| 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 | 60.1 | Low | 85.1 | Confident | 244 Ų | 244 | 96.6 Ų | 96.6 | 100% | 1.202 | 54% | 0.541 | S | S | * | . | 0 | 119 | 0 | -68.3 | 160.5 | -177.6 | 0 | 0 | 107 | A3 | M1-A3 PolarHBondContact O-N 3.4Š| |||
| 2 | A | 77.8 | Confident | 85.1 | Confident | 95 Ų | 95 | 93.5 Ų | 93.5 | 79% | 0.785 | 55% | 0.547 | S | S | * | . | trans | -63.8 | 129.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | N4 | A2-N4 PolarHBondContact O-N 3.27Š| ||
| 3 | A | 81.8 | Confident | 85.5 | Confident | 76 Ų | 76 | 97.5 Ų | 97.5 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | trans | -66.1 | 125.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 109 | M1 K5 T14 | M1-A3 PolarHBondContact O-N 3.4Å; A3-K5 PolarHBondContact O-N 3.13Å; A3-T14 HydrophobicContact CB-CG2 3.9Å | ||
| 4 | N | 88.2 | Confident | 86 | Confident | 69 Ų | 69 | 95.5 Ų | 95.5 | 37% | 0.369 | 54% | 0.544 | S | S | . | . | trans | -69.1 | 114.1 | 177 | -69.9 | -27.4 | 0 | 0 | 0 | 108.8 | A2 V15 E20 V27 | A2-N4 PolarHBondContact O-N 3.27Å; N4-V15 PolarHBondContact O-N 2.89Å; N4-E20 PolarHBondContact ND2-OE1 3.46Å; N4-V27 HydrophobicContact CB-CB 3.92Å; N4-V27 HydrophobicContact CB-CG1 3.97Å; N4-V27 HydrophobicContact CB-CG2 3.78Å | ||
| 5 | K | 91.3 | Very high | 86.5 | Confident | 146 Ų | 146 | 89.9 Ų | 89.9 | 64% | 0.635 | 51% | 0.512 | S | S | * | . | B | Isolated β-bridge | trans | -85 | 148 | 173.5 | 63.9 | 177.6 | -177.7 | -74.1 | 0 | 110.6 | A3 A7 | A3-K5 PolarHBondContact O-N 3.13Å; K5-A7 PolarHBondContact O-N 3.31Å |
| 6 | C | 93 | Very high | 86.6 | Confident | 6 Ų | 6 | 94.3 Ų | 94.3 | 4% | 0.041 | 52% | 0.52 | C | S | . | . | B | Isolated β-bridge | trans | -66.4 | 131.5 | 175.1 | -174.8 | 0 | 0 | 0 | 0 | 110.8 | R8 C11 K13 V15 V27 H29 | C6-R8 VanDerWaalsContact C-N 3.26Å; C6-R8 PolarHBondContact O-N 3.19Å; C6-C11 HydrophobicContact CB-CB 4.14Å; C6-K13 PolarHBondContact N-O 3.22Å; C6-V15 HydrophobicContact CB-CG2 3.71Å; C6-V27 CarbonylContact C-O 3.56Å; C6-V27 VanDerWaalsContact CA-O 3.27Å; C6-V27 WeakPolarHBondContact CA-O 3.15Å; C6-H29 VanDerWaalsContact CB-CE1 3.48Å; C6-H29 WeakPolarHBondContact CB-CE1 3.21Å; C6-H29 WeakPolarHBondContact CB-ND1 3.48Å; C6-H29 PolarHBondContact SG-ND1 2.95Å; C6-H29 VanDerWaalsContact SG-ND1 3.44Å |
| 7 | A | 90.4 | Very high | 86.8 | Confident | 29 Ų | 29 | 95.2 Ų | 95.2 | 24% | 0.24 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -75.4 | -8.4 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | K5 V9 Q26 V27 W28 | K5-A7 PolarHBondContact O-N 3.31Å; A7-V9 PolarHBondContact O-N 3.42Å; A7-Q26 HydrophobicContact CB-CB 3.55Å; A7-Q26 HydrophobicContact CB-CG 3.89Å; A7-V27 PolarHBondContact N-O 3.43Å; A7-W28 HydrophobicContact CB-CD2 4.2Å; A7-W28 HydrophobicContact CB-CH2 4.05Å; A7-W28 HydrophobicContact CB-CZ2 3.7Å; A7-W28 HydrophobicContact CB-CZ3 4.47Å |
| 8 | R | 89 | Confident | 86.9 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 28% | 0.275 | 55% | 0.548 | S | S | . | . | S | Bend | trans | -70.4 | 118.4 | 169.5 | -173 | -179.2 | 178.7 | -168.7 | 4.7 | 108.9 | C6 E10 C11 W28 C32 | C6-R8 VanDerWaalsContact C-N 3.26Å; C6-R8 PolarHBondContact O-N 3.19Å; R8-E10 HydrophobicContact CG-CB 4.44Å; R8-E10 IonicContact CZ-OE2 2.63Å; R8-E10 IonicContact NE-OE2 3.12Å; R8-E10 PolarHBondContact NE-OE2 2.62Å; R8-E10 VanDerWaalsContact NE-OE2 3.14Å; R8-E10 IonicContact NH2-OE2 2.82Å; R8-E10 PolarHBondContact NH2-OE2 2.86Å; R8-E10 PolarHBondContact O-N 3.49Å; R8-E10 VanDerWaalsContact O-N 3.15Å; R8-C11 HydrophobicContact CB-CB 4.25Å; R8-C11 PolarHBondContact O-N 3.38Å; R8-W28 HydrophobicContact CB-CE3 4.08Å; R8-W28 HydrophobicContact CB-CZ3 3.8Å; R8-C32 HydrophobicContact CB-CB 4.11Å |
| 9 | V | 87 | Confident | 87 | Confident | 146 Ų | 146 | 98.9 Ų | 98.9 | 89% | 0.885 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.9 | -39.8 | -177.6 | -177.6 | 0 | 0 | 0 | 0 | 112.3 | A7 C11 | A7-V9 PolarHBondContact O-N 3.42Å; V9-C11 PolarHBondContact O-N 3.35Å |
| 10 | E | 87.6 | Confident | 87.2 | Confident | 152 Ų | 152 | 96 Ų | 96 | 71% | 0.71 | 52% | 0.524 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.5 | -22.1 | -178.4 | -63.4 | 169.4 | -179.3 | 0 | 0 | 114.3 | R8 | R8-E10 HydrophobicContact CG-CB 4.44Å; R8-E10 IonicContact CZ-OE2 2.63Å; R8-E10 IonicContact NE-OE2 3.12Å; R8-E10 PolarHBondContact NE-OE2 2.62Å; R8-E10 VanDerWaalsContact NE-OE2 3.14Å; R8-E10 IonicContact NH2-OE2 2.82Å; R8-E10 PolarHBondContact NH2-OE2 2.86Å; R8-E10 PolarHBondContact O-N 3.49Å; R8-E10 VanDerWaalsContact O-N 3.15Å |
| 11 | C | 90 | Very high | 87.4 | Confident | 27 Ų | 27 | 92.4 Ų | 92.4 | 18% | 0.182 | 50% | 0.504 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -51.8 | -175 | -170.6 | 0 | 0 | 0 | 0 | 111.3 | C6 R8 V9 K13 H29 C32 | C6-C11 HydrophobicContact CB-CB 4.14Å; R8-C11 HydrophobicContact CB-CB 4.25Å; R8-C11 PolarHBondContact O-N 3.38Å; V9-C11 PolarHBondContact O-N 3.35Å; C11-K13 WeakPolarHBondContact O-CG 3.28Å; C11-K13 PolarHBondContact O-N 3.43Å; C11-H29 PolarHBondContact SG-CE1 3.43Å; C11-H29 PolarHBondContact SG-ND1 3.03Å; C11-H29 VanDerWaalsContact SG-ND1 3.37Å; C11-C32 VanDerWaalsContact SG-SG 3.63Å |
| 12 | G | 85.5 | Confident | 88.8 | Confident | 59 Ų | 59 | 87.4 Ų | 87.4 | 61% | 0.608 | 48% | 0.476 | S | S | * | . | trans | 60.5 | -10.3 | 180 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 13 | K | 90.6 | Very high | 89.2 | Confident | 146 Ų | 146 | 83.1 Ų | 83.1 | 64% | 0.635 | 44% | 0.44 | S | S | * | . | P | Polyproline II helix | trans | -77.9 | 154.1 | -175 | -66.6 | 163.9 | -167.1 | -175.9 | 0 | 111.9 | C6 C11 | C6-K13 PolarHBondContact N-O 3.22Å; C11-K13 WeakPolarHBondContact O-CG 3.28Å; C11-K13 PolarHBondContact O-N 3.43Å |
| 14 | T | 92.5 | Very high | 89.5 | Confident | 69 Ų | 69 | 81.6 Ų | 81.6 | 42% | 0.423 | 42% | 0.421 | S | S | . | . | B | Isolated β-bridge | trans | -65.5 | 142.2 | 169.4 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | A3 H29 | A3-T14 HydrophobicContact CB-CG2 3.9Å; T14-H29 PolarHBondContact O-NE2 3.42Å; T14-H29 VanDerWaalsContact O-NE2 3.1Å |
| 15 | V | 92.2 | Very high | 89.5 | Confident | 11 Ų | 11 | 85.4 Ų | 85.4 | 7% | 0.067 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -101.2 | 118.3 | 179.4 | -174.6 | 0 | 0 | 0 | 0 | 108.1 | N4 C6 E20 V27 | N4-V15 PolarHBondContact O-N 2.89Å; C6-V15 HydrophobicContact CB-CG2 3.71Å; V15-E20 HydrophobicContact CG1-CB 3.95Å; V15-E20 HydrophobicContact CG1-CG 4.46Å; V15-V27 HydrophobicContact CB-CG1 3.76Å; V15-V27 HydrophobicContact CG1-CG1 3.81Å; V15-V27 HydrophobicContact CG2-CG1 3.93Å |
| 16 | Y | 89.4 | Confident | 89.4 | Confident | 161 Ų | 161 | 82 Ų | 82 | 63% | 0.631 | 43% | 0.428 | S | S | * | . | P | Polyproline II helix | trans | -76.8 | 148.9 | 174.8 | -67 | -82.4 | 0 | 0 | 0 | 110.3 | M18 E19 E20 | Y16-M18 PolarHBondContact O-N 3.35Å; Y16-E19 PolarHBondContact O-N 2.87Å; Y16-E20 PolarHBondContact O-N 3.49Å |
| 17 | P | 89.3 | Confident | 89.4 | Confident | 110 Ų | 110 | 82.6 Ų | 82.6 | 71% | 0.714 | 43% | 0.431 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.8 | -28.7 | -177.8 | -29.6 | 35.9 | 0 | 0 | 0 | 115.1 | ||
| 18 | M | 88.5 | Confident | 89.5 | Confident | 168 Ų | 168 | 81.8 Ų | 81.8 | 83% | 0.828 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -35.6 | 177.5 | -175.4 | 177.7 | -82.4 | 0 | 0 | 112.9 | Y16 K30 | Y16-M18 PolarHBondContact O-N 3.35Å; M18-K30 VanDerWaalsContact O-CE 3.23Å; M18-K30 WeakPolarHBondContact O-CE 3.4Å |
| 19 | E | 89.7 | Confident | 89.7 | Confident | 93 Ų | 93 | 79 Ų | 79 | 44% | 0.435 | 41% | 0.412 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 3.4 | 179 | -64 | -158.7 | 149.7 | 0 | 0 | 113.4 | Y16 L21 H29 K30 | Y16-E19 PolarHBondContact O-N 2.87Å; E19-L21 PolarHBondContact O-N 2.89Å; E19-H29 IonicContact OE2-CD2 3.82Å; E19-K30 PolarHBondContact O-N 3.41Å |
| 20 | E | 89.9 | Confident | 89.8 | Confident | 39 Ų | 39 | 77.1 Ų | 77.1 | 18% | 0.182 | 39% | 0.392 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 122.9 | -174.3 | -179.7 | 162.4 | -155.6 | 0 | 0 | 111.9 | N4 V15 Y16 K22 V27 | N4-E20 PolarHBondContact ND2-OE1 3.46Å; V15-E20 HydrophobicContact CG1-CB 3.95Å; V15-E20 HydrophobicContact CG1-CG 4.46Å; Y16-E20 PolarHBondContact O-N 3.49Å; E20-K22 HydrophobicContact CG-CG 4.06Å; E20-K22 WeakPolarHBondContact OE1-CE 3.47Å; E20-K22 IonicContact OE1-NZ 2.91Å; E20-V27 HydrophobicContact CG-CG1 3.65Å |
| 21 | L | 90.9 | Very high | 90 | Very high | 21 Ų | 21 | 75.5 Ų | 75.5 | 11% | 0.11 | 38% | 0.384 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 111.2 | 169.3 | -165.7 | 78.2 | 0 | 0 | 0 | 109.1 | E19 W28 F33 M44 | E19-L21 PolarHBondContact O-N 2.89Å; L21-W28 HydrophobicContact CB-CB 4.38Å; L21-W28 WeakPolarHBondContact CB-O 3.35Å; L21-W28 PolarHBondContact N-O 3.37Å; L21-W28 PolarHBondContact O-N 2.95Å; L21-F33 HydrophobicContact CD2-CB 3.81Å; L21-F33 HydrophobicContact CD2-CD1 3.55Å; L21-F33 HydrophobicContact CD2-CD2 4.14Å; L21-F33 HydrophobicContact CD2-CE1 4.08Å; L21-F33 HydrophobicContact CD2-CG 3.59Å; L21-M44 HydrophobicContact CD1-CG 3.6Å; L21-M44 HydrophobicContact CD1-SD 3.98Å; L21-M44 HydrophobicContact CG-CG 4.41Å |
| 22 | K | 90.8 | Very high | 90.1 | Very high | 140 Ų | 140 | 74.9 Ų | 74.9 | 61% | 0.609 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.1 | 112.4 | 178.2 | -62.5 | -179.5 | -179.1 | 175.4 | 0 | 109.5 | E20 V27 | E20-K22 HydrophobicContact CG-CG 4.06Å; E20-K22 WeakPolarHBondContact OE1-CE 3.47Å; E20-K22 IonicContact OE1-NZ 2.91Å; K22-V27 HydrophobicContact CG-CG2 4.36Å |
| 23 | C | 86.6 | Confident | 90.4 | Very high | 4 Ų | 4 | 72.1 Ų | 72.1 | 3% | 0.027 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -147.5 | 140.4 | -179.5 | -76 | 0 | 0 | 0 | 0 | 110 | D25 Q26 W28 F33 | C23-D25 VanDerWaalsContact C-N 3.29Å; C23-D25 PolarHBondContact O-N 3.43Å; C23-Q26 PolarHBondContact N-O 2.98Å; C23-Q26 CarbonylContact O-C 3.56Å; C23-Q26 PolarHBondContact O-N 3.3Å; C23-W28 PolarHBondContact O-NE1 3.28Å; C23-F33 HydrophobicContact CB-CE2 3.69Å; C23-F33 HydrophobicContact CB-CZ 3.9Å |
| 24 | L | 86.3 | Confident | 90.5 | Very high | 45 Ų | 45 | 69 Ų | 69 | 24% | 0.236 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.4 | 41.4 | 178.2 | -54.9 | 170.8 | 0 | 0 | 0 | 113.8 | Q26 Y47 | L24-Q26 PolarHBondContact O-N 3.18Å; L24-Q26 VanDerWaalsContact O-N 3.14Å; L24-Y47 HydrophobicContact CD2-CE2 4.42Å; L24-Y47 HydrophobicContact CG-CE2 4.39Å |
| 25 | D | 88.4 | Confident | 90.5 | Very high | 149 Ų | 149 | 65.8 Ų | 65.8 | 80% | 0.797 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.1 | 23 | -175.8 | -50.6 | -43.4 | 0 | 0 | 0 | 114.5 | C23 | C23-D25 VanDerWaalsContact C-N 3.29Å; C23-D25 PolarHBondContact O-N 3.43Å |
| 26 | Q | 89.8 | Confident | 90.4 | Very high | 75 Ų | 75 | 69.4 Ų | 69.4 | 35% | 0.35 | 34% | 0.341 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 158.6 | -179.5 | -67.5 | -55.5 | -53 | 0 | 0 | 110.4 | A7 C23 L24 | A7-Q26 HydrophobicContact CB-CB 3.55Å; A7-Q26 HydrophobicContact CB-CG 3.89Å; C23-Q26 PolarHBondContact N-O 2.98Å; C23-Q26 CarbonylContact O-C 3.56Å; C23-Q26 PolarHBondContact O-N 3.3Å; L24-Q26 PolarHBondContact O-N 3.18Å; L24-Q26 VanDerWaalsContact O-N 3.14Å |
| 27 | V | 92.6 | Very high | 90.5 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 10% | 0.103 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.1 | 132.5 | 178.7 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | N4 C6 A7 V15 E20 K22 | N4-V27 HydrophobicContact CB-CB 3.92Å; N4-V27 HydrophobicContact CB-CG1 3.97Å; N4-V27 HydrophobicContact CB-CG2 3.78Å; C6-V27 CarbonylContact C-O 3.56Å; C6-V27 VanDerWaalsContact CA-O 3.27Å; C6-V27 WeakPolarHBondContact CA-O 3.15Å; A7-V27 PolarHBondContact N-O 3.43Å; V15-V27 HydrophobicContact CB-CG1 3.76Å; V15-V27 HydrophobicContact CG1-CG1 3.81Å; V15-V27 HydrophobicContact CG2-CG1 3.93Å; E20-V27 HydrophobicContact CG-CG1 3.65Å; K22-V27 HydrophobicContact CG-CG2 4.36Å |
| 28 | W | 92.9 | Very high | 90.7 | Very high | 13 Ų | 13 | 63.2 Ų | 63.2 | 5% | 0.049 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.2 | 146.9 | -177.5 | -56.3 | 79.9 | 0 | 0 | 0 | 109.5 | A7 R8 L21 C23 F33 P54 | A7-W28 HydrophobicContact CB-CD2 4.2Å; A7-W28 HydrophobicContact CB-CH2 4.05Å; A7-W28 HydrophobicContact CB-CZ2 3.7Å; A7-W28 HydrophobicContact CB-CZ3 4.47Å; R8-W28 HydrophobicContact CB-CE3 4.08Å; R8-W28 HydrophobicContact CB-CZ3 3.8Å; L21-W28 HydrophobicContact CB-CB 4.38Å; L21-W28 WeakPolarHBondContact CB-O 3.35Å; L21-W28 PolarHBondContact N-O 3.37Å; L21-W28 PolarHBondContact O-N 2.95Å; C23-W28 PolarHBondContact O-NE1 3.28Å; W28-F33 HydrophobicContact CB-CB 4.27Å; W28-F33 HydrophobicContact CB-CD2 4.14Å; W28-F33 AromaticContact CD2-CD2 3.85Å; W28-F33 HydrophobicContact CD2-CD2 3.85Å; W28-F33 HydrophobicContact CD2-CE2 4.49Å; W28-F33 HydrophobicContact CE3-CD2 4.26Å; W28-F33 AromaticContact CG-CD2 3.77Å; W28-F33 HydrophobicContact CG-CD2 3.77Å; W28-F33 HydrophobicContact CG-CE2 4.43Å; W28-P54 HydrophobicContact CH2-CG 4.11Å; W28-P54 HydrophobicContact CZ2-CG 4.37Å; W28-P54 HydrophobicContact CZ3-CG 4.28Å |
| 29 | H | 92.3 | Very high | 90.7 | Very high | 15 Ų | 15 | 57.9 Ų | 57.9 | 7% | 0.069 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.3 | 147.5 | 160.7 | -55.7 | 99.1 | 0 | 0 | 0 | 109 | C6 C11 T14 E19 Q31 C32 F33 | C6-H29 VanDerWaalsContact CB-CE1 3.48Å; C6-H29 WeakPolarHBondContact CB-CE1 3.21Å; C6-H29 WeakPolarHBondContact CB-ND1 3.48Å; C6-H29 PolarHBondContact SG-ND1 2.95Å; C6-H29 VanDerWaalsContact SG-ND1 3.44Å; C11-H29 PolarHBondContact SG-CE1 3.43Å; C11-H29 PolarHBondContact SG-ND1 3.03Å; C11-H29 VanDerWaalsContact SG-ND1 3.37Å; T14-H29 PolarHBondContact O-NE2 3.42Å; T14-H29 VanDerWaalsContact O-NE2 3.1Å; E19-H29 IonicContact OE2-CD2 3.82Å; H29-Q31 PolarHBondContact O-N 2.98Å; H29-Q31 VanDerWaalsContact O-N 3.07Å; H29-C32 HydrophobicContact CB-CB 3.92Å; H29-C32 PolarHBondContact O-N 3.3Å; H29-F33 PolarHBondContact O-N 2.86Å |
