 V228 F231 | L189-L196 HydrophobicContact CD1-CD2 4.38Å; A192-L196 HydrophobicContact CB-CD1 4.36Å; A192-L196 VanDerWaalsContact O-CB 3.23Å; A192-L196 WeakPolarHBondContact O-CB 3.3Å; A192-L196 WeakPolarHBondContact O-CG 3.23Å; A192-L196 PolarHBondContact O-N 3.39Å; K194-L196 PolarHBondContact O-N 3.2Å; L196-I201 HydrophobicContact CD2-CD1 4.41Å; L196-I201 HydrophobicContact CD2-CG1 4.12Å; L196-V204 HydrophobicContact CD2-CG1 4.23Å; L196-T227 WeakPolarHBondContact O-CB 3.5Å; L196-V228 HydrophobicContact CD1-CB 4.32Å; L196-V228 HydrophobicContact CD1-CG1 4.32Å; L196-V228 HydrophobicContact CD1-CG2 4.09Å; L196-F231 HydrophobicContact CD1-CB 3.62Å; L196-F231 HydrophobicContact CD1-CD1 3.57Å; L196-F231 HydrophobicContact CD1-CD2 4.21Å; L196-F231 HydrophobicContact CD1-CE1 4.25Å; L196-F231 HydrophobicContact CD1-CG 3.53Å; L196-F231 HydrophobicContact CD2-CB 4.18Å; L196-F231 HydrophobicContact CD2-CD1 4.05Å; L196-F231 HydrophobicContact CD2-CD2 3.33Å; L196-F231 HydrophobicContact CD2-CE1 4.23Å; L196-F231 HydrophobicContact CD2-CE2 3.53Å; L196-F231 HydrophobicContact CD2-CG 3.58Å; L196-F231 HydrophobicContact CD2-CZ 3.96Å; L196-F231 HydrophobicContact CG-CB 4.43Å; L196-F231 HydrophobicContact CG-CD1 4.47Å; L196-F231 HydrophobicContact CG-CD2 4.39Å; L196-F231 HydrophobicContact CG-CG 4.18Å |
| 197 | S | 93 | Very high | 95.9 | Very high | 19 Ų | 19 | 34.3 Ų | 34.3 | 13% | 0.133 | 18% | 0.175 | C | C | . | . | S | Bend | trans | -73.8 | 160.9 | 166 | 73.3 | 0 | 0 | 0 | 0 | 110.7 | K194 E199 L200 I201 | K194-S197 PolarHBondContact NZ-OG 3.33Å; K194-S197 VanDerWaalsContact NZ-OG 3.14Å; K194-S197 WeakPolarHBondContact O-CB 3.27Å; K194-S197 PolarHBondContact O-N 2.78Å; K194-S197 PolarHBondContact O-OG 2.9Å; S197-E199 VanDerWaalsContact CB-OE2 3.25Å; S197-E199 WeakPolarHBondContact CB-OE2 3.44Å; S197-E199 PolarHBondContact O-N 3.32Å; S197-E199 PolarHBondContact OG-OE2 2.86Å; S197-L200 PolarHBondContact O-N 2.89Å; S197-I201 PolarHBondContact O-N 3.45Å |
| 198 | E | 90.7 | Very high | 95.8 | Very high | 180 Ų | 180 | 34.3 Ų | 34.3 | 84% | 0.841 | 18% | 0.175 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -52.9 | -31 | -176.5 | -65.6 | -177.8 | 171.8 | 0 | 0 | 113.1 | ||
| 199 | E | 89.9 | Confident | 95.7 | Very high | 133 Ų | 133 | 39 Ų | 39 | 62% | 0.621 | 20% | 0.2 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.3 | -20.2 | -177.4 | -45.9 | 93.3 | 161.6 | 0 | 0 | 114.4 | K194 S197 | K194-E199 IonicContact NZ-OE2 3.39Å; K194-E199 PolarHBondContact NZ-OE2 3.35Å; S197-E199 VanDerWaalsContact CB-OE2 3.25Å; S197-E199 WeakPolarHBondContact CB-OE2 3.44Å; S197-E199 PolarHBondContact O-N 3.32Å; S197-E199 PolarHBondContact OG-OE2 2.86Å |
| 200 | L | 94.2 | Very high | 95.6 | Very high | 43 Ų | 43 | 40.5 Ų | 40.5 | 23% | 0.225 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.3 | -23 | -170.2 | -65.6 | -176.8 | 0 | 0 | 0 | 114.1 | P117 L195 S197 S202 G203 V204 | P117-L200 HydrophobicContact CB-CD1 4.38Å; L195-L200 CarbonylContact O-C 3.44Å; L195-L200 VanDerWaalsContact O-CB 3.25Å; L195-L200 WeakPolarHBondContact O-CB 3.49Å; S197-L200 PolarHBondContact O-N 2.89Å; L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.4Å; L200-G203 PolarHBondContact O-N 3.2Å; L200-G203 VanDerWaalsContact O-N 3.11Å; L200-V204 PolarHBondContact O-N 3.46Å |
| 201 | I | 96.4 | Very high | 95.6 | Very high | 45 Ų | 45 | 40.6 Ų | 40.6 | 23% | 0.231 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.7 | -40.7 | -173.2 | -170.4 | 167.2 | 0 | 0 | 0 | 113 | L195 L196 S197 G203 V204 E205 | L195-I201 PolarHBondContact O-N 2.81Å; L196-I201 HydrophobicContact CD2-CD1 4.41Å; L196-I201 HydrophobicContact CD2-CG1 4.12Å; S197-I201 PolarHBondContact O-N 3.45Å; I201-G203 VanDerWaalsContact C-N 3.29Å; I201-G203 PolarHBondContact O-N 2.95Å; I201-V204 WeakPolarHBondContact O-CB 3.29Å; I201-V204 PolarHBondContact O-N 3.21Å; I201-E205 HydrophobicContact CG1-CG 4.29Å; I201-E205 WeakPolarHBondContact O-CG 3.49Å; I201-E205 PolarHBondContact O-N 2.93Å |
| 202 | S | 96.2 | Very high | 95.7 | Very high | 78 Ų | 78 | 42.3 Ų | 42.3 | 55% | 0.545 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -59.1 | -41.7 | 179.3 | 57.1 | 0 | 0 | 0 | 0 | 111.9 | L200 E205 E206 | L200-S202 VanDerWaalsContact C-N 3.31Å; L200-S202 PolarHBondContact O-N 3.4Å; S202-E205 PolarHBondContact O-N 3.04Å; S202-E206 WeakPolarHBondContact O-CB 3.04Å; S202-E206 PolarHBondContact O-N 2.88Å |
| 203 | G | 97.5 | Very high | 95.6 | Very high | 10 Ų | 10 | 49.2 Ų | 49.2 | 10% | 0.103 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -35.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | V171 L200 I201 I207 | V171-G203 WeakPolarHBondContact CG2-O 3.33Å; L200-G203 PolarHBondContact O-N 3.2Å; L200-G203 VanDerWaalsContact O-N 3.11Å; I201-G203 VanDerWaalsContact C-N 3.29Å; I201-G203 PolarHBondContact O-N 2.95Å; G203-I207 VanDerWaalsContact O-CD1 3.29Å; G203-I207 WeakPolarHBondContact O-CD1 3.15Å; G203-I207 WeakPolarHBondContact O-CG1 3.29Å; G203-I207 PolarHBondContact O-N 2.97Å |
| 204 | V | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -65.1 | -45.6 | 174.1 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | L115 P167 L189 L195 L196 L200 I201 I207 L208 F231 | L115-V204 HydrophobicContact CD1-CG1 4.27Å; L115-V204 HydrophobicContact CD1-CG2 4.26Å; P167-V204 HydrophobicContact CG-CG2 4.01Å; L189-V204 HydrophobicContact CD1-CG1 4.07Å; L189-V204 HydrophobicContact CD2-CG1 3.83Å; L195-V204 HydrophobicContact CB-CG2 4.24Å; L195-V204 HydrophobicContact CD2-CG2 4.46Å; L196-V204 HydrophobicContact CD2-CG1 4.23Å; L200-V204 PolarHBondContact O-N 3.46Å; I201-V204 WeakPolarHBondContact O-CB 3.29Å; I201-V204 PolarHBondContact O-N 3.21Å; V204-I207 PolarHBondContact O-N 3.43Å; V204-L208 HydrophobicContact CG1-CD1 4.47Å; V204-L208 WeakPolarHBondContact O-CG 3.36Å; V204-L208 PolarHBondContact O-N 3.48Å; V204-F231 HydrophobicContact CG1-CE2 3.91Å; V204-F231 HydrophobicContact CG1-CZ 3.91Å |
| 205 | E | 97.4 | Very high | 95.8 | Very high | 52 Ų | 52 | 50.1 Ų | 50.1 | 24% | 0.243 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -39.1 | 179.5 | -68.9 | -170 | 131.6 | 0 | 0 | 112.6 | I201 S202 I207 L208 N209 F231 Q234 H235 | I201-E205 HydrophobicContact CG1-CG 4.29Å; I201-E205 WeakPolarHBondContact O-CG 3.49Å; I201-E205 PolarHBondContact O-N 2.93Å; S202-E205 PolarHBondContact O-N 3.04Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-I207 PolarHBondContact O-N 2.96Å; E205-L208 PolarHBondContact O-N 3.16Å; E205-N209 WeakPolarHBondContact O-CB 3.03Å; E205-N209 VanDerWaalsContact O-CG 3.23Å; E205-N209 PolarHBondContact O-N 3.45Å; E205-N209 PolarHBondContact O-ND2 3.36Å; E205-N209 VanDerWaalsContact O-ND2 3.16Å; E205-F231 HydrophobicContact CG-CE2 4.44Å; E205-Q234 PolarHBondContact OE1-NE2 2.81Å; E205-H235 IonicContact OE1-CD2 3.05Å; E205-H235 IonicContact OE1-CE1 3.62Å; E205-H235 IonicContact OE1-NE2 3.45Å; E205-H235 PolarHBondContact OE1-NE2 2.92Å |
| 206 | E | 97.7 | Very high | 95.9 | Very high | 81 Ų | 81 | 50.3 Ų | 50.3 | 38% | 0.379 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.5 | -44.3 | 175.2 | -172.5 | 175.4 | 161.1 | 0 | 0 | 111.6 | V171 S202 N209 G210 | V171-E206 VanDerWaalsContact CG1-OE2 3.31Å; V171-E206 WeakPolarHBondContact CG1-OE2 3.43Å; V171-E206 HydrophobicContact CG2-CB 4.35Å; S202-E206 WeakPolarHBondContact O-CB 3.04Å; S202-E206 PolarHBondContact O-N 2.88Å; E206-N209 PolarHBondContact O-N 3.34Å; E206-G210 PolarHBondContact O-N 3.42Å |
| 207 | I | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 50.3 Ų | 50.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.5 | -46.6 | 175.4 | -64.6 | 164.3 | 0 | 0 | 0 | 110.2 | I113 L115 P167 L170 V171 I181 G203 V204 E205 N209 G210 V211 | I113-I207 HydrophobicContact CD1-CG2 3.88Å; L115-I207 HydrophobicContact CD1-CD1 3.88Å; L115-I207 HydrophobicContact CD1-CG2 4.44Å; L115-I207 HydrophobicContact CD2-CD1 3.84Å; P167-I207 HydrophobicContact CB-CD1 4.15Å; L170-I207 HydrophobicContact CB-CD1 3.98Å; L170-I207 HydrophobicContact CD2-CB 4.45Å; L170-I207 HydrophobicContact CD2-CD1 3.79Å; L170-I207 HydrophobicContact CD2-CG1 3.68Å; L170-I207 HydrophobicContact CD2-CG2 3.94Å; L170-I207 HydrophobicContact CG-CD1 4.36Å; V171-I207 HydrophobicContact CG2-CD1 4.07Å; V171-I207 HydrophobicContact CG2-CG1 3.87Å; I181-I207 HydrophobicContact CD1-CG2 4.27Å; G203-I207 VanDerWaalsContact O-CD1 3.29Å; G203-I207 WeakPolarHBondContact O-CD1 3.15Å; G203-I207 WeakPolarHBondContact O-CG1 3.29Å; G203-I207 PolarHBondContact O-N 2.97Å; V204-I207 PolarHBondContact O-N 3.43Å; E205-I207 VanDerWaalsContact C-N 3.34Å; E205-I207 PolarHBondContact O-N 2.96Å; I207-N209 PolarHBondContact O-N 3.3Å; I207-G210 PolarHBondContact O-N 3.46Å; I207-G210 VanDerWaalsContact O-N 3.13Å; I207-V211 PolarHBondContact O-N 3.08Å |
| 208 | L | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.3 | -29.7 | 177 | -77.3 | -175.3 | 0 | 0 | 0 | 113.1 | V187 V204 E205 V211 R215 V217 F231 H235 | V187-L208 HydrophobicContact CB-CD2 4.01Å; V187-L208 HydrophobicContact CG1-CD2 3.87Å; V187-L208 HydrophobicContact CG2-CD2 4.04Å; V204-L208 HydrophobicContact CG1-CD1 4.47Å; V204-L208 WeakPolarHBondContact O-CG 3.36Å; V204-L208 PolarHBondContact O-N 3.48Å; E205-L208 PolarHBondContact O-N 3.16Å; L208-V211 HydrophobicContact CD2-CG2 4.48Å; L208-V211 WeakPolarHBondContact O-CG2 3.4Å; L208-R215 VanDerWaalsContact O-CZ 3.25Å; L208-R215 PolarHBondContact O-NH1 3.35Å; L208-V217 HydrophobicContact CD2-CG2 4.27Å; L208-F231 HydrophobicContact CD1-CE1 4.47Å; L208-F231 HydrophobicContact CD1-CE2 3.82Å; L208-F231 HydrophobicContact CD1-CZ 3.42Å; L208-F231 VanDerWaalsContact CD1-CZ 3.42Å; L208-H235 HydrophobicContact CD1-CB 4.11Å |
| 209 | N | 96.4 | Very high | 96.7 | Very high | 98 Ų | 98 | 41 Ų | 41 | 52% | 0.524 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -72.5 | -32 | 177.6 | -75.7 | -32.4 | 0 | 0 | 0 | 112.8 | E205 E206 I207 K213 | E205-N209 WeakPolarHBondContact O-CB 3.03Å; E205-N209 VanDerWaalsContact O-CG 3.23Å; E205-N209 PolarHBondContact O-N 3.45Å; E205-N209 PolarHBondContact O-ND2 3.36Å; E205-N209 VanDerWaalsContact O-ND2 3.16Å; E206-N209 PolarHBondContact O-N 3.34Å; I207-N209 PolarHBondContact O-N 3.3Å; N209-K213 PolarHBondContact O-NZ 3.03Å |
| 210 | G | 96.4 | Very high | 97.1 | Very high | 32 Ų | 32 | 34.7 Ų | 34.7 | 33% | 0.33 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -82.9 | -20.3 | -179 | 0 | 0 | 0 | 0 | 0 | 115.6 | E206 I207 | E206-G210 PolarHBondContact O-N 3.42Å; I207-G210 PolarHBondContact O-N 3.46Å; I207-G210 VanDerWaalsContact O-N 3.13Å |
| 211 | V | 98.1 | Very high | 97.1 | Very high | 4 Ų | 4 | 32.9 Ų | 32.9 | 2% | 0.024 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -82 | 170.8 | 178.6 | -63.2 | 0 | 0 | 0 | 0 | 113 | I113 I181 C184 V187 I207 L208 K213 R215 | I113-V211 HydrophobicContact CD1-CG1 3.86Å; I181-V211 HydrophobicContact CB-CG1 4.13Å; I181-V211 HydrophobicContact CD1-CG1 3.72Å; I181-V211 HydrophobicContact CG1-CG1 3.97Å; I181-V211 WeakPolarHBondContact O-CA 3.23Å; C184-V211 HydrophobicContact CB-CB 4.09Å; C184-V211 HydrophobicContact CB-CG1 3.64Å; V187-V211 HydrophobicContact CG2-CB 4.46Å; V187-V211 HydrophobicContact CG2-CG1 4.1Å; V187-V211 HydrophobicContact CG2-CG2 4.05Å; I207-V211 PolarHBondContact O-N 3.08Å; L208-V211 HydrophobicContact CD2-CG2 4.48Å; L208-V211 WeakPolarHBondContact O-CG2 3.4Å; V211-K213 PolarHBondContact O-N 3.27Å; V211-R215 HydrophobicContact CG2-CG 4.48Å |
| 212 | D | 96.3 | Very high | 96.8 | Very high | 38 Ų | 38 | 30.8 Ų | 30.8 | 20% | 0.203 | 17% | 0.174 | C | C | . | . | trans | -54.6 | 136.4 | -179.6 | -166.9 | -62.5 | 0 | 0 | 0 | 111.5 | C184 K185 S214 R215 | C184-D212 WeakPolarHBondContact O-CB 3.3Å; C184-D212 PolarHBondContact O-N 3.28Å; C184-D212 VanDerWaalsContact O-N 3.08Å; K185-D212 HydrophobicContact CG-CB 4.36Å; D212-S214 PolarHBondContact O-N 2.9Å; D212-S214 WeakPolarHBondContact OD1-CA 3.22Å; D212-S214 VanDerWaalsContact OD1-CB 3.3Å; D212-S214 WeakPolarHBondContact OD1-CB 3.21Å; D212-S214 PolarHBondContact OD1-N 3.12Å; D212-S214 PolarHBondContact OD1-OG 3.27Å; D212-R215 WeakPolarHBondContact O-CB 3.41Å; D212-R215 WeakPolarHBondContact O-CD 3.48Å; D212-R215 VanDerWaalsContact O-CG 3.27Å; D212-R215 WeakPolarHBondContact O-CG 3.17Å; D212-R215 PolarHBondContact O-N 2.97Å; D212-R215 VanDerWaalsContact O-N 3.1Å | ||
| 213 | K | 93.6 | Very high | 96.4 | Very high | 145 Ų | 145 | 28.1 Ų | 28.1 | 63% | 0.63 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.7 | -20.9 | -179.1 | -60.3 | -53.9 | -173.4 | -166.6 | 0 | 112.9 | N209 V211 R215 | N209-K213 PolarHBondContact O-NZ 3.03Å; V211-K213 PolarHBondContact O-N 3.27Å; K213-R215 VanDerWaalsContact C-N 3.3Å |
| 214 | S | 94.2 | Very high | 96 | Very high | 69 Ų | 69 | 30.6 Ų | 30.6 | 48% | 0.483 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -88.1 | 7.4 | 173.2 | 73 | 0 | 0 | 0 | 0 | 113.7 | D212 R237 | D212-S214 PolarHBondContact O-N 2.9Å; D212-S214 WeakPolarHBondContact OD1-CA 3.22Å; D212-S214 VanDerWaalsContact OD1-CB 3.3Å; D212-S214 WeakPolarHBondContact OD1-CB 3.21Å; D212-S214 PolarHBondContact OD1-N 3.12Å; D212-S214 PolarHBondContact OD1-OG 3.27Å; S214-R237 PolarHBondContact O-NH2 3Å |
| 215 | R | 97.2 | Very high | 95.6 | Very high | 25 Ų | 25 | 33 Ų | 33 | 9% | 0.094 | 18% | 0.176 | C | C | . | . | trans | -50.4 | 145.1 | 179.9 | 68.3 | -164.2 | -178.2 | -116.3 | 7.2 | 114.4 | K185 L208 V211 D212 K213 V217 R237 | K185-R215 CarbonylContact O-C 3.29Å; K185-R215 WeakPolarHBondContact O-CA 3.21Å; L208-R215 VanDerWaalsContact O-CZ 3.25Å; L208-R215 PolarHBondContact O-NH1 3.35Å; V211-R215 HydrophobicContact CG2-CG 4.48Å; D212-R215 WeakPolarHBondContact O-CB 3.41Å; D212-R215 WeakPolarHBondContact O-CD 3.48Å; D212-R215 VanDerWaalsContact O-CG 3.27Å; D212-R215 WeakPolarHBondContact O-CG 3.17Å; D212-R215 PolarHBondContact O-N 2.97Å; D212-R215 VanDerWaalsContact O-N 3.1Å; K213-R215 VanDerWaalsContact C-N 3.3Å; R215-V217 HydrophobicContact CG-CG2 4.13Å; R215-R237 PolarHBondContact O-NH2 3.27Å | ||
| 216 | Q | 98.4 | Very high | 95.4 | Very high | 4 Ų | 4 | 35.4 Ų | 35.4 | 2% | 0.019 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | 138.4 | 160.4 | -177.2 | -177.8 | 29.4 | 0 | 0 | 110 | A75 H78 R79 D80 K185 I186 V187 L218 | A75-Q216 PolarHBondContact O-NE2 2.95Å; H78-Q216 VanDerWaalsContact C-NE2 3.34Å; H78-Q216 VanDerWaalsContact CA-NE2 3.33Å; R79-Q216 PolarHBondContact O-NE2 3.02Å; D80-Q216 VanDerWaalsContact OD1-CA 3.25Å; D80-Q216 WeakPolarHBondContact OD1-CA 3.19Å; K185-Q216 PolarHBondContact O-N 3.44Å; I186-Q216 WeakPolarHBondContact CA-O 3.46Å; I186-Q216 HydrophobicContact CG1-CB 4.43Å; V187-Q216 PolarHBondContact N-O 3.45Å; Q216-L218 HydrophobicContact CG-CD2 3.83Å; Q216-L218 HydrophobicContact CG-CG 4.22Å |
| 217 | V | 98.7 | Very high | 95.2 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 124.6 | 172.3 | -171 | 0 | 0 | 0 | 0 | 109.9 | D80 I81 V187 L208 R215 V219 L236 | D80-V217 VanDerWaalsContact CA-O 3.27Å; D80-V217 WeakPolarHBondContact CA-O 3.48Å; D80-V217 WeakPolarHBondContact CB-O 2.87Å; D80-V217 PolarHBondContact OD1-N 3.46Å; I81-V217 PolarHBondContact N-O 3.45Å; V187-V217 CarbonylContact O-C 3.6Å; V187-V217 WeakPolarHBondContact O-CA 3.49Å; L208-V217 HydrophobicContact CD2-CG2 4.27Å; R215-V217 HydrophobicContact CG-CG2 4.13Å; V217-V219 HydrophobicContact CG1-CG2 3.98Å; V217-L236 HydrophobicContact CB-CD1 3.91Å; V217-L236 HydrophobicContact CB-CG 4.21Å; V217-L236 HydrophobicContact CG1-CD1 3.72Å; V217-L236 HydrophobicContact CG1-CG 4.43Å |
| 218 | L | 98.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 112.8 | 178.5 | -52.2 | 179.8 | 0 | 0 | 0 | 109.9 | A75 I81 I186 V187 V188 L189 Q216 Y220 | A75-L218 HydrophobicContact CB-CD1 4.24Å; A75-L218 HydrophobicContact CB-CD2 4.29Å; I81-L218 HydrophobicContact CB-CD2 3.8Å; I81-L218 HydrophobicContact CD1-CD2 4.08Å; I81-L218 HydrophobicContact CG1-CD2 3.84Å; I186-L218 HydrophobicContact CG2-CD1 4.23Å; I186-L218 HydrophobicContact CG2-CG 4.48Å; V187-L218 PolarHBondContact O-N 3.04Å; V188-L218 CarbonylContact C-O 3.56Å; V188-L218 VanDerWaalsContact CA-O 3.32Å; V188-L218 WeakPolarHBondContact CA-O 3.4Å; V188-L218 HydrophobicContact CG1-CB 4.48Å; V188-L218 HydrophobicContact CG2-CB 4.19Å; V188-L218 HydrophobicContact CG2-CD1 4.1Å; V188-L218 HydrophobicContact CG2-CG 4.49Å; L189-L218 PolarHBondContact N-O 2.73Å; Q216-L218 HydrophobicContact CG-CD2 3.83Å; Q216-L218 HydrophobicContact CG-CG 4.22Å; L218-Y220 HydrophobicContact CB-CD2 4.41Å; L218-Y220 HydrophobicContact CB-CE2 3.85Å |
| 219 | V | 98.6 | Very high | 94.8 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.018 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 120.8 | -175.4 | -177.5 | 0 | 0 | 0 | 0 | 109.8 | I81 A83 L189 A192 V217 L236 | I81-V219 PolarHBondContact O-N 3.12Å; A83-V219 PolarHBondContact N-O 3.19Å; L189-V219 HydrophobicContact CD1-CG2 4.22Å; A192-V219 HydrophobicContact CB-CG1 3.45Å; A192-V219 VanDerWaalsContact CB-CG1 3.45Å; V217-V219 HydrophobicContact CG1-CG2 3.98Å; V219-L236 HydrophobicContact CG2-CD1 4.11Å; V219-L236 HydrophobicContact CG2-CD2 3.91Å |
| 220 | Y | 97.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 125.3 | 179 | -71.8 | -97.3 | 0 | 0 | 0 | 110.4 | I67 S71 A83 K91 A94 Y95 V188 L189 E191 A192 L218 | I67-Y220 HydrophobicContact CD1-CE1 4.32Å; I67-Y220 HydrophobicContact CG1-CE1 4.24Å; S71-Y220 WeakPolarHBondContact CB-OH 3.47Å; S71-Y220 PolarHBondContact OG-OH 3.04Å; A83-Y220 HydrophobicContact CB-CD1 3.4Å; A83-Y220 HydrophobicContact CB-CE1 3.42Å; A83-Y220 VanDerWaalsContact CB-CE1 3.42Å; A83-Y220 HydrophobicContact CB-CG 4.05Å; A83-Y220 WeakPolarHBondContact O-CA 3.32Å; K91-Y220 HydrophobicContact CB-CD1 4.24Å; K91-Y220 HydrophobicContact CD-CD1 4.4Å; K91-Y220 HydrophobicContact CG-CD1 4.32Å; A94-Y220 HydrophobicContact CB-CE1 3.84Å; A94-Y220 PolarHBondContact O-OH 3.01Å; Y95-Y220 AromaticContact CD1-CD2 3.81Å; Y95-Y220 HydrophobicContact CD1-CD2 3.81Å; Y95-Y220 HydrophobicContact CD1-CE2 4.04Å; Y95-Y220 HydrophobicContact CD1-CG 4.08Å; Y95-Y220 HydrophobicContact CG-CD2 4.4Å; Y95-Y220 HydrophobicContact CG-CE2 4.27Å; V188-Y220 HydrophobicContact CG1-CD2 4.32Å; L189-Y220 PolarHBondContact O-N 2.94Å; E191-Y220 PolarHBondContact N-O 3.24Å; A192-Y220 PolarHBondContact N-O 3.37Å; A192-Y220 VanDerWaalsContact N-O 3.11Å; L218-Y220 HydrophobicContact CB-CD2 4.41Å; L218-Y220 HydrophobicContact CB-CE2 3.85Å |
| 221 | S | 94.3 | Very high | 94.7 | Very high | 5 Ų | 5 | 35.6 Ų | 35.6 | 4% | 0.035 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -153.9 | 158.7 | 172.9 | -173.8 | 0 | 0 | 0 | 0 | 112.1 | A83 R84 A85 D193 T223 | A83-S221 PolarHBondContact O-N 3.04Å; A83-S221 VanDerWaalsContact O-N 3.07Å; R84-S221 VanDerWaalsContact CA-O 3.32Å; R84-S221 WeakPolarHBondContact CA-O 3.44Å; A85-S221 PolarHBondContact N-O 2.99Å; D193-S221 PolarHBondContact OD1-OG 2.82Å; S221-T223 WeakPolarHBondContact CB-O 3.48Å; S221-T223 PolarHBondContact OG-N 3.23Å; S221-T223 PolarHBondContact OG-O 3.28Å |
| 222 | A | 90.3 | Very high | 94.5 | Very high | 1 Ų | 1 | 35.7 Ų | 35.7 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -82.8 | -40.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | A85 M245 L363 | A85-A222 WeakPolarHBondContact O-CA 3.35Å; A222-M245 WeakPolarHBondContact O-CE 3.23Å; A222-L363 HydrophobicContact CB-CD2 4.48Å |
| 223 | T | 89.5 | Confident | 94.5 | Very high | 22 Ų | 22 | 40 Ų | 40 | 14% | 0.135 | 22% | 0.218 | C | C | . | . | trans | -101.6 | 162.4 | -179.8 | 79.7 | 0 | 0 | 0 | 0 | 111 | D193 S221 E360 L363 | D193-T223 WeakPolarHBondContact CB-OG1 3.38Å; D193-T223 PolarHBondContact OD2-OG1 2.89Å; S221-T223 WeakPolarHBondContact CB-O 3.48Å; S221-T223 PolarHBondContact OG-N 3.23Å; S221-T223 PolarHBondContact OG-O 3.28Å; T223-E360 HydrophobicContact CG2-CG 4.1Å; T223-L363 HydrophobicContact CG2-CD2 4.25Å | ||
| 224 | Y | 88.8 | Confident | 94.5 | Very high | 62 Ų | 62 | 39.4 Ų | 39.4 | 24% | 0.243 | 22% | 0.218 | C | C | . | . | trans | -142 | 67.1 | -176.5 | -172.2 | -104.1 | 0 | 0 | 0 | 110.5 | M82 V228 Q229 M232 | M82-Y224 HydrophobicContact CE-CD2 3.3Å; M82-Y224 HydrophobicContact CE-CE1 4.48Å; M82-Y224 HydrophobicContact CE-CE2 3.25Å; M82-Y224 HydrophobicContact CE-CG 3.97Å; M82-Y224 HydrophobicContact CG-CE2 4.47Å; Y224-V228 HydrophobicContact CD2-CB 4.07Å; Y224-V228 HydrophobicContact CD2-CG1 3.59Å; Y224-V228 HydrophobicContact CE2-CB 4.27Å; Y224-V228 HydrophobicContact CE2-CG1 3.67Å; Y224-Q229 HydrophobicContact CE1-CB 3.92Å; Y224-Q229 HydrophobicContact CE1-CG 4.32Å; Y224-Q229 WeakPolarHBondContact OH-CA 3.48Å; Y224-Q229 WeakPolarHBondContact OH-CB 3.47Å; Y224-M232 HydrophobicContact CE2-CE 3.39Å; Y224-M232 HydrophobicContact CE2-SD 3.93Å; Y224-M232 WeakPolarHBondContact OH-CE 3.29Å | ||
| 225 | P | 90.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 37.2 Ų | 37.2 | 33% | 0.325 | 20% | 0.2 | S | C | . | . | trans | -69 | 167.7 | 175.4 | 30.4 | -36 | 0 | 0 | 0 | 111.3 | D193 T227 V228 Q229 | D193-P225 HydrophobicContact CB-CG 4.14Å; P225-T227 PolarHBondContact O-N 3.26Å; P225-T227 VanDerWaalsContact O-N 3.16Å; P225-V228 HydrophobicContact CG-CG2 3.82Å; P225-V228 WeakPolarHBondContact O-CB 3.35Å; P225-V228 PolarHBondContact O-N 2.77Å; P225-Q229 PolarHBondContact O-N 2.95Å | ||
| 226 | V | 92 | Very high | 94.5 | Very high | 103 Ų | 103 | 36.9 Ų | 36.9 | 62% | 0.624 | 20% | 0.2 | S | C | * | . | H | α-helix | trans | -55.6 | -33.6 | 179.3 | 177.5 | 0 | 0 | 0 | 0 | 112.2 | V228 Q229 S230 | V226-V228 VanDerWaalsContact C-N 3.33Å; V226-V228 PolarHBondContact O-N 2.84Å; V226-Q229 WeakPolarHBondContact O-CB 3.32Å; V226-Q229 PolarHBondContact O-N 3.45Å; V226-S230 WeakPolarHBondContact O-CB 2.93Å; V226-S230 PolarHBondContact O-N 2.94Å; V226-S230 PolarHBondContact O-OG 3.26Å; V226-S230 VanDerWaalsContact O-OG 3.11Å |
| 227 | T | 93.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 43 Ų | 43 | 38% | 0.38 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -61 | -41.1 | 176.4 | 52.1 | 0 | 0 | 0 | 0 | 112.4 | L196 P225 F231 | L196-T227 WeakPolarHBondContact O-CB 3.5Å; P225-T227 PolarHBondContact O-N 3.26Å; P225-T227 VanDerWaalsContact O-N 3.16Å; T227-F231 WeakPolarHBondContact O-CB 3.46Å; T227-F231 PolarHBondContact O-N 3.11Å |
| 228 | V | 93.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -65.6 | -45.4 | 174.3 | -179.6 | 0 | 0 | 0 | 0 | 110 | D193 L196 Y224 P225 V226 S230 F231 M232 | D193-V228 HydrophobicContact CB-CG2 4.19Å; L196-V228 HydrophobicContact CD1-CB 4.32Å; L196-V228 HydrophobicContact CD1-CG1 4.32Å; L196-V228 HydrophobicContact CD1-CG2 4.09Å; Y224-V228 HydrophobicContact CD2-CB 4.07Å; Y224-V228 HydrophobicContact CD2-CG1 3.59Å; Y224-V228 HydrophobicContact CE2-CB 4.27Å; Y224-V228 HydrophobicContact CE2-CG1 3.67Å; P225-V228 HydrophobicContact CG-CG2 3.82Å; P225-V228 WeakPolarHBondContact O-CB 3.35Å; P225-V228 PolarHBondContact O-N 2.77Å; V226-V228 VanDerWaalsContact C-N 3.33Å; V226-V228 PolarHBondContact O-N 2.84Å; V228-S230 PolarHBondContact O-N 2.9Å; V228-F231 PolarHBondContact O-N 3.02Å; V228-M232 HydrophobicContact CG1-CG 4.47Å; V228-M232 HydrophobicContact CG1-SD 4.39Å; V228-M232 VanDerWaalsContact O-CG 3.29Å; V228-M232 WeakPolarHBondContact O-CG 3.48Å; V228-M232 PolarHBondContact O-N 2.91Å |
