| 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 | 39.7 | Very low | 60.6 | Low | 237 Ų | 237 | 133.7 Ų | 133.7 | 100% | 1.167 | 73% | 0.728 | S | S | * | * | 0 | 110.8 | 0 | -64.6 | 173 | 178 | 0 | 0 | 107.3 | |||||
| 2 | P | 49.3 | Very low | 61.7 | Low | 131 Ų | 131 | 131 Ų | 131 | 85% | 0.851 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -78 | 128.1 | -175.5 | 30.2 | -30 | 0 | 0 | 0 | 110.2 | L4 | P2-L4 PolarHBondContact O-N 3.35Š|
| 3 | A | 52.3 | Low | 62.2 | Low | 100 Ų | 100 | 128.7 Ų | 128.7 | 83% | 0.826 | 70% | 0.698 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 118 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.5 | R5 | A3-R5 PolarHBondContact O-N 2.71Š|
| 4 | L | 52.2 | Low | 62.3 | Low | 152 Ų | 152 | 123.3 Ų | 123.3 | 80% | 0.796 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 124.1 | 173.2 | -130.2 | 77.5 | 0 | 0 | 0 | 108.9 | P2 | P2-L4 PolarHBondContact O-N 3.35Š|
| 5 | R | 61.9 | Low | 62.4 | Low | 212 Ų | 212 | 121.3 Ų | 121.3 | 80% | 0.8 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -64.7 | 142.2 | -172.4 | -79.4 | 175.3 | 167.1 | -173.3 | -4.3 | 112.4 | A3 A7 L8 | A3-R5 PolarHBondContact O-N 2.71Å; R5-A7 PolarHBondContact O-N 3.45Å; R5-A7 VanDerWaalsContact O-N 3.11Å; R5-L8 PolarHBondContact O-N 3.39Å |
| 6 | P | 64.9 | Low | 62.6 | Low | 89 Ų | 89 | 125.8 Ų | 125.8 | 58% | 0.578 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -60.6 | -23.8 | -175.1 | 21.3 | -32.2 | 0 | 0 | 0 | 114.9 | L8 L9 W10 | P6-L8 VanDerWaalsContact C-N 3.3Å; P6-L8 PolarHBondContact O-N 3.03Å; P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3.26Å; P6-L9 VanDerWaalsContact O-N 3.13Å; P6-W10 VanDerWaalsContact O-CD1 3.23Å; P6-W10 PolarHBondContact O-N 3.04Å |
| 7 | A | 66.8 | Low | 62.3 | Low | 76 Ų | 76 | 125.8 Ų | 125.8 | 63% | 0.628 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -61.8 | -31.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | R5 L9 W10 A11 | R5-A7 PolarHBondContact O-N 3.45Å; R5-A7 VanDerWaalsContact O-N 3.11Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-W10 PolarHBondContact O-N 3.29Å; A7-A11 PolarHBondContact O-N 3.4Å |
| 8 | L | 68.1 | Low | 62.1 | Low | 116 Ų | 116 | 124.7 Ų | 124.7 | 61% | 0.607 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -69.6 | -33.8 | 177.5 | -126.1 | 87.2 | 0 | 0 | 0 | 112 | R5 P6 L12 | R5-L8 PolarHBondContact O-N 3.39Å; P6-L8 VanDerWaalsContact C-N 3.3Å; P6-L8 PolarHBondContact O-N 3.03Å; L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.08Å |
| 9 | L | 71.2 | Confident | 61.7 | Low | 107 Ų | 107 | 129.6 Ų | 129.6 | 56% | 0.56 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -66.1 | -38.1 | 177.6 | -82.6 | 144.7 | 0 | 0 | 0 | 111.6 | P6 A7 L13 | P6-L9 WeakPolarHBondContact O-CB 3.37Å; P6-L9 PolarHBondContact O-N 3.26Å; P6-L9 VanDerWaalsContact O-N 3.13Å; A7-L9 VanDerWaalsContact C-N 3.34Å; L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.17Å; L9-L13 PolarHBondContact O-N 3.06Å |
| 10 | W | 68.6 | Low | 61.3 | Low | 196 Ų | 196 | 126.6 Ų | 126.6 | 74% | 0.742 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -71.1 | -38.6 | 179.1 | -74 | 65 | 0 | 0 | 0 | 112.4 | P6 A7 L13 A14 | P6-W10 VanDerWaalsContact O-CD1 3.23Å; P6-W10 PolarHBondContact O-N 3.04Å; A7-W10 PolarHBondContact O-N 3.29Å; W10-L13 PolarHBondContact O-N 3.48Å; W10-A14 WeakPolarHBondContact O-CB 3.49Å; W10-A14 PolarHBondContact O-N 3.31Å |
| 11 | A | 71.6 | Confident | 60.8 | Low | 55 Ų | 55 | 124.1 Ų | 124.1 | 46% | 0.455 | 67% | 0.672 | S | S | . | * | H | α-helix | trans | -66.2 | -41.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | A7 A14 L15 | A7-A11 PolarHBondContact O-N 3.4Å; A11-A14 PolarHBondContact O-N 3.04Å; A11-L15 WeakPolarHBondContact O-CB 3.39Å; A11-L15 WeakPolarHBondContact O-CD1 3.23Å; A11-L15 PolarHBondContact O-N 2.88Å |
| 12 | L | 73.7 | Confident | 61.6 | Low | 101 Ų | 101 | 117 Ų | 117 | 53% | 0.529 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -66.5 | -39.9 | 175.5 | -72.3 | 170.2 | 0 | 0 | 0 | 112.2 | L8 L15 W16 | L8-L12 WeakPolarHBondContact O-CB 3.45Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.42Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L12-L15 PolarHBondContact O-N 3.26Å; L12-W16 WeakPolarHBondContact O-CB 3.03Å; L12-W16 PolarHBondContact O-N 2.73Å |
| 13 | L | 68.9 | Low | 62 | Low | 101 Ų | 101 | 115.6 Ų | 115.6 | 53% | 0.529 | 64% | 0.643 | S | S | . | * | H | α-helix | trans | -63.8 | -41.7 | 174 | -82.9 | 162.1 | 0 | 0 | 0 | 112.1 | L9 W10 W16 L17 | L9-L13 WeakPolarHBondContact O-CB 3.34Å; L9-L13 WeakPolarHBondContact O-CD1 3.29Å; L9-L13 WeakPolarHBondContact O-CG 3.17Å; L9-L13 PolarHBondContact O-N 3.06Å; W10-L13 PolarHBondContact O-N 3.48Å; L13-W16 PolarHBondContact O-N 3.14Å; L13-L17 WeakPolarHBondContact O-CB 2.98Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.2Å |
| 14 | A | 63.7 | Low | 62.7 | Low | 53 Ų | 53 | 118.8 Ų | 118.8 | 44% | 0.438 | 64% | 0.641 | S | S | . | * | H | α-helix | trans | -66.8 | -40.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | W10 A11 L17 C18 | W10-A14 WeakPolarHBondContact O-CB 3.49Å; W10-A14 PolarHBondContact O-N 3.31Å; A11-A14 PolarHBondContact O-N 3.04Å; A14-L17 PolarHBondContact O-N 2.99Å; A14-C18 WeakPolarHBondContact O-CB 3.31Å; A14-C18 PolarHBondContact O-N 3.38Å; A14-C18 PolarHBondContact O-SG 3.15Å |
| 15 | L | 63.9 | Low | 63.9 | Low | 93 Ų | 93 | 114.4 Ų | 114.4 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -62.8 | -40.4 | 172.5 | -87.9 | 152.4 | 0 | 0 | 0 | 112.1 | A11 L12 C18 W19 | A11-L15 WeakPolarHBondContact O-CB 3.39Å; A11-L15 WeakPolarHBondContact O-CD1 3.23Å; A11-L15 PolarHBondContact O-N 2.88Å; L12-L15 PolarHBondContact O-N 3.26Å; L15-C18 PolarHBondContact O-N 3.02Å; L15-W19 PolarHBondContact O-N 3.22Å |
| 16 | W | 65.2 | Low | 65.1 | Low | 194 Ų | 194 | 105 Ų | 105 | 74% | 0.735 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -64.7 | -43.5 | 173.3 | -106.3 | 60.2 | 0 | 0 | 0 | 112.7 | L12 L13 C18 W19 A20 | L12-W16 WeakPolarHBondContact O-CB 3.03Å; L12-W16 PolarHBondContact O-N 2.73Å; L13-W16 PolarHBondContact O-N 3.14Å; W16-C18 VanDerWaalsContact C-N 3.31Å; W16-C18 PolarHBondContact O-N 3.08Å; W16-W19 PolarHBondContact O-N 3.19Å; W16-A20 WeakPolarHBondContact O-CB 3.17Å; W16-A20 PolarHBondContact O-N 3.39Å |
| 17 | L | 56.7 | Low | 66.3 | Low | 126 Ų | 126 | 106.1 Ų | 106.1 | 66% | 0.66 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67 | -32.2 | 176.8 | -73.6 | 165.9 | 0 | 0 | 0 | 112 | L13 A14 | L13-L17 WeakPolarHBondContact O-CB 2.98Å; L13-L17 VanDerWaalsContact O-CG 3.24Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 3.2Å; A14-L17 PolarHBondContact O-N 2.99Å |
| 18 | C | 58.8 | Low | 67.5 | Low | 105 Ų | 105 | 103.4 Ų | 103.4 | 71% | 0.709 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -74.4 | -26.5 | 173.3 | -77.8 | 0 | 0 | 0 | 0 | 113.6 | A14 L15 W16 | A14-C18 WeakPolarHBondContact O-CB 3.31Å; A14-C18 PolarHBondContact O-N 3.38Å; A14-C18 PolarHBondContact O-SG 3.15Å; L15-C18 PolarHBondContact O-N 3.02Å; W16-C18 VanDerWaalsContact C-N 3.31Å; W16-C18 PolarHBondContact O-N 3.08Å |
| 19 | W | 54 | Low | 68.6 | Low | 218 Ų | 218 | 107.5 Ų | 107.5 | 83% | 0.826 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -88.4 | -17.6 | 177.3 | -75 | 7.2 | 0 | 0 | 0 | 113.9 | L15 W16 | L15-W19 PolarHBondContact O-N 3.22Å; W16-W19 PolarHBondContact O-N 3.19Å |
| 20 | A | 53.7 | Low | 69.7 | Low | 69 Ų | 69 | 106 Ų | 106 | 57% | 0.57 | 57% | 0.566 | S | S | * | * | trans | -116.9 | 20.3 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | W16 P22 | W16-A20 WeakPolarHBondContact O-CB 3.17Å; W16-A20 PolarHBondContact O-N 3.39Å; A20-P22 WeakPolarHBondContact O-CD 3.49Å | ||
| 21 | A | 51.9 | Low | 70.8 | Confident | 76 Ų | 76 | 98.5 Ų | 98.5 | 63% | 0.628 | 55% | 0.549 | S | S | * | . | S | Bend | trans | -76.1 | 102.2 | 156.9 | 0 | 0 | 0 | 0 | 0 | 106.3 | A23 | A21-A23 PolarHBondContact O-N 3.25Š|
| 22 | P | 55.8 | Low | 71.9 | Confident | 88 Ų | 88 | 103.3 Ų | 103.3 | 57% | 0.571 | 56% | 0.557 | S | S | * | * | trans | -55.1 | 122.8 | 172.2 | 23.1 | -31.3 | 0 | 0 | 0 | 106.6 | A20 H24 | A20-P22 WeakPolarHBondContact O-CD 3.49Å; P22-H24 PolarHBondContact O-N 3.09Å; P22-H24 PolarHBondContact O-ND1 2.87Å | ||
| 23 | A | 58.9 | Low | 72.9 | Confident | 101 Ų | 101 | 102.6 Ų | 102.6 | 84% | 0.835 | 55% | 0.551 | S | S | * | * | trans | -57.5 | 100.5 | 162.3 | 0 | 0 | 0 | 0 | 0 | 105 | A21 A25 | A21-A23 PolarHBondContact O-N 3.25Å; A23-A25 PolarHBondContact O-N 3.19Å | ||
| 24 | H | 66.6 | Low | 74.1 | Confident | 167 Ų | 167 | 100.1 Ų | 100.1 | 77% | 0.773 | 54% | 0.54 | S | S | * | . | trans | -66.4 | 106.6 | -179.9 | -70.3 | 71.6 | 0 | 0 | 0 | 105.3 | P22 | P22-H24 PolarHBondContact O-N 3.09Å; P22-H24 PolarHBondContact O-ND1 2.87Å | ||
| 25 | A | 77.1 | Confident | 75.7 | Confident | 60 Ų | 60 | 98.3 Ų | 98.3 | 50% | 0.496 | 52% | 0.524 | S | S | . | . | trans | -57.1 | 147.4 | 169.4 | 0 | 0 | 0 | 0 | 0 | 108.7 | A23 Q27 T48 | A23-A25 PolarHBondContact O-N 3.19Å; A25-Q27 PolarHBondContact O-N 3.04Å; A25-T48 HydrophobicContact CB-CG2 3.43Å; A25-T48 VanDerWaalsContact CB-CG2 3.43Å | ||
| 26 | L | 86.9 | Confident | 77.2 | Confident | 15 Ų | 15 | 97 Ų | 97 | 8% | 0.079 | 52% | 0.52 | C | S | . | . | trans | -54.9 | 131.5 | 178.9 | -173.6 | 153.4 | 0 | 0 | 0 | 109.4 | P34 T48 G49 Y61 | L26-P34 HydrophobicContact CD1-CG 4.34Å; L26-P34 HydrophobicContact CD2-CG 4.13Å; L26-P34 HydrophobicContact CG-CG 4Å; L26-T48 CarbonylContact O-C 3.56Å; L26-G49 VanDerWaalsContact CD2-C 3.46Å; L26-G49 WeakPolarHBondContact CD2-O 3.46Å; L26-G49 PolarHBondContact O-N 2.95Å; L26-Y61 HydrophobicContact CD1-CD1 3.57Å; L26-Y61 HydrophobicContact CD1-CE1 3.23Å; L26-Y61 HydrophobicContact CD1-CE2 4.41Å; L26-Y61 HydrophobicContact CD1-CG 4.3Å; L26-Y61 HydrophobicContact CG-CD1 4.46Å; L26-Y61 HydrophobicContact CG-CE1 3.79Å | ||
| 27 | Q | 90.3 | Very high | 78.6 | Confident | 111 Ų | 111 | 91.2 Ų | 91.2 | 52% | 0.519 | 50% | 0.504 | S | S | . | . | trans | -123.9 | 126.5 | 179.3 | -170 | 64.1 | 27.8 | 0 | 0 | 109.3 | A25 R29 P34 G47 | A25-Q27 PolarHBondContact O-N 3.04Å; Q27-R29 PolarHBondContact O-N 3.25Å; Q27-P34 WeakPolarHBondContact O-CD 3.27Å; Q27-G47 PolarHBondContact NE2-O 2.98Å; Q27-G47 PolarHBondContact OE1-O 3.31Å | ||
| 28 | C | 92.2 | Very high | 80.5 | Confident | 20 Ų | 20 | 94.4 Ų | 94.4 | 14% | 0.135 | 51% | 0.512 | C | S | . | . | trans | -72.3 | 127.5 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 110.2 | C41 T43 | C28-C41 WeakPolarHBondContact CA-SG 3.45Å; C28-C41 HydrophobicContact CB-CB 3.76Å; C28-C41 WeakPolarHBondContact CB-SG 3.38Å; C28-C41 VanDerWaalsContact SG-C 3.52Å; C28-C41 WeakPolarHBondContact SG-CB 3.29Å; C28-C41 CovalentContact SG-SG 2.03Å; C28-C41 PolarHBondContact SG-SG 3.22Å; C28-T43 HydrophobicContact CB-CG2 3.7Å | ||
| 29 | R | 91.9 | Very high | 82.3 | Confident | 201 Ų | 201 | 89.5 Ų | 89.5 | 76% | 0.758 | 48% | 0.479 | S | S | * | . | S | Bend | trans | -86.6 | -39.3 | 171.9 | 178.2 | 173.5 | 168.8 | -152.2 | 4.3 | 110.8 | Q27 E33 | Q27-R29 PolarHBondContact O-N 3.25Å; R29-E33 HydrophobicContact CB-CB 4.18Å; R29-E33 WeakPolarHBondContact CD-OE2 3.19Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 PolarHBondContact N-O 2.95Å; R29-E33 IonicContact NE-OE2 4Å; R29-E33 IonicContact NH1-OE1 2.73Å; R29-E33 IonicContact NH1-OE2 3.72Å; R29-E33 PolarHBondContact NH1-OE2 3.27Å |
| 30 | D | 92.9 | Very high | 84.3 | Confident | 77 Ų | 77 | 84 Ų | 84 | 41% | 0.412 | 46% | 0.464 | S | S | . | . | S | Bend | trans | -143.9 | -162.6 | 171.1 | 64.5 | 35 | 0 | 0 | 0 | 109.7 | Y32 E33 | D30-Y32 PolarHBondContact O-N 2.79Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.13Å; D30-Y32 PolarHBondContact OD1-N 3.49Å; D30-E33 PolarHBondContact OD1-N 3.43Å |
| 31 | G | 93 | Very high | 86.4 | Confident | 38 Ų | 38 | 81.2 Ų | 81.2 | 39% | 0.392 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -70.3 | -7.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | M40 C41 | G31-M40 WeakPolarHBondContact O-CA 3.1Å; G31-M40 WeakPolarHBondContact O-CG 3.03Å; G31-C41 PolarHBondContact O-N 3.25Å |
| 32 | Y | 95 | Very high | 88.4 | Confident | 156 Ų | 156 | 79.4 Ų | 79.4 | 61% | 0.612 | 42% | 0.421 | S | S | * | . | S | Bend | trans | -129.4 | -48.7 | -176 | -59.9 | -80.7 | 0 | 0 | 0 | 112 | D30 C35 | D30-Y32 PolarHBondContact O-N 2.79Å; D30-Y32 WeakPolarHBondContact OD1-CA 3.13Å; D30-Y32 PolarHBondContact OD1-N 3.49Å; Y32-C35 VanDerWaalsContact O-CA 3.32Å; Y32-C35 WeakPolarHBondContact O-CA 3.42Å; Y32-C35 WeakPolarHBondContact O-CB 3.45Å; Y32-C35 PolarHBondContact O-N 2.03Å; Y32-C35 PolarHBondContact O-SG 2.86Å; Y32-C35 VanDerWaalsContact O-SG 3.36Å |
| 33 | E | 94.2 | Very high | 90.2 | Very high | 86 Ų | 86 | 79.5 Ų | 79.5 | 40% | 0.402 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | 134.8 | 178.8 | -69.6 | -169.6 | 171.3 | 0 | 0 | 111.8 | R29 D30 | R29-E33 HydrophobicContact CB-CB 4.18Å; R29-E33 WeakPolarHBondContact CD-OE2 3.19Å; R29-E33 IonicContact CZ-OE2 2.75Å; R29-E33 PolarHBondContact N-O 2.95Å; R29-E33 IonicContact NE-OE2 4Å; R29-E33 IonicContact NH1-OE1 2.73Å; R29-E33 IonicContact NH1-OE2 3.72Å; R29-E33 PolarHBondContact NH1-OE2 3.27Å; D30-E33 PolarHBondContact OD1-N 3.43Å |
| 34 | P | 94.2 | Very high | 91.8 | Very high | 48 Ų | 48 | 80.6 Ų | 80.6 | 31% | 0.312 | 40% | 0.404 | S | S | . | . | T | Hydrogen-bonded Turn | cis | -94.6 | 12 | 14.2 | 36.8 | -37.1 | 0 | 0 | 0 | 115.4 | L26 Q27 Y61 | L26-P34 HydrophobicContact CD1-CG 4.34Å; L26-P34 HydrophobicContact CD2-CG 4.13Å; L26-P34 HydrophobicContact CG-CG 4Å; Q27-P34 WeakPolarHBondContact O-CD 3.27Å; P34-Y61 HydrophobicContact CB-CD1 4.07Å; P34-Y61 HydrophobicContact CB-CE1 4.05Å; P34-Y61 HydrophobicContact CG-CD1 3.81Å; P34-Y61 HydrophobicContact CG-CE1 3.61Å |
| 35 | C | 96.3 | Very high | 92.9 | Very high | 15 Ų | 15 | 82.7 Ų | 82.7 | 10% | 0.101 | 41% | 0.413 | C | S | . | . | trans | -67 | 143.5 | -179.1 | -43.1 | 0 | 0 | 0 | 0 | 111.2 | Y32 C41 C51 | Y32-C35 VanDerWaalsContact O-CA 3.32Å; Y32-C35 WeakPolarHBondContact O-CA 3.42Å; Y32-C35 WeakPolarHBondContact O-CB 3.45Å; Y32-C35 PolarHBondContact O-N 2.03Å; Y32-C35 PolarHBondContact O-SG 2.86Å; Y32-C35 VanDerWaalsContact O-SG 3.36Å; C35-C41 VanDerWaalsContact SG-CA 3.58Å; C35-C41 VanDerWaalsContact SG-CB 3.59Å; C35-C51 WeakPolarHBondContact CA-SG 3.32Å; C35-C51 HydrophobicContact CB-CB 3.69Å; C35-C51 WeakPolarHBondContact CB-SG 3.03Å; C35-C51 WeakPolarHBondContact SG-CA 3.04Å; C35-C51 WeakPolarHBondContact SG-CB 3.48Å; C35-C51 CovalentContact SG-SG 2.02Å; C35-C51 PolarHBondContact SG-SG 3.44Å | ||
| 36 | V | 96.1 | Very high | 93.4 | Very high | 67 Ų | 67 | 84.3 Ų | 84.3 | 41% | 0.406 | 42% | 0.421 | S | S | . | . | trans | -107.3 | 176.9 | 176.8 | -60.3 | 0 | 0 | 0 | 0 | 110.8 | K38 G39 Y61 Q63 | V36-K38 PolarHBondContact O-N 2.81Å; V36-K38 VanDerWaalsContact O-N 3.16Å; V36-G39 PolarHBondContact O-N 3.37Å; V36-Y61 VanDerWaalsContact CG2-O 3.29Å; V36-Y61 WeakPolarHBondContact CG2-O 3.44Å; V36-Y61 PolarHBondContact N-O 3.24Å; V36-Q63 VanDerWaalsContact CG2-CA 3.46Å; V36-Q63 HydrophobicContact CG2-CB 3.8Å | ||
| 37 | N | 95.4 | Very high | 93.3 | Very high | 72 Ų | 72 | 85.2 Ų | 85.2 | 39% | 0.385 | 43% | 0.434 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.6 | 36.7 | 177.1 | -61.8 | -46.1 | 0 | 0 | 0 | 114.5 | G39 P54 F57 C62 | N37-G39 PolarHBondContact O-N 3.02Å; N37-P54 WeakPolarHBondContact O-CG 3.45Å; N37-F57 HydrophobicContact CB-CD1 3.49Å; N37-F57 VanDerWaalsContact CB-CD1 3.49Å; N37-F57 HydrophobicContact CB-CD2 4.35Å; N37-F57 HydrophobicContact CB-CE1 3.42Å; N37-F57 VanDerWaalsContact CB-CE1 3.42Å; N37-F57 HydrophobicContact CB-CE2 4.28Å; N37-F57 HydrophobicContact CB-CG 3.96Å; N37-F57 HydrophobicContact CB-CZ 3.83Å; N37-F57 VanDerWaalsContact ND2-CD1 3.35Å; N37-F57 WeakPolarHBondContact ND2-CD1 3.24Å; N37-F57 VanDerWaalsContact ND2-CE1 3.32Å; N37-F57 WeakPolarHBondContact ND2-CE1 3.41Å; N37-C62 PolarHBondContact ND2-O 3.13Å |
| 38 | K | 95.3 | Very high | 93.3 | Very high | 193 Ų | 193 | 81.8 Ų | 81.8 | 84% | 0.839 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65 | 23.4 | -176.4 | -48.7 | 173.8 | 179.6 | 176.7 | 0 | 114 | V36 | V36-K38 PolarHBondContact O-N 2.81Å; V36-K38 VanDerWaalsContact O-N 3.16Å |
| 39 | G | 96.1 | Very high | 93.3 | Very high | 1 Ų | 1 | 81.3 Ų | 81.3 | 1% | 0.01 | 42% | 0.419 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 147.4 | 167.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | V36 N37 K52 | V36-G39 PolarHBondContact O-N 3.37Å; N37-G39 PolarHBondContact O-N 3.02Å; G39-K52 WeakPolarHBondContact CA-O 3Å |
| 40 | M | 97.2 | Very high | 93.4 | Very high | 104 Ų | 104 | 76.2 Ų | 76.2 | 51% | 0.512 | 40% | 0.4 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 127.5 | 176.6 | 179.4 | -177.5 | 162.3 | 0 | 0 | 109.1 | G31 V42 K52 | G31-M40 WeakPolarHBondContact O-CA 3.1Å; G31-M40 WeakPolarHBondContact O-CG 3.03Å; M40-V42 HydrophobicContact CE-CG2 4.22Å; M40-V42 HydrophobicContact CG-CG2 4.41Å; M40-K52 PolarHBondContact N-O 3.07Å; M40-K52 PolarHBondContact O-N 2.97Å |