| 30 | K | 90.9 | Very high | 90.7 | Very high | 106 Ų | 106 | 58.4 Ų | 58.4 | 46% | 0.461 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -50.2 | -35.7 | 174.4 | -60 | -176.7 | -167.3 | -63.3 | 0 | 112.8 | M18 E19 | M18-K30 VanDerWaalsContact O-CE 3.23Å; M18-K30 WeakPolarHBondContact O-CE 3.4Å; E19-K30 PolarHBondContact O-N 3.41Å |
| 31 | Q | 90.6 | Very high | 90.9 | Very high | 118 Ų | 118 | 59.1 Ų | 59.1 | 55% | 0.551 | 31% | 0.314 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.4 | -16.1 | 179.3 | -62.9 | -60.8 | -25.9 | 0 | 0 | 114.6 | H29 R34 | H29-Q31 PolarHBondContact O-N 2.98Å; H29-Q31 VanDerWaalsContact O-N 3.07Å; Q31-R34 PolarHBondContact O-NE 2.82Å; Q31-R34 PolarHBondContact O-NH2 2.82Å |
| 32 | C | 92.1 | Very high | 90.9 | Very high | 14 Ų | 14 | 58.3 Ų | 58.3 | 10% | 0.095 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | -15 | -179.8 | -70.7 | 0 | 0 | 0 | 0 | 112.7 | R8 C11 H29 R34 | R8-C32 HydrophobicContact CB-CB 4.11Å; C11-C32 VanDerWaalsContact SG-SG 3.63Å; H29-C32 HydrophobicContact CB-CB 3.92Å; H29-C32 PolarHBondContact O-N 3.3Å; C32-R34 VanDerWaalsContact C-N 3.32Å; C32-R34 PolarHBondContact O-N 3.39Å |
| 33 | F | 92.5 | Very high | 90.8 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 31% | 0.305 | C | S | . | . | trans | -74.5 | 84.4 | 178.1 | -165.1 | -120.6 | 0 | 0 | 0 | 110.3 | L21 C23 W28 H29 L42 Y47 P54 | L21-F33 HydrophobicContact CD2-CB 3.81Å; L21-F33 HydrophobicContact CD2-CD1 3.55Å; L21-F33 HydrophobicContact CD2-CD2 4.14Å; L21-F33 HydrophobicContact CD2-CE1 4.08Å; L21-F33 HydrophobicContact CD2-CG 3.59Å; C23-F33 HydrophobicContact CB-CE2 3.69Å; C23-F33 HydrophobicContact CB-CZ 3.9Å; W28-F33 HydrophobicContact CB-CB 4.27Å; W28-F33 HydrophobicContact CB-CD2 4.14Å; W28-F33 AromaticContact CD2-CD2 3.85Å; W28-F33 HydrophobicContact CD2-CD2 3.85Å; W28-F33 HydrophobicContact CD2-CE2 4.49Å; W28-F33 HydrophobicContact CE3-CD2 4.26Å; W28-F33 AromaticContact CG-CD2 3.77Å; W28-F33 HydrophobicContact CG-CD2 3.77Å; W28-F33 HydrophobicContact CG-CE2 4.43Å; H29-F33 PolarHBondContact O-N 2.86Å; F33-L42 HydrophobicContact CD1-CB 3.69Å; F33-L42 WeakPolarHBondContact CD1-O 3.24Å; F33-L42 HydrophobicContact CE1-CB 3.82Å; F33-L42 PolarHBondContact O-N 3Å; F33-Y47 VanDerWaalsContact CE1-CB 3.48Å; F33-Y47 AromaticContact CE1-CD1 3.87Å; F33-Y47 HydrophobicContact CE1-CD1 3.87Å; F33-Y47 HydrophobicContact CE1-CD2 4.3Å; F33-Y47 AromaticContact CE1-CG 3.63Å; F33-Y47 HydrophobicContact CE1-CG 3.63Å; F33-Y47 AromaticContact CZ-CD1 3.88Å; F33-Y47 HydrophobicContact CZ-CD1 3.88Å; F33-Y47 AromaticContact CZ-CD2 3.62Å; F33-Y47 HydrophobicContact CZ-CD2 3.62Å; F33-Y47 HydrophobicContact CZ-CE1 4.44Å; F33-Y47 HydrophobicContact CZ-CE2 4.21Å; F33-Y47 AromaticContact CZ-CG 3.42Å; F33-Y47 HydrophobicContact CZ-CG 3.42Å; F33-Y47 VanDerWaalsContact CZ-CG 3.42Å; F33-P54 HydrophobicContact CD2-CB 3.93Å; F33-P54 HydrophobicContact CD2-CG 3.85Å; F33-P54 HydrophobicContact CE1-CB 4.49Å; F33-P54 HydrophobicContact CE2-CB 3.4Å; F33-P54 VanDerWaalsContact CE2-CB 3.4Å; F33-P54 HydrophobicContact CE2-CG 3.77Å; F33-P54 HydrophobicContact CZ-CB 3.72Å | ||
| 34 | R | 91.6 | Very high | 90.9 | Very high | 80 Ų | 80 | 60.3 Ų | 60.3 | 30% | 0.302 | 33% | 0.327 | S | S | . | . | B | Isolated β-bridge | trans | -124.3 | 144.2 | -172.6 | -67.6 | 174.7 | -176.4 | -92.9 | -4.1 | 111.4 | Q31 C32 S36 A39 M40 V41 P54 | Q31-R34 PolarHBondContact O-NE 2.82Å; Q31-R34 PolarHBondContact O-NH2 2.82Å; C32-R34 VanDerWaalsContact C-N 3.32Å; C32-R34 PolarHBondContact O-N 3.39Å; R34-S36 PolarHBondContact O-N 3.29Å; R34-A39 WeakPolarHBondContact CD-O 3.45Å; R34-A39 WeakPolarHBondContact CG-O 3.35Å; R34-A39 PolarHBondContact NH1-O 3.49Å; R34-A39 VanDerWaalsContact NH1-O 3.12Å; R34-M40 CarbonylContact C-O 3.52Å; R34-M40 VanDerWaalsContact CA-O 3.23Å; R34-M40 WeakPolarHBondContact CA-O 3.2Å; R34-V41 HydrophobicContact CG-CG2 4.13Å; R34-P54 WeakPolarHBondContact O-CG 3.47Å |
| 35 | C | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 67.2 Ų | 67.2 | 2% | 0.02 | 36% | 0.356 | C | S | . | . | trans | -60.3 | 129.8 | 174.1 | 177.6 | 0 | 0 | 0 | 0 | 110.7 | T37 C38 A39 M40 L42 P54 C56 | C35-T37 PolarHBondContact O-N 2.85Å; C35-T37 VanDerWaalsContact O-N 3.13Å; C35-T37 PolarHBondContact SG-N 2.91Å; C35-T37 VanDerWaalsContact SG-N 3.44Å; C35-C38 WeakPolarHBondContact CB-SG 3.27Å; C35-A39 VanDerWaalsContact O-CA 3.24Å; C35-A39 WeakPolarHBondContact O-CA 3.34Å; C35-A39 PolarHBondContact O-N 3.41Å; C35-M40 PolarHBondContact N-O 3.39Å; C35-L42 HydrophobicContact CB-CD1 3.9Å; C35-L42 HydrophobicContact CB-CG 4.33Å; C35-P54 WeakPolarHBondContact CA-O 3.46Å; C35-C56 HydrophobicContact CB-CB 4.17Å; C35-C56 PolarHBondContact SG-N 2.99Å | ||
| 36 | S | 90.4 | Very high | 91.1 | Very high | 86 Ų | 86 | 65 Ų | 65 | 60% | 0.601 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.1 | -24.6 | 178.7 | -168 | 0 | 0 | 0 | 0 | 114 | R34 P54 | R34-S36 PolarHBondContact O-N 3.29Å; S36-P54 PolarHBondContact N-O 3.2Å |
| 37 | T | 91.4 | Very high | 91.2 | Very high | 88 Ų | 88 | 64.6 Ų | 64.6 | 54% | 0.54 | 34% | 0.34 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | -41.2 | -176.1 | -47.3 | 0 | 0 | 0 | 0 | 112.8 | C35 H59 | C35-T37 PolarHBondContact O-N 2.85Å; C35-T37 VanDerWaalsContact O-N 3.13Å; C35-T37 PolarHBondContact SG-N 2.91Å; C35-T37 VanDerWaalsContact SG-N 3.44Å; T37-H59 HydrophobicContact CG2-CB 4.27Å |
| 38 | C | 92.9 | Very high | 91.2 | Very high | 53 Ų | 53 | 66.9 Ų | 66.9 | 36% | 0.358 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -0.8 | -178.8 | 56.2 | 0 | 0 | 0 | 0 | 116 | C35 M40 C56 H59 | C35-C38 WeakPolarHBondContact CB-SG 3.27Å; C38-M40 PolarHBondContact O-N 3.3Å; C38-C56 VanDerWaalsContact SG-SG 3.69Å; C38-H59 PolarHBondContact SG-ND1 3.13Å |
| 39 | A | 89.1 | Confident | 91.1 | Very high | 57 Ų | 57 | 67.6 Ų | 67.6 | 47% | 0.471 | 36% | 0.359 | S | S | . | . | trans | 55 | 8.9 | -176.7 | 0 | 0 | 0 | 0 | 0 | 115.9 | R34 C35 | R34-A39 WeakPolarHBondContact CD-O 3.45Å; R34-A39 WeakPolarHBondContact CG-O 3.35Å; R34-A39 PolarHBondContact NH1-O 3.49Å; R34-A39 VanDerWaalsContact NH1-O 3.12Å; C35-A39 VanDerWaalsContact O-CA 3.24Å; C35-A39 WeakPolarHBondContact O-CA 3.34Å; C35-A39 PolarHBondContact O-N 3.41Å | ||
| 40 | M | 90.9 | Very high | 90.9 | Very high | 104 Ų | 104 | 71.7 Ų | 71.7 | 51% | 0.512 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -66.1 | 134 | 176 | -175.4 | 173.5 | 71.6 | 0 | 0 | 109.8 | R34 C35 C38 L42 C56 | R34-M40 CarbonylContact C-O 3.52Å; R34-M40 VanDerWaalsContact CA-O 3.23Å; R34-M40 WeakPolarHBondContact CA-O 3.2Å; C35-M40 PolarHBondContact N-O 3.39Å; C38-M40 PolarHBondContact O-N 3.3Å; M40-L42 HydrophobicContact CE-CD2 4.08Å; M40-L42 PolarHBondContact O-N 3.49Å; M40-C56 HydrophobicContact CE-CB 3.95Å |
| 41 | V | 92.3 | Very high | 90.7 | Very high | 54 Ų | 54 | 72.4 Ų | 72.4 | 33% | 0.327 | 38% | 0.384 | S | S | . | . | B | Isolated β-bridge | trans | -64.6 | 121.3 | 174.1 | -176.3 | 0 | 0 | 0 | 0 | 108.4 | R34 | R34-V41 HydrophobicContact CG-CG2 4.13Å |
| 42 | L | 91.2 | Very high | 90.4 | Very high | 4 Ų | 4 | 73 Ų | 73 | 2% | 0.021 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -94.3 | 155.8 | 176.3 | -62.2 | 169.6 | 0 | 0 | 0 | 108.8 | F33 C35 M40 P54 Y55 C56 | F33-L42 HydrophobicContact CD1-CB 3.69Å; F33-L42 WeakPolarHBondContact CD1-O 3.24Å; F33-L42 HydrophobicContact CE1-CB 3.82Å; F33-L42 PolarHBondContact O-N 3Å; C35-L42 HydrophobicContact CB-CD1 3.9Å; C35-L42 HydrophobicContact CB-CG 4.33Å; M40-L42 HydrophobicContact CE-CD2 4.08Å; M40-L42 PolarHBondContact O-N 3.49Å; L42-P54 HydrophobicContact CD1-CB 3.97Å; L42-Y55 VanDerWaalsContact CD1-C 3.45Å; L42-Y55 WeakPolarHBondContact CD1-O 3.38Å; L42-C56 HydrophobicContact CD2-CB 3.75Å |
| 43 | T | 89.9 | Confident | 90.2 | Very high | 84 Ų | 84 | 74.7 Ų | 74.7 | 52% | 0.515 | 39% | 0.394 | S | S | . | . | trans | -118.6 | 163.9 | 173.2 | -53.5 | 0 | 0 | 0 | 0 | 107.7 | K45 N46 Y47 | T43-K45 PolarHBondContact O-N 3.48Å; T43-N46 PolarHBondContact O-N 3.42Å; T43-Y47 PolarHBondContact O-N 2.87Å | ||
| 44 | M | 87.7 | Confident | 90.2 | Very high | 101 Ų | 101 | 74.9 Ų | 74.9 | 50% | 0.498 | 40% | 0.396 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -25.1 | 177.4 | -67.1 | -149.4 | 72.3 | 0 | 0 | 114.6 | L21 Y47 | L21-M44 HydrophobicContact CD1-CG 3.6Å; L21-M44 HydrophobicContact CD1-SD 3.98Å; L21-M44 HydrophobicContact CG-CG 4.41Å; M44-Y47 VanDerWaalsContact O-CD1 3.25Å; M44-Y47 WeakPolarHBondContact O-CD1 3.31Å; M44-Y47 VanDerWaalsContact O-CE1 3.28Å; M44-Y47 WeakPolarHBondContact O-CE1 3.42Å |
| 45 | K | 89.9 | Confident | 90.3 | Very high | 190 Ų | 190 | 73 Ų | 73 | 83% | 0.826 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -29 | 178.8 | -60.1 | -176.3 | -179.6 | -178.2 | 0 | 114 | T43 | T43-K45 PolarHBondContact O-N 3.48Š|
| 46 | N | 89.7 | Confident | 90.3 | Very high | 104 Ų | 104 | 73.2 Ų | 73.2 | 56% | 0.556 | 39% | 0.39 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -111.6 | 6 | -165.7 | -63.8 | -9.9 | 0 | 0 | 0 | 113.6 | T43 | T43-N46 PolarHBondContact O-N 3.42Š|
| 47 | Y | 91.6 | Very high | 90.3 | Very high | 65 Ų | 65 | 74.3 Ų | 74.3 | 26% | 0.255 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 150.7 | -178.7 | 87.3 | -85.6 | 0 | 0 | 0 | 111.8 | L24 F33 T43 M44 | L24-Y47 HydrophobicContact CD2-CE2 4.42Å; L24-Y47 HydrophobicContact CG-CE2 4.39Å; F33-Y47 VanDerWaalsContact CE1-CB 3.48Å; F33-Y47 AromaticContact CE1-CD1 3.87Å; F33-Y47 HydrophobicContact CE1-CD1 3.87Å; F33-Y47 HydrophobicContact CE1-CD2 4.3Å; F33-Y47 AromaticContact CE1-CG 3.63Å; F33-Y47 HydrophobicContact CE1-CG 3.63Å; F33-Y47 AromaticContact CZ-CD1 3.88Å; F33-Y47 HydrophobicContact CZ-CD1 3.88Å; F33-Y47 AromaticContact CZ-CD2 3.62Å; F33-Y47 HydrophobicContact CZ-CD2 3.62Å; F33-Y47 HydrophobicContact CZ-CE1 4.44Å; F33-Y47 HydrophobicContact CZ-CE2 4.21Å; F33-Y47 AromaticContact CZ-CG 3.42Å; F33-Y47 HydrophobicContact CZ-CG 3.42Å; F33-Y47 VanDerWaalsContact CZ-CG 3.42Å; T43-Y47 PolarHBondContact O-N 2.87Å; M44-Y47 VanDerWaalsContact O-CD1 3.25Å; M44-Y47 WeakPolarHBondContact O-CD1 3.31Å; M44-Y47 VanDerWaalsContact O-CE1 3.28Å; M44-Y47 WeakPolarHBondContact O-CE1 3.42Å |
| 48 | K | 92.1 | Very high | 90.3 | Very high | 66 Ų | 66 | 74.2 Ų | 74.2 | 29% | 0.287 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 128.7 | 163.1 | -57.7 | -170.5 | -165 | -80.1 | 0 | 108 | Y55 E57 Y60 | K48-Y55 PolarHBondContact N-O 3.08Å; K48-Y55 WeakPolarHBondContact O-CA 3.35Å; K48-Y55 PolarHBondContact O-N 3.41Å; K48-E57 VanDerWaalsContact CE-CG 3.45Å; K48-E57 WeakPolarHBondContact CE-OE1 3.24Å; K48-E57 IonicContact NZ-OE1 3.54Å; K48-E57 PolarHBondContact NZ-OE1 3.48Å; K48-Y60 HydrophobicContact CB-CD1 4.42Å; K48-Y60 HydrophobicContact CB-CD2 3.37Å; K48-Y60 HydrophobicContact CB-CE2 3.99Å; K48-Y60 HydrophobicContact CB-CG 3.62Å; K48-Y60 HydrophobicContact CD-CD1 3.66Å; K48-Y60 HydrophobicContact CD-CD2 4.17Å; K48-Y60 HydrophobicContact CD-CE1 4.34Å; K48-Y60 HydrophobicContact CD-CG 3.56Å; K48-Y60 HydrophobicContact CG-CD2 4.41Å; K48-Y60 HydrophobicContact CG-CG 4.22Å |
| 49 | G | 90 | Very high | 90.1 | Very high | 27 Ų | 27 | 75.3 Ų | 75.3 | 28% | 0.278 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 50 | Y | 88.5 | Confident | 90.1 | Very high | 102 Ų | 102 | 76.3 Ų | 76.3 | 40% | 0.4 | 39% | 0.386 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.7 | 130.3 | 171.2 | -177.3 | -103.3 | 0 | 0 | 0 | 108.3 | K52 T53 Y55 P61 | Y50-K52 VanDerWaalsContact C-N 3.32Å; Y50-K52 PolarHBondContact O-N 2.94Å; Y50-T53 PolarHBondContact N-O 3.23Å; Y50-T53 PolarHBondContact O-N 2.72Å; Y50-T53 VanDerWaalsContact O-O 3.13Å; Y50-T53 PolarHBondContact O-OG1 2.83Å; Y50-Y55 HydrophobicContact CD1-CE2 4.27Å; Y50-Y55 HydrophobicContact CG-CE2 4.48Å; Y50-P61 HydrophobicContact CD1-CG 3.53Å; Y50-P61 HydrophobicContact CD2-CG 3.7Å; Y50-P61 HydrophobicContact CE1-CG 3.76Å; Y50-P61 HydrophobicContact CE2-CG 3.94Å; Y50-P61 HydrophobicContact CG-CG 3.49Å; Y50-P61 VanDerWaalsContact CG-CG 3.49Å |
| 51 | N | 86.2 | Confident | 89.9 | Confident | 121 Ų | 121 | 74.1 Ų | 74.1 | 65% | 0.647 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 47.5 | -177.2 | -65.8 | -25.9 | 0 | 0 | 0 | 114.6 | T53 | N51-T53 PolarHBondContact O-N 2.96Å; N51-T53 VanDerWaalsContact O-N 3.11Å |
| 52 | K | 85.8 | Confident | 89.4 | Confident | 130 Ų | 130 | 77.9 Ų | 77.9 | 57% | 0.565 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.2 | 16.5 | -179.1 | -56 | 171.6 | -178.1 | -86.8 | 0 | 115.3 | Y50 | Y50-K52 VanDerWaalsContact C-N 3.32Å; Y50-K52 PolarHBondContact O-N 2.94Å |
| 53 | T | 88.3 | Confident | 88.7 | Confident | 49 Ų | 49 | 82.6 Ų | 82.6 | 30% | 0.301 | 43% | 0.431 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.7 | 139 | 174.4 | 52.7 | 0 | 0 | 0 | 0 | 110.5 | Y50 N51 Y55 | Y50-T53 PolarHBondContact N-O 3.23Å; Y50-T53 PolarHBondContact O-N 2.72Å; Y50-T53 VanDerWaalsContact O-O 3.13Å; Y50-T53 PolarHBondContact O-OG1 2.83Å; N51-T53 PolarHBondContact O-N 2.96Å; N51-T53 VanDerWaalsContact O-N 3.11Å; T53-Y55 WeakPolarHBondContact O-CD2 3.49Å; T53-Y55 WeakPolarHBondContact O-CE2 3.31Å; T53-Y55 WeakPolarHBondContact OG1-CE2 3.24Å; T53-Y55 PolarHBondContact OG1-OH 3.45Å |