| 229 | Q | 94.8 | Very high | 94 | Very high | 86 Ų | 86 | 50 Ų | 50 | 40% | 0.402 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 178.1 | -178.1 | 174.4 | 10.9 | 0 | 0 | 112.5 | Y224 P225 V226 M232 N233 | Y224-Q229 HydrophobicContact CE1-CB 3.92Å; Y224-Q229 HydrophobicContact CE1-CG 4.32Å; Y224-Q229 WeakPolarHBondContact OH-CA 3.48Å; Y224-Q229 WeakPolarHBondContact OH-CB 3.47Å; P225-Q229 PolarHBondContact O-N 2.95Å; V226-Q229 WeakPolarHBondContact O-CB 3.32Å; V226-Q229 PolarHBondContact O-N 3.45Å; Q229-M232 PolarHBondContact O-N 2.84Å; Q229-N233 PolarHBondContact O-N 3.22Å; Q229-N233 VanDerWaalsContact O-N 3.08Å; Q229-N233 PolarHBondContact O-ND2 3.33Å |
| 230 | S | 95.2 | Very high | 94 | Very high | 63 Ų | 63 | 54.4 Ų | 54.4 | 44% | 0.441 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 178.4 | -65.8 | 0 | 0 | 0 | 0 | 111.6 | V226 V228 M232 N233 Q234 | V226-S230 WeakPolarHBondContact O-CB 2.93Å; V226-S230 PolarHBondContact O-N 2.94Å; V226-S230 PolarHBondContact O-OG 3.26Å; V226-S230 VanDerWaalsContact O-OG 3.11Å; V228-S230 PolarHBondContact O-N 2.9Å; S230-M232 VanDerWaalsContact C-N 3.29Å; S230-M232 PolarHBondContact O-N 3.05Å; S230-N233 PolarHBondContact O-N 3.32Å; S230-Q234 PolarHBondContact O-N 3.38Å; S230-Q234 VanDerWaalsContact O-N 3.16Å |
| 231 | F | 95.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 60.5 Ų | 60.5 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -57.7 | -43.5 | 176.9 | 177.3 | -91.7 | 0 | 0 | 0 | 111.9 | L189 L196 V204 E205 L208 T227 V228 Q234 H235 L236 | L189-F231 HydrophobicContact CD1-CD1 4.33Å; L189-F231 HydrophobicContact CD1-CE1 3.39Å; L189-F231 HydrophobicContact CD1-CZ 3.5Å; L196-F231 HydrophobicContact CD1-CB 3.62Å; L196-F231 HydrophobicContact CD1-CD1 3.57Å; L196-F231 HydrophobicContact CD1-CD2 4.21Å; L196-F231 HydrophobicContact CD1-CE1 4.25Å; L196-F231 HydrophobicContact CD1-CG 3.53Å; L196-F231 HydrophobicContact CD2-CB 4.18Å; L196-F231 HydrophobicContact CD2-CD1 4.05Å; L196-F231 HydrophobicContact CD2-CD2 3.33Å; L196-F231 HydrophobicContact CD2-CE1 4.23Å; L196-F231 HydrophobicContact CD2-CE2 3.53Å; L196-F231 HydrophobicContact CD2-CG 3.58Å; L196-F231 HydrophobicContact CD2-CZ 3.96Å; L196-F231 HydrophobicContact CG-CB 4.43Å; L196-F231 HydrophobicContact CG-CD1 4.47Å; L196-F231 HydrophobicContact CG-CD2 4.39Å; L196-F231 HydrophobicContact CG-CG 4.18Å; V204-F231 HydrophobicContact CG1-CE2 3.91Å; V204-F231 HydrophobicContact CG1-CZ 3.91Å; E205-F231 HydrophobicContact CG-CE2 4.44Å; L208-F231 HydrophobicContact CD1-CE1 4.47Å; L208-F231 HydrophobicContact CD1-CE2 3.82Å; L208-F231 HydrophobicContact CD1-CZ 3.42Å; L208-F231 VanDerWaalsContact CD1-CZ 3.42Å; T227-F231 WeakPolarHBondContact O-CB 3.46Å; T227-F231 PolarHBondContact O-N 3.11Å; V228-F231 PolarHBondContact O-N 3.02Å; F231-Q234 PolarHBondContact O-N 2.94Å; F231-H235 AromaticContact CD2-CD2 3.36Å; F231-H235 WeakPolarHBondContact CD2-CD2 3.12Å; F231-H235 AromaticContact CD2-NE2 3.97Å; F231-H235 HydrophobicContact CE1-CB 4.22Å; F231-H235 HydrophobicContact CE2-CB 4.41Å; F231-H235 AromaticContact CE2-CD2 3.43Å; F231-H235 VanDerWaalsContact CE2-CD2 3.43Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.12Å; F231-H235 AromaticContact CE2-CG 3.99Å; F231-H235 AromaticContact CE2-NE2 3.95Å; F231-H235 AromaticContact CG-CD2 3.96Å; F231-H235 HydrophobicContact CZ-CB 4.17Å; F231-H235 WeakPolarHBondContact O-CB 3.46Å; F231-H235 PolarHBondContact O-CD2 3.02Å; F231-H235 PolarHBondContact O-N 3.35Å; F231-L236 HydrophobicContact CD1-CD1 4.48Å; F231-L236 HydrophobicContact CE1-CD1 4.14Å |
| 232 | M | 94.1 | Very high | 94 | Very high | 6 Ų | 6 | 60.7 Ų | 60.7 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -42.8 | -179.8 | -68.3 | -166.9 | -29.4 | 0 | 0 | 113 | M82 Y224 V228 Q229 S230 Q234 H235 L236 | M82-M232 HydrophobicContact CB-CE 4.24Å; M82-M232 HydrophobicContact CB-SD 3.58Å; M82-M232 VanDerWaalsContact CB-SD 3.58Å; M82-M232 HydrophobicContact CE-CE 4.42Å; M82-M232 HydrophobicContact CG-CE 3.74Å; M82-M232 HydrophobicContact CG-SD 3.22Å; M82-M232 WeakPolarHBondContact CG-SD 3.39Å; Y224-M232 HydrophobicContact CE2-CE 3.39Å; Y224-M232 HydrophobicContact CE2-SD 3.93Å; Y224-M232 WeakPolarHBondContact OH-CE 3.29Å; V228-M232 HydrophobicContact CG1-CG 4.47Å; V228-M232 HydrophobicContact CG1-SD 4.39Å; V228-M232 VanDerWaalsContact O-CG 3.29Å; V228-M232 WeakPolarHBondContact O-CG 3.48Å; V228-M232 PolarHBondContact O-N 2.91Å; Q229-M232 PolarHBondContact O-N 2.84Å; S230-M232 VanDerWaalsContact C-N 3.29Å; S230-M232 PolarHBondContact O-N 3.05Å; M232-Q234 PolarHBondContact O-N 3.18Å; M232-H235 PolarHBondContact O-N 3.31Å; M232-L236 HydrophobicContact CB-CD2 4.13Å; M232-L236 HydrophobicContact CG-CD2 3.8Å; M232-L236 WeakPolarHBondContact O-CB 3.43Å; M232-L236 PolarHBondContact O-N 2.81Å; M232-L236 HydrophobicContact SD-CD2 4.05Å |
| 233 | N | 94.9 | Very high | 94.1 | Very high | 129 Ų | 129 | 65 Ų | 65 | 69% | 0.69 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -60.3 | -30.4 | 176.8 | -69.6 | -20 | 0 | 0 | 0 | 112.1 | Q229 S230 | Q229-N233 PolarHBondContact O-N 3.22Å; Q229-N233 VanDerWaalsContact O-N 3.08Å; Q229-N233 PolarHBondContact O-ND2 3.33Å; S230-N233 PolarHBondContact O-N 3.32Å |
| 234 | Q | 95.1 | Very high | 94.1 | Very high | 132 Ų | 132 | 67.2 Ų | 67.2 | 62% | 0.617 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -85.7 | -37.7 | -178.8 | -174.9 | 179.7 | -20.5 | 0 | 0 | 113.3 | E205 S230 F231 M232 | E205-Q234 PolarHBondContact OE1-NE2 2.81Å; S230-Q234 PolarHBondContact O-N 3.38Å; S230-Q234 VanDerWaalsContact O-N 3.16Å; F231-Q234 PolarHBondContact O-N 2.94Å; M232-Q234 PolarHBondContact O-N 3.18Å |
| 235 | H | 95.4 | Very high | 93.9 | Very high | 24 Ų | 24 | 65 Ų | 65 | 11% | 0.111 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -115.2 | -16.8 | -165.5 | -67.2 | -76.5 | 0 | 0 | 0 | 115.6 | E205 L208 F231 M232 | E205-H235 IonicContact OE1-CD2 3.05Å; E205-H235 IonicContact OE1-CE1 3.62Å; E205-H235 IonicContact OE1-NE2 3.45Å; E205-H235 PolarHBondContact OE1-NE2 2.92Å; L208-H235 HydrophobicContact CD1-CB 4.11Å; F231-H235 AromaticContact CD2-CD2 3.36Å; F231-H235 WeakPolarHBondContact CD2-CD2 3.12Å; F231-H235 AromaticContact CD2-NE2 3.97Å; F231-H235 HydrophobicContact CE1-CB 4.22Å; F231-H235 HydrophobicContact CE2-CB 4.41Å; F231-H235 AromaticContact CE2-CD2 3.43Å; F231-H235 VanDerWaalsContact CE2-CD2 3.43Å; F231-H235 WeakPolarHBondContact CE2-CD2 3.12Å; F231-H235 AromaticContact CE2-CG 3.99Å; F231-H235 AromaticContact CE2-NE2 3.95Å; F231-H235 AromaticContact CG-CD2 3.96Å; F231-H235 HydrophobicContact CZ-CB 4.17Å; F231-H235 WeakPolarHBondContact O-CB 3.46Å; F231-H235 PolarHBondContact O-CD2 3.02Å; F231-H235 PolarHBondContact O-N 3.35Å; M232-H235 PolarHBondContact O-N 3.31Å |
| 236 | L | 96.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 72.3 Ų | 72.3 | 9% | 0.089 | 36% | 0.363 | C | S | . | . | trans | -101.4 | 145.7 | -178.5 | -82.2 | 55.3 | 0 | 0 | 0 | 111.5 | D80 V217 V219 F231 M232 P239 | D80-L236 HydrophobicContact CB-CB 4.41Å; D80-L236 HydrophobicContact CB-CG 4.22Å; D80-L236 WeakPolarHBondContact OD2-CA 3.39Å; V217-L236 HydrophobicContact CB-CD1 3.91Å; V217-L236 HydrophobicContact CB-CG 4.21Å; V217-L236 HydrophobicContact CG1-CD1 3.72Å; V217-L236 HydrophobicContact CG1-CG 4.43Å; V219-L236 HydrophobicContact CG2-CD1 4.11Å; V219-L236 HydrophobicContact CG2-CD2 3.91Å; F231-L236 HydrophobicContact CD1-CD1 4.48Å; F231-L236 HydrophobicContact CE1-CD1 4.14Å; M232-L236 HydrophobicContact CB-CD2 4.13Å; M232-L236 HydrophobicContact CG-CD2 3.8Å; M232-L236 WeakPolarHBondContact O-CB 3.43Å; M232-L236 PolarHBondContact O-N 2.81Å; M232-L236 HydrophobicContact SD-CD2 4.05Å; L236-P239 HydrophobicContact CB-CB 4.12Å; L236-P239 HydrophobicContact CB-CG 3.92Å; L236-P239 HydrophobicContact CD2-CB 3.76Å; L236-P239 HydrophobicContact CD2-CG 4.01Å; L236-P239 HydrophobicContact CG-CB 4.38Å | ||
| 237 | R | 94.1 | Very high | 92.9 | Very high | 132 Ų | 132 | 70 Ų | 70 | 50% | 0.498 | 35% | 0.349 | S | S | . | . | S | Bend | trans | -109.8 | 101.7 | -178.4 | -63 | 177.1 | -64.5 | 160.8 | 5.4 | 110.2 | D80 S214 R215 | D80-R237 PolarHBondContact OD2-N 3.21Å; S214-R237 PolarHBondContact O-NH2 3Å; R215-R237 PolarHBondContact O-NH2 3.27Å |
| 238 | N | 94 | Very high | 92.5 | Very high | 124 Ų | 124 | 69 Ų | 69 | 66% | 0.663 | 34% | 0.341 | S | S | * | . | S | Bend | trans | 46.2 | 56.2 | -179 | -174.5 | 19.2 | 0 | 0 | 0 | 113.1 | R79 | R79-N238 PolarHBondContact NE-O 3.38Å; R79-N238 PolarHBondContact NH2-ND2 3.22Å; R79-N238 PolarHBondContact NH2-O 3.18Å; R79-N238 PolarHBondContact NH2-OD1 3.11Å |
| 239 | P | 97.1 | Very high | 92.1 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 16% | 0.162 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 143 | -173 | 29 | -35.6 | 0 | 0 | 0 | 111.9 | D80 L236 Q241 | D80-P239 HydrophobicContact CB-CB 3.95Å; D80-P239 CarbonylContact O-C 3.46Å; D80-P239 VanDerWaalsContact O-CA 3.29Å; D80-P239 WeakPolarHBondContact O-CA 3.47Å; L236-P239 HydrophobicContact CB-CB 4.12Å; L236-P239 HydrophobicContact CB-CG 3.92Å; L236-P239 HydrophobicContact CD2-CB 3.76Å; L236-P239 HydrophobicContact CD2-CG 4.01Å; L236-P239 HydrophobicContact CG-CB 4.38Å; P239-Q241 PolarHBondContact O-N 2.96Å |
| 240 | Y | 97.6 | Very high | 91.7 | Very high | 95 Ų | 95 | 65.9 Ų | 65.9 | 37% | 0.373 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.9 | 119.3 | 168.2 | -169.6 | -102.1 | 0 | 0 | 0 | 109.1 | I74 D80 I81 M82 I242 | I74-Y240 HydrophobicContact CB-CD1 4.35Å; I74-Y240 HydrophobicContact CD1-CE1 4.44Å; I74-Y240 HydrophobicContact CG1-CD1 3.89Å; I74-Y240 HydrophobicContact CG1-CE1 3.95Å; I74-Y240 HydrophobicContact CG1-CG 4.43Å; I74-Y240 HydrophobicContact CG2-CD1 3.95Å; I74-Y240 HydrophobicContact CG2-CG 3.88Å; D80-Y240 PolarHBondContact O-N 2.89Å; I81-Y240 WeakPolarHBondContact CA-O 3.44Å; M82-Y240 PolarHBondContact N-O 3.3Å; Y240-I242 HydrophobicContact CD1-CD1 3.98Å; Y240-I242 HydrophobicContact CD1-CG1 3.6Å; Y240-I242 HydrophobicContact CE1-CD1 4.16Å; Y240-I242 HydrophobicContact CE1-CG1 3.62Å |
| 241 | Q | 96.6 | Very high | 91.5 | Very high | 128 Ų | 128 | 66.2 Ų | 66.2 | 60% | 0.598 | 32% | 0.321 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 122.7 | -177.2 | -61.2 | -173.3 | 15.7 | 0 | 0 | 110.4 | M82 P239 | M82-Q241 HydrophobicContact CB-CG 4.28Å; M82-Q241 CarbonylContact O-C 3.4Å; M82-Q241 WeakPolarHBondContact O-CA 3.47Å; M82-Q241 HydrophobicContact SD-CB 4.43Å; P239-Q241 PolarHBondContact O-N 2.96Å |
| 242 | I | 95.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 66.2 Ų | 66.2 | 5% | 0.046 | 32% | 0.322 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 119.8 | 176.9 | -61.5 | 166.5 | 0 | 0 | 0 | 106.8 | I67 S70 I81 M82 A83 R84 Y240 L244 | I67-I242 HydrophobicContact CD1-CG2 4.01Å; S70-I242 WeakPolarHBondContact O-CD1 3.17Å; I81-I242 HydrophobicContact CG2-CD1 4.03Å; M82-I242 PolarHBondContact O-N 3.12Å; A83-I242 HydrophobicContact CB-CB 4.47Å; R84-I242 PolarHBondContact N-O 2.93Å; Y240-I242 HydrophobicContact CD1-CD1 3.98Å; Y240-I242 HydrophobicContact CD1-CG1 3.6Å; Y240-I242 HydrophobicContact CE1-CD1 4.16Å; Y240-I242 HydrophobicContact CE1-CG1 3.62Å; I242-L244 HydrophobicContact CG2-CD1 4.12Å; I242-L244 HydrophobicContact CG2-CD2 4.26Å; I242-L244 HydrophobicContact CG2-CG 3.81Å |
| 243 | N | 93.4 | Very high | 91.4 | Very high | 91 Ų | 91 | 66.4 Ų | 66.4 | 49% | 0.487 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 109.6 | 171.6 | -175.4 | 18.9 | 0 | 0 | 0 | 109.6 | R84 M245 | R84-N243 HydrophobicContact CB-CB 4.45Å; N243-M245 PolarHBondContact OD1-N 2.94Å |
| 244 | L | 89.1 | Confident | 91.4 | Very high | 70 Ų | 70 | 61.6 Ų | 61.6 | 37% | 0.366 | 30% | 0.298 | S | S | . | . | trans | -106.4 | 17.7 | -179.3 | -61.2 | 176.7 | 0 | 0 | 0 | 112.4 | P66 I67 R84 I242 | P66-L244 VanDerWaalsContact C-CD1 3.49Å; P66-L244 HydrophobicContact CB-CD1 4.03Å; I67-L244 HydrophobicContact CB-CD1 3.74Å; I67-L244 HydrophobicContact CD1-CD1 3.85Å; I67-L244 HydrophobicContact CG1-CD1 4.39Å; R84-L244 PolarHBondContact O-N 2.91Å; I242-L244 HydrophobicContact CG2-CD1 4.12Å; I242-L244 HydrophobicContact CG2-CD2 4.26Å; I242-L244 HydrophobicContact CG2-CG 3.81Å | ||
| 245 | M | 83.3 | Confident | 91.5 | Very high | 15 Ų | 15 | 55.9 Ų | 55.9 | 7% | 0.074 | 27% | 0.271 | C | S | . | . | trans | -120.8 | 109.7 | -175.5 | -60.8 | -174 | -60.9 | 0 | 0 | 110.5 | R84 K86 A222 N243 T247 L248 | R84-M245 HydrophobicContact CB-CE 3.64Å; R84-M245 HydrophobicContact CG-CE 4.28Å; K86-M245 HydrophobicContact CB-SD 4.37Å; K86-M245 HydrophobicContact CG-CG 3.74Å; K86-M245 HydrophobicContact CG-SD 3.78Å; K86-M245 PolarHBondContact N-SD 3Å; A222-M245 WeakPolarHBondContact O-CE 3.23Å; N243-M245 PolarHBondContact OD1-N 2.94Å; M245-T247 WeakPolarHBondContact CB-O 3.38Å; M245-L248 HydrophobicContact CE-CD2 4.17Å; M245-L248 HydrophobicContact SD-CD2 4.2Å | ||
| 246 | E | 79.2 | Confident | 91.7 | Very high | 203 Ų | 203 | 55.8 Ų | 55.8 | 95% | 0.949 | 27% | 0.27 | S | S | * | . | S | Bend | trans | -79.7 | -43.9 | 159 | -65.6 | -179.7 | 173.2 | 0 | 0 | 110 | ||
| 247 | T | 83.8 | Confident | 91.8 | Very high | 55 Ų | 55 | 58 Ų | 58 | 34% | 0.337 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -114.6 | 158.9 | 172.4 | 62.1 | 0 | 0 | 0 | 0 | 110.5 | K86 M245 | K86-T247 WeakPolarHBondContact CE-O 3.25Å; K86-T247 PolarHBondContact NZ-OG1 3.19Å; M245-T247 WeakPolarHBondContact CB-O 3.38Å |
| 248 | L | 84.4 | Confident | 91.9 | Very high | 40 Ų | 40 | 52.2 Ų | 52.2 | 21% | 0.209 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -86.1 | -34.5 | 179.9 | -68.4 | 171.9 | 0 | 0 | 0 | 112.5 | M245 L363 L397 | M245-L248 HydrophobicContact CE-CD2 4.17Å; M245-L248 HydrophobicContact SD-CD2 4.2Å; L248-L363 HydrophobicContact CB-CD1 3.96Å; L248-L363 HydrophobicContact CB-CD2 3.95Å; L248-L363 HydrophobicContact CD1-CD2 4.49Å; L248-L363 HydrophobicContact CD2-CD2 4.46Å; L248-L363 WeakPolarHBondContact O-CD1 3.47Å; L248-L397 HydrophobicContact CB-CD2 4.1Å; L248-L397 HydrophobicContact CD1-CD2 3.51Å; L248-L397 HydrophobicContact CG-CD2 4.45Å |
| 249 | T | 85.2 | Confident | 92.1 | Very high | 15 Ų | 15 | 52.5 Ų | 52.5 | 9% | 0.092 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -77 | 150.2 | -176.5 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | K86 L363 I366 L397 T399 | K86-T249 WeakPolarHBondContact CD-O 3.3Å; K86-T249 VanDerWaalsContact CE-O 3.22Å; K86-T249 WeakPolarHBondContact CE-O 3.01Å; K86-T249 PolarHBondContact NZ-O 3.09Å; T249-L363 HydrophobicContact CG2-CD1 4.22Å; T249-I366 HydrophobicContact CG2-CD1 4.09Å; T249-L397 HydrophobicContact CG2-CB 4.33Å; T249-L397 HydrophobicContact CG2-CD1 4.29Å; T249-T399 HydrophobicContact CG2-CG2 4.28Å |
| 250 | L | 86.3 | Confident | 92.2 | Very high | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | trans | -73.6 | 136 | 174.6 | -76.3 | 170 | 0 | 0 | 0 | 110.3 | D34 K86 N87 T89 G252 I253 | D34-L250 HydrophobicContact CB-CD2 4.3Å; D34-L250 WeakPolarHBondContact OD2-CA 3.32Å; K86-L250 HydrophobicContact CB-CD2 3.91Å; K86-L250 HydrophobicContact CB-CG 4.46Å; K86-L250 HydrophobicContact CD-CD2 4.02Å; N87-L250 VanDerWaalsContact O-CD1 3.3Å; N87-L250 WeakPolarHBondContact O-CD1 3.19Å; N87-L250 WeakPolarHBondContact O-CD2 3.46Å; T89-L250 HydrophobicContact CG2-CD2 3.92Å; L250-G252 PolarHBondContact O-N 3.33Å; L250-I253 HydrophobicContact CB-CD1 3.88Å; L250-I253 HydrophobicContact CB-CG1 3.96Å; L250-I253 HydrophobicContact CD1-CD1 3.77Å; L250-I253 HydrophobicContact CD1-CG1 4.3Å; L250-I253 HydrophobicContact CG-CD1 4.35Å; L250-I253 PolarHBondContact O-N 3.26Å | ||
| 251 | K | 90.9 | Very high | 92.2 | Very high | 71 Ų | 71 | 53.1 Ų | 53.1 | 31% | 0.309 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -30.2 | 174.1 | -75.7 | 178.6 | 172.7 | -178.3 | 0 | 112.6 | T32 A33 D34 I253 G434 | T32-K251 HydrophobicContact CG2-CB 4.02Å; A33-K251 HydrophobicContact CB-CD 4.2Å; D34-K251 WeakPolarHBondContact OD2-CB 3.34Å; D34-K251 PolarHBondContact OD2-N 2.97Å; K251-I253 VanDerWaalsContact C-N 3.3Å; K251-I253 PolarHBondContact O-N 3.28Å; K251-G434 WeakPolarHBondContact O-CA 3.46Å |
| 252 | G | 92.5 | Very high | 92.2 | Very high | 1 Ų | 1 | 51.1 Ų | 51.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.1 | -8.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | L250 L375 G376 | L250-G252 PolarHBondContact O-N 3.33Å; G252-L375 CarbonylContact O-C 3.59Å; G252-L375 VanDerWaalsContact O-CA 3.23Å; G252-L375 WeakPolarHBondContact O-CA 3.25Å; G252-G376 PolarHBondContact O-N 3.24Å |
| 253 | I | 94.4 | Very high | 92.3 | Very high | 11 Ų | 11 | 58.4 Ų | 58.4 | 6% | 0.056 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 117.7 | -178.5 | -59.1 | 172.8 | 0 | 0 | 0 | 109.4 | L250 K251 E255 I366 S369 G376 A378 | L250-I253 HydrophobicContact CB-CD1 3.88Å; L250-I253 HydrophobicContact CB-CG1 3.96Å; L250-I253 HydrophobicContact CD1-CD1 3.77Å; L250-I253 HydrophobicContact CD1-CG1 4.3Å; L250-I253 HydrophobicContact CG-CD1 4.35Å; L250-I253 PolarHBondContact O-N 3.26Å; K251-I253 VanDerWaalsContact C-N 3.3Å; K251-I253 PolarHBondContact O-N 3.28Å; I253-E255 HydrophobicContact CG2-CG 4.05Å; I253-I366 HydrophobicContact CD1-CB 4.34Å; I253-I366 HydrophobicContact CD1-CD1 4.46Å; I253-I366 HydrophobicContact CD1-CG1 4.24Å; I253-I366 WeakPolarHBondContact CD1-O 3.5Å; I253-I366 HydrophobicContact CG2-CB 4.45Å; I253-I366 HydrophobicContact CG2-CD1 4.5Å; I253-S369 WeakPolarHBondContact CD1-O 3.29Å; I253-G376 WeakPolarHBondContact CA-O 3.37Å; I253-A378 HydrophobicContact CG2-CB 3.84Å |
| 254 | T | 95.9 | Very high | 92.5 | Very high | 28 Ų | 28 | 58.3 Ų | 58.3 | 17% | 0.172 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.7 | 124.8 | 168.1 | -53.4 | 0 | 0 | 0 | 0 | 110.2 | Y256 G376 I377 A378 L412 | T254-Y256 HydrophobicContact CG2-CD2 4.39Å; T254-Y256 HydrophobicContact CG2-CE1 4.17Å; T254-Y256 HydrophobicContact CG2-CE2 3.62Å; T254-Y256 VanDerWaalsContact CG2-CZ 3.49Å; T254-Y256 WeakPolarHBondContact CG2-OH 3.47Å; T254-G376 PolarHBondContact N-O 3.29Å; T254-I377 WeakPolarHBondContact O-CA 3.29Å; T254-A378 PolarHBondContact O-N 3.14Å; T254-L412 HydrophobicContact CG2-CD1 4.31Å |
| 255 | E | 97.2 | Very high | 93 | Very high | 11 Ų | 11 | 55.2 Ų | 55.2 | 5% | 0.051 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.5 | 123.7 | -170.2 | -54.3 | -177.9 | -120.5 | 0 | 0 | 111 | I253 Y362 I366 T399 I401 K402 | I253-E255 HydrophobicContact CG2-CG 4.05Å; E255-Y362 WeakPolarHBondContact OE2-CE1 3.34Å; E255-Y362 PolarHBondContact OE2-OH 2.8Å; E255-I366 HydrophobicContact CG-CD1 4.35Å; E255-T399 PolarHBondContact OE1-OG1 3.34Å; E255-I401 HydrophobicContact CB-CG1 4.26Å; E255-I401 HydrophobicContact CB-CG2 4.3Å; E255-K402 PolarHBondContact O-N 2.73Å |
| 256 | Y | 98.1 | Very high | 93.7 | Very high | 23 Ų | 23 | 57 Ų | 57 | 9% | 0.09 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 152.6 | 178.1 | -64 | -64.4 | 0 | 0 | 0 | 112.1 | T254 I377 A378 I379 N380 K402 I404 P405 I408 | T254-Y256 HydrophobicContact CG2-CD2 4.39Å; T254-Y256 HydrophobicContact CG2-CE1 4.17Å; T254-Y256 HydrophobicContact CG2-CE2 3.62Å; T254-Y256 VanDerWaalsContact CG2-CZ 3.49Å; T254-Y256 WeakPolarHBondContact CG2-OH 3.47Å; Y256-I377 HydrophobicContact CE2-CG2 4.16Å; Y256-A378 PolarHBondContact N-O 2.89Å; Y256-I379 CarbonylContact O-C 3.54Å; Y256-I379 WeakPolarHBondContact O-CA 3.42Å; Y256-N380 WeakPolarHBondContact O-CB 3.23Å; Y256-N380 PolarHBondContact O-N 3.28Å; Y256-N380 PolarHBondContact O-ND2 2.96Å; Y256-K402 CarbonylContact C-O 3.41Å; Y256-K402 WeakPolarHBondContact CA-O 3.36Å; Y256-K402 HydrophobicContact CD1-CB 4.11Å; Y256-K402 HydrophobicContact CE1-CB 4.33Å; Y256-I404 HydrophobicContact CG-CG1 4.38Å; Y256-P405 VanDerWaalsContact CE1-CD 3.48Å; Y256-P405 HydrophobicContact CE1-CG 4.16Å; Y256-I408 HydrophobicContact CD2-CD1 3.72Å; Y256-I408 HydrophobicContact CD2-CG1 4.45Å; Y256-I408 HydrophobicContact CE2-CD1 3.73Å; Y256-I408 HydrophobicContact CE2-CG1 4.06Å; Y256-I408 HydrophobicContact CE2-CG2 3.93Å |
| 257 | Y | 98.1 | Very high | 94.5 | Very high | 64 Ų | 64 | 53.5 Ų | 53.5 | 25% | 0.251 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 146.3 | 165.2 | 78.5 | -88.3 | 0 | 0 | 0 | 112.5 | N380 I401 K402 P403 I404 | Y257-N380 CarbonylContact C-O 3.51Å; Y257-N380 VanDerWaalsContact CA-O 3.27Å; Y257-N380 WeakPolarHBondContact CA-O 3.35Å; Y257-I401 HydrophobicContact CD1-CG2 4.06Å; Y257-I401 WeakPolarHBondContact CD1-O 3.37Å; Y257-I401 VanDerWaalsContact CE1-O 3.26Å; Y257-I401 WeakPolarHBondContact CE1-O 3.21Å; Y257-I401 HydrophobicContact CG-CG2 4.49Å; Y257-K402 WeakPolarHBondContact CD1-O 3.14Å; Y257-K402 PolarHBondContact N-O 3.33Å; Y257-P403 HydrophobicContact CE1-CB 4.19Å; Y257-P403 HydrophobicContact CE1-CG 3.83Å; Y257-I404 PolarHBondContact O-N 2.94Å |
| 258 | A | 98.2 | Very high | 95.2 | Very high | 9 Ų | 9 | 51.9 Ų | 51.9 | 7% | 0.074 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 116.1 | 168 | 0 | 0 | 0 | 0 | 0 | 108.1 | V260 N380 L381 V382 I404 | A258-V260 HydrophobicContact CB-CG1 4.16Å; A258-V260 PolarHBondContact O-N 3.22Å; A258-N380 PolarHBondContact N-O 3.31Å; A258-L381 HydrophobicContact CB-CD2 3.96Å; A258-V382 PolarHBondContact O-N 3.46Å; A258-I404 HydrophobicContact CB-CG2 3.89Å |
| 259 | Y | 97.4 | Very high | 95.9 | Very high | 131 Ų | 131 | 50 Ų | 50 | 51% | 0.514 | 23% | 0.234 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -76.5 | 116.3 | 174.6 | -168.9 | -95.4 | 0 | 0 | 0 | 109.9 | V382 Y384 | Y259-V382 CarbonylContact C-O 3.57Å; Y259-V382 WeakPolarHBondContact CA-O 3.2Å; Y259-V382 HydrophobicContact CD2-CG1 4.35Å; Y259-Y384 WeakPolarHBondContact OH-CA 3.4Å; Y259-Y384 WeakPolarHBondContact OH-CB 3.27Å; Y259-Y384 VanDerWaalsContact OH-CD2 3.23Å; Y259-Y384 WeakPolarHBondContact OH-CD2 3.43Å |
| 260 | V | 98.1 | Very high | 96.5 | Very high | 19 Ų | 19 | 51.5 Ų | 51.5 | 12% | 0.115 | 24% | 0.241 | C | C | . | . | trans | -141.8 | 147 | -172.1 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | A258 K265 C268 L381 V382 T383 | A258-V260 HydrophobicContact CB-CG1 4.16Å; A258-V260 PolarHBondContact O-N 3.22Å; V260-K265 HydrophobicContact CG2-CG 3.6Å; V260-C268 HydrophobicContact CG1-CB 4.07Å; V260-L381 HydrophobicContact CG2-CB 3.99Å; V260-V382 PolarHBondContact N-O 2.83Å; V260-T383 WeakPolarHBondContact O-CA 3.3Å | ||
| 261 | Q | 97.9 | Very high | 97 | Very high | 114 Ų | 114 | 53.6 Ų | 53.6 | 53% | 0.533 | 26% | 0.255 | S | S | . | . | trans | -76.4 | 150.4 | 167.3 | -58.8 | 179.8 | 6 | 0 | 0 | 109.6 | K263 H264 K265 | Q261-K263 VanDerWaalsContact C-N 3.27Å; Q261-K263 HydrophobicContact CB-CG 4.33Å; Q261-K263 PolarHBondContact O-N 3.04Å; Q261-H264 WeakPolarHBondContact O-CA 3.11Å; Q261-H264 PolarHBondContact O-N 3.05Å; Q261-K265 PolarHBondContact O-N 3.19Å | ||