| 41 | C | 96.7 | Very high | 93.5 | Very high | 9 Ų | 9 | 73.1 Ų | 73.1 | 6% | 0.061 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 123.9 | 176.1 | -157 | 0 | 0 | 0 | 0 | 110 | C28 G31 C35 | C28-C41 WeakPolarHBondContact CA-SG 3.45Å; C28-C41 HydrophobicContact CB-CB 3.76Å; C28-C41 WeakPolarHBondContact CB-SG 3.38Å; C28-C41 VanDerWaalsContact SG-C 3.52Å; C28-C41 WeakPolarHBondContact SG-CB 3.29Å; C28-C41 CovalentContact SG-SG 2.03Å; C28-C41 PolarHBondContact SG-SG 3.22Å; G31-C41 PolarHBondContact O-N 3.25Å; C35-C41 VanDerWaalsContact SG-CA 3.58Å; C35-C41 VanDerWaalsContact SG-CB 3.59Å |
| 42 | V | 95.6 | Very high | 93.7 | Very high | 39 Ų | 39 | 77.5 Ų | 77.5 | 24% | 0.236 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.6 | -179.4 | -177.2 | 0 | 0 | 0 | 0 | 108.6 | M40 G49 Y50 K52 | M40-V42 HydrophobicContact CE-CG2 4.22Å; M40-V42 HydrophobicContact CG-CG2 4.41Å; V42-G49 CarbonylContact O-C 3.54Å; V42-G49 WeakPolarHBondContact O-CA 3.5Å; V42-Y50 HydrophobicContact CB-CD1 4.02Å; V42-Y50 HydrophobicContact CB-CE1 3.54Å; V42-Y50 HydrophobicContact CG1-CD1 4.41Å; V42-Y50 HydrophobicContact CG1-CE1 3.61Å; V42-Y50 HydrophobicContact CG2-CE1 4.41Å; V42-Y50 PolarHBondContact N-O 3.05Å; V42-Y50 PolarHBondContact O-N 3.36Å; V42-K52 HydrophobicContact CG2-CB 4.32Å |
| 43 | T | 93.4 | Very high | 93.7 | Very high | 90 Ų | 90 | 72 Ų | 72 | 55% | 0.552 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 139.1 | 179 | 51.6 | 0 | 0 | 0 | 0 | 111.8 | C28 T48 | C28-T43 HydrophobicContact CB-CG2 3.7Å; T43-T48 CarbonylContact C-O 3.54Å; T43-T48 WeakPolarHBondContact CA-O 3.02Å |
| 44 | Y | 91.8 | Very high | 93.7 | Very high | 123 Ų | 123 | 70.2 Ų | 70.2 | 48% | 0.482 | 37% | 0.372 | S | S | . | . | trans | -82.5 | 161.8 | 166.8 | -67.1 | -74.5 | 0 | 0 | 0 | 110.8 | S46 G47 T48 Y50 | Y44-S46 WeakPolarHBondContact CB-OG 3.01Å; Y44-S46 PolarHBondContact O-N 3.41Å; Y44-S46 VanDerWaalsContact O-N 3.15Å; Y44-G47 PolarHBondContact O-N 3.41Å; Y44-T48 WeakPolarHBondContact CB-O 3.38Å; Y44-T48 PolarHBondContact N-O 3.39Å; Y44-Y50 HydrophobicContact CD2-CD1 4.25Å; Y44-Y50 HydrophobicContact CE1-CD1 4.06Å; Y44-Y50 HydrophobicContact CE1-CE1 4.19Å; Y44-Y50 AromaticContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CE1 4.41Å; Y44-Y50 HydrophobicContact CE2-CG 4.12Å; Y44-Y50 AromaticContact CZ-CD1 3.38Å; Y44-Y50 AromaticContact CZ-CE1 3.94Å; Y44-Y50 WeakPolarHBondContact OH-CD1 3.28Å | ||
| 45 | H | 88.7 | Confident | 93.7 | Very high | 211 Ų | 211 | 76.8 Ų | 76.8 | 98% | 0.977 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.4 | 173.6 | -68.8 | -62.5 | 0 | 0 | 0 | 113.9 | G47 | H45-G47 PolarHBondContact O-N 2.05Š|
| 46 | S | 87.6 | Confident | 93.5 | Very high | 94 Ų | 94 | 76.5 Ų | 76.5 | 66% | 0.657 | 40% | 0.399 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -5.6 | 175.8 | 46.5 | 0 | 0 | 0 | 0 | 114.2 | Y44 T48 | Y44-S46 WeakPolarHBondContact CB-OG 3.01Å; Y44-S46 PolarHBondContact O-N 3.41Å; Y44-S46 VanDerWaalsContact O-N 3.15Å; S46-T48 VanDerWaalsContact C-N 3.33Å; S46-T48 PolarHBondContact OG-OG1 3.44Å |
| 47 | G | 85.6 | Confident | 93.5 | Very high | 34 Ų | 34 | 75.3 Ų | 75.3 | 35% | 0.351 | 39% | 0.388 | S | S | . | . | S | Bend | trans | 93.9 | -27.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q27 Y44 H45 | Q27-G47 PolarHBondContact NE2-O 2.98Å; Q27-G47 PolarHBondContact OE1-O 3.31Å; Y44-G47 PolarHBondContact O-N 3.41Å; H45-G47 PolarHBondContact O-N 2.05Å |
| 48 | T | 90.3 | Very high | 93.4 | Very high | 40 Ų | 40 | 73.7 Ų | 73.7 | 25% | 0.245 | 38% | 0.379 | C | S | . | . | trans | -64.7 | 161.3 | 174.6 | 58.5 | 0 | 0 | 0 | 0 | 111.5 | A25 L26 T43 Y44 S46 | A25-T48 HydrophobicContact CB-CG2 3.43Å; A25-T48 VanDerWaalsContact CB-CG2 3.43Å; L26-T48 CarbonylContact O-C 3.56Å; T43-T48 CarbonylContact C-O 3.54Å; T43-T48 WeakPolarHBondContact CA-O 3.02Å; Y44-T48 WeakPolarHBondContact CB-O 3.38Å; Y44-T48 PolarHBondContact N-O 3.39Å; S46-T48 VanDerWaalsContact C-N 3.33Å; S46-T48 PolarHBondContact OG-OG1 3.44Å | ||
| 49 | G | 92.5 | Very high | 93.4 | Very high | 9 Ų | 9 | 65 Ų | 65 | 9% | 0.093 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 172.3 | 177 | 0 | 0 | 0 | 0 | 0 | 113.7 | L26 V42 | L26-G49 VanDerWaalsContact CD2-C 3.46Å; L26-G49 WeakPolarHBondContact CD2-O 3.46Å; L26-G49 PolarHBondContact O-N 2.95Å; V42-G49 CarbonylContact O-C 3.54Å; V42-G49 WeakPolarHBondContact O-CA 3.5Å |
| 50 | Y | 94 | Very high | 93.3 | Very high | 94 Ų | 94 | 69.8 Ų | 69.8 | 37% | 0.369 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.2 | 154.8 | 167 | 74.9 | -78.9 | 0 | 0 | 0 | 110 | V42 Y44 K52 | V42-Y50 HydrophobicContact CB-CD1 4.02Å; V42-Y50 HydrophobicContact CB-CE1 3.54Å; V42-Y50 HydrophobicContact CG1-CD1 4.41Å; V42-Y50 HydrophobicContact CG1-CE1 3.61Å; V42-Y50 HydrophobicContact CG2-CE1 4.41Å; V42-Y50 PolarHBondContact N-O 3.05Å; V42-Y50 PolarHBondContact O-N 3.36Å; Y44-Y50 HydrophobicContact CD2-CD1 4.25Å; Y44-Y50 HydrophobicContact CE1-CD1 4.06Å; Y44-Y50 HydrophobicContact CE1-CE1 4.19Å; Y44-Y50 AromaticContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CD1 3.51Å; Y44-Y50 HydrophobicContact CE2-CE1 4.41Å; Y44-Y50 HydrophobicContact CE2-CG 4.12Å; Y44-Y50 AromaticContact CZ-CD1 3.38Å; Y44-Y50 AromaticContact CZ-CE1 3.94Å; Y44-Y50 WeakPolarHBondContact OH-CD1 3.28Å; Y50-K52 HydrophobicContact CE2-CB 4.35Å |
| 51 | C | 95.5 | Very high | 93.1 | Very high | 12 Ų | 12 | 69 Ų | 69 | 8% | 0.081 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.8 | 121.9 | 175.2 | -65.1 | 0 | 0 | 0 | 0 | 111.2 | C35 E60 C62 | C35-C51 WeakPolarHBondContact CA-SG 3.32Å; C35-C51 HydrophobicContact CB-CB 3.69Å; C35-C51 WeakPolarHBondContact CB-SG 3.03Å; C35-C51 WeakPolarHBondContact SG-CA 3.04Å; C35-C51 WeakPolarHBondContact SG-CB 3.48Å; C35-C51 CovalentContact SG-SG 2.02Å; C35-C51 PolarHBondContact SG-SG 3.44Å; C51-E60 VanDerWaalsContact CB-O 3.24Å; C51-E60 WeakPolarHBondContact CB-O 3.4Å; C51-E60 PolarHBondContact SG-O 3.48Å; C51-C62 VanDerWaalsContact CB-SG 3.59Å |
| 52 | K | 96.1 | Very high | 93.1 | Very high | 131 Ų | 131 | 68.6 Ų | 68.6 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 113.3 | 165.7 | -174.3 | -177.2 | -178.1 | -177.6 | 0 | 108.7 | G39 M40 V42 Y50 | G39-K52 WeakPolarHBondContact CA-O 3Å; M40-K52 PolarHBondContact N-O 3.07Å; M40-K52 PolarHBondContact O-N 2.97Å; V42-K52 HydrophobicContact CG2-CB 4.32Å; Y50-K52 HydrophobicContact CE2-CB 4.35Å |
| 53 | C | 95.3 | Very high | 93.1 | Very high | 40 Ų | 40 | 70.3 Ų | 70.3 | 27% | 0.27 | 36% | 0.361 | S | S | . | . | P | Polyproline II helix | trans | -83.2 | 142.3 | -177.5 | -53.4 | 0 | 0 | 0 | 0 | 112.4 | F57 C62 | C53-F57 HydrophobicContact CB-CB 4.23Å; C53-F57 WeakPolarHBondContact CB-O 3.5Å; C53-C62 WeakPolarHBondContact CA-SG 3.26Å; C53-C62 HydrophobicContact CB-CB 3.72Å; C53-C62 WeakPolarHBondContact CB-SG 3.34Å; C53-C62 PolarHBondContact N-SG 2.79Å; C53-C62 VanDerWaalsContact N-SG 3.44Å; C53-C62 WeakPolarHBondContact SG-CA 3.31Å; C53-C62 WeakPolarHBondContact SG-CB 3.3Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 2.9Å |
| 54 | P | 95.1 | Very high | 93.2 | Very high | 48 Ų | 48 | 68.4 Ų | 68.4 | 31% | 0.312 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 164.3 | 167.4 | 28.6 | -31.5 | 0 | 0 | 0 | 110.9 | N37 G56 F57 | N37-P54 WeakPolarHBondContact O-CG 3.45Å; P54-G56 PolarHBondContact O-N 3.29Å; P54-F57 HydrophobicContact CG-CB 4.36Å; P54-F57 HydrophobicContact CG-CD2 3.85Å; P54-F57 HydrophobicContact CG-CG 4.4Å; P54-F57 PolarHBondContact O-N 2.79Å; P54-F57 VanDerWaalsContact O-N 3.13Å |
| 55 | E | 93.5 | Very high | 93.3 | Very high | 186 Ų | 186 | 71.4 Ų | 71.4 | 87% | 0.869 | 36% | 0.356 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.2 | 136 | 172.6 | -66.9 | -65.8 | 148.8 | 0 | 0 | 111 | F57 | E55-F57 VanDerWaalsContact C-N 3.34Š|
| 56 | G | 92.8 | Very high | 93.5 | Very high | 9 Ų | 9 | 63.4 Ų | 63.4 | 9% | 0.093 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 79.2 | 7.3 | -178.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | P54 R65 D66 E69 | P54-G56 PolarHBondContact O-N 3.29Å; G56-R65 CarbonylContact O-C 3.57Å; G56-R65 WeakPolarHBondContact O-CA 3.38Å; G56-D66 PolarHBondContact O-N 2.76Å; G56-E69 WeakPolarHBondContact CA-OE2 3.42Å |
| 57 | F | 95 | Very high | 93.7 | Very high | 42 Ų | 42 | 60.4 Ų | 60.4 | 18% | 0.184 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.5 | 146 | 175.4 | -67.9 | -88.8 | 0 | 0 | 0 | 112.9 | N37 C53 P54 E55 C62 H64 R65 | N37-F57 HydrophobicContact CB-CD1 3.49Å; N37-F57 VanDerWaalsContact CB-CD1 3.49Å; N37-F57 HydrophobicContact CB-CD2 4.35Å; N37-F57 HydrophobicContact CB-CE1 3.42Å; N37-F57 VanDerWaalsContact CB-CE1 3.42Å; N37-F57 HydrophobicContact CB-CE2 4.28Å; N37-F57 HydrophobicContact CB-CG 3.96Å; N37-F57 HydrophobicContact CB-CZ 3.83Å; N37-F57 VanDerWaalsContact ND2-CD1 3.35Å; N37-F57 WeakPolarHBondContact ND2-CD1 3.24Å; N37-F57 VanDerWaalsContact ND2-CE1 3.32Å; N37-F57 WeakPolarHBondContact ND2-CE1 3.41Å; C53-F57 HydrophobicContact CB-CB 4.23Å; C53-F57 WeakPolarHBondContact CB-O 3.5Å; P54-F57 HydrophobicContact CG-CB 4.36Å; P54-F57 HydrophobicContact CG-CD2 3.85Å; P54-F57 HydrophobicContact CG-CG 4.4Å; P54-F57 PolarHBondContact O-N 2.79Å; P54-F57 VanDerWaalsContact O-N 3.13Å; E55-F57 VanDerWaalsContact C-N 3.34Å; F57-C62 HydrophobicContact CB-CB 4.36Å; F57-H64 CarbonylContact C-O 3.59Å; F57-H64 VanDerWaalsContact CA-O 3.29Å; F57-H64 WeakPolarHBondContact CA-O 3.36Å; F57-R65 HydrophobicContact CD1-CG 4.24Å; F57-R65 HydrophobicContact CE1-CG 3.75Å; F57-R65 HydrophobicContact CZ-CG 4.34Å |
| 58 | L | 94.4 | Very high | 94.1 | Very high | 38 Ų | 38 | 60.2 Ų | 60.2 | 20% | 0.199 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.7 | 166.9 | -173.2 | -58.7 | 172.6 | 0 | 0 | 0 | 111.8 | C62 Q63 H64 D66 A81 A83 | L58-C62 CarbonylContact O-C 3.53Å; L58-C62 WeakPolarHBondContact O-CA 3.06Å; L58-Q63 PolarHBondContact O-N 3.18Å; L58-H64 PolarHBondContact N-O 2.79Å; L58-H64 WeakPolarHBondContact O-CB 3.45Å; L58-H64 PolarHBondContact O-N 3.36Å; L58-D66 HydrophobicContact CD1-CB 3.96Å; L58-D66 HydrophobicContact CG-CB 4.13Å; L58-A81 HydrophobicContact CD1-CB 3.6Å; L58-A83 HydrophobicContact CB-CB 4.04Å; L58-A83 HydrophobicContact CD2-CB 4.28Å |
| 59 | G | 93.8 | Very high | 94 | Very high | 10 Ų | 10 | 64.4 Ų | 64.4 | 10% | 0.103 | 31% | 0.309 | C | S | . | . | S | Bend | trans | 100.5 | 166.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y61 C62 A83 | G59-Y61 PolarHBondContact O-N 3.14Å; G59-Y61 VanDerWaalsContact O-N 3.11Å; G59-C62 PolarHBondContact O-N 3.09Å; G59-A83 WeakPolarHBondContact CA-O 3.35Å; G59-A83 PolarHBondContact N-O 2.98Å |
| 60 | E | 93.7 | Very high | 93.6 | Very high | 102 Ų | 102 | 72.3 Ų | 72.3 | 48% | 0.477 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.4 | -34.6 | -177.4 | -70.1 | -81.9 | 107.9 | 0 | 0 | 113.9 | C51 M84 | C51-E60 VanDerWaalsContact CB-O 3.24Å; C51-E60 WeakPolarHBondContact CB-O 3.4Å; C51-E60 PolarHBondContact SG-O 3.48Å; E60-M84 HydrophobicContact CG-CE 4.28Å; E60-M84 HydrophobicContact CG-SD 3.78Å; E60-M84 WeakPolarHBondContact OE1-CE 3.44Å |
| 61 | Y | 94.7 | Very high | 93.1 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 35% | 0.345 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -115.3 | 9.8 | -179.3 | -59.4 | -88.7 | 0 | 0 | 0 | 112.8 | L26 P34 V36 G59 Q63 | L26-Y61 HydrophobicContact CD1-CD1 3.57Å; L26-Y61 HydrophobicContact CD1-CE1 3.23Å; L26-Y61 HydrophobicContact CD1-CE2 4.41Å; L26-Y61 HydrophobicContact CD1-CG 4.3Å; L26-Y61 HydrophobicContact CG-CD1 4.46Å; L26-Y61 HydrophobicContact CG-CE1 3.79Å; P34-Y61 HydrophobicContact CB-CD1 4.07Å; P34-Y61 HydrophobicContact CB-CE1 4.05Å; P34-Y61 HydrophobicContact CG-CD1 3.81Å; P34-Y61 HydrophobicContact CG-CE1 3.61Å; V36-Y61 VanDerWaalsContact CG2-O 3.29Å; V36-Y61 WeakPolarHBondContact CG2-O 3.44Å; V36-Y61 PolarHBondContact N-O 3.24Å; G59-Y61 PolarHBondContact O-N 3.14Å; G59-Y61 VanDerWaalsContact O-N 3.11Å; Y61-Q63 PolarHBondContact O-N 3Å |
| 62 | C | 95.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 38% | 0.381 | C | S | . | . | S | Bend | trans | 62.5 | 27.7 | -171.8 | -46.4 | 0 | 0 | 0 | 0 | 114.3 | N37 C51 C53 F57 L58 G59 | N37-C62 PolarHBondContact ND2-O 3.13Å; C51-C62 VanDerWaalsContact CB-SG 3.59Å; C53-C62 WeakPolarHBondContact CA-SG 3.26Å; C53-C62 HydrophobicContact CB-CB 3.72Å; C53-C62 WeakPolarHBondContact CB-SG 3.34Å; C53-C62 PolarHBondContact N-SG 2.79Å; C53-C62 VanDerWaalsContact N-SG 3.44Å; C53-C62 WeakPolarHBondContact SG-CA 3.31Å; C53-C62 WeakPolarHBondContact SG-CB 3.3Å; C53-C62 CovalentContact SG-SG 2.04Å; C53-C62 PolarHBondContact SG-SG 2.9Å; F57-C62 HydrophobicContact CB-CB 4.36Å; L58-C62 CarbonylContact O-C 3.53Å; L58-C62 WeakPolarHBondContact O-CA 3.06Å; G59-C62 PolarHBondContact O-N 3.09Å |
| 63 | Q | 95.5 | Very high | 92.9 | Very high | 76 Ų | 76 | 74.9 Ų | 74.9 | 36% | 0.355 | 36% | 0.359 | S | S | . | . | trans | -77.6 | -21.3 | -174.8 | 72 | -82.3 | 20 | 0 | 0 | 114.1 | V36 L58 Y61 | V36-Q63 VanDerWaalsContact CG2-CA 3.46Å; V36-Q63 HydrophobicContact CG2-CB 3.8Å; L58-Q63 PolarHBondContact O-N 3.18Å; Y61-Q63 PolarHBondContact O-N 3Å | ||
| 64 | H | 95.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 77.7 Ų | 77.7 | 23% | 0.231 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.5 | 135.7 | -179.4 | -54.2 | 120.9 | 0 | 0 | 0 | 110.2 | F57 L58 A83 M84 G86 | F57-H64 CarbonylContact C-O 3.59Å; F57-H64 VanDerWaalsContact CA-O 3.29Å; F57-H64 WeakPolarHBondContact CA-O 3.36Å; L58-H64 PolarHBondContact N-O 2.79Å; L58-H64 WeakPolarHBondContact O-CB 3.45Å; L58-H64 PolarHBondContact O-N 3.36Å; H64-A83 PolarHBondContact ND1-O 2.04Å; H64-M84 PolarHBondContact CE1-O 3.36Å; H64-M84 VanDerWaalsContact CE1-O 3.28Å; H64-G86 VanDerWaalsContact CG-CA 3.44Å; H64-G86 PolarHBondContact ND1-N 3.45Å |
| 65 | R | 93.8 | Very high | 92.7 | Very high | 185 Ų | 185 | 79 Ų | 79 | 70% | 0.698 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69 | 146.1 | 161.3 | -75.6 | -179.4 | 176 | -112.5 | 2.4 | 109 | G56 F57 P67 | G56-R65 CarbonylContact O-C 3.57Å; G56-R65 WeakPolarHBondContact O-CA 3.38Å; F57-R65 HydrophobicContact CD1-CG 4.24Å; F57-R65 HydrophobicContact CE1-CG 3.75Å; F57-R65 HydrophobicContact CZ-CG 4.34Å; R65-P67 WeakPolarHBondContact O-CD 3.39Å; R65-P67 VanDerWaalsContact O-N 3.13Å |
| 66 | D | 93.5 | Very high | 92.7 | Very high | 44 Ų | 44 | 73.3 Ų | 73.3 | 24% | 0.235 | 36% | 0.364 | C | S | . | . | trans | -64.2 | 111.4 | 175.5 | -173.2 | -14 | 0 | 0 | 0 | 109.7 | G56 L58 C68 E69 | G56-D66 PolarHBondContact O-N 2.76Å; L58-D66 HydrophobicContact CD1-CB 3.96Å; L58-D66 HydrophobicContact CG-CB 4.13Å; D66-C68 PolarHBondContact O-N 3.07Å; D66-C68 VanDerWaalsContact O-N 3.14Å; D66-C68 WeakPolarHBondContact OD1-CB 3.47Å; D66-C68 PolarHBondContact OD1-N 3.45Å; D66-E69 HydrophobicContact CB-CB 4.32Å; D66-E69 PolarHBondContact O-N 2.8Å | ||
| 67 | P | 92.2 | Very high | 92.8 | Very high | 30 Ų | 30 | 73.6 Ų | 73.6 | 20% | 0.195 | 37% | 0.368 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.1 | -10.3 | 179.8 | 27.9 | -33.3 | 0 | 0 | 0 | 113.7 | R65 A81 A88 | R65-P67 WeakPolarHBondContact O-CD 3.39Å; R65-P67 VanDerWaalsContact O-N 3.13Å; P67-A81 HydrophobicContact CG-CB 4.12Å; P67-A88 HydrophobicContact CB-CB 3.79Å; P67-A88 HydrophobicContact CG-CB 3.67Å |
| 68 | C | 93.8 | Very high | 92.8 | Very high | 31 Ų | 31 | 74.8 Ų | 74.8 | 21% | 0.209 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.2 | -6.4 | 177.8 | -67.1 | 0 | 0 | 0 | 0 | 114.4 | D66 K70 C79 A81 | D66-C68 PolarHBondContact O-N 3.07Å; D66-C68 VanDerWaalsContact O-N 3.14Å; D66-C68 WeakPolarHBondContact OD1-CB 3.47Å; D66-C68 PolarHBondContact OD1-N 3.45Å; C68-K70 VanDerWaalsContact C-N 3.25Å; C68-K70 PolarHBondContact O-N 2.86Å; C68-C79 WeakPolarHBondContact CA-SG 3.17Å; C68-C79 HydrophobicContact CB-CB 3.66Å; C68-C79 WeakPolarHBondContact CB-SG 3.32Å; C68-C79 WeakPolarHBondContact SG-CB 3.27Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 3.23Å; C68-A81 PolarHBondContact SG-N 3.47Å |
| 69 | E | 88.2 | Confident | 92.9 | Very high | 128 Ų | 128 | 74.7 Ų | 74.7 | 60% | 0.598 | 38% | 0.38 | S | S | * | . | S | Bend | trans | -67.3 | -29.3 | 179.4 | -166.5 | 175.5 | -170.1 | 0 | 0 | 112 | G56 D66 | G56-E69 WeakPolarHBondContact CA-OE2 3.42Å; D66-E69 HydrophobicContact CB-CB 4.32Å; D66-E69 PolarHBondContact O-N 2.8Å |
| 70 | K | 84 | Confident | 92.9 | Very high | 175 Ų | 175 | 78.3 Ų | 78.3 | 76% | 0.761 | 40% | 0.4 | S | S | * | . | S | Bend | trans | -89.4 | 136.2 | 168.5 | -166.4 | 172 | -177.6 | 178.7 | 0 | 108.2 | C68 R72 | C68-K70 VanDerWaalsContact C-N 3.25Å; C68-K70 PolarHBondContact O-N 2.86Å; K70-R72 WeakPolarHBondContact O-CB 3.01Å; K70-R72 PolarHBondContact O-N 2.81Å |
| 71 | N | 83.7 | Confident | 92.9 | Very high | 165 Ų | 165 | 75.1 Ų | 75.1 | 88% | 0.882 | 39% | 0.391 | S | S | * | . | trans | -54.8 | 73.8 | 172.1 | -75 | -27.7 | 0 | 0 | 0 | 111.8 | ||||
| 72 | R | 91.8 | Very high | 92.9 | Very high | 107 Ų | 107 | 75.8 Ų | 75.8 | 40% | 0.404 | 40% | 0.397 | S | S | . | . | trans | -78.2 | -46.2 | -172 | 174.2 | 174.4 | 173.2 | 113.6 | 15.4 | 110.4 | K70 D100 | K70-R72 WeakPolarHBondContact O-CB 3.01Å; K70-R72 PolarHBondContact O-N 2.81Å; R72-D100 IonicContact CZ-OD1 3.83Å; R72-D100 IonicContact NE-OD1 3.52Å; R72-D100 PolarHBondContact NE-OD1 2.97Å; R72-D100 IonicContact NH2-OD1 3.01Å; R72-D100 PolarHBondContact NH2-OD1 3.41Å; R72-D100 IonicContact NH2-OD2 3.72Å | ||