| 54 | P | 92.3 | Very high | 87.7 | Confident | 4 Ų | 4 | 87.7 Ų | 87.7 | 3% | 0.026 | 45% | 0.446 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.6 | 134.4 | 179.8 | 31.3 | -33.4 | 0 | 0 | 0 | 111.7 | W28 F33 R34 C35 S36 L42 | W28-P54 HydrophobicContact CH2-CG 4.11Å; W28-P54 HydrophobicContact CZ2-CG 4.37Å; W28-P54 HydrophobicContact CZ3-CG 4.28Å; F33-P54 HydrophobicContact CD2-CB 3.93Å; F33-P54 HydrophobicContact CD2-CG 3.85Å; F33-P54 HydrophobicContact CE1-CB 4.49Å; F33-P54 HydrophobicContact CE2-CB 3.4Å; F33-P54 VanDerWaalsContact CE2-CB 3.4Å; F33-P54 HydrophobicContact CE2-CG 3.77Å; F33-P54 HydrophobicContact CZ-CB 3.72Å; R34-P54 WeakPolarHBondContact O-CG 3.47Å; C35-P54 WeakPolarHBondContact CA-O 3.46Å; S36-P54 PolarHBondContact N-O 3.2Å; L42-P54 HydrophobicContact CD1-CB 3.97Å |
| 55 | Y | 92.6 | Very high | 86.5 | Confident | 41 Ų | 41 | 87.6 Ų | 87.6 | 16% | 0.161 | 46% | 0.461 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.2 | 153.8 | 173.6 | -64.6 | -93.5 | 0 | 0 | 0 | 110.6 | L42 K48 Y50 T53 H59 | L42-Y55 VanDerWaalsContact CD1-C 3.45Å; L42-Y55 WeakPolarHBondContact CD1-O 3.38Å; K48-Y55 PolarHBondContact N-O 3.08Å; K48-Y55 WeakPolarHBondContact O-CA 3.35Å; K48-Y55 PolarHBondContact O-N 3.41Å; Y50-Y55 HydrophobicContact CD1-CE2 4.27Å; Y50-Y55 HydrophobicContact CG-CE2 4.48Å; T53-Y55 WeakPolarHBondContact O-CD2 3.49Å; T53-Y55 WeakPolarHBondContact O-CE2 3.31Å; T53-Y55 WeakPolarHBondContact OG1-CE2 3.24Å; T53-Y55 PolarHBondContact OG1-OH 3.45Å; Y55-H59 HydrophobicContact CD1-CB 4.28Å |
| 56 | C | 92.9 | Very high | 85.2 | Confident | 7 Ų | 7 | 83.2 Ų | 83.2 | 5% | 0.047 | 45% | 0.454 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75 | 164.8 | 167.3 | 67.7 | 0 | 0 | 0 | 0 | 110.1 | C35 C38 M40 L42 A58 H59 Y60 | C35-C56 HydrophobicContact CB-CB 4.17Å; C35-C56 PolarHBondContact SG-N 2.99Å; C38-C56 VanDerWaalsContact SG-SG 3.69Å; M40-C56 HydrophobicContact CE-CB 3.95Å; L42-C56 HydrophobicContact CD2-CB 3.75Å; C56-A58 PolarHBondContact O-N 3.18Å; C56-A58 VanDerWaalsContact O-N 3.17Å; C56-H59 PolarHBondContact O-N 3.46Å; C56-H59 VanDerWaalsContact O-N 3.16Å; C56-H59 VanDerWaalsContact SG-CG 3.54Å; C56-H59 PolarHBondContact SG-N 3.08Å; C56-H59 PolarHBondContact SG-ND1 2.82Å; C56-Y60 PolarHBondContact O-N 2.92Å |
| 57 | E | 89.7 | Confident | 84 | Confident | 110 Ų | 110 | 84.5 Ų | 84.5 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -30.1 | 177.3 | 177.1 | 145.7 | -127 | 0 | 0 | 114 | K48 | K48-E57 VanDerWaalsContact CE-CG 3.45Å; K48-E57 WeakPolarHBondContact CE-OE1 3.24Å; K48-E57 IonicContact NZ-OE1 3.54Å; K48-E57 PolarHBondContact NZ-OE1 3.48Å |
| 58 | A | 91.7 | Very high | 82.6 | Confident | 85 Ų | 85 | 86.3 Ų | 86.3 | 70% | 0.702 | 48% | 0.483 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -36.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | C56 | C56-A58 PolarHBondContact O-N 3.18Å; C56-A58 VanDerWaalsContact O-N 3.17Å |
| 59 | H | 89.7 | Confident | 81.1 | Confident | 77 Ų | 77 | 87.3 Ų | 87.3 | 36% | 0.356 | 50% | 0.504 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -1.9 | -177 | -63.3 | 133.8 | 0 | 0 | 0 | 114 | T37 C38 Y55 C56 P61 | T37-H59 HydrophobicContact CG2-CB 4.27Å; C38-H59 PolarHBondContact SG-ND1 3.13Å; Y55-H59 HydrophobicContact CD1-CB 4.28Å; C56-H59 PolarHBondContact O-N 3.46Å; C56-H59 VanDerWaalsContact O-N 3.16Å; C56-H59 VanDerWaalsContact SG-CG 3.54Å; C56-H59 PolarHBondContact SG-N 3.08Å; C56-H59 PolarHBondContact SG-ND1 2.82Å; H59-P61 WeakPolarHBondContact O-CD 3.46Å |
| 60 | Y | 89.8 | Confident | 80 | Confident | 78 Ų | 78 | 91.4 Ų | 91.4 | 31% | 0.306 | 52% | 0.519 | S | S | . | . | S | Bend | trans | -62.6 | 123.5 | 171.8 | 178.4 | -107.9 | 0 | 0 | 0 | 108.7 | K48 C56 K62 | K48-Y60 HydrophobicContact CB-CD1 4.42Å; K48-Y60 HydrophobicContact CB-CD2 3.37Å; K48-Y60 HydrophobicContact CB-CE2 3.99Å; K48-Y60 HydrophobicContact CB-CG 3.62Å; K48-Y60 HydrophobicContact CD-CD1 3.66Å; K48-Y60 HydrophobicContact CD-CD2 4.17Å; K48-Y60 HydrophobicContact CD-CE1 4.34Å; K48-Y60 HydrophobicContact CD-CG 3.56Å; K48-Y60 HydrophobicContact CG-CD2 4.41Å; K48-Y60 HydrophobicContact CG-CG 4.22Å; C56-Y60 PolarHBondContact O-N 2.92Å; Y60-K62 HydrophobicContact CD1-CB 4.46Å; Y60-K62 HydrophobicContact CD1-CG 3.69Å; Y60-K62 HydrophobicContact CE1-CG 4.26Å; Y60-K62 PolarHBondContact O-N 2.89Å |
| 61 | P | 84.9 | Confident | 79.5 | Confident | 57 Ų | 57 | 89.3 Ų | 89.3 | 37% | 0.37 | 52% | 0.517 | S | S | . | . | trans | -66.4 | 86.1 | 172.5 | 27.5 | -31.9 | 0 | 0 | 0 | 108 | Y50 H59 A63 | Y50-P61 HydrophobicContact CD1-CG 3.53Å; Y50-P61 HydrophobicContact CD2-CG 3.7Å; Y50-P61 HydrophobicContact CE1-CG 3.76Å; Y50-P61 HydrophobicContact CE2-CG 3.94Å; Y50-P61 HydrophobicContact CG-CG 3.49Å; Y50-P61 VanDerWaalsContact CG-CG 3.49Å; H59-P61 WeakPolarHBondContact O-CD 3.46Å; P61-A63 PolarHBondContact O-N 3.49Å | ||
| 62 | K | 81.7 | Confident | 79.1 | Confident | 133 Ų | 133 | 88.7 Ų | 88.7 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | trans | -60 | 127.1 | 166.2 | -66.7 | 178.6 | -176.2 | 178.5 | 0 | 104.8 | Y60 K64 | Y60-K62 HydrophobicContact CD1-CB 4.46Å; Y60-K62 HydrophobicContact CD1-CG 3.69Å; Y60-K62 HydrophobicContact CE1-CG 4.26Å; Y60-K62 PolarHBondContact O-N 2.89Å; K62-K64 PolarHBondContact O-N 3Å | ||
| 63 | A | 76.8 | Confident | 78.7 | Confident | 103 Ų | 103 | 89.3 Ų | 89.3 | 85% | 0.851 | 52% | 0.524 | S | S | * | . | trans | -57.6 | 92.7 | 173 | 0 | 0 | 0 | 0 | 0 | 107.8 | P61 A65 | P61-A63 PolarHBondContact O-N 3.49Å; A63-A65 PolarHBondContact O-N 3.11Å | ||
| 64 | K | 69.5 | Low | 78.4 | Confident | 191 Ų | 191 | 92 Ų | 92 | 83% | 0.83 | 54% | 0.535 | S | S | * | . | trans | -59.8 | 125.2 | 161.1 | 60 | -178.1 | -178.8 | 177.7 | 0 | 104.2 | K62 S66 | K62-K64 PolarHBondContact O-N 3Å; K64-S66 PolarHBondContact O-N 3.16Å | ||
| 65 | A | 62.6 | Low | 78 | Confident | 99 Ų | 99 | 98.4 Ų | 98.4 | 82% | 0.818 | 56% | 0.562 | S | S | * | * | trans | -48.5 | 107.9 | 176 | 0 | 0 | 0 | 0 | 0 | 107.2 | A63 V67 | A63-A65 PolarHBondContact O-N 3.11Å; A65-V67 PolarHBondContact O-N 3.26Å | ||
| 66 | S | 62.4 | Low | 77.7 | Confident | 99 Ų | 99 | 105.8 Ų | 105.8 | 69% | 0.692 | 59% | 0.59 | S | S | * | * | trans | -62.4 | 129.6 | 173.2 | 54.5 | 0 | 0 | 0 | 0 | 105.7 | K64 V68 | K64-S66 PolarHBondContact O-N 3.16Å; S66-V68 PolarHBondContact O-N 3.09Å | ||
| 67 | V | 64.8 | Low | 77.2 | Confident | 130 Ų | 130 | 110.1 Ų | 110.1 | 79% | 0.788 | 61% | 0.612 | S | S | * | * | trans | -48.3 | 109.3 | 171.8 | 179.3 | 0 | 0 | 0 | 0 | 106.5 | A65 A69 | A65-V67 PolarHBondContact O-N 3.26Å; V67-A69 PolarHBondContact O-N 2.74Å | ||
| 68 | V | 61.8 | Low | 76.9 | Confident | 103 Ų | 103 | 111 Ų | 111 | 62% | 0.624 | 62% | 0.616 | S | S | * | * | trans | -54.4 | 115.6 | 170.3 | 172.9 | 0 | 0 | 0 | 0 | 104.4 | S66 D70 T71 | S66-V68 PolarHBondContact O-N 3.09Å; V68-D70 PolarHBondContact O-N 2.9Å; V68-D70 VanDerWaalsContact O-N 3.13Å; V68-T71 HydrophobicContact CG1-CG2 3.87Å | ||
| 69 | A | 61.6 | Low | 76.6 | Confident | 87 Ų | 87 | 112.4 Ų | 112.4 | 72% | 0.719 | 61% | 0.608 | S | S | * | * | trans | -46.1 | 125.3 | 172.7 | 0 | 0 | 0 | 0 | 0 | 107.4 | V67 T71 | V67-A69 PolarHBondContact O-N 2.74Å; A69-T71 PolarHBondContact O-N 3.06Å | ||
| 70 | D | 66.8 | Low | 76.4 | Confident | 114 Ų | 114 | 112.8 Ų | 112.8 | 61% | 0.61 | 61% | 0.613 | S | S | * | * | trans | -41.1 | 111.2 | -167.2 | -64.7 | -45.5 | 0 | 0 | 0 | 110 | V68 M74 | V68-D70 PolarHBondContact O-N 2.9Å; V68-D70 VanDerWaalsContact O-N 3.13Å; D70-M74 HydrophobicContact CB-CB 4.45Å | ||
| 71 | T | 77.6 | Confident | 76.2 | Confident | 57 Ų | 57 | 113.7 Ų | 113.7 | 35% | 0.35 | 63% | 0.627 | S | S | . | * | trans | -54.7 | 144.8 | 176 | 55.7 | 0 | 0 | 0 | 0 | 107.1 | V68 A69 E73 M74 K75 | V68-T71 HydrophobicContact CG1-CG2 3.87Å; A69-T71 PolarHBondContact O-N 3.06Å; T71-E73 CarbonylContact O-C 3.59Å; T71-E73 PolarHBondContact O-N 3.4Å; T71-M74 WeakPolarHBondContact O-CA 3.39Å; T71-M74 WeakPolarHBondContact O-CB 3.37Å; T71-M74 PolarHBondContact O-N 2.99Å; T71-M74 PolarHBondContact OG1-N 2.87Å; T71-K75 PolarHBondContact O-N 2.87Å | ||
| 72 | P | 78.7 | Confident | 76.1 | Confident | 108 Ų | 108 | 115.9 Ų | 115.9 | 70% | 0.701 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -54.6 | -24.7 | -179.3 | 21.7 | -33.4 | 0 | 0 | 0 | 112.1 | R76 | P72-R76 WeakPolarHBondContact O-CG 3.44Å; P72-R76 PolarHBondContact O-N 2.64Å |
| 73 | E | 77.1 | Confident | 76 | Confident | 143 Ų | 143 | 113.9 Ų | 113.9 | 67% | 0.668 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -65.5 | -46.9 | 170.5 | -169.1 | 174.6 | -171.8 | 0 | 0 | 113.5 | T71 K75 R76 L77 | T71-E73 CarbonylContact O-C 3.59Å; T71-E73 PolarHBondContact O-N 3.4Å; E73-K75 VanDerWaalsContact C-N 3.27Å; E73-K75 PolarHBondContact O-N 3.44Å; E73-R76 PolarHBondContact O-N 2.65Å; E73-L77 WeakPolarHBondContact O-CG 3.29Å; E73-L77 PolarHBondContact O-N 2.82Å |
| 74 | M | 82 | Confident | 75.8 | Confident | 105 Ų | 105 | 115.7 Ų | 115.7 | 52% | 0.517 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -59.7 | -39.3 | 176.8 | -169.3 | 62.6 | 69.8 | 0 | 0 | 111.6 | D70 T71 L77 Q78 | D70-M74 HydrophobicContact CB-CB 4.45Å; T71-M74 WeakPolarHBondContact O-CA 3.39Å; T71-M74 WeakPolarHBondContact O-CB 3.37Å; T71-M74 PolarHBondContact O-N 2.99Å; T71-M74 PolarHBondContact OG1-N 2.87Å; M74-L77 PolarHBondContact O-N 3.39Å; M74-Q78 PolarHBondContact O-N 3.38Å |
| 75 | K | 82.5 | Confident | 76.2 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 60% | 0.604 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -65.3 | -42 | 176.8 | -172.4 | 170.8 | -176.7 | 174.2 | 0 | 112.6 | T71 E73 L77 Q78 E79 | T71-K75 PolarHBondContact O-N 2.87Å; E73-K75 VanDerWaalsContact C-N 3.27Å; E73-K75 PolarHBondContact O-N 3.44Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 2.78Å; K75-Q78 PolarHBondContact O-N 3.5Å; K75-E79 PolarHBondContact O-N 2.78Å |
| 76 | R | 87.2 | Confident | 76.9 | Confident | 197 Ų | 197 | 110.6 Ų | 110.6 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -62.7 | -40.7 | 176.5 | -74.9 | -179.4 | 68 | 96.8 | 1.5 | 111.8 | P72 E73 N80 | P72-R76 WeakPolarHBondContact O-CG 3.44Å; P72-R76 PolarHBondContact O-N 2.64Å; E73-R76 PolarHBondContact O-N 2.65Å; R76-N80 WeakPolarHBondContact O-CB 3.48Å; R76-N80 PolarHBondContact O-N 3.4Å |
| 77 | L | 81.9 | Confident | 77.5 | Confident | 97 Ų | 97 | 112 Ų | 112 | 51% | 0.508 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.5 | -43.6 | 175.7 | -69.5 | 171.7 | 0 | 0 | 0 | 111.5 | E73 M74 K75 E79 N80 T81 | E73-L77 WeakPolarHBondContact O-CG 3.29Å; E73-L77 PolarHBondContact O-N 2.82Å; M74-L77 PolarHBondContact O-N 3.39Å; K75-L77 VanDerWaalsContact C-N 3.33Å; K75-L77 PolarHBondContact O-N 2.78Å; L77-E79 PolarHBondContact O-N 3.36Å; L77-N80 WeakPolarHBondContact O-CB 3.13Å; L77-N80 PolarHBondContact O-N 3.48Å; L77-T81 PolarHBondContact O-N 2.9Å; L77-T81 PolarHBondContact O-OG1 2.91Å; L77-T81 VanDerWaalsContact O-OG1 3.07Å |
| 78 | Q | 83.5 | Confident | 77.9 | Confident | 129 Ų | 129 | 111.1 Ų | 111.1 | 60% | 0.603 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -61.8 | -44.1 | 178.3 | -171.5 | 179.7 | 28.4 | 0 | 0 | 112.6 | M74 K75 N80 T81 K82 | M74-Q78 PolarHBondContact O-N 3.38Å; K75-Q78 PolarHBondContact O-N 3.5Å; Q78-N80 VanDerWaalsContact C-N 3.33Å; Q78-T81 PolarHBondContact O-N 3.23Å; Q78-K82 WeakPolarHBondContact O-CB 3.45Å; Q78-K82 PolarHBondContact O-N 2.88Å |
| 79 | E | 85.1 | Confident | 78.4 | Confident | 115 Ų | 115 | 113.6 Ų | 113.6 | 54% | 0.537 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -64.5 | -39.9 | 176.7 | -173.8 | 167.2 | -164.8 | 0 | 0 | 111.5 | K75 L77 K82 N83 | K75-E79 PolarHBondContact O-N 2.78Å; L77-E79 PolarHBondContact O-N 3.36Å; E79-K82 PolarHBondContact O-N 3.42Å; E79-N83 WeakPolarHBondContact O-CB 3.34Å; E79-N83 PolarHBondContact O-N 3.29Å |
| 80 | N | 85.9 | Confident | 79.3 | Confident | 85 Ų | 85 | 114.5 Ų | 114.5 | 46% | 0.455 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.6 | -46.2 | 174.8 | -172.8 | -88.4 | 0 | 0 | 0 | 111.8 | R76 L77 Q78 K82 N83 Q84 | R76-N80 WeakPolarHBondContact O-CB 3.48Å; R76-N80 PolarHBondContact O-N 3.4Å; L77-N80 WeakPolarHBondContact O-CB 3.13Å; L77-N80 PolarHBondContact O-N 3.48Å; Q78-N80 VanDerWaalsContact C-N 3.33Å; N80-K82 PolarHBondContact O-N 2.99Å; N80-N83 PolarHBondContact O-N 3.37Å; N80-Q84 WeakPolarHBondContact O-CG 3.47Å; N80-Q84 PolarHBondContact O-N 3.25Å; N80-Q84 PolarHBondContact OD1-NE2 3.23Å |
| 81 | T | 85.8 | Confident | 79.9 | Confident | 96 Ų | 96 | 113.8 Ų | 113.8 | 59% | 0.589 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -61.4 | -41.9 | 174.7 | -56.9 | 0 | 0 | 0 | 0 | 112.2 | L77 Q78 N83 Q84 S85 | L77-T81 PolarHBondContact O-N 2.9Å; L77-T81 PolarHBondContact O-OG1 2.91Å; L77-T81 VanDerWaalsContact O-OG1 3.07Å; Q78-T81 PolarHBondContact O-N 3.23Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 2.87Å; T81-Q84 PolarHBondContact O-N 3.2Å; T81-S85 PolarHBondContact O-N 3.16Å; T81-S85 VanDerWaalsContact O-N 3.15Å |
| 82 | K | 83.7 | Confident | 79.6 | Confident | 104 Ų | 104 | 114 Ų | 114 | 45% | 0.452 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -60.6 | -42.5 | 177.7 | -176.1 | -177.9 | 176.8 | -175 | 0 | 111.6 | Q78 E79 N80 S85 | Q78-K82 WeakPolarHBondContact O-CB 3.45Å; Q78-K82 PolarHBondContact O-N 2.88Å; E79-K82 PolarHBondContact O-N 3.42Å; N80-K82 PolarHBondContact O-N 2.99Å; K82-S85 PolarHBondContact O-N 2.86Å; K82-S85 PolarHBondContact O-OG 2.81Å |