| 262 | E | 97.4 | Very high | 97.3 | Very high | 86 Ų | 86 | 50.8 Ų | 50.8 | 40% | 0.402 | 24% | 0.243 | S | C | . | . | G | 310 helix | trans | -51 | -45.4 | -178 | -175.5 | 61 | -157.1 | 0 | 0 | 112.5 | H264 K265 R290 | E262-H264 PolarHBondContact O-N 3.02Å; E262-H264 VanDerWaalsContact O-N 3.12Å; E262-K265 PolarHBondContact O-N 3.21Å; E262-K265 WeakPolarHBondContact OE2-CD 3.36Å; E262-K265 VanDerWaalsContact OE2-CE 3.22Å; E262-K265 WeakPolarHBondContact OE2-CE 3.46Å; E262-K265 IonicContact OE2-NZ 3.98Å; E262-K265 PolarHBondContact OE2-NZ 3.13Å; E262-R290 IonicContact OE1-CZ 3.97Å; E262-R290 VanDerWaalsContact OE1-CZ 3.25Å; E262-R290 IonicContact OE1-NH1 2.97Å; E262-R290 PolarHBondContact OE1-NH1 2.89Å; E262-R290 IonicContact OE1-NH2 3Å; E262-R290 PolarHBondContact OE1-NH2 3.33Å |
| 263 | K | 97.1 | Very high | 97.5 | Very high | 161 Ų | 161 | 51.5 Ų | 51.5 | 70% | 0.7 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -62.7 | -18.2 | 178.2 | 65.2 | 176.1 | 175.1 | 177.2 | 0 | 114.7 | Q261 | Q261-K263 VanDerWaalsContact C-N 3.27Å; Q261-K263 HydrophobicContact CB-CG 4.33Å; Q261-K263 PolarHBondContact O-N 3.04Å |
| 264 | H | 98.1 | Very high | 97.6 | Very high | 90 Ų | 90 | 55 Ų | 55 | 42% | 0.417 | 27% | 0.271 | S | S | . | . | G | 310 helix | trans | -102.9 | -5.4 | -178.8 | -63.9 | -50.7 | 0 | 0 | 0 | 113.5 | Q261 E262 V266 H267 C268 | Q261-H264 WeakPolarHBondContact O-CA 3.11Å; Q261-H264 PolarHBondContact O-N 3.05Å; E262-H264 PolarHBondContact O-N 3.02Å; E262-H264 VanDerWaalsContact O-N 3.12Å; H264-V266 PolarHBondContact O-N 3Å; H264-H267 WeakPolarHBondContact O-CB 3.26Å; H264-H267 PolarHBondContact O-N 3.26Å; H264-H267 VanDerWaalsContact O-N 3.14Å; H264-C268 PolarHBondContact O-N 3.09Å |
| 265 | K | 98.6 | Very high | 97.6 | Very high | 4 Ų | 4 | 59.9 Ų | 59.9 | 2% | 0.017 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.9 | -44.2 | -178.4 | -78.2 | -175.8 | 168.9 | 169 | 0 | 113.3 | V260 Q261 E262 H267 C268 L269 F353 D354 L381 | V260-K265 HydrophobicContact CG2-CG 3.6Å; Q261-K265 PolarHBondContact O-N 3.19Å; E262-K265 PolarHBondContact O-N 3.21Å; E262-K265 WeakPolarHBondContact OE2-CD 3.36Å; E262-K265 VanDerWaalsContact OE2-CE 3.22Å; E262-K265 WeakPolarHBondContact OE2-CE 3.46Å; E262-K265 IonicContact OE2-NZ 3.98Å; E262-K265 PolarHBondContact OE2-NZ 3.13Å; K265-H267 VanDerWaalsContact C-N 3.33Å; K265-H267 PolarHBondContact O-N 3.44Å; K265-C268 WeakPolarHBondContact O-CB 3.43Å; K265-C268 PolarHBondContact O-N 2.83Å; K265-L269 WeakPolarHBondContact O-CB 3.27Å; K265-L269 PolarHBondContact O-N 3.25Å; K265-F353 HydrophobicContact CB-CD2 4.49Å; K265-F353 HydrophobicContact CB-CE1 4.05Å; K265-F353 HydrophobicContact CB-CE2 3.67Å; K265-F353 HydrophobicContact CB-CZ 3.41Å; K265-F353 VanDerWaalsContact CB-CZ 3.41Å; K265-F353 HydrophobicContact CD-CD1 4.23Å; K265-F353 HydrophobicContact CD-CE1 3.91Å; K265-F353 HydrophobicContact CD-CZ 4.14Å; K265-F353 WeakPolarHBondContact CD-O 3.31Å; K265-F353 WeakPolarHBondContact CE-O 3.41Å; K265-F353 HydrophobicContact CG-CZ 4.41Å; K265-F353 PolarHBondContact NZ-O 3.4Å; K265-F353 VanDerWaalsContact NZ-O 3.09Å; K265-D354 IonicContact NZ-OD1 3.22Å; K265-D354 PolarHBondContact NZ-OD1 2.6Å; K265-D354 VanDerWaalsContact NZ-OD1 3.11Å; K265-L381 HydrophobicContact CB-CD1 3.99Å; K265-L381 HydrophobicContact CG-CB 4.38Å; K265-L381 HydrophobicContact CG-CD1 4.03Å |
| 266 | V | 98.3 | Very high | 97.5 | Very high | 53 Ų | 53 | 60.2 Ų | 60.2 | 32% | 0.321 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -64.9 | -38.9 | 178.9 | 178.9 | 0 | 0 | 0 | 0 | 111.4 | H264 L269 N270 L294 L301 F353 | H264-V266 PolarHBondContact O-N 3Å; V266-L269 PolarHBondContact O-N 3Å; V266-N270 PolarHBondContact O-N 2.89Å; V266-L294 HydrophobicContact CG2-CD1 4.29Å; V266-L301 HydrophobicContact CG1-CD1 4.31Å; V266-F353 HydrophobicContact CG2-CE2 4.42Å; V266-F353 HydrophobicContact CG2-CZ 3.95Å |
| 267 | H | 97.6 | Very high | 97.5 | Very high | 129 Ų | 129 | 62.6 Ų | 62.6 | 60% | 0.597 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -64.9 | -45.6 | 175.3 | 177.9 | 76.7 | 0 | 0 | 0 | 111.3 | H264 K265 L269 N270 T271 | H264-H267 WeakPolarHBondContact O-CB 3.26Å; H264-H267 PolarHBondContact O-N 3.26Å; H264-H267 VanDerWaalsContact O-N 3.14Å; K265-H267 VanDerWaalsContact C-N 3.33Å; K265-H267 PolarHBondContact O-N 3.44Å; H267-L269 VanDerWaalsContact C-N 3.33Å; H267-L269 PolarHBondContact O-N 2.99Å; H267-N270 WeakPolarHBondContact O-CB 3.39Å; H267-N270 PolarHBondContact O-N 2.72Å; H267-T271 PolarHBondContact O-N 3.21Å; H267-T271 PolarHBondContact O-OG1 2.86Å |
| 268 | C | 98.2 | Very high | 97.4 | Very high | 22 Ų | 22 | 59.9 Ų | 59.9 | 15% | 0.149 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -57.7 | -45.8 | 174.8 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | V260 H264 K265 N270 T271 L272 | V260-C268 HydrophobicContact CG1-CB 4.07Å; H264-C268 PolarHBondContact O-N 3.09Å; K265-C268 WeakPolarHBondContact O-CB 3.43Å; K265-C268 PolarHBondContact O-N 2.83Å; C268-N270 VanDerWaalsContact C-N 3.32Å; C268-N270 PolarHBondContact O-N 3.03Å; C268-T271 WeakPolarHBondContact O-CA 3.45Å; C268-T271 WeakPolarHBondContact O-CB 3.41Å; C268-T271 PolarHBondContact O-N 3.28Å; C268-T271 VanDerWaalsContact O-N 3.09Å; C268-L272 WeakPolarHBondContact O-CG 3.4Å; C268-L272 PolarHBondContact O-N 3.08Å |
| 269 | L | 98.3 | Very high | 97.3 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -57.8 | -43.1 | 176.4 | -177.5 | 65 | 0 | 0 | 0 | 112.2 | K265 V266 H267 T271 L272 F273 I283 L294 I298 I351 F353 | K265-L269 WeakPolarHBondContact O-CB 3.27Å; K265-L269 PolarHBondContact O-N 3.25Å; V266-L269 PolarHBondContact O-N 3Å; H267-L269 VanDerWaalsContact C-N 3.33Å; H267-L269 PolarHBondContact O-N 2.99Å; L269-T271 VanDerWaalsContact C-N 3.32Å; L269-T271 PolarHBondContact O-N 2.76Å; L269-L272 WeakPolarHBondContact O-CB 3.43Å; L269-L272 PolarHBondContact O-N 3.16Å; L269-L272 VanDerWaalsContact O-N 3.16Å; L269-F273 HydrophobicContact CD1-CE1 4.04Å; L269-F273 HydrophobicContact CD1-CE2 4.23Å; L269-F273 HydrophobicContact CD1-CZ 3.86Å; L269-F273 HydrophobicContact CD2-CE2 4.08Å; L269-F273 HydrophobicContact CD2-CZ 4.15Å; L269-F273 HydrophobicContact CG-CD2 4.32Å; L269-F273 HydrophobicContact CG-CE1 4.48Å; L269-F273 HydrophobicContact CG-CE2 3.79Å; L269-F273 HydrophobicContact CG-CZ 3.91Å; L269-F273 PolarHBondContact O-N 3.41Å; L269-I283 HydrophobicContact CD1-CD1 4.26Å; L269-I283 HydrophobicContact CD2-CD1 4.47Å; L269-L294 HydrophobicContact CD2-CD1 3.88Å; L269-L294 HydrophobicContact CD2-CD2 4.41Å; L269-L294 HydrophobicContact CD2-CG 4.45Å; L269-I298 HydrophobicContact CD2-CD1 3.85Å; L269-I298 HydrophobicContact CD2-CG1 3.88Å; L269-I351 HydrophobicContact CD1-CD1 3.61Å; L269-I351 HydrophobicContact CD1-CG2 4.28Å; L269-F353 HydrophobicContact CB-CE2 4.33Å; L269-F353 HydrophobicContact CD2-CD2 4.15Å; L269-F353 HydrophobicContact CD2-CE2 4.13Å |
| 270 | N | 97.6 | Very high | 97.2 | Very high | 46 Ų | 46 | 56.1 Ų | 56.1 | 25% | 0.246 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.8 | -41.4 | 175.4 | -169.1 | 52 | 0 | 0 | 0 | 112.1 | V266 H267 C268 L272 F273 S274 L301 Y303 | V266-N270 PolarHBondContact O-N 2.89Å; H267-N270 WeakPolarHBondContact O-CB 3.39Å; H267-N270 PolarHBondContact O-N 2.72Å; C268-N270 VanDerWaalsContact C-N 3.32Å; C268-N270 PolarHBondContact O-N 3.03Å; N270-L272 VanDerWaalsContact C-N 3.34Å; N270-L272 PolarHBondContact O-N 3.4Å; N270-F273 PolarHBondContact O-N 3Å; N270-S274 PolarHBondContact O-N 3.46Å; N270-S274 VanDerWaalsContact O-N 3.07Å; N270-S274 PolarHBondContact O-OG 3.39Å; N270-L301 HydrophobicContact CB-CD1 3.98Å; N270-Y303 WeakPolarHBondContact OD1-CE2 3.43Å |
| 271 | T | 97 | Very high | 97.2 | Very high | 53 Ų | 53 | 55.2 Ų | 55.2 | 33% | 0.325 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.9 | -41.3 | 173.8 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | H267 C268 L269 S274 K275 | H267-T271 PolarHBondContact O-N 3.21Å; H267-T271 PolarHBondContact O-OG1 2.86Å; C268-T271 WeakPolarHBondContact O-CA 3.45Å; C268-T271 WeakPolarHBondContact O-CB 3.41Å; C268-T271 PolarHBondContact O-N 3.28Å; C268-T271 VanDerWaalsContact O-N 3.09Å; L269-T271 VanDerWaalsContact C-N 3.32Å; L269-T271 PolarHBondContact O-N 2.76Å; T271-S274 PolarHBondContact O-N 3.03Å; T271-K275 HydrophobicContact CG2-CD 4.11Å; T271-K275 HydrophobicContact CG2-CG 4.43Å; T271-K275 WeakPolarHBondContact O-CB 3.22Å; T271-K275 WeakPolarHBondContact O-CG 3.34Å; T271-K275 PolarHBondContact O-N 3.18Å |
| 272 | L | 97.4 | Very high | 97.2 | Very high | 12 Ų | 12 | 49.9 Ų | 49.9 | 6% | 0.063 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.3 | -46.4 | 176.7 | -65.2 | 178.5 | 0 | 0 | 0 | 111.3 | C268 L269 N270 S274 K275 L276 I351 I379 L381 I404 | C268-L272 WeakPolarHBondContact O-CG 3.4Å; C268-L272 PolarHBondContact O-N 3.08Å; L269-L272 WeakPolarHBondContact O-CB 3.43Å; L269-L272 PolarHBondContact O-N 3.16Å; L269-L272 VanDerWaalsContact O-N 3.16Å; N270-L272 VanDerWaalsContact C-N 3.34Å; N270-L272 PolarHBondContact O-N 3.4Å; L272-S274 PolarHBondContact O-N 3.08Å; L272-K275 PolarHBondContact O-N 2.99Å; L272-L276 HydrophobicContact CB-CD1 4.07Å; L272-L276 HydrophobicContact CD2-CD1 4.31Å; L272-L276 VanDerWaalsContact O-CB 3.32Å; L272-L276 WeakPolarHBondContact O-CB 3.22Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.86Å; L272-I351 HydrophobicContact CD1-CD1 4.29Å; L272-I379 HydrophobicContact CD1-CD1 4.32Å; L272-I379 HydrophobicContact CD1-CG2 3.75Å; L272-I379 HydrophobicContact CD2-CD1 4.1Å; L272-I379 HydrophobicContact CD2-CG2 4.47Å; L272-L381 HydrophobicContact CD1-CD2 4.34Å; L272-I404 HydrophobicContact CD2-CD1 3.63Å |
| 273 | F | 97.3 | Very high | 97.3 | Very high | 16 Ų | 16 | 45.8 Ų | 45.8 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -60.3 | -32.6 | 175.7 | -68.2 | -29.3 | 0 | 0 | 0 | 113.6 | L269 N270 I278 I283 I298 Y303 N331 I351 | L269-F273 HydrophobicContact CD1-CE1 4.04Å; L269-F273 HydrophobicContact CD1-CE2 4.23Å; L269-F273 HydrophobicContact CD1-CZ 3.86Å; L269-F273 HydrophobicContact CD2-CE2 4.08Å; L269-F273 HydrophobicContact CD2-CZ 4.15Å; L269-F273 HydrophobicContact CG-CD2 4.32Å; L269-F273 HydrophobicContact CG-CE1 4.48Å; L269-F273 HydrophobicContact CG-CE2 3.79Å; L269-F273 HydrophobicContact CG-CZ 3.91Å; L269-F273 PolarHBondContact O-N 3.41Å; N270-F273 PolarHBondContact O-N 3Å; F273-I278 HydrophobicContact CD1-CD1 3.54Å; F273-I278 HydrophobicContact CE1-CD1 4.01Å; F273-I283 HydrophobicContact CE1-CD1 4.05Å; F273-I283 HydrophobicContact CZ-CD1 3.66Å; F273-I298 HydrophobicContact CE2-CB 4.43Å; F273-I298 HydrophobicContact CE2-CD1 4.31Å; F273-I298 HydrophobicContact CE2-CG1 3.99Å; F273-I298 HydrophobicContact CE2-CG2 3.73Å; F273-I298 HydrophobicContact CZ-CD1 4.11Å; F273-I298 HydrophobicContact CZ-CG1 4.3Å; F273-I298 HydrophobicContact CZ-CG2 4.07Å; F273-Y303 HydrophobicContact CB-CD1 4.26Å; F273-Y303 HydrophobicContact CB-CD2 4.48Å; F273-Y303 HydrophobicContact CB-CE1 3.65Å; F273-Y303 HydrophobicContact CB-CE2 3.91Å; F273-Y303 VanDerWaalsContact CB-CZ 3.45Å; F273-Y303 HydrophobicContact CD2-CD1 4.32Å; F273-Y303 AromaticContact CD2-CD2 3.54Å; F273-Y303 HydrophobicContact CD2-CD2 3.54Å; F273-Y303 HydrophobicContact CD2-CE1 4.38Å; F273-Y303 AromaticContact CD2-CE2 3.61Å; F273-Y303 HydrophobicContact CD2-CE2 3.61Å; F273-Y303 AromaticContact CD2-CG 3.91Å; F273-Y303 HydrophobicContact CD2-CG 3.91Å; F273-Y303 HydrophobicContact CE2-CD2 4.09Å; F273-Y303 HydrophobicContact CE2-CG 4.33Å; F273-Y303 HydrophobicContact CG-CD1 4.41Å; F273-Y303 HydrophobicContact CG-CD2 4.35Å; F273-Y303 HydrophobicContact CG-CE1 4.27Å; F273-Y303 HydrophobicContact CG-CE2 4.2Å; F273-Y303 HydrophobicContact CG-CG 4.44Å; F273-N331 WeakPolarHBondContact CE1-OD1 3.32Å; F273-I351 HydrophobicContact CE1-CD1 4.48Å |
| 274 | S | 94.9 | Very high | 97.3 | Very high | 83 Ų | 83 | 38.1 Ų | 38.1 | 58% | 0.58 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -77.1 | -28.7 | 178.9 | -56.3 | 0 | 0 | 0 | 0 | 112.9 | N270 T271 L272 Y303 | N270-S274 PolarHBondContact O-N 3.46Å; N270-S274 VanDerWaalsContact O-N 3.07Å; N270-S274 PolarHBondContact O-OG 3.39Å; T271-S274 PolarHBondContact O-N 3.03Å; L272-S274 PolarHBondContact O-N 3.08Å; S274-Y303 PolarHBondContact OG-OH 3.47Å |
| 275 | K | 95.9 | Very high | 97.3 | Very high | 131 Ų | 131 | 33.9 Ų | 33.9 | 57% | 0.57 | 18% | 0.183 | S | C | * | . | H | α-helix | trans | -97.7 | -29 | -174.4 | -74.9 | -169.2 | 165.8 | -163 | 0 | 114.2 | T271 L272 K406 | T271-K275 HydrophobicContact CG2-CD 4.11Å; T271-K275 HydrophobicContact CG2-CG 4.43Å; T271-K275 WeakPolarHBondContact O-CB 3.22Å; T271-K275 WeakPolarHBondContact O-CG 3.34Å; T271-K275 PolarHBondContact O-N 3.18Å; L272-K275 PolarHBondContact O-N 2.99Å; K275-K406 PolarHBondContact NZ-O 3.27Å |
| 276 | L | 97 | Very high | 97.1 | Very high | 18 Ų | 18 | 37.3 Ų | 37.3 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | S | Bend | trans | -95.1 | 138.8 | -173.7 | -59.1 | 174.8 | 0 | 0 | 0 | 111.2 | L272 I278 V349 I377 I379 I408 Y413 | L272-L276 HydrophobicContact CB-CD1 4.07Å; L272-L276 HydrophobicContact CD2-CD1 4.31Å; L272-L276 VanDerWaalsContact O-CB 3.32Å; L272-L276 WeakPolarHBondContact O-CB 3.22Å; L272-L276 VanDerWaalsContact O-CG 3.28Å; L272-L276 WeakPolarHBondContact O-CG 3.43Å; L272-L276 PolarHBondContact O-N 2.86Å; L276-I278 VanDerWaalsContact C-N 3.26Å; L276-I278 HydrophobicContact CB-CD1 4.34Å; L276-I278 HydrophobicContact CB-CG1 3.83Å; L276-I278 PolarHBondContact O-N 3.3Å; L276-V349 HydrophobicContact CD1-CG1 4.28Å; L276-I377 HydrophobicContact CD1-CD1 4.21Å; L276-I377 HydrophobicContact CD2-CD1 4.13Å; L276-I379 HydrophobicContact CD1-CD1 3.37Å; L276-I408 HydrophobicContact CD2-CB 4.39Å; L276-I408 HydrophobicContact CD2-CD1 3.88Å; L276-I408 HydrophobicContact CD2-CG1 4.42Å; L276-Y413 HydrophobicContact CB-CE2 4.38Å |
| 277 | Q | 96.8 | Very high | 97 | Very high | 73 Ų | 73 | 36.9 Ų | 36.9 | 34% | 0.341 | 21% | 0.207 | S | C | . | . | trans | -83.2 | 75.1 | 169.3 | -173.2 | 170.7 | -36.6 | 0 | 0 | 109.6 | N348 Y413 V414 | Q277-N348 PolarHBondContact O-ND2 3.41Å; Q277-Y413 HydrophobicContact CB-CE2 4.49Å; Q277-Y413 PolarHBondContact N-OH 3.17Å; Q277-Y413 WeakPolarHBondContact O-CE2 3.2Å; Q277-V414 HydrophobicContact CB-CG2 3.91Å; Q277-V414 HydrophobicContact CG-CG1 4.18Å; Q277-V414 HydrophobicContact CG-CG2 4.32Å | ||
| 278 | I | 96.3 | Very high | 97 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 4% | 0.036 | 18% | 0.184 | C | C | . | . | trans | -71.6 | 130.5 | 178.7 | -60.6 | 176.9 | 0 | 0 | 0 | 108.6 | F273 L276 Q280 R330 V349 | F273-I278 HydrophobicContact CD1-CD1 3.54Å; F273-I278 HydrophobicContact CE1-CD1 4.01Å; L276-I278 VanDerWaalsContact C-N 3.26Å; L276-I278 HydrophobicContact CB-CD1 4.34Å; L276-I278 HydrophobicContact CB-CG1 3.83Å; L276-I278 PolarHBondContact O-N 3.3Å; I278-Q280 VanDerWaalsContact CG2-C 3.49Å; I278-R330 PolarHBondContact O-NH1 2.89Å; I278-R330 VanDerWaalsContact O-NH1 3.14Å; I278-R330 PolarHBondContact O-NH2 3.22Å; I278-V349 HydrophobicContact CG1-CB 4.33Å; I278-V349 HydrophobicContact CG1-CG2 3.92Å | ||
| 279 | S | 95.5 | Very high | 97 | Very high | 55 Ų | 55 | 36.5 Ų | 36.5 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | S | Bend | trans | -84.5 | -64.7 | 164.6 | 177.3 | 0 | 0 | 0 | 0 | 108.2 | R330 T346 N348 | S279-R330 PolarHBondContact O-NH1 3.43Å; S279-T346 WeakPolarHBondContact CB-O 3.45Å; S279-T346 PolarHBondContact OG-O 3.27Å; S279-N348 PolarHBondContact N-OD1 2.94Å |
| 280 | Q | 97 | Very high | 97 | Very high | 7 Ų | 7 | 39.8 Ų | 39.8 | 3% | 0.033 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.2 | 151 | 162.5 | -64.2 | -174.6 | -98.2 | 0 | 0 | 110.7 | I278 F324 C329 R330 T346 V347 N348 | I278-Q280 VanDerWaalsContact CG2-C 3.49Å; Q280-F324 HydrophobicContact CB-CE2 4.23Å; Q280-F324 HydrophobicContact CB-CZ 4.07Å; Q280-F324 VanDerWaalsContact NE2-CE2 3.3Å; Q280-F324 PolarHBondContact NE2-O 3.24Å; Q280-C329 PolarHBondContact NE2-O 2.99Å; Q280-R330 CarbonylContact C-O 3.57Å; Q280-R330 WeakPolarHBondContact CA-O 2.94Å; Q280-T346 PolarHBondContact N-O 3.39Å; Q280-T346 VanDerWaalsContact OE1-CB 3.25Å; Q280-T346 PolarHBondContact OE1-OG1 2.95Å; Q280-V347 HydrophobicContact CB-CG2 4.03Å; Q280-V347 WeakPolarHBondContact O-CA 3.36Å; Q280-N348 PolarHBondContact O-N 3.24Å; Q280-N348 PolarHBondContact O-OD1 2.89Å |
| 281 | S | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 147.9 | 175.9 | 78.3 | 0 | 0 | 0 | 0 | 113.5 | F324 R330 N331 L332 V349 | S281-F324 WeakPolarHBondContact O-CZ 3.44Å; S281-R330 PolarHBondContact N-O 3.29Å; S281-N331 PolarHBondContact OG-OD1 3.42Å; S281-L332 PolarHBondContact O-N 3.33Å; S281-V349 WeakPolarHBondContact CA-O 3.39Å; S281-V349 WeakPolarHBondContact CB-O 3.46Å |
| 282 | I | 97.5 | Very high | 97.1 | Very high | 2 Ų | 2 | 39 Ų | 39 | 1% | 0.01 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 127.8 | 168.4 | -60.3 | -177.9 | 0 | 0 | 0 | 108.5 | F284 F324 L332 C334 I344 V347 V349 V350 I351 R368 | I282-F284 HydrophobicContact CB-CE2 4.4Å; I282-F284 HydrophobicContact CG2-CD2 4.18Å; I282-F284 HydrophobicContact CG2-CE1 4.02Å; I282-F284 HydrophobicContact CG2-CE2 3.61Å; I282-F284 HydrophobicContact CG2-CZ 3.53Å; I282-F324 HydrophobicContact CD1-CE1 4.12Å; I282-F324 HydrophobicContact CG1-CE1 3.86Å; I282-F324 HydrophobicContact CG1-CZ 3.99Å; I282-L332 CarbonylContact C-O 3.55Å; I282-L332 WeakPolarHBondContact CA-O 3.42Å; I282-C334 VanDerWaalsContact CG2-SG 3.57Å; I282-I344 HydrophobicContact CD1-CD1 4.47Å; I282-V347 HydrophobicContact CD1-CG1 4.34Å; I282-V347 HydrophobicContact CD1-CG2 4.08Å; I282-V347 HydrophobicContact CG1-CG1 4.1Å; I282-V347 HydrophobicContact CG1-CG2 4Å; I282-V349 PolarHBondContact N-O 2.92Å; I282-V350 WeakPolarHBondContact O-CA 3.42Å; I282-I351 PolarHBondContact O-N 2.92Å; I282-R368 HydrophobicContact CD1-CB 4.03Å; I282-R368 HydrophobicContact CD1-CG 4.01Å |
| 283 | I | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 111.2 | -173.3 | -53.1 | 170.7 | 0 | 0 | 0 | 109 | L269 F273 L294 I298 N331 L332 V333 C334 I351 F353 | L269-I283 HydrophobicContact CD1-CD1 4.26Å; L269-I283 HydrophobicContact CD2-CD1 4.47Å; F273-I283 HydrophobicContact CE1-CD1 4.05Å; F273-I283 HydrophobicContact CZ-CD1 3.66Å; I283-L294 HydrophobicContact CG2-CD2 3.85Å; I283-I298 HydrophobicContact CD1-CD1 3.66Å; I283-N331 HydrophobicContact CD1-CB 4.4Å; I283-L332 PolarHBondContact N-O 2.78Å; I283-V333 HydrophobicContact CB-CG2 4.12Å; I283-V333 HydrophobicContact CD1-CG2 4.25Å; I283-V333 CarbonylContact O-C 3.59Å; I283-V333 VanDerWaalsContact O-CA 3.29Å; I283-V333 WeakPolarHBondContact O-CA 3.43Å; I283-C334 PolarHBondContact O-N 3.01Å; I283-I351 CarbonylContact C-O 3.59Å; I283-I351 VanDerWaalsContact CA-O 3.26Å; I283-I351 WeakPolarHBondContact CA-O 3.32Å; I283-I351 HydrophobicContact CG1-CB 4.18Å; I283-I351 HydrophobicContact CG1-CD1 4.35Å; I283-I351 HydrophobicContact CG2-CB 4.32Å; I283-I351 HydrophobicContact CG2-CG2 4.47Å; I283-F353 HydrophobicContact CG2-CB 3.81Å |
| 284 | F | 98.4 | Very high | 97.2 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 129.5 | -175.8 | -68.3 | -77.1 | 0 | 0 | 0 | 112.7 | I282 C334 T339 V350 I351 F353 D354 R365 R368 | I282-F284 HydrophobicContact CB-CE2 4.4Å; I282-F284 HydrophobicContact CG2-CD2 4.18Å; I282-F284 HydrophobicContact CG2-CE1 4.02Å; I282-F284 HydrophobicContact CG2-CE2 3.61Å; I282-F284 HydrophobicContact CG2-CZ 3.53Å; F284-C334 CarbonylContact C-O 3.53Å; F284-C334 WeakPolarHBondContact CA-O 3.37Å; F284-C334 WeakPolarHBondContact CD1-SG 3.18Å; F284-C334 WeakPolarHBondContact CE1-SG 3.42Å; F284-T339 HydrophobicContact CD1-CG2 3.89Å; F284-T339 HydrophobicContact CE1-CG2 3.32Å; F284-T339 HydrophobicContact CZ-CG2 3.81Å; F284-V350 HydrophobicContact CD2-CG1 3.92Å; F284-V350 HydrophobicContact CE2-CG1 3.8Å; F284-I351 PolarHBondContact N-O 2.66Å; F284-F353 WeakPolarHBondContact O-CB 3.39Å; F284-F353 PolarHBondContact O-N 3.45Å; F284-D354 PolarHBondContact O-N 2.88Å; F284-R365 HydrophobicContact CB-CG 4.37Å; F284-R365 HydrophobicContact CD1-CG 3.96Å; F284-R365 HydrophobicContact CD2-CB 3.75Å; F284-R365 HydrophobicContact CD2-CG 3.64Å; F284-R365 HydrophobicContact CE1-CG 4.11Å; F284-R365 HydrophobicContact CE2-CB 3.67Å; F284-R365 HydrophobicContact CE2-CG 3.79Å; F284-R365 HydrophobicContact CG-CB 4.35Å; F284-R365 HydrophobicContact CG-CG 3.72Å; F284-R365 HydrophobicContact CZ-CB 4.23Å; F284-R365 HydrophobicContact CZ-CG 4.02Å; F284-R368 HydrophobicContact CE2-CG 4.12Å; F284-R368 HydrophobicContact CZ-CG 3.8Å |
| 285 | C | 97.9 | Very high | 97.3 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.203 | C | C | . | . | trans | -121 | 157.5 | 173.4 | -62.3 | 0 | 0 | 0 | 0 | 111.1 | S287 R290 V291 L294 C334 | C285-S287 PolarHBondContact O-N 3.37Å; C285-R290 HydrophobicContact CB-CB 4.19Å; C285-V291 HydrophobicContact CB-CG2 3.72Å; C285-L294 WeakPolarHBondContact SG-CD2 3.37Å; C285-C334 PolarHBondContact N-O 2.79Å | ||
| 286 | S | 94.9 | Very high | 97.4 | Very high | 77 Ų | 77 | 39.3 Ų | 39.3 | 54% | 0.538 | 20% | 0.204 | S | C | . | . | S | Bend | trans | -77.3 | -17.1 | -175.6 | 54.9 | 0 | 0 | 0 | 0 | 115.1 | D354 | S286-D354 WeakPolarHBondContact CB-OD2 3.48Å; S286-D354 PolarHBondContact N-OD2 3.45Å; S286-D354 PolarHBondContact OG-OD2 2.84Å |
| 287 | S | 96.3 | Very high | 97.5 | Very high | 44 Ų | 44 | 43.2 Ų | 43.2 | 31% | 0.308 | 22% | 0.221 | S | C | . | . | S | Bend | trans | -149 | 154.8 | -177 | 66.5 | 0 | 0 | 0 | 0 | 113.6 | C285 Q289 R290 V291 | C285-S287 PolarHBondContact O-N 3.37Å; S287-Q289 VanDerWaalsContact C-N 3.33Å; S287-Q289 PolarHBondContact O-N 2.79Å; S287-R290 PolarHBondContact O-N 3.07Å; S287-R290 VanDerWaalsContact O-N 3.17Å; S287-R290 WeakPolarHBondContact OG-CB 3.4Å; S287-R290 VanDerWaalsContact OG-CG 3.32Å; S287-R290 WeakPolarHBondContact OG-CG 3.38Å; S287-R290 PolarHBondContact OG-N 2.9Å; S287-V291 WeakPolarHBondContact O-CG2 3.44Å; S287-V291 PolarHBondContact O-N 2.99Å |
| 288 | A | 96.9 | Very high | 97.6 | Very high | 13 Ų | 13 | 39.8 Ų | 39.8 | 11% | 0.107 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -55.8 | -44.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | R290 V291 E292 H309 R311 | A288-R290 VanDerWaalsContact C-N 3.32Å; A288-R290 PolarHBondContact O-N 2.96Å; A288-V291 WeakPolarHBondContact O-CB 3.43Å; A288-V291 PolarHBondContact O-N 3.45Å; A288-E292 PolarHBondContact O-N 3.43Å; A288-H309 HydrophobicContact CB-CB 3.95Å; A288-H309 WeakPolarHBondContact CB-ND1 3.45Å; A288-R311 HydrophobicContact CB-CG 4.32Å |
| 289 | Q | 97.8 | Very high | 97.6 | Very high | 130 Ų | 130 | 43.2 Ų | 43.2 | 61% | 0.607 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -61.1 | -42.5 | 178.4 | -175.5 | -177.7 | 5.1 | 0 | 0 | 111.6 | S287 E292 L293 | S287-Q289 VanDerWaalsContact C-N 3.33Å; S287-Q289 PolarHBondContact O-N 2.79Å; Q289-E292 PolarHBondContact O-N 3.07Å; Q289-L293 HydrophobicContact CG-CD1 4.04Å; Q289-L293 WeakPolarHBondContact O-CB 3.44Å; Q289-L293 VanDerWaalsContact O-CG 3.25Å; Q289-L293 WeakPolarHBondContact O-CG 3.44Å; Q289-L293 PolarHBondContact O-N 3.07Å |