| 73 | C | 94.9 | Very high | 92.5 | Very high | 18 Ų | 18 | 77.6 Ų | 77.6 | 12% | 0.122 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -78.6 | 127.3 | 179.4 | -49.6 | 0 | 0 | 0 | 0 | 110 | G77 C79 C90 | C73-G77 WeakPolarHBondContact CB-O 3.38Å; C73-C79 WeakPolarHBondContact SG-CA 3.42Å; C73-C79 WeakPolarHBondContact SG-CB 3.33Å; C73-C90 WeakPolarHBondContact CA-SG 3.47Å; C73-C90 HydrophobicContact CB-CB 3.76Å; C73-C90 WeakPolarHBondContact CB-SG 3.35Å; C73-C90 VanDerWaalsContact SG-CA 3.51Å; C73-C90 WeakPolarHBondContact SG-CB 3.27Å; C73-C90 CovalentContact SG-SG 2.03Å; C73-C90 PolarHBondContact SG-SG 2.74Å |
| 74 | Q | 94 | Very high | 92.2 | Very high | 100 Ų | 100 | 79.2 Ų | 79.2 | 47% | 0.467 | 42% | 0.421 | S | S | . | . | trans | -86.1 | 170.4 | 178.5 | -56.8 | -177.4 | 16 | 0 | 0 | 110.9 | G76 G77 D100 C101 Q102 | Q74-G76 VanDerWaalsContact C-N 3.25Å; Q74-G76 PolarHBondContact O-N 2.04Å; Q74-G76 VanDerWaalsContact O-N 3.09Å; Q74-G77 PolarHBondContact O-N 2.04Å; Q74-D100 WeakPolarHBondContact CB-O 3.12Å; Q74-D100 PolarHBondContact N-O 3.24Å; Q74-C101 WeakPolarHBondContact O-CB 3.25Å; Q74-Q102 VanDerWaalsContact OE1-CB 3.25Å | ||
| 75 | N | 93.4 | Very high | 92 | Very high | 74 Ų | 74 | 81 Ų | 81 | 40% | 0.396 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.3 | 38.7 | 169.7 | -58.9 | -50.9 | 0 | 0 | 0 | 115 | G77 F96 C101 | N75-G77 VanDerWaalsContact C-N 3.34Å; N75-G77 PolarHBondContact O-N 2.81Å; N75-F96 HydrophobicContact CB-CB 4.4Å; N75-F96 HydrophobicContact CB-CD1 3.39Å; N75-F96 HydrophobicContact CB-CD2 3.82Å; N75-F96 HydrophobicContact CB-CE1 3.42Å; N75-F96 VanDerWaalsContact CB-CE1 3.42Å; N75-F96 HydrophobicContact CB-CE2 3.85Å; N75-F96 HydrophobicContact CB-CG 3.59Å; N75-F96 HydrophobicContact CB-CZ 3.65Å; N75-F96 VanDerWaalsContact CG-CD1 3.45Å; N75-F96 WeakPolarHBondContact ND2-CD1 3.38Å; N75-F96 WeakPolarHBondContact ND2-CE1 3.36Å; N75-C101 PolarHBondContact ND2-O 2.77Å |
| 76 | G | 92.3 | Very high | 91.9 | Very high | 67 Ų | 67 | 73.3 Ų | 73.3 | 69% | 0.691 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75.5 | 17.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.9 | Q74 | Q74-G76 VanDerWaalsContact C-N 3.25Å; Q74-G76 PolarHBondContact O-N 2.04Å; Q74-G76 VanDerWaalsContact O-N 3.09Å |
| 77 | G | 95 | Very high | 91.9 | Very high | 16 Ų | 16 | 77.6 Ų | 77.6 | 17% | 0.165 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -64.3 | 144.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 113 | C73 Q74 N75 R91 | C73-G77 WeakPolarHBondContact CB-O 3.38Å; Q74-G77 PolarHBondContact O-N 2.04Å; N75-G77 VanDerWaalsContact C-N 3.34Å; N75-G77 PolarHBondContact O-N 2.81Å; G77-R91 CarbonylContact C-O 3.47Å; G77-R91 VanDerWaalsContact CA-O 3.32Å; G77-R91 WeakPolarHBondContact CA-O 3.02Å |
| 78 | T | 95.8 | Very high | 91.9 | Very high | 67 Ų | 67 | 77 Ų | 77 | 41% | 0.411 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.3 | 122.2 | 173.8 | -46.2 | 0 | 0 | 0 | 0 | 110 | R91 | T78-R91 PolarHBondContact N-O 3.22Å; T78-R91 PolarHBondContact O-N 3.4Å |
| 79 | C | 95.6 | Very high | 92 | Very high | 35 Ų | 35 | 79.9 Ų | 79.9 | 24% | 0.236 | 44% | 0.441 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 131.9 | 176.2 | -168.5 | 0 | 0 | 0 | 0 | 111.2 | C68 C73 | C68-C79 WeakPolarHBondContact CA-SG 3.17Å; C68-C79 HydrophobicContact CB-CB 3.66Å; C68-C79 WeakPolarHBondContact CB-SG 3.32Å; C68-C79 WeakPolarHBondContact SG-CB 3.27Å; C68-C79 CovalentContact SG-SG 2.04Å; C68-C79 PolarHBondContact SG-SG 3.23Å; C73-C79 WeakPolarHBondContact SG-CA 3.42Å; C73-C79 WeakPolarHBondContact SG-CB 3.33Å |
| 80 | V | 94.8 | Very high | 92.4 | Very high | 86 Ų | 86 | 74.4 Ų | 74.4 | 52% | 0.521 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 112.3 | 174.6 | -176.8 | 0 | 0 | 0 | 0 | 108.5 | A88 T89 | V80-A88 CarbonylContact O-C 3.52Å; V80-A88 VanDerWaalsContact O-CA 3.31Å; V80-A88 WeakPolarHBondContact O-CA 3.2Å; V80-T89 PolarHBondContact N-O 3.26Å; V80-T89 PolarHBondContact O-N 2.72Å |
| 81 | A | 93.6 | Very high | 92.9 | Very high | 35 Ų | 35 | 74.3 Ų | 74.3 | 29% | 0.289 | 41% | 0.412 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 135.4 | 178 | 0 | 0 | 0 | 0 | 0 | 111.4 | L58 P67 C68 | L58-A81 HydrophobicContact CD1-CB 3.6Å; P67-A81 HydrophobicContact CG-CB 4.12Å; C68-A81 PolarHBondContact SG-N 3.47Å |
| 82 | Q | 93.4 | Very high | 93.4 | Very high | 102 Ų | 102 | 68.4 Ų | 68.4 | 48% | 0.477 | 38% | 0.383 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 90.5 | 172.6 | -161.1 | 177.3 | -26.1 | 0 | 0 | 108.8 | M84 L85 G86 K87 | Q82-M84 VanDerWaalsContact C-N 3.3Å; Q82-M84 PolarHBondContact O-N 3.14Å; Q82-M84 VanDerWaalsContact O-N 3.13Å; Q82-L85 HydrophobicContact CG-CD1 4.49Å; Q82-L85 PolarHBondContact O-N 3.17Å; Q82-G86 PolarHBondContact O-N 3.03Å; Q82-G86 VanDerWaalsContact O-N 3.11Å; Q82-K87 PolarHBondContact N-O 3.19Å |
| 83 | A | 88.2 | Confident | 93.5 | Very high | 38 Ų | 38 | 65.1 Ų | 65.1 | 31% | 0.314 | 38% | 0.379 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.8 | -43.2 | -166.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L58 G59 H64 L85 G86 | L58-A83 HydrophobicContact CB-CB 4.04Å; L58-A83 HydrophobicContact CD2-CB 4.28Å; G59-A83 WeakPolarHBondContact CA-O 3.35Å; G59-A83 PolarHBondContact N-O 2.98Å; H64-A83 PolarHBondContact ND1-O 2.04Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.16Å; A83-G86 PolarHBondContact O-N 3.32Å |
| 84 | M | 89.2 | Confident | 93.3 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 55% | 0.547 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -26.2 | -176.4 | -55.6 | -46 | -170.2 | 0 | 0 | 114.1 | E60 H64 Q82 | E60-M84 HydrophobicContact CG-CE 4.28Å; E60-M84 HydrophobicContact CG-SD 3.78Å; E60-M84 WeakPolarHBondContact OE1-CE 3.44Å; H64-M84 PolarHBondContact CE1-O 3.36Å; H64-M84 VanDerWaalsContact CE1-O 3.28Å; Q82-M84 VanDerWaalsContact C-N 3.3Å; Q82-M84 PolarHBondContact O-N 3.14Å; Q82-M84 VanDerWaalsContact O-N 3.13Å |
| 85 | L | 91.2 | Very high | 93.1 | Very high | 88 Ų | 88 | 67.2 Ų | 67.2 | 46% | 0.461 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | -14 | -179.8 | -67 | -174.7 | 0 | 0 | 0 | 113.2 | Q82 A83 K87 | Q82-L85 HydrophobicContact CG-CD1 4.49Å; Q82-L85 PolarHBondContact O-N 3.17Å; A83-L85 VanDerWaalsContact C-N 3.34Å; A83-L85 PolarHBondContact O-N 3.16Å; L85-K87 HydrophobicContact CB-CB 4.18Å; L85-K87 HydrophobicContact CB-CD 4.23Å; L85-K87 HydrophobicContact CB-CG 4.05Å; L85-K87 HydrophobicContact CD1-CD 4.3Å; L85-K87 PolarHBondContact O-N 3.47Å |
| 86 | G | 90.5 | Very high | 93 | Very high | 23 Ų | 23 | 66.5 Ų | 66.5 | 24% | 0.237 | 40% | 0.404 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 62.8 | 24.6 | -169.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | H64 Q82 A83 | H64-G86 VanDerWaalsContact CG-CA 3.44Å; H64-G86 PolarHBondContact ND1-N 3.45Å; Q82-G86 PolarHBondContact O-N 3.03Å; Q82-G86 VanDerWaalsContact O-N 3.11Å; A83-G86 PolarHBondContact O-N 3.32Å |
| 87 | K | 93.6 | Very high | 92.9 | Very high | 133 Ų | 133 | 64.2 Ų | 64.2 | 58% | 0.578 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -108 | 157.3 | 179.3 | -67.5 | -177.9 | -178 | -179.4 | 0 | 110.1 | Q82 L85 | Q82-K87 PolarHBondContact N-O 3.19Å; L85-K87 HydrophobicContact CB-CB 4.18Å; L85-K87 HydrophobicContact CB-CD 4.23Å; L85-K87 HydrophobicContact CB-CG 4.05Å; L85-K87 HydrophobicContact CD1-CD 4.3Å; L85-K87 PolarHBondContact O-N 3.47Å |
| 88 | A | 93.5 | Very high | 92.6 | Very high | 17 Ų | 17 | 63.7 Ų | 63.7 | 14% | 0.14 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 156.8 | 170.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | P67 V80 | P67-A88 HydrophobicContact CB-CB 3.79Å; P67-A88 HydrophobicContact CG-CB 3.67Å; V80-A88 CarbonylContact O-C 3.52Å; V80-A88 VanDerWaalsContact O-CA 3.31Å; V80-A88 WeakPolarHBondContact O-CA 3.2Å |
| 89 | T | 95.5 | Very high | 92.4 | Very high | 92 Ų | 92 | 67.3 Ų | 67.3 | 56% | 0.564 | 38% | 0.383 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 137.7 | 168.4 | -55.1 | 0 | 0 | 0 | 0 | 108.9 | V80 | V80-T89 PolarHBondContact N-O 3.26Å; V80-T89 PolarHBondContact O-N 2.72Å |
| 90 | C | 95.5 | Very high | 92.3 | Very high | 14 Ų | 14 | 67.6 Ų | 67.6 | 10% | 0.095 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 131.4 | 176.5 | -65.5 | 0 | 0 | 0 | 0 | 111.1 | C73 E99 | C73-C90 WeakPolarHBondContact CA-SG 3.47Å; C73-C90 HydrophobicContact CB-CB 3.76Å; C73-C90 WeakPolarHBondContact CB-SG 3.35Å; C73-C90 VanDerWaalsContact SG-CA 3.51Å; C73-C90 WeakPolarHBondContact SG-CB 3.27Å; C73-C90 CovalentContact SG-SG 2.03Å; C73-C90 PolarHBondContact SG-SG 2.74Å; C90-E99 VanDerWaalsContact CB-O 3.29Å; C90-E99 WeakPolarHBondContact CB-O 3.01Å |
| 91 | R | 95.5 | Very high | 92.2 | Very high | 172 Ų | 172 | 63.5 Ų | 63.5 | 65% | 0.649 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 112.5 | 164.6 | -174.3 | 178.3 | 66.2 | 172 | -0.3 | 108.9 | G77 T78 | G77-R91 CarbonylContact C-O 3.47Å; G77-R91 VanDerWaalsContact CA-O 3.32Å; G77-R91 WeakPolarHBondContact CA-O 3.02Å; T78-R91 PolarHBondContact N-O 3.22Å; T78-R91 PolarHBondContact O-N 3.4Å |
| 92 | C | 93.2 | Very high | 92.1 | Very high | 42 Ų | 42 | 64.5 Ų | 64.5 | 28% | 0.284 | 36% | 0.356 | S | S | . | . | P | Polyproline II helix | trans | -76.8 | 146.6 | -173.5 | -54.5 | 0 | 0 | 0 | 0 | 113.4 | F96 C101 | C92-F96 HydrophobicContact CB-CB 4.32Å; C92-F96 WeakPolarHBondContact CB-O 2.93Å; C92-C101 WeakPolarHBondContact CA-SG 3.37Å; C92-C101 HydrophobicContact CB-CB 3.73Å; C92-C101 WeakPolarHBondContact CB-SG 3Å; C92-C101 PolarHBondContact N-SG 2.94Å; C92-C101 WeakPolarHBondContact SG-CA 3.01Å; C92-C101 WeakPolarHBondContact SG-CB 3.33Å; C92-C101 CovalentContact SG-SG 2.04Å; C92-C101 PolarHBondContact SG-SG 3.28Å |
| 93 | A | 94 | Very high | 91.9 | Very high | 38 Ų | 38 | 64.1 Ų | 64.1 | 31% | 0.314 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -67.2 | 160.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | G95 F96 | A93-G95 PolarHBondContact O-N 3.45Å; A93-F96 HydrophobicContact CB-CD2 4.36Å; A93-F96 PolarHBondContact O-N 3.03Å; A93-F96 VanDerWaalsContact O-N 3.15Å |
| 94 | S | 91.7 | Very high | 92 | Very high | 124 Ų | 124 | 66 Ų | 66 | 87% | 0.867 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | 131.3 | 175.8 | -58.2 | 0 | 0 | 0 | 0 | 110.9 | ||
| 95 | G | 90 | Very high | 91.8 | Very high | 37 Ų | 37 | 63.8 Ų | 63.8 | 38% | 0.381 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 91.2 | 0.9 | 180 | 0 | 0 | 0 | 0 | 0 | 115.1 | A93 S104 T105 | A93-G95 PolarHBondContact O-N 3.45Å; G95-S104 CarbonylContact O-C 3.45Å; G95-S104 WeakPolarHBondContact O-CA 2.99Å; G95-T105 VanDerWaalsContact C-OG1 3.24Å; G95-T105 WeakPolarHBondContact CA-OG1 3.04Å; G95-T105 PolarHBondContact O-N 2.78Å; G95-T105 PolarHBondContact O-OG1 3.16Å |
| 96 | F | 91.9 | Very high | 91.4 | Very high | 59 Ų | 59 | 63.4 Ų | 63.4 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.5 | 154.7 | -179.5 | -63.2 | -83.6 | 0 | 0 | 0 | 113.1 | N75 C92 A93 C101 Y103 | N75-F96 HydrophobicContact CB-CB 4.4Å; N75-F96 HydrophobicContact CB-CD1 3.39Å; N75-F96 HydrophobicContact CB-CD2 3.82Å; N75-F96 HydrophobicContact CB-CE1 3.42Å; N75-F96 VanDerWaalsContact CB-CE1 3.42Å; N75-F96 HydrophobicContact CB-CE2 3.85Å; N75-F96 HydrophobicContact CB-CG 3.59Å; N75-F96 HydrophobicContact CB-CZ 3.65Å; N75-F96 VanDerWaalsContact CG-CD1 3.45Å; N75-F96 WeakPolarHBondContact ND2-CD1 3.38Å; N75-F96 WeakPolarHBondContact ND2-CE1 3.36Å; C92-F96 HydrophobicContact CB-CB 4.32Å; C92-F96 WeakPolarHBondContact CB-O 2.93Å; A93-F96 HydrophobicContact CB-CD2 4.36Å; A93-F96 PolarHBondContact O-N 3.03Å; A93-F96 VanDerWaalsContact O-N 3.15Å; F96-C101 HydrophobicContact CB-CB 4.49Å; F96-Y103 CarbonylContact C-O 3.32Å; F96-Y103 WeakPolarHBondContact CA-O 3.38Å |
| 97 | T | 90.1 | Very high | 91.2 | Very high | 20 Ų | 20 | 63.4 Ų | 63.4 | 12% | 0.123 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -154.2 | 172.3 | -177.1 | -149.7 | 0 | 0 | 0 | 0 | 110.9 | C101 Q102 Y103 T105 H107 F110 | T97-C101 CarbonylContact O-C 3.53Å; T97-C101 VanDerWaalsContact O-C 3.3Å; T97-C101 WeakPolarHBondContact O-CA 3.4Å; T97-Q102 PolarHBondContact O-N 3.42Å; T97-Y103 PolarHBondContact N-O 2.81Å; T97-Y103 PolarHBondContact O-N 3.26Å; T97-T105 HydrophobicContact CG2-CG2 3.99Å; T97-H107 HydrophobicContact CG2-CB 3.69Å; T97-F110 HydrophobicContact CG2-CB 3.9Å; T97-F110 HydrophobicContact CG2-CD1 3.79Å; T97-F110 HydrophobicContact CG2-CG 4.05Å; T97-F110 WeakPolarHBondContact OG1-CD1 3.37Å; T97-F110 WeakPolarHBondContact OG1-CE1 3.42Å |
| 98 | G | 88.7 | Confident | 90.8 | Very high | 4 Ų | 4 | 57.9 Ų | 57.9 | 4% | 0.041 | 33% | 0.329 | C | S | . | . | S | Bend | trans | 108.5 | 159.6 | -168.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D100 C101 F110 | G98-D100 PolarHBondContact O-N 2.98Å; G98-C101 PolarHBondContact O-N 3.06Å; G98-F110 VanDerWaalsContact C-CZ 3.46Å; G98-F110 VanDerWaalsContact CA-CZ 3.45Å; G98-F110 VanDerWaalsContact N-CE1 3.3Å |
| 99 | E | 91 | Very high | 90.7 | Very high | 144 Ų | 144 | 58 Ų | 58 | 67% | 0.673 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -32.6 | 176.7 | -68.2 | -171.3 | 162.8 | 0 | 0 | 112.7 | C90 F110 | C90-E99 VanDerWaalsContact CB-O 3.29Å; C90-E99 WeakPolarHBondContact CB-O 3.01Å; E99-F110 HydrophobicContact CG-CE2 4.44Å |
| 100 | D | 92.9 | Very high | 90.2 | Very high | 40 Ų | 40 | 57 Ų | 57 | 21% | 0.214 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -112.2 | 18 | 176.5 | -59.4 | -44.1 | 0 | 0 | 0 | 111.1 | R72 Q74 G98 Q102 | R72-D100 IonicContact CZ-OD1 3.83Å; R72-D100 IonicContact NE-OD1 3.52Å; R72-D100 PolarHBondContact NE-OD1 2.97Å; R72-D100 IonicContact NH2-OD1 3.01Å; R72-D100 PolarHBondContact NH2-OD1 3.41Å; R72-D100 IonicContact NH2-OD2 3.72Å; Q74-D100 WeakPolarHBondContact CB-O 3.12Å; Q74-D100 PolarHBondContact N-O 3.24Å; G98-D100 PolarHBondContact O-N 2.98Å; D100-Q102 PolarHBondContact O-N 3.08Å |
| 101 | C | 93.2 | Very high | 89.7 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 34% | 0.34 | C | S | . | . | S | Bend | trans | 58.7 | 28.7 | -179.4 | -51.5 | 0 | 0 | 0 | 0 | 115.1 | Q74 N75 C92 F96 T97 G98 | Q74-C101 WeakPolarHBondContact O-CB 3.25Å; N75-C101 PolarHBondContact ND2-O 2.77Å; C92-C101 WeakPolarHBondContact CA-SG 3.37Å; C92-C101 HydrophobicContact CB-CB 3.73Å; C92-C101 WeakPolarHBondContact CB-SG 3Å; C92-C101 PolarHBondContact N-SG 2.94Å; C92-C101 WeakPolarHBondContact SG-CA 3.01Å; C92-C101 WeakPolarHBondContact SG-CB 3.33Å; C92-C101 CovalentContact SG-SG 2.04Å; C92-C101 PolarHBondContact SG-SG 3.28Å; F96-C101 HydrophobicContact CB-CB 4.49Å; T97-C101 CarbonylContact O-C 3.53Å; T97-C101 VanDerWaalsContact O-C 3.3Å; T97-C101 WeakPolarHBondContact O-CA 3.4Å; G98-C101 PolarHBondContact O-N 3.06Å |
| 102 | Q | 91.3 | Very high | 89.3 | Confident | 56 Ų | 56 | 56.4 Ų | 56.4 | 26% | 0.262 | 34% | 0.335 | S | S | . | . | trans | -77.3 | -19.2 | -173 | 68.9 | -88.6 | 32.7 | 0 | 0 | 114.6 | Q74 T97 D100 | Q74-Q102 VanDerWaalsContact OE1-CB 3.25Å; T97-Q102 PolarHBondContact O-N 3.42Å; D100-Q102 PolarHBondContact O-N 3.08Å | ||
| 103 | Y | 89.4 | Confident | 89.1 | Confident | 94 Ų | 94 | 63.1 Ų | 63.1 | 37% | 0.369 | 35% | 0.354 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.5 | 136 | -173.6 | -54 | -58.8 | 0 | 0 | 0 | 111.7 | F96 T97 H107 | F96-Y103 CarbonylContact C-O 3.32Å; F96-Y103 WeakPolarHBondContact CA-O 3.38Å; T97-Y103 PolarHBondContact N-O 2.81Å; T97-Y103 PolarHBondContact O-N 3.26Å; Y103-H107 AromaticContact CD1-CE1 3.53Å; Y103-H107 AromaticContact CD1-ND1 3.99Å; Y103-H107 AromaticContact CG-CE1 3.67Å; Y103-H107 AromaticContact CG-ND1 3.83Å; Y103-H107 AromaticContact CG-NE2 3.9Å |
| 104 | S | 89.9 | Confident | 89.2 | Confident | 78 Ų | 78 | 61.8 Ų | 61.8 | 55% | 0.545 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.6 | 143.9 | 167.7 | -57.9 | 0 | 0 | 0 | 0 | 111.5 | G95 | G95-S104 CarbonylContact O-C 3.45Å; G95-S104 WeakPolarHBondContact O-CA 2.99Å |
| 105 | T | 85.4 | Confident | 89.4 | Confident | 65 Ų | 65 | 56.9 Ų | 56.9 | 40% | 0.399 | 31% | 0.308 | S | S | . | . | S | Bend | trans | -89 | 150.6 | 176.1 | 58.8 | 0 | 0 | 0 | 0 | 112.5 | G95 T97 | G95-T105 VanDerWaalsContact C-OG1 3.24Å; G95-T105 WeakPolarHBondContact CA-OG1 3.04Å; G95-T105 PolarHBondContact O-N 2.78Å; G95-T105 PolarHBondContact O-OG1 3.16Å; T97-T105 HydrophobicContact CG2-CG2 3.99Å |
| 106 | P | 83.3 | Confident | 89.7 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 51% | 0.513 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | cis | -72.9 | 136.2 | -3.9 | 30.3 | -33.5 | 0 | 0 | 0 | 111.3 | ||
| 107 | H | 84.8 | Confident | 89.8 | Confident | 23 Ų | 23 | 59.7 Ų | 59.7 | 11% | 0.106 | 32% | 0.316 | C | S | . | . | trans | -121.6 | 94.2 | 173.1 | -167.5 | 91.5 | 0 | 0 | 0 | 108.3 | T97 Y103 C109 F110 V111 M123 | T97-H107 HydrophobicContact CG2-CB 3.69Å; Y103-H107 AromaticContact CD1-CE1 3.53Å; Y103-H107 AromaticContact CD1-ND1 3.99Å; Y103-H107 AromaticContact CG-CE1 3.67Å; Y103-H107 AromaticContact CG-ND1 3.83Å; Y103-H107 AromaticContact CG-NE2 3.9Å; H107-C109 VanDerWaalsContact C-N 3.26Å; H107-C109 PolarHBondContact O-N 3.33Å; H107-C109 VanDerWaalsContact O-N 3.15Å; H107-F110 PolarHBondContact O-N 2.82Å; H107-V111 WeakPolarHBondContact O-CG2 3.33Å; H107-V111 PolarHBondContact O-N 3.32Å; H107-M123 WeakPolarHBondContact CE1-CG 3.32Å | ||