| 83 | N | 79.3 | Confident | 79.3 | Confident | 91 Ų | 91 | 114.6 Ų | 114.6 | 49% | 0.487 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -73.9 | -28 | 179.6 | -67.9 | -7.8 | 0 | 0 | 0 | 113 | E79 N80 T81 | E79-N83 WeakPolarHBondContact O-CB 3.34Å; E79-N83 PolarHBondContact O-N 3.29Å; N80-N83 PolarHBondContact O-N 3.37Å; T81-N83 VanDerWaalsContact C-N 3.32Å; T81-N83 PolarHBondContact O-N 2.87Å |
| 84 | Q | 72.7 | Confident | 79.3 | Confident | 141 Ų | 141 | 113.3 Ų | 113.3 | 66% | 0.659 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -76.2 | -23.3 | 175.1 | -73.9 | -168.2 | 45.7 | 0 | 0 | 113.3 | N80 T81 | N80-Q84 WeakPolarHBondContact O-CG 3.47Å; N80-Q84 PolarHBondContact O-N 3.25Å; N80-Q84 PolarHBondContact OD1-NE2 3.23Å; T81-Q84 PolarHBondContact O-N 3.2Å |
| 85 | S | 77.6 | Confident | 79 | Confident | 39 Ų | 39 | 115 Ų | 115 | 27% | 0.273 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -71.2 | 136.9 | -179.1 | 74.4 | 0 | 0 | 0 | 0 | 112.6 | T81 K82 I87 | T81-S85 PolarHBondContact O-N 3.16Å; T81-S85 VanDerWaalsContact O-N 3.15Å; K82-S85 PolarHBondContact O-N 2.86Å; K82-S85 PolarHBondContact O-OG 2.81Å; S85-I87 PolarHBondContact O-N 2.99Å; S85-I87 VanDerWaalsContact O-N 3.13Å |
| 86 | L | 75.8 | Confident | 78.2 | Confident | 143 Ų | 143 | 113.5 Ų | 113.5 | 75% | 0.749 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65 | -12 | 176.9 | -72.3 | 171.5 | 0 | 0 | 0 | 113.9 | R88 Y89 H90 | L86-R88 PolarHBondContact O-N 3.13Å; L86-Y89 PolarHBondContact O-N 2.89Å; L86-H90 PolarHBondContact O-N 3.46Å |
| 87 | I | 75.4 | Confident | 77.3 | Confident | 129 Ų | 129 | 112.7 Ų | 112.7 | 66% | 0.662 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.9 | -43.3 | -177.1 | -60.7 | 170.9 | 0 | 0 | 0 | 110.8 | S85 Y89 H90 E91 | S85-I87 PolarHBondContact O-N 2.99Å; S85-I87 VanDerWaalsContact O-N 3.13Å; I87-Y89 VanDerWaalsContact C-N 3.33Å; I87-Y89 PolarHBondContact O-N 3.14Å; I87-H90 PolarHBondContact O-N 3.46Å; I87-E91 WeakPolarHBondContact O-CB 3.46Å; I87-E91 PolarHBondContact O-N 3.23Å |
| 88 | R | 73.7 | Confident | 76.4 | Confident | 112 Ų | 112 | 111.8 Ų | 111.8 | 42% | 0.423 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.1 | -74.2 | -67.7 | -179.9 | -174 | 1.6 | 112.1 | L86 H90 E91 E92 | L86-R88 PolarHBondContact O-N 3.13Å; R88-H90 VanDerWaalsContact C-N 3.34Å; R88-E91 IonicContact CZ-OE2 2.86Å; R88-E91 IonicContact NH1-OE1 2.83Å; R88-E91 IonicContact NH1-OE2 3Å; R88-E91 PolarHBondContact NH1-OE2 3.28Å; R88-E92 VanDerWaalsContact O-CB 3.29Å; R88-E92 WeakPolarHBondContact O-CB 3.33Å; R88-E92 PolarHBondContact O-N 3.31Å |
| 89 | Y | 73.2 | Confident | 75.5 | Confident | 155 Ų | 155 | 112 Ų | 112 | 61% | 0.608 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.5 | -35.6 | 174.9 | -67.5 | -82.4 | 0 | 0 | 0 | 112 | L86 I87 Y93 | L86-Y89 PolarHBondContact O-N 2.89Å; I87-Y89 VanDerWaalsContact C-N 3.33Å; I87-Y89 PolarHBondContact O-N 3.14Å; Y89-Y93 WeakPolarHBondContact O-CB 3.12Å; Y89-Y93 PolarHBondContact O-N 3.44Å |
| 90 | H | 79.4 | Confident | 74.1 | Confident | 106 Ų | 106 | 116 Ų | 116 | 49% | 0.491 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.5 | -46.2 | 176.4 | -168.6 | 64.7 | 0 | 0 | 0 | 111.9 | L86 I87 R88 E92 Y93 E94 | L86-H90 PolarHBondContact O-N 3.46Å; I87-H90 PolarHBondContact O-N 3.46Å; R88-H90 VanDerWaalsContact C-N 3.34Å; H90-E92 VanDerWaalsContact C-N 3.33Å; H90-E92 PolarHBondContact O-N 2.99Å; H90-Y93 CarbonylContact O-C 3.59Å; H90-Y93 WeakPolarHBondContact O-CB 3.48Å; H90-Y93 PolarHBondContact O-N 3.15Å; H90-Y93 VanDerWaalsContact O-N 3.16Å; H90-E94 IonicContact CD2-OE2 3.36Å; H90-E94 IonicContact NE2-OE1 3.38Å; H90-E94 PolarHBondContact NE2-OE1 3.46Å; H90-E94 IonicContact NE2-OE2 3.91Å; H90-E94 WeakPolarHBondContact O-CB 3.49Å; H90-E94 WeakPolarHBondContact O-CG 3.33Å; H90-E94 PolarHBondContact O-N 3.22Å |
| 91 | E | 79.1 | Confident | 72.8 | Confident | 98 Ų | 98 | 119 Ų | 119 | 46% | 0.458 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -57.9 | -45.6 | 174.7 | -178.2 | -175.3 | -165.2 | 0 | 0 | 111.1 | I87 R88 E94 R95 | I87-E91 WeakPolarHBondContact O-CB 3.46Å; I87-E91 PolarHBondContact O-N 3.23Å; R88-E91 IonicContact CZ-OE2 2.86Å; R88-E91 IonicContact NH1-OE1 2.83Å; R88-E91 IonicContact NH1-OE2 3Å; R88-E91 PolarHBondContact NH1-OE2 3.28Å; E91-E94 PolarHBondContact O-N 2.99Å; E91-R95 VanDerWaalsContact O-CB 3.24Å; E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 PolarHBondContact O-N 3.35Å |
| 92 | E | 72 | Confident | 71.4 | Confident | 62 Ų | 62 | 123.4 Ų | 123.4 | 29% | 0.29 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -66.2 | -38.5 | 176.7 | -172.8 | 56.5 | -142.2 | 0 | 0 | 112.1 | R88 H90 R95 M96 | R88-E92 VanDerWaalsContact O-CB 3.29Å; R88-E92 WeakPolarHBondContact O-CB 3.33Å; R88-E92 PolarHBondContact O-N 3.31Å; H90-E92 VanDerWaalsContact C-N 3.33Å; H90-E92 PolarHBondContact O-N 2.99Å; E92-R95 PolarHBondContact O-N 3.39Å; E92-R95 IonicContact OE1-CZ 3.68Å; E92-R95 IonicContact OE1-NE 2.64Å; E92-R95 PolarHBondContact OE1-NE 2.87Å; E92-R95 IonicContact OE1-NH2 3.13Å; E92-R95 PolarHBondContact OE1-NH2 3.25Å; E92-R95 IonicContact OE2-CZ 3.54Å; E92-R95 IonicContact OE2-NE 3.32Å; E92-R95 PolarHBondContact OE2-NE 3.47Å; E92-R95 IonicContact OE2-NH2 3.5Å; E92-R95 PolarHBondContact OE2-NH2 3.05Å; E92-M96 HydrophobicContact CG-CE 3.68Å; E92-M96 WeakPolarHBondContact O-CB 3.42Å; E92-M96 WeakPolarHBondContact O-CG 3.28Å; E92-M96 PolarHBondContact O-N 2.68Å |
| 93 | Y | 71.8 | Confident | 70.2 | Confident | 121 Ų | 121 | 124 Ų | 124 | 48% | 0.475 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -64.3 | -43.9 | 174.4 | 176.3 | -94.9 | 0 | 0 | 0 | 112.1 | Y89 H90 R95 M96 R97 | Y89-Y93 WeakPolarHBondContact O-CB 3.12Å; Y89-Y93 PolarHBondContact O-N 3.44Å; H90-Y93 CarbonylContact O-C 3.59Å; H90-Y93 WeakPolarHBondContact O-CB 3.48Å; H90-Y93 PolarHBondContact O-N 3.15Å; H90-Y93 VanDerWaalsContact O-N 3.16Å; Y93-R95 VanDerWaalsContact C-N 3.34Å; Y93-M96 PolarHBondContact O-N 3.15Å; Y93-R97 HydrophobicContact CD1-CG 4.41Å; Y93-R97 HydrophobicContact CE1-CG 3.89Å; Y93-R97 VanDerWaalsContact CE1-NE 3.34Å; Y93-R97 VanDerWaalsContact O-CB 3.31Å; Y93-R97 WeakPolarHBondContact O-CB 3.41Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 PolarHBondContact OH-NE 3.18Å; Y93-R97 PolarHBondContact OH-NH2 3.17Å |
| 94 | E | 76.9 | Confident | 69.2 | Low | 116 Ų | 116 | 123.9 Ų | 123.9 | 54% | 0.542 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65.4 | -37.9 | 175.3 | -71.3 | -172.2 | 124 | 0 | 0 | 111.3 | H90 E91 R97 | H90-E94 IonicContact CD2-OE2 3.36Å; H90-E94 IonicContact NE2-OE1 3.38Å; H90-E94 PolarHBondContact NE2-OE1 3.46Å; H90-E94 IonicContact NE2-OE2 3.91Å; H90-E94 WeakPolarHBondContact O-CB 3.49Å; H90-E94 WeakPolarHBondContact O-CG 3.33Å; H90-E94 PolarHBondContact O-N 3.22Å; E91-E94 PolarHBondContact O-N 2.99Å; E94-R97 PolarHBondContact O-N 2.9Å |
| 95 | R | 75.8 | Confident | 68.7 | Low | 139 Ų | 139 | 121.4 Ų | 121.4 | 53% | 0.525 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -68.5 | -34.4 | 175.7 | -171.6 | 176.1 | 74.8 | 112.3 | 2.2 | 113.2 | E91 E92 Y93 | E91-R95 VanDerWaalsContact O-CB 3.24Å; E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 PolarHBondContact O-N 3.35Å; E92-R95 PolarHBondContact O-N 3.39Å; E92-R95 IonicContact OE1-CZ 3.68Å; E92-R95 IonicContact OE1-NE 2.64Å; E92-R95 PolarHBondContact OE1-NE 2.87Å; E92-R95 IonicContact OE1-NH2 3.13Å; E92-R95 PolarHBondContact OE1-NH2 3.25Å; E92-R95 IonicContact OE2-CZ 3.54Å; E92-R95 IonicContact OE2-NE 3.32Å; E92-R95 PolarHBondContact OE2-NE 3.47Å; E92-R95 IonicContact OE2-NH2 3.5Å; E92-R95 PolarHBondContact OE2-NH2 3.05Å; Y93-R95 VanDerWaalsContact C-N 3.34Å |
| 96 | M | 66.2 | Low | 68.5 | Low | 108 Ų | 108 | 124.7 Ų | 124.7 | 53% | 0.532 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -85.3 | -23.1 | 175.7 | -75 | -166.6 | -68.7 | 0 | 0 | 112.8 | E92 Y93 G98 K99 | E92-M96 HydrophobicContact CG-CE 3.68Å; E92-M96 WeakPolarHBondContact O-CB 3.42Å; E92-M96 WeakPolarHBondContact O-CG 3.28Å; E92-M96 PolarHBondContact O-N 2.68Å; Y93-M96 PolarHBondContact O-N 3.15Å; M96-G98 PolarHBondContact O-N 3.24Å; M96-K99 PolarHBondContact O-N 3.34Å |
| 97 | R | 67.3 | Low | 68.5 | Low | 180 Ų | 180 | 122.2 Ų | 122.2 | 68% | 0.679 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.1 | 99.1 | 169.4 | -106.4 | -165.2 | 172 | -161.5 | -1.2 | 108.9 | Y93 E94 | Y93-R97 HydrophobicContact CD1-CG 4.41Å; Y93-R97 HydrophobicContact CE1-CG 3.89Å; Y93-R97 VanDerWaalsContact CE1-NE 3.34Å; Y93-R97 VanDerWaalsContact O-CB 3.31Å; Y93-R97 WeakPolarHBondContact O-CB 3.41Å; Y93-R97 PolarHBondContact O-N 2.86Å; Y93-R97 PolarHBondContact OH-NE 3.18Å; Y93-R97 PolarHBondContact OH-NH2 3.17Å; E94-R97 PolarHBondContact O-N 2.9Å |
| 98 | G | 63.5 | Low | 68.5 | Low | 79 Ų | 79 | 121.5 Ų | 121.5 | 81% | 0.814 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 113.9 | -14.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114 | M96 K100 | M96-G98 PolarHBondContact O-N 3.24Å; G98-K100 PolarHBondContact O-N 3.22Å |
| 99 | K | 65.6 | Low | 68.8 | Low | 133 Ų | 133 | 120.3 Ų | 120.3 | 58% | 0.578 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -82.4 | 100.3 | 163.7 | -72.9 | -177.2 | -177.9 | -177.7 | 0 | 108.1 | M96 I101 | M96-K99 PolarHBondContact O-N 3.34Å; K99-I101 PolarHBondContact O-N 3.19Å; K99-I101 VanDerWaalsContact O-N 3.09Å |
| 100 | K | 54.9 | Low | 69 | Low | 198 Ų | 198 | 117 Ų | 117 | 86% | 0.861 | 59% | 0.588 | S | S | * | * | trans | -52 | 117.8 | 170.3 | -168.8 | 167.7 | -176.1 | -179.4 | 0 | 107.4 | G98 E102 | G98-K100 PolarHBondContact O-N 3.22Å; K100-E102 PolarHBondContact O-N 3.49Å; K100-E102 VanDerWaalsContact O-N 3.16Å | ||
| 101 | I | 59.2 | Low | 69.2 | Low | 149 Ų | 149 | 119 Ų | 119 | 76% | 0.764 | 59% | 0.591 | S | S | * | * | trans | -44.5 | 122.9 | 169.8 | -19.4 | 173.7 | 0 | 0 | 0 | 106.4 | K99 V103 | K99-I101 PolarHBondContact O-N 3.19Å; K99-I101 VanDerWaalsContact O-N 3.09Å; I101-V103 PolarHBondContact O-N 3.31Å | ||
| 102 | E | 57.1 | Low | 69.3 | Low | 189 Ų | 189 | 120.2 Ų | 120.2 | 88% | 0.883 | 60% | 0.597 | S | S | * | * | trans | -62.6 | 86.5 | 166.7 | -92.8 | -178.9 | 151.1 | 0 | 0 | 106.5 | K100 A104 | K100-E102 PolarHBondContact O-N 3.49Å; K100-E102 VanDerWaalsContact O-N 3.16Å; E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 3.03Å; E102-A104 VanDerWaalsContact O-N 3.11Å | ||
| 103 | V | 56.7 | Low | 69.7 | Low | 115 Ų | 115 | 121.4 Ų | 121.4 | 70% | 0.697 | 60% | 0.604 | S | S | * | * | trans | -59.9 | 111 | 151.5 | 177.8 | 0 | 0 | 0 | 0 | 103 | I101 D105 | I101-V103 PolarHBondContact O-N 3.31Å; V103-D105 PolarHBondContact O-N 3.26Å | ||
| 104 | A | 58.2 | Low | 70.3 | Confident | 90 Ų | 90 | 121.4 Ų | 121.4 | 74% | 0.744 | 61% | 0.607 | S | S | * | * | trans | -47 | 111 | 176.1 | 0 | 0 | 0 | 0 | 0 | 107.8 | E102 D106 | E102-A104 VanDerWaalsContact C-N 3.34Å; E102-A104 PolarHBondContact O-N 3.03Å; E102-A104 VanDerWaalsContact O-N 3.11Å; A104-D106 PolarHBondContact O-N 2.98Å | ||
| 105 | D | 63.3 | Low | 70.5 | Confident | 89 Ų | 89 | 120 Ų | 120 | 48% | 0.476 | 60% | 0.603 | S | S | . | * | trans | -59.3 | 114.2 | 179.4 | -70.3 | -42.5 | 0 | 0 | 0 | 107 | V103 Q110 | V103-D105 PolarHBondContact O-N 3.26Å; D105-Q110 HydrophobicContact CB-CG 3.66Å; D105-Q110 PolarHBondContact O-NE2 3.05Å | ||
| 106 | D | 72.5 | Confident | 70.9 | Confident | 107 Ų | 107 | 117.6 Ų | 117.6 | 57% | 0.572 | 60% | 0.604 | S | S | * | * | trans | -45.2 | 136.2 | 173.5 | -125 | -26.5 | 0 | 0 | 0 | 108.3 | A104 E108 I109 Q110 | A104-D106 PolarHBondContact O-N 2.98Å; D106-E108 CarbonylContact O-C 3.51Å; D106-E108 PolarHBondContact O-N 3.21Å; D106-I109 HydrophobicContact CB-CG1 4.3Å; D106-I109 WeakPolarHBondContact O-CA 3.48Å; D106-I109 PolarHBondContact O-N 2.98Å; D106-Q110 PolarHBondContact O-N 3.38Å; D106-Q110 VanDerWaalsContact O-N 3.13Å | ||
| 107 | P | 77.4 | Confident | 71.6 | Confident | 91 Ų | 91 | 117.6 Ų | 117.6 | 59% | 0.591 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -56 | -22.4 | -175.7 | 20.8 | -33.5 | 0 | 0 | 0 | 113.2 | R111 | P107-R111 PolarHBondContact O-N 2.79Å; P107-R111 VanDerWaalsContact O-N 3.08Å |
| 108 | E | 74.7 | Confident | 72 | Confident | 114 Ų | 114 | 115 Ų | 115 | 53% | 0.533 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -67 | -46.6 | 169.8 | -96.4 | 177.9 | 168.9 | 0 | 0 | 113.8 | D106 Q110 R111 H112 | D106-E108 CarbonylContact O-C 3.51Å; D106-E108 PolarHBondContact O-N 3.21Å; E108-Q110 VanDerWaalsContact C-N 3.27Å; E108-Q110 PolarHBondContact O-N 2.89Å; E108-R111 PolarHBondContact O-N 3.11Å; E108-R111 IonicContact OE1-NH2 3.46Å; E108-R111 PolarHBondContact OE1-NH2 2.93Å; E108-H112 PolarHBondContact O-CD2 3.38Å; E108-H112 PolarHBondContact O-N 3.11Å |
| 109 | I | 79.7 | Confident | 72.2 | Confident | 88 Ų | 88 | 118.3 Ų | 118.3 | 45% | 0.451 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -62.7 | -40.1 | 176.7 | -62.8 | -170.5 | 0 | 0 | 0 | 109.4 | D106 R111 H112 I113 | D106-I109 HydrophobicContact CB-CG1 4.3Å; D106-I109 WeakPolarHBondContact O-CA 3.48Å; D106-I109 PolarHBondContact O-N 2.98Å; I109-R111 PolarHBondContact O-N 3.35Å; I109-H112 PolarHBondContact O-N 3.09Å; I109-I113 HydrophobicContact CG2-CD1 3.65Å; I109-I113 HydrophobicContact CG2-CG1 4.17Å; I109-I113 WeakPolarHBondContact O-CB 3.36Å; I109-I113 VanDerWaalsContact O-CG1 3.24Å; I109-I113 WeakPolarHBondContact O-CG1 3.31Å; I109-I113 PolarHBondContact O-N 3.36Å |