| 290 | R | 97.7 | Very high | 97.8 | Very high | 69 Ų | 69 | 46.1 Ų | 46.1 | 26% | 0.26 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -66.8 | -38.4 | 176.9 | -72.3 | 179.1 | 64.9 | 82.4 | -6.8 | 111.9 | E262 C285 S287 A288 L293 L294 D354 | E262-R290 IonicContact OE1-CZ 3.97Å; E262-R290 VanDerWaalsContact OE1-CZ 3.25Å; E262-R290 IonicContact OE1-NH1 2.97Å; E262-R290 PolarHBondContact OE1-NH1 2.89Å; E262-R290 IonicContact OE1-NH2 3Å; E262-R290 PolarHBondContact OE1-NH2 3.33Å; C285-R290 HydrophobicContact CB-CB 4.19Å; S287-R290 PolarHBondContact O-N 3.07Å; S287-R290 VanDerWaalsContact O-N 3.17Å; S287-R290 WeakPolarHBondContact OG-CB 3.4Å; S287-R290 VanDerWaalsContact OG-CG 3.32Å; S287-R290 WeakPolarHBondContact OG-CG 3.38Å; S287-R290 PolarHBondContact OG-N 2.9Å; A288-R290 VanDerWaalsContact C-N 3.32Å; A288-R290 PolarHBondContact O-N 2.96Å; R290-L293 PolarHBondContact O-N 3.13Å; R290-L294 WeakPolarHBondContact O-CB 3.24Å; R290-L294 PolarHBondContact O-N 2.84Å; R290-D354 IonicContact CZ-OD1 2.89Å; R290-D354 IonicContact CZ-OD2 2.79Å; R290-D354 IonicContact NE-OD1 3.87Å; R290-D354 IonicContact NE-OD2 2.7Å; R290-D354 PolarHBondContact NE-OD2 3.46Å; R290-D354 IonicContact NH2-OD1 3.26Å; R290-D354 PolarHBondContact NH2-OD1 3.24Å; R290-D354 IonicContact NH2-OD2 3.25Å |
| 291 | V | 98.5 | Very high | 97.7 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -55.9 | -52.3 | 174.9 | 163.5 | 0 | 0 | 0 | 0 | 110.9 | C285 S287 A288 L294 A295 Y307 V333 C334 T335 | C285-V291 HydrophobicContact CB-CG2 3.72Å; S287-V291 WeakPolarHBondContact O-CG2 3.44Å; S287-V291 PolarHBondContact O-N 2.99Å; A288-V291 WeakPolarHBondContact O-CB 3.43Å; A288-V291 PolarHBondContact O-N 3.45Å; V291-L294 PolarHBondContact O-N 3.03Å; V291-A295 WeakPolarHBondContact O-CB 3.41Å; V291-A295 PolarHBondContact O-N 2.91Å; V291-Y307 HydrophobicContact CG1-CD2 4.29Å; V291-Y307 HydrophobicContact CG1-CG 4.33Å; V291-V333 HydrophobicContact CB-CG1 4.12Å; V291-V333 HydrophobicContact CG1-CB 4.38Å; V291-V333 HydrophobicContact CG1-CG1 3.99Å; V291-V333 WeakPolarHBondContact CG1-O 3.48Å; V291-V333 HydrophobicContact CG2-CG1 4.1Å; V291-C334 VanDerWaalsContact CG2-C 3.41Å; V291-T335 HydrophobicContact CG2-CG2 3.69Å |
| 292 | E | 98.2 | Very high | 97.6 | Very high | 82 Ų | 82 | 52.3 Ų | 52.3 | 38% | 0.383 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -63.9 | -46 | -179.7 | -67.8 | 176.9 | -140.4 | 0 | 0 | 112.1 | A288 Q289 L294 A295 K296 Y307 H309 | A288-E292 PolarHBondContact O-N 3.43Å; Q289-E292 PolarHBondContact O-N 3.07Å; E292-L294 PolarHBondContact O-N 3.46Å; E292-A295 PolarHBondContact O-N 3.18Å; E292-K296 PolarHBondContact O-N 3.29Å; E292-Y307 HydrophobicContact CG-CD2 4.13Å; E292-Y307 HydrophobicContact CG-CE2 3.89Å; E292-H309 WeakPolarHBondContact CG-NE2 3.48Å; E292-H309 IonicContact OE1-CE1 3.03Å; E292-H309 PolarHBondContact OE1-CE1 3.27Å; E292-H309 IonicContact OE1-NE2 2.72Å; E292-H309 PolarHBondContact OE1-NE2 3.16Å; E292-H309 VanDerWaalsContact OE1-NE2 3.12Å |
| 293 | L | 98.3 | Very high | 97.6 | Very high | 101 Ų | 101 | 55.2 Ų | 55.2 | 53% | 0.529 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.2 | -42.6 | 179.2 | -71.6 | 174.2 | 0 | 0 | 0 | 112.1 | Q289 R290 K297 | Q289-L293 HydrophobicContact CG-CD1 4.04Å; Q289-L293 WeakPolarHBondContact O-CB 3.44Å; Q289-L293 VanDerWaalsContact O-CG 3.25Å; Q289-L293 WeakPolarHBondContact O-CG 3.44Å; Q289-L293 PolarHBondContact O-N 3.07Å; R290-L293 PolarHBondContact O-N 3.13Å; L293-K297 VanDerWaalsContact O-CG 3.32Å; L293-K297 WeakPolarHBondContact O-CG 3.21Å; L293-K297 PolarHBondContact O-N 2.85Å |
| 294 | L | 98.6 | Very high | 97.4 | Very high | 8 Ų | 8 | 58 Ų | 58 | 4% | 0.042 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -67.8 | -44.6 | 179.3 | -177.4 | 62.4 | 0 | 0 | 0 | 110.9 | V266 L269 I283 C285 R290 V291 E292 K296 K297 I298 V333 F353 | V266-L294 HydrophobicContact CG2-CD1 4.29Å; L269-L294 HydrophobicContact CD2-CD1 3.88Å; L269-L294 HydrophobicContact CD2-CD2 4.41Å; L269-L294 HydrophobicContact CD2-CG 4.45Å; I283-L294 HydrophobicContact CG2-CD2 3.85Å; C285-L294 WeakPolarHBondContact SG-CD2 3.37Å; R290-L294 WeakPolarHBondContact O-CB 3.24Å; R290-L294 PolarHBondContact O-N 2.84Å; V291-L294 PolarHBondContact O-N 3.03Å; E292-L294 PolarHBondContact O-N 3.46Å; L294-K296 VanDerWaalsContact C-N 3.31Å; L294-K296 PolarHBondContact O-N 2.89Å; L294-K297 CarbonylContact O-C 3.58Å; L294-K297 WeakPolarHBondContact O-CA 3.49Å; L294-K297 WeakPolarHBondContact O-CB 3.37Å; L294-K297 PolarHBondContact O-N 3.08Å; L294-I298 HydrophobicContact CD1-CD1 4.41Å; L294-I298 HydrophobicContact CD1-CG1 4.33Å; L294-I298 HydrophobicContact CD2-CD1 4.46Å; L294-I298 HydrophobicContact CG-CD1 3.94Å; L294-I298 HydrophobicContact CG-CG1 4.3Å; L294-I298 VanDerWaalsContact O-CG1 3.32Å; L294-I298 WeakPolarHBondContact O-CG1 2.99Å; L294-I298 PolarHBondContact O-N 3.22Å; L294-V333 HydrophobicContact CB-CG1 4.31Å; L294-V333 HydrophobicContact CD2-CG1 4.03Å; L294-V333 HydrophobicContact CD2-CG2 4.31Å; L294-V333 HydrophobicContact CG-CG1 4.45Å; L294-V333 HydrophobicContact CG-CG2 4.36Å; L294-F353 HydrophobicContact CD1-CD2 4.22Å; L294-F353 HydrophobicContact CD1-CE1 4.36Å; L294-F353 HydrophobicContact CD1-CE2 3.7Å; L294-F353 HydrophobicContact CD1-CZ 3.77Å; L294-F353 HydrophobicContact CD2-CB 4.12Å; L294-F353 HydrophobicContact CD2-CD1 3.93Å; L294-F353 HydrophobicContact CD2-CD2 3.7Å; L294-F353 HydrophobicContact CD2-CE1 4.23Å; L294-F353 HydrophobicContact CD2-CE2 4.02Å; L294-F353 HydrophobicContact CD2-CG 3.64Å; L294-F353 HydrophobicContact CD2-CZ 4.27Å |
| 295 | A | 98.5 | Very high | 97.4 | Very high | 3 Ų | 3 | 58.8 Ų | 58.8 | 3% | 0.025 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -58.4 | -44.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V291 E292 K297 I298 T299 Y307 V333 | V291-A295 WeakPolarHBondContact O-CB 3.41Å; V291-A295 PolarHBondContact O-N 2.91Å; E292-A295 PolarHBondContact O-N 3.18Å; A295-K297 VanDerWaalsContact C-N 3.3Å; A295-K297 PolarHBondContact O-N 3.26Å; A295-I298 PolarHBondContact O-N 3.37Å; A295-T299 PolarHBondContact O-N 2.9Å; A295-T299 PolarHBondContact O-OG1 2.81Å; A295-Y307 HydrophobicContact CB-CD1 3.79Å; A295-Y307 HydrophobicContact CB-CG 4.15Å; A295-V333 HydrophobicContact CB-CB 4.35Å; A295-V333 HydrophobicContact CB-CG2 4.25Å |
| 296 | K | 98.2 | Very high | 97.4 | Very high | 136 Ų | 136 | 62.3 Ų | 62.3 | 59% | 0.591 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58 | -42 | 173.1 | -175.2 | 175.5 | -177.9 | 175.1 | 0 | 112 | E292 L294 T299 Q300 | E292-K296 PolarHBondContact O-N 3.29Å; L294-K296 VanDerWaalsContact C-N 3.31Å; L294-K296 PolarHBondContact O-N 2.89Å; K296-T299 PolarHBondContact O-N 3.21Å; K296-Q300 VanDerWaalsContact O-CG 3.28Å; K296-Q300 WeakPolarHBondContact O-CG 3.48Å; K296-Q300 PolarHBondContact O-N 3.04Å |
| 297 | K | 98.3 | Very high | 97.5 | Very high | 101 Ų | 101 | 63 Ų | 63 | 44% | 0.439 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -40.9 | 177.5 | -73 | -73.8 | 166.8 | -159.9 | 0 | 112.5 | L293 L294 A295 T299 Q300 L301 | L293-K297 VanDerWaalsContact O-CG 3.32Å; L293-K297 WeakPolarHBondContact O-CG 3.21Å; L293-K297 PolarHBondContact O-N 2.85Å; L294-K297 CarbonylContact O-C 3.58Å; L294-K297 WeakPolarHBondContact O-CA 3.49Å; L294-K297 WeakPolarHBondContact O-CB 3.37Å; L294-K297 PolarHBondContact O-N 3.08Å; A295-K297 VanDerWaalsContact C-N 3.3Å; A295-K297 PolarHBondContact O-N 3.26Å; K297-T299 VanDerWaalsContact C-N 3.34Å; K297-T299 PolarHBondContact O-N 2.97Å; K297-Q300 WeakPolarHBondContact O-CB 3.48Å; K297-Q300 PolarHBondContact O-N 3.22Å; K297-L301 WeakPolarHBondContact O-CG 3.36Å; K297-L301 PolarHBondContact O-N 3.47Å |
| 298 | I | 98.5 | Very high | 97.5 | Very high | 1 Ų | 1 | 60.9 Ų | 60.9 | 1% | 0.005 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.5 | -43.7 | 176.1 | -66.9 | 171 | 0 | 0 | 0 | 110.6 | L269 F273 I283 L294 A295 Q300 L301 G302 Y303 C305 V333 | L269-I298 HydrophobicContact CD2-CD1 3.85Å; L269-I298 HydrophobicContact CD2-CG1 3.88Å; F273-I298 HydrophobicContact CE2-CB 4.43Å; F273-I298 HydrophobicContact CE2-CD1 4.31Å; F273-I298 HydrophobicContact CE2-CG1 3.99Å; F273-I298 HydrophobicContact CE2-CG2 3.73Å; F273-I298 HydrophobicContact CZ-CD1 4.11Å; F273-I298 HydrophobicContact CZ-CG1 4.3Å; F273-I298 HydrophobicContact CZ-CG2 4.07Å; I283-I298 HydrophobicContact CD1-CD1 3.66Å; L294-I298 HydrophobicContact CD1-CD1 4.41Å; L294-I298 HydrophobicContact CD1-CG1 4.33Å; L294-I298 HydrophobicContact CD2-CD1 4.46Å; L294-I298 HydrophobicContact CG-CD1 3.94Å; L294-I298 HydrophobicContact CG-CG1 4.3Å; L294-I298 VanDerWaalsContact O-CG1 3.32Å; L294-I298 WeakPolarHBondContact O-CG1 2.99Å; L294-I298 PolarHBondContact O-N 3.22Å; A295-I298 PolarHBondContact O-N 3.37Å; I298-Q300 PolarHBondContact O-N 3.29Å; I298-L301 WeakPolarHBondContact O-CB 3.3Å; I298-L301 PolarHBondContact O-N 2.93Å; I298-L301 VanDerWaalsContact O-N 3.16Å; I298-G302 PolarHBondContact O-N 3.17Å; I298-Y303 PolarHBondContact O-N 2.99Å; I298-C305 HydrophobicContact CB-CB 3.98Å; I298-C305 HydrophobicContact CG2-CB 3.57Å; I298-V333 HydrophobicContact CD1-CG2 3.51Å |
| 299 | T | 97.6 | Very high | 97.4 | Very high | 79 Ų | 79 | 60.4 Ų | 60.4 | 49% | 0.485 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 174.8 | -53.8 | 0 | 0 | 0 | 0 | 112.3 | A295 K296 K297 L301 G302 Y303 | A295-T299 PolarHBondContact O-N 2.9Å; A295-T299 PolarHBondContact O-OG1 2.81Å; K296-T299 PolarHBondContact O-N 3.21Å; K297-T299 VanDerWaalsContact C-N 3.34Å; K297-T299 PolarHBondContact O-N 2.97Å; T299-L301 PolarHBondContact O-N 2.9Å; T299-G302 PolarHBondContact O-N 2.73Å; T299-Y303 WeakPolarHBondContact CA-O 3.17Å |
| 300 | Q | 97.9 | Very high | 97 | Very high | 116 Ų | 116 | 57.6 Ų | 57.6 | 54% | 0.542 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -62.9 | -29.1 | 173.5 | -75.2 | 175.7 | -7.8 | 0 | 0 | 113.2 | K296 K297 I298 G302 | K296-Q300 VanDerWaalsContact O-CG 3.28Å; K296-Q300 WeakPolarHBondContact O-CG 3.48Å; K296-Q300 PolarHBondContact O-N 3.04Å; K297-Q300 WeakPolarHBondContact O-CB 3.48Å; K297-Q300 PolarHBondContact O-N 3.22Å; I298-Q300 PolarHBondContact O-N 3.29Å; Q300-G302 PolarHBondContact O-N 3.02Å |
| 301 | L | 96.2 | Very high | 96.8 | Very high | 70 Ų | 70 | 63.8 Ų | 63.8 | 37% | 0.366 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -3.6 | 173.8 | -67.4 | 169.4 | 0 | 0 | 0 | 113.1 | V266 N270 K297 I298 T299 Y303 | V266-L301 HydrophobicContact CG1-CD1 4.31Å; N270-L301 HydrophobicContact CB-CD1 3.98Å; K297-L301 WeakPolarHBondContact O-CG 3.36Å; K297-L301 PolarHBondContact O-N 3.47Å; I298-L301 WeakPolarHBondContact O-CB 3.3Å; I298-L301 PolarHBondContact O-N 2.93Å; I298-L301 VanDerWaalsContact O-N 3.16Å; T299-L301 PolarHBondContact O-N 2.9Å; L301-Y303 HydrophobicContact CB-CD2 3.8Å; L301-Y303 HydrophobicContact CB-CE2 3.96Å |
| 302 | G | 96.1 | Very high | 96.6 | Very high | 67 Ų | 67 | 65.3 Ų | 65.3 | 69% | 0.691 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 95.1 | 9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.2 | I298 T299 Q300 | I298-G302 PolarHBondContact O-N 3.17Å; T299-G302 PolarHBondContact O-N 2.73Å; Q300-G302 PolarHBondContact O-N 3.02Å |
| 303 | Y | 96.9 | Very high | 96.3 | Very high | 63 Ų | 63 | 63.8 Ų | 63.8 | 25% | 0.247 | 33% | 0.333 | C | S | . | . | trans | -101.2 | 139.9 | 179.7 | -57.6 | -82.3 | 0 | 0 | 0 | 111.9 | N270 F273 S274 I298 T299 L301 C305 | N270-Y303 WeakPolarHBondContact OD1-CE2 3.43Å; F273-Y303 HydrophobicContact CB-CD1 4.26Å; F273-Y303 HydrophobicContact CB-CD2 4.48Å; F273-Y303 HydrophobicContact CB-CE1 3.65Å; F273-Y303 HydrophobicContact CB-CE2 3.91Å; F273-Y303 VanDerWaalsContact CB-CZ 3.45Å; F273-Y303 HydrophobicContact CD2-CD1 4.32Å; F273-Y303 AromaticContact CD2-CD2 3.54Å; F273-Y303 HydrophobicContact CD2-CD2 3.54Å; F273-Y303 HydrophobicContact CD2-CE1 4.38Å; F273-Y303 AromaticContact CD2-CE2 3.61Å; F273-Y303 HydrophobicContact CD2-CE2 3.61Å; F273-Y303 AromaticContact CD2-CG 3.91Å; F273-Y303 HydrophobicContact CD2-CG 3.91Å; F273-Y303 HydrophobicContact CE2-CD2 4.09Å; F273-Y303 HydrophobicContact CE2-CG 4.33Å; F273-Y303 HydrophobicContact CG-CD1 4.41Å; F273-Y303 HydrophobicContact CG-CD2 4.35Å; F273-Y303 HydrophobicContact CG-CE1 4.27Å; F273-Y303 HydrophobicContact CG-CE2 4.2Å; F273-Y303 HydrophobicContact CG-CG 4.44Å; S274-Y303 PolarHBondContact OG-OH 3.47Å; I298-Y303 PolarHBondContact O-N 2.99Å; T299-Y303 WeakPolarHBondContact CA-O 3.17Å; L301-Y303 HydrophobicContact CB-CD2 3.8Å; L301-Y303 HydrophobicContact CB-CE2 3.96Å; Y303-C305 PolarHBondContact O-N 2.97Å | ||
| 304 | S | 94.6 | Very high | 95.8 | Very high | 57 Ų | 57 | 59.5 Ų | 59.5 | 40% | 0.399 | 31% | 0.31 | S | S | . | . | trans | -64.8 | 129.8 | 171.7 | 59.3 | 0 | 0 | 0 | 0 | 110.1 | C329 R330 N331 | S304-C329 VanDerWaalsContact C-SG 3.59Å; S304-R330 PolarHBondContact OG-N 3.19Å; S304-N331 WeakPolarHBondContact O-CB 3.33Å; S304-N331 PolarHBondContact O-N 3.33Å; S304-N331 PolarHBondContact O-ND2 2.98Å | ||
| 305 | C | 97.9 | Very high | 95.5 | Very high | 17 Ų | 17 | 66.2 Ų | 66.2 | 12% | 0.115 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -148.6 | 128.2 | -176.9 | -164.1 | 0 | 0 | 0 | 0 | 111.2 | I298 Y303 C329 N331 V333 | I298-C305 HydrophobicContact CB-CB 3.98Å; I298-C305 HydrophobicContact CG2-CB 3.57Å; Y303-C305 PolarHBondContact O-N 2.97Å; C305-C329 VanDerWaalsContact C-SG 3.57Å; C305-C329 VanDerWaalsContact CA-SG 3.55Å; C305-C329 PolarHBondContact N-SG 3.45Å; C305-N331 CarbonylContact C-O 3.58Å; C305-N331 WeakPolarHBondContact CA-O 3.32Å; C305-N331 HydrophobicContact CB-CB 4.45Å; C305-V333 VanDerWaalsContact SG-CG2 3.51Å |
| 306 | Y | 97 | Very high | 95.3 | Very high | 75 Ų | 75 | 70 Ų | 70 | 29% | 0.294 | 36% | 0.361 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 167.8 | 163.4 | -68.5 | -22.4 | 0 | 0 | 0 | 110.4 | V320 D323 F324 C329 N331 V333 | Y306-V320 HydrophobicContact CD2-CG1 4.16Å; Y306-V320 HydrophobicContact CG-CG1 4.24Å; Y306-D323 HydrophobicContact CE2-CB 3.71Å; Y306-F324 HydrophobicContact CD2-CB 4.43Å; Y306-C329 HydrophobicContact CD1-CB 4.26Å; Y306-C329 HydrophobicContact CD2-CB 3.39Å; Y306-C329 HydrophobicContact CE1-CB 4.23Å; Y306-C329 HydrophobicContact CE2-CB 3.35Å; Y306-C329 HydrophobicContact CG-CB 3.86Å; Y306-C329 PolarHBondContact N-SG 2.9Å; Y306-C329 VanDerWaalsContact N-SG 3.36Å; Y306-N331 PolarHBondContact N-O 3.46Å; Y306-V333 PolarHBondContact O-N 3.17Å |
| 307 | Y | 97.4 | Very high | 95 | Very high | 90 Ų | 90 | 64.4 Ų | 64.4 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 153.1 | 173.1 | 67.7 | -98.1 | 0 | 0 | 0 | 112.1 | V291 E292 A295 H309 M312 V333 | V291-Y307 HydrophobicContact CG1-CD2 4.29Å; V291-Y307 HydrophobicContact CG1-CG 4.33Å; E292-Y307 HydrophobicContact CG-CD2 4.13Å; E292-Y307 HydrophobicContact CG-CE2 3.89Å; A295-Y307 HydrophobicContact CB-CD1 3.79Å; A295-Y307 HydrophobicContact CB-CG 4.15Å; Y307-H309 AromaticContact CD2-CD2 3.74Å; Y307-H309 AromaticContact CD2-NE2 3.72Å; Y307-H309 AromaticContact CE2-NE2 3.6Å; Y307-M312 HydrophobicContact CD2-CE 4.49Å; Y307-M312 HydrophobicContact CD2-SD 3.83Å; Y307-M312 HydrophobicContact CE2-CE 4.18Å; Y307-M312 HydrophobicContact CE2-CG 4.43Å; Y307-M312 HydrophobicContact CE2-SD 3.77Å; Y307-V333 CarbonylContact C-O 3.53Å; Y307-V333 WeakPolarHBondContact CA-O 3.33Å |
| 308 | I | 95.7 | Very high | 94.6 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.1 | 129.8 | 178.5 | -166.6 | -179.2 | 0 | 0 | 0 | 113 | M312 R317 V320 L332 V333 C334 T335 L337 L338 | I308-M312 HydrophobicContact CB-SD 4.44Å; I308-M312 HydrophobicContact CG1-SD 4.34Å; I308-R317 HydrophobicContact CD1-CB 3.86Å; I308-R317 HydrophobicContact CD1-CG 4.01Å; I308-R317 HydrophobicContact CG1-CB 4.18Å; I308-R317 HydrophobicContact CG1-CG 3.78Å; I308-V320 HydrophobicContact CB-CG1 4.35Å; I308-L332 HydrophobicContact CB-CD1 4.33Å; I308-L332 HydrophobicContact CG2-CD1 3.82Å; I308-L332 HydrophobicContact CG2-CD2 4.13Å; I308-L332 HydrophobicContact CG2-CG 4.14Å; I308-V333 PolarHBondContact N-O 3.44Å; I308-C334 HydrophobicContact CG2-CB 3.41Å; I308-C334 VanDerWaalsContact CG2-CB 3.41Å; I308-C334 VanDerWaalsContact O-CA 3.26Å; I308-C334 WeakPolarHBondContact O-CA 3.32Å; I308-C334 WeakPolarHBondContact O-CB 3.17Å; I308-T335 PolarHBondContact O-N 3.45Å; I308-L337 HydrophobicContact CD1-CD2 4.45Å; I308-L337 HydrophobicContact CG1-CD2 4.2Å; I308-L338 HydrophobicContact CD1-CD1 3.93Å; I308-L338 HydrophobicContact CD1-CD2 4.07Å; I308-L338 HydrophobicContact CD1-CG 4.14Å; I308-L338 HydrophobicContact CG2-CD1 3.36Å; I308-L338 HydrophobicContact CG2-CG 3.84Å |
| 309 | H | 94.9 | Very high | 94.3 | Very high | 4 Ų | 4 | 69.7 Ų | 69.7 | 2% | 0.019 | 36% | 0.356 | C | S | . | . | trans | -153.9 | 166.7 | 176.5 | 56.5 | 88.3 | 0 | 0 | 0 | 111.4 | A288 E292 Y307 R311 M312 T335 | A288-H309 HydrophobicContact CB-CB 3.95Å; A288-H309 WeakPolarHBondContact CB-ND1 3.45Å; E292-H309 WeakPolarHBondContact CG-NE2 3.48Å; E292-H309 IonicContact OE1-CE1 3.03Å; E292-H309 PolarHBondContact OE1-CE1 3.27Å; E292-H309 IonicContact OE1-NE2 2.72Å; E292-H309 PolarHBondContact OE1-NE2 3.16Å; E292-H309 VanDerWaalsContact OE1-NE2 3.12Å; Y307-H309 AromaticContact CD2-CD2 3.74Å; Y307-H309 AromaticContact CD2-NE2 3.72Å; Y307-H309 AromaticContact CE2-NE2 3.6Å; H309-R311 WeakPolarHBondContact ND1-CB 3.32Å; H309-R311 PolarHBondContact ND1-N 2.84Å; H309-R311 PolarHBondContact O-N 3.43Å; H309-R311 VanDerWaalsContact O-N 3.09Å; H309-M312 WeakPolarHBondContact O-CB 3.44Å; H309-M312 PolarHBondContact O-N 3.25Å; H309-M312 VanDerWaalsContact O-N 3.16Å; H309-T335 HydrophobicContact CB-CG2 3.98Å | ||
| 310 | A | 91 | Very high | 94.2 | Very high | 70 Ų | 70 | 67 Ų | 67 | 58% | 0.579 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.5 | -14 | -172.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | M312 | A310-M312 VanDerWaalsContact C-N 3.33Š|
| 311 | R | 92.6 | Very high | 93.8 | Very high | 199 Ų | 199 | 62 Ų | 62 | 75% | 0.751 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.1 | -9.5 | 177.4 | -57.7 | -179.6 | 176.7 | 175.1 | -3.7 | 113.4 | A288 H309 | A288-R311 HydrophobicContact CB-CG 4.32Å; H309-R311 WeakPolarHBondContact ND1-CB 3.32Å; H309-R311 PolarHBondContact ND1-N 2.84Å; H309-R311 PolarHBondContact O-N 3.43Å; H309-R311 VanDerWaalsContact O-N 3.09Å |
| 312 | M | 93.9 | Very high | 93.6 | Very high | 32 Ų | 32 | 63.3 Ų | 63.3 | 16% | 0.158 | 32% | 0.32 | C | S | . | . | S | Bend | trans | -77.6 | 153.2 | 175.2 | -65.2 | 171.8 | 70.2 | 0 | 0 | 110.8 | Y307 I308 H309 A310 D316 R317 V320 | Y307-M312 HydrophobicContact CD2-CE 4.49Å; Y307-M312 HydrophobicContact CD2-SD 3.83Å; Y307-M312 HydrophobicContact CE2-CE 4.18Å; Y307-M312 HydrophobicContact CE2-CG 4.43Å; Y307-M312 HydrophobicContact CE2-SD 3.77Å; I308-M312 HydrophobicContact CB-SD 4.44Å; I308-M312 HydrophobicContact CG1-SD 4.34Å; H309-M312 WeakPolarHBondContact O-CB 3.44Å; H309-M312 PolarHBondContact O-N 3.25Å; H309-M312 VanDerWaalsContact O-N 3.16Å; A310-M312 VanDerWaalsContact C-N 3.33Å; M312-D316 HydrophobicContact CE-CB 3.91Å; M312-R317 HydrophobicContact CB-CG 3.71Å; M312-V320 HydrophobicContact CE-CG2 4.17Å |
| 313 | S | 92.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 61.8 Ų | 61.8 | 36% | 0.357 | 30% | 0.296 | S | S | . | . | trans | -59.9 | 151.6 | 170.9 | 83.2 | 0 | 0 | 0 | 0 | 110.4 | Q315 D316 R317 | S313-Q315 PolarHBondContact O-N 3.18Å; S313-D316 WeakPolarHBondContact CB-OD2 3.27Å; S313-D316 PolarHBondContact O-N 2.94Å; S313-D316 WeakPolarHBondContact OG-CB 3.45Å; S313-D316 PolarHBondContact OG-N 3.38Å; S313-D316 VanDerWaalsContact OG-N 3.08Å; S313-D316 PolarHBondContact OG-OD2 2.85Å; S313-R317 WeakPolarHBondContact O-CG 3.39Å; S313-R317 PolarHBondContact O-N 3.37Å | ||
| 314 | Q | 88.9 | Confident | 93.3 | Very high | 11 Ų | 11 | 58.8 Ų | 58.8 | 5% | 0.051 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 176.7 | -172.1 | 61 | 48.9 | 0 | 0 | 111.9 | R317 N318 | Q314-R317 PolarHBondContact O-N 3.35Å; Q314-N318 PolarHBondContact NE2-OD1 3.35Å; Q314-N318 WeakPolarHBondContact O-CB 3.33Å; Q314-N318 PolarHBondContact O-N 2.93Å; Q314-N318 PolarHBondContact O-OD1 3.38Å |
| 315 | Q | 90.9 | Very high | 93.1 | Very high | 148 Ų | 148 | 59.2 Ų | 59.2 | 69% | 0.692 | 28% | 0.277 | S | S | * | . | H | α-helix | trans | -63.3 | -45.3 | -179.4 | -69 | 176.7 | -19.9 | 0 | 0 | 111 | S313 N318 R319 | S313-Q315 PolarHBondContact O-N 3.18Å; Q315-N318 PolarHBondContact O-N 3.06Å; Q315-R319 WeakPolarHBondContact O-CB 3.37Å; Q315-R319 PolarHBondContact O-N 3.36Å |
| 316 | D | 93.9 | Very high | 92.8 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 176.9 | -61.4 | -40.2 | 0 | 0 | 0 | 111.6 | M312 S313 N318 R319 V320 | M312-D316 HydrophobicContact CE-CB 3.91Å; S313-D316 WeakPolarHBondContact CB-OD2 3.27Å; S313-D316 PolarHBondContact O-N 2.94Å; S313-D316 WeakPolarHBondContact OG-CB 3.45Å; S313-D316 PolarHBondContact OG-N 3.38Å; S313-D316 VanDerWaalsContact OG-N 3.08Å; S313-D316 PolarHBondContact OG-OD2 2.85Å; D316-N318 PolarHBondContact O-N 2.82Å; D316-R319 PolarHBondContact O-N 3.29Å; D316-V320 WeakPolarHBondContact O-CB 3.37Å; D316-V320 WeakPolarHBondContact O-CG2 3.45Å; D316-V320 PolarHBondContact O-N 2.72Å |
| 317 | R | 92.4 | Very high | 92.5 | Very high | 19 Ų | 19 | 61.4 Ų | 61.4 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.3 | -46.4 | 175.2 | -71.9 | -162.6 | -69.5 | 173.2 | -12.7 | 112 | E120 I308 M312 S313 Q314 R319 F321 L337 | E120-R317 IonicContact OE1-CZ 3.51Å; E120-R317 IonicContact OE1-NE 2.66Å; E120-R317 IonicContact OE1-NH1 3.53Å; E120-R317 PolarHBondContact OE1-NH1 3.18Å; I308-R317 HydrophobicContact CD1-CB 3.86Å; I308-R317 HydrophobicContact CD1-CG 4.01Å; I308-R317 HydrophobicContact CG1-CB 4.18Å; I308-R317 HydrophobicContact CG1-CG 3.78Å; M312-R317 HydrophobicContact CB-CG 3.71Å; S313-R317 WeakPolarHBondContact O-CG 3.39Å; S313-R317 PolarHBondContact O-N 3.37Å; Q314-R317 PolarHBondContact O-N 3.35Å; R317-R319 VanDerWaalsContact C-N 3.34Å; R317-F321 WeakPolarHBondContact O-CB 3.27Å; R317-F321 PolarHBondContact O-N 2.96Å; R317-L337 VanDerWaalsContact NH1-CD2 3.32Å |
| 318 | N | 90.1 | Very high | 92.3 | Very high | 41 Ų | 41 | 60.9 Ų | 60.9 | 22% | 0.219 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -61.8 | -44.1 | 177.8 | -71.7 | -5 | 0 | 0 | 0 | 111.1 | L123 Q314 Q315 D316 F321 H322 | L123-N318 VanDerWaalsContact CD1-OD1 3.3Å; L123-N318 WeakPolarHBondContact CD1-OD1 3.45Å; Q314-N318 PolarHBondContact NE2-OD1 3.35Å; Q314-N318 WeakPolarHBondContact O-CB 3.33Å; Q314-N318 PolarHBondContact O-N 2.93Å; Q314-N318 PolarHBondContact O-OD1 3.38Å; Q315-N318 PolarHBondContact O-N 3.06Å; D316-N318 PolarHBondContact O-N 2.82Å; N318-F321 PolarHBondContact O-N 3.19Å; N318-H322 WeakPolarHBondContact O-CB 3.29Å; N318-H322 PolarHBondContact O-N 3.01Å |
| 319 | R | 93.3 | Very high | 92.2 | Very high | 172 Ų | 172 | 61 Ų | 61 | 65% | 0.649 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -61.3 | -53.8 | 177.6 | -179.3 | -179.5 | 178.7 | 169.8 | 3 | 111.5 | Q315 D316 R317 F321 H322 D323 | Q315-R319 WeakPolarHBondContact O-CB 3.37Å; Q315-R319 PolarHBondContact O-N 3.36Å; D316-R319 PolarHBondContact O-N 3.29Å; R317-R319 VanDerWaalsContact C-N 3.34Å; R319-F321 VanDerWaalsContact C-N 3.27Å; R319-F321 PolarHBondContact O-N 3.03Å; R319-H322 PolarHBondContact O-N 3.36Å; R319-D323 IonicContact NE-OD2 2.97Å; R319-D323 WeakPolarHBondContact O-CB 3.34Å; R319-D323 VanDerWaalsContact O-CG 3.27Å; R319-D323 PolarHBondContact O-N 2.75Å |