| 108 | P | 86.6 | Confident | 90 | Very high | 18 Ų | 18 | 61.4 Ų | 61.4 | 12% | 0.117 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -45.1 | -46.9 | -177.1 | -30.5 | 31.4 | 0 | 0 | 0 | 113.7 | F110 S112 R113 M123 R126 Y129 | P108-F110 PolarHBondContact O-N 3.42Å; P108-F110 VanDerWaalsContact O-N 3.11Å; P108-S112 PolarHBondContact O-N 3.16Å; P108-S112 PolarHBondContact O-OG 2.76Å; P108-R113 PolarHBondContact O-N 3.49Å; P108-M123 HydrophobicContact CB-SD 4.33Å; P108-M123 HydrophobicContact CG-CE 4.41Å; P108-M123 HydrophobicContact CG-SD 4.17Å; P108-R126 WeakPolarHBondContact CD-O 3.37Å; P108-Y129 HydrophobicContact CB-CD1 3.94Å |
| 109 | C | 91 | Very high | 90.4 | Very high | 20 Ų | 20 | 61.9 Ų | 61.9 | 14% | 0.135 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.5 | -26.6 | -176.8 | -69.9 | 0 | 0 | 0 | 0 | 115.3 | H107 R113 C121 M123 | H107-C109 VanDerWaalsContact C-N 3.26Å; H107-C109 PolarHBondContact O-N 3.33Å; H107-C109 VanDerWaalsContact O-N 3.15Å; C109-R113 WeakPolarHBondContact O-CA 3.48Å; C109-C121 WeakPolarHBondContact CA-SG 3.47Å; C109-C121 HydrophobicContact CB-CB 3.55Å; C109-C121 WeakPolarHBondContact CB-SG 3.4Å; C109-C121 VanDerWaalsContact SG-C 3.57Å; C109-C121 WeakPolarHBondContact SG-CB 3.3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.02Å; C109-M123 HydrophobicContact CB-SD 4.43Å |
| 110 | F | 85.3 | Confident | 90.7 | Very high | 70 Ų | 70 | 58.7 Ų | 58.7 | 31% | 0.307 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -105.6 | -36.1 | -177.7 | -168.9 | -85.7 | 0 | 0 | 0 | 112 | T97 G98 E99 H107 P108 R113 | T97-F110 HydrophobicContact CG2-CB 3.9Å; T97-F110 HydrophobicContact CG2-CD1 3.79Å; T97-F110 HydrophobicContact CG2-CG 4.05Å; T97-F110 WeakPolarHBondContact OG1-CD1 3.37Å; T97-F110 WeakPolarHBondContact OG1-CE1 3.42Å; G98-F110 VanDerWaalsContact C-CZ 3.46Å; G98-F110 VanDerWaalsContact CA-CZ 3.45Å; G98-F110 VanDerWaalsContact N-CE1 3.3Å; E99-F110 HydrophobicContact CG-CE2 4.44Å; H107-F110 PolarHBondContact O-N 2.82Å; P108-F110 PolarHBondContact O-N 3.42Å; P108-F110 VanDerWaalsContact O-N 3.11Å; F110-R113 WeakPolarHBondContact O-CG 3.31Å |
| 111 | V | 83.9 | Confident | 90.7 | Very high | 97 Ų | 97 | 58.4 Ų | 58.4 | 59% | 0.588 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -72.3 | -50.2 | -180 | 178.2 | 0 | 0 | 0 | 0 | 111 | H107 | H107-V111 WeakPolarHBondContact O-CG2 3.33Å; H107-V111 PolarHBondContact O-N 3.32Å |
| 112 | S | 87.1 | Confident | 90.8 | Very high | 76 Ų | 76 | 62.2 Ų | 62.2 | 53% | 0.531 | 35% | 0.352 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.9 | -20.1 | -179.2 | 60.2 | 0 | 0 | 0 | 0 | 113.7 | P108 P114 | P108-S112 PolarHBondContact O-N 3.16Å; P108-S112 PolarHBondContact O-OG 2.76Å; S112-P114 WeakPolarHBondContact OG-CD 3.07Å |
| 113 | R | 90.5 | Very high | 90.6 | Very high | 184 Ų | 184 | 62.5 Ų | 62.5 | 69% | 0.694 | 35% | 0.354 | S | S | * | . | trans | 46.4 | 58.1 | -174.5 | -56.2 | -179.5 | 73.5 | 139.9 | 3.6 | 111.1 | P108 C109 F110 C115 | P108-R113 PolarHBondContact O-N 3.49Å; C109-R113 WeakPolarHBondContact O-CA 3.48Å; F110-R113 WeakPolarHBondContact O-CG 3.31Å; R113-C115 VanDerWaalsContact C-N 3.32Å; R113-C115 PolarHBondContact O-N 2.04Å | ||
| 114 | P | 94.4 | Very high | 90.6 | Very high | 10 Ų | 10 | 63.4 Ų | 63.4 | 7% | 0.065 | 36% | 0.364 | C | S | . | . | trans | -70.7 | -26.3 | -163 | 28.9 | -34.8 | 0 | 0 | 0 | 113.5 | S112 L116 Y129 E141 | S112-P114 WeakPolarHBondContact OG-CD 3.07Å; P114-L116 PolarHBondContact O-N 3.31Å; P114-Y129 HydrophobicContact CB-CD1 4.46Å; P114-Y129 HydrophobicContact CB-CD2 4.23Å; P114-Y129 HydrophobicContact CB-CE1 3.86Å; P114-Y129 HydrophobicContact CB-CE2 3.64Å; P114-Y129 VanDerWaalsContact CB-CZ 3.43Å; P114-Y129 HydrophobicContact CG-CD1 3.93Å; P114-Y129 HydrophobicContact CG-CD2 3.59Å; P114-Y129 HydrophobicContact CG-CE1 3.84Å; P114-Y129 HydrophobicContact CG-CE2 3.54Å; P114-Y129 HydrophobicContact CG-CG 3.83Å; P114-E141 HydrophobicContact CB-CG 4.43Å; P114-E141 WeakPolarHBondContact O-CB 3.37Å | ||
| 115 | C | 96.4 | Very high | 90.4 | Very high | 20 Ų | 20 | 62.5 Ų | 62.5 | 14% | 0.135 | 36% | 0.358 | C | S | . | . | trans | -79.1 | 119.3 | -177.4 | -47.3 | 0 | 0 | 0 | 0 | 111.2 | R113 G119 C121 C131 | R113-C115 VanDerWaalsContact C-N 3.32Å; R113-C115 PolarHBondContact O-N 2.04Å; C115-G119 WeakPolarHBondContact CB-O 3.43Å; C115-C121 WeakPolarHBondContact SG-CA 3.21Å; C115-C121 WeakPolarHBondContact SG-CB 3.39Å; C115-C131 WeakPolarHBondContact CA-SG 3.01Å; C115-C131 HydrophobicContact CB-CB 3.8Å; C115-C131 WeakPolarHBondContact CB-SG 3.39Å; C115-C131 VanDerWaalsContact SG-CA 3.51Å; C115-C131 WeakPolarHBondContact SG-CB 3.02Å; C115-C131 CovalentContact SG-SG 2.03Å; C115-C131 PolarHBondContact SG-SG 3.01Å | ||
| 116 | L | 95.7 | Very high | 90.2 | Very high | 80 Ų | 80 | 69.2 Ų | 69.2 | 42% | 0.419 | 38% | 0.376 | S | S | . | . | trans | -91.2 | 174 | 179.2 | -56.9 | -177.5 | 0 | 0 | 0 | 111.6 | P114 G118 G119 E141 C142 Q143 | P114-L116 PolarHBondContact O-N 3.31Å; L116-G118 PolarHBondContact O-N 3.09Å; L116-G118 VanDerWaalsContact O-N 3.08Å; L116-G119 PolarHBondContact O-N 3.44Å; L116-E141 WeakPolarHBondContact CB-O 3.32Å; L116-E141 PolarHBondContact N-O 2.61Å; L116-C142 WeakPolarHBondContact O-CB 3.34Å; L116-Q143 HydrophobicContact CD1-CB 3.72Å | ||
| 117 | N | 95.3 | Very high | 90.2 | Very high | 76 Ų | 76 | 70.9 Ų | 70.9 | 41% | 0.406 | 38% | 0.381 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.3 | 35 | 172.9 | -61 | -49.8 | 0 | 0 | 0 | 114.7 | G119 F137 C142 | N117-G119 VanDerWaalsContact C-N 3.29Å; N117-G119 PolarHBondContact O-N 3.12Å; N117-F137 HydrophobicContact CB-CD1 3.48Å; N117-F137 VanDerWaalsContact CB-CD1 3.48Å; N117-F137 HydrophobicContact CB-CD2 3.94Å; N117-F137 HydrophobicContact CB-CE1 3.48Å; N117-F137 VanDerWaalsContact CB-CE1 3.48Å; N117-F137 HydrophobicContact CB-CE2 3.94Å; N117-F137 HydrophobicContact CB-CG 3.7Å; N117-F137 HydrophobicContact CB-CZ 3.71Å; N117-F137 VanDerWaalsContact CG-CD1 3.47Å; N117-F137 VanDerWaalsContact ND2-CD1 3.32Å; N117-F137 WeakPolarHBondContact ND2-CD1 3.24Å; N117-F137 WeakPolarHBondContact ND2-CE1 3.37Å; N117-C142 PolarHBondContact ND2-O 3.3Å |
| 118 | G | 94.6 | Very high | 90.4 | Very high | 55 Ų | 55 | 73 Ų | 73 | 57% | 0.567 | 40% | 0.395 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | 16.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | L116 Q134 | L116-G118 PolarHBondContact O-N 3.09Å; L116-G118 VanDerWaalsContact O-N 3.08Å; G118-Q134 VanDerWaalsContact O-CG 3.3Å; G118-Q134 WeakPolarHBondContact O-CG 3.45Å; G118-Q134 PolarHBondContact O-NE2 3.39Å |
| 119 | G | 96.6 | Very high | 90.7 | Very high | 15 Ų | 15 | 73.8 Ų | 73.8 | 16% | 0.155 | 40% | 0.396 | C | S | . | . | P | Polyproline II helix | trans | -62.3 | 146.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | C115 L116 N117 T132 | C115-G119 WeakPolarHBondContact CB-O 3.43Å; L116-G119 PolarHBondContact O-N 3.44Å; N117-G119 VanDerWaalsContact C-N 3.29Å; N117-G119 PolarHBondContact O-N 3.12Å; G119-T132 CarbonylContact C-O 3.3Å; G119-T132 VanDerWaalsContact CA-O 3.26Å; G119-T132 WeakPolarHBondContact CA-O 3.33Å |
| 120 | T | 96.1 | Very high | 90.9 | Very high | 76 Ų | 76 | 77.9 Ų | 77.9 | 47% | 0.466 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 131.1 | 178.3 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | C131 T132 | T120-C131 CarbonylContact O-C 3.45Å; T120-C131 WeakPolarHBondContact O-CA 3.26Å; T120-T132 WeakPolarHBondContact CB-OG1 3.38Å; T120-T132 PolarHBondContact N-O 3.18Å; T120-T132 PolarHBondContact O-N 3.32Å; T120-T132 PolarHBondContact O-OG1 3.31Å |
| 121 | C | 94.8 | Very high | 91.5 | Very high | 35 Ų | 35 | 75.4 Ų | 75.4 | 24% | 0.236 | 41% | 0.405 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.6 | -178.8 | -165.6 | 0 | 0 | 0 | 0 | 111.3 | C109 C115 | C109-C121 WeakPolarHBondContact CA-SG 3.47Å; C109-C121 HydrophobicContact CB-CB 3.55Å; C109-C121 WeakPolarHBondContact CB-SG 3.4Å; C109-C121 VanDerWaalsContact SG-C 3.57Å; C109-C121 WeakPolarHBondContact SG-CB 3.3Å; C109-C121 CovalentContact SG-SG 2.03Å; C109-C121 PolarHBondContact SG-SG 3.02Å; C115-C121 WeakPolarHBondContact SG-CA 3.21Å; C115-C121 WeakPolarHBondContact SG-CB 3.39Å |
| 122 | H | 93.7 | Very high | 92.1 | Very high | 80 Ų | 80 | 73.9 Ų | 73.9 | 37% | 0.37 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.8 | 131.8 | 174.5 | -57.9 | -74.5 | 0 | 0 | 0 | 109.7 | Y129 E130 T132 | H122-Y129 CarbonylContact O-C 3.54Å; H122-Y129 VanDerWaalsContact O-CA 3.25Å; H122-Y129 WeakPolarHBondContact O-CA 3.45Å; H122-E130 PolarHBondContact N-O 3.34Å; H122-E130 PolarHBondContact O-N 2.86Å; H122-T132 WeakPolarHBondContact NE2-CG2 3.46Å; H122-T132 PolarHBondContact NE2-OG1 2.95Å |
| 123 | M | 88.1 | Confident | 92.6 | Very high | 62 Ų | 62 | 72.5 Ų | 72.5 | 31% | 0.305 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -79.8 | 125.4 | 172.6 | -73.1 | -71.7 | -73.7 | 0 | 0 | 109.8 | H107 P108 C109 S125 | H107-M123 WeakPolarHBondContact CE1-CG 3.32Å; P108-M123 HydrophobicContact CB-SD 4.33Å; P108-M123 HydrophobicContact CG-CE 4.41Å; P108-M123 HydrophobicContact CG-SD 4.17Å; C109-M123 HydrophobicContact CB-SD 4.43Å; M123-S125 WeakPolarHBondContact CE-O 3.35Å |
| 124 | L | 88.1 | Confident | 92.8 | Very high | 112 Ų | 112 | 69.1 Ų | 69.1 | 59% | 0.586 | 38% | 0.377 | S | S | * | . | S | Bend | trans | -95.8 | -35.8 | 171.9 | -65.6 | -177.4 | 0 | 0 | 0 | 111.5 | T128 E130 | L124-T128 PolarHBondContact N-O 3.17Å; L124-E130 HydrophobicContact CD1-CB 3.82Å; L124-E130 HydrophobicContact CD2-CB 4.3Å; L124-E130 HydrophobicContact CG-CB 3.94Å |
| 125 | S | 86 | Confident | 92.8 | Very high | 60 Ų | 60 | 75.1 Ų | 75.1 | 42% | 0.42 | 41% | 0.414 | S | S | . | . | S | Bend | trans | -154 | -175.4 | 174 | 78.4 | 0 | 0 | 0 | 0 | 110.4 | M123 D127 T128 | M123-S125 WeakPolarHBondContact CE-O 3.35Å; S125-D127 PolarHBondContact O-N 3.21Å; S125-D127 VanDerWaalsContact O-N 3.15Å; S125-T128 WeakPolarHBondContact CB-OG1 3.3Å; S125-T128 PolarHBondContact N-O 2.02Å; S125-T128 PolarHBondContact N-OG1 2.04Å; S125-T128 PolarHBondContact O-N 3.37Å; S125-T128 PolarHBondContact OG-OG1 3.37Å |
| 126 | R | 81.4 | Confident | 92.6 | Very high | 205 Ų | 205 | 75 Ų | 75 | 77% | 0.774 | 42% | 0.416 | S | S | * | . | S | Bend | trans | -52.8 | -36.8 | -178.4 | -86 | -167.7 | -85.7 | -130.6 | -1.3 | 114 | P108 | P108-R126 WeakPolarHBondContact CD-O 3.37Š|
| 127 | D | 83.5 | Confident | 92.6 | Very high | 114 Ų | 114 | 74.1 Ų | 74.1 | 61% | 0.61 | 41% | 0.409 | S | S | * | . | S | Bend | trans | -120 | -0.4 | -174.4 | -52.3 | -70.4 | 0 | 0 | 0 | 113.1 | S125 | S125-D127 PolarHBondContact O-N 3.21Å; S125-D127 VanDerWaalsContact O-N 3.15Å |
| 128 | T | 89.7 | Confident | 92.5 | Very high | 68 Ų | 68 | 72.8 Ų | 72.8 | 42% | 0.417 | 40% | 0.403 | S | S | . | . | trans | -119 | 138.8 | -176.6 | 69.4 | 0 | 0 | 0 | 0 | 111.7 | L124 S125 | L124-T128 PolarHBondContact N-O 3.17Å; S125-T128 WeakPolarHBondContact CB-OG1 3.3Å; S125-T128 PolarHBondContact N-O 2.02Å; S125-T128 PolarHBondContact N-OG1 2.04Å; S125-T128 PolarHBondContact O-N 3.37Å; S125-T128 PolarHBondContact OG-OG1 3.37Å | ||
| 129 | Y | 92.5 | Very high | 92.4 | Very high | 35 Ų | 35 | 71.1 Ų | 71.1 | 14% | 0.137 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 160.8 | -179 | 71.6 | -92.3 | 0 | 0 | 0 | 110.3 | P108 P114 H122 E141 | P108-Y129 HydrophobicContact CB-CD1 3.94Å; P114-Y129 HydrophobicContact CB-CD1 4.46Å; P114-Y129 HydrophobicContact CB-CD2 4.23Å; P114-Y129 HydrophobicContact CB-CE1 3.86Å; P114-Y129 HydrophobicContact CB-CE2 3.64Å; P114-Y129 VanDerWaalsContact CB-CZ 3.43Å; P114-Y129 HydrophobicContact CG-CD1 3.93Å; P114-Y129 HydrophobicContact CG-CD2 3.59Å; P114-Y129 HydrophobicContact CG-CE1 3.84Å; P114-Y129 HydrophobicContact CG-CE2 3.54Å; P114-Y129 HydrophobicContact CG-CG 3.83Å; H122-Y129 CarbonylContact O-C 3.54Å; H122-Y129 VanDerWaalsContact O-CA 3.25Å; H122-Y129 WeakPolarHBondContact O-CA 3.45Å; Y129-E141 HydrophobicContact CE2-CG 4.44Å; Y129-E141 VanDerWaalsContact OH-CG 3.3Å; Y129-E141 WeakPolarHBondContact OH-CG 3.42Å; Y129-E141 PolarHBondContact OH-OE1 2.87Å |
| 130 | E | 95.8 | Very high | 92.3 | Very high | 106 Ų | 106 | 77.6 Ų | 77.6 | 50% | 0.495 | 41% | 0.41 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 134.5 | 171.1 | 179.9 | 171.7 | -150.9 | 0 | 0 | 108.9 | H122 L124 | H122-E130 PolarHBondContact N-O 3.34Å; H122-E130 PolarHBondContact O-N 2.86Å; L124-E130 HydrophobicContact CD1-CB 3.82Å; L124-E130 HydrophobicContact CD2-CB 4.3Å; L124-E130 HydrophobicContact CG-CB 3.94Å |
| 131 | C | 97.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 77.4 Ų | 77.4 | 12% | 0.122 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 127.2 | 175.7 | -65.4 | 0 | 0 | 0 | 0 | 110.2 | C115 T120 K140 | C115-C131 WeakPolarHBondContact CA-SG 3.01Å; C115-C131 HydrophobicContact CB-CB 3.8Å; C115-C131 WeakPolarHBondContact CB-SG 3.39Å; C115-C131 VanDerWaalsContact SG-CA 3.51Å; C115-C131 WeakPolarHBondContact SG-CB 3.02Å; C115-C131 CovalentContact SG-SG 2.03Å; C115-C131 PolarHBondContact SG-SG 3.01Å; T120-C131 CarbonylContact O-C 3.45Å; T120-C131 WeakPolarHBondContact O-CA 3.26Å; C131-K140 WeakPolarHBondContact CB-O 3.21Å; C131-K140 PolarHBondContact SG-O 2.7Å |
| 132 | T | 97.4 | Very high | 92.3 | Very high | 65 Ų | 65 | 75.8 Ų | 75.8 | 40% | 0.399 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 118.6 | 163.8 | 49.7 | 0 | 0 | 0 | 0 | 109.1 | G119 T120 H122 | G119-T132 CarbonylContact C-O 3.3Å; G119-T132 VanDerWaalsContact CA-O 3.26Å; G119-T132 WeakPolarHBondContact CA-O 3.33Å; T120-T132 WeakPolarHBondContact CB-OG1 3.38Å; T120-T132 PolarHBondContact N-O 3.18Å; T120-T132 PolarHBondContact O-N 3.32Å; T120-T132 PolarHBondContact O-OG1 3.31Å; H122-T132 WeakPolarHBondContact NE2-CG2 3.46Å; H122-T132 PolarHBondContact NE2-OG1 2.95Å |
| 133 | C | 96.3 | Very high | 92.4 | Very high | 47 Ų | 47 | 74.8 Ų | 74.8 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 144.6 | -175.4 | -55 | 0 | 0 | 0 | 0 | 112.2 | F137 C142 | C133-F137 HydrophobicContact CB-CB 4.3Å; C133-F137 WeakPolarHBondContact CB-O 3.39Å; C133-C142 WeakPolarHBondContact CA-SG 3.06Å; C133-C142 HydrophobicContact CB-CB 3.75Å; C133-C142 WeakPolarHBondContact CB-SG 3.4Å; C133-C142 WeakPolarHBondContact SG-CA 3.41Å; C133-C142 WeakPolarHBondContact SG-CB 3.48Å; C133-C142 CovalentContact SG-SG 2.04Å; C133-C142 PolarHBondContact SG-SG 3.35Å |
| 134 | Q | 95.8 | Very high | 92.7 | Very high | 112 Ų | 112 | 75.5 Ų | 75.5 | 52% | 0.523 | 39% | 0.388 | S | S | . | . | P | Polyproline II helix | trans | -62 | 157 | 166 | -70.3 | -89.5 | -18.2 | 0 | 0 | 110 | G118 G136 F137 | G118-Q134 VanDerWaalsContact O-CG 3.3Å; G118-Q134 WeakPolarHBondContact O-CG 3.45Å; G118-Q134 PolarHBondContact O-NE2 3.39Å; Q134-G136 PolarHBondContact O-N 3.36Å; Q134-F137 HydrophobicContact CB-CD2 4.16Å; Q134-F137 PolarHBondContact O-N 2.83Å; Q134-F137 VanDerWaalsContact O-N 3.13Å |
| 135 | V | 92.6 | Very high | 92.9 | Very high | 137 Ų | 137 | 74 Ų | 74 | 83% | 0.83 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | 132 | 176 | 177.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 136 | G | 92.8 | Very high | 93.2 | Very high | 18 Ų | 18 | 73.3 Ų | 73.3 | 19% | 0.186 | 38% | 0.375 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.3 | 4.9 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q134 D146 | Q134-G136 PolarHBondContact O-N 3.36Å; G136-D146 PolarHBondContact O-N 2.79Å |
| 137 | F | 95 | Very high | 93.6 | Very high | 61 Ų | 61 | 64 Ų | 64 | 27% | 0.268 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125 | 153.4 | 172.3 | -61.8 | -84.2 | 0 | 0 | 0 | 112 | N117 C133 Q134 C142 W144 | N117-F137 HydrophobicContact CB-CD1 3.48Å; N117-F137 VanDerWaalsContact CB-CD1 3.48Å; N117-F137 HydrophobicContact CB-CD2 3.94Å; N117-F137 HydrophobicContact CB-CE1 3.48Å; N117-F137 VanDerWaalsContact CB-CE1 3.48Å; N117-F137 HydrophobicContact CB-CE2 3.94Å; N117-F137 HydrophobicContact CB-CG 3.7Å; N117-F137 HydrophobicContact CB-CZ 3.71Å; N117-F137 VanDerWaalsContact CG-CD1 3.47Å; N117-F137 VanDerWaalsContact ND2-CD1 3.32Å; N117-F137 WeakPolarHBondContact ND2-CD1 3.24Å; N117-F137 WeakPolarHBondContact ND2-CE1 3.37Å; C133-F137 HydrophobicContact CB-CB 4.3Å; C133-F137 WeakPolarHBondContact CB-O 3.39Å; Q134-F137 HydrophobicContact CB-CD2 4.16Å; Q134-F137 PolarHBondContact O-N 2.83Å; Q134-F137 VanDerWaalsContact O-N 3.13Å; F137-C142 HydrophobicContact CB-CB 4.39Å; F137-W144 CarbonylContact C-O 3.26Å; F137-W144 WeakPolarHBondContact CA-O 3.48Å |
| 138 | T | 93.3 | Very high | 94 | Very high | 47 Ų | 47 | 59.3 Ų | 59.3 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 176 | -176.6 | -169.8 | 0 | 0 | 0 | 0 | 111.4 | C142 Q143 W144 T161 | T138-C142 CarbonylContact O-C 3.58Å; T138-C142 WeakPolarHBondContact O-CA 3.3Å; T138-Q143 PolarHBondContact O-N 3.47Å; T138-W144 HydrophobicContact CG2-CB 3.91Å; T138-W144 HydrophobicContact CG2-CE3 4.49Å; T138-W144 PolarHBondContact N-O 3.13Å; T138-W144 PolarHBondContact O-N 3.41Å; T138-T161 HydrophobicContact CG2-CG2 3.54Å |