| 110 | Q | 78.4 | Confident | 72.3 | Confident | 86 Ų | 86 | 114 Ų | 114 | 40% | 0.402 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -62 | -41.2 | 174.6 | -67.3 | -172 | 1.6 | 0 | 0 | 113.2 | D105 D106 E108 I113 K114 | D105-Q110 HydrophobicContact CB-CG 3.66Å; D105-Q110 PolarHBondContact O-NE2 3.05Å; D106-Q110 PolarHBondContact O-N 3.38Å; D106-Q110 VanDerWaalsContact O-N 3.13Å; E108-Q110 VanDerWaalsContact C-N 3.27Å; E108-Q110 PolarHBondContact O-N 2.89Å; Q110-I113 PolarHBondContact O-N 3.07Å; Q110-K114 WeakPolarHBondContact O-CB 3.2Å; Q110-K114 WeakPolarHBondContact O-CG 3.24Å; Q110-K114 PolarHBondContact O-N 3.02Å |
| 111 | R | 82.2 | Confident | 72.7 | Confident | 147 Ų | 147 | 109.9 Ų | 109.9 | 56% | 0.555 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.4 | -44 | 174 | -83.3 | -165.3 | -52.3 | -130.8 | 1.1 | 111.6 | P107 E108 I109 K114 N115 | P107-R111 PolarHBondContact O-N 2.79Å; P107-R111 VanDerWaalsContact O-N 3.08Å; E108-R111 PolarHBondContact O-N 3.11Å; E108-R111 IonicContact OE1-NH2 3.46Å; E108-R111 PolarHBondContact OE1-NH2 2.93Å; I109-R111 PolarHBondContact O-N 3.35Å; R111-K114 PolarHBondContact O-N 3.13Å; R111-N115 WeakPolarHBondContact O-CB 3.36Å; R111-N115 PolarHBondContact O-N 2.92Å |
| 112 | H | 81.4 | Confident | 73 | Confident | 123 Ų | 123 | 105.8 Ų | 105.8 | 57% | 0.569 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -65 | -41.1 | 178.3 | -80.5 | -71.1 | 0 | 0 | 0 | 112.2 | E108 I109 N115 T116 | E108-H112 PolarHBondContact O-CD2 3.38Å; E108-H112 PolarHBondContact O-N 3.11Å; I109-H112 PolarHBondContact O-N 3.09Å; H112-N115 PolarHBondContact O-N 2.81Å; H112-T116 WeakPolarHBondContact O-CB 3.5Å; H112-T116 PolarHBondContact O-N 2.92Å; H112-T116 PolarHBondContact O-OG1 3.28Å |
| 113 | I | 81.9 | Confident | 73.3 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 45% | 0.446 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.2 | -48.6 | 174.9 | -68.8 | 168.4 | 0 | 0 | 0 | 110.2 | I109 Q110 N115 T116 Q117 | I109-I113 HydrophobicContact CG2-CD1 3.65Å; I109-I113 HydrophobicContact CG2-CG1 4.17Å; I109-I113 WeakPolarHBondContact O-CB 3.36Å; I109-I113 VanDerWaalsContact O-CG1 3.24Å; I109-I113 WeakPolarHBondContact O-CG1 3.31Å; I109-I113 PolarHBondContact O-N 3.36Å; Q110-I113 PolarHBondContact O-N 3.07Å; I113-N115 PolarHBondContact O-N 3.1Å; I113-T116 PolarHBondContact O-N 3.31Å; I113-Q117 VanDerWaalsContact O-CB 3.31Å; I113-Q117 WeakPolarHBondContact O-CB 3.4Å; I113-Q117 PolarHBondContact O-N 3.4Å |
| 114 | K | 82.6 | Confident | 73.4 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 53% | 0.526 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -62.1 | -44 | 178.3 | -74.9 | 176.1 | -178.7 | 173.7 | 0 | 112.2 | Q110 R111 T116 Q117 I118 | Q110-K114 WeakPolarHBondContact O-CB 3.2Å; Q110-K114 WeakPolarHBondContact O-CG 3.24Å; Q110-K114 PolarHBondContact O-N 3.02Å; R111-K114 PolarHBondContact O-N 3.13Å; K114-T116 PolarHBondContact O-N 2.87Å; K114-Q117 PolarHBondContact O-N 3.03Å; K114-I118 WeakPolarHBondContact O-CB 3.44Å; K114-I118 VanDerWaalsContact O-CG1 3.24Å; K114-I118 WeakPolarHBondContact O-CG1 3.39Å; K114-I118 PolarHBondContact O-N 3.32Å |
| 115 | N | 83 | Confident | 73.6 | Confident | 86 Ų | 86 | 106.3 Ų | 106.3 | 46% | 0.46 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 177.3 | -78.5 | -3.5 | 0 | 0 | 0 | 111.6 | R111 H112 I113 I118 Q119 | R111-N115 WeakPolarHBondContact O-CB 3.36Å; R111-N115 PolarHBondContact O-N 2.92Å; H112-N115 PolarHBondContact O-N 2.81Å; I113-N115 PolarHBondContact O-N 3.1Å; N115-I118 PolarHBondContact O-N 2.87Å; N115-Q119 VanDerWaalsContact O-CB 3.27Å; N115-Q119 WeakPolarHBondContact O-CB 3.37Å; N115-Q119 WeakPolarHBondContact O-CG 3.23Å; N115-Q119 PolarHBondContact O-N 2.78Å |
| 116 | T | 83.2 | Confident | 73.8 | Confident | 90 Ų | 90 | 103.2 Ų | 103.2 | 55% | 0.552 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -65 | -40.7 | 175.3 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | H112 I113 K114 Q119 S120 | H112-T116 WeakPolarHBondContact O-CB 3.5Å; H112-T116 PolarHBondContact O-N 2.92Å; H112-T116 PolarHBondContact O-OG1 3.28Å; I113-T116 PolarHBondContact O-N 3.31Å; K114-T116 PolarHBondContact O-N 2.87Å; T116-Q119 PolarHBondContact O-N 3.21Å; T116-S120 PolarHBondContact O-N 3.43Å |
| 117 | Q | 81.4 | Confident | 73.5 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 177.4 | -176.5 | 172.7 | 23.3 | 0 | 0 | 111.9 | I113 K114 S120 I123 | I113-Q117 VanDerWaalsContact O-CB 3.31Å; I113-Q117 WeakPolarHBondContact O-CB 3.4Å; I113-Q117 PolarHBondContact O-N 3.4Å; K114-Q117 PolarHBondContact O-N 3.03Å; Q117-S120 PolarHBondContact O-N 3.25Å; Q117-S120 PolarHBondContact O-OG 3.39Å; Q117-I123 HydrophobicContact CG-CD1 3.68Å |
| 118 | I | 74.9 | Confident | 73 | Confident | 125 Ų | 125 | 103 Ų | 103 | 64% | 0.641 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -69.9 | -35.7 | 176.5 | -66.4 | 165.7 | 0 | 0 | 0 | 111.3 | K114 N115 S120 | K114-I118 WeakPolarHBondContact O-CB 3.44Å; K114-I118 VanDerWaalsContact O-CG1 3.24Å; K114-I118 WeakPolarHBondContact O-CG1 3.39Å; K114-I118 PolarHBondContact O-N 3.32Å; N115-I118 PolarHBondContact O-N 2.87Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 2.83Å |
| 119 | Q | 67.4 | Low | 72.9 | Confident | 150 Ų | 150 | 102.5 Ų | 102.5 | 70% | 0.701 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -71.4 | -23.5 | 176.5 | -75.7 | 174.2 | 27.8 | 0 | 0 | 112.9 | N115 T116 N121 | N115-Q119 VanDerWaalsContact O-CB 3.27Å; N115-Q119 WeakPolarHBondContact O-CB 3.37Å; N115-Q119 WeakPolarHBondContact O-CG 3.23Å; N115-Q119 PolarHBondContact O-N 2.78Å; T116-Q119 PolarHBondContact O-N 3.21Å; Q119-N121 PolarHBondContact O-N 2.74Å |
| 120 | S | 68.5 | Low | 72.7 | Confident | 43 Ų | 43 | 105 Ų | 105 | 30% | 0.301 | 51% | 0.512 | S | S | . | . | S | Bend | trans | -72.6 | 120.8 | 176.5 | 75.7 | 0 | 0 | 0 | 0 | 110.9 | T116 Q117 I118 V122 | T116-S120 PolarHBondContact O-N 3.43Å; Q117-S120 PolarHBondContact O-N 3.25Å; Q117-S120 PolarHBondContact O-OG 3.39Å; I118-S120 VanDerWaalsContact C-N 3.29Å; I118-S120 PolarHBondContact O-N 2.83Å; S120-V122 PolarHBondContact O-N 3.29Å |
| 121 | N | 62.5 | Low | 72.6 | Confident | 110 Ų | 110 | 107 Ų | 107 | 59% | 0.588 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -56.9 | -8.2 | 175 | -83.8 | -3.2 | 0 | 0 | 0 | 114.2 | Q119 I123 Y124 H125 | Q119-N121 PolarHBondContact O-N 2.74Å; N121-I123 PolarHBondContact O-N 2.84Å; N121-Y124 PolarHBondContact O-N 2.95Å; N121-H125 PolarHBondContact O-CD2 2.8Å; N121-H125 VanDerWaalsContact O-CD2 3.31Å; N121-H125 PolarHBondContact O-N 3.13Å |
| 122 | V | 65.5 | Low | 72.4 | Confident | 63 Ų | 63 | 104.1 Ų | 104.1 | 38% | 0.382 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -35 | -176.9 | -175.8 | 0 | 0 | 0 | 0 | 112.5 | S120 L128 | S120-V122 PolarHBondContact O-N 3.29Å; V122-L128 HydrophobicContact CG1-CD1 4.33Å; V122-L128 HydrophobicContact CG1-CG 4.03Å |
| 123 | I | 64.5 | Low | 72.3 | Confident | 91 Ų | 91 | 101.6 Ų | 101.6 | 47% | 0.467 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.9 | -41.3 | 172.9 | -60.3 | -176.4 | 0 | 0 | 0 | 110.1 | Q117 N121 H125 L128 | Q117-I123 HydrophobicContact CG-CD1 3.68Å; N121-I123 PolarHBondContact O-N 2.84Å; I123-H125 PolarHBondContact O-N 3.44Å; I123-L128 HydrophobicContact CG1-CD1 4.34Å |
| 124 | Y | 57.4 | Low | 71.9 | Confident | 204 Ų | 204 | 103.8 Ų | 103.8 | 80% | 0.8 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -71.7 | -29 | -172.4 | -125.5 | -86.4 | 0 | 0 | 0 | 114 | N121 | N121-Y124 PolarHBondContact O-N 2.95Å |
| 125 | H | 62.5 | Low | 71.6 | Confident | 111 Ų | 111 | 103.5 Ų | 103.5 | 51% | 0.514 | 52% | 0.516 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | 6.7 | -178.2 | -75.6 | -84 | 0 | 0 | 0 | 114.9 | N121 I123 E127 | N121-H125 PolarHBondContact O-CD2 2.8Å; N121-H125 VanDerWaalsContact O-CD2 3.31Å; N121-H125 PolarHBondContact O-N 3.13Å; I123-H125 PolarHBondContact O-N 3.44Å; H125-E127 HydrophobicContact CB-CG 4.08Å; H125-E127 PolarHBondContact O-N 2.82Å; H125-E127 VanDerWaalsContact O-N 3.13Å |
| 126 | G | 68.4 | Low | 71.3 | Confident | 23 Ų | 23 | 107.8 Ų | 107.8 | 24% | 0.237 | 53% | 0.526 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 60.9 | 21.1 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | L128 D129 K130 | G126-L128 VanDerWaalsContact C-N 3.26Å; G126-L128 PolarHBondContact O-N 2.85Å; G126-D129 PolarHBondContact O-N 3.12Å; G126-K130 WeakPolarHBondContact O-CG 3.06Å; G126-K130 PolarHBondContact O-N 3.29Å |
| 127 | E | 66.4 | Low | 71.1 | Confident | 106 Ų | 106 | 109.7 Ų | 109.7 | 50% | 0.495 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.8 | -30.9 | -179.4 | -73.2 | -177.7 | 167 | 0 | 0 | 111.5 | H125 K130 K131 | H125-E127 HydrophobicContact CB-CG 4.08Å; H125-E127 PolarHBondContact O-N 2.82Å; H125-E127 VanDerWaalsContact O-N 3.13Å; E127-K130 PolarHBondContact O-N 2.92Å; E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 PolarHBondContact O-N 3.16Å |
| 128 | L | 67 | Low | 70.8 | Confident | 87 Ų | 87 | 112.8 Ų | 112.8 | 46% | 0.455 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -60.4 | -44.4 | 171.6 | -84.8 | 165 | 0 | 0 | 0 | 112 | V122 I123 G126 K131 Q132 | V122-L128 HydrophobicContact CG1-CD1 4.33Å; V122-L128 HydrophobicContact CG1-CG 4.03Å; I123-L128 HydrophobicContact CG1-CD1 4.34Å; G126-L128 VanDerWaalsContact C-N 3.26Å; G126-L128 PolarHBondContact O-N 2.85Å; L128-K131 PolarHBondContact O-N 2.69Å; L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 WeakPolarHBondContact O-CG 3.29Å; L128-Q132 PolarHBondContact O-N 2.69Å |
| 129 | D | 73.1 | Confident | 70.8 | Confident | 105 Ų | 105 | 111.6 Ų | 111.6 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.8 | -42.5 | 178.7 | -66.9 | -29.8 | 0 | 0 | 0 | 110.9 | G126 K131 Q132 T133 | G126-D129 PolarHBondContact O-N 3.12Å; D129-K131 VanDerWaalsContact C-N 3.33Å; D129-K131 PolarHBondContact O-N 3.15Å; D129-Q132 PolarHBondContact O-N 3.46Å; D129-T133 WeakPolarHBondContact O-CB 3.33Å; D129-T133 PolarHBondContact O-N 3.28Å; D129-T133 PolarHBondContact O-OG1 2.96Å |
| 130 | K | 75.8 | Confident | 70.8 | Confident | 140 Ų | 140 | 109.8 Ų | 109.8 | 61% | 0.609 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -59.9 | -43.5 | 174.1 | -70.5 | 172 | -177.4 | 165.4 | 0 | 111.6 | G126 E127 T133 M134 | G126-K130 WeakPolarHBondContact O-CG 3.06Å; G126-K130 PolarHBondContact O-N 3.29Å; E127-K130 PolarHBondContact O-N 2.92Å; K130-T133 PolarHBondContact O-N 3.27Å; K130-M134 PolarHBondContact O-N 2.73Å |
| 131 | K | 75.9 | Confident | 70.4 | Confident | 128 Ų | 128 | 116.1 Ų | 116.1 | 56% | 0.557 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.6 | -44.3 | 178.5 | -171.9 | 177.1 | 177.6 | -177.6 | 0 | 111.8 | E127 L128 D129 T133 M134 E135 | E127-K131 WeakPolarHBondContact O-CB 3.42Å; E127-K131 PolarHBondContact O-N 3.16Å; L128-K131 PolarHBondContact O-N 2.69Å; D129-K131 VanDerWaalsContact C-N 3.33Å; D129-K131 PolarHBondContact O-N 3.15Å; K131-T133 VanDerWaalsContact C-N 3.28Å; K131-T133 PolarHBondContact O-N 2.77Å; K131-M134 PolarHBondContact O-N 2.86Å; K131-E135 PolarHBondContact O-N 2.81Å |
| 132 | Q | 77.1 | Confident | 70.2 | Confident | 86 Ų | 86 | 118.8 Ų | 118.8 | 40% | 0.402 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60.9 | -38.7 | 173.1 | -81.1 | -169.2 | 7.8 | 0 | 0 | 111.9 | L128 D129 E135 R136 | L128-Q132 WeakPolarHBondContact O-CB 3.48Å; L128-Q132 WeakPolarHBondContact O-CG 3.29Å; L128-Q132 PolarHBondContact O-N 2.69Å; D129-Q132 PolarHBondContact O-N 3.46Å; Q132-E135 PolarHBondContact O-N 3Å; Q132-R136 WeakPolarHBondContact O-CG 3.48Å; Q132-R136 PolarHBondContact O-N 2.83Å |
| 133 | T | 79.7 | Confident | 69.3 | Low | 71 Ų | 71 | 124.9 Ų | 124.9 | 44% | 0.436 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -66 | -41.1 | 178.5 | -47 | 0 | 0 | 0 | 0 | 110.8 | D129 K130 K131 R136 I137 | D129-T133 WeakPolarHBondContact O-CB 3.33Å; D129-T133 PolarHBondContact O-N 3.28Å; D129-T133 PolarHBondContact O-OG1 2.96Å; K130-T133 PolarHBondContact O-N 3.27Å; K131-T133 VanDerWaalsContact C-N 3.28Å; K131-T133 PolarHBondContact O-N 2.77Å; T133-R136 PolarHBondContact O-N 3.26Å; T133-I137 HydrophobicContact CG2-CD1 4.22Å; T133-I137 WeakPolarHBondContact O-CG1 3.48Å; T133-I137 PolarHBondContact O-N 3.39Å |
| 134 | M | 72.6 | Confident | 68.2 | Low | 133 Ų | 133 | 127.1 Ų | 127.1 | 66% | 0.655 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65.9 | -38.9 | 173.6 | -73.1 | -146 | -45.9 | 0 | 0 | 113.4 | K130 K131 R136 I137 R138 | K130-M134 PolarHBondContact O-N 2.73Å; K131-M134 PolarHBondContact O-N 2.86Å; M134-R136 VanDerWaalsContact C-N 3.33Å; M134-I137 PolarHBondContact O-N 2.98Å; M134-R138 PolarHBondContact O-N 2.89Å |
| 135 | E | 76.1 | Confident | 67.8 | Low | 114 Ų | 114 | 122.3 Ų | 122.3 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -67.6 | -32.8 | 177.3 | -91.9 | 176 | 171.5 | 0 | 0 | 112.6 | K131 Q132 | K131-E135 PolarHBondContact O-N 2.81Å; Q132-E135 PolarHBondContact O-N 3Å |
| 136 | R | 78.2 | Confident | 66.8 | Low | 176 Ų | 176 | 123.2 Ų | 123.2 | 66% | 0.664 | 64% | 0.637 | S | S | * | * | H | α-helix | trans | -69.9 | -32.6 | 172.8 | -72 | -176.7 | -166.8 | 103.9 | 5.5 | 113.2 | Q132 T133 M134 | Q132-R136 WeakPolarHBondContact O-CG 3.48Å; Q132-R136 PolarHBondContact O-N 2.83Å; T133-R136 PolarHBondContact O-N 3.26Å; M134-R136 VanDerWaalsContact C-N 3.33Å |
| 137 | I | 77.6 | Confident | 65.5 | Low | 130 Ų | 130 | 126.4 Ų | 126.4 | 67% | 0.667 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -81.6 | -21.3 | 178.8 | -65.3 | 168.2 | 0 | 0 | 0 | 111.2 | T133 M134 P139 | T133-I137 HydrophobicContact CG2-CD1 4.22Å; T133-I137 WeakPolarHBondContact O-CG1 3.48Å; T133-I137 PolarHBondContact O-N 3.39Å; M134-I137 PolarHBondContact O-N 2.98Å; I137-P139 WeakPolarHBondContact O-CD 3.32Å; I137-P139 VanDerWaalsContact O-N 3.15Å |