| 320 | V | 93.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 66.6 Ų | 66.6 | 13% | 0.133 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.5 | -43.7 | 178.5 | 167 | 0 | 0 | 0 | 0 | 111.1 | Y306 I308 M312 D316 F324 L332 | Y306-V320 HydrophobicContact CD2-CG1 4.16Å; Y306-V320 HydrophobicContact CG-CG1 4.24Å; I308-V320 HydrophobicContact CB-CG1 4.35Å; M312-V320 HydrophobicContact CE-CG2 4.17Å; D316-V320 WeakPolarHBondContact O-CB 3.37Å; D316-V320 WeakPolarHBondContact O-CG2 3.45Å; D316-V320 PolarHBondContact O-N 2.72Å; V320-F324 WeakPolarHBondContact O-CB 3.34Å; V320-F324 PolarHBondContact O-N 2.97Å; V320-L332 HydrophobicContact CG1-CD1 3.82Å |
| 321 | F | 91.1 | Very high | 92.5 | Very high | 11 Ų | 11 | 63.4 Ų | 63.4 | 5% | 0.048 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -65.2 | -43.4 | 179.4 | -178.3 | -113.9 | 0 | 0 | 0 | 112.2 | R317 N318 R319 R325 L338 I342 I344 | R317-F321 WeakPolarHBondContact O-CB 3.27Å; R317-F321 PolarHBondContact O-N 2.96Å; N318-F321 PolarHBondContact O-N 3.19Å; R319-F321 VanDerWaalsContact C-N 3.27Å; R319-F321 PolarHBondContact O-N 3.03Å; F321-R325 WeakPolarHBondContact O-CB 3.42Å; F321-R325 PolarHBondContact O-N 2.83Å; F321-L338 HydrophobicContact CD2-CD1 4.26Å; F321-I342 HydrophobicContact CE1-CD1 4.44Å; F321-I342 HydrophobicContact CE2-CB 4.48Å; F321-I342 HydrophobicContact CE2-CD1 4.11Å; F321-I342 HydrophobicContact CE2-CG1 4.34Å; F321-I342 HydrophobicContact CE2-CG2 3.4Å; F321-I342 HydrophobicContact CZ-CD1 3.77Å; F321-I342 HydrophobicContact CZ-CG1 4.44Å; F321-I342 HydrophobicContact CZ-CG2 3.73Å; F321-I344 HydrophobicContact CE2-CD1 4.06Å |
| 322 | H | 90.7 | Very high | 92.8 | Very high | 98 Ų | 98 | 54 Ų | 54 | 45% | 0.454 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -61.6 | -52 | 176.2 | -179.9 | 76.5 | 0 | 0 | 0 | 111.7 | N318 R319 F324 R325 N326 | N318-H322 WeakPolarHBondContact O-CB 3.29Å; N318-H322 PolarHBondContact O-N 3.01Å; R319-H322 PolarHBondContact O-N 3.36Å; H322-F324 VanDerWaalsContact C-N 3.32Å; H322-F324 PolarHBondContact O-N 2.77Å; H322-R325 PolarHBondContact O-N 2.99Å; H322-N326 PolarHBondContact CD2-ND2 3.08Å; H322-N326 PolarHBondContact CE1-ND2 2.95Å; H322-N326 VanDerWaalsContact CE1-ND2 3.3Å; H322-N326 PolarHBondContact NE2-ND2 2.82Å; H322-N326 PolarHBondContact O-N 3.33Å; H322-N326 PolarHBondContact O-ND2 3.01Å |
| 323 | D | 94 | Very high | 93 | Very high | 35 Ų | 35 | 52.4 Ų | 52.4 | 19% | 0.187 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | -179 | -65.7 | -12.8 | 0 | 0 | 0 | 110.8 | Y306 R319 N326 G327 C328 | Y306-D323 HydrophobicContact CE2-CB 3.71Å; R319-D323 IonicContact NE-OD2 2.97Å; R319-D323 WeakPolarHBondContact O-CB 3.34Å; R319-D323 VanDerWaalsContact O-CG 3.27Å; R319-D323 PolarHBondContact O-N 2.75Å; D323-N326 PolarHBondContact O-N 2.83Å; D323-G327 PolarHBondContact O-N 2.92Å; D323-C328 HydrophobicContact CB-CB 4.14Å; D323-C328 WeakPolarHBondContact O-CB 3.28Å; D323-C328 PolarHBondContact O-N 2.99Å; D323-C328 PolarHBondContact O-SG 3.46Å |
| 324 | F | 93.2 | Very high | 93.2 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.4 | -43.7 | 175.6 | -175.6 | -112.6 | 0 | 0 | 0 | 112 | Q280 S281 I282 Y306 V320 H322 N326 G327 C329 L332 I344 V347 | Q280-F324 HydrophobicContact CB-CE2 4.23Å; Q280-F324 HydrophobicContact CB-CZ 4.07Å; Q280-F324 VanDerWaalsContact NE2-CE2 3.3Å; Q280-F324 PolarHBondContact NE2-O 3.24Å; S281-F324 WeakPolarHBondContact O-CZ 3.44Å; I282-F324 HydrophobicContact CD1-CE1 4.12Å; I282-F324 HydrophobicContact CG1-CE1 3.86Å; I282-F324 HydrophobicContact CG1-CZ 3.99Å; Y306-F324 HydrophobicContact CD2-CB 4.43Å; V320-F324 WeakPolarHBondContact O-CB 3.34Å; V320-F324 PolarHBondContact O-N 2.97Å; H322-F324 VanDerWaalsContact C-N 3.32Å; H322-F324 PolarHBondContact O-N 2.77Å; F324-N326 VanDerWaalsContact C-N 3.26Å; F324-N326 PolarHBondContact O-N 3.06Å; F324-G327 PolarHBondContact O-N 2.83Å; F324-C329 HydrophobicContact CD2-CB 4.35Å; F324-C329 VanDerWaalsContact CD2-O 3.23Å; F324-C329 WeakPolarHBondContact CD2-O 3.19Å; F324-C329 WeakPolarHBondContact CE2-O 3.4Å; F324-L332 HydrophobicContact CD1-CB 4Å; F324-L332 HydrophobicContact CD1-CD2 3.53Å; F324-L332 HydrophobicContact CD1-CG 4.36Å; F324-L332 HydrophobicContact CD2-CB 3.83Å; F324-L332 HydrophobicContact CE1-CB 3.78Å; F324-L332 HydrophobicContact CE1-CD2 3.78Å; F324-L332 HydrophobicContact CE1-CG 4.45Å; F324-L332 HydrophobicContact CE2-CB 3.6Å; F324-L332 HydrophobicContact CG-CB 4.04Å; F324-L332 HydrophobicContact CG-CD2 4.03Å; F324-L332 HydrophobicContact CZ-CB 3.58Å; F324-L332 HydrophobicContact CZ-CD2 4.45Å; F324-I344 HydrophobicContact CD1-CD1 3.38Å; F324-I344 HydrophobicContact CE1-CD1 3.43Å; F324-I344 VanDerWaalsContact CE1-CD1 3.43Å; F324-V347 HydrophobicContact CE1-CG2 4.02Å; F324-V347 HydrophobicContact CZ-CG2 4.04Å |
| 325 | R | 90.2 | Very high | 93.5 | Very high | 66 Ų | 66 | 50.4 Ų | 50.4 | 25% | 0.249 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -64.5 | -30.1 | 178.4 | -173.6 | 169.5 | 178 | -121.9 | 10.2 | 112.9 | F321 H322 G327 I344 | F321-R325 WeakPolarHBondContact O-CB 3.42Å; F321-R325 PolarHBondContact O-N 2.83Å; H322-R325 PolarHBondContact O-N 2.99Å; R325-G327 PolarHBondContact O-N 3.03Å; R325-I344 HydrophobicContact CG-CG1 4.49Å |
| 326 | N | 91 | Very high | 93.5 | Very high | 97 Ų | 97 | 46.1 Ų | 46.1 | 52% | 0.519 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | 4.5 | 175 | -65.8 | -17.7 | 0 | 0 | 0 | 113.6 | H322 D323 F324 C328 | H322-N326 PolarHBondContact CD2-ND2 3.08Å; H322-N326 PolarHBondContact CE1-ND2 2.95Å; H322-N326 VanDerWaalsContact CE1-ND2 3.3Å; H322-N326 PolarHBondContact NE2-ND2 2.82Å; H322-N326 PolarHBondContact O-N 3.33Å; H322-N326 PolarHBondContact O-ND2 3.01Å; D323-N326 PolarHBondContact O-N 2.83Å; F324-N326 VanDerWaalsContact C-N 3.26Å; F324-N326 PolarHBondContact O-N 3.06Å; N326-C328 VanDerWaalsContact C-N 3.33Å; N326-C328 PolarHBondContact O-N 2.79Å |
| 327 | G | 91.1 | Very high | 93 | Very high | 42 Ų | 42 | 44 Ų | 44 | 43% | 0.433 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.4 | 10.9 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | D323 F324 R325 C329 | D323-G327 PolarHBondContact O-N 2.92Å; F324-G327 PolarHBondContact O-N 2.83Å; R325-G327 PolarHBondContact O-N 3.03Å; G327-C329 PolarHBondContact O-N 2.88Å |
| 328 | C | 93 | Very high | 92.2 | Very high | 78 Ų | 78 | 43.1 Ų | 43.1 | 53% | 0.527 | 22% | 0.216 | S | C | . | . | S | Bend | trans | -67.3 | -17.8 | -179.7 | -55.3 | 0 | 0 | 0 | 0 | 113.1 | D323 N326 | D323-C328 HydrophobicContact CB-CB 4.14Å; D323-C328 WeakPolarHBondContact O-CB 3.28Å; D323-C328 PolarHBondContact O-N 2.99Å; D323-C328 PolarHBondContact O-SG 3.46Å; N326-C328 VanDerWaalsContact C-N 3.33Å; N326-C328 PolarHBondContact O-N 2.79Å |
| 329 | C | 94.3 | Very high | 91.5 | Very high | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 21% | 0.208 | C | C | . | . | trans | -140.2 | 139 | 178.1 | -176.2 | 0 | 0 | 0 | 0 | 110.9 | Q280 S304 C305 Y306 F324 G327 N331 | Q280-C329 PolarHBondContact NE2-O 2.99Å; S304-C329 VanDerWaalsContact C-SG 3.59Å; C305-C329 VanDerWaalsContact C-SG 3.57Å; C305-C329 VanDerWaalsContact CA-SG 3.55Å; C305-C329 PolarHBondContact N-SG 3.45Å; Y306-C329 HydrophobicContact CD1-CB 4.26Å; Y306-C329 HydrophobicContact CD2-CB 3.39Å; Y306-C329 HydrophobicContact CE1-CB 4.23Å; Y306-C329 HydrophobicContact CE2-CB 3.35Å; Y306-C329 HydrophobicContact CG-CB 3.86Å; Y306-C329 PolarHBondContact N-SG 2.9Å; Y306-C329 VanDerWaalsContact N-SG 3.36Å; F324-C329 HydrophobicContact CD2-CB 4.35Å; F324-C329 VanDerWaalsContact CD2-O 3.23Å; F324-C329 WeakPolarHBondContact CD2-O 3.19Å; F324-C329 WeakPolarHBondContact CE2-O 3.4Å; G327-C329 PolarHBondContact O-N 2.88Å; C329-N331 PolarHBondContact SG-O 3.31Å | ||
| 330 | R | 95.1 | Very high | 90.8 | Very high | 122 Ų | 122 | 34.4 Ų | 34.4 | 46% | 0.46 | 18% | 0.181 | S | C | . | . | S | Bend | trans | -81.7 | -30.1 | -175.9 | -71.9 | 170.8 | 61.1 | 84.7 | -7.9 | 113 | I278 S279 Q280 S281 S304 | I278-R330 PolarHBondContact O-NH1 2.89Å; I278-R330 VanDerWaalsContact O-NH1 3.14Å; I278-R330 PolarHBondContact O-NH2 3.22Å; S279-R330 PolarHBondContact O-NH1 3.43Å; Q280-R330 CarbonylContact C-O 3.57Å; Q280-R330 WeakPolarHBondContact CA-O 2.94Å; S281-R330 PolarHBondContact N-O 3.29Å; S304-R330 PolarHBondContact OG-N 3.19Å |
| 331 | N | 97.8 | Very high | 89.8 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 135.6 | -175.1 | -51.2 | -70.9 | 0 | 0 | 0 | 111.2 | F273 S281 I283 S304 C305 Y306 C329 | F273-N331 WeakPolarHBondContact CE1-OD1 3.32Å; S281-N331 PolarHBondContact OG-OD1 3.42Å; I283-N331 HydrophobicContact CD1-CB 4.4Å; S304-N331 WeakPolarHBondContact O-CB 3.33Å; S304-N331 PolarHBondContact O-N 3.33Å; S304-N331 PolarHBondContact O-ND2 2.98Å; C305-N331 CarbonylContact C-O 3.58Å; C305-N331 WeakPolarHBondContact CA-O 3.32Å; C305-N331 HydrophobicContact CB-CB 4.45Å; Y306-N331 PolarHBondContact N-O 3.46Å; C329-N331 PolarHBondContact SG-O 3.31Å |
| 332 | L | 97.2 | Very high | 89.3 | Confident | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 117.3 | 173.6 | 179.6 | 64 | 0 | 0 | 0 | 110.1 | S281 I282 I283 I308 V320 F324 L338 | S281-L332 PolarHBondContact O-N 3.33Å; I282-L332 CarbonylContact C-O 3.55Å; I282-L332 WeakPolarHBondContact CA-O 3.42Å; I283-L332 PolarHBondContact N-O 2.78Å; I308-L332 HydrophobicContact CB-CD1 4.33Å; I308-L332 HydrophobicContact CG2-CD1 3.82Å; I308-L332 HydrophobicContact CG2-CD2 4.13Å; I308-L332 HydrophobicContact CG2-CG 4.14Å; V320-L332 HydrophobicContact CG1-CD1 3.82Å; F324-L332 HydrophobicContact CD1-CB 4Å; F324-L332 HydrophobicContact CD1-CD2 3.53Å; F324-L332 HydrophobicContact CD1-CG 4.36Å; F324-L332 HydrophobicContact CD2-CB 3.83Å; F324-L332 HydrophobicContact CE1-CB 3.78Å; F324-L332 HydrophobicContact CE1-CD2 3.78Å; F324-L332 HydrophobicContact CE1-CG 4.45Å; F324-L332 HydrophobicContact CE2-CB 3.6Å; F324-L332 HydrophobicContact CG-CB 4.04Å; F324-L332 HydrophobicContact CG-CD2 4.03Å; F324-L332 HydrophobicContact CZ-CB 3.58Å; F324-L332 HydrophobicContact CZ-CD2 4.45Å; L332-L338 HydrophobicContact CD2-CD1 3.65Å |
| 333 | V | 98.4 | Very high | 89 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 128.1 | 172.6 | -175.7 | 0 | 0 | 0 | 0 | 109.4 | I283 V291 L294 A295 I298 C305 Y306 Y307 I308 | I283-V333 HydrophobicContact CB-CG2 4.12Å; I283-V333 HydrophobicContact CD1-CG2 4.25Å; I283-V333 CarbonylContact O-C 3.59Å; I283-V333 VanDerWaalsContact O-CA 3.29Å; I283-V333 WeakPolarHBondContact O-CA 3.43Å; V291-V333 HydrophobicContact CB-CG1 4.12Å; V291-V333 HydrophobicContact CG1-CB 4.38Å; V291-V333 HydrophobicContact CG1-CG1 3.99Å; V291-V333 WeakPolarHBondContact CG1-O 3.48Å; V291-V333 HydrophobicContact CG2-CG1 4.1Å; L294-V333 HydrophobicContact CB-CG1 4.31Å; L294-V333 HydrophobicContact CD2-CG1 4.03Å; L294-V333 HydrophobicContact CD2-CG2 4.31Å; L294-V333 HydrophobicContact CG-CG1 4.45Å; L294-V333 HydrophobicContact CG-CG2 4.36Å; A295-V333 HydrophobicContact CB-CB 4.35Å; A295-V333 HydrophobicContact CB-CG2 4.25Å; I298-V333 HydrophobicContact CD1-CG2 3.51Å; C305-V333 VanDerWaalsContact SG-CG2 3.51Å; Y306-V333 PolarHBondContact O-N 3.17Å; Y307-V333 CarbonylContact C-O 3.53Å; Y307-V333 WeakPolarHBondContact CA-O 3.33Å; I308-V333 PolarHBondContact N-O 3.44Å |
| 334 | C | 96.9 | Very high | 88.8 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.5 | 162.6 | -177.9 | 65.2 | 0 | 0 | 0 | 0 | 114 | I282 I283 F284 C285 V291 I308 | I282-C334 VanDerWaalsContact CG2-SG 3.57Å; I283-C334 PolarHBondContact O-N 3.01Å; F284-C334 CarbonylContact C-O 3.53Å; F284-C334 WeakPolarHBondContact CA-O 3.37Å; F284-C334 WeakPolarHBondContact CD1-SG 3.18Å; F284-C334 WeakPolarHBondContact CE1-SG 3.42Å; C285-C334 PolarHBondContact N-O 2.79Å; V291-C334 VanDerWaalsContact CG2-C 3.41Å; I308-C334 HydrophobicContact CG2-CB 3.41Å; I308-C334 VanDerWaalsContact CG2-CB 3.41Å; I308-C334 VanDerWaalsContact O-CA 3.26Å; I308-C334 WeakPolarHBondContact O-CA 3.32Å; I308-C334 WeakPolarHBondContact O-CB 3.17Å |
| 335 | T | 95.6 | Very high | 88.4 | Confident | 19 Ų | 19 | 33 Ų | 33 | 12% | 0.117 | 18% | 0.183 | C | C | . | . | trans | -82.2 | -176.5 | 163.2 | 54.9 | 0 | 0 | 0 | 0 | 109.8 | V291 I308 H309 L337 | V291-T335 HydrophobicContact CG2-CG2 3.69Å; I308-T335 PolarHBondContact O-N 3.45Å; H309-T335 HydrophobicContact CB-CG2 3.98Å; T335-L337 PolarHBondContact O-N 2.99Å | ||
| 336 | D | 90.8 | Very high | 88.4 | Confident | 59 Ų | 59 | 32.8 Ų | 32.8 | 32% | 0.316 | 19% | 0.189 | S | C | . | . | G | 310 helix | trans | -61.6 | -3.5 | 176.3 | -66.9 | -51.3 | 0 | 0 | 0 | 115.3 | L338 T339 T361 R365 | D336-L338 VanDerWaalsContact C-N 3.26Å; D336-L338 PolarHBondContact O-N 3.12Å; D336-T339 HydrophobicContact CB-CG2 4.08Å; D336-T339 WeakPolarHBondContact O-CB 3.44Å; D336-T339 WeakPolarHBondContact O-CG2 3.27Å; D336-T339 PolarHBondContact O-N 3.17Å; D336-T339 PolarHBondContact O-OG1 3.25Å; D336-T339 WeakPolarHBondContact OD1-CG2 3.07Å; D336-T361 HydrophobicContact CB-CG2 4.49Å; D336-T361 WeakPolarHBondContact OD1-CG2 3.43Å; D336-R365 IonicContact OD1-CZ 2.94Å; D336-R365 IonicContact OD1-NE 2.73Å; D336-R365 PolarHBondContact OD1-NE 2.76Å; D336-R365 IonicContact OD1-NH2 3.11Å; D336-R365 PolarHBondContact OD1-NH2 3.48Å; D336-R365 IonicContact OD2-CZ 3.39Å; D336-R365 IonicContact OD2-NH2 3.39Å; D336-R365 PolarHBondContact OD2-NH2 3.08Å |
| 337 | L | 82.6 | Confident | 88.6 | Confident | 36 Ų | 36 | 28.4 Ų | 28.4 | 19% | 0.188 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -50.8 | -40.9 | 175.4 | -179 | 69.8 | 0 | 0 | 0 | 113.4 | I308 R317 T335 | I308-L337 HydrophobicContact CD1-CD2 4.45Å; I308-L337 HydrophobicContact CG1-CD2 4.2Å; R317-L337 VanDerWaalsContact NH1-CD2 3.32Å; T335-L337 PolarHBondContact O-N 2.99Å |
| 338 | L | 76.6 | Confident | 88.9 | Confident | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | G | 310 helix | trans | -101.5 | 19 | -176 | -68.4 | -165.3 | 0 | 0 | 0 | 114.5 | E120 I308 F321 L332 D336 R340 I342 | E120-L338 HydrophobicContact CB-CD2 3.89Å; E120-L338 HydrophobicContact CG-CD2 3.73Å; I308-L338 HydrophobicContact CD1-CD1 3.93Å; I308-L338 HydrophobicContact CD1-CD2 4.07Å; I308-L338 HydrophobicContact CD1-CG 4.14Å; I308-L338 HydrophobicContact CG2-CD1 3.36Å; I308-L338 HydrophobicContact CG2-CG 3.84Å; F321-L338 HydrophobicContact CD2-CD1 4.26Å; L332-L338 HydrophobicContact CD2-CD1 3.65Å; D336-L338 VanDerWaalsContact C-N 3.26Å; D336-L338 PolarHBondContact O-N 3.12Å; L338-R340 PolarHBondContact O-N 2.84Å; L338-I342 HydrophobicContact CD2-CG1 4.31Å |
| 339 | T | 75.9 | Confident | 89.1 | Confident | 7 Ų | 7 | 23.3 Ų | 23.3 | 4% | 0.043 | 12% | 0.123 | C | C | . | . | trans | -77.2 | -18.7 | -175 | 53.5 | 0 | 0 | 0 | 0 | 114.1 | F284 D336 H364 R365 R368 | F284-T339 HydrophobicContact CD1-CG2 3.89Å; F284-T339 HydrophobicContact CE1-CG2 3.32Å; F284-T339 HydrophobicContact CZ-CG2 3.81Å; D336-T339 HydrophobicContact CB-CG2 4.08Å; D336-T339 WeakPolarHBondContact O-CB 3.44Å; D336-T339 WeakPolarHBondContact O-CG2 3.27Å; D336-T339 PolarHBondContact O-N 3.17Å; D336-T339 PolarHBondContact O-OG1 3.25Å; D336-T339 WeakPolarHBondContact OD1-CG2 3.07Å; T339-H364 CarbonylContact O-C 3.58Å; T339-H364 WeakPolarHBondContact O-CB 3.28Å; T339-R365 HydrophobicContact CG2-CB 4.46Å; T339-R365 HydrophobicContact CG2-CG 3.44Å; T339-R365 VanDerWaalsContact CG2-CG 3.44Å; T339-R368 PolarHBondContact O-NE 3.13Å; T339-R368 PolarHBondContact O-NH1 2.93Å; T339-R368 PolarHBondContact O-NH2 3.3Å | ||
| 340 | R | 78.5 | Confident | 89.3 | Confident | 24 Ų | 24 | 23.2 Ų | 23.2 | 9% | 0.091 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -114.9 | 136.2 | -167.3 | -61.9 | -169.4 | -178.8 | -115.8 | -0.3 | 113.2 | E191 D193 L338 I342 E360 H364 R368 | E191-R340 HydrophobicContact CG-CB 4.28Å; E191-R340 IonicContact OE2-NH1 3.12Å; D193-R340 VanDerWaalsContact CG-NH1 3.33Å; D193-R340 IonicContact OD1-NH1 3.57Å; D193-R340 PolarHBondContact OD1-NH1 2.87Å; D193-R340 IonicContact OD2-CZ 3.62Å; D193-R340 IonicContact OD2-NH1 2.84Å; D193-R340 PolarHBondContact OD2-NH1 3.14Å; L338-R340 PolarHBondContact O-N 2.84Å; R340-I342 WeakPolarHBondContact O-CG1 3.21Å; R340-I342 PolarHBondContact O-N 3.5Å; R340-E360 IonicContact CZ-OE1 2.84Å; R340-E360 IonicContact NH1-OE1 3.98Å; R340-E360 IonicContact NH2-OE1 2.86Å; R340-E360 PolarHBondContact NH2-OE1 2.82Å; R340-H364 HydrophobicContact CG-CB 4.25Å; R340-H364 VanDerWaalsContact CZ-CD2 3.48Å; R340-H364 PolarHBondContact NH1-CE1 2.95Å; R340-H364 VanDerWaalsContact NH1-CE1 3.31Å; R340-H364 PolarHBondContact NH1-NE2 2.82Å; R340-R368 VanDerWaalsContact C-NH1 3.26Å |
| 341 | G | 71.9 | Confident | 89.4 | Confident | 7 Ų | 7 | 17.4 Ų | 17.4 | 7% | 0.072 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 61.6 | -30.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | Q124 E191 D343 R371 | Q124-G341 PolarHBondContact NE2-O 3.25Å; E191-G341 PolarHBondContact OE1-N 2.96Å; G341-D343 PolarHBondContact O-N 3.05Å; G341-R371 PolarHBondContact O-NH1 2.96Å; G341-R371 PolarHBondContact O-NH2 3.44Å |
| 342 | I | 81.6 | Confident | 89.5 | Confident | 3 Ų | 3 | 17.2 Ų | 17.2 | 2% | 0.015 | 10% | 0.1 | C | C | . | . | trans | -48.6 | 119 | 175.9 | -58.6 | -47.3 | 0 | 0 | 0 | 114.8 | E120 L121 F321 L338 R340 I344 R368 R371 | E120-I342 HydrophobicContact CB-CD1 3.74Å; L121-I342 HydrophobicContact CB-CD1 4.45Å; F321-I342 HydrophobicContact CE1-CD1 4.44Å; F321-I342 HydrophobicContact CE2-CB 4.48Å; F321-I342 HydrophobicContact CE2-CD1 4.11Å; F321-I342 HydrophobicContact CE2-CG1 4.34Å; F321-I342 HydrophobicContact CE2-CG2 3.4Å; F321-I342 HydrophobicContact CZ-CD1 3.77Å; F321-I342 HydrophobicContact CZ-CG1 4.44Å; F321-I342 HydrophobicContact CZ-CG2 3.73Å; L338-I342 HydrophobicContact CD2-CG1 4.31Å; R340-I342 WeakPolarHBondContact O-CG1 3.21Å; R340-I342 PolarHBondContact O-N 3.5Å; I342-I344 HydrophobicContact CG2-CD1 4.02Å; I342-I344 HydrophobicContact CG2-CG1 3.98Å; I342-R368 VanDerWaalsContact CA-NH1 3.33Å; I342-R368 PolarHBondContact O-NH1 3.39Å; I342-R371 VanDerWaalsContact C-CZ 3.45Å; I342-R371 PolarHBondContact O-NE 3.29Å; I342-R371 PolarHBondContact O-NH2 3.38Å | ||
| 343 | D | 83.9 | Confident | 89.5 | Confident | 42 Ų | 42 | 17.7 Ų | 17.7 | 23% | 0.225 | 10% | 0.101 | C | C | . | . | trans | -111.6 | 115.2 | -178.1 | -153 | -32.5 | 0 | 0 | 0 | 111.4 | G341 R371 | G341-D343 PolarHBondContact O-N 3.05Å; D343-R371 WeakPolarHBondContact OD1-CD 3.38Å; D343-R371 IonicContact OD1-NH1 2.83Å; D343-R371 IonicContact OD2-CZ 2.89Å; D343-R371 IonicContact OD2-NH1 3.12Å; D343-R371 PolarHBondContact OD2-NH1 3.12Å | ||
| 344 | I | 89.1 | Confident | 89.5 | Confident | 4 Ų | 4 | 18.2 Ų | 18.2 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | trans | -134.5 | 93.8 | 175.3 | -53.4 | 177.9 | 0 | 0 | 0 | 106.5 | I282 F321 F324 R325 I342 T346 V347 | I282-I344 HydrophobicContact CD1-CD1 4.47Å; F321-I344 HydrophobicContact CE2-CD1 4.06Å; F324-I344 HydrophobicContact CD1-CD1 3.38Å; F324-I344 HydrophobicContact CE1-CD1 3.43Å; F324-I344 VanDerWaalsContact CE1-CD1 3.43Å; R325-I344 HydrophobicContact CG-CG1 4.49Å; I342-I344 HydrophobicContact CG2-CD1 4.02Å; I342-I344 HydrophobicContact CG2-CG1 3.98Å; I344-T346 WeakPolarHBondContact CG2-OG1 3.36Å; I344-T346 PolarHBondContact O-N 3.37Å; I344-V347 HydrophobicContact CB-CB 4.48Å; I344-V347 HydrophobicContact CB-CG2 3.75Å; I344-V347 HydrophobicContact CG2-CG2 3.69Å; I344-V347 WeakPolarHBondContact O-CB 3.14Å; I344-V347 PolarHBondContact O-N 3.36Å | ||
| 345 | P | 84.5 | Confident | 89.6 | Confident | 81 Ų | 81 | 18.7 Ų | 18.7 | 53% | 0.526 | 11% | 0.107 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -23.5 | -170 | -28.6 | 35.8 | 0 | 0 | 0 | 115.3 | ||
| 346 | T | 91.1 | Very high | 89.6 | Confident | 60 Ų | 60 | 18 Ų | 18 | 37% | 0.368 | 10% | 0.103 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.8 | -11.9 | 178.4 | 45.2 | 0 | 0 | 0 | 0 | 113.4 | S279 Q280 I344 N348 | S279-T346 WeakPolarHBondContact CB-O 3.45Å; S279-T346 PolarHBondContact OG-O 3.27Å; Q280-T346 PolarHBondContact N-O 3.39Å; Q280-T346 VanDerWaalsContact OE1-CB 3.25Å; Q280-T346 PolarHBondContact OE1-OG1 2.95Å; I344-T346 WeakPolarHBondContact CG2-OG1 3.36Å; I344-T346 PolarHBondContact O-N 3.37Å; T346-N348 PolarHBondContact O-N 3.47Å; T346-N348 VanDerWaalsContact O-N 3.16Å |
| 347 | V | 95.4 | Very high | 89.8 | Confident | 6 Ų | 6 | 22.8 Ų | 22.8 | 4% | 0.036 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 107.5 | 174.6 | 173.6 | 0 | 0 | 0 | 0 | 109.1 | Q280 I282 F324 I344 V350 | Q280-V347 HydrophobicContact CB-CG2 4.03Å; Q280-V347 WeakPolarHBondContact O-CA 3.36Å; I282-V347 HydrophobicContact CD1-CG1 4.34Å; I282-V347 HydrophobicContact CD1-CG2 4.08Å; I282-V347 HydrophobicContact CG1-CG1 4.1Å; I282-V347 HydrophobicContact CG1-CG2 4Å; F324-V347 HydrophobicContact CE1-CG2 4.02Å; F324-V347 HydrophobicContact CZ-CG2 4.04Å; I344-V347 HydrophobicContact CB-CB 4.48Å; I344-V347 HydrophobicContact CB-CG2 3.75Å; I344-V347 HydrophobicContact CG2-CG2 3.69Å; I344-V347 WeakPolarHBondContact O-CB 3.14Å; I344-V347 PolarHBondContact O-N 3.36Å; V347-V350 HydrophobicContact CG1-CG2 4.39Å |
| 348 | N | 96.1 | Very high | 90.3 | Very high | 13 Ų | 13 | 28.8 Ų | 28.8 | 7% | 0.07 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.9 | -15 | 177.8 | 65.7 | -25.4 | 0 | 0 | 0 | 113.9 | Q277 S279 Q280 T346 G376 I377 Y413 | Q277-N348 PolarHBondContact O-ND2 3.41Å; S279-N348 PolarHBondContact N-OD1 2.94Å; Q280-N348 PolarHBondContact O-N 3.24Å; Q280-N348 PolarHBondContact O-OD1 2.89Å; T346-N348 PolarHBondContact O-N 3.47Å; T346-N348 VanDerWaalsContact O-N 3.16Å; N348-G376 WeakPolarHBondContact O-CA 3.27Å; N348-I377 PolarHBondContact O-N 3.07Å; N348-Y413 WeakPolarHBondContact CB-O 3.36Å; N348-Y413 WeakPolarHBondContact ND2-CD2 3.41Å; N348-Y413 PolarHBondContact ND2-O 3.47Å |
| 349 | V | 98.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 122.6 | 179.9 | -176 | 0 | 0 | 0 | 0 | 110.5 | L276 I278 S281 I282 I351 I377 I379 Y413 | L276-V349 HydrophobicContact CD1-CG1 4.28Å; I278-V349 HydrophobicContact CG1-CB 4.33Å; I278-V349 HydrophobicContact CG1-CG2 3.92Å; S281-V349 WeakPolarHBondContact CA-O 3.39Å; S281-V349 WeakPolarHBondContact CB-O 3.46Å; I282-V349 PolarHBondContact N-O 2.92Å; V349-I351 HydrophobicContact CG1-CD1 4.25Å; V349-I351 HydrophobicContact CG1-CG1 3.84Å; V349-I377 HydrophobicContact CB-CG1 4.27Å; V349-I377 HydrophobicContact CG1-CD1 4.28Å; V349-I377 HydrophobicContact CG1-CG1 4.15Å; V349-I377 HydrophobicContact CG2-CD1 3.88Å; V349-I377 HydrophobicContact CG2-CG1 3.75Å; V349-I379 HydrophobicContact CG1-CD1 4.42Å; V349-Y413 HydrophobicContact CG2-CD2 3.74Å; V349-Y413 HydrophobicContact CG2-CE2 4.11Å |
| 350 | V | 97.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.5 Ų | 32.5 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.8 | 133.9 | 166.6 | 174.3 | 0 | 0 | 0 | 0 | 108.6 | I282 F284 V347 R368 I377 A378 I379 | I282-V350 WeakPolarHBondContact O-CA 3.42Å; F284-V350 HydrophobicContact CD2-CG1 3.92Å; F284-V350 HydrophobicContact CE2-CG1 3.8Å; V347-V350 HydrophobicContact CG1-CG2 4.39Å; V350-R368 HydrophobicContact CG2-CB 3.7Å; V350-I377 PolarHBondContact N-O 3.2Å; V350-A378 HydrophobicContact CB-CB 4.5Å; V350-A378 CarbonylContact O-C 3.58Å; V350-A378 WeakPolarHBondContact O-CA 3.31Å; V350-I379 PolarHBondContact O-N 3.42Å |