| 139 | G | 93.1 | Very high | 93.8 | Very high | 21 Ų | 21 | 61.6 Ų | 61.6 | 22% | 0.216 | 33% | 0.328 | C | S | . | . | S | Bend | trans | 93.8 | 164.4 | -172.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | E141 C142 | G139-E141 PolarHBondContact O-N 3.5Å; G139-C142 PolarHBondContact O-N 3.46Å |
| 140 | K | 94.2 | Very high | 93.5 | Very high | 150 Ų | 150 | 64 Ų | 64 | 65% | 0.652 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -33.3 | -176.4 | -176.2 | -176.4 | 174.4 | -171.3 | 0 | 113.3 | C131 | C131-K140 WeakPolarHBondContact CB-O 3.21Å; C131-K140 PolarHBondContact SG-O 2.7Å |
| 141 | E | 95.4 | Very high | 92.8 | Very high | 73 Ų | 73 | 62 Ų | 62 | 34% | 0.341 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | 14.6 | -177.7 | -70.9 | 177.9 | 179.8 | 0 | 0 | 111.2 | P114 L116 Y129 G139 Q143 | P114-E141 HydrophobicContact CB-CG 4.43Å; P114-E141 WeakPolarHBondContact O-CB 3.37Å; L116-E141 WeakPolarHBondContact CB-O 3.32Å; L116-E141 PolarHBondContact N-O 2.61Å; Y129-E141 HydrophobicContact CE2-CG 4.44Å; Y129-E141 VanDerWaalsContact OH-CG 3.3Å; Y129-E141 WeakPolarHBondContact OH-CG 3.42Å; Y129-E141 PolarHBondContact OH-OE1 2.87Å; G139-E141 PolarHBondContact O-N 3.5Å; E141-Q143 PolarHBondContact O-N 3.11Å; E141-Q143 VanDerWaalsContact O-N 3.15Å |
| 142 | C | 96.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 37% | 0.369 | C | S | . | . | S | Bend | trans | 56.1 | 27.1 | -174.5 | -49.9 | 0 | 0 | 0 | 0 | 113.3 | L116 N117 C133 F137 T138 G139 W144 | L116-C142 WeakPolarHBondContact O-CB 3.34Å; N117-C142 PolarHBondContact ND2-O 3.3Å; C133-C142 WeakPolarHBondContact CA-SG 3.06Å; C133-C142 HydrophobicContact CB-CB 3.75Å; C133-C142 WeakPolarHBondContact CB-SG 3.4Å; C133-C142 WeakPolarHBondContact SG-CA 3.41Å; C133-C142 WeakPolarHBondContact SG-CB 3.48Å; C133-C142 CovalentContact SG-SG 2.04Å; C133-C142 PolarHBondContact SG-SG 3.35Å; F137-C142 HydrophobicContact CB-CB 4.39Å; T138-C142 CarbonylContact O-C 3.58Å; T138-C142 WeakPolarHBondContact O-CA 3.3Å; G139-C142 PolarHBondContact O-N 3.46Å; C142-W144 VanDerWaalsContact C-N 3.33Å |
| 143 | Q | 95.1 | Very high | 92.1 | Very high | 60 Ų | 60 | 65.7 Ų | 65.7 | 28% | 0.28 | 36% | 0.357 | S | S | . | . | trans | -78.7 | -17.6 | -172.3 | 73.4 | -84.6 | 25.1 | 0 | 0 | 113.3 | L116 T138 E141 | L116-Q143 HydrophobicContact CD1-CB 3.72Å; T138-Q143 PolarHBondContact O-N 3.47Å; E141-Q143 PolarHBondContact O-N 3.11Å; E141-Q143 VanDerWaalsContact O-N 3.15Å | ||
| 144 | W | 94.1 | Very high | 92 | Very high | 76 Ų | 76 | 65 Ų | 65 | 29% | 0.288 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 138.1 | -177.1 | -58.8 | -35.2 | 0 | 0 | 0 | 111.8 | F137 T138 C142 T161 A163 N164 | F137-W144 CarbonylContact C-O 3.26Å; F137-W144 WeakPolarHBondContact CA-O 3.48Å; T138-W144 HydrophobicContact CG2-CB 3.91Å; T138-W144 HydrophobicContact CG2-CE3 4.49Å; T138-W144 PolarHBondContact N-O 3.13Å; T138-W144 PolarHBondContact O-N 3.41Å; C142-W144 VanDerWaalsContact C-N 3.33Å; W144-T161 HydrophobicContact CB-CG2 4.32Å; W144-A163 HydrophobicContact CZ2-CB 4.46Å; W144-N164 WeakPolarHBondContact CA-OD1 3.42Å; W144-N164 VanDerWaalsContact CB-OD1 3.31Å; W144-N164 WeakPolarHBondContact CB-OD1 3.24Å |
| 145 | T | 93.6 | Very high | 91.8 | Very high | 82 Ų | 82 | 63.3 Ų | 63.3 | 50% | 0.503 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74 | 134 | 165.9 | -56.8 | 0 | 0 | 0 | 0 | 108.5 | A147 T161 N164 | T145-A147 PolarHBondContact O-N 2.9Å; T145-T161 WeakPolarHBondContact O-CG2 3.04Å; T145-N164 PolarHBondContact N-OD1 2.9Å |
| 146 | D | 91.7 | Very high | 91.7 | Very high | 44 Ų | 44 | 60.1 Ų | 60.1 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | trans | -69.7 | 97.4 | -179 | -170.3 | 7 | 0 | 0 | 0 | 111.3 | G136 C148 L149 T161 | G136-D146 PolarHBondContact O-N 2.79Å; D146-C148 PolarHBondContact O-N 2.95Å; D146-C148 WeakPolarHBondContact OD1-CB 3.01Å; D146-C148 PolarHBondContact OD1-N 3.28Å; D146-L149 HydrophobicContact CB-CD1 4.25Å; D146-L149 HydrophobicContact CB-CG 4.21Å; D146-L149 PolarHBondContact O-N 3.25Å; D146-T161 PolarHBondContact OD1-OG1 3.31Å | ||
| 147 | A | 89.8 | Confident | 91.7 | Very high | 10 Ų | 10 | 60 Ų | 60 | 8% | 0.083 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -66.6 | -23.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T145 L149 S150 H151 T161 F166 | T145-A147 PolarHBondContact O-N 2.9Å; A147-L149 PolarHBondContact O-N 3.19Å; A147-S150 PolarHBondContact O-N 3.13Å; A147-S150 PolarHBondContact O-OG 2.81Å; A147-H151 PolarHBondContact O-N 3.33Å; A147-H151 VanDerWaalsContact O-N 3.17Å; A147-H151 PolarHBondContact O-ND1 3.33Å; A147-T161 HydrophobicContact CB-CG2 4.21Å; A147-T161 PolarHBondContact N-OG1 3.15Å; A147-F166 HydrophobicContact CB-CB 3.89Å |
| 148 | C | 91.5 | Very high | 91.6 | Very high | 16 Ų | 16 | 61.3 Ų | 61.3 | 11% | 0.108 | 35% | 0.353 | C | S | . | . | G | 310 helix | trans | -67.5 | -21.2 | 179 | -69.7 | 0 | 0 | 0 | 0 | 113.6 | D146 S150 C159 T160 T161 | D146-C148 PolarHBondContact O-N 2.95Å; D146-C148 WeakPolarHBondContact OD1-CB 3.01Å; D146-C148 PolarHBondContact OD1-N 3.28Å; C148-S150 PolarHBondContact O-N 2.82Å; C148-C159 VanDerWaalsContact CA-SG 3.5Å; C148-C159 HydrophobicContact CB-CB 3.8Å; C148-C159 WeakPolarHBondContact CB-SG 3.35Å; C148-C159 WeakPolarHBondContact SG-CB 2.99Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 2.79Å; C148-T160 PolarHBondContact SG-N 3Å; C148-T161 PolarHBondContact N-OG1 3.07Å |
| 149 | L | 87 | Confident | 91.7 | Very high | 116 Ų | 116 | 60.8 Ų | 60.8 | 61% | 0.607 | 35% | 0.351 | S | S | * | . | G | 310 helix | trans | -66.3 | -27.2 | 174.4 | -68.8 | 179.4 | 0 | 0 | 0 | 113 | D146 A147 | D146-L149 HydrophobicContact CB-CD1 4.25Å; D146-L149 HydrophobicContact CB-CG 4.21Å; D146-L149 PolarHBondContact O-N 3.25Å; A147-L149 PolarHBondContact O-N 3.19Å |
| 150 | S | 84.5 | Confident | 91.7 | Very high | 86 Ų | 86 | 63.1 Ų | 63.1 | 60% | 0.601 | 36% | 0.361 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | -18.9 | -179.8 | 54.1 | 0 | 0 | 0 | 0 | 113.4 | A147 C148 | A147-S150 PolarHBondContact O-N 3.13Å; A147-S150 PolarHBondContact O-OG 2.81Å; C148-S150 PolarHBondContact O-N 2.82Å |
| 151 | H | 81.4 | Confident | 91.5 | Very high | 63 Ų | 63 | 56.8 Ų | 56.8 | 29% | 0.292 | 34% | 0.335 | S | S | . | . | trans | -126.8 | 81.2 | -175.6 | -61.6 | 85 | 0 | 0 | 0 | 110.5 | A147 C153 F166 | A147-H151 PolarHBondContact O-N 3.33Å; A147-H151 VanDerWaalsContact O-N 3.17Å; A147-H151 PolarHBondContact O-ND1 3.33Å; H151-C153 PolarHBondContact O-N 3.47Å; H151-F166 HydrophobicContact CB-CB 3.97Å; H151-F166 HydrophobicContact CB-CD1 3.52Å; H151-F166 HydrophobicContact CB-CD2 3.79Å; H151-F166 HydrophobicContact CB-CE1 3.88Å; H151-F166 HydrophobicContact CB-CE2 4.13Å; H151-F166 HydrophobicContact CB-CG 3.47Å; H151-F166 VanDerWaalsContact CB-CG 3.47Å; H151-F166 HydrophobicContact CB-CZ 4.17Å; H151-F166 AromaticContact CD2-CD1 3.67Å; H151-F166 AromaticContact CD2-CE1 3.33Å; H151-F166 WeakPolarHBondContact CD2-CE1 3.34Å; H151-F166 AromaticContact CD2-CZ 3.91Å; H151-F166 AromaticContact CG-CD1 3.38Å; H151-F166 AromaticContact CG-CE1 3.56Å; H151-F166 AromaticContact CG-CG 3.9Å; H151-F166 AromaticContact ND1-CD1 3.81Å; H151-F166 AromaticContact NE2-CE1 3.96Å | ||
| 152 | L | 86.7 | Confident | 91 | Very high | 140 Ų | 140 | 57 Ų | 57 | 73% | 0.733 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -71.3 | 130.1 | 174.1 | -63.5 | 175.6 | 0 | 0 | 0 | 110.3 | ||
| 153 | C | 93.9 | Very high | 90.5 | Very high | 21 Ų | 21 | 59.7 Ų | 59.7 | 14% | 0.142 | 36% | 0.363 | C | S | . | . | P | Polyproline II helix | trans | -75.1 | 142 | 171.4 | -46.4 | 0 | 0 | 0 | 0 | 110.1 | H151 S157 C159 C168 | H151-C153 PolarHBondContact O-N 3.47Å; C153-S157 WeakPolarHBondContact CB-OG 3.37Å; C153-C159 VanDerWaalsContact SG-CA 3.58Å; C153-C159 WeakPolarHBondContact SG-CB 3.4Å; C153-C168 HydrophobicContact CB-CB 3.7Å; C153-C168 WeakPolarHBondContact CB-SG 3.46Å; C153-C168 VanDerWaalsContact SG-CA 3.51Å; C153-C168 WeakPolarHBondContact SG-CB 2.95Å; C153-C168 CovalentContact SG-SG 2.02Å; C153-C168 PolarHBondContact SG-SG 3.44Å |
| 154 | A | 93.6 | Very high | 90.1 | Very high | 33 Ų | 33 | 61.1 Ų | 61.1 | 27% | 0.273 | 37% | 0.373 | S | S | . | . | S | Bend | trans | -82.3 | 170.7 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G156 S157 K178 E180 | A154-G156 PolarHBondContact O-N 2.94Å; A154-G156 VanDerWaalsContact O-N 3.09Å; A154-S157 WeakPolarHBondContact O-CB 3.5Å; A154-S157 PolarHBondContact O-N 3.08Å; A154-S157 VanDerWaalsContact O-N 3.12Å; A154-S157 PolarHBondContact O-OG 3.46Å; A154-K178 WeakPolarHBondContact CB-O 3.33Å; A154-K178 PolarHBondContact N-O 2.84Å; A154-E180 HydrophobicContact CB-CB 4.19Å |
| 155 | N | 92.4 | Very high | 89.8 | Confident | 75 Ų | 75 | 64.4 Ų | 64.4 | 40% | 0.401 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.3 | 31.8 | 170.9 | -58.9 | -45.9 | 0 | 0 | 0 | 114.6 | S157 L171 F174 C179 | N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.94Å; N155-L171 WeakPolarHBondContact O-CD1 3.42Å; N155-F174 HydrophobicContact CB-CD1 3.94Å; N155-F174 HydrophobicContact CB-CD2 4.02Å; N155-F174 HydrophobicContact CB-CE1 3.87Å; N155-F174 HydrophobicContact CB-CE2 3.94Å; N155-F174 HydrophobicContact CB-CG 4.01Å; N155-F174 HydrophobicContact CB-CZ 3.86Å; N155-F174 WeakPolarHBondContact ND2-CD1 3.33Å; N155-F174 VanDerWaalsContact ND2-CE1 3.33Å; N155-F174 WeakPolarHBondContact ND2-CE1 3.04Å; N155-C179 PolarHBondContact ND2-O 2.79Å |
| 156 | G | 89.5 | Confident | 89.8 | Confident | 70 Ų | 70 | 62 Ų | 62 | 72% | 0.722 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.2 | 16.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.8 | A154 | A154-G156 PolarHBondContact O-N 2.94Å; A154-G156 VanDerWaalsContact O-N 3.09Å |
| 157 | S | 93.5 | Very high | 89.8 | Confident | 17 Ų | 17 | 62.7 Ų | 62.7 | 12% | 0.119 | 38% | 0.383 | C | S | . | . | P | Polyproline II helix | trans | -70.7 | 159.5 | 178.4 | 53.9 | 0 | 0 | 0 | 0 | 113.1 | C153 A154 N155 K169 | C153-S157 WeakPolarHBondContact CB-OG 3.37Å; A154-S157 WeakPolarHBondContact O-CB 3.5Å; A154-S157 PolarHBondContact O-N 3.08Å; A154-S157 VanDerWaalsContact O-N 3.12Å; A154-S157 PolarHBondContact O-OG 3.46Å; N155-S157 VanDerWaalsContact C-N 3.26Å; N155-S157 PolarHBondContact O-N 2.94Å; S157-K169 VanDerWaalsContact CB-O 3.25Å; S157-K169 WeakPolarHBondContact CB-O 3.25Å |
| 158 | T | 93.9 | Very high | 90.1 | Very high | 87 Ų | 87 | 63.2 Ų | 63.2 | 53% | 0.534 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 128.3 | -178.4 | -51.9 | 0 | 0 | 0 | 0 | 110.8 | K169 | T158-K169 PolarHBondContact N-O 2.89Å; T158-K169 PolarHBondContact O-N 2.95Å |
| 159 | C | 94.4 | Very high | 90.2 | Very high | 36 Ų | 36 | 70.1 Ų | 70.1 | 24% | 0.243 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 136.7 | 172.7 | -166.9 | 0 | 0 | 0 | 0 | 111.2 | C148 C153 | C148-C159 VanDerWaalsContact CA-SG 3.5Å; C148-C159 HydrophobicContact CB-CB 3.8Å; C148-C159 WeakPolarHBondContact CB-SG 3.35Å; C148-C159 WeakPolarHBondContact SG-CB 2.99Å; C148-C159 CovalentContact SG-SG 2.04Å; C148-C159 PolarHBondContact SG-SG 2.79Å; C153-C159 VanDerWaalsContact SG-CA 3.58Å; C153-C159 WeakPolarHBondContact SG-CB 3.4Å |
| 160 | T | 92.7 | Very high | 90.7 | Very high | 70 Ų | 70 | 66.5 Ų | 66.5 | 43% | 0.429 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 143.3 | 167.3 | 59.9 | 0 | 0 | 0 | 0 | 110.6 | C148 F166 S167 | C148-T160 PolarHBondContact SG-N 3Å; T160-F166 CarbonylContact O-C 3.39Å; T160-S167 PolarHBondContact N-O 2.94Å; T160-S167 PolarHBondContact O-N 3.26Å; T160-S167 PolarHBondContact OG1-O 2.86Å |
| 161 | T | 91.2 | Very high | 91.1 | Very high | 17 Ų | 17 | 66.7 Ų | 66.7 | 10% | 0.104 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 122.4 | 172.6 | -68.9 | 0 | 0 | 0 | 0 | 109 | T138 W144 T145 D146 A147 C148 Q165 | T138-T161 HydrophobicContact CG2-CG2 3.54Å; W144-T161 HydrophobicContact CB-CG2 4.32Å; T145-T161 WeakPolarHBondContact O-CG2 3.04Å; D146-T161 PolarHBondContact OD1-OG1 3.31Å; A147-T161 HydrophobicContact CB-CG2 4.21Å; A147-T161 PolarHBondContact N-OG1 3.15Å; C148-T161 PolarHBondContact N-OG1 3.07Å; T161-Q165 CarbonylContact C-O 3.57Å; T161-Q165 WeakPolarHBondContact CA-O 2.86Å |
| 162 | V | 85.1 | Confident | 91.7 | Very high | 78 Ų | 78 | 70.2 Ų | 70.2 | 47% | 0.473 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 120.5 | 175.7 | -175.9 | 0 | 0 | 0 | 0 | 108 | N164 Q165 | V162-N164 PolarHBondContact O-N 3.46Å; V162-Q165 PolarHBondContact N-O 2.89Å; V162-Q165 WeakPolarHBondContact O-CB 3.42Å; V162-Q165 PolarHBondContact O-N 3.41Å |
| 163 | A | 85.9 | Confident | 92.1 | Very high | 56 Ų | 56 | 64 Ų | 64 | 46% | 0.463 | 39% | 0.387 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 50.7 | 49 | 175.7 | 0 | 0 | 0 | 0 | 0 | 114.4 | W144 Q165 | W144-A163 HydrophobicContact CZ2-CB 4.46Å; A163-Q165 PolarHBondContact O-N 2.04Å |
| 164 | N | 85 | Confident | 92.3 | Very high | 91 Ų | 91 | 64.7 Ų | 64.7 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.3 | 9.2 | -175.1 | -62.2 | -32.1 | 0 | 0 | 0 | 115.8 | W144 T145 V162 | W144-N164 WeakPolarHBondContact CA-OD1 3.42Å; W144-N164 VanDerWaalsContact CB-OD1 3.31Å; W144-N164 WeakPolarHBondContact CB-OD1 3.24Å; T145-N164 PolarHBondContact N-OD1 2.9Å; V162-N164 PolarHBondContact O-N 3.46Å |
| 165 | Q | 89.5 | Confident | 92.4 | Very high | 145 Ų | 145 | 66.6 Ų | 66.6 | 68% | 0.678 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.2 | 147.4 | 174.7 | -62.5 | -177.7 | 2.1 | 0 | 0 | 110.1 | T161 V162 A163 | T161-Q165 CarbonylContact C-O 3.57Å; T161-Q165 WeakPolarHBondContact CA-O 2.86Å; V162-Q165 PolarHBondContact N-O 2.89Å; V162-Q165 WeakPolarHBondContact O-CB 3.42Å; V162-Q165 PolarHBondContact O-N 3.41Å; A163-Q165 PolarHBondContact O-N 2.04Å |
| 166 | F | 92 | Very high | 92.5 | Very high | 30 Ų | 30 | 64.5 Ų | 64.5 | 13% | 0.132 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.1 | 144.3 | 170.8 | 77.8 | -84.2 | 0 | 0 | 0 | 109.4 | A147 H151 T160 Q177 K178 | A147-F166 HydrophobicContact CB-CB 3.89Å; H151-F166 HydrophobicContact CB-CB 3.97Å; H151-F166 HydrophobicContact CB-CD1 3.52Å; H151-F166 HydrophobicContact CB-CD2 3.79Å; H151-F166 HydrophobicContact CB-CE1 3.88Å; H151-F166 HydrophobicContact CB-CE2 4.13Å; H151-F166 HydrophobicContact CB-CG 3.47Å; H151-F166 VanDerWaalsContact CB-CG 3.47Å; H151-F166 HydrophobicContact CB-CZ 4.17Å; H151-F166 AromaticContact CD2-CD1 3.67Å; H151-F166 AromaticContact CD2-CE1 3.33Å; H151-F166 WeakPolarHBondContact CD2-CE1 3.34Å; H151-F166 AromaticContact CD2-CZ 3.91Å; H151-F166 AromaticContact CG-CD1 3.38Å; H151-F166 AromaticContact CG-CE1 3.56Å; H151-F166 AromaticContact CG-CG 3.9Å; H151-F166 AromaticContact ND1-CD1 3.81Å; H151-F166 AromaticContact NE2-CE1 3.96Å; T160-F166 CarbonylContact O-C 3.39Å; F166-Q177 HydrophobicContact CE2-CG 3.96Å; F166-Q177 HydrophobicContact CZ-CG 3.77Å; F166-K178 HydrophobicContact CE2-CG 3.84Å; F166-K178 HydrophobicContact CZ-CG 4.12Å |
| 167 | S | 92.8 | Very high | 92.6 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 42% | 0.42 | 39% | 0.389 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 125.2 | 172.1 | -174.9 | 0 | 0 | 0 | 0 | 108.6 | T160 | T160-S167 PolarHBondContact N-O 2.94Å; T160-S167 PolarHBondContact O-N 3.26Å; T160-S167 PolarHBondContact OG1-O 2.86Å |
| 168 | C | 95.1 | Very high | 92.7 | Very high | 20 Ų | 20 | 70.4 Ų | 70.4 | 14% | 0.135 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 125.8 | 179.2 | -64.4 | 0 | 0 | 0 | 0 | 110.2 | C153 Q177 C179 | C153-C168 HydrophobicContact CB-CB 3.7Å; C153-C168 WeakPolarHBondContact CB-SG 3.46Å; C153-C168 VanDerWaalsContact SG-CA 3.51Å; C153-C168 WeakPolarHBondContact SG-CB 2.95Å; C153-C168 CovalentContact SG-SG 2.02Å; C153-C168 PolarHBondContact SG-SG 3.44Å; C168-Q177 WeakPolarHBondContact CB-O 3.34Å; C168-Q177 PolarHBondContact SG-O 3.43Å; C168-C179 VanDerWaalsContact CB-SG 3.57Å |
| 169 | K | 95.1 | Very high | 92.8 | Very high | 162 Ų | 162 | 66.3 Ų | 66.3 | 70% | 0.704 | 37% | 0.373 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 102.6 | 168.2 | -175.9 | -178 | 177.6 | -177.6 | 0 | 109.3 | S157 T158 | S157-K169 VanDerWaalsContact CB-O 3.25Å; S157-K169 WeakPolarHBondContact CB-O 3.25Å; T158-K169 PolarHBondContact N-O 2.89Å; T158-K169 PolarHBondContact O-N 2.95Å |
| 170 | C | 95.6 | Very high | 92.8 | Very high | 40 Ų | 40 | 69.5 Ų | 69.5 | 27% | 0.27 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -66.8 | 143.4 | -179.2 | -52.4 | 0 | 0 | 0 | 0 | 112.2 | F174 C179 | C170-F174 HydrophobicContact CB-CB 4.43Å; C170-F174 WeakPolarHBondContact CB-O 3.44Å; C170-C179 WeakPolarHBondContact CA-SG 2.99Å; C170-C179 HydrophobicContact CB-CB 3.67Å; C170-C179 WeakPolarHBondContact CB-SG 3.13Å; C170-C179 PolarHBondContact N-SG 3.42Å; C170-C179 WeakPolarHBondContact SG-CA 3.32Å; C170-C179 WeakPolarHBondContact SG-CB 3.29Å; C170-C179 CovalentContact SG-SG 2.04Å; C170-C179 PolarHBondContact SG-SG 3.17Å |
| 171 | L | 94.8 | Very high | 93 | Very high | 90 Ų | 90 | 69.5 Ų | 69.5 | 47% | 0.471 | 38% | 0.384 | S | S | . | . | P | Polyproline II helix | trans | -69.3 | 158.6 | 164.8 | -65.9 | 177.8 | 0 | 0 | 0 | 109.2 | N155 G173 F174 | N155-L171 WeakPolarHBondContact O-CD1 3.42Å; L171-G173 PolarHBondContact O-N 3.37Å; L171-F174 HydrophobicContact CB-CD2 4.19Å; L171-F174 PolarHBondContact O-N 3.43Å; L171-F174 VanDerWaalsContact O-N 3.16Å |