| 138 | R | 75.7 | Confident | 64.3 | Low | 173 Ų | 173 | 128.4 Ų | 128.4 | 65% | 0.653 | 67% | 0.674 | S | S | * | * | S | Bend | trans | -62.8 | 115.1 | 177.5 | -179.6 | 178.4 | -75.3 | 177.8 | -4 | 109.6 | M134 | M134-R138 PolarHBondContact O-N 2.89Š|
| 139 | P | 74.4 | Confident | 63 | Low | 100 Ų | 100 | 130.3 Ų | 130.3 | 65% | 0.649 | 70% | 0.695 | S | S | * | * | trans | -64.7 | 142.3 | 174.9 | 26.1 | -32.2 | 0 | 0 | 0 | 110 | I137 L141 | I137-P139 WeakPolarHBondContact O-CD 3.32Å; I137-P139 VanDerWaalsContact O-N 3.15Å; P139-L141 PolarHBondContact O-N 3.1Å | ||
| 140 | P | 68.5 | Low | 61.5 | Low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 70% | 0.699 | S | S | * | * | trans | -61.2 | 130.7 | 174 | -15 | 28.1 | 0 | 0 | 0 | 109.7 | E142 | P140-E142 VanDerWaalsContact C-N 3.26Å; P140-E142 PolarHBondContact O-N 3.33Å; P140-E142 VanDerWaalsContact O-N 3.08Å | ||
| 141 | L | 59.7 | Low | 59.9 | Low | 176 Ų | 176 | 128.1 Ų | 128.1 | 92% | 0.921 | 71% | 0.711 | S | S | * | * | trans | -81.3 | 76.7 | 170.2 | -72.7 | 166.7 | 0 | 0 | 0 | 108.6 | P139 | P139-L141 PolarHBondContact O-N 3.1Š| ||
| 142 | E | 59 | Low | 58.1 | Low | 166 Ų | 166 | 126 Ų | 126 | 78% | 0.776 | 73% | 0.726 | S | S | * | * | trans | -132.8 | 139.4 | 166 | -61.2 | -174.6 | -170 | 0 | 0 | 106.6 | P140 | P140-E142 VanDerWaalsContact C-N 3.26Å; P140-E142 PolarHBondContact O-N 3.33Å; P140-E142 VanDerWaalsContact O-N 3.08Å | ||
| 143 | E | 46.7 | Very low | 56.1 | Low | 191 Ų | 191 | 125.9 Ų | 125.9 | 89% | 0.893 | 75% | 0.748 | S | S | * | * | S | Bend | trans | 86.3 | 56.7 | -176.5 | -55.3 | -173.3 | 131.9 | 0 | 0 | 119.1 | ||
| 144 | T | 41.2 | Very low | 54.3 | Low | 139 Ų | 139 | 130.5 Ų | 130.5 | 85% | 0.853 | 77% | 0.769 | S | S | * | * | trans | -150.1 | 66.5 | 141.4 | 58.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 145 | A | 47.5 | Very low | 52.9 | Low | 103 Ų | 103 | 132.9 Ų | 132.9 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -106.5 | 8.2 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 146 | T | 41.4 | Very low | 51 | Low | 129 Ų | 129 | 131.5 Ų | 131.5 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | S | Bend | trans | -141.5 | 123 | -176.1 | 15.1 | 0 | 0 | 0 | 0 | 109.5 | ||
| 147 | A | 41.2 | Very low | 49.3 | Very low | 90 Ų | 90 | 133.5 Ų | 133.5 | 74% | 0.744 | 80% | 0.8 | S | S | * | * | S | Bend | trans | 70.9 | 118.8 | -168.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||
| 148 | I | 41.5 | Very low | 47.6 | Very low | 148 Ų | 148 | 131.7 Ų | 131.7 | 76% | 0.759 | 80% | 0.799 | S | S | * | * | cis | -153.2 | 102.8 | 48.3 | -56.7 | 127.7 | 0 | 0 | 0 | 106.8 | S150 | I148-S150 VanDerWaalsContact CG2-O 3.28Å; I148-S150 WeakPolarHBondContact CG2-O 3.23Å; I148-S150 PolarHBondContact O-N 3.48Å | ||
| 149 | S | 40.3 | Very low | 45.9 | Very low | 128 Ų | 128 | 132 Ų | 132 | 90% | 0.895 | 81% | 0.808 | S | S | * | * | trans | -93.2 | 77.2 | 163.1 | -57.6 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 150 | S | 40.4 | Very low | 44.6 | Very low | 94 Ų | 94 | 132.6 Ų | 132.6 | 66% | 0.657 | 81% | 0.809 | S | S | * | * | trans | 172.9 | 140.5 | 165.3 | 32.6 | 0 | 0 | 0 | 0 | 110.5 | I148 | I148-S150 VanDerWaalsContact CG2-O 3.28Å; I148-S150 WeakPolarHBondContact CG2-O 3.23Å; I148-S150 PolarHBondContact O-N 3.48Å | ||
| 151 | A | 42.8 | Very low | 43.3 | Very low | 104 Ų | 104 | 135.7 Ų | 135.7 | 86% | 0.86 | 82% | 0.819 | S | S | * | * | trans | 72.5 | 111.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 152 | G | 37.6 | Very low | 42.6 | Very low | 84 Ų | 84 | 133.3 Ų | 133.3 | 87% | 0.866 | 81% | 0.807 | S | S | * | * | cis | 85.4 | 98.7 | 38.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 153 | G | 36.1 | Very low | 41.7 | Very low | 84 Ų | 84 | 132 Ų | 132 | 87% | 0.866 | 82% | 0.815 | S | S | * | * | trans | 161.6 | 94.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 154 | L | 41.8 | Very low | 41.4 | Very low | 167 Ų | 167 | 128.2 Ų | 128.2 | 87% | 0.874 | 81% | 0.805 | S | S | * | * | trans | -66.2 | 136 | 168.9 | -67.6 | 157.6 | 0 | 0 | 0 | 110.9 | ||||
| 155 | L | 42 | Very low | 41.5 | Very low | 183 Ų | 183 | 128.9 Ų | 128.9 | 96% | 0.958 | 81% | 0.808 | S | S | * | * | trans | -144.9 | 128.2 | 146.5 | -73.8 | -177.7 | 0 | 0 | 0 | 110.8 | ||||
| 156 | S | 38.2 | Very low | 41.2 | Very low | 86 Ų | 86 | 128.9 Ų | 128.9 | 60% | 0.601 | 81% | 0.809 | S | S | * | * | trans | -79 | 143.9 | -176.1 | 163.4 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 157 | F | 42.6 | Very low | 40.9 | Very low | 217 Ų | 217 | 127 Ų | 127 | 95% | 0.952 | 81% | 0.806 | S | S | * | * | trans | -152.6 | 107.7 | 141.8 | -86.9 | -72.1 | 0 | 0 | 0 | 110.4 | ||||
| 158 | S | 41.6 | Very low | 41.3 | Very low | 92 Ų | 92 | 128.5 Ų | 128.5 | 64% | 0.643 | 81% | 0.808 | S | S | * | * | trans | -94.4 | 143.4 | 174.2 | -44.1 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 159 | H | 40.3 | Very low | 41.2 | Very low | 180 Ų | 180 | 127.4 Ų | 127.4 | 83% | 0.833 | 81% | 0.808 | S | S | * | * | trans | -179 | 94.9 | 141.2 | -100.9 | -74.8 | 0 | 0 | 0 | 108.5 | ||||
| 160 | V | 46.9 | Very low | 41.4 | Very low | 112 Ų | 112 | 129.3 Ų | 129.3 | 68% | 0.679 | 81% | 0.807 | S | S | * | * | 52.2 | 118.3 | 105.3 | -55 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 161 | L | 41.3 | Very low | 41.6 | Very low | 177 Ų | 177 | 128.6 Ų | 128.6 | 93% | 0.927 | 81% | 0.807 | S | S | * | * | -175.8 | 139.7 | 104 | -92.6 | 158.7 | 0 | 0 | 0 | 111.6 | |||||
| 162 | N | 43.7 | Very low | 41.8 | Very low | 126 Ų | 126 | 128.4 Ų | 128.4 | 67% | 0.674 | 80% | 0.797 | S | S | * | * | trans | -100.6 | 149.1 | -169.3 | 177.8 | 38.6 | 0 | 0 | 0 | 109.7 | T164 | N162-T164 PolarHBondContact ND2-OG1 3.14Å; N162-T164 PolarHBondContact OD1-OG1 2.63Å | ||
| 163 | C | 40 | Very low | 42.1 | Very low | 138 Ų | 138 | 132.3 Ų | 132.3 | 93% | 0.932 | 79% | 0.792 | S | S | * | * | trans | -152.3 | 122.1 | 153.1 | -97.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 164 | T | 41.6 | Very low | 42.4 | Very low | 111 Ų | 111 | 135 Ų | 135 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | -118 | 133.7 | -172 | -24.6 | 0 | 0 | 0 | 0 | 107.5 | N162 | N162-T164 PolarHBondContact ND2-OG1 3.14Å; N162-T164 PolarHBondContact OD1-OG1 2.63Å | ||
| 165 | V | 43.9 | Very low | 42.2 | Very low | 153 Ų | 153 | 131 Ų | 131 | 93% | 0.927 | 78% | 0.783 | S | S | * | * | trans | -141.2 | 142.8 | 163 | -76.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 166 | A | 39.4 | Very low | 42.1 | Very low | 104 Ų | 104 | 127.8 Ų | 127.8 | 86% | 0.86 | 78% | 0.776 | S | S | * | * | trans | -95.9 | 165.8 | -151.2 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 167 | A | 35.7 | Very low | 42.3 | Very low | 90 Ų | 90 | 128.4 Ų | 128.4 | 74% | 0.744 | 78% | 0.78 | S | S | * | * | trans | -80.7 | 174.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 168 | P | 50.6 | Low | 42.2 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 78% | 0.779 | 77% | 0.77 | S | S | * | * | -150 | 144.1 | 101.2 | 35.2 | -16.3 | 0 | 0 | 0 | 118.3 | |||||
| 169 | T | 39.2 | Very low | 42.1 | Very low | 125 Ų | 125 | 125 Ų | 125 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | 34.1 | 127.9 | 129.9 | -46.8 | 0 | 0 | 0 | 0 | 122.6 | |||||
| 170 | I | 44.1 | Very low | 41.9 | Very low | 168 Ų | 168 | 122.8 Ų | 122.8 | 86% | 0.862 | 77% | 0.773 | S | S | * | * | -168.3 | 129.9 | 118.2 | -83.8 | 147.9 | 0 | 0 | 0 | 109 | |||||
| 171 | A | 44.3 | Very low | 41.3 | Very low | 79 Ų | 79 | 121.4 Ų | 121.4 | 65% | 0.653 | 77% | 0.773 | S | S | * | * | trans | -100.7 | -167.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 172 | P | 48.1 | Very low | 41.1 | Very low | 101 Ų | 101 | 124.5 Ų | 124.5 | 66% | 0.656 | 77% | 0.773 | S | S | * | * | cis | -159.6 | -179.5 | 19.4 | 48.7 | -26.2 | 0 | 0 | 0 | 121 | ||||
| 173 | Q | 42.3 | Very low | 40.7 | Very low | 165 Ų | 165 | 122 Ų | 122 | 77% | 0.771 | 78% | 0.777 | S | S | * | * | trans | 50 | 128.5 | 154.1 | -33.2 | -48.1 | -21 | 0 | 0 | 122.5 | ||||
| 174 | V | 42.5 | Very low | 41 | Very low | 140 Ų | 140 | 121.9 Ų | 121.9 | 85% | 0.848 | 77% | 0.774 | S | S | * | * | -171.8 | 126.1 | 95.6 | -84.8 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 175 | A | 38.6 | Very low | 40.7 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 69% | 0.694 | 78% | 0.778 | S | S | * | * | trans | 46.6 | 112.5 | 141.9 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 176 | S | 39.9 | Very low | 40.7 | Very low | 115 Ų | 115 | 121.4 Ų | 121.4 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | 85.1 | 136.7 | 89.6 | -58 | 0 | 0 | 0 | 0 | 111.8 | |||||
| 177 | S | 41.5 | Very low | 40.9 | Very low | 99 Ų | 99 | 122 Ų | 122 | 69% | 0.692 | 77% | 0.766 | S | S | * | * | cis | -178.6 | 125.4 | 6.5 | 24.6 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 178 | T | 41.1 | Very low | 40.7 | Very low | 121 Ų | 121 | 127 Ų | 127 | 74% | 0.742 | 77% | 0.774 | S | S | * | * | 94.8 | 131.8 | 104.1 | -54.5 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 179 | T | 38.9 | Very low | 40.2 | Very low | 117 Ų | 117 | 126.4 Ų | 126.4 | 72% | 0.718 | 78% | 0.78 | S | S | * | * | trans | 81.7 | 99.4 | 151.2 | 45.2 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 180 | T | 35.5 | Very low | 40.2 | Very low | 133 Ų | 133 | 124.8 Ų | 124.8 | 82% | 0.816 | 78% | 0.779 | S | S | * | * | 32 | 126.4 | 110.7 | -17.4 | 0 | 0 | 0 | 0 | 119.9 | |||||
| 181 | A | 35.1 | Very low | 40.2 | Very low | 83 Ų | 83 | 122.3 Ų | 122.3 | 69% | 0.686 | 77% | 0.774 | S | S | * | * | 130.4 | 136.8 | 119.7 | 0 | 0 | 0 | 0 | 0 | 116 | |||||
| 182 | R | 37.3 | Very low | 39.7 | Very low | 243 Ų | 243 | 124.4 Ų | 124.4 | 92% | 0.917 | 78% | 0.779 | S | S | * | * | trans | 73.5 | 117.9 | 150.1 | -75.4 | 171.7 | 168.6 | -145.3 | -3.5 | 118.7 | ||||
| 183 | G | 34.8 | Very low | 39.3 | Very low | 74 Ų | 74 | 128 Ų | 128 | 76% | 0.763 | 78% | 0.784 | S | S | * | * | trans | -76.7 | 175.3 | 159.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 184 | P | 45.6 | Very low | 39.2 | Very low | 134 Ų | 134 | 127.6 Ų | 127.6 | 87% | 0.87 | 78% | 0.782 | S | S | * | * | trans | -141.5 | 163.5 | 146.8 | 34.3 | -16.7 | 0 | 0 | 0 | 114.8 | ||||
| 185 | T | 35.4 | Very low | 38.7 | Very low | 125 Ų | 125 | 127 Ų | 127 | 77% | 0.767 | 78% | 0.779 | S | S | * | * | trans | -89.6 | 162.6 | -179.4 | -41.3 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 186 | V | 45.3 | Very low | 38.6 | Very low | 129 Ų | 129 | 128 Ų | 128 | 78% | 0.782 | 78% | 0.779 | S | S | * | * | trans | 68.4 | 163 | 156.5 | -104.7 | 0 | 0 | 0 | 0 | 120 | ||||
| 187 | P | 42.7 | Very low | 38.3 | Very low | 116 Ų | 116 | 128.4 Ų | 128.4 | 75% | 0.753 | 78% | 0.776 | S | S | * | * | cis | -139.2 | -179.2 | -14.5 | 27.9 | -3.5 | 0 | 0 | 0 | 116.5 | ||||
| 188 | Q | 32.7 | Very low | 38.3 | Very low | 195 Ų | 195 | 132.7 Ų | 132.7 | 91% | 0.911 | 78% | 0.782 | S | S | * | * | trans | -52.2 | 145.5 | 171.3 | -66.9 | 165 | 9 | 0 | 0 | 116.4 | ||||
| 189 | A | 39 | Very low | 38.3 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 90% | 0.901 | 79% | 0.785 | S | S | * | * | trans | -172.8 | 140.1 | 136.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 190 | A | 40.4 | Very low | 38.4 | Very low | 91 Ų | 91 | 138.1 Ų | 138.1 | 75% | 0.752 | 79% | 0.793 | S | S | * | * | trans | -118.9 | -175.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 191 | P | 43.4 | Very low | 39.2 | Very low | 116 Ų | 116 | 137.3 Ų | 137.3 | 75% | 0.753 | 79% | 0.788 | S | S | * | * | cis | -135.3 | -179.1 | -37.5 | 27.4 | -5.5 | 0 | 0 | 0 | 114.2 | ||||
| 192 | T | 34.2 | Very low | 39.4 | Very low | 123 Ų | 123 | 137.3 Ų | 137.3 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | 92.8 | 111.9 | 146.1 | -19.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 193 | K | 38.9 | Very low | 40.3 | Very low | 175 Ų | 175 | 132.4 Ų | 132.4 | 76% | 0.761 | 78% | 0.782 | S | S | * | * | 174.4 | 121.9 | 113.3 | -93 | -176 | -177.9 | -168.1 | 0 | 113.7 | |||||
| 194 | Q | 40.4 | Very low | 40.6 | Very low | 157 Ų | 157 | 139.5 Ų | 139.5 | 73% | 0.734 | 79% | 0.788 | S | S | * | * | trans | 70.5 | 107.6 | 134.4 | -61.2 | 179 | 19.5 | 0 | 0 | 123.4 | ||||
| 195 | T | 32.2 | Very low | 40.8 | Very low | 129 Ų | 129 | 138.2 Ų | 138.2 | 79% | 0.791 | 78% | 0.782 | S | S | * | * | trans | 57.5 | 152.9 | 132.6 | 6.7 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 196 | P | 36.2 | Very low | 41.2 | Very low | 105 Ų | 105 | 136.9 Ų | 136.9 | 68% | 0.682 | 78% | 0.784 | S | S | * | * | cis | -134.3 | 157 | 2.5 | 40.3 | -21 | 0 | 0 | 0 | 118.2 | ||||
| 197 | T | 33 | Very low | 41.1 | Very low | 122 Ų | 122 | 140.3 Ų | 140.3 | 75% | 0.748 | 79% | 0.788 | S | S | * | * | trans | 13 | 112.7 | 152.7 | 61.8 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 198 | K | 42.5 | Very low | 41 | Very low | 189 Ų | 189 | 141.5 Ų | 141.5 | 82% | 0.822 | 79% | 0.785 | S | S | * | * | trans | -139.3 | 104.4 | 143.6 | -85 | -171.4 | 179.4 | 175 | 0 | 110.6 | F200 | K198-F200 PolarHBondContact O-N 3.15Š| ||
| 199 | N | 41.3 | Very low | 41.3 | Very low | 151 Ų | 151 | 141 Ų | 141 | 81% | 0.807 | 78% | 0.783 | S | S | * | * | trans | -66.8 | 110 | 171.5 | -74.6 | -8.4 | 0 | 0 | 0 | 110 | V201 | N199-V201 HydrophobicContact CB-CG2 4.4Å; N199-V201 PolarHBondContact O-N 3.19Å | ||