| 351 | I | 98.6 | Very high | 92.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 117.1 | 176.1 | -52.8 | 179.4 | 0 | 0 | 0 | 109.2 | L269 L272 F273 I282 I283 F284 V349 F353 I379 | L269-I351 HydrophobicContact CD1-CD1 3.61Å; L269-I351 HydrophobicContact CD1-CG2 4.28Å; L272-I351 HydrophobicContact CD1-CD1 4.29Å; F273-I351 HydrophobicContact CE1-CD1 4.48Å; I282-I351 PolarHBondContact O-N 2.92Å; I283-I351 CarbonylContact C-O 3.59Å; I283-I351 VanDerWaalsContact CA-O 3.26Å; I283-I351 WeakPolarHBondContact CA-O 3.32Å; I283-I351 HydrophobicContact CG1-CB 4.18Å; I283-I351 HydrophobicContact CG1-CD1 4.35Å; I283-I351 HydrophobicContact CG2-CB 4.32Å; I283-I351 HydrophobicContact CG2-CG2 4.47Å; F284-I351 PolarHBondContact N-O 2.66Å; V349-I351 HydrophobicContact CG1-CD1 4.25Å; V349-I351 HydrophobicContact CG1-CG1 3.84Å; I351-F353 PolarHBondContact O-N 3.35Å; I351-I379 CarbonylContact C-O 3.49Å; I351-I379 VanDerWaalsContact CA-O 3.3Å; I351-I379 WeakPolarHBondContact CA-O 3.16Å |
| 352 | N | 98.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.1 | 90.3 | 166.9 | -69.1 | -43.2 | 0 | 0 | 0 | 108.1 | D354 R365 I379 N380 L381 | N352-D354 VanDerWaalsContact C-N 3.27Å; N352-R365 WeakPolarHBondContact OD1-CD 3.29Å; N352-I379 PolarHBondContact N-O 3.47Å; N352-N380 WeakPolarHBondContact CB-OD1 3.25Å; N352-N380 PolarHBondContact ND2-OD1 3.08Å; N352-L381 PolarHBondContact O-N 2.97Å |
| 353 | F | 98.7 | Very high | 94.1 | Very high | 9 Ų | 9 | 32.5 Ų | 32.5 | 4% | 0.039 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -64.9 | -37.5 | 176.3 | -170.8 | -91.7 | 0 | 0 | 0 | 111.1 | K265 V266 L269 I283 F284 L294 I351 L381 | K265-F353 HydrophobicContact CB-CD2 4.49Å; K265-F353 HydrophobicContact CB-CE1 4.05Å; K265-F353 HydrophobicContact CB-CE2 3.67Å; K265-F353 HydrophobicContact CB-CZ 3.41Å; K265-F353 VanDerWaalsContact CB-CZ 3.41Å; K265-F353 HydrophobicContact CD-CD1 4.23Å; K265-F353 HydrophobicContact CD-CE1 3.91Å; K265-F353 HydrophobicContact CD-CZ 4.14Å; K265-F353 WeakPolarHBondContact CD-O 3.31Å; K265-F353 WeakPolarHBondContact CE-O 3.41Å; K265-F353 HydrophobicContact CG-CZ 4.41Å; K265-F353 PolarHBondContact NZ-O 3.4Å; K265-F353 VanDerWaalsContact NZ-O 3.09Å; V266-F353 HydrophobicContact CG2-CE2 4.42Å; V266-F353 HydrophobicContact CG2-CZ 3.95Å; L269-F353 HydrophobicContact CB-CE2 4.33Å; L269-F353 HydrophobicContact CD2-CD2 4.15Å; L269-F353 HydrophobicContact CD2-CE2 4.13Å; I283-F353 HydrophobicContact CG2-CB 3.81Å; F284-F353 WeakPolarHBondContact O-CB 3.39Å; F284-F353 PolarHBondContact O-N 3.45Å; L294-F353 HydrophobicContact CD1-CD2 4.22Å; L294-F353 HydrophobicContact CD1-CE1 4.36Å; L294-F353 HydrophobicContact CD1-CE2 3.7Å; L294-F353 HydrophobicContact CD1-CZ 3.77Å; L294-F353 HydrophobicContact CD2-CB 4.12Å; L294-F353 HydrophobicContact CD2-CD1 3.93Å; L294-F353 HydrophobicContact CD2-CD2 3.7Å; L294-F353 HydrophobicContact CD2-CE1 4.23Å; L294-F353 HydrophobicContact CD2-CE2 4.02Å; L294-F353 HydrophobicContact CD2-CG 3.64Å; L294-F353 HydrophobicContact CD2-CZ 4.27Å; I351-F353 PolarHBondContact O-N 3.35Å; F353-L381 HydrophobicContact CD2-CD1 3.67Å; F353-L381 HydrophobicContact CE2-CD1 4.04Å; F353-L381 HydrophobicContact CG-CD1 4.33Å |
| 354 | D | 98.3 | Very high | 94.5 | Very high | 12 Ų | 12 | 30.5 Ų | 30.5 | 6% | 0.064 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -112.5 | 120.2 | 164.8 | -64.9 | -29.7 | 0 | 0 | 0 | 109 | K265 F284 S286 R290 N352 R365 | K265-D354 IonicContact NZ-OD1 3.22Å; K265-D354 PolarHBondContact NZ-OD1 2.6Å; K265-D354 VanDerWaalsContact NZ-OD1 3.11Å; F284-D354 PolarHBondContact O-N 2.88Å; S286-D354 WeakPolarHBondContact CB-OD2 3.48Å; S286-D354 PolarHBondContact N-OD2 3.45Å; S286-D354 PolarHBondContact OG-OD2 2.84Å; R290-D354 IonicContact CZ-OD1 2.89Å; R290-D354 IonicContact CZ-OD2 2.79Å; R290-D354 IonicContact NE-OD1 3.87Å; R290-D354 IonicContact NE-OD2 2.7Å; R290-D354 PolarHBondContact NE-OD2 3.46Å; R290-D354 IonicContact NH2-OD1 3.26Å; R290-D354 PolarHBondContact NH2-OD1 3.24Å; R290-D354 IonicContact NH2-OD2 3.25Å; N352-D354 VanDerWaalsContact C-N 3.27Å; D354-R365 PolarHBondContact O-NH1 3.2Å |
| 355 | F | 98.1 | Very high | 94.7 | Very high | 10 Ų | 10 | 30.5 Ų | 30.5 | 4% | 0.044 | 15% | 0.151 | C | C | . | . | trans | -62.8 | 132.2 | 176.5 | -162.7 | -97.2 | 0 | 0 | 0 | 110.5 | Y362 N380 V382 D386 L390 V393 I401 | F355-Y362 AromaticContact CE2-CD2 3.88Å; F355-Y362 HydrophobicContact CE2-CD2 3.88Å; F355-Y362 AromaticContact CE2-CE2 3.68Å; F355-Y362 HydrophobicContact CE2-CE2 3.68Å; F355-Y362 AromaticContact CZ-CD2 3.95Å; F355-Y362 HydrophobicContact CZ-CD2 3.95Å; F355-Y362 HydrophobicContact CZ-CE2 4.05Å; F355-N380 HydrophobicContact CD2-CB 3.89Å; F355-N380 HydrophobicContact CE2-CB 4Å; F355-V382 HydrophobicContact CD2-CG2 3.88Å; F355-V382 HydrophobicContact CE2-CG2 4.36Å; F355-V382 HydrophobicContact CG-CG2 4.34Å; F355-D386 HydrophobicContact CB-CB 4.02Å; F355-D386 HydrophobicContact CD1-CB 4.41Å; F355-D386 HydrophobicContact CG-CB 4.45Å; F355-L390 HydrophobicContact CE1-CB 4.17Å; F355-L390 HydrophobicContact CE1-CD1 4.46Å; F355-L390 HydrophobicContact CE2-CD1 3.9Å; F355-L390 HydrophobicContact CZ-CB 4.22Å; F355-L390 HydrophobicContact CZ-CD1 3.69Å; F355-V393 HydrophobicContact CE1-CB 4.36Å; F355-V393 HydrophobicContact CE1-CG2 3.74Å; F355-V393 HydrophobicContact CZ-CB 4.08Å; F355-V393 HydrophobicContact CZ-CG1 4.28Å; F355-V393 HydrophobicContact CZ-CG2 3.84Å; F355-I401 HydrophobicContact CE2-CD1 4.44Å; F355-I401 HydrophobicContact CZ-CD1 4.39Å | ||
| 356 | P | 96.5 | Very high | 95.2 | Very high | 5 Ų | 5 | 26.7 Ų | 26.7 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | trans | -70.1 | 150.6 | -179.4 | 29.7 | -35.1 | 0 | 0 | 0 | 111.5 | T361 Y362 | P356-T361 HydrophobicContact CB-CG2 3.82Å; P356-Y362 HydrophobicContact CG-CD2 3.76Å; P356-Y362 HydrophobicContact CG-CG 4.17Å | ||
| 357 | K | 94 | Very high | 95.1 | Very high | 159 Ų | 159 | 24 Ų | 24 | 69% | 0.691 | 11% | 0.11 | S | C | * | . | S | Bend | trans | -75.7 | -26.1 | 176.7 | -66.8 | -174.7 | 177.7 | -177.3 | 0 | 113.5 | ||
| 358 | Y | 93.1 | Very high | 94.8 | Very high | 161 Ų | 161 | 23.8 Ų | 23.8 | 63% | 0.631 | 11% | 0.108 | S | C | * | . | S | Bend | trans | -119.7 | 140 | -172.9 | -53.2 | -66.6 | 0 | 0 | 0 | 111 | E360 T361 Y362 | Y358-E360 VanDerWaalsContact C-N 3.33Å; Y358-E360 PolarHBondContact O-N 2.87Å; Y358-T361 PolarHBondContact O-N 3.2Å; Y358-Y362 PolarHBondContact O-N 2.68Å; Y358-Y362 VanDerWaalsContact O-N 3.09Å |
| 359 | S | 93.2 | Very high | 94.4 | Very high | 18 Ų | 18 | 23.2 Ų | 23.2 | 13% | 0.126 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -59.6 | -39 | 177.2 | 58 | 0 | 0 | 0 | 0 | 113.4 | T361 Y362 L363 E396 | S359-T361 PolarHBondContact O-N 3.48Å; S359-Y362 WeakPolarHBondContact O-CB 3.28Å; S359-Y362 PolarHBondContact O-N 3.05Å; S359-L363 WeakPolarHBondContact O-CB 3.44Å; S359-L363 PolarHBondContact O-N 2.99Å; S359-E396 WeakPolarHBondContact CB-OE2 3.41Å; S359-E396 PolarHBondContact OG-OE2 2.75Å |
| 360 | E | 90.4 | Very high | 93.9 | Very high | 68 Ų | 68 | 23.3 Ų | 23.3 | 32% | 0.318 | 11% | 0.107 | S | C | . | . | H | α-helix | trans | -57.4 | -49.8 | 175 | -179.6 | -174.7 | 171.6 | 0 | 0 | 110.9 | T223 R340 Y358 Y362 L363 H364 | T223-E360 HydrophobicContact CG2-CG 4.1Å; R340-E360 IonicContact CZ-OE1 2.84Å; R340-E360 IonicContact NH1-OE1 3.98Å; R340-E360 IonicContact NH2-OE1 2.86Å; R340-E360 PolarHBondContact NH2-OE1 2.82Å; Y358-E360 VanDerWaalsContact C-N 3.33Å; Y358-E360 PolarHBondContact O-N 2.87Å; E360-Y362 VanDerWaalsContact C-N 3.31Å; E360-Y362 PolarHBondContact O-N 2.8Å; E360-L363 WeakPolarHBondContact O-CB 3.21Å; E360-L363 PolarHBondContact O-N 2.84Å; E360-H364 PolarHBondContact O-CD2 3.08Å; E360-H364 PolarHBondContact O-N 2.87Å; E360-H364 VanDerWaalsContact O-N 3.12Å |
| 361 | T | 93 | Very high | 93.4 | Very high | 28 Ų | 28 | 24.2 Ų | 24.2 | 17% | 0.172 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.3 | -42.9 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 111 | D336 P356 Y358 S359 L363 H364 R365 | D336-T361 HydrophobicContact CB-CG2 4.49Å; D336-T361 WeakPolarHBondContact OD1-CG2 3.43Å; P356-T361 HydrophobicContact CB-CG2 3.82Å; Y358-T361 PolarHBondContact O-N 3.2Å; S359-T361 PolarHBondContact O-N 3.48Å; T361-L363 PolarHBondContact O-N 3.29Å; T361-H364 PolarHBondContact O-N 3.36Å; T361-R365 HydrophobicContact CG2-CG 4.47Å; T361-R365 VanDerWaalsContact O-CG 3.31Å; T361-R365 WeakPolarHBondContact O-CG 2.99Å; T361-R365 PolarHBondContact O-N 3.14Å |
| 362 | Y | 95 | Very high | 92.9 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -55.6 | -50.2 | 174.7 | -177.5 | -94.1 | 0 | 0 | 0 | 112.2 | E255 F355 P356 Y358 S359 E360 H364 R365 I366 N380 V393 L397 I401 | E255-Y362 WeakPolarHBondContact OE2-CE1 3.34Å; E255-Y362 PolarHBondContact OE2-OH 2.8Å; F355-Y362 AromaticContact CE2-CD2 3.88Å; F355-Y362 HydrophobicContact CE2-CD2 3.88Å; F355-Y362 AromaticContact CE2-CE2 3.68Å; F355-Y362 HydrophobicContact CE2-CE2 3.68Å; F355-Y362 AromaticContact CZ-CD2 3.95Å; F355-Y362 HydrophobicContact CZ-CD2 3.95Å; F355-Y362 HydrophobicContact CZ-CE2 4.05Å; P356-Y362 HydrophobicContact CG-CD2 3.76Å; P356-Y362 HydrophobicContact CG-CG 4.17Å; Y358-Y362 PolarHBondContact O-N 2.68Å; Y358-Y362 VanDerWaalsContact O-N 3.09Å; S359-Y362 WeakPolarHBondContact O-CB 3.28Å; S359-Y362 PolarHBondContact O-N 3.05Å; E360-Y362 VanDerWaalsContact C-N 3.31Å; E360-Y362 PolarHBondContact O-N 2.8Å; Y362-H364 VanDerWaalsContact C-N 3.31Å; Y362-H364 PolarHBondContact O-N 3.38Å; Y362-R365 WeakPolarHBondContact O-CB 3.43Å; Y362-R365 PolarHBondContact O-N 2.76Å; Y362-I366 HydrophobicContact CD1-CD1 4.25Å; Y362-I366 HydrophobicContact CD1-CG2 4.33Å; Y362-I366 HydrophobicContact CD2-CG2 4.42Å; Y362-I366 HydrophobicContact CE1-CD1 3.69Å; Y362-I366 HydrophobicContact CE1-CG1 4.31Å; Y362-I366 HydrophobicContact CE1-CG2 3.91Å; Y362-I366 HydrophobicContact CE2-CG2 3.97Å; Y362-I366 PolarHBondContact O-N 2.91Å; Y362-N380 VanDerWaalsContact CE2-OD1 3.3Å; Y362-N380 WeakPolarHBondContact CE2-OD1 3.48Å; Y362-N380 PolarHBondContact OH-ND2 3.14Å; Y362-V393 HydrophobicContact CD1-CG1 3.41Å; Y362-V393 VanDerWaalsContact CD1-CG1 3.41Å; Y362-V393 HydrophobicContact CD2-CG1 4.04Å; Y362-V393 HydrophobicContact CE1-CG1 3.72Å; Y362-V393 HydrophobicContact CE2-CG1 4.32Å; Y362-V393 HydrophobicContact CG-CG1 3.57Å; Y362-V393 HydrophobicContact CG-CG2 4.33Å; Y362-L397 HydrophobicContact CD1-CD1 3.51Å; Y362-L397 HydrophobicContact CE1-CD1 4.11Å; Y362-I401 HydrophobicContact CE1-CD1 4.19Å; Y362-I401 HydrophobicContact CE2-CD1 4.04Å; Y362-I401 VanDerWaalsContact OH-CD1 3.27Å; Y362-I401 WeakPolarHBondContact OH-CD1 3.15Å |
| 363 | L | 92.5 | Very high | 92.5 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.037 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.8 | -42.2 | -178.9 | -179.3 | 66.4 | 0 | 0 | 0 | 112.3 | A222 T223 L248 T249 S359 E360 T361 G367 L397 | A222-L363 HydrophobicContact CB-CD2 4.48Å; T223-L363 HydrophobicContact CG2-CD2 4.25Å; L248-L363 HydrophobicContact CB-CD1 3.96Å; L248-L363 HydrophobicContact CB-CD2 3.95Å; L248-L363 HydrophobicContact CD1-CD2 4.49Å; L248-L363 HydrophobicContact CD2-CD2 4.46Å; L248-L363 WeakPolarHBondContact O-CD1 3.47Å; T249-L363 HydrophobicContact CG2-CD1 4.22Å; S359-L363 WeakPolarHBondContact O-CB 3.44Å; S359-L363 PolarHBondContact O-N 2.99Å; E360-L363 WeakPolarHBondContact O-CB 3.21Å; E360-L363 PolarHBondContact O-N 2.84Å; T361-L363 PolarHBondContact O-N 3.29Å; L363-G367 PolarHBondContact O-N 3.26Å; L363-L397 HydrophobicContact CB-CD1 4.34Å; L363-L397 HydrophobicContact CB-CD2 4.46Å |
| 364 | H | 91.8 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -70.5 | -40.6 | 178.1 | -72.4 | -70.5 | 0 | 0 | 0 | 112.5 | N87 E191 D193 T339 R340 E360 T361 Y362 G367 R368 | N87-H364 PolarHBondContact ND2-ND1 3.1Å; E191-H364 IonicContact OE2-CE1 3.9Å; E191-H364 PolarHBondContact OE2-CE1 3.16Å; E191-H364 IonicContact OE2-ND1 3.94Å; D193-H364 IonicContact OD2-NE2 2.73Å; T339-H364 CarbonylContact O-C 3.58Å; T339-H364 WeakPolarHBondContact O-CB 3.28Å; R340-H364 HydrophobicContact CG-CB 4.25Å; R340-H364 VanDerWaalsContact CZ-CD2 3.48Å; R340-H364 PolarHBondContact NH1-CE1 2.95Å; R340-H364 VanDerWaalsContact NH1-CE1 3.31Å; R340-H364 PolarHBondContact NH1-NE2 2.82Å; E360-H364 PolarHBondContact O-CD2 3.08Å; E360-H364 PolarHBondContact O-N 2.87Å; E360-H364 VanDerWaalsContact O-N 3.12Å; T361-H364 PolarHBondContact O-N 3.36Å; Y362-H364 VanDerWaalsContact C-N 3.31Å; Y362-H364 PolarHBondContact O-N 3.38Å; H364-G367 PolarHBondContact O-N 3Å; H364-R368 PolarHBondContact O-NE 3.44Å; H364-R368 PolarHBondContact O-NH2 2.89Å |
| 365 | R | 94.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.015 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -59.2 | -54.8 | 176.3 | -74.3 | -176.9 | -173.3 | -168.3 | 0.4 | 112.1 | F284 D336 T339 N352 D354 T361 Y362 G367 R368 | F284-R365 HydrophobicContact CB-CG 4.37Å; F284-R365 HydrophobicContact CD1-CG 3.96Å; F284-R365 HydrophobicContact CD2-CB 3.75Å; F284-R365 HydrophobicContact CD2-CG 3.64Å; F284-R365 HydrophobicContact CE1-CG 4.11Å; F284-R365 HydrophobicContact CE2-CB 3.67Å; F284-R365 HydrophobicContact CE2-CG 3.79Å; F284-R365 HydrophobicContact CG-CB 4.35Å; F284-R365 HydrophobicContact CG-CG 3.72Å; F284-R365 HydrophobicContact CZ-CB 4.23Å; F284-R365 HydrophobicContact CZ-CG 4.02Å; D336-R365 IonicContact OD1-CZ 2.94Å; D336-R365 IonicContact OD1-NE 2.73Å; D336-R365 PolarHBondContact OD1-NE 2.76Å; D336-R365 IonicContact OD1-NH2 3.11Å; D336-R365 PolarHBondContact OD1-NH2 3.48Å; D336-R365 IonicContact OD2-CZ 3.39Å; D336-R365 IonicContact OD2-NH2 3.39Å; D336-R365 PolarHBondContact OD2-NH2 3.08Å; T339-R365 HydrophobicContact CG2-CB 4.46Å; T339-R365 HydrophobicContact CG2-CG 3.44Å; T339-R365 VanDerWaalsContact CG2-CG 3.44Å; N352-R365 WeakPolarHBondContact OD1-CD 3.29Å; D354-R365 PolarHBondContact O-NH1 3.2Å; T361-R365 HydrophobicContact CG2-CG 4.47Å; T361-R365 VanDerWaalsContact O-CG 3.31Å; T361-R365 WeakPolarHBondContact O-CG 2.99Å; T361-R365 PolarHBondContact O-N 3.14Å; Y362-R365 WeakPolarHBondContact O-CB 3.43Å; Y362-R365 PolarHBondContact O-N 2.76Å; R365-G367 PolarHBondContact O-N 3.08Å; R365-R368 WeakPolarHBondContact O-CB 3.46Å; R365-R368 WeakPolarHBondContact O-CG 3.25Å; R365-R368 PolarHBondContact O-N 3.32Å |
| 366 | I | 94.1 | Very high | 92 | Very high | 1 Ų | 1 | 26.5 Ų | 26.5 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.6 | -33.2 | -176.2 | 68.2 | 165.8 | 0 | 0 | 0 | 111.3 | T249 I253 E255 Y362 R368 S369 A378 | T249-I366 HydrophobicContact CG2-CD1 4.09Å; I253-I366 HydrophobicContact CD1-CB 4.34Å; I253-I366 HydrophobicContact CD1-CD1 4.46Å; I253-I366 HydrophobicContact CD1-CG1 4.24Å; I253-I366 WeakPolarHBondContact CD1-O 3.5Å; I253-I366 HydrophobicContact CG2-CB 4.45Å; I253-I366 HydrophobicContact CG2-CD1 4.5Å; E255-I366 HydrophobicContact CG-CD1 4.35Å; Y362-I366 HydrophobicContact CD1-CD1 4.25Å; Y362-I366 HydrophobicContact CD1-CG2 4.33Å; Y362-I366 HydrophobicContact CD2-CG2 4.42Å; Y362-I366 HydrophobicContact CE1-CD1 3.69Å; Y362-I366 HydrophobicContact CE1-CG1 4.31Å; Y362-I366 HydrophobicContact CE1-CG2 3.91Å; Y362-I366 HydrophobicContact CE2-CG2 3.97Å; Y362-I366 PolarHBondContact O-N 2.91Å; I366-R368 PolarHBondContact O-N 2.74Å; I366-S369 PolarHBondContact O-N 2.82Å; I366-S369 VanDerWaalsContact O-N 3.1Å; I366-S369 PolarHBondContact O-OG 3.31Å; I366-A378 HydrophobicContact CB-CB 3.88Å; I366-A378 HydrophobicContact CG2-CB 3.55Å |
| 367 | G | 90.1 | Very high | 92 | Very high | 2 Ų | 2 | 26.3 Ų | 26.3 | 2% | 0.021 | 12% | 0.119 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | 13.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | L363 H364 R365 R371 | L363-G367 PolarHBondContact O-N 3.26Å; H364-G367 PolarHBondContact O-N 3Å; R365-G367 PolarHBondContact O-N 3.08Å; G367-R371 PolarHBondContact O-NE 3.33Å |
| 368 | R | 89.6 | Confident | 92.2 | Very high | 3 Ų | 3 | 18.7 Ų | 18.7 | 1% | 0.011 | 9% | 0.086 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.1 | -25.4 | 165.9 | -64.7 | -45.5 | 84.5 | 172.4 | 4.2 | 112.8 | I282 F284 T339 R340 I342 V350 H364 R365 I366 R371 | I282-R368 HydrophobicContact CD1-CB 4.03Å; I282-R368 HydrophobicContact CD1-CG 4.01Å; F284-R368 HydrophobicContact CE2-CG 4.12Å; F284-R368 HydrophobicContact CZ-CG 3.8Å; T339-R368 PolarHBondContact O-NE 3.13Å; T339-R368 PolarHBondContact O-NH1 2.93Å; T339-R368 PolarHBondContact O-NH2 3.3Å; R340-R368 VanDerWaalsContact C-NH1 3.26Å; I342-R368 VanDerWaalsContact CA-NH1 3.33Å; I342-R368 PolarHBondContact O-NH1 3.39Å; V350-R368 HydrophobicContact CG2-CB 3.7Å; H364-R368 PolarHBondContact O-NE 3.44Å; H364-R368 PolarHBondContact O-NH2 2.89Å; R365-R368 WeakPolarHBondContact O-CB 3.46Å; R365-R368 WeakPolarHBondContact O-CG 3.25Å; R365-R368 PolarHBondContact O-N 3.32Å; I366-R368 PolarHBondContact O-N 2.74Å; R368-R371 VanDerWaalsContact NH2-NH2 3.11Å |
| 369 | S | 87.5 | Confident | 92.5 | Very high | 0 Ų | 0 | 11 Ų | 11 | 0% | 0 | 6% | 0.056 | C | C | . | . | S | Bend | trans | -101 | 172.4 | 168.5 | 61.5 | 0 | 0 | 0 | 0 | 110.5 | I253 I366 R371 I377 | I253-S369 WeakPolarHBondContact CD1-O 3.29Å; I366-S369 PolarHBondContact O-N 2.82Å; I366-S369 VanDerWaalsContact O-N 3.1Å; I366-S369 PolarHBondContact O-OG 3.31Å; S369-R371 PolarHBondContact O-N 2.89Å; S369-I377 PolarHBondContact OG-O 3.29Å |
| 370 | G | 85.9 | Confident | 92.8 | Very high | 3 Ų | 3 | 10.2 Ų | 10.2 | 3% | 0.031 | 5% | 0.05 | C | C | . | . | S | Bend | trans | 64.2 | 23.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | H374 | G370-H374 CarbonylContact C-O 3.6Å; G370-H374 VanDerWaalsContact C-O 3.3Å; G370-H374 WeakPolarHBondContact CA-O 3.46Å |
| 371 | R | 87.3 | Confident | 93.2 | Very high | 19 Ų | 19 | 7 Ų | 7 | 7% | 0.072 | 3% | 0.034 | C | C | . | . | G | 310 helix | trans | -69 | 150.1 | -177.3 | -73.2 | -162.3 | 158.6 | -135.6 | -0.1 | 112.4 | G341 I342 D343 G367 R368 S369 G373 H374 | G341-R371 PolarHBondContact O-NH1 2.96Å; G341-R371 PolarHBondContact O-NH2 3.44Å; I342-R371 VanDerWaalsContact C-CZ 3.45Å; I342-R371 PolarHBondContact O-NE 3.29Å; I342-R371 PolarHBondContact O-NH2 3.38Å; D343-R371 WeakPolarHBondContact OD1-CD 3.38Å; D343-R371 IonicContact OD1-NH1 2.83Å; D343-R371 IonicContact OD2-CZ 2.89Å; D343-R371 IonicContact OD2-NH1 3.12Å; D343-R371 PolarHBondContact OD2-NH1 3.12Å; G367-R371 PolarHBondContact O-NE 3.33Å; R368-R371 VanDerWaalsContact NH2-NH2 3.11Å; S369-R371 PolarHBondContact O-N 2.89Å; R371-G373 PolarHBondContact O-N 3.48Å; R371-H374 WeakPolarHBondContact O-CB 3.42Å; R371-H374 PolarHBondContact O-CD2 2.96Å; R371-H374 PolarHBondContact O-N 2.93Å |
| 372 | F | 88.6 | Confident | 93.4 | Very high | 51 Ų | 51 | 5.7 Ų | 5.7 | 22% | 0.224 | 3% | 0.027 | C | C | . | . | G | 310 helix | trans | 48.3 | 41 | -178.5 | -149.4 | -107.3 | 0 | 0 | 0 | 113.4 | V35 G88 H374 | V35-F372 HydrophobicContact CG1-CD2 4.27Å; V35-F372 WeakPolarHBondContact CG2-O 3.14Å; G88-F372 VanDerWaalsContact O-CA 3.3Å; G88-F372 WeakPolarHBondContact O-CA 3.38Å; G88-F372 PolarHBondContact O-N 3.44Å; F372-H374 VanDerWaalsContact C-N 3.26Å; F372-H374 PolarHBondContact O-N 3.31Å |
| 373 | G | 90.1 | Very high | 93.6 | Very high | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.032 | C | C | . | . | G | 310 helix | trans | 79.2 | -1.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | K31 T32 R371 | K31-G373 CarbonylContact C-O 3.56Å; K31-G373 VanDerWaalsContact CA-O 3.32Å; K31-G373 WeakPolarHBondContact CA-O 3.35Å; T32-G373 WeakPolarHBondContact CG2-O 3.49Å; T32-G373 PolarHBondContact N-O 3.48Å; T32-G373 WeakPolarHBondContact OG1-CA 3.46Å; R371-G373 PolarHBondContact O-N 3.48Å |
| 374 | H | 93.6 | Very high | 93.8 | Very high | 18 Ų | 18 | 13.2 Ų | 13.2 | 8% | 0.083 | 6% | 0.058 | C | C | . | . | trans | -65.5 | 165.1 | 173.2 | -65.3 | -52.2 | 0 | 0 | 0 | 111.7 | D27 R29 G370 R371 F372 | D27-H374 IonicContact OD1-CE1 3.91Å; D27-H374 IonicContact OD2-CE1 3.37Å; D27-H374 PolarHBondContact OD2-CE1 2.93Å; D27-H374 IonicContact OD2-NE2 2.86Å; D27-H374 PolarHBondContact OD2-NE2 3.13Å; R29-H374 VanDerWaalsContact CZ-ND1 3.3Å; R29-H374 PolarHBondContact NE-CE1 3.42Å; R29-H374 VanDerWaalsContact NE-CE1 3.28Å; R29-H374 PolarHBondContact NE-ND1 3.03Å; R29-H374 PolarHBondContact NH2-CD2 2.6Å; R29-H374 VanDerWaalsContact NH2-CD2 3.26Å; R29-H374 PolarHBondContact NH2-CE1 3.2Å; R29-H374 PolarHBondContact NH2-NE2 3.3Å; G370-H374 CarbonylContact C-O 3.6Å; G370-H374 VanDerWaalsContact C-O 3.3Å; G370-H374 WeakPolarHBondContact CA-O 3.46Å; R371-H374 WeakPolarHBondContact O-CB 3.42Å; R371-H374 PolarHBondContact O-CD2 2.96Å; R371-H374 PolarHBondContact O-N 2.93Å; F372-H374 VanDerWaalsContact C-N 3.26Å; F372-H374 PolarHBondContact O-N 3.31Å | ||
| 375 | L | 95.3 | Very high | 94 | Very high | 10 Ų | 10 | 16.7 Ų | 16.7 | 5% | 0.052 | 9% | 0.086 | C | C | . | . | trans | -99 | 139.9 | 179.7 | -44.3 | 175.4 | 0 | 0 | 0 | 110.5 | I30 T32 G252 R411 L412 Q418 L431 | I30-L375 HydrophobicContact CG2-CD1 3.86Å; I30-L375 HydrophobicContact CG2-CG 4.3Å; T32-L375 HydrophobicContact CG2-CD2 3.75Å; G252-L375 CarbonylContact O-C 3.59Å; G252-L375 VanDerWaalsContact O-CA 3.23Å; G252-L375 WeakPolarHBondContact O-CA 3.25Å; L375-R411 WeakPolarHBondContact CD1-O 3.47Å; L375-L412 CarbonylContact C-O 3.34Å; L375-L412 VanDerWaalsContact CB-O 3.27Å; L375-L412 WeakPolarHBondContact CB-O 3.37Å; L375-Q418 HydrophobicContact CD1-CG 4.29Å; L375-Q418 PolarHBondContact O-NE2 2.81Å; L375-L431 HydrophobicContact CD1-CB 4.26Å; L375-L431 HydrophobicContact CD1-CD1 3.83Å; L375-L431 HydrophobicContact CD1-CD2 3.89Å; L375-L431 HydrophobicContact CD1-CG 4.2Å | ||
| 376 | G | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 172.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G252 I253 T254 N348 L412 | G252-G376 PolarHBondContact O-N 3.24Å; I253-G376 WeakPolarHBondContact CA-O 3.37Å; T254-G376 PolarHBondContact N-O 3.29Å; N348-G376 WeakPolarHBondContact O-CA 3.27Å; G376-L412 PolarHBondContact N-O 2.92Å |
| 377 | I | 97.2 | Very high | 94.2 | Very high | 0 Ų | 0 | 21.6 Ų | 21.6 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 147.1 | 176 | 55.2 | 173.3 | 0 | 0 | 0 | 111.1 | T254 Y256 L276 N348 V349 V350 S369 I379 I408 L412 Y413 | T254-I377 WeakPolarHBondContact O-CA 3.29Å; Y256-I377 HydrophobicContact CE2-CG2 4.16Å; L276-I377 HydrophobicContact CD1-CD1 4.21Å; L276-I377 HydrophobicContact CD2-CD1 4.13Å; N348-I377 PolarHBondContact O-N 3.07Å; V349-I377 HydrophobicContact CB-CG1 4.27Å; V349-I377 HydrophobicContact CG1-CD1 4.28Å; V349-I377 HydrophobicContact CG1-CG1 4.15Å; V349-I377 HydrophobicContact CG2-CD1 3.88Å; V349-I377 HydrophobicContact CG2-CG1 3.75Å; V350-I377 PolarHBondContact N-O 3.2Å; S369-I377 PolarHBondContact OG-O 3.29Å; I377-I379 HydrophobicContact CD1-CD1 3.98Å; I377-I379 HydrophobicContact CD1-CG1 4.46Å; I377-I408 HydrophobicContact CD1-CD1 4.06Å; I377-I408 HydrophobicContact CG2-CG2 4.3Å; I377-L412 HydrophobicContact CG2-CB 4.31Å; I377-Y413 HydrophobicContact CD1-CD1 4.04Å; I377-Y413 HydrophobicContact CD1-CD2 3.93Å; I377-Y413 HydrophobicContact CD1-CE1 4.34Å; I377-Y413 HydrophobicContact CD1-CE2 4.23Å; I377-Y413 HydrophobicContact CD1-CG 3.85Å; I377-Y413 HydrophobicContact CG1-CD1 4.45Å; I377-Y413 HydrophobicContact CG1-CD2 4.13Å; I377-Y413 HydrophobicContact CG1-CG 3.91Å; I377-Y413 HydrophobicContact CG2-CD1 4.27Å; I377-Y413 HydrophobicContact CG2-CG 4.28Å |