| 172 | T | 93.9 | Very high | 93.2 | Very high | 136 Ų | 136 | 71 Ų | 71 | 83% | 0.834 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.8 | 136.9 | 173.1 | -46.9 | 0 | 0 | 0 | 0 | 110.2 | F174 | T172-F174 VanDerWaalsContact C-N 3.35Š|
| 173 | G | 95 | Very high | 93.7 | Very high | 9 Ų | 9 | 69.7 Ų | 69.7 | 9% | 0.093 | 38% | 0.384 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 85.2 | 0.2 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | L171 V183 E185 | L171-G173 PolarHBondContact O-N 3.37Å; G173-V183 WeakPolarHBondContact O-CB 3.2Å; G173-V183 PolarHBondContact O-N 3.05Å; G173-E185 WeakPolarHBondContact CA-OE1 3.31Å |
| 174 | F | 97.3 | Very high | 94.2 | Very high | 36 Ų | 36 | 69.6 Ų | 69.6 | 16% | 0.158 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 149.4 | 174.9 | -61.2 | -78.1 | 0 | 0 | 0 | 112.2 | N155 C170 L171 T172 C179 T181 | N155-F174 HydrophobicContact CB-CD1 3.94Å; N155-F174 HydrophobicContact CB-CD2 4.02Å; N155-F174 HydrophobicContact CB-CE1 3.87Å; N155-F174 HydrophobicContact CB-CE2 3.94Å; N155-F174 HydrophobicContact CB-CG 4.01Å; N155-F174 HydrophobicContact CB-CZ 3.86Å; N155-F174 WeakPolarHBondContact ND2-CD1 3.33Å; N155-F174 VanDerWaalsContact ND2-CE1 3.33Å; N155-F174 WeakPolarHBondContact ND2-CE1 3.04Å; C170-F174 HydrophobicContact CB-CB 4.43Å; C170-F174 WeakPolarHBondContact CB-O 3.44Å; L171-F174 HydrophobicContact CB-CD2 4.19Å; L171-F174 PolarHBondContact O-N 3.43Å; L171-F174 VanDerWaalsContact O-N 3.16Å; T172-F174 VanDerWaalsContact C-N 3.35Å; F174-C179 HydrophobicContact CB-CB 4.38Å; F174-T181 CarbonylContact C-O 3.56Å; F174-T181 WeakPolarHBondContact CA-O 2.99Å |
| 175 | T | 95.5 | Very high | 94.6 | Very high | 73 Ų | 73 | 66.3 Ų | 66.3 | 45% | 0.448 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 177.2 | -179 | -167.2 | 0 | 0 | 0 | 0 | 111.3 | C179 E180 T181 V183 | T175-C179 CarbonylContact O-C 3.56Å; T175-C179 VanDerWaalsContact O-CA 3.27Å; T175-C179 WeakPolarHBondContact O-CA 3.35Å; T175-E180 PolarHBondContact O-N 3.08Å; T175-T181 HydrophobicContact CG2-CG2 3.88Å; T175-T181 PolarHBondContact N-O 2.79Å; T175-T181 WeakPolarHBondContact O-CB 3.24Å; T175-T181 PolarHBondContact O-N 3.31Å; T175-V183 HydrophobicContact CG2-CG2 3.84Å |
| 176 | G | 94.6 | Very high | 94.8 | Very high | 32 Ų | 32 | 61 Ų | 61 | 33% | 0.33 | 34% | 0.336 | S | S | . | . | S | Bend | trans | 97.6 | 166.7 | -173.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | K178 C179 | G176-K178 PolarHBondContact O-N 3.37Å; G176-C179 PolarHBondContact O-N 2.87Å; G176-C179 VanDerWaalsContact O-N 3.16Å |
| 177 | Q | 92.8 | Very high | 94.8 | Very high | 138 Ų | 138 | 65.6 Ų | 65.6 | 65% | 0.645 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -31.6 | -175.3 | -167.8 | -173.7 | 41.9 | 0 | 0 | 112 | F166 C168 | F166-Q177 HydrophobicContact CE2-CG 3.96Å; F166-Q177 HydrophobicContact CZ-CG 3.77Å; C168-Q177 WeakPolarHBondContact CB-O 3.34Å; C168-Q177 PolarHBondContact SG-O 3.43Å |
| 178 | K | 93.9 | Very high | 94.6 | Very high | 73 Ų | 73 | 67.3 Ų | 67.3 | 32% | 0.317 | 37% | 0.365 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.4 | 12.9 | 176.3 | -64.4 | -177.8 | 176.3 | -177 | 0 | 112 | A154 F166 G176 E180 | A154-K178 WeakPolarHBondContact CB-O 3.33Å; A154-K178 PolarHBondContact N-O 2.84Å; F166-K178 HydrophobicContact CE2-CG 3.84Å; F166-K178 HydrophobicContact CZ-CG 4.12Å; G176-K178 PolarHBondContact O-N 3.37Å; K178-E180 WeakPolarHBondContact CA-OE2 3.42Å; K178-E180 WeakPolarHBondContact CB-OE2 3.35Å; K178-E180 PolarHBondContact N-OE2 3.45Å; K178-E180 PolarHBondContact O-N 2.03Å |
| 179 | C | 96.3 | Very high | 94.1 | Very high | 0 Ų | 0 | 72.2 Ų | 72.2 | 0% | 0 | 40% | 0.397 | C | S | . | . | S | Bend | trans | 57.5 | 31 | -175.9 | -47.6 | 0 | 0 | 0 | 0 | 113.3 | N155 C168 C170 F174 T175 G176 | N155-C179 PolarHBondContact ND2-O 2.79Å; C168-C179 VanDerWaalsContact CB-SG 3.57Å; C170-C179 WeakPolarHBondContact CA-SG 2.99Å; C170-C179 HydrophobicContact CB-CB 3.67Å; C170-C179 WeakPolarHBondContact CB-SG 3.13Å; C170-C179 PolarHBondContact N-SG 3.42Å; C170-C179 WeakPolarHBondContact SG-CA 3.32Å; C170-C179 WeakPolarHBondContact SG-CB 3.29Å; C170-C179 CovalentContact SG-SG 2.04Å; C170-C179 PolarHBondContact SG-SG 3.17Å; F174-C179 HydrophobicContact CB-CB 4.38Å; T175-C179 CarbonylContact O-C 3.56Å; T175-C179 VanDerWaalsContact O-CA 3.27Å; T175-C179 WeakPolarHBondContact O-CA 3.35Å; G176-C179 PolarHBondContact O-N 2.87Å; G176-C179 VanDerWaalsContact O-N 3.16Å |
| 180 | E | 95.1 | Very high | 93.7 | Very high | 104 Ų | 104 | 67.1 Ų | 67.1 | 49% | 0.486 | 39% | 0.39 | S | S | . | . | trans | -84.3 | -19.6 | -175.7 | 69.6 | -86.5 | -145.5 | 0 | 0 | 113.3 | A154 T175 K178 | A154-E180 HydrophobicContact CB-CB 4.19Å; T175-E180 PolarHBondContact O-N 3.08Å; K178-E180 WeakPolarHBondContact CA-OE2 3.42Å; K178-E180 WeakPolarHBondContact CB-OE2 3.35Å; K178-E180 PolarHBondContact N-OE2 3.45Å; K178-E180 PolarHBondContact O-N 2.03Å | ||
| 181 | T | 96.1 | Very high | 93.4 | Very high | 69 Ų | 69 | 67.2 Ų | 67.2 | 42% | 0.423 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.1 | 127.5 | -174.7 | -54 | 0 | 0 | 0 | 0 | 109.4 | F174 T175 | F174-T181 CarbonylContact C-O 3.56Å; F174-T181 WeakPolarHBondContact CA-O 2.99Å; T175-T181 HydrophobicContact CG2-CG2 3.88Å; T175-T181 PolarHBondContact N-O 2.79Å; T175-T181 WeakPolarHBondContact O-CB 3.24Å; T175-T181 PolarHBondContact O-N 3.31Å |
| 182 | D | 96 | Very high | 93.4 | Very high | 49 Ų | 49 | 64 Ų | 64 | 26% | 0.262 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 134.6 | 170.8 | -176.4 | 56.7 | 0 | 0 | 0 | 110.5 | N200 P202 G203 | D182-N200 PolarHBondContact OD2-ND2 3.3Å; D182-P202 VanDerWaalsContact OD1-CA 3.27Å; D182-P202 WeakPolarHBondContact OD1-CA 3.4Å; D182-G203 PolarHBondContact OD1-N 2.81Å |
| 183 | V | 95.9 | Very high | 93.4 | Very high | 50 Ų | 50 | 61.7 Ų | 61.7 | 30% | 0.303 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -82.3 | 118.6 | 173.7 | 174.7 | 0 | 0 | 0 | 0 | 107.3 | G173 T175 E185 N200 | G173-V183 WeakPolarHBondContact O-CB 3.2Å; G173-V183 PolarHBondContact O-N 3.05Å; T175-V183 HydrophobicContact CG2-CG2 3.84Å; V183-E185 PolarHBondContact O-N 3.24Å; V183-E185 VanDerWaalsContact O-OE2 3.12Å; V183-N200 PolarHBondContact O-OD1 3.5Å |
| 184 | N | 95.3 | Very high | 93.3 | Very high | 54 Ų | 54 | 65.9 Ų | 65.9 | 29% | 0.289 | 37% | 0.368 | S | S | . | . | trans | -75.6 | 94.4 | 173.8 | -178.4 | 9.9 | 0 | 0 | 0 | 110.6 | C186 D187 N200 | N184-C186 PolarHBondContact O-N 3.43Å; N184-C186 VanDerWaalsContact O-N 3.16Å; N184-C186 VanDerWaalsContact OD1-CB 3.28Å; N184-C186 WeakPolarHBondContact OD1-CB 3.04Å; N184-C186 PolarHBondContact OD1-N 3.04Å; N184-D187 WeakPolarHBondContact CB-OD2 3.18Å; N184-D187 PolarHBondContact ND2-OD1 3.19Å; N184-D187 PolarHBondContact ND2-OD2 2.97Å; N184-D187 PolarHBondContact O-N 2.83Å; N184-D187 VanDerWaalsContact O-N 3.14Å; N184-N200 WeakPolarHBondContact CA-OD1 3.48Å; N184-N200 WeakPolarHBondContact OD1-CB 3.38Å | ||
| 185 | E | 93.7 | Very high | 93 | Very high | 22 Ų | 22 | 66.8 Ų | 66.8 | 10% | 0.103 | 39% | 0.388 | C | S | . | . | G | 310 helix | trans | -65.6 | -18.4 | -179.6 | -63.6 | 89.1 | -179.7 | 0 | 0 | 113 | G173 V183 D187 I188 H191 N200 Y205 | G173-E185 WeakPolarHBondContact CA-OE1 3.31Å; V183-E185 PolarHBondContact O-N 3.24Å; V183-E185 VanDerWaalsContact O-OE2 3.12Å; E185-D187 PolarHBondContact O-N 2.03Å; E185-I188 PolarHBondContact O-N 2.67Å; E185-H191 PolarHBondContact O-CE1 2.96Å; E185-H191 PolarHBondContact O-ND1 3.47Å; E185-N200 PolarHBondContact OE2-OD1 2.91Å; E185-Y205 HydrophobicContact CB-CD1 3.49Å; E185-Y205 VanDerWaalsContact CB-CD1 3.49Å; E185-Y205 HydrophobicContact CB-CE1 4.25Å; E185-Y205 HydrophobicContact CB-CG 3.98Å; E185-Y205 HydrophobicContact CG-CD1 3.81Å; E185-Y205 HydrophobicContact CG-CE1 4.45Å |
| 186 | C | 94.1 | Very high | 92.8 | Very high | 35 Ų | 35 | 64 Ų | 64 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -72.1 | -14.3 | 176.4 | -57.8 | 0 | 0 | 0 | 0 | 113.9 | N184 I188 C198 L199 N200 | N184-C186 PolarHBondContact O-N 3.43Å; N184-C186 VanDerWaalsContact O-N 3.16Å; N184-C186 VanDerWaalsContact OD1-CB 3.28Å; N184-C186 WeakPolarHBondContact OD1-CB 3.04Å; N184-C186 PolarHBondContact OD1-N 3.04Å; C186-I188 PolarHBondContact O-N 3.23Å; C186-C198 WeakPolarHBondContact CA-SG 3.29Å; C186-C198 HydrophobicContact CB-CB 3.63Å; C186-C198 WeakPolarHBondContact CB-SG 3.42Å; C186-C198 WeakPolarHBondContact SG-CB 2.98Å; C186-C198 CovalentContact SG-SG 2.04Å; C186-C198 PolarHBondContact SG-SG 3.47Å; C186-L199 VanDerWaalsContact SG-C 3.53Å; C186-N200 PolarHBondContact SG-N 3.46Å; C186-N200 VanDerWaalsContact SG-N 3.45Å |
| 187 | D | 92.8 | Very high | 92.8 | Very high | 125 Ų | 125 | 66.1 Ų | 66.1 | 67% | 0.668 | 38% | 0.38 | S | S | * | . | G | 310 helix | trans | -73.5 | -16.9 | 172 | -69.5 | -26 | 0 | 0 | 0 | 112 | N184 E185 P189 | N184-D187 WeakPolarHBondContact CB-OD2 3.18Å; N184-D187 PolarHBondContact ND2-OD1 3.19Å; N184-D187 PolarHBondContact ND2-OD2 2.97Å; N184-D187 PolarHBondContact O-N 2.83Å; N184-D187 VanDerWaalsContact O-N 3.14Å; E185-D187 PolarHBondContact O-N 2.03Å; D187-P189 WeakPolarHBondContact O-CD 3.01Å |
| 188 | I | 87.5 | Confident | 92.9 | Very high | 96 Ų | 96 | 61.2 Ų | 61.2 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | S | Bend | trans | -87.3 | 117.1 | 173.9 | -56.3 | 169.8 | 0 | 0 | 0 | 108.4 | E185 C186 H191 | E185-I188 PolarHBondContact O-N 2.67Å; C186-I188 PolarHBondContact O-N 3.23Å; I188-H191 PolarHBondContact O-ND1 3.02Å |
| 189 | P | 85.9 | Confident | 93 | Very high | 123 Ų | 123 | 61 Ų | 61 | 80% | 0.799 | 36% | 0.363 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | 145.2 | -177.9 | 25.2 | -32.2 | 0 | 0 | 0 | 111.9 | D187 | D187-P189 WeakPolarHBondContact O-CD 3.01Š|
| 190 | G | 85.9 | Confident | 93 | Very high | 55 Ų | 55 | 64 Ų | 64 | 57% | 0.567 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93.2 | 5.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | Q193 | G190-Q193 PolarHBondContact O-NE2 2.84Å; G190-Q193 VanDerWaalsContact O-NE2 3.08Å |
| 191 | H | 90.1 | Very high | 93 | Very high | 43 Ų | 43 | 62 Ų | 62 | 20% | 0.199 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -62.3 | -41.8 | 174.3 | -91.5 | 107.6 | 0 | 0 | 0 | 113.3 | E185 I188 Y205 Y217 | E185-H191 PolarHBondContact O-CE1 2.96Å; E185-H191 PolarHBondContact O-ND1 3.47Å; I188-H191 PolarHBondContact O-ND1 3.02Å; H191-Y205 HydrophobicContact CB-CD2 4.43Å; H191-Y205 HydrophobicContact CB-CE2 4.04Å; H191-Y205 AromaticContact CD2-CE1 3.62Å; H191-Y205 AromaticContact CD2-CE2 3.63Å; H191-Y205 AromaticContact CD2-CZ 3.21Å; H191-Y205 PolarHBondContact CD2-OH 2.81Å; H191-Y205 VanDerWaalsContact CD2-OH 3.24Å; H191-Y205 AromaticContact NE2-CE1 3.77Å; H191-Y205 AromaticContact NE2-CZ 3.84Å; H191-Y217 WeakPolarHBondContact O-CD1 3.02Å |
| 192 | C | 93.8 | Very high | 92.9 | Very high | 22 Ų | 22 | 63.9 Ų | 63.9 | 15% | 0.149 | 38% | 0.384 | C | S | . | . | S | Bend | trans | -107.2 | 124.3 | 178.5 | -52.6 | 0 | 0 | 0 | 0 | 110.6 | G196 C198 C207 | C192-G196 WeakPolarHBondContact CB-O 3.32Å; C192-C198 VanDerWaalsContact SG-CA 3.58Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å; C192-C207 WeakPolarHBondContact CA-SG 3.45Å; C192-C207 HydrophobicContact CB-CB 3.8Å; C192-C207 WeakPolarHBondContact CB-SG 3.4Å; C192-C207 WeakPolarHBondContact SG-CA 3.38Å; C192-C207 WeakPolarHBondContact SG-CB 3.22Å; C192-C207 CovalentContact SG-SG 2.04Å; C192-C207 PolarHBondContact SG-SG 2.85Å |
| 193 | Q | 93.9 | Very high | 92.7 | Very high | 88 Ų | 88 | 62.6 Ų | 62.6 | 41% | 0.411 | 38% | 0.383 | S | S | . | . | trans | -84.6 | 164.8 | -179.1 | -59.7 | -61.7 | -31.4 | 0 | 0 | 111.7 | G190 G195 G196 Y217 D219 | G190-Q193 PolarHBondContact O-NE2 2.84Å; G190-Q193 VanDerWaalsContact O-NE2 3.08Å; Q193-G195 PolarHBondContact O-N 3.28Å; Q193-G195 VanDerWaalsContact O-N 3.09Å; Q193-G196 PolarHBondContact O-N 3.05Å; Q193-Y217 VanDerWaalsContact CB-O 3.31Å; Q193-Y217 WeakPolarHBondContact CB-O 3.36Å; Q193-Y217 PolarHBondContact N-O 3.04Å; Q193-D219 HydrophobicContact CB-CB 4.47Å; Q193-D219 HydrophobicContact CG-CB 4.21Å | ||
| 194 | H | 92.8 | Very high | 92.6 | Very high | 97 Ų | 97 | 62.7 Ų | 62.7 | 45% | 0.449 | 39% | 0.385 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 34.9 | 172.7 | -51.7 | 115.5 | 0 | 0 | 0 | 114.8 | G196 L210 F213 C218 | H194-G196 VanDerWaalsContact C-N 3.34Å; H194-L210 WeakPolarHBondContact O-CD1 3.33Å; H194-F213 HydrophobicContact CB-CD1 3.63Å; H194-F213 HydrophobicContact CB-CD2 3.94Å; H194-F213 HydrophobicContact CB-CE1 3.49Å; H194-F213 VanDerWaalsContact CB-CE1 3.49Å; H194-F213 HydrophobicContact CB-CE2 3.81Å; H194-F213 HydrophobicContact CB-CG 3.85Å; H194-F213 HydrophobicContact CB-CZ 3.59Å; H194-F213 AromaticContact CD2-CE1 3.57Å; H194-F213 AromaticContact CE1-CD1 3.97Å; H194-F213 AromaticContact CE1-CE1 3.82Å; H194-F213 AromaticContact CG-CD1 3.48Å; H194-F213 VanDerWaalsContact CG-CD1 3.48Å; H194-F213 AromaticContact CG-CE1 3.2Å; H194-F213 AromaticContact CG-CZ 3.74Å; H194-F213 AromaticContact ND1-CD1 3.29Å; H194-F213 VanDerWaalsContact ND1-CD1 3.29Å; H194-F213 WeakPolarHBondContact ND1-CD1 3.41Å; H194-F213 AromaticContact ND1-CE1 3.38Å; H194-F213 WeakPolarHBondContact ND1-CE1 3.04Å; H194-F213 AromaticContact NE2-CE1 3.94Å; H194-C218 PolarHBondContact ND1-O 3.11Å |
| 195 | G | 90.6 | Very high | 92.6 | Very high | 55 Ų | 55 | 61.9 Ų | 61.9 | 57% | 0.567 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.7 | 16.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q193 | Q193-G195 PolarHBondContact O-N 3.28Å; Q193-G195 VanDerWaalsContact O-N 3.09Å |
| 196 | G | 92.5 | Very high | 92.7 | Very high | 14 Ų | 14 | 65.3 Ų | 65.3 | 14% | 0.144 | 39% | 0.394 | C | S | . | . | P | Polyproline II helix | trans | -59.4 | 144.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | C192 Q193 H194 Q208 | C192-G196 WeakPolarHBondContact CB-O 3.32Å; Q193-G196 PolarHBondContact O-N 3.05Å; H194-G196 VanDerWaalsContact C-N 3.34Å; G196-Q208 CarbonylContact C-O 3.45Å; G196-Q208 VanDerWaalsContact CA-O 3.24Å; G196-Q208 WeakPolarHBondContact CA-O 3.37Å |
| 197 | T | 94 | Very high | 92.8 | Very high | 76 Ų | 76 | 64.2 Ų | 64.2 | 47% | 0.466 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 126.4 | 176.7 | -58.6 | 0 | 0 | 0 | 0 | 109.6 | Q208 | T197-Q208 PolarHBondContact N-O 3.15Å; T197-Q208 PolarHBondContact O-N 3.45Å |
| 198 | C | 95.7 | Very high | 92.8 | Very high | 35 Ų | 35 | 62 Ų | 62 | 24% | 0.236 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 133.1 | 175.9 | -171.8 | 0 | 0 | 0 | 0 | 110.7 | C186 C192 | C186-C198 WeakPolarHBondContact CA-SG 3.29Å; C186-C198 HydrophobicContact CB-CB 3.63Å; C186-C198 WeakPolarHBondContact CB-SG 3.42Å; C186-C198 WeakPolarHBondContact SG-CB 2.98Å; C186-C198 CovalentContact SG-SG 2.04Å; C186-C198 PolarHBondContact SG-SG 3.47Å; C192-C198 VanDerWaalsContact SG-CA 3.58Å; C192-C198 VanDerWaalsContact SG-CB 3.56Å |
| 199 | L | 95.3 | Very high | 93.1 | Very high | 70 Ų | 70 | 59.3 Ų | 59.3 | 37% | 0.366 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 119.3 | 174.1 | -59.1 | 176.4 | 0 | 0 | 0 | 108.9 | C186 Y205 Q206 | C186-L199 VanDerWaalsContact SG-C 3.53Å; L199-Y205 CarbonylContact O-C 3.58Å; L199-Y205 VanDerWaalsContact O-CA 3.32Å; L199-Y205 WeakPolarHBondContact O-CA 3.31Å; L199-Y205 WeakPolarHBondContact O-CB 3.12Å; L199-Q206 WeakPolarHBondContact CB-O 2.99Å; L199-Q206 PolarHBondContact N-O 3.15Å; L199-Q206 PolarHBondContact O-N 3.31Å |
| 200 | N | 95.5 | Very high | 93.4 | Very high | 61 Ų | 61 | 57.9 Ų | 57.9 | 33% | 0.326 | 35% | 0.347 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 135.1 | 176.6 | -171.8 | 47.5 | 0 | 0 | 0 | 111.1 | D182 V183 N184 E185 C186 | D182-N200 PolarHBondContact OD2-ND2 3.3Å; V183-N200 PolarHBondContact O-OD1 3.5Å; N184-N200 WeakPolarHBondContact CA-OD1 3.48Å; N184-N200 WeakPolarHBondContact OD1-CB 3.38Å; E185-N200 PolarHBondContact OE2-OD1 2.91Å; C186-N200 PolarHBondContact SG-N 3.46Å; C186-N200 VanDerWaalsContact SG-N 3.45Å |
| 201 | L | 94.9 | Very high | 93.6 | Very high | 64 Ų | 64 | 61.4 Ų | 61.4 | 34% | 0.335 | 35% | 0.349 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 156.2 | 177.9 | -59.8 | 175.9 | 0 | 0 | 0 | 109.6 | G203 S204 Q206 | L201-G203 PolarHBondContact O-N 2.94Å; L201-S204 CarbonylContact C-O 3.5Å; L201-S204 VanDerWaalsContact C-O 3.26Å; L201-S204 VanDerWaalsContact CA-O 3.26Å; L201-S204 WeakPolarHBondContact CA-O 3.42Å; L201-S204 VanDerWaalsContact CB-O 3.3Å; L201-S204 WeakPolarHBondContact CB-O 3.29Å; L201-S204 PolarHBondContact N-O 3.01Å; L201-S204 CarbonylContact O-C 3.52Å; L201-S204 PolarHBondContact O-N 2.75Å; L201-Q206 HydrophobicContact CD1-CB 3.87Å |
| 202 | P | 94 | Very high | 93.6 | Very high | 108 Ų | 108 | 59.6 Ų | 59.6 | 70% | 0.701 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | 113.3 | 175.3 | -27.3 | 36.4 | 0 | 0 | 0 | 112.6 | D182 S204 | D182-P202 VanDerWaalsContact OD1-CA 3.27Å; D182-P202 WeakPolarHBondContact OD1-CA 3.4Å; P202-S204 VanDerWaalsContact C-N 3.27Å; P202-S204 PolarHBondContact O-N 2.82Å |
| 203 | G | 92.8 | Very high | 93.6 | Very high | 22 Ų | 22 | 61.1 Ų | 61.1 | 23% | 0.227 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71.5 | 12.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D182 L201 | D182-G203 PolarHBondContact OD1-N 2.81Å; L201-G203 PolarHBondContact O-N 2.94Å |