| 200 | F | 41.3 | Very low | 41.3 | Very low | 201 Ų | 201 | 144.4 Ų | 144.4 | 88% | 0.882 | 78% | 0.78 | S | S | * | * | trans | -84.8 | 94.9 | 161.3 | -89.6 | -92.3 | 0 | 0 | 0 | 108.4 | K198 | K198-F200 PolarHBondContact O-N 3.15Š| ||
| 201 | V | 51.6 | Low | 41.5 | Very low | 117 Ų | 117 | 144.7 Ų | 144.7 | 71% | 0.709 | 77% | 0.773 | S | S | * | * | trans | -83.2 | 113.2 | 169.2 | 178.3 | 0 | 0 | 0 | 0 | 107.3 | N199 | N199-V201 HydrophobicContact CB-CG2 4.4Å; N199-V201 PolarHBondContact O-N 3.19Å | ||
| 202 | S | 40.2 | Very low | 41.5 | Very low | 82 Ų | 82 | 143.9 Ų | 143.9 | 57% | 0.573 | 77% | 0.77 | S | S | * | * | trans | -59.9 | 135.8 | 170.9 | 51.2 | 0 | 0 | 0 | 0 | 110.1 | Y204 | S202-Y204 PolarHBondContact O-N 2.82Š| ||
| 203 | P | 55.2 | Low | 42.5 | Very low | 140 Ų | 140 | 144.1 Ų | 144.1 | 91% | 0.909 | 77% | 0.771 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | 16.9 | -166.4 | 29.9 | -36.6 | 0 | 0 | 0 | 115.3 | ||
| 204 | Y | 40.6 | Very low | 43 | Very low | 224 Ų | 224 | 143.6 Ų | 143.6 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.4 | 5.5 | -168.4 | -147.5 | -98.7 | 0 | 0 | 0 | 115 | S202 | S202-Y204 PolarHBondContact O-N 2.82Š|
| 205 | S | 49.7 | Very low | 43.4 | Very low | 106 Ų | 106 | 142.2 Ų | 142.2 | 74% | 0.741 | 77% | 0.772 | S | S | * | * | S | Bend | trans | -110 | 11.7 | -169.2 | -159.7 | 0 | 0 | 0 | 0 | 116.2 | ||
| 206 | A | 44 | Very low | 43.5 | Very low | 98 Ų | 98 | 147.2 Ų | 147.2 | 81% | 0.81 | 78% | 0.778 | S | S | * | * | S | Bend | trans | -134.5 | 20.3 | -169 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||
| 207 | K | 43.6 | Very low | 44.1 | Very low | 201 Ų | 201 | 147.3 Ų | 147.3 | 87% | 0.874 | 78% | 0.781 | S | S | * | * | trans | -139.1 | 141.7 | 172.5 | -101.4 | 174.4 | 174.4 | 178.1 | 0 | 110.8 | ||||
| 208 | M | 39.9 | Very low | 44.9 | Very low | 141 Ų | 141 | 146.9 Ų | 146.9 | 70% | 0.695 | 78% | 0.783 | S | S | * | * | trans | 90.2 | 55.4 | 176.8 | -56.7 | -155.2 | 157.3 | 0 | 0 | 117.5 | T211 | M208-T211 HydrophobicContact CE-CG2 3.64Å; M208-T211 WeakPolarHBondContact CE-OG1 3.36Å; M208-T211 HydrophobicContact SD-CG2 4.2Å; M208-T211 PolarHBondContact SD-OG1 2.97Å | ||
| 209 | Q | 39.7 | Very low | 45.1 | Very low | 183 Ų | 183 | 146.7 Ų | 146.7 | 86% | 0.855 | 79% | 0.785 | S | S | * | * | S | Bend | -58.3 | 128.3 | 121.8 | -71.5 | 171.3 | -20.6 | 0 | 0 | 107.8 | |||
| 210 | Q | 39.3 | Very low | 45.2 | Very low | 182 Ų | 182 | 151.4 Ų | 151.4 | 85% | 0.85 | 79% | 0.792 | S | S | * | * | S | Bend | trans | 68.6 | 76.2 | 164.8 | -50.2 | 170.3 | 4.7 | 0 | 0 | 117.4 | ||
| 211 | T | 44 | Very low | 45.3 | Very low | 97 Ų | 97 | 145.6 Ų | 145.6 | 60% | 0.595 | 79% | 0.788 | S | S | * | * | trans | -148.7 | 137.1 | 142.4 | 65.9 | 0 | 0 | 0 | 0 | 110.6 | M208 | M208-T211 HydrophobicContact CE-CG2 3.64Å; M208-T211 WeakPolarHBondContact CE-OG1 3.36Å; M208-T211 HydrophobicContact SD-CG2 4.2Å; M208-T211 PolarHBondContact SD-OG1 2.97Å | ||
| 212 | S | 43 | Very low | 44.9 | Very low | 99 Ų | 99 | 143.5 Ų | 143.5 | 69% | 0.692 | 79% | 0.791 | S | S | * | * | trans | -68.9 | 129.7 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 111.7 | L214 | S212-L214 PolarHBondContact O-N 3.19Š| ||
| 213 | T | 56.3 | Low | 45.2 | Very low | 127 Ų | 127 | 150 Ų | 150 | 78% | 0.779 | 81% | 0.808 | S | S | * | * | trans | -66.1 | 102 | 165.7 | -46.7 | 0 | 0 | 0 | 0 | 109.1 | I215 | T213-I215 HydrophobicContact CG2-CD1 4.3Å; T213-I215 PolarHBondContact O-N 2.91Å | ||
| 214 | L | 48.8 | Very low | 44.9 | Very low | 164 Ų | 164 | 149.8 Ų | 149.8 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | trans | -66.6 | 106.4 | 170.4 | -105.3 | 147.3 | 0 | 0 | 0 | 108.9 | S212 | S212-L214 PolarHBondContact O-N 3.19Š| ||
| 215 | I | 48.7 | Very low | 45.4 | Very low | 129 Ų | 129 | 144.7 Ų | 144.7 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | trans | -92.5 | 121.2 | 169.1 | -57.1 | -75.5 | 0 | 0 | 0 | 107.3 | T213 S217 | T213-I215 HydrophobicContact CG2-CD1 4.3Å; T213-I215 PolarHBondContact O-N 2.91Å; I215-S217 PolarHBondContact O-N 3.2Å; I215-S217 PolarHBondContact O-OG 3.36Å | ||
| 216 | Y | 34 | Very low | 45.5 | Very low | 234 Ų | 234 | 145.7 Ų | 145.7 | 92% | 0.918 | 80% | 0.8 | S | S | * | * | trans | -40 | 117.9 | 175 | -130.7 | -100 | 0 | 0 | 0 | 111.2 | ||||
| 217 | S | 48.5 | Very low | 45.6 | Very low | 106 Ų | 106 | 148.2 Ų | 148.2 | 74% | 0.741 | 80% | 0.796 | S | S | * | * | trans | -128.3 | 106 | 176.8 | -65.2 | 0 | 0 | 0 | 0 | 109.4 | I215 | I215-S217 PolarHBondContact O-N 3.2Å; I215-S217 PolarHBondContact O-OG 3.36Å | ||
| 218 | S | 50.2 | Low | 46 | Very low | 113 Ų | 113 | 144.1 Ų | 144.1 | 79% | 0.79 | 79% | 0.792 | S | S | * | * | trans | -57.2 | 132.7 | 167.9 | 40 | 0 | 0 | 0 | 0 | 110.9 | R220 | S218-R220 PolarHBondContact O-N 2.81Š| ||
| 219 | E | 46.8 | Very low | 46.8 | Very low | 186 Ų | 186 | 146.3 Ų | 146.3 | 87% | 0.869 | 79% | 0.792 | S | S | * | * | S | Bend | trans | -65.2 | 78.2 | -172.3 | -59.5 | 176.4 | 163.9 | 0 | 0 | 113.7 | ||
| 220 | R | 44.6 | Very low | 47.6 | Very low | 250 Ų | 250 | 143 Ų | 143 | 94% | 0.943 | 79% | 0.785 | S | S | * | * | trans | 168.9 | 102.3 | 153.2 | -103.9 | 170.9 | -114.6 | -157.4 | -5.5 | 109.6 | S218 | S218-R220 PolarHBondContact O-N 2.81Š| ||
| 221 | G | 41.7 | Very low | 48.4 | Very low | 79 Ų | 79 | 140.6 Ų | 140.6 | 81% | 0.814 | 78% | 0.783 | S | S | * | * | trans | 177 | 127.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 222 | G | 43.9 | Very low | 49.3 | Very low | 73 Ų | 73 | 137.4 Ų | 137.4 | 75% | 0.753 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 148.8 | -164 | 0 | 0 | 0 | 0 | 0 | 116.9 | V224 | G222-V224 PolarHBondContact O-N 3.3Š| ||
| 223 | K | 46.5 | Very low | 50.6 | Low | 218 Ų | 218 | 135.6 Ų | 135.6 | 95% | 0.948 | 76% | 0.756 | S | S | * | * | trans | -62.7 | 111.6 | 176.5 | -64.9 | 179.9 | 180 | -176.6 | 0 | 110.6 | ||||
| 224 | V | 49.9 | Very low | 51.2 | Low | 135 Ų | 135 | 135.6 Ų | 135.6 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | trans | -97.7 | 126 | 163.1 | -176.9 | 0 | 0 | 0 | 0 | 107.9 | G222 | G222-V224 PolarHBondContact O-N 3.3Š| ||
| 225 | T | 49.6 | Very low | 52.3 | Low | 118 Ų | 118 | 134.1 Ų | 134.1 | 72% | 0.724 | 74% | 0.743 | S | S | * | * | trans | -66.1 | 131.4 | 178.8 | 33.8 | 0 | 0 | 0 | 0 | 110.9 | Q227 | T225-Q227 PolarHBondContact O-N 3.23Å; T225-Q227 VanDerWaalsContact O-N 3.15Å | ||
| 226 | P | 52.8 | Low | 53.2 | Low | 126 Ų | 126 | 132.3 Ų | 132.3 | 82% | 0.818 | 74% | 0.735 | S | S | * | * | trans | -69.2 | 115.1 | 176.4 | 27 | -31.5 | 0 | 0 | 0 | 109.2 | S228 | P226-S228 PolarHBondContact O-N 2.8Š| ||
| 227 | Q | 46.2 | Very low | 55.2 | Low | 152 Ų | 152 | 126 Ų | 126 | 71% | 0.71 | 71% | 0.71 | S | S | * | * | trans | -70.1 | 111.6 | 172.1 | -59.4 | -161.5 | -23.2 | 0 | 0 | 108.3 | T225 R229 | T225-Q227 PolarHBondContact O-N 3.23Å; T225-Q227 VanDerWaalsContact O-N 3.15Å; Q227-R229 VanDerWaalsContact C-N 3.34Å; Q227-R229 PolarHBondContact O-N 3.26Å | ||
| 228 | S | 51.4 | Low | 56.3 | Low | 114 Ų | 114 | 124 Ų | 124 | 80% | 0.797 | 69% | 0.691 | S | S | * | * | trans | -62.1 | 90.3 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 110 | P226 | P226-S228 PolarHBondContact O-N 2.8Š| ||
| 229 | R | 56.3 | Low | 57.6 | Low | 187 Ų | 187 | 123.4 Ų | 123.4 | 71% | 0.706 | 69% | 0.685 | S | S | * | * | trans | -90.1 | 106.6 | 169.1 | -64.9 | -174.5 | -179.7 | 170.7 | 0.8 | 107.8 | Q227 V231 | Q227-R229 VanDerWaalsContact C-N 3.34Å; Q227-R229 PolarHBondContact O-N 3.26Å; R229-V231 PolarHBondContact O-N 2.98Å; R229-V231 VanDerWaalsContact O-N 3.17Å | ||
| 230 | T | 56.4 | Low | 58.8 | Low | 113 Ų | 113 | 123.2 Ų | 123.2 | 69% | 0.693 | 69% | 0.686 | S | S | * | * | trans | -63.9 | 113.5 | 170.1 | -46.3 | 0 | 0 | 0 | 0 | 107.9 | G232 | T230-G232 PolarHBondContact O-N 2.81Å; T230-G232 VanDerWaalsContact O-N 3.1Å | ||
| 231 | V | 56.1 | Low | 60.1 | Low | 133 Ų | 133 | 115.8 Ų | 115.8 | 81% | 0.806 | 67% | 0.665 | S | S | * | * | trans | -69.6 | 104.2 | 177 | -178.1 | 0 | 0 | 0 | 0 | 107.9 | R229 | R229-V231 PolarHBondContact O-N 2.98Å; R229-V231 VanDerWaalsContact O-N 3.17Å | ||
| 232 | G | 62.9 | Low | 61.6 | Low | 30 Ų | 30 | 114 Ų | 114 | 31% | 0.309 | 65% | 0.646 | S | S | . | * | trans | -89.3 | 172.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | T230 W244 | T230-G232 PolarHBondContact O-N 2.81Å; T230-G232 VanDerWaalsContact O-N 3.1Å; G232-W244 WeakPolarHBondContact O-CZ3 3.45Å | ||
| 233 | S | 70.5 | Confident | 62.8 | Low | 60 Ų | 60 | 116.8 Ų | 116.8 | 42% | 0.42 | 64% | 0.64 | S | S | . | * | trans | -65.2 | 140.4 | 166.4 | -171 | 0 | 0 | 0 | 0 | 109.9 | D235 N236 W244 | S233-D235 PolarHBondContact O-N 3.22Å; S233-D235 PolarHBondContact OG-OD2 3Å; S233-N236 PolarHBondContact O-N 3.17Å; S233-W244 VanDerWaalsContact O-CZ3 3.28Å; S233-W244 WeakPolarHBondContact O-CZ3 3.43Å | ||
| 234 | I | 70.4 | Confident | 63.6 | Low | 127 Ų | 127 | 110 Ų | 110 | 65% | 0.651 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -50.4 | -27.6 | 178.6 | -169.3 | 66.1 | 0 | 0 | 0 | 112.5 | N236 Y237 | I234-N236 PolarHBondContact O-N 2.85Å; I234-Y237 PolarHBondContact O-N 2.82Å |
| 235 | D | 71 | Confident | 64 | Low | 134 Ų | 134 | 106.1 Ų | 106.1 | 72% | 0.717 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -64.6 | -17.7 | 177.4 | -47.7 | -56.7 | 0 | 0 | 0 | 114.1 | S233 | S233-D235 PolarHBondContact O-N 3.22Å; S233-D235 PolarHBondContact OG-OD2 3Å |
| 236 | N | 68 | Low | 64.2 | Low | 90 Ų | 90 | 105.2 Ų | 105.2 | 48% | 0.481 | 59% | 0.594 | S | S | . | * | G | 310 helix | trans | -108.5 | 8.1 | -179.5 | -55.5 | -69.6 | 0 | 0 | 0 | 113.2 | S233 I234 G245 | S233-N236 PolarHBondContact O-N 3.17Å; I234-N236 PolarHBondContact O-N 2.85Å; N236-G245 PolarHBondContact O-N 3.38Å |
| 237 | Y | 75.6 | Confident | 63.7 | Low | 103 Ų | 103 | 106.9 Ų | 106.9 | 40% | 0.404 | 59% | 0.594 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.3 | 116 | 177.5 | -173.7 | -106.8 | 0 | 0 | 0 | 110.1 | I234 P239 W244 | I234-Y237 PolarHBondContact O-N 2.82Å; Y237-P239 HydrophobicContact CE1-CB 4.36Å; Y237-P239 WeakPolarHBondContact O-CD 3.47Å; Y237-W244 AromaticContact CD2-CD2 3.87Å; Y237-W244 HydrophobicContact CD2-CD2 3.87Å; Y237-W244 AromaticContact CD2-CE2 3.64Å; Y237-W244 HydrophobicContact CD2-CE3 4.21Å; Y237-W244 HydrophobicContact CD2-CG 4.37Å; Y237-W244 HydrophobicContact CD2-CH2 4.2Å; Y237-W244 AromaticContact CD2-CZ2 3.84Å; Y237-W244 HydrophobicContact CD2-CZ2 3.84Å; Y237-W244 HydrophobicContact CD2-CZ3 4.35Å; Y237-W244 AromaticContact CD2-NE1 3.98Å; Y237-W244 HydrophobicContact CE2-CZ2 4.43Å; Y237-W244 HydrophobicContact CG-CH2 4.48Å |
| 238 | D | 71.9 | Confident | 63.2 | Low | 62 Ų | 62 | 105 Ų | 105 | 33% | 0.332 | 59% | 0.592 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -94.2 | 114.6 | 171.8 | 179.1 | -3.6 | 0 | 0 | 0 | 110.1 | M240 N241 G242 Q243 | D238-M240 VanDerWaalsContact C-N 3.27Å; D238-M240 PolarHBondContact O-N 2.77Å; D238-M240 PolarHBondContact OD1-N 3.47Å; D238-N241 WeakPolarHBondContact CB-OD1 3.14Å; D238-N241 VanDerWaalsContact CG-OD1 3.24Å; D238-N241 PolarHBondContact O-OD1 3.19Å; D238-N241 VanDerWaalsContact O-OD1 3.11Å; D238-N241 PolarHBondContact OD2-ND2 3.19Å; D238-N241 PolarHBondContact OD2-OD1 2.97Å; D238-G242 PolarHBondContact O-N 3.27Å; D238-G242 VanDerWaalsContact O-N 3.11Å; D238-Q243 PolarHBondContact N-O 3.45Å |
| 239 | P | 76.2 | Confident | 62.6 | Low | 102 Ų | 102 | 106.9 Ų | 106.9 | 66% | 0.662 | 59% | 0.594 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | -12.7 | -176.9 | 29.9 | -35.1 | 0 | 0 | 0 | 114 | Y237 | Y237-P239 HydrophobicContact CE1-CB 4.36Å; Y237-P239 WeakPolarHBondContact O-CD 3.47Å |
| 240 | M | 73.6 | Confident | 61.7 | Low | 181 Ų | 181 | 102.6 Ų | 102.6 | 89% | 0.892 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | -23.4 | -178.7 | -68.1 | -163.8 | 69.9 | 0 | 0 | 113.5 | D238 | D238-M240 VanDerWaalsContact C-N 3.27Å; D238-M240 PolarHBondContact O-N 2.77Å; D238-M240 PolarHBondContact OD1-N 3.47Å |
| 241 | N | 70.5 | Confident | 60.9 | Low | 94 Ų | 94 | 102.9 Ų | 102.9 | 50% | 0.503 | 59% | 0.59 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125 | -1.5 | -177.3 | 52 | 27.5 | 0 | 0 | 0 | 112.8 | D238 Q243 | D238-N241 WeakPolarHBondContact CB-OD1 3.14Å; D238-N241 VanDerWaalsContact CG-OD1 3.24Å; D238-N241 PolarHBondContact O-OD1 3.19Å; D238-N241 VanDerWaalsContact O-OD1 3.11Å; D238-N241 PolarHBondContact OD2-ND2 3.19Å; D238-N241 PolarHBondContact OD2-OD1 2.97Å; N241-Q243 PolarHBondContact O-N 2.9Å; N241-Q243 VanDerWaalsContact O-N 3.09Å; N241-Q243 PolarHBondContact OD1-N 2.8Å |
| 242 | G | 73 | Confident | 60 | Low | 42 Ų | 42 | 107 Ų | 107 | 43% | 0.433 | 59% | 0.591 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 62.8 | 16 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D238 | D238-G242 PolarHBondContact O-N 3.27Å; D238-G242 VanDerWaalsContact O-N 3.11Å |
| 243 | Q | 69.9 | Low | 58.6 | Low | 131 Ų | 131 | 112 Ų | 112 | 61% | 0.612 | 61% | 0.61 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -109.4 | 131.6 | -172.4 | -159 | 86.8 | -32.6 | 0 | 0 | 108.5 | D238 N241 G245 | D238-Q243 PolarHBondContact N-O 3.45Å; N241-Q243 PolarHBondContact O-N 2.9Å; N241-Q243 VanDerWaalsContact O-N 3.09Å; N241-Q243 PolarHBondContact OD1-N 2.8Å; Q243-G245 PolarHBondContact O-N 2.91Å |