| 378 | A | 97.9 | Very high | 94.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 123.3 | 167.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | I253 T254 Y256 V350 I366 | I253-A378 HydrophobicContact CG2-CB 3.84Å; T254-A378 PolarHBondContact O-N 3.14Å; Y256-A378 PolarHBondContact N-O 2.89Å; V350-A378 HydrophobicContact CB-CB 4.5Å; V350-A378 CarbonylContact O-C 3.58Å; V350-A378 WeakPolarHBondContact O-CA 3.31Å; I366-A378 HydrophobicContact CB-CB 3.88Å; I366-A378 HydrophobicContact CG2-CB 3.55Å |
| 379 | I | 98.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114 | 126 | 179.5 | -62.2 | 168 | 0 | 0 | 0 | 109.6 | Y256 L272 L276 V349 V350 I351 N352 I377 I404 I408 | Y256-I379 CarbonylContact O-C 3.54Å; Y256-I379 WeakPolarHBondContact O-CA 3.42Å; L272-I379 HydrophobicContact CD1-CD1 4.32Å; L272-I379 HydrophobicContact CD1-CG2 3.75Å; L272-I379 HydrophobicContact CD2-CD1 4.1Å; L272-I379 HydrophobicContact CD2-CG2 4.47Å; L276-I379 HydrophobicContact CD1-CD1 3.37Å; V349-I379 HydrophobicContact CG1-CD1 4.42Å; V350-I379 PolarHBondContact O-N 3.42Å; I351-I379 CarbonylContact C-O 3.49Å; I351-I379 VanDerWaalsContact CA-O 3.3Å; I351-I379 WeakPolarHBondContact CA-O 3.16Å; N352-I379 PolarHBondContact N-O 3.47Å; I377-I379 HydrophobicContact CD1-CD1 3.98Å; I377-I379 HydrophobicContact CD1-CG1 4.46Å; I379-I404 HydrophobicContact CD1-CD1 4.11Å; I379-I404 HydrophobicContact CG1-CD1 4.33Å; I379-I404 HydrophobicContact CG2-CD1 4.09Å; I379-I408 HydrophobicContact CD1-CD1 4.28Å |
| 380 | N | 98.7 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 116.2 | -174 | -63.1 | -60.9 | 0 | 0 | 0 | 110.9 | Y256 Y257 A258 N352 F355 Y362 V382 | Y256-N380 WeakPolarHBondContact O-CB 3.23Å; Y256-N380 PolarHBondContact O-N 3.28Å; Y256-N380 PolarHBondContact O-ND2 2.96Å; Y257-N380 CarbonylContact C-O 3.51Å; Y257-N380 VanDerWaalsContact CA-O 3.27Å; Y257-N380 WeakPolarHBondContact CA-O 3.35Å; A258-N380 PolarHBondContact N-O 3.31Å; N352-N380 WeakPolarHBondContact CB-OD1 3.25Å; N352-N380 PolarHBondContact ND2-OD1 3.08Å; F355-N380 HydrophobicContact CD2-CB 3.89Å; F355-N380 HydrophobicContact CE2-CB 4Å; Y362-N380 VanDerWaalsContact CE2-OD1 3.3Å; Y362-N380 WeakPolarHBondContact CE2-OD1 3.48Å; Y362-N380 PolarHBondContact OH-ND2 3.14Å; N380-V382 HydrophobicContact CB-CG2 4.07Å; N380-V382 PolarHBondContact O-N 3.01Å |
| 381 | L | 98.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.4 | 106.2 | 170.8 | -57.4 | -167.1 | 0 | 0 | 0 | 109 | A258 V260 K265 L272 N352 F353 | A258-L381 HydrophobicContact CB-CD2 3.96Å; V260-L381 HydrophobicContact CG2-CB 3.99Å; K265-L381 HydrophobicContact CB-CD1 3.99Å; K265-L381 HydrophobicContact CG-CB 4.38Å; K265-L381 HydrophobicContact CG-CD1 4.03Å; L272-L381 HydrophobicContact CD1-CD2 4.34Å; N352-L381 PolarHBondContact O-N 2.97Å; F353-L381 HydrophobicContact CD2-CD1 3.67Å; F353-L381 HydrophobicContact CE2-CD1 4.04Å; F353-L381 HydrophobicContact CG-CD1 4.33Å |
| 382 | V | 98.5 | Very high | 96.2 | Very high | 2 Ų | 2 | 38.5 Ų | 38.5 | 1% | 0.012 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 124.5 | -172.1 | 177.8 | 0 | 0 | 0 | 0 | 109.3 | A258 Y259 V260 F355 N380 D386 L390 | A258-V382 PolarHBondContact O-N 3.46Å; Y259-V382 CarbonylContact C-O 3.57Å; Y259-V382 WeakPolarHBondContact CA-O 3.2Å; Y259-V382 HydrophobicContact CD2-CG1 4.35Å; V260-V382 PolarHBondContact N-O 2.83Å; F355-V382 HydrophobicContact CD2-CG2 3.88Å; F355-V382 HydrophobicContact CE2-CG2 4.36Å; F355-V382 HydrophobicContact CG-CG2 4.34Å; N380-V382 HydrophobicContact CB-CG2 4.07Å; N380-V382 PolarHBondContact O-N 3.01Å; V382-D386 HydrophobicContact CG1-CB 3.88Å; V382-L390 HydrophobicContact CG1-CD2 4.14Å; V382-L390 HydrophobicContact CG2-CD1 4.5Å; V382-L390 HydrophobicContact CG2-CD2 4.46Å |
| 383 | T | 98.1 | Very high | 96.5 | Very high | 18 Ų | 18 | 36.1 Ų | 36.1 | 11% | 0.11 | 17% | 0.174 | C | C | . | . | trans | -94.6 | 172.3 | 171.5 | 73.3 | 0 | 0 | 0 | 0 | 111.3 | V260 A385 D386 | V260-T383 WeakPolarHBondContact O-CA 3.3Å; T383-A385 PolarHBondContact O-N 3.03Å; T383-A385 PolarHBondContact OG1-N 3.32Å; T383-D386 WeakPolarHBondContact CB-OD2 3.45Å; T383-D386 PolarHBondContact N-OD2 3.41Å; T383-D386 PolarHBondContact O-N 2.91Å; T383-D386 VanDerWaalsContact OG1-CG 3.3Å; T383-D386 PolarHBondContact OG1-OD2 3.25Å | ||
| 384 | Y | 96.7 | Very high | 96.7 | Very high | 147 Ų | 147 | 38 Ų | 38 | 58% | 0.576 | 18% | 0.183 | S | C | * | . | G | 310 helix | trans | -56.3 | -35.7 | 174 | -174.5 | -114.2 | 0 | 0 | 0 | 113.2 | Y259 D386 R387 | Y259-Y384 WeakPolarHBondContact OH-CA 3.4Å; Y259-Y384 WeakPolarHBondContact OH-CB 3.27Å; Y259-Y384 VanDerWaalsContact OH-CD2 3.23Å; Y259-Y384 WeakPolarHBondContact OH-CD2 3.43Å; Y384-D386 PolarHBondContact O-N 3.18Å; Y384-R387 VanDerWaalsContact CZ-CZ 3.42Å; Y384-R387 VanDerWaalsContact CZ-NH1 3.3Å; Y384-R387 WeakPolarHBondContact O-CD 3.37Å; Y384-R387 WeakPolarHBondContact O-CG 3.14Å; Y384-R387 PolarHBondContact O-N 2.8Å; Y384-R387 PolarHBondContact O-NH1 2.93Å; Y384-R387 PolarHBondContact OH-NH2 3.1Å |
| 385 | A | 96 | Very high | 96.8 | Very high | 73 Ų | 73 | 41.3 Ų | 41.3 | 60% | 0.603 | 21% | 0.205 | S | C | * | . | G | 310 helix | trans | -69.1 | -26.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | T383 R387 | T383-A385 PolarHBondContact O-N 3.03Å; T383-A385 PolarHBondContact OG1-N 3.32Å; A385-R387 VanDerWaalsContact C-N 3.32Å; A385-R387 PolarHBondContact O-N 3.35Å |
| 386 | D | 97.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 46 Ų | 46 | 14% | 0.139 | 23% | 0.226 | C | C | . | . | G | 310 helix | trans | -83 | -7.2 | -176.5 | -56.8 | -46.7 | 0 | 0 | 0 | 113 | F355 V382 T383 Y384 Y388 S389 L390 | F355-D386 HydrophobicContact CB-CB 4.02Å; F355-D386 HydrophobicContact CD1-CB 4.41Å; F355-D386 HydrophobicContact CG-CB 4.45Å; V382-D386 HydrophobicContact CG1-CB 3.88Å; T383-D386 WeakPolarHBondContact CB-OD2 3.45Å; T383-D386 PolarHBondContact N-OD2 3.41Å; T383-D386 PolarHBondContact O-N 2.91Å; T383-D386 VanDerWaalsContact OG1-CG 3.3Å; T383-D386 PolarHBondContact OG1-OD2 3.25Å; Y384-D386 PolarHBondContact O-N 3.18Å; D386-Y388 VanDerWaalsContact C-N 3.26Å; D386-Y388 PolarHBondContact O-N 3.31Å; D386-S389 WeakPolarHBondContact O-CB 3.22Å; D386-S389 PolarHBondContact O-N 3.44Å; D386-S389 VanDerWaalsContact O-N 3.09Å; D386-L390 PolarHBondContact O-N 3.26Å |
| 387 | R | 95 | Very high | 96.3 | Very high | 82 Ų | 82 | 46.2 Ų | 46.2 | 31% | 0.309 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.7 | -35.6 | -173.8 | 74.3 | -173.8 | -179 | -83.9 | 5.6 | 114.1 | Y384 A385 K391 | Y384-R387 VanDerWaalsContact CZ-CZ 3.42Å; Y384-R387 VanDerWaalsContact CZ-NH1 3.3Å; Y384-R387 WeakPolarHBondContact O-CD 3.37Å; Y384-R387 WeakPolarHBondContact O-CG 3.14Å; Y384-R387 PolarHBondContact O-N 2.8Å; Y384-R387 PolarHBondContact O-NH1 2.93Å; Y384-R387 PolarHBondContact OH-NH2 3.1Å; A385-R387 VanDerWaalsContact C-N 3.32Å; A385-R387 PolarHBondContact O-N 3.35Å; R387-K391 PolarHBondContact O-N 3.3Å; R387-K391 VanDerWaalsContact O-N 3.11Å |
| 388 | Y | 95.9 | Very high | 96 | Very high | 157 Ų | 157 | 52 Ų | 52 | 62% | 0.616 | 26% | 0.262 | S | S | * | . | H | α-helix | trans | -73.6 | -45.5 | 177.9 | -65.6 | -67.4 | 0 | 0 | 0 | 110.6 | D386 L390 K391 T392 | D386-Y388 VanDerWaalsContact C-N 3.26Å; D386-Y388 PolarHBondContact O-N 3.31Å; Y388-L390 VanDerWaalsContact C-N 3.3Å; Y388-L390 PolarHBondContact O-N 3.16Å; Y388-K391 PolarHBondContact O-N 3.39Å; Y388-T392 PolarHBondContact O-N 3.05Å; Y388-T392 PolarHBondContact O-OG1 2.73Å; Y388-T392 VanDerWaalsContact O-OG1 3.1Å |
| 389 | S | 97.3 | Very high | 95.6 | Very high | 22 Ų | 22 | 53.3 Ų | 53.3 | 15% | 0.154 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -58.1 | -44.2 | 174.4 | -49.5 | 0 | 0 | 0 | 0 | 111.1 | D386 K391 T392 V393 | D386-S389 WeakPolarHBondContact O-CB 3.22Å; D386-S389 PolarHBondContact O-N 3.44Å; D386-S389 VanDerWaalsContact O-N 3.09Å; S389-K391 VanDerWaalsContact C-N 3.35Å; S389-K391 PolarHBondContact O-N 3.06Å; S389-T392 PolarHBondContact O-N 3.48Å; S389-V393 WeakPolarHBondContact O-CB 3.32Å; S389-V393 WeakPolarHBondContact O-CG2 3.19Å; S389-V393 PolarHBondContact O-N 2.78Å |
| 390 | L | 96.8 | Very high | 95.2 | Very high | 20 Ų | 20 | 59.5 Ų | 59.5 | 11% | 0.105 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -56.6 | -50 | 175.7 | 178.5 | 66.1 | 0 | 0 | 0 | 110.8 | F355 V382 D386 Y388 T392 V393 E394 I401 | F355-L390 HydrophobicContact CE1-CB 4.17Å; F355-L390 HydrophobicContact CE1-CD1 4.46Å; F355-L390 HydrophobicContact CE2-CD1 3.9Å; F355-L390 HydrophobicContact CZ-CB 4.22Å; F355-L390 HydrophobicContact CZ-CD1 3.69Å; V382-L390 HydrophobicContact CG1-CD2 4.14Å; V382-L390 HydrophobicContact CG2-CD1 4.5Å; V382-L390 HydrophobicContact CG2-CD2 4.46Å; D386-L390 PolarHBondContact O-N 3.26Å; Y388-L390 VanDerWaalsContact C-N 3.3Å; Y388-L390 PolarHBondContact O-N 3.16Å; L390-T392 VanDerWaalsContact C-N 3.33Å; L390-T392 PolarHBondContact O-N 3.27Å; L390-V393 PolarHBondContact O-N 3.23Å; L390-E394 WeakPolarHBondContact O-CG 3.29Å; L390-E394 PolarHBondContact O-N 3.37Å; L390-I401 HydrophobicContact CD1-CB 4.29Å; L390-I401 HydrophobicContact CD1-CD1 3.6Å; L390-I401 HydrophobicContact CD1-CG1 4.49Å |
| 391 | K | 95.9 | Very high | 95 | Very high | 127 Ų | 127 | 59.6 Ų | 59.6 | 55% | 0.552 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 179.6 | -174.6 | 58.7 | -179 | 172.2 | 0 | 112.6 | R387 Y388 S389 T395 | R387-K391 PolarHBondContact O-N 3.3Å; R387-K391 VanDerWaalsContact O-N 3.11Å; Y388-K391 PolarHBondContact O-N 3.39Å; S389-K391 VanDerWaalsContact C-N 3.35Å; S389-K391 PolarHBondContact O-N 3.06Å; K391-T395 WeakPolarHBondContact O-CB 3.2Å; K391-T395 PolarHBondContact O-N 2.62Å; K391-T395 PolarHBondContact O-OG1 3.36Å |
| 392 | T | 96.3 | Very high | 94.9 | Very high | 56 Ų | 56 | 64.3 Ų | 64.3 | 34% | 0.344 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -61.4 | -47.8 | 174.9 | -63.5 | 0 | 0 | 0 | 0 | 110.8 | Y388 S389 L390 E394 T395 E396 | Y388-T392 PolarHBondContact O-N 3.05Å; Y388-T392 PolarHBondContact O-OG1 2.73Å; Y388-T392 VanDerWaalsContact O-OG1 3.1Å; S389-T392 PolarHBondContact O-N 3.48Å; L390-T392 VanDerWaalsContact C-N 3.33Å; L390-T392 PolarHBondContact O-N 3.27Å; T392-E394 PolarHBondContact O-N 3.4Å; T392-T395 PolarHBondContact O-N 3.45Å; T392-E396 VanDerWaalsContact CG2-CD 3.48Å; T392-E396 HydrophobicContact CG2-CG 4.16Å; T392-E396 VanDerWaalsContact CG2-OE1 3.27Å; T392-E396 WeakPolarHBondContact CG2-OE1 3.39Å; T392-E396 WeakPolarHBondContact O-CB 3.41Å; T392-E396 WeakPolarHBondContact O-CG 3.37Å; T392-E396 PolarHBondContact O-N 3.36Å |
| 393 | V | 95.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 68.1 Ų | 68.1 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58 | -50.2 | 178 | 170.4 | 0 | 0 | 0 | 0 | 111.4 | F355 Y362 S389 L390 T395 L397 I401 | F355-V393 HydrophobicContact CE1-CB 4.36Å; F355-V393 HydrophobicContact CE1-CG2 3.74Å; F355-V393 HydrophobicContact CZ-CB 4.08Å; F355-V393 HydrophobicContact CZ-CG1 4.28Å; F355-V393 HydrophobicContact CZ-CG2 3.84Å; Y362-V393 HydrophobicContact CD1-CG1 3.41Å; Y362-V393 VanDerWaalsContact CD1-CG1 3.41Å; Y362-V393 HydrophobicContact CD2-CG1 4.04Å; Y362-V393 HydrophobicContact CE1-CG1 3.72Å; Y362-V393 HydrophobicContact CE2-CG1 4.32Å; Y362-V393 HydrophobicContact CG-CG1 3.57Å; Y362-V393 HydrophobicContact CG-CG2 4.33Å; S389-V393 WeakPolarHBondContact O-CB 3.32Å; S389-V393 WeakPolarHBondContact O-CG2 3.19Å; S389-V393 PolarHBondContact O-N 2.78Å; L390-V393 PolarHBondContact O-N 3.23Å; V393-T395 VanDerWaalsContact C-N 3.3Å; V393-T395 PolarHBondContact O-N 3.34Å; V393-L397 HydrophobicContact CG1-CD1 3.85Å; V393-L397 HydrophobicContact CG1-CG 4.47Å; V393-L397 VanDerWaalsContact O-CB 3.29Å; V393-L397 WeakPolarHBondContact O-CB 3.47Å; V393-L397 WeakPolarHBondContact O-CG 3.16Å; V393-L397 PolarHBondContact O-N 2.57Å; V393-I401 HydrophobicContact CG1-CD1 4.05Å |
| 394 | E | 94.9 | Very high | 94.7 | Very high | 41 Ų | 41 | 69.6 Ų | 69.6 | 19% | 0.192 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 178.7 | -71.6 | -174.1 | 138.1 | 0 | 0 | 112.2 | L390 T392 V398 T399 I401 | L390-E394 WeakPolarHBondContact O-CG 3.29Å; L390-E394 PolarHBondContact O-N 3.37Å; T392-E394 PolarHBondContact O-N 3.4Å; E394-V398 WeakPolarHBondContact O-CA 3.34Å; E394-V398 PolarHBondContact O-N 3.34Å; E394-T399 WeakPolarHBondContact CA-O 3.36Å; E394-T399 VanDerWaalsContact CB-O 3.28Å; E394-T399 WeakPolarHBondContact CB-O 3.35Å; E394-T399 WeakPolarHBondContact CG-O 3.35Å; E394-T399 PolarHBondContact O-N 3.14Å; E394-T399 VanDerWaalsContact O-N 3.12Å; E394-I401 HydrophobicContact CG-CD1 4.16Å; E394-I401 HydrophobicContact CG-CG1 4.16Å; E394-I401 PolarHBondContact OE1-N 3.32Å |
| 395 | T | 94.3 | Very high | 94.6 | Very high | 87 Ų | 87 | 65.1 Ų | 65.1 | 53% | 0.534 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -71 | -47.6 | -177.8 | -54 | 0 | 0 | 0 | 0 | 111.7 | K391 T392 V393 | K391-T395 WeakPolarHBondContact O-CB 3.2Å; K391-T395 PolarHBondContact O-N 2.62Å; K391-T395 PolarHBondContact O-OG1 3.36Å; T392-T395 PolarHBondContact O-N 3.45Å; V393-T395 VanDerWaalsContact C-N 3.3Å; V393-T395 PolarHBondContact O-N 3.34Å |
| 396 | E | 92.3 | Very high | 94.5 | Very high | 109 Ų | 109 | 70.5 Ų | 70.5 | 51% | 0.509 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -73.4 | -34.1 | -176.3 | -70.6 | 179.1 | 178.3 | 0 | 0 | 112.8 | S359 T392 | S359-E396 WeakPolarHBondContact CB-OE2 3.41Å; S359-E396 PolarHBondContact OG-OE2 2.75Å; T392-E396 VanDerWaalsContact CG2-CD 3.48Å; T392-E396 HydrophobicContact CG2-CG 4.16Å; T392-E396 VanDerWaalsContact CG2-OE1 3.27Å; T392-E396 WeakPolarHBondContact CG2-OE1 3.39Å; T392-E396 WeakPolarHBondContact O-CB 3.41Å; T392-E396 WeakPolarHBondContact O-CG 3.37Å; T392-E396 PolarHBondContact O-N 3.36Å |
| 397 | L | 90.5 | Very high | 94.2 | Very high | 4 Ų | 4 | 77.5 Ų | 77.5 | 2% | 0.021 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -90.5 | -5.8 | 178.6 | -57.2 | -175 | 0 | 0 | 0 | 113.2 | L248 T249 Y362 L363 V393 T399 | L248-L397 HydrophobicContact CB-CD2 4.1Å; L248-L397 HydrophobicContact CD1-CD2 3.51Å; L248-L397 HydrophobicContact CG-CD2 4.45Å; T249-L397 HydrophobicContact CG2-CB 4.33Å; T249-L397 HydrophobicContact CG2-CD1 4.29Å; Y362-L397 HydrophobicContact CD1-CD1 3.51Å; Y362-L397 HydrophobicContact CE1-CD1 4.11Å; L363-L397 HydrophobicContact CB-CD1 4.34Å; L363-L397 HydrophobicContact CB-CD2 4.46Å; V393-L397 HydrophobicContact CG1-CD1 3.85Å; V393-L397 HydrophobicContact CG1-CG 4.47Å; V393-L397 VanDerWaalsContact O-CB 3.29Å; V393-L397 WeakPolarHBondContact O-CB 3.47Å; V393-L397 WeakPolarHBondContact O-CG 3.16Å; V393-L397 PolarHBondContact O-N 2.57Å; L397-T399 VanDerWaalsContact C-N 3.25Å; L397-T399 HydrophobicContact CB-CG2 3.98Å; L397-T399 PolarHBondContact O-N 3.09Å |
| 398 | V | 90.5 | Very high | 94.2 | Very high | 121 Ų | 121 | 74.5 Ų | 74.5 | 73% | 0.733 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 49.3 | -176.3 | -163.7 | 0 | 0 | 0 | 0 | 110.3 | E394 | E394-V398 WeakPolarHBondContact O-CA 3.34Å; E394-V398 PolarHBondContact O-N 3.34Å |
| 399 | T | 89.4 | Confident | 94.2 | Very high | 28 Ų | 28 | 69.8 Ų | 69.8 | 17% | 0.172 | 36% | 0.358 | C | S | . | . | trans | -128.8 | 152.6 | -179.6 | -165.2 | 0 | 0 | 0 | 0 | 110.1 | T249 E255 E394 L397 I401 | T249-T399 HydrophobicContact CG2-CG2 4.28Å; E255-T399 PolarHBondContact OE1-OG1 3.34Å; E394-T399 WeakPolarHBondContact CA-O 3.36Å; E394-T399 VanDerWaalsContact CB-O 3.28Å; E394-T399 WeakPolarHBondContact CB-O 3.35Å; E394-T399 WeakPolarHBondContact CG-O 3.35Å; E394-T399 PolarHBondContact O-N 3.14Å; E394-T399 VanDerWaalsContact O-N 3.12Å; L397-T399 VanDerWaalsContact C-N 3.25Å; L397-T399 HydrophobicContact CB-CG2 3.98Å; L397-T399 PolarHBondContact O-N 3.09Å; T399-I401 HydrophobicContact CG2-CG1 4.37Å | ||
| 400 | E | 89.8 | Confident | 94.2 | Very high | 129 Ų | 129 | 72.3 Ų | 72.3 | 60% | 0.603 | 37% | 0.366 | S | S | * | . | trans | -107.8 | 119.3 | 173.1 | -176.9 | -170.1 | -163.3 | 0 | 0 | 108.6 | K402 | E400-K402 HydrophobicContact CG-CG 4.29Å; E400-K402 WeakPolarHBondContact OE2-CE 3.45Å | ||
| 401 | I | 95.6 | Very high | 94.1 | Very high | 3 Ų | 3 | 74.8 Ų | 74.8 | 2% | 0.015 | 37% | 0.374 | C | S | . | . | trans | -93.2 | 110.7 | 175.3 | -57.2 | 169.2 | 0 | 0 | 0 | 106.7 | E255 Y257 F355 Y362 L390 V393 E394 T399 | E255-I401 HydrophobicContact CB-CG1 4.26Å; E255-I401 HydrophobicContact CB-CG2 4.3Å; Y257-I401 HydrophobicContact CD1-CG2 4.06Å; Y257-I401 WeakPolarHBondContact CD1-O 3.37Å; Y257-I401 VanDerWaalsContact CE1-O 3.26Å; Y257-I401 WeakPolarHBondContact CE1-O 3.21Å; Y257-I401 HydrophobicContact CG-CG2 4.49Å; F355-I401 HydrophobicContact CE2-CD1 4.44Å; F355-I401 HydrophobicContact CZ-CD1 4.39Å; Y362-I401 HydrophobicContact CE1-CD1 4.19Å; Y362-I401 HydrophobicContact CE2-CD1 4.04Å; Y362-I401 VanDerWaalsContact OH-CD1 3.27Å; Y362-I401 WeakPolarHBondContact OH-CD1 3.15Å; L390-I401 HydrophobicContact CD1-CB 4.29Å; L390-I401 HydrophobicContact CD1-CD1 3.6Å; L390-I401 HydrophobicContact CD1-CG1 4.49Å; V393-I401 HydrophobicContact CG1-CD1 4.05Å; E394-I401 HydrophobicContact CG-CD1 4.16Å; E394-I401 HydrophobicContact CG-CG1 4.16Å; E394-I401 PolarHBondContact OE1-N 3.32Å; T399-I401 HydrophobicContact CG2-CG1 4.37Å | ||
| 402 | K | 95 | Very high | 94.1 | Very high | 99 Ų | 99 | 69.1 Ų | 69.1 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 151.3 | -170.6 | -67.3 | 176.5 | -176.7 | 175.9 | 0 | 111.7 | E255 Y256 Y257 E400 I404 | E255-K402 PolarHBondContact O-N 2.73Å; Y256-K402 CarbonylContact C-O 3.41Å; Y256-K402 WeakPolarHBondContact CA-O 3.36Å; Y256-K402 HydrophobicContact CD1-CB 4.11Å; Y256-K402 HydrophobicContact CE1-CB 4.33Å; Y257-K402 WeakPolarHBondContact CD1-O 3.14Å; Y257-K402 PolarHBondContact N-O 3.33Å; E400-K402 HydrophobicContact CG-CG 4.29Å; E400-K402 WeakPolarHBondContact OE2-CE 3.45Å; K402-I404 PolarHBondContact O-N 2.85Å |
| 403 | P | 96.7 | Very high | 94 | Very high | 82 Ų | 82 | 66.6 Ų | 66.6 | 53% | 0.532 | 33% | 0.334 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.4 | 136 | 168.2 | -18.3 | 28.5 | 0 | 0 | 0 | 110.1 | Y257 P405 | Y257-P403 HydrophobicContact CE1-CB 4.19Å; Y257-P403 HydrophobicContact CE1-CG 3.83Å; P403-P405 WeakPolarHBondContact O-CD 3.38Å |
| 404 | I | 96.5 | Very high | 94.1 | Very high | 49 Ų | 49 | 66.7 Ų | 66.7 | 25% | 0.251 | 34% | 0.335 | S | S | . | . | P | Polyproline II helix | trans | -61.9 | 126.1 | 178.6 | -166.1 | 172.1 | 0 | 0 | 0 | 110.1 | Y256 Y257 A258 L272 I379 K402 I408 | Y256-I404 HydrophobicContact CG-CG1 4.38Å; Y257-I404 PolarHBondContact O-N 2.94Å; A258-I404 HydrophobicContact CB-CG2 3.89Å; L272-I404 HydrophobicContact CD2-CD1 3.63Å; I379-I404 HydrophobicContact CD1-CD1 4.11Å; I379-I404 HydrophobicContact CG1-CD1 4.33Å; I379-I404 HydrophobicContact CG2-CD1 4.09Å; K402-I404 PolarHBondContact O-N 2.85Å; I404-I408 HydrophobicContact CD1-CD1 4.12Å; I404-I408 HydrophobicContact CG1-CD1 4.04Å; I404-I408 HydrophobicContact CG1-CG1 4.48Å |
| 405 | P | 95.2 | Very high | 94 | Very high | 53 Ų | 53 | 66.7 Ų | 66.7 | 34% | 0.344 | 34% | 0.341 | S | S | . | . | P | Polyproline II helix | trans | -72.7 | 168.1 | 176.8 | 30.8 | -36.2 | 0 | 0 | 0 | 111.1 | Y256 P403 E407 I408 | Y256-P405 VanDerWaalsContact CE1-CD 3.48Å; Y256-P405 HydrophobicContact CE1-CG 4.16Å; P403-P405 WeakPolarHBondContact O-CD 3.38Å; P405-E407 WeakPolarHBondContact CB-O 3.12Å; P405-E407 VanDerWaalsContact CG-O 3.22Å; P405-E407 WeakPolarHBondContact CG-O 3.22Å; P405-E407 PolarHBondContact O-N 2.76Å; P405-I408 HydrophobicContact CG-CG1 3.88Å |
| 406 | K | 92.3 | Very high | 93.9 | Very high | 185 Ų | 185 | 69.1 Ų | 69.1 | 80% | 0.804 | 35% | 0.346 | S | S | * | . | S | Bend | trans | -59.8 | -33.9 | 176.1 | -71.7 | -176 | 178.5 | 179.5 | 0 | 112.6 | K275 | K275-K406 PolarHBondContact NZ-O 3.27Š|
| 407 | E | 93 | Very high | 94 | Very high | 173 Ų | 173 | 69 Ų | 69 | 81% | 0.808 | 34% | 0.342 | S | S | * | . | S | Bend | trans | -139 | 137.1 | 179.2 | -67.1 | 179.1 | -178.2 | 0 | 0 | 108.7 | P405 | P405-E407 WeakPolarHBondContact CB-O 3.12Å; P405-E407 VanDerWaalsContact CG-O 3.22Å; P405-E407 WeakPolarHBondContact CG-O 3.22Å; P405-E407 PolarHBondContact O-N 2.76Å |
| 408 | I | 95.4 | Very high | 94.2 | Very high | 19 Ų | 19 | 68.9 Ų | 68.9 | 10% | 0.097 | 34% | 0.342 | C | S | . | . | trans | -105.8 | 125.4 | 176.3 | -59.4 | 179.3 | 0 | 0 | 0 | 107.5 | Y256 L276 I377 I379 I404 P405 K410 L412 Y413 | Y256-I408 HydrophobicContact CD2-CD1 3.72Å; Y256-I408 HydrophobicContact CD2-CG1 4.45Å; Y256-I408 HydrophobicContact CE2-CD1 3.73Å; Y256-I408 HydrophobicContact CE2-CG1 4.06Å; Y256-I408 HydrophobicContact CE2-CG2 3.93Å; L276-I408 HydrophobicContact CD2-CB 4.39Å; L276-I408 HydrophobicContact CD2-CD1 3.88Å; L276-I408 HydrophobicContact CD2-CG1 4.42Å; I377-I408 HydrophobicContact CD1-CD1 4.06Å; I377-I408 HydrophobicContact CG2-CG2 4.3Å; I379-I408 HydrophobicContact CD1-CD1 4.28Å; I404-I408 HydrophobicContact CD1-CD1 4.12Å; I404-I408 HydrophobicContact CG1-CD1 4.04Å; I404-I408 HydrophobicContact CG1-CG1 4.48Å; P405-I408 HydrophobicContact CG-CG1 3.88Å; I408-K410 PolarHBondContact O-N 3.1Å; I408-L412 HydrophobicContact CG2-CD1 4.18Å; I408-Y413 HydrophobicContact CB-CE1 4.45Å; I408-Y413 HydrophobicContact CG2-CD1 4.14Å; I408-Y413 HydrophobicContact CG2-CE1 3.98Å | ||
| 409 | D | 95.2 | Very high | 94.3 | Very high | 58 Ų | 58 | 65.4 Ų | 65.4 | 31% | 0.31 | 32% | 0.319 | S | S | . | . | trans | -59.6 | 128.3 | 176.9 | -169.6 | -45.9 | 0 | 0 | 0 | 110.7 | R411 L412 L437 | D409-R411 PolarHBondContact O-N 3.24Å; D409-R411 VanDerWaalsContact OD1-CB 3.29Å; D409-R411 WeakPolarHBondContact OD1-CB 3.2Å; D409-R411 WeakPolarHBondContact OD1-CG 3.45Å; D409-R411 PolarHBondContact OD1-N 3.4Å; D409-R411 IonicContact OD1-NE 3.71Å; D409-R411 PolarHBondContact OD1-NE 2.96Å; D409-R411 IonicContact OD2-CZ 3.96Å; D409-R411 IonicContact OD2-NE 3.02Å; D409-R411 PolarHBondContact OD2-NE 3.24Å; D409-R411 VanDerWaalsContact OD2-NE 3.12Å; D409-R411 IonicContact OD2-NH2 2.9Å; D409-R411 PolarHBondContact OD2-NH2 3.14Å; D409-L412 HydrophobicContact CB-CD1 4.47Å; D409-L412 WeakPolarHBondContact O-CB 3.3Å; D409-L412 PolarHBondContact O-N 3.44Å; D409-L412 VanDerWaalsContact O-N 3.14Å; D409-L437 HydrophobicContact CB-CD1 3.36Å; D409-L437 WeakPolarHBondContact OD2-CD1 3.39Å | ||