| 204 | S | 94.3 | Very high | 93.5 | Very high | 51 Ų | 51 | 59.6 Ų | 59.6 | 36% | 0.357 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -166 | -178.5 | -179.7 | 67.4 | 0 | 0 | 0 | 0 | 112.5 | L201 P202 | L201-S204 CarbonylContact C-O 3.5Å; L201-S204 VanDerWaalsContact C-O 3.26Å; L201-S204 VanDerWaalsContact CA-O 3.26Å; L201-S204 WeakPolarHBondContact CA-O 3.42Å; L201-S204 VanDerWaalsContact CB-O 3.3Å; L201-S204 WeakPolarHBondContact CB-O 3.29Å; L201-S204 PolarHBondContact N-O 3.01Å; L201-S204 CarbonylContact O-C 3.52Å; L201-S204 PolarHBondContact O-N 2.75Å; P202-S204 VanDerWaalsContact C-N 3.27Å; P202-S204 PolarHBondContact O-N 2.82Å |
| 205 | Y | 94.5 | Very high | 93.4 | Very high | 38 Ų | 38 | 55.7 Ų | 55.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 164.6 | 171.9 | 65.4 | -78.3 | 0 | 0 | 0 | 110.5 | E185 H191 L199 Y217 | E185-Y205 HydrophobicContact CB-CD1 3.49Å; E185-Y205 VanDerWaalsContact CB-CD1 3.49Å; E185-Y205 HydrophobicContact CB-CE1 4.25Å; E185-Y205 HydrophobicContact CB-CG 3.98Å; E185-Y205 HydrophobicContact CG-CD1 3.81Å; E185-Y205 HydrophobicContact CG-CE1 4.45Å; H191-Y205 HydrophobicContact CB-CD2 4.43Å; H191-Y205 HydrophobicContact CB-CE2 4.04Å; H191-Y205 AromaticContact CD2-CE1 3.62Å; H191-Y205 AromaticContact CD2-CE2 3.63Å; H191-Y205 AromaticContact CD2-CZ 3.21Å; H191-Y205 PolarHBondContact CD2-OH 2.81Å; H191-Y205 VanDerWaalsContact CD2-OH 3.24Å; H191-Y205 AromaticContact NE2-CE1 3.77Å; H191-Y205 AromaticContact NE2-CZ 3.84Å; L199-Y205 CarbonylContact O-C 3.58Å; L199-Y205 VanDerWaalsContact O-CA 3.32Å; L199-Y205 WeakPolarHBondContact O-CA 3.31Å; L199-Y205 WeakPolarHBondContact O-CB 3.12Å; Y205-Y217 WeakPolarHBondContact OH-CE1 3.49Å |
| 206 | Q | 95.2 | Very high | 93.5 | Very high | 93 Ų | 93 | 59 Ų | 59 | 44% | 0.435 | 33% | 0.33 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.9 | 132.1 | 174.9 | -176.4 | 177 | -4.7 | 0 | 0 | 110.4 | L199 L201 | L199-Q206 WeakPolarHBondContact CB-O 2.99Å; L199-Q206 PolarHBondContact N-O 3.15Å; L199-Q206 PolarHBondContact O-N 3.31Å; L201-Q206 HydrophobicContact CD1-CB 3.87Å |
| 207 | C | 96.1 | Very high | 93.6 | Very high | 13 Ų | 13 | 63.1 Ų | 63.1 | 9% | 0.088 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 126 | 171.6 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | C192 Q216 C218 | C192-C207 WeakPolarHBondContact CA-SG 3.45Å; C192-C207 HydrophobicContact CB-CB 3.8Å; C192-C207 WeakPolarHBondContact CB-SG 3.4Å; C192-C207 WeakPolarHBondContact SG-CA 3.38Å; C192-C207 WeakPolarHBondContact SG-CB 3.22Å; C192-C207 CovalentContact SG-SG 2.04Å; C192-C207 PolarHBondContact SG-SG 2.85Å; C207-Q216 WeakPolarHBondContact CB-O 3.36Å; C207-C218 VanDerWaalsContact CB-SG 3.58Å |
| 208 | Q | 94.6 | Very high | 93.6 | Very high | 77 Ų | 77 | 59.5 Ų | 59.5 | 36% | 0.36 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 111.2 | 166.2 | -171.6 | 173.1 | 54.6 | 0 | 0 | 109.6 | G196 T197 R274 | G196-Q208 CarbonylContact C-O 3.45Å; G196-Q208 VanDerWaalsContact CA-O 3.24Å; G196-Q208 WeakPolarHBondContact CA-O 3.37Å; T197-Q208 PolarHBondContact N-O 3.15Å; T197-Q208 PolarHBondContact O-N 3.45Å; Q208-R274 PolarHBondContact NE2-OXT 3.15Å |
| 209 | C | 93.5 | Very high | 93.5 | Very high | 41 Ų | 41 | 61.7 Ų | 61.7 | 28% | 0.277 | 33% | 0.329 | S | S | . | . | P | Polyproline II helix | trans | -79.3 | 142 | -175.3 | -52.7 | 0 | 0 | 0 | 0 | 112.8 | F213 C218 | C209-F213 HydrophobicContact CB-CB 4.19Å; C209-F213 WeakPolarHBondContact CB-O 3.48Å; C209-C218 WeakPolarHBondContact CA-SG 3.48Å; C209-C218 HydrophobicContact CB-CB 3.72Å; C209-C218 WeakPolarHBondContact CB-SG 3Å; C209-C218 PolarHBondContact N-SG 3.02Å; C209-C218 VanDerWaalsContact N-SG 3.45Å; C209-C218 WeakPolarHBondContact SG-CA 3.48Å; C209-C218 WeakPolarHBondContact SG-CB 3.22Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.47Å |
| 210 | L | 92.5 | Very high | 93.3 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 48% | 0.482 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -63.7 | 157.4 | 166.5 | -70.8 | 179.4 | 0 | 0 | 0 | 110.6 | H194 G212 F213 | H194-L210 WeakPolarHBondContact O-CD1 3.33Å; L210-G212 PolarHBondContact O-N 3.32Å; L210-F213 HydrophobicContact CB-CD2 4.26Å; L210-F213 PolarHBondContact O-N 2.74Å; L210-F213 VanDerWaalsContact O-N 3.07Å |
| 211 | Q | 89 | Confident | 93.1 | Very high | 130 Ų | 130 | 68.4 Ų | 68.4 | 61% | 0.607 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56 | 130.5 | 176.9 | -176.6 | 177.9 | 77.9 | 0 | 0 | 110.2 | F242 W270 | Q211-F242 HydrophobicContact CG-CB 4.18Å; Q211-F242 HydrophobicContact CG-CD2 3.52Å; Q211-F242 HydrophobicContact CG-CE2 4.02Å; Q211-F242 HydrophobicContact CG-CG 3.86Å; Q211-W270 HydrophobicContact CG-CH2 4.35Å |
| 212 | G | 90.8 | Very high | 92.8 | Very high | 4 Ų | 4 | 67.5 Ų | 67.5 | 4% | 0.041 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 95.9 | -3.8 | -176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | L210 L221 Y222 F242 | L210-G212 PolarHBondContact O-N 3.32Å; G212-L221 CarbonylContact O-C 3.47Å; G212-L221 WeakPolarHBondContact O-CA 3.46Å; G212-Y222 PolarHBondContact O-N 3.42Å; G212-F242 VanDerWaalsContact CA-CD1 3.46Å |
| 213 | F | 92.6 | Very high | 92.6 | Very high | 54 Ų | 54 | 66 Ų | 66 | 24% | 0.237 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 153.7 | 176.6 | -60 | -82.6 | 0 | 0 | 0 | 112.4 | H194 C209 L210 C218 R220 L221 | H194-F213 HydrophobicContact CB-CD1 3.63Å; H194-F213 HydrophobicContact CB-CD2 3.94Å; H194-F213 HydrophobicContact CB-CE1 3.49Å; H194-F213 VanDerWaalsContact CB-CE1 3.49Å; H194-F213 HydrophobicContact CB-CE2 3.81Å; H194-F213 HydrophobicContact CB-CG 3.85Å; H194-F213 HydrophobicContact CB-CZ 3.59Å; H194-F213 AromaticContact CD2-CE1 3.57Å; H194-F213 AromaticContact CE1-CD1 3.97Å; H194-F213 AromaticContact CE1-CE1 3.82Å; H194-F213 AromaticContact CG-CD1 3.48Å; H194-F213 VanDerWaalsContact CG-CD1 3.48Å; H194-F213 AromaticContact CG-CE1 3.2Å; H194-F213 AromaticContact CG-CZ 3.74Å; H194-F213 AromaticContact ND1-CD1 3.29Å; H194-F213 VanDerWaalsContact ND1-CD1 3.29Å; H194-F213 WeakPolarHBondContact ND1-CD1 3.41Å; H194-F213 AromaticContact ND1-CE1 3.38Å; H194-F213 WeakPolarHBondContact ND1-CE1 3.04Å; H194-F213 AromaticContact NE2-CE1 3.94Å; C209-F213 HydrophobicContact CB-CB 4.19Å; C209-F213 WeakPolarHBondContact CB-O 3.48Å; L210-F213 HydrophobicContact CB-CD2 4.26Å; L210-F213 PolarHBondContact O-N 2.74Å; L210-F213 VanDerWaalsContact O-N 3.07Å; F213-C218 HydrophobicContact CB-CB 4.36Å; F213-R220 CarbonylContact C-O 3.6Å; F213-R220 VanDerWaalsContact CA-O 3.27Å; F213-R220 WeakPolarHBondContact CA-O 3.11Å; F213-L221 HydrophobicContact CD1-CD2 4.03Å; F213-L221 HydrophobicContact CE1-CD2 3.61Å; F213-L221 HydrophobicContact CZ-CD2 4.26Å |
| 214 | T | 91.6 | Very high | 92.2 | Very high | 56 Ų | 56 | 65.1 Ų | 65.1 | 34% | 0.344 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.6 | 171.7 | -178.8 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | C218 D219 R220 | T214-C218 CarbonylContact O-C 3.54Å; T214-C218 WeakPolarHBondContact O-CA 3.47Å; T214-D219 PolarHBondContact O-N 3.49Å; T214-R220 HydrophobicContact CG2-CB 3.93Å; T214-R220 PolarHBondContact N-O 3.05Å; T214-R220 WeakPolarHBondContact O-CB 3.07Å; T214-R220 PolarHBondContact O-N 2.02Å |
| 215 | G | 91.5 | Very high | 91.9 | Very high | 15 Ų | 15 | 64.6 Ų | 64.6 | 16% | 0.155 | 32% | 0.32 | C | S | . | . | S | Bend | trans | 100.5 | 165.4 | -173.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y217 C218 | G215-Y217 PolarHBondContact O-N 3.04Å; G215-C218 PolarHBondContact O-N 3.11Å |
| 216 | Q | 92.2 | Very high | 91.5 | Very high | 126 Ų | 126 | 66 Ų | 66 | 59% | 0.589 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -32.1 | -179.3 | -178.6 | 178.4 | 3.2 | 0 | 0 | 112 | C207 | C207-Q216 WeakPolarHBondContact CB-O 3.36Š|
| 217 | Y | 94.2 | Very high | 90.9 | Very high | 100 Ų | 100 | 69.5 Ų | 69.5 | 39% | 0.392 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.8 | 7.4 | -178.5 | -52.9 | -84.7 | 0 | 0 | 0 | 112.9 | H191 Q193 Y205 G215 D219 | H191-Y217 WeakPolarHBondContact O-CD1 3.02Å; Q193-Y217 VanDerWaalsContact CB-O 3.31Å; Q193-Y217 WeakPolarHBondContact CB-O 3.36Å; Q193-Y217 PolarHBondContact N-O 3.04Å; Y205-Y217 WeakPolarHBondContact OH-CE1 3.49Å; G215-Y217 PolarHBondContact O-N 3.04Å; Y217-D219 PolarHBondContact O-N 3.13Å |
| 218 | C | 94.8 | Very high | 90.2 | Very high | 0 Ų | 0 | 72.3 Ų | 72.3 | 0% | 0 | 38% | 0.376 | C | S | . | . | S | Bend | trans | 56.8 | 28.4 | -172.9 | -51 | 0 | 0 | 0 | 0 | 114.4 | H194 C207 C209 F213 T214 G215 | H194-C218 PolarHBondContact ND1-O 3.11Å; C207-C218 VanDerWaalsContact CB-SG 3.58Å; C209-C218 WeakPolarHBondContact CA-SG 3.48Å; C209-C218 HydrophobicContact CB-CB 3.72Å; C209-C218 WeakPolarHBondContact CB-SG 3Å; C209-C218 PolarHBondContact N-SG 3.02Å; C209-C218 VanDerWaalsContact N-SG 3.45Å; C209-C218 WeakPolarHBondContact SG-CA 3.48Å; C209-C218 WeakPolarHBondContact SG-CB 3.22Å; C209-C218 CovalentContact SG-SG 2.04Å; C209-C218 PolarHBondContact SG-SG 3.47Å; F213-C218 HydrophobicContact CB-CB 4.36Å; T214-C218 CarbonylContact O-C 3.54Å; T214-C218 WeakPolarHBondContact O-CA 3.47Å; G215-C218 PolarHBondContact O-N 3.11Å |
| 219 | D | 93.7 | Very high | 89.7 | Confident | 81 Ų | 81 | 70.6 Ų | 70.6 | 43% | 0.433 | 37% | 0.371 | S | S | . | . | trans | -87.6 | -11.4 | -173.8 | 61.5 | -46.2 | 0 | 0 | 0 | 113.7 | Q193 T214 Y217 | Q193-D219 HydrophobicContact CB-CB 4.47Å; Q193-D219 HydrophobicContact CG-CB 4.21Å; T214-D219 PolarHBondContact O-N 3.49Å; Y217-D219 PolarHBondContact O-N 3.13Å | ||
| 220 | R | 92 | Very high | 89.3 | Confident | 143 Ų | 143 | 69.3 Ų | 69.3 | 54% | 0.54 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 144.1 | -177.7 | -58.4 | -178.9 | -64.1 | -177.5 | 2.2 | 111.2 | F213 T214 | F213-R220 CarbonylContact C-O 3.6Å; F213-R220 VanDerWaalsContact CA-O 3.27Å; F213-R220 WeakPolarHBondContact CA-O 3.11Å; T214-R220 HydrophobicContact CG2-CB 3.93Å; T214-R220 PolarHBondContact N-O 3.05Å; T214-R220 WeakPolarHBondContact O-CB 3.07Å; T214-R220 PolarHBondContact O-N 2.02Å |
| 221 | L | 90 | Very high | 89.1 | Confident | 128 Ų | 128 | 67.7 Ų | 67.7 | 67% | 0.67 | 36% | 0.356 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 137.5 | 170.9 | -66.9 | 171.8 | 0 | 0 | 0 | 110.7 | G212 F213 V223 | G212-L221 CarbonylContact O-C 3.47Å; G212-L221 WeakPolarHBondContact O-CA 3.46Å; F213-L221 HydrophobicContact CD1-CD2 4.03Å; F213-L221 HydrophobicContact CE1-CD2 3.61Å; F213-L221 HydrophobicContact CZ-CD2 4.26Å; L221-V223 PolarHBondContact O-N 3.11Å |
| 222 | Y | 89.8 | Confident | 89 | Confident | 45 Ų | 45 | 68 Ų | 68 | 18% | 0.176 | 36% | 0.362 | C | S | . | . | trans | -76.3 | 120.4 | 173.3 | 177.6 | -104.6 | 0 | 0 | 0 | 110.2 | G212 P224 F242 F244 W270 | G212-Y222 PolarHBondContact O-N 3.42Å; Y222-P224 HydrophobicContact CD1-CG 4.28Å; Y222-P224 HydrophobicContact CE1-CB 4.13Å; Y222-P224 HydrophobicContact CE1-CG 3.82Å; Y222-F242 HydrophobicContact CD1-CB 4.28Å; Y222-F242 HydrophobicContact CD1-CD1 4.4Å; Y222-F242 HydrophobicContact CE1-CB 4.47Å; Y222-F242 WeakPolarHBondContact CE1-O 3.46Å; Y222-F244 WeakPolarHBondContact OH-CE1 2.94Å; Y222-W270 AromaticContact CZ-NE1 3.58Å; Y222-W270 PolarHBondContact OH-NE1 3.44Å | ||
| 223 | V | 89.3 | Confident | 88.5 | Confident | 78 Ų | 78 | 70.3 Ų | 70.3 | 47% | 0.473 | 39% | 0.386 | S | S | . | . | trans | -114.4 | 113.4 | 173.8 | 179.5 | 0 | 0 | 0 | 0 | 108.5 | L221 C225 A226 | L221-V223 PolarHBondContact O-N 3.11Å; V223-C225 PolarHBondContact O-N 3Å; V223-A226 HydrophobicContact CB-CB 3.68Å; V223-A226 HydrophobicContact CG1-CB 3.82Å; V223-A226 PolarHBondContact O-N 3.23Å; V223-A226 VanDerWaalsContact O-N 3.14Å | ||
| 224 | P | 85 | Confident | 88.1 | Confident | 2 Ų | 2 | 68.1 Ų | 68.1 | 1% | 0.013 | 38% | 0.378 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | -25.3 | -167.6 | -28.6 | 34.2 | 0 | 0 | 0 | 116.7 | Y222 Q238 F244 | Y222-P224 HydrophobicContact CD1-CG 4.28Å; Y222-P224 HydrophobicContact CE1-CB 4.13Å; Y222-P224 HydrophobicContact CE1-CG 3.82Å; P224-Q238 HydrophobicContact CB-CG 4.24Å; P224-Q238 HydrophobicContact CG-CG 4.01Å; P224-F244 HydrophobicContact CB-CB 3.79Å; P224-F244 HydrophobicContact CB-CD1 4.03Å; P224-F244 HydrophobicContact CB-CG 4.32Å |
| 225 | C | 87.4 | Confident | 88 | Confident | 40 Ų | 40 | 69.4 Ų | 69.4 | 27% | 0.27 | 39% | 0.386 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | 14.3 | -179.9 | -62.6 | 0 | 0 | 0 | 0 | 114.2 | V223 H227 C236 R237 Q238 | V223-C225 PolarHBondContact O-N 3Å; C225-H227 VanDerWaalsContact C-N 3.31Å; C225-H227 PolarHBondContact O-N 3.35Å; C225-C236 VanDerWaalsContact CA-SG 3.52Å; C225-C236 HydrophobicContact CB-CB 3.79Å; C225-C236 WeakPolarHBondContact CB-SG 3.44Å; C225-C236 VanDerWaalsContact SG-C 3.5Å; C225-C236 WeakPolarHBondContact SG-CB 3.49Å; C225-C236 CovalentContact SG-SG 2.05Å; C225-C236 PolarHBondContact SG-SG 2.73Å; C225-R237 VanDerWaalsContact SG-C 3.6Å; C225-Q238 PolarHBondContact SG-N 2.94Å; C225-Q238 VanDerWaalsContact SG-N 3.43Å |
| 226 | A | 86.2 | Confident | 87.9 | Confident | 67 Ų | 67 | 69.9 Ų | 69.9 | 55% | 0.554 | 39% | 0.387 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.5 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | V223 | V223-A226 HydrophobicContact CB-CB 3.68Å; V223-A226 HydrophobicContact CG1-CB 3.82Å; V223-A226 PolarHBondContact O-N 3.23Å; V223-A226 VanDerWaalsContact O-N 3.14Å |
| 227 | H | 82.2 | Confident | 87.8 | Confident | 168 Ų | 168 | 70.3 Ų | 70.3 | 78% | 0.778 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -112.7 | 138.4 | 158.4 | -60.5 | 99.4 | 0 | 0 | 0 | 106.8 | C225 P229 | C225-H227 VanDerWaalsContact C-N 3.31Å; C225-H227 PolarHBondContact O-N 3.35Å; H227-P229 WeakPolarHBondContact O-CD 3.43Å; H227-P229 VanDerWaalsContact O-N 3.1Å |
| 228 | S | 81.6 | Confident | 87.5 | Confident | 71 Ų | 71 | 70.3 Ų | 70.3 | 50% | 0.497 | 39% | 0.387 | S | S | . | . | trans | -66.4 | 111.6 | 177.8 | -173.1 | 0 | 0 | 0 | 0 | 109.4 | C230 G234 | S228-C230 PolarHBondContact O-N 2.04Å; S228-C230 WeakPolarHBondContact OG-CB 3.32Å; S228-C230 PolarHBondContact OG-N 3.5Å; S228-G234 PolarHBondContact OG-O 2.91Å | ||
| 229 | P | 82.9 | Confident | 87.3 | Confident | 41 Ų | 41 | 73.9 Ų | 73.9 | 27% | 0.266 | 41% | 0.409 | S | S | . | . | trans | -75.2 | -3.9 | 171.8 | 35.6 | -36.2 | 0 | 0 | 0 | 111.5 | H227 V231 C236 F244 | H227-P229 WeakPolarHBondContact O-CD 3.43Å; H227-P229 VanDerWaalsContact O-N 3.1Å; P229-V231 PolarHBondContact O-N 2.03Å; P229-C236 VanDerWaalsContact CD-SG 3.55Å; P229-F244 HydrophobicContact CB-CE1 4.31Å; P229-F244 HydrophobicContact CB-CE2 3.81Å; P229-F244 HydrophobicContact CB-CZ 3.64Å; P229-F244 HydrophobicContact CG-CD1 4.23Å; P229-F244 HydrophobicContact CG-CD2 3.51Å; P229-F244 HydrophobicContact CG-CE1 3.93Å; P229-F244 HydrophobicContact CG-CE2 3.15Å; P229-F244 HydrophobicContact CG-CG 4.06Å; P229-F244 HydrophobicContact CG-CZ 3.39Å | ||
| 230 | C | 86.8 | Confident | 86.9 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 10% | 0.095 | 40% | 0.401 | C | S | . | . | trans | -83.3 | 115.6 | -174.5 | -53.4 | 0 | 0 | 0 | 0 | 110.3 | S228 G234 C236 C246 | S228-C230 PolarHBondContact O-N 2.04Å; S228-C230 WeakPolarHBondContact OG-CB 3.32Å; S228-C230 PolarHBondContact OG-N 3.5Å; C230-G234 VanDerWaalsContact CB-O 3.31Å; C230-G234 WeakPolarHBondContact CB-O 3.47Å; C230-C236 VanDerWaalsContact SG-CA 3.58Å; C230-C246 WeakPolarHBondContact CA-SG 3.04Å; C230-C246 HydrophobicContact CB-CB 3.71Å; C230-C246 WeakPolarHBondContact CB-SG 3.38Å; C230-C246 WeakPolarHBondContact SG-CA 3.18Å; C230-C246 WeakPolarHBondContact SG-CB 3.35Å; C230-C246 CovalentContact SG-SG 2.03Å; C230-C246 PolarHBondContact SG-SG 3.14Å | ||
| 231 | V | 87.4 | Confident | 86.6 | Confident | 59 Ų | 59 | 70.7 Ų | 70.7 | 36% | 0.358 | 41% | 0.409 | S | S | . | . | G | 310 helix | trans | -65.2 | 161.4 | 174.4 | -60.7 | 0 | 0 | 0 | 0 | 112.2 | P229 G233 G234 | P229-V231 PolarHBondContact O-N 2.03Å; V231-G233 VanDerWaalsContact C-N 3.27Å; V231-G233 PolarHBondContact O-N 3.2Å; V231-G234 PolarHBondContact O-N 3.36Å |
| 232 | N | 86.2 | Confident | 86.3 | Confident | 137 Ų | 137 | 68 Ų | 68 | 73% | 0.733 | 39% | 0.392 | S | S | * | . | G | 310 helix | trans | 57.8 | 31.9 | 176.2 | -56.3 | -37.9 | 0 | 0 | 0 | 115 | G234 | N232-G234 VanDerWaalsContact C-N 3.27Å; N232-G234 PolarHBondContact O-N 2.77Å |
| 233 | G | 81.7 | Confident | 86.2 | Confident | 51 Ų | 51 | 69.5 Ų | 69.5 | 53% | 0.526 | 41% | 0.405 | S | S | . | . | G | 310 helix | trans | 71 | 20 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | V231 L249 | V231-G233 VanDerWaalsContact C-N 3.27Å; V231-G233 PolarHBondContact O-N 3.2Å; G233-L249 WeakPolarHBondContact O-CD1 3.5Å |
| 234 | G | 84.2 | Confident | 86.1 | Confident | 8 Ų | 8 | 67.5 Ų | 67.5 | 8% | 0.082 | 39% | 0.391 | C | S | . | . | P | Polyproline II helix | trans | -60.1 | 146.9 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S228 C230 V231 N232 N247 | S228-G234 PolarHBondContact OG-O 2.91Å; C230-G234 VanDerWaalsContact CB-O 3.31Å; C230-G234 WeakPolarHBondContact CB-O 3.47Å; V231-G234 PolarHBondContact O-N 3.36Å; N232-G234 VanDerWaalsContact C-N 3.27Å; N232-G234 PolarHBondContact O-N 2.77Å; G234-N247 CarbonylContact C-O 3.5Å; G234-N247 VanDerWaalsContact CA-O 3.23Å; G234-N247 WeakPolarHBondContact CA-O 3.03Å |