| 410 | K | 96.1 | Very high | 94.3 | Very high | 75 Ų | 75 | 68 Ų | 68 | 33% | 0.326 | 33% | 0.329 | S | S | . | . | G | 310 helix | trans | -62.9 | -27.2 | -176.7 | -65.9 | -174.5 | -175.7 | -173.1 | 0 | 112.7 | I408 L412 Y413 V414 Y417 | I408-K410 PolarHBondContact O-N 3.1Å; K410-L412 PolarHBondContact O-N 3.48Å; K410-L412 VanDerWaalsContact O-N 3.07Å; K410-Y413 PolarHBondContact O-N 3.35Å; K410-Y413 VanDerWaalsContact O-N 3.07Å; K410-V414 HydrophobicContact CB-CB 4.01Å; K410-V414 HydrophobicContact CB-CG2 3.77Å; K410-V414 HydrophobicContact CG-CG2 4.07Å; K410-V414 VanDerWaalsContact O-CB 3.29Å; K410-V414 WeakPolarHBondContact O-CB 3.48Å; K410-V414 PolarHBondContact O-N 2.72Å; K410-Y417 HydrophobicContact CB-CD1 4.24Å; K410-Y417 HydrophobicContact CB-CD2 3.73Å; K410-Y417 HydrophobicContact CB-CE1 4.46Å; K410-Y417 HydrophobicContact CB-CE2 3.96Å; K410-Y417 HydrophobicContact CB-CG 3.86Å; K410-Y417 HydrophobicContact CD-CD2 4.1Å; K410-Y417 HydrophobicContact CD-CE1 4.23Å; K410-Y417 HydrophobicContact CD-CE2 3.44Å; K410-Y417 VanDerWaalsContact CD-CE2 3.44Å; K410-Y417 HydrophobicContact CG-CE2 4.37Å; K410-Y417 PolarHBondContact NZ-OH 3.42Å |
| 411 | R | 95.3 | Very high | 94.3 | Very high | 72 Ų | 72 | 67.6 Ų | 67.6 | 27% | 0.272 | 33% | 0.331 | S | S | . | . | G | 310 helix | trans | -57.5 | -24.9 | 175.7 | -65.6 | 177.4 | -72.4 | 177.5 | -1.7 | 112.5 | L375 D409 Y413 Q418 L423 L437 | L375-R411 WeakPolarHBondContact CD1-O 3.47Å; D409-R411 PolarHBondContact O-N 3.24Å; D409-R411 VanDerWaalsContact OD1-CB 3.29Å; D409-R411 WeakPolarHBondContact OD1-CB 3.2Å; D409-R411 WeakPolarHBondContact OD1-CG 3.45Å; D409-R411 PolarHBondContact OD1-N 3.4Å; D409-R411 IonicContact OD1-NE 3.71Å; D409-R411 PolarHBondContact OD1-NE 2.96Å; D409-R411 IonicContact OD2-CZ 3.96Å; D409-R411 IonicContact OD2-NE 3.02Å; D409-R411 PolarHBondContact OD2-NE 3.24Å; D409-R411 VanDerWaalsContact OD2-NE 3.12Å; D409-R411 IonicContact OD2-NH2 2.9Å; D409-R411 PolarHBondContact OD2-NH2 3.14Å; R411-Y413 VanDerWaalsContact C-N 3.34Å; R411-Y413 PolarHBondContact O-N 2.99Å; R411-Q418 VanDerWaalsContact O-CG 3.29Å; R411-Q418 WeakPolarHBondContact O-CG 3.47Å; R411-Q418 PolarHBondContact O-NE2 2.76Å; R411-L423 HydrophobicContact CG-CD2 4.4Å; R411-L437 HydrophobicContact CB-CD1 4.4Å; R411-L437 HydrophobicContact CB-CD2 4.2Å |
| 412 | L | 95.2 | Very high | 94.2 | Very high | 8 Ų | 8 | 73.4 Ų | 73.4 | 4% | 0.042 | 36% | 0.362 | C | S | . | . | G | 310 helix | trans | -74.8 | -17.2 | 179.5 | -64.4 | 174.6 | 0 | 0 | 0 | 114.4 | T254 L375 G376 I377 I408 D409 K410 L431 L437 | T254-L412 HydrophobicContact CG2-CD1 4.31Å; L375-L412 CarbonylContact C-O 3.34Å; L375-L412 VanDerWaalsContact CB-O 3.27Å; L375-L412 WeakPolarHBondContact CB-O 3.37Å; G376-L412 PolarHBondContact N-O 2.92Å; I377-L412 HydrophobicContact CG2-CB 4.31Å; I408-L412 HydrophobicContact CG2-CD1 4.18Å; D409-L412 HydrophobicContact CB-CD1 4.47Å; D409-L412 WeakPolarHBondContact O-CB 3.3Å; D409-L412 PolarHBondContact O-N 3.44Å; D409-L412 VanDerWaalsContact O-N 3.14Å; K410-L412 PolarHBondContact O-N 3.48Å; K410-L412 VanDerWaalsContact O-N 3.07Å; L412-L431 HydrophobicContact CD2-CD2 3.99Å; L412-L437 HydrophobicContact CD1-CD1 4.31Å; L412-L437 HydrophobicContact CD2-CD1 4.08Å; L412-L437 HydrophobicContact CD2-CG 3.8Å; L412-L437 HydrophobicContact CG-CD1 3.89Å; L412-L437 HydrophobicContact CG-CG 4.19Å |
| 413 | Y | 96 | Very high | 94 | Very high | 4 Ų | 4 | 69.4 Ų | 69.4 | 2% | 0.016 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -154.6 | -10.5 | -173.2 | 71.5 | -73.4 | 0 | 0 | 0 | 115.9 | L276 Q277 N348 V349 I377 I408 K410 R411 Q418 | L276-Y413 HydrophobicContact CB-CE2 4.38Å; Q277-Y413 HydrophobicContact CB-CE2 4.49Å; Q277-Y413 PolarHBondContact N-OH 3.17Å; Q277-Y413 WeakPolarHBondContact O-CE2 3.2Å; N348-Y413 WeakPolarHBondContact CB-O 3.36Å; N348-Y413 WeakPolarHBondContact ND2-CD2 3.41Å; N348-Y413 PolarHBondContact ND2-O 3.47Å; V349-Y413 HydrophobicContact CG2-CD2 3.74Å; V349-Y413 HydrophobicContact CG2-CE2 4.11Å; I377-Y413 HydrophobicContact CD1-CD1 4.04Å; I377-Y413 HydrophobicContact CD1-CD2 3.93Å; I377-Y413 HydrophobicContact CD1-CE1 4.34Å; I377-Y413 HydrophobicContact CD1-CE2 4.23Å; I377-Y413 HydrophobicContact CD1-CG 3.85Å; I377-Y413 HydrophobicContact CG1-CD1 4.45Å; I377-Y413 HydrophobicContact CG1-CD2 4.13Å; I377-Y413 HydrophobicContact CG1-CG 3.91Å; I377-Y413 HydrophobicContact CG2-CD1 4.27Å; I377-Y413 HydrophobicContact CG2-CG 4.28Å; I408-Y413 HydrophobicContact CB-CE1 4.45Å; I408-Y413 HydrophobicContact CG2-CD1 4.14Å; I408-Y413 HydrophobicContact CG2-CE1 3.98Å; K410-Y413 PolarHBondContact O-N 3.35Å; K410-Y413 VanDerWaalsContact O-N 3.07Å; R411-Y413 VanDerWaalsContact C-N 3.34Å; R411-Y413 PolarHBondContact O-N 2.99Å; Y413-Q418 VanDerWaalsContact CA-NE2 3.26Å |
| 414 | V | 96.2 | Very high | 93.8 | Very high | 2 Ų | 2 | 68.9 Ų | 68.9 | 1% | 0.012 | 34% | 0.338 | C | S | . | . | trans | -102.7 | 116.7 | -175.9 | -175.7 | 0 | 0 | 0 | 0 | 109 | Q277 K410 E416 Y417 Q418 | Q277-V414 HydrophobicContact CB-CG2 3.91Å; Q277-V414 HydrophobicContact CG-CG1 4.18Å; Q277-V414 HydrophobicContact CG-CG2 4.32Å; K410-V414 HydrophobicContact CB-CB 4.01Å; K410-V414 HydrophobicContact CB-CG2 3.77Å; K410-V414 HydrophobicContact CG-CG2 4.07Å; K410-V414 VanDerWaalsContact O-CB 3.29Å; K410-V414 WeakPolarHBondContact O-CB 3.48Å; K410-V414 PolarHBondContact O-N 2.72Å; V414-E416 VanDerWaalsContact C-N 3.26Å; V414-E416 WeakPolarHBondContact CG1-OE2 3.37Å; V414-E416 PolarHBondContact O-N 2.86Å; V414-Y417 HydrophobicContact CB-CD2 3.78Å; V414-Y417 HydrophobicContact CB-CE2 4.44Å; V414-Y417 HydrophobicContact CG1-CD2 3.51Å; V414-Y417 HydrophobicContact CG1-CE2 3.88Å; V414-Y417 PolarHBondContact O-N 3.08Å; V414-Q418 WeakPolarHBondContact O-CG 3.22Å | ||
| 415 | A | 93 | Very high | 93.6 | Very high | 40 Ų | 40 | 70.9 Ų | 70.9 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -53.6 | -39.6 | -171.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y417 Q418 | A415-Y417 PolarHBondContact O-N 2.83Å; A415-Q418 WeakPolarHBondContact O-CB 3.42Å; A415-Q418 PolarHBondContact O-N 3.38Å |
| 416 | E | 92.5 | Very high | 93.4 | Very high | 138 Ų | 138 | 74.4 Ų | 74.4 | 65% | 0.645 | 37% | 0.367 | S | S | * | . | G | 310 helix | trans | -63.7 | -25.1 | -178.9 | -60.8 | 81.4 | 180 | 0 | 0 | 112.8 | V414 | V414-E416 VanDerWaalsContact C-N 3.26Å; V414-E416 WeakPolarHBondContact CG1-OE2 3.37Å; V414-E416 PolarHBondContact O-N 2.86Å |
| 417 | Y | 94.3 | Very high | 93.5 | Very high | 107 Ų | 107 | 65.8 Ų | 65.8 | 42% | 0.42 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -95.5 | 4.5 | 178.4 | -64.8 | -96.1 | 0 | 0 | 0 | 112.8 | K410 V414 A415 | K410-Y417 HydrophobicContact CB-CD1 4.24Å; K410-Y417 HydrophobicContact CB-CD2 3.73Å; K410-Y417 HydrophobicContact CB-CE1 4.46Å; K410-Y417 HydrophobicContact CB-CE2 3.96Å; K410-Y417 HydrophobicContact CB-CG 3.86Å; K410-Y417 HydrophobicContact CD-CD2 4.1Å; K410-Y417 HydrophobicContact CD-CE1 4.23Å; K410-Y417 HydrophobicContact CD-CE2 3.44Å; K410-Y417 VanDerWaalsContact CD-CE2 3.44Å; K410-Y417 HydrophobicContact CG-CE2 4.37Å; K410-Y417 PolarHBondContact NZ-OH 3.42Å; V414-Y417 HydrophobicContact CB-CD2 3.78Å; V414-Y417 HydrophobicContact CB-CE2 4.44Å; V414-Y417 HydrophobicContact CG1-CD2 3.51Å; V414-Y417 HydrophobicContact CG1-CE2 3.88Å; V414-Y417 PolarHBondContact O-N 3.08Å; A415-Y417 PolarHBondContact O-N 2.83Å |
| 418 | Q | 94.1 | Very high | 93.4 | Very high | 2 Ų | 2 | 61.6 Ų | 61.6 | 1% | 0.009 | 31% | 0.307 | C | S | . | . | trans | -108.7 | 6.6 | -173.9 | -68.5 | 168.8 | 3.1 | 0 | 0 | 113.2 | R29 I30 L375 R411 Y413 V414 A415 E420 | R29-Q418 CarbonylContact C-O 3.38Å; R29-Q418 VanDerWaalsContact CA-O 3.27Å; R29-Q418 WeakPolarHBondContact CA-O 3.23Å; R29-Q418 HydrophobicContact CB-CB 4.26Å; R29-Q418 HydrophobicContact CG-CB 4.16Å; I30-Q418 HydrophobicContact CG2-CB 4.39Å; I30-Q418 PolarHBondContact N-O 2.84Å; L375-Q418 HydrophobicContact CD1-CG 4.29Å; L375-Q418 PolarHBondContact O-NE2 2.81Å; R411-Q418 VanDerWaalsContact O-CG 3.29Å; R411-Q418 WeakPolarHBondContact O-CG 3.47Å; R411-Q418 PolarHBondContact O-NE2 2.76Å; Y413-Q418 VanDerWaalsContact CA-NE2 3.26Å; V414-Q418 WeakPolarHBondContact O-CG 3.22Å; A415-Q418 WeakPolarHBondContact O-CB 3.42Å; A415-Q418 PolarHBondContact O-N 3.38Å; Q418-E420 PolarHBondContact O-N 3.24Å | ||
| 419 | N | 93.2 | Very high | 93.3 | Very high | 48 Ų | 48 | 66.1 Ų | 66.1 | 26% | 0.257 | 33% | 0.328 | S | S | . | . | B | Isolated β-bridge | trans | -60.3 | 120.2 | 176.6 | -171.2 | -41.4 | 0 | 0 | 0 | 109.8 | N421 N422 | N419-N421 PolarHBondContact O-N 2.74Å; N419-N421 WeakPolarHBondContact OD1-CB 3.34Å; N419-N421 PolarHBondContact OD1-N 3.47Å; N419-N421 VanDerWaalsContact OD1-N 3.08Å; N419-N422 HydrophobicContact CB-CB 4.41Å; N419-N422 PolarHBondContact O-N 3.13Å |
| 420 | E | 89 | Confident | 93.2 | Very high | 81 Ų | 81 | 63.9 Ų | 63.9 | 38% | 0.379 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -58 | -35.9 | -173.8 | -172.9 | 176.3 | -177 | 0 | 0 | 112.2 | M28 Q418 N422 L423 R428 | M28-E420 PolarHBondContact O-N 3.27Å; Q418-E420 PolarHBondContact O-N 3.24Å; E420-N422 PolarHBondContact O-N 3.09Å; E420-L423 PolarHBondContact O-N 2.94Å; E420-R428 WeakPolarHBondContact O-CD 3.22Å; E420-R428 IonicContact OE1-NH1 3.94Å |
| 421 | N | 90.9 | Very high | 93 | Very high | 121 Ų | 121 | 60.5 Ų | 60.5 | 65% | 0.647 | 30% | 0.303 | S | S | * | . | G | 310 helix | trans | -68.6 | -18 | -179.4 | -64.2 | -26.8 | 0 | 0 | 0 | 113.3 | M28 N419 | M28-N421 WeakPolarHBondContact CE-ND2 3.38Å; N419-N421 PolarHBondContact O-N 2.74Å; N419-N421 WeakPolarHBondContact OD1-CB 3.34Å; N419-N421 PolarHBondContact OD1-N 3.47Å; N419-N421 VanDerWaalsContact OD1-N 3.08Å |
| 422 | N | 92.3 | Very high | 92.9 | Very high | 125 Ų | 125 | 60.6 Ų | 60.6 | 67% | 0.668 | 31% | 0.306 | S | S | * | . | G | 310 helix | trans | -97.6 | 1.4 | -178.4 | -64.2 | -13.9 | 0 | 0 | 0 | 112.9 | N419 E420 | N419-N422 HydrophobicContact CB-CB 4.41Å; N419-N422 PolarHBondContact O-N 3.13Å; E420-N422 PolarHBondContact O-N 3.09Å |
| 423 | L | 90.7 | Very high | 92.7 | Very high | 16 Ų | 16 | 62.4 Ų | 62.4 | 8% | 0.084 | 32% | 0.315 | C | S | . | . | S | Bend | trans | -106.4 | 132.9 | -177.3 | -64.1 | 174.2 | 0 | 0 | 0 | 110.8 | I30 R411 E420 T427 R428 L431 | I30-L423 HydrophobicContact CB-CD1 4.22Å; I30-L423 HydrophobicContact CD1-CD1 4.2Å; I30-L423 HydrophobicContact CG2-CD1 3.98Å; R411-L423 HydrophobicContact CG-CD2 4.4Å; E420-L423 PolarHBondContact O-N 2.94Å; L423-T427 HydrophobicContact CD2-CG2 4.01Å; L423-R428 HydrophobicContact CB-CG 3.43Å; L423-R428 VanDerWaalsContact CB-CG 3.43Å; L423-R428 HydrophobicContact CD1-CG 4.35Å; L423-R428 WeakPolarHBondContact O-CD 3.21Å; L423-R428 PolarHBondContact O-NE 3.32Å; L423-L431 HydrophobicContact CD1-CD1 4.04Å |
| 424 | D | 93 | Very high | 92.3 | Very high | 71 Ų | 71 | 63.8 Ų | 63.8 | 38% | 0.38 | 33% | 0.33 | S | S | . | . | trans | -63 | 154.2 | 174.5 | 70.6 | -88.1 | 0 | 0 | 0 | 111.2 | M426 T427 R428 | D424-M426 VanDerWaalsContact C-N 3.27Å; D424-M426 PolarHBondContact O-N 3.23Å; D424-M426 WeakPolarHBondContact OD2-CA 3.44Å; D424-M426 WeakPolarHBondContact OD2-CB 3.46Å; D424-M426 PolarHBondContact OD2-N 2.81Å; D424-T427 PolarHBondContact O-N 3.21Å; D424-T427 WeakPolarHBondContact OD1-CB 3.48Å; D424-T427 PolarHBondContact OD1-OG1 2.89Å; D424-T427 PolarHBondContact OD2-N 2.66Å; D424-T427 PolarHBondContact OD2-OG1 3.19Å; D424-R428 WeakPolarHBondContact O-CG 3.34Å; D424-R428 PolarHBondContact O-N 3.17Å | ||
| 425 | P | 92.3 | Very high | 91.9 | Very high | 90 Ų | 90 | 72 Ų | 72 | 58% | 0.584 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -54.4 | -37.3 | -176.9 | -25.8 | 33.6 | 0 | 0 | 0 | 114.7 | R428 E429 | P425-R428 PolarHBondContact O-N 2.8Å; P425-E429 WeakPolarHBondContact O-CB 3.16Å; P425-E429 PolarHBondContact O-N 3.14Å |
| 426 | M | 92 | Very high | 91.6 | Very high | 127 Ų | 127 | 71 Ų | 71 | 63% | 0.626 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -70.5 | -43.8 | -178.4 | -172.6 | -176.6 | -176 | 0 | 0 | 110.8 | D424 E429 A430 P438 | D424-M426 VanDerWaalsContact C-N 3.27Å; D424-M426 PolarHBondContact O-N 3.23Å; D424-M426 WeakPolarHBondContact OD2-CA 3.44Å; D424-M426 WeakPolarHBondContact OD2-CB 3.46Å; D424-M426 PolarHBondContact OD2-N 2.81Å; M426-E429 PolarHBondContact O-N 3.2Å; M426-A430 WeakPolarHBondContact O-CB 2.83Å; M426-A430 PolarHBondContact O-N 2.89Å; M426-P438 HydrophobicContact CE-CB 3.88Å; M426-P438 HydrophobicContact CG-CB 4.36Å; M426-P438 HydrophobicContact CG-CG 4.35Å; M426-P438 HydrophobicContact SD-CB 4.17Å; M426-P438 HydrophobicContact SD-CG 4.49Å |
| 427 | T | 93 | Very high | 91.4 | Very high | 4 Ų | 4 | 66.2 Ų | 66.2 | 3% | 0.025 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -62.7 | -43.4 | 173.7 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | L423 D424 A430 L431 L437 | L423-T427 HydrophobicContact CD2-CG2 4.01Å; D424-T427 PolarHBondContact O-N 3.21Å; D424-T427 WeakPolarHBondContact OD1-CB 3.48Å; D424-T427 PolarHBondContact OD1-OG1 2.89Å; D424-T427 PolarHBondContact OD2-N 2.66Å; D424-T427 PolarHBondContact OD2-OG1 3.19Å; T427-A430 PolarHBondContact O-N 3.37Å; T427-L431 HydrophobicContact CG2-CD1 3.65Å; T427-L431 HydrophobicContact CG2-CG 4.15Å; T427-L431 WeakPolarHBondContact O-CB 3.49Å; T427-L431 VanDerWaalsContact O-CG 3.27Å; T427-L431 WeakPolarHBondContact O-CG 3.46Å; T427-L431 PolarHBondContact O-N 2.64Å; T427-L437 HydrophobicContact CG2-CD2 3.64Å |
| 428 | R | 91.6 | Very high | 90.8 | Very high | 86 Ų | 86 | 62.9 Ų | 62.9 | 33% | 0.325 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -59.4 | -49.1 | 176.6 | -70.8 | -173.6 | -63.4 | 142.7 | 1.5 | 111.6 | I30 E420 L423 D424 P425 A430 L431 F432 | I30-R428 HydrophobicContact CD1-CB 4.07Å; I30-R428 HydrophobicContact CD1-CG 4.19Å; I30-R428 WeakPolarHBondContact CD1-O 3.36Å; E420-R428 WeakPolarHBondContact O-CD 3.22Å; E420-R428 IonicContact OE1-NH1 3.94Å; L423-R428 HydrophobicContact CB-CG 3.43Å; L423-R428 VanDerWaalsContact CB-CG 3.43Å; L423-R428 HydrophobicContact CD1-CG 4.35Å; L423-R428 WeakPolarHBondContact O-CD 3.21Å; L423-R428 PolarHBondContact O-NE 3.32Å; D424-R428 WeakPolarHBondContact O-CG 3.34Å; D424-R428 PolarHBondContact O-N 3.17Å; P425-R428 PolarHBondContact O-N 2.8Å; R428-A430 VanDerWaalsContact C-N 3.34Å; R428-A430 PolarHBondContact O-N 2.67Å; R428-L431 PolarHBondContact O-N 3.38Å; R428-F432 WeakPolarHBondContact O-CB 3.33Å; R428-F432 PolarHBondContact O-N 3.25Å |
| 429 | E | 93 | Very high | 89.8 | Confident | 113 Ų | 113 | 68.8 Ų | 68.8 | 53% | 0.528 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.1 | -41.6 | 179.1 | -171.2 | -173.1 | 164.4 | 0 | 0 | 112 | P425 M426 N433 | P425-E429 WeakPolarHBondContact O-CB 3.16Å; P425-E429 PolarHBondContact O-N 3.14Å; M426-E429 PolarHBondContact O-N 3.2Å; E429-N433 WeakPolarHBondContact O-CB 3.38Å; E429-N433 PolarHBondContact O-N 3.11Å; E429-N433 VanDerWaalsContact O-N 3.12Å; E429-N433 PolarHBondContact O-ND2 3.16Å |
| 430 | A | 93.4 | Very high | 88 | Confident | 12 Ų | 12 | 69.3 Ų | 69.3 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -64.9 | -47.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | M426 T427 R428 N433 G434 R435 G436 | M426-A430 WeakPolarHBondContact O-CB 2.83Å; M426-A430 PolarHBondContact O-N 2.89Å; T427-A430 PolarHBondContact O-N 3.37Å; R428-A430 VanDerWaalsContact C-N 3.34Å; R428-A430 PolarHBondContact O-N 2.67Å; A430-N433 CarbonylContact O-C 3.48Å; A430-N433 PolarHBondContact O-N 3.22Å; A430-G434 PolarHBondContact O-N 3.15Å; A430-G434 VanDerWaalsContact O-N 3.1Å; A430-R435 HydrophobicContact CB-CB 4.35Å; A430-R435 PolarHBondContact O-N 3.02Å; A430-G436 VanDerWaalsContact CB-O 3.28Å; A430-G436 WeakPolarHBondContact CB-O 3.34Å |
| 431 | L | 92.8 | Very high | 85.7 | Confident | 4 Ų | 4 | 72.8 Ų | 72.8 | 2% | 0.021 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -66.7 | -42 | 178 | -68.1 | 176.7 | 0 | 0 | 0 | 112 | I30 L375 L412 L423 T427 R428 N433 G434 L437 | I30-L431 HydrophobicContact CD1-CB 3.9Å; L375-L431 HydrophobicContact CD1-CB 4.26Å; L375-L431 HydrophobicContact CD1-CD1 3.83Å; L375-L431 HydrophobicContact CD1-CD2 3.89Å; L375-L431 HydrophobicContact CD1-CG 4.2Å; L412-L431 HydrophobicContact CD2-CD2 3.99Å; L423-L431 HydrophobicContact CD1-CD1 4.04Å; T427-L431 HydrophobicContact CG2-CD1 3.65Å; T427-L431 HydrophobicContact CG2-CG 4.15Å; T427-L431 WeakPolarHBondContact O-CB 3.49Å; T427-L431 VanDerWaalsContact O-CG 3.27Å; T427-L431 WeakPolarHBondContact O-CG 3.46Å; T427-L431 PolarHBondContact O-N 2.64Å; R428-L431 PolarHBondContact O-N 3.38Å; L431-N433 PolarHBondContact O-N 3.17Å; L431-G434 PolarHBondContact O-N 3.46Å; L431-L437 HydrophobicContact CD1-CD2 4.07Å; L431-L437 HydrophobicContact CD2-CD2 3.94Å; L431-L437 HydrophobicContact CD2-CG 4.36Å; L431-L437 HydrophobicContact CG-CD2 4.19Å |
| 432 | F | 91.8 | Very high | 83.4 | Confident | 73 Ų | 73 | 76.6 Ų | 76.6 | 32% | 0.32 | 42% | 0.415 | S | S | . | . | H | α-helix | trans | -54.8 | -40.6 | 174.8 | 173.4 | -95.5 | 0 | 0 | 0 | 111.9 | K31 T32 A33 T36 R428 | K31-F432 WeakPolarHBondContact O-CD2 3.48Å; T32-F432 WeakPolarHBondContact CA-O 3.33Å; A33-F432 HydrophobicContact CB-CD1 4.14Å; A33-F432 HydrophobicContact CB-CE1 3.64Å; A33-F432 HydrophobicContact CB-CE2 4.08Å; A33-F432 HydrophobicContact CB-CZ 3.59Å; A33-F432 PolarHBondContact N-O 3.05Å; T36-F432 WeakPolarHBondContact OG1-CE2 3.36Å; R428-F432 WeakPolarHBondContact O-CB 3.33Å; R428-F432 PolarHBondContact O-N 3.25Å |
| 433 | N | 90.8 | Very high | 80.7 | Confident | 47 Ų | 47 | 77.5 Ų | 77.5 | 25% | 0.251 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -1.7 | 179.4 | -73.9 | -57.6 | 0 | 0 | 0 | 114.6 | E429 A430 L431 R435 | E429-N433 WeakPolarHBondContact O-CB 3.38Å; E429-N433 PolarHBondContact O-N 3.11Å; E429-N433 VanDerWaalsContact O-N 3.12Å; E429-N433 PolarHBondContact O-ND2 3.16Å; A430-N433 CarbonylContact O-C 3.48Å; A430-N433 PolarHBondContact O-N 3.22Å; L431-N433 PolarHBondContact O-N 3.17Å; N433-R435 VanDerWaalsContact C-N 3.32Å; N433-R435 HydrophobicContact CB-CG 4.11Å |
| 434 | G | 88.1 | Confident | 77.9 | Confident | 32 Ų | 32 | 85.2 Ų | 85.2 | 33% | 0.33 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 69.9 | 24.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | K251 A430 L431 G436 | K251-G434 WeakPolarHBondContact O-CA 3.46Å; A430-G434 PolarHBondContact O-N 3.15Å; A430-G434 VanDerWaalsContact O-N 3.1Å; L431-G434 PolarHBondContact O-N 3.46Å; G434-G436 PolarHBondContact O-N 3.21Å |
| 435 | R | 88.1 | Confident | 75.2 | Confident | 175 Ų | 175 | 88.4 Ų | 88.4 | 66% | 0.66 | 48% | 0.477 | S | S | * | . | trans | -81.6 | -1.9 | 178 | -63 | 180 | -178.6 | 160.4 | 2.2 | 113 | A430 N433 | A430-R435 HydrophobicContact CB-CB 4.35Å; A430-R435 PolarHBondContact O-N 3.02Å; N433-R435 VanDerWaalsContact C-N 3.32Å; N433-R435 HydrophobicContact CB-CG 4.11Å | ||
| 436 | G | 86.8 | Confident | 72.3 | Confident | 18 Ų | 18 | 89 Ų | 89 | 19% | 0.186 | 48% | 0.479 | C | S | . | . | trans | 76.1 | -161.9 | -169.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A430 G434 | A430-G436 VanDerWaalsContact CB-O 3.28Å; A430-G436 WeakPolarHBondContact CB-O 3.34Å; G434-G436 PolarHBondContact O-N 3.21Å | ||
| 437 | L | 87.5 | Confident | 69.3 | Low | 39 Ų | 39 | 90.8 Ų | 90.8 | 20% | 0.204 | 49% | 0.491 | C | S | . | . | S | Bend | trans | -81.9 | 140.5 | 175.7 | -66.5 | 168.3 | 0 | 0 | 0 | 110.1 | D409 R411 L412 T427 L431 | D409-L437 HydrophobicContact CB-CD1 3.36Å; D409-L437 WeakPolarHBondContact OD2-CD1 3.39Å; R411-L437 HydrophobicContact CB-CD1 4.4Å; R411-L437 HydrophobicContact CB-CD2 4.2Å; L412-L437 HydrophobicContact CD1-CD1 4.31Å; L412-L437 HydrophobicContact CD2-CD1 4.08Å; L412-L437 HydrophobicContact CD2-CG 3.8Å; L412-L437 HydrophobicContact CG-CD1 3.89Å; L412-L437 HydrophobicContact CG-CG 4.19Å; T427-L437 HydrophobicContact CG2-CD2 3.64Å; L431-L437 HydrophobicContact CD1-CD2 4.07Å; L431-L437 HydrophobicContact CD2-CD2 3.94Å; L431-L437 HydrophobicContact CD2-CG 4.36Å; L431-L437 HydrophobicContact CG-CD2 4.19Å |
| 438 | P | 83.5 | Confident | 66.2 | Low | 37 Ų | 37 | 96.6 Ų | 96.6 | 24% | 0.24 | 52% | 0.522 | C | S | . | . | trans | -59.1 | 146.7 | 172.3 | 25.2 | -31.7 | 0 | 0 | 0 | 109.8 | M426 G440 | M426-P438 HydrophobicContact CE-CB 3.88Å; M426-P438 HydrophobicContact CG-CB 4.36Å; M426-P438 HydrophobicContact CG-CG 4.35Å; M426-P438 HydrophobicContact SD-CB 4.17Å; M426-P438 HydrophobicContact SD-CG 4.49Å; P438-G440 VanDerWaalsContact C-N 3.26Å; P438-G440 PolarHBondContact O-N 3.32Å | ||
| 439 | S | 72.6 | Confident | 63.3 | Low | 126 Ų | 126 | 105 Ų | 105 | 88% | 0.881 | 56% | 0.564 | S | S | * | * | trans | -65.4 | 88.9 | 171.3 | 52 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 440 | G | 54.6 | Low | 61.8 | Low | 58 Ų | 58 | 104.6 Ų | 104.6 | 60% | 0.598 | 57% | 0.566 | S | S | * | * | trans | -71 | 138.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | P438 K442 | P438-G440 VanDerWaalsContact C-N 3.26Å; P438-G440 PolarHBondContact O-N 3.32Å; G440-K442 PolarHBondContact O-N 2.8Å | ||
| 441 | N | 41.5 | Very low | 60.1 | Low | 155 Ų | 155 | 109.4 Ų | 109.4 | 83% | 0.829 | 59% | 0.59 | S | S | * | * | trans | -48.6 | 125.8 | 149 | -85.9 | -19.5 | 0 | 0 | 0 | 106.6 | D443 | N441-D443 PolarHBondContact O-N 2.83Š| ||
| 442 | K | 42.5 | Very low | 58.3 | Low | 200 Ų | 200 | 115.3 Ų | 115.3 | 87% | 0.87 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | 9.6 | -170.5 | -84.8 | -177.9 | 170.3 | -177.2 | 0 | 115.7 | G440 | G440-K442 PolarHBondContact O-N 2.8Š|
| 443 | D | 34.7 | Very low | 56.3 | Low | 145 Ų | 145 | 117.8 Ų | 117.8 | 78% | 0.775 | 64% | 0.64 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.3 | 6.1 | -159.5 | -61.9 | -29.6 | 0 | 0 | 0 | 115.8 | N441 | N441-D443 PolarHBondContact O-N 2.83Š|
| 444 | E | 32.6 | Very low | 54.2 | Low | 178 Ų | 178 | 122.2 Ų | 122.2 | 83% | 0.832 | 66% | 0.664 | S | S | * | * | trans | -113.5 | 18.7 | -179.1 | -76 | -168.4 | 169.9 | 0 | 0 | 116 | V446 | E444-V446 PolarHBondContact O-N 2.9Š| ||
| 445 | V | 35.1 | Very low | 51.9 | Low | 138 Ų | 138 | 128.2 Ų | 128.2 | 84% | 0.836 | 69% | 0.686 | S | S | * | * | trans | -74.7 | 86.8 | 162.7 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | N447 | V445-N447 PolarHBondContact O-N 3.18Š| ||
| 446 | V | 32.7 | Very low | 49.3 | Very low | 103 Ų | 103 | 124.9 Ų | 124.9 | 62% | 0.624 | 69% | 0.688 | S | S | * | * | trans | -45.9 | 122.1 | 167.7 | 174.1 | 0 | 0 | 0 | 0 | 109.7 | E444 N448 | E444-V446 PolarHBondContact O-N 2.9Å; V446-N448 PolarHBondContact O-N 2.8Å | ||
| 447 | N | 28.2 | Very low | 46.5 | Very low | 163 Ų | 163 | 133.1 Ų | 133.1 | 87% | 0.872 | 73% | 0.727 | S | S | * | * | trans | -50.4 | 97.7 | 160.6 | -82 | -36.8 | 0 | 0 | 0 | 109.4 | V445 | V445-N447 PolarHBondContact O-N 3.18Š| ||
| 448 | N | 29.1 | Very low | 43 | Very low | 127 Ų | 127 | 140.9 Ų | 140.9 | 68% | 0.679 | 77% | 0.77 | S | S | * | * | trans | -136.7 | 101.8 | 165.2 | -92.9 | -22 | 0 | 0 | 0 | 108.9 | V446 | V446-N448 PolarHBondContact O-N 2.8Š| ||
| 449 | H | 29.4 | Very low | 39.4 | Very low | 261 Ų | 261 | 150.4 Ų | 150.4 | 100% | 1.208 | 82% | 0.819 | S | S | * | * | trans | 85.7 | 0 | 161.3 | -61.8 | 4 | 0 | 0 | 0 | 117.4 |
Retrieved 449 of 449 residues in 299.5 ms
(Link to these results)