| 235 | T | 88.5 | Confident | 86.4 | Confident | 83 Ų | 83 | 69.8 Ų | 69.8 | 51% | 0.509 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.2 | 174.8 | -48.4 | 0 | 0 | 0 | 0 | 109.9 | N247 | T235-N247 PolarHBondContact N-O 2.83Å; T235-N247 PolarHBondContact O-N 2.77Å |
| 236 | C | 90.1 | Very high | 86.4 | Confident | 26 Ų | 26 | 68.8 Ų | 68.8 | 18% | 0.176 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 135.7 | 175.3 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | C225 P229 C230 | C225-C236 VanDerWaalsContact CA-SG 3.52Å; C225-C236 HydrophobicContact CB-CB 3.79Å; C225-C236 WeakPolarHBondContact CB-SG 3.44Å; C225-C236 VanDerWaalsContact SG-C 3.5Å; C225-C236 WeakPolarHBondContact SG-CB 3.49Å; C225-C236 CovalentContact SG-SG 2.05Å; C225-C236 PolarHBondContact SG-SG 2.73Å; P229-C236 VanDerWaalsContact CD-SG 3.55Å; C230-C236 VanDerWaalsContact SG-CA 3.58Å |
| 237 | R | 90.4 | Very high | 86.5 | Confident | 134 Ų | 134 | 69 Ų | 69 | 51% | 0.506 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 122.1 | 169.9 | -177.6 | 180 | 70.4 | 162.4 | 2.3 | 109.7 | C225 T239 F244 E245 | C225-R237 VanDerWaalsContact SG-C 3.6Å; R237-T239 PolarHBondContact O-N 3.29Å; R237-F244 CarbonylContact O-C 3.34Å; R237-F244 VanDerWaalsContact O-CA 3.29Å; R237-F244 WeakPolarHBondContact O-CA 3.15Å; R237-E245 IonicContact CZ-OE2 3.98Å; R237-E245 PolarHBondContact N-O 2.79Å; R237-E245 IonicContact NE-OE2 3.34Å; R237-E245 IonicContact NH2-OE2 2.91Å; R237-E245 PolarHBondContact NH2-OE2 3.25Å; R237-E245 PolarHBondContact O-N 3.16Å |
| 238 | Q | 88.3 | Confident | 86.4 | Confident | 101 Ų | 101 | 63.5 Ų | 63.5 | 47% | 0.472 | 37% | 0.366 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.1 | 131.1 | 172.2 | -175.5 | 170.2 | 6.3 | 0 | 0 | 110.1 | P224 C225 G240 | P224-Q238 HydrophobicContact CB-CG 4.24Å; P224-Q238 HydrophobicContact CG-CG 4.01Å; C225-Q238 PolarHBondContact SG-N 2.94Å; C225-Q238 VanDerWaalsContact SG-N 3.43Å; Q238-G240 WeakPolarHBondContact CG-O 3.46Å; Q238-G240 PolarHBondContact NE2-O 3.36Å |
| 239 | T | 88.8 | Confident | 86 | Confident | 74 Ų | 74 | 64.1 Ų | 64.1 | 45% | 0.454 | 36% | 0.363 | S | S | . | . | trans | -116.1 | -8.3 | -178.8 | 54.7 | 0 | 0 | 0 | 0 | 113.6 | R237 T243 F244 E245 | R237-T239 PolarHBondContact O-N 3.29Å; T239-T243 PolarHBondContact N-O 2.88Å; T239-T243 PolarHBondContact OG1-O 2.82Å; T239-T243 PolarHBondContact OG1-OG1 2.74Å; T239-T243 VanDerWaalsContact OG1-OG1 3.06Å; T239-F244 PolarHBondContact OG1-N 2.74Å; T239-E245 HydrophobicContact CG2-CB 3.8Å | ||
| 240 | G | 86.5 | Confident | 85.3 | Confident | 27 Ų | 27 | 67.3 Ų | 67.3 | 28% | 0.278 | 38% | 0.384 | S | S | . | . | S | Bend | trans | -170.3 | -175.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q238 F242 T243 | Q238-G240 WeakPolarHBondContact CG-O 3.46Å; Q238-G240 PolarHBondContact NE2-O 3.36Å; G240-F242 PolarHBondContact O-N 2.81Å; G240-T243 WeakPolarHBondContact CA-OG1 3Å; G240-T243 PolarHBondContact N-O 3.4Å; G240-T243 PolarHBondContact N-OG1 2.92Å; G240-T243 VanDerWaalsContact N-OG1 3.09Å |
| 241 | D | 84.8 | Confident | 83.8 | Confident | 130 Ų | 130 | 75.7 Ų | 75.7 | 70% | 0.695 | 42% | 0.422 | S | S | * | . | S | Bend | trans | -55.4 | -39.8 | -176 | -61.7 | -28.2 | 0 | 0 | 0 | 112 | ||
| 242 | F | 85.2 | Confident | 81.9 | Confident | 72 Ų | 72 | 76.4 Ų | 76.4 | 32% | 0.316 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -127.4 | 8.2 | -178.6 | -43.4 | -58.3 | 0 | 0 | 0 | 113.8 | Q211 G212 Y222 G240 | Q211-F242 HydrophobicContact CG-CB 4.18Å; Q211-F242 HydrophobicContact CG-CD2 3.52Å; Q211-F242 HydrophobicContact CG-CE2 4.02Å; Q211-F242 HydrophobicContact CG-CG 3.86Å; G212-F242 VanDerWaalsContact CA-CD1 3.46Å; Y222-F242 HydrophobicContact CD1-CB 4.28Å; Y222-F242 HydrophobicContact CD1-CD1 4.4Å; Y222-F242 HydrophobicContact CE1-CB 4.47Å; Y222-F242 WeakPolarHBondContact CE1-O 3.46Å; G240-F242 PolarHBondContact O-N 2.81Å |
| 243 | T | 87.2 | Confident | 80.3 | Confident | 76 Ų | 76 | 72.6 Ų | 72.6 | 47% | 0.466 | 41% | 0.408 | S | S | . | . | trans | -114.4 | 146.4 | -176.1 | 60.7 | 0 | 0 | 0 | 0 | 111.7 | T239 G240 | T239-T243 PolarHBondContact N-O 2.88Å; T239-T243 PolarHBondContact OG1-O 2.82Å; T239-T243 PolarHBondContact OG1-OG1 2.74Å; T239-T243 VanDerWaalsContact OG1-OG1 3.06Å; G240-T243 WeakPolarHBondContact CA-OG1 3Å; G240-T243 PolarHBondContact N-O 3.4Å; G240-T243 PolarHBondContact N-OG1 2.92Å; G240-T243 VanDerWaalsContact N-OG1 3.09Å | ||
| 244 | F | 87.7 | Confident | 78.9 | Confident | 36 Ų | 36 | 82 Ų | 82 | 16% | 0.158 | 43% | 0.428 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.5 | 163.8 | 176.3 | 64.4 | -85.4 | 0 | 0 | 0 | 111.7 | Y222 P224 P229 R237 T239 A266 | Y222-F244 WeakPolarHBondContact OH-CE1 2.94Å; P224-F244 HydrophobicContact CB-CB 3.79Å; P224-F244 HydrophobicContact CB-CD1 4.03Å; P224-F244 HydrophobicContact CB-CG 4.32Å; P229-F244 HydrophobicContact CB-CE1 4.31Å; P229-F244 HydrophobicContact CB-CE2 3.81Å; P229-F244 HydrophobicContact CB-CZ 3.64Å; P229-F244 HydrophobicContact CG-CD1 4.23Å; P229-F244 HydrophobicContact CG-CD2 3.51Å; P229-F244 HydrophobicContact CG-CE1 3.93Å; P229-F244 HydrophobicContact CG-CE2 3.15Å; P229-F244 HydrophobicContact CG-CG 4.06Å; P229-F244 HydrophobicContact CG-CZ 3.39Å; R237-F244 CarbonylContact O-C 3.34Å; R237-F244 VanDerWaalsContact O-CA 3.29Å; R237-F244 WeakPolarHBondContact O-CA 3.15Å; T239-F244 PolarHBondContact OG1-N 2.74Å; F244-A266 HydrophobicContact CE2-CB 3.73Å; F244-A266 HydrophobicContact CZ-CB 4Å |
| 245 | E | 90.7 | Very high | 77.3 | Confident | 51 Ų | 51 | 86 Ų | 86 | 24% | 0.238 | 45% | 0.447 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 136.1 | 171.5 | -174.6 | 175.7 | -162.6 | 0 | 0 | 110 | R237 T239 K263 | R237-E245 IonicContact CZ-OE2 3.98Å; R237-E245 PolarHBondContact N-O 2.79Å; R237-E245 IonicContact NE-OE2 3.34Å; R237-E245 IonicContact NH2-OE2 2.91Å; R237-E245 PolarHBondContact NH2-OE2 3.25Å; R237-E245 PolarHBondContact O-N 3.16Å; T239-E245 HydrophobicContact CG2-CB 3.8Å; E245-K263 WeakPolarHBondContact OE1-CE 3.48Å; E245-K263 IonicContact OE1-NZ 2.71Å; E245-K263 PolarHBondContact OE1-NZ 2.85Å |
| 246 | C | 87.4 | Confident | 75.6 | Confident | 18 Ų | 18 | 91.1 Ų | 91.1 | 12% | 0.122 | 46% | 0.462 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 129 | 176.7 | -69.7 | 0 | 0 | 0 | 0 | 111.7 | C230 | C230-C246 WeakPolarHBondContact CA-SG 3.04Å; C230-C246 HydrophobicContact CB-CB 3.71Å; C230-C246 WeakPolarHBondContact CB-SG 3.38Å; C230-C246 WeakPolarHBondContact SG-CA 3.18Å; C230-C246 WeakPolarHBondContact SG-CB 3.35Å; C230-C246 CovalentContact SG-SG 2.03Å; C230-C246 PolarHBondContact SG-SG 3.14Å |
| 247 | N | 87 | Confident | 73.8 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 39% | 0.39 | 49% | 0.491 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 122.9 | 174.9 | -69 | -26.6 | 0 | 0 | 0 | 110.5 | G234 T235 | G234-N247 CarbonylContact C-O 3.5Å; G234-N247 VanDerWaalsContact CA-O 3.23Å; G234-N247 WeakPolarHBondContact CA-O 3.03Å; T235-N247 PolarHBondContact N-O 2.83Å; T235-N247 PolarHBondContact O-N 2.77Å |
| 248 | C | 80.7 | Confident | 71.7 | Confident | 52 Ų | 52 | 97.7 Ų | 97.7 | 35% | 0.351 | 49% | 0.49 | S | S | . | . | trans | -72 | 138.4 | 176.4 | -55 | 0 | 0 | 0 | 0 | 111.4 | V253 | C248-V253 HydrophobicContact CB-CG2 4.36Š| ||
| 249 | L | 73.8 | Confident | 69.9 | Low | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.435 | 50% | 0.499 | S | S | . | . | trans | -64.3 | 142.2 | 170.1 | -69.6 | 166.8 | 0 | 0 | 0 | 110.4 | G233 E251 T252 | G233-L249 WeakPolarHBondContact O-CD1 3.5Å; L249-E251 PolarHBondContact O-N 2.6Å; L249-E251 VanDerWaalsContact O-N 3.08Å; L249-T252 PolarHBondContact O-N 2.78Å; L249-T252 PolarHBondContact O-OG1 3.41Å | ||
| 250 | P | 67.7 | Low | 68.1 | Low | 108 Ų | 108 | 100.6 Ų | 100.6 | 70% | 0.701 | 50% | 0.501 | S | S | * | . | G | 310 helix | trans | -56.9 | -29.1 | -172.9 | 19.3 | -30.3 | 0 | 0 | 0 | 113.8 | T252 V253 | P250-T252 VanDerWaalsContact C-N 3.34Å; P250-T252 PolarHBondContact O-N 3.26Å; P250-V253 PolarHBondContact O-N 2.95Å |
| 251 | E | 54.7 | Low | 66.3 | Low | 191 Ų | 191 | 104 Ų | 104 | 89% | 0.893 | 51% | 0.512 | S | S | * | . | G | 310 helix | trans | -75.8 | -16.2 | -175.8 | -60 | -165.3 | 169.5 | 0 | 0 | 114.7 | L249 | L249-E251 PolarHBondContact O-N 2.6Å; L249-E251 VanDerWaalsContact O-N 3.08Å |
| 252 | T | 49 | Very low | 64.5 | Low | 73 Ų | 73 | 98.7 Ų | 98.7 | 45% | 0.448 | 49% | 0.489 | S | S | . | . | G | 310 helix | trans | -89.6 | -2.8 | 173.7 | 58.8 | 0 | 0 | 0 | 0 | 113.1 | L249 P250 R254 | L249-T252 PolarHBondContact O-N 2.78Å; L249-T252 PolarHBondContact O-OG1 3.41Å; P250-T252 VanDerWaalsContact C-N 3.34Å; P250-T252 PolarHBondContact O-N 3.26Å; T252-R254 VanDerWaalsContact C-N 3.33Å; T252-R254 PolarHBondContact O-N 2.84Å |
| 253 | V | 51.5 | Low | 62.9 | Low | 57 Ų | 57 | 101 Ų | 101 | 35% | 0.345 | 50% | 0.498 | S | S | . | . | trans | -94 | 55.9 | -177.7 | -161.4 | 0 | 0 | 0 | 0 | 110.6 | C248 P250 N255 | C248-V253 HydrophobicContact CB-CG2 4.36Å; P250-V253 PolarHBondContact O-N 2.95Å; V253-N255 PolarHBondContact O-N 2.85Å | ||
| 254 | R | 51.9 | Low | 61.1 | Low | 250 Ų | 250 | 106.2 Ų | 106.2 | 94% | 0.943 | 51% | 0.51 | S | S | * | . | S | Bend | trans | -75.6 | -3.2 | 160.8 | -143.6 | -179 | -174.5 | -161.5 | 1.9 | 112.4 | T252 | T252-R254 VanDerWaalsContact C-N 3.33Å; T252-R254 PolarHBondContact O-N 2.84Å |
| 255 | N | 51.2 | Low | 59.1 | Low | 92 Ų | 92 | 108.4 Ų | 108.4 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | trans | -148.9 | 117.3 | 173 | -160.6 | -17.3 | 0 | 0 | 0 | 113 | V253 R257 N258 | V253-N255 PolarHBondContact O-N 2.85Å; N255-R257 PolarHBondContact O-N 2.8Å; N255-R257 PolarHBondContact OD1-N 2.73Å; N255-N258 PolarHBondContact O-N 2.86Å | ||
| 256 | K | 53 | Low | 57 | Low | 190 Ų | 190 | 106.8 Ų | 106.8 | 83% | 0.826 | 52% | 0.516 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.4 | -20.6 | 176.4 | -76.7 | 179.9 | 178.2 | 176.5 | 0 | 113.5 | N258 R259 | K256-N258 VanDerWaalsContact C-N 3.28Å; K256-N258 PolarHBondContact O-N 3.17Å; K256-R259 PolarHBondContact O-N 2.89Å |
| 257 | R | 53.1 | Low | 55.2 | Low | 207 Ų | 207 | 109.9 Ų | 109.9 | 78% | 0.781 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.9 | -28.4 | 173.6 | -104.5 | 178.8 | 176.8 | 176.5 | -0.6 | 113.7 | N255 | N255-R257 PolarHBondContact O-N 2.8Å; N255-R257 PolarHBondContact OD1-N 2.73Å |
| 258 | N | 46.1 | Very low | 53 | Low | 91 Ų | 91 | 111.8 Ų | 111.8 | 49% | 0.487 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -78.4 | -18.4 | -178.3 | -80.5 | 4.5 | 0 | 0 | 0 | 114.3 | N255 K256 A260 L261 G262 | N255-N258 PolarHBondContact O-N 2.86Å; K256-N258 VanDerWaalsContact C-N 3.28Å; K256-N258 PolarHBondContact O-N 3.17Å; N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 2.03Å; N258-L261 PolarHBondContact O-N 2.81Å; N258-L261 VanDerWaalsContact O-N 3.15Å; N258-G262 PolarHBondContact O-N 2.84Å |
| 259 | R | 50.4 | Low | 51.3 | Low | 177 Ų | 177 | 113.7 Ų | 113.7 | 67% | 0.668 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.6 | -32.5 | 178.5 | -146.6 | 179.4 | -161.1 | -170.5 | 5.6 | 112.1 | K256 | K256-R259 PolarHBondContact O-N 2.89Å |
| 260 | A | 50.5 | Low | 50.1 | Low | 58 Ų | 58 | 113.5 Ų | 113.5 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -79.6 | -31 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | N258 R264 | N258-A260 VanDerWaalsContact C-N 3.27Å; N258-A260 PolarHBondContact O-N 2.03Å; A260-R264 WeakPolarHBondContact O-CG 3.38Å; A260-R264 PolarHBondContact O-N 3.15Å |
| 261 | L | 49.3 | Very low | 49.1 | Very low | 98 Ų | 98 | 115.3 Ų | 115.3 | 51% | 0.513 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -44.5 | 176.5 | -136.5 | 88.9 | 0 | 0 | 0 | 110.8 | N258 K263 R264 Q265 | N258-L261 PolarHBondContact O-N 2.81Å; N258-L261 VanDerWaalsContact O-N 3.15Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 3.46Å; L261-R264 PolarHBondContact O-N 3.32Å; L261-R264 VanDerWaalsContact O-N 3.14Å; L261-Q265 PolarHBondContact O-N 2.89Å |
| 262 | G | 46.8 | Very low | 48.5 | Very low | 20 Ų | 20 | 117 Ų | 117 | 21% | 0.206 | 54% | 0.539 | C | S | . | . | H | α-helix | trans | -62.2 | -35.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | N258 | N258-G262 PolarHBondContact O-N 2.84Å |
| 263 | K | 50.7 | Low | 48.3 | Very low | 119 Ų | 119 | 119.3 Ų | 119.3 | 52% | 0.517 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -70.5 | -34 | 173.7 | -72.3 | -169 | 172.2 | -154.6 | 0 | 113 | E245 L261 | E245-K263 WeakPolarHBondContact OE1-CE 3.48Å; E245-K263 IonicContact OE1-NZ 2.71Å; E245-K263 PolarHBondContact OE1-NZ 2.85Å; L261-K263 VanDerWaalsContact C-N 3.35Å; L261-K263 PolarHBondContact O-N 3.46Å |
| 264 | R | 48.9 | Very low | 47.9 | Very low | 187 Ų | 187 | 124.2 Ų | 124.2 | 71% | 0.706 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -76.8 | -34.3 | 179.7 | -74.3 | -179.4 | -175.8 | -134.2 | 0.4 | 112.8 | A260 L261 S267 L268 | A260-R264 WeakPolarHBondContact O-CG 3.38Å; A260-R264 PolarHBondContact O-N 3.15Å; L261-R264 PolarHBondContact O-N 3.32Å; L261-R264 VanDerWaalsContact O-N 3.14Å; R264-S267 PolarHBondContact O-N 3.27Å; R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 2.88Å |
| 265 | Q | 47.2 | Very low | 47.7 | Very low | 82 Ų | 82 | 117.9 Ų | 117.9 | 38% | 0.383 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.2 | -40 | -176.1 | -136.5 | 148.5 | -53.4 | 0 | 0 | 112.6 | L261 S267 L268 E269 | L261-Q265 PolarHBondContact O-N 2.89Å; Q265-S267 VanDerWaalsContact C-N 3.26Å; Q265-S267 PolarHBondContact O-N 2.04Å; Q265-L268 PolarHBondContact O-N 3.44Å; Q265-E269 PolarHBondContact O-N 3.02Å |
| 266 | A | 46.9 | Very low | 47.5 | Very low | 17 Ų | 17 | 119.3 Ų | 119.3 | 14% | 0.14 | 55% | 0.55 | C | S | . | . | H | α-helix | trans | -58.5 | -34.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | F244 | F244-A266 HydrophobicContact CE2-CB 3.73Å; F244-A266 HydrophobicContact CZ-CB 4Å |
| 267 | S | 49.1 | Very low | 47.2 | Very low | 83 Ų | 83 | 115.3 Ų | 115.3 | 58% | 0.58 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -77.8 | -28.1 | 177 | -168.1 | 0 | 0 | 0 | 0 | 112.7 | R264 Q265 | R264-S267 PolarHBondContact O-N 3.27Å; Q265-S267 VanDerWaalsContact C-N 3.26Å; Q265-S267 PolarHBondContact O-N 2.04Å |
| 268 | L | 41.5 | Very low | 46.8 | Very low | 113 Ų | 113 | 109.9 Ų | 109.9 | 59% | 0.592 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -82.5 | -35.8 | -179.9 | -71.7 | 165.6 | 0 | 0 | 0 | 112.6 | R264 Q265 W270 K271 R272 | R264-L268 WeakPolarHBondContact O-CG 3.44Å; R264-L268 PolarHBondContact O-N 2.88Å; Q265-L268 PolarHBondContact O-N 3.44Å; L268-W270 VanDerWaalsContact C-N 3.29Å; L268-W270 PolarHBondContact O-N 3.13Å; L268-K271 PolarHBondContact O-N 2.04Å; L268-R272 PolarHBondContact O-N 2.97Å |
| 269 | E | 44.6 | Very low | 46.9 | Very low | 91 Ų | 91 | 111.1 Ų | 111.1 | 43% | 0.425 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.4 | -34.9 | 175.7 | -83.5 | 173.2 | 109.5 | 0 | 0 | 112 | Q265 K271 R272 T273 | Q265-E269 PolarHBondContact O-N 3.02Å; E269-K271 PolarHBondContact O-N 3.38Å; E269-R272 PolarHBondContact O-N 3.49Å; E269-T273 PolarHBondContact O-N 3.09Å; E269-T273 PolarHBondContact O-OG1 3.32Å |
| 270 | W | 47.6 | Very low | 46.6 | Very low | 79 Ų | 79 | 106.7 Ų | 106.7 | 30% | 0.299 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.3 | -13.6 | 173.4 | -138.5 | 87.3 | 0 | 0 | 0 | 114.1 | Q211 Y222 L268 R274 | Q211-W270 HydrophobicContact CG-CH2 4.35Å; Y222-W270 AromaticContact CZ-NE1 3.58Å; Y222-W270 PolarHBondContact OH-NE1 3.44Å; L268-W270 VanDerWaalsContact C-N 3.29Å; L268-W270 PolarHBondContact O-N 3.13Å; W270-R274 VanDerWaalsContact CE3-NH2 3.34Å; W270-R274 PolarHBondContact O-NE 3.03Å; W270-R274 VanDerWaalsContact O-NE 3.13Å |
| 271 | K | 46.8 | Very low | 46.3 | Very low | 146 Ų | 146 | 110.2 Ų | 110.2 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -92.8 | -18.5 | 169.5 | -79.8 | -172.6 | 176.7 | -174.9 | 0 | 112.9 | L268 E269 | L268-K271 PolarHBondContact O-N 2.04Å; E269-K271 PolarHBondContact O-N 3.38Å |
| 272 | R | 43.5 | Very low | 46.1 | Very low | 227 Ų | 227 | 111.2 Ų | 111.2 | 86% | 0.857 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -92.6 | -21.1 | -172 | -147.8 | 176.7 | -169 | -178.9 | 2 | 113.5 | L268 E269 | L268-R272 PolarHBondContact O-N 2.97Å; E269-R272 PolarHBondContact O-N 3.49Å |
| 273 | T | 44.4 | Very low | 46.1 | Very low | 122 Ų | 122 | 118.8 Ų | 118.8 | 75% | 0.748 | 54% | 0.54 | S | S | * | . | trans | -95.2 | 11.6 | 172.4 | 43.9 | 0 | 0 | 0 | 0 | 113.5 | E269 | E269-T273 PolarHBondContact O-N 3.09Å; E269-T273 PolarHBondContact O-OG1 3.32Å | ||
| 274 | R | 41.6 | Very low | 45.6 | Very low | 159 Ų | 159 | 118.7 Ų | 118.7 | 60% | 0.6 | 54% | 0.542 | S | S | * | . | trans | -96.9 | 0 | 176.6 | -95.6 | -163.5 | -95 | -172 | -5.8 | 113.2 | Q208 W270 | Q208-R274 PolarHBondContact NE2-OXT 3.15Å; W270-R274 VanDerWaalsContact CE3-NH2 3.34Å; W270-R274 PolarHBondContact O-NE 3.03Å; W270-R274 VanDerWaalsContact O-NE 3.13Å |
Retrieved 274 of 274 residues in 108.1 ms
(Link to these results)