| 244 | W | 63.7 | Low | 56.9 | Low | 77 Ų | 77 | 115.6 Ų | 115.6 | 29% | 0.292 | 62% | 0.622 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -70.6 | 121.7 | 167.6 | -61.8 | 85.2 | 0 | 0 | 0 | 107.7 | G232 S233 Y237 S246 | G232-W244 WeakPolarHBondContact O-CZ3 3.45Å; S233-W244 VanDerWaalsContact O-CZ3 3.28Å; S233-W244 WeakPolarHBondContact O-CZ3 3.43Å; Y237-W244 AromaticContact CD2-CD2 3.87Å; Y237-W244 HydrophobicContact CD2-CD2 3.87Å; Y237-W244 AromaticContact CD2-CE2 3.64Å; Y237-W244 HydrophobicContact CD2-CE3 4.21Å; Y237-W244 HydrophobicContact CD2-CG 4.37Å; Y237-W244 HydrophobicContact CD2-CH2 4.2Å; Y237-W244 AromaticContact CD2-CZ2 3.84Å; Y237-W244 HydrophobicContact CD2-CZ2 3.84Å; Y237-W244 HydrophobicContact CD2-CZ3 4.35Å; Y237-W244 AromaticContact CD2-NE1 3.98Å; Y237-W244 HydrophobicContact CE2-CZ2 4.43Å; Y237-W244 HydrophobicContact CG-CH2 4.48Å; W244-S246 PolarHBondContact O-N 2.89Å |
| 245 | G | 58.3 | Low | 55.2 | Low | 52 Ų | 52 | 118.8 Ų | 118.8 | 54% | 0.536 | 63% | 0.631 | S | S | . | * | trans | -55.9 | 105.5 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | N236 Q243 | N236-G245 PolarHBondContact O-N 3.38Å; Q243-G245 PolarHBondContact O-N 2.91Å | ||
| 246 | S | 54.2 | Low | 53.3 | Low | 99 Ų | 99 | 118 Ų | 118 | 69% | 0.692 | 64% | 0.637 | S | S | * | * | trans | -91.8 | 109.4 | 176.2 | 165.4 | 0 | 0 | 0 | 0 | 109.2 | W244 | W244-S246 PolarHBondContact O-N 2.89Š| ||
| 247 | I | 41.5 | Very low | 52.2 | Low | 161 Ų | 161 | 120 Ų | 120 | 83% | 0.826 | 66% | 0.655 | S | S | * | * | trans | -77.9 | 130.1 | 148.4 | -71.6 | 162 | 0 | 0 | 0 | 106.1 | ||||
| 248 | V | 35.2 | Very low | 50.3 | Low | 112 Ų | 112 | 120.8 Ų | 120.8 | 68% | 0.679 | 68% | 0.675 | S | S | * | * | trans | 83.7 | 95.8 | 172.2 | -149.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 249 | N | 39.1 | Very low | 48.7 | Very low | 154 Ų | 154 | 121.6 Ų | 121.6 | 82% | 0.824 | 69% | 0.69 | S | S | * | * | -155.4 | 124.2 | 115.7 | -144.4 | 24.6 | 0 | 0 | 0 | 112.7 | N251 | N249-N251 PolarHBondContact O-N 3.27Š| |||
| 250 | S | 37.1 | Very low | 47 | Very low | 97 Ų | 97 | 126.3 Ų | 126.3 | 68% | 0.678 | 70% | 0.7 | S | S | * | * | trans | -62.7 | 121.2 | 174.1 | -51.3 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 251 | N | 39.8 | Very low | 45 | Very low | 120 Ų | 120 | 124.4 Ų | 124.4 | 64% | 0.642 | 70% | 0.699 | S | S | * | * | trans | -174.2 | 112.8 | 141.2 | -98.7 | -34.6 | 0 | 0 | 0 | 112.1 | N249 | N249-N251 PolarHBondContact O-N 3.27Š| ||
| 252 | R | 38.6 | Very low | 43.5 | Very low | 220 Ų | 220 | 123.8 Ų | 123.8 | 83% | 0.83 | 72% | 0.715 | S | S | * | * | trans | 54 | 117.5 | 135.3 | -57.3 | 179.8 | -126.8 | -170.6 | 2.3 | 118.2 | ||||
| 253 | N | 33.4 | Very low | 41.7 | Very low | 133 Ų | 133 | 126.5 Ų | 126.5 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | 131.2 | 134.9 | 120.3 | -156.6 | 11.7 | 0 | 0 | 0 | 113.7 | |||||
| 254 | M | 34.7 | Very low | 40.3 | Very low | 136 Ų | 136 | 128.3 Ų | 128.3 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | 95.7 | 96.4 | 160.9 | -56 | -61.9 | 172.3 | 0 | 0 | 120.4 | ||||
| 255 | K | 34.6 | Very low | 38.8 | Very low | 194 Ų | 194 | 129.6 Ų | 129.6 | 84% | 0.843 | 77% | 0.768 | S | S | * | * | trans | 74 | 101.6 | 131 | -74.8 | 174.5 | 172.4 | -175.9 | 0 | 120.3 | ||||
| 256 | S | 30.9 | Very low | 37.6 | Very low | 118 Ų | 118 | 137.3 Ų | 137.3 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -88.2 | 158.1 | 154.7 | 32.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 257 | P | 44.3 | Very low | 36.8 | Very low | 133 Ų | 133 | 137.2 Ų | 137.2 | 86% | 0.864 | 79% | 0.787 | S | S | * | * | trans | -119.3 | 151.9 | 141.8 | 7 | 14.1 | 0 | 0 | 0 | 113.3 | ||||
| 258 | S | 36.1 | Very low | 36.7 | Very low | 118 Ų | 118 | 132.6 Ų | 132.6 | 83% | 0.825 | 78% | 0.779 | S | S | * | * | trans | -77.2 | 148 | -164.7 | -114.2 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 259 | A | 37.7 | Very low | 37 | Very low | 79 Ų | 79 | 136.6 Ų | 136.6 | 65% | 0.653 | 79% | 0.79 | S | S | * | * | 64 | 130.6 | 126.1 | 0 | 0 | 0 | 0 | 0 | 121.4 | |||||
| 260 | K | 41 | Very low | 37 | Very low | 201 Ų | 201 | 133.3 Ų | 133.3 | 87% | 0.874 | 78% | 0.784 | S | S | * | * | 175.3 | 136.8 | 85.5 | -86 | -178.6 | -175.8 | 174.4 | 0 | 113 | |||||
| 261 | T | 32.2 | Very low | 37.2 | Very low | 141 Ų | 141 | 133 Ų | 133 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -27.4 | 147.1 | 162.6 | -45 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 262 | G | 37.7 | Very low | 37.4 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 84% | 0.835 | 79% | 0.791 | S | S | * | * | trans | -170 | 94.5 | 160.2 | 0 | 0 | 0 | 0 | 0 | 113 | ||||
| 263 | S | 35.5 | Very low | 37.3 | Very low | 99 Ų | 99 | 128.9 Ų | 128.9 | 69% | 0.692 | 79% | 0.79 | S | S | * | * | trans | -76.6 | 153.6 | 175.2 | 47.6 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 264 | N | 39.9 | Very low | 37.4 | Very low | 170 Ų | 170 | 126.7 Ų | 126.7 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -163.2 | 125.1 | 138.9 | -92.9 | -19.5 | 0 | 0 | 0 | 111.8 | ||||
| 265 | A | 32.8 | Very low | 37.4 | Very low | 104 Ų | 104 | 128.1 Ų | 128.1 | 86% | 0.86 | 80% | 0.8 | S | S | * | * | trans | -106.9 | 147.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 266 | F | 34.3 | Very low | 37.2 | Very low | 214 Ų | 214 | 123.9 Ų | 123.9 | 94% | 0.939 | 79% | 0.79 | S | S | * | * | trans | -129.5 | 135.4 | 166.9 | -171.9 | -101.2 | 0 | 0 | 0 | 109.7 | ||||
| 267 | S | 37.1 | Very low | 37.2 | Very low | 97 Ų | 97 | 126.9 Ų | 126.9 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -110.7 | 161.1 | -168 | 76 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 268 | G | 38.3 | Very low | 36.6 | Very low | 64 Ų | 64 | 127.2 Ų | 127.2 | 66% | 0.66 | 79% | 0.791 | S | S | * | * | trans | 166.8 | 97.5 | 159 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 269 | Q | 41.5 | Very low | 36.4 | Very low | 196 Ų | 196 | 127.3 Ų | 127.3 | 92% | 0.916 | 79% | 0.792 | S | S | * | * | 59.4 | 128.3 | 93.6 | -70.1 | -174.4 | 6.8 | 0 | 0 | 112.6 | |||||
| 270 | A | 40 | Very low | 36.2 | Very low | 84 Ų | 84 | 129.5 Ų | 129.5 | 69% | 0.694 | 80% | 0.802 | S | S | * | * | cis | -164 | 152.4 | 17 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 271 | S | 40.3 | Very low | 36 | Very low | 92 Ų | 92 | 127.7 Ų | 127.7 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | trans | 52.8 | 114.7 | 134.3 | 67 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 272 | N | 44.9 | Very low | 36.1 | Very low | 154 Ų | 154 | 132.4 Ų | 132.4 | 82% | 0.824 | 80% | 0.799 | S | S | * | * | 173.4 | 133.9 | 85.2 | -88.7 | -43.4 | 0 | 0 | 0 | 114.4 | |||||
| 273 | A | 37 | Very low | 36.3 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 81% | 0.81 | 80% | 0.798 | S | S | * | * | trans | 71.3 | 118.6 | 140.4 | 0 | 0 | 0 | 0 | 0 | 123 | ||||
| 274 | A | 34.6 | Very low | 36.2 | Very low | 88 Ų | 88 | 140.4 Ų | 140.4 | 73% | 0.727 | 81% | 0.809 | S | S | * | * | trans | 106.7 | 105.5 | 132.3 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 275 | L | 33.8 | Very low | 36 | Very low | 166 Ų | 166 | 136 Ų | 136 | 87% | 0.869 | 80% | 0.804 | S | S | * | * | trans | 57.9 | 125.5 | 132.9 | -97.7 | 75.5 | 0 | 0 | 0 | 117.8 | ||||
| 276 | T | 31.9 | Very low | 36.1 | Very low | 104 Ų | 104 | 135.2 Ų | 135.2 | 64% | 0.638 | 81% | 0.806 | S | S | * | * | cis | -168.4 | 134.3 | 34.5 | -46.7 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 277 | Q | 30.3 | Very low | 36.3 | Very low | 182 Ų | 182 | 128.2 Ų | 128.2 | 85% | 0.85 | 79% | 0.794 | S | S | * | * | trans | 6 | 113.4 | 154.7 | -52.3 | 173.2 | 41.3 | 0 | 0 | 118.1 | ||||
| 278 | T | 31.7 | Very low | 36.7 | Very low | 140 Ų | 140 | 129.8 Ų | 129.8 | 86% | 0.859 | 81% | 0.805 | S | S | * | * | trans | -143.6 | 126.5 | 143.9 | 22.3 | 0 | 0 | 0 | 0 | 110.5 | S280 | T278-S280 PolarHBondContact O-N 2.96Š| ||
| 279 | S | 31.9 | Very low | 37.6 | Very low | 119 Ų | 119 | 129.4 Ų | 129.4 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -62.5 | 125.1 | -167.2 | -43.2 | 0 | 0 | 0 | 0 | 112 | Q281 | S279-Q281 PolarHBondContact O-N 3.48Š| ||
| 280 | S | 33.8 | Very low | 39 | Very low | 125 Ų | 125 | 128.3 Ų | 128.3 | 87% | 0.874 | 79% | 0.789 | S | S | * | * | trans | -63.1 | 92.8 | 167.9 | -71.5 | 0 | 0 | 0 | 0 | 110.5 | T278 | T278-S280 PolarHBondContact O-N 2.96Š| ||
| 281 | Q | 36.4 | Very low | 41.1 | Very low | 163 Ų | 163 | 129.1 Ų | 129.1 | 76% | 0.762 | 79% | 0.785 | S | S | * | * | trans | -97.7 | 91.2 | 163.9 | -135 | 167.6 | 30.1 | 0 | 0 | 108.8 | S279 R283 | S279-Q281 PolarHBondContact O-N 3.48Å; Q281-R283 PolarHBondContact O-N 3.42Å | ||
| 282 | R | 34.3 | Very low | 43.2 | Very low | 240 Ų | 240 | 125.1 Ų | 125.1 | 91% | 0.906 | 76% | 0.757 | S | S | * | * | trans | -51.9 | 121.3 | 163.3 | -66.1 | 179.1 | 173.2 | -144.3 | -1.6 | 108.6 | ||||
| 283 | R | 42.1 | Very low | 45.1 | Very low | 214 Ų | 214 | 123.2 Ų | 123.2 | 81% | 0.808 | 75% | 0.751 | S | S | * | * | trans | -139.6 | 120.9 | 159.1 | -74.3 | -163.8 | 175.8 | -154.4 | -0.8 | 111.5 | Q281 | Q281-R283 PolarHBondContact O-N 3.42Š| ||
| 284 | S | 34.3 | Very low | 47.6 | Very low | 134 Ų | 134 | 121.1 Ų | 121.1 | 94% | 0.937 | 72% | 0.724 | S | S | * | * | trans | -60 | 157.9 | 178.1 | -58.3 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 285 | G | 35.6 | Very low | 50.1 | Low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 72% | 0.718 | S | S | * | * | trans | 124.1 | 105 | 160 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 286 | G | 33.6 | Very low | 52.7 | Low | 88 Ų | 88 | 125.4 Ų | 125.4 | 91% | 0.907 | 72% | 0.722 | S | S | * | * | cis | 80.4 | 85.4 | 32.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 287 | G | 39.7 | Very low | 55.3 | Low | 67 Ų | 67 | 124.1 Ų | 124.1 | 69% | 0.691 | 73% | 0.73 | S | S | * | * | trans | 144 | 134 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111 | G289 | G287-G289 PolarHBondContact O-N 3.48Š| ||
| 288 | S | 45.7 | Very low | 58.1 | Low | 130 Ų | 130 | 117.1 Ų | 117.1 | 91% | 0.909 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -61.7 | 26.5 | 178.3 | 42.1 | 0 | 0 | 0 | 0 | 115.4 | ||
| 289 | G | 56.6 | Low | 60.9 | Low | 57 Ų | 57 | 114.8 Ų | 114.8 | 59% | 0.588 | 68% | 0.68 | S | S | * | * | trans | -118 | 69.9 | -165 | 0 | 0 | 0 | 0 | 0 | 113.6 | G287 V291 | G287-G289 PolarHBondContact O-N 3.48Å; G289-V291 PolarHBondContact O-N 2.77Å | ||
| 290 | W | 71.1 | Confident | 63.7 | Low | 173 Ų | 173 | 110.5 Ų | 110.5 | 66% | 0.655 | 65% | 0.647 | S | S | * | * | trans | -68.5 | -11.5 | 175.2 | -65 | 93.9 | 0 | 0 | 0 | 113.5 | W321 G322 M323 | W290-W321 HydrophobicContact CE3-CH2 4.44Å; W290-W321 AromaticContact CE3-CZ3 3.98Å; W290-W321 HydrophobicContact CE3-CZ3 3.98Å; W290-W321 HydrophobicContact CZ3-CH2 4.09Å; W290-W321 AromaticContact CZ3-CZ3 3.72Å; W290-W321 HydrophobicContact CZ3-CZ3 3.72Å; W290-G322 CarbonylContact O-C 3.58Å; W290-G322 WeakPolarHBondContact O-CA 3.4Å; W290-M323 PolarHBondContact O-N 3Å | ||
| 291 | V | 83.2 | Confident | 66.5 | Low | 101 Ų | 101 | 107.5 Ų | 107.5 | 61% | 0.612 | 62% | 0.623 | S | S | * | * | B | Isolated β-bridge | trans | -91.2 | 130 | -179.7 | 178.9 | 0 | 0 | 0 | 0 | 111.2 | G289 M323 | G289-V291 PolarHBondContact O-N 2.77Å; V291-M323 WeakPolarHBondContact CA-O 3.23Å |
| 292 | V | 83.8 | Confident | 69 | Low | 7 Ų | 7 | 106.2 Ų | 106.2 | 4% | 0.042 | 62% | 0.622 | C | S | . | * | P | Polyproline II helix | trans | -95.2 | 132 | 178.3 | -167.6 | 0 | 0 | 0 | 0 | 110.9 | V315 K320 M323 | V292-V315 HydrophobicContact CG1-CB 4.17Å; V292-V315 HydrophobicContact CG1-CG2 3.43Å; V292-V315 VanDerWaalsContact CG1-CG2 3.43Å; V292-K320 HydrophobicContact CG1-CB 4.18Å; V292-M323 PolarHBondContact N-O 3.07Å |
| 293 | T | 86.3 | Confident | 71.4 | Confident | 115 Ų | 115 | 98 Ų | 98 | 71% | 0.706 | 60% | 0.6 | S | S | * | * | P | Polyproline II helix | trans | -87.8 | 119.6 | 170.7 | -42.3 | 0 | 0 | 0 | 0 | 110.5 | ||
| 294 | F | 88.6 | Confident | 73.7 | Confident | 54 Ų | 54 | 94.3 Ų | 94.3 | 24% | 0.237 | 59% | 0.592 | C | S | . | * | trans | -120.9 | 160.9 | 174.4 | 59.4 | -82.1 | 0 | 0 | 0 | 110.2 | D298 I300 V315 L324 Y328 | F294-D298 HydrophobicContact CB-CB 4.39Å; F294-I300 HydrophobicContact CG-CD1 4.47Å; F294-V315 HydrophobicContact CB-CG2 3.87Å; F294-L324 HydrophobicContact CD1-CB 4.09Å; F294-L324 HydrophobicContact CE1-CB 3.7Å; F294-L324 HydrophobicContact CE1-CD1 4.47Å; F294-Y328 HydrophobicContact CZ-CG 4.36Å | ||
| 295 | K | 88.4 | Confident | 76.2 | Confident | 140 Ų | 140 | 92.1 Ų | 92.1 | 61% | 0.609 | 58% | 0.582 | S | S | * | * | trans | -118.8 | 161.9 | 175.2 | -63.5 | -175.7 | 178.5 | -173 | 0 | 109.9 | G297 D298 | K295-G297 PolarHBondContact O-N 3.37Å; K295-D298 PolarHBondContact N-OD2 3.37Å; K295-D298 VanDerWaalsContact O-CB 3.31Å; K295-D298 WeakPolarHBondContact O-CB 3.48Å; K295-D298 PolarHBondContact O-N 2.98Å | ||
| 296 | E | 86.6 | Confident | 78.4 | Confident | 204 Ų | 204 | 92.5 Ų | 92.5 | 95% | 0.953 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.4 | 127.6 | 172.8 | -168.9 | 171.4 | -174.3 | 0 | 0 | 110.3 | ||
| 297 | G | 86.7 | Confident | 80.8 | Confident | 77 Ų | 77 | 93.9 Ų | 93.9 | 79% | 0.794 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 88.5 | -2.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116 | K295 | K295-G297 PolarHBondContact O-N 3.37Š|
| 298 | D | 90 | Very high | 82.6 | Confident | 34 Ų | 34 | 99.9 Ų | 99.9 | 18% | 0.182 | 57% | 0.566 | C | S | . | * | trans | -72.2 | 127.9 | 173 | -79.3 | -20.1 | 0 | 0 | 0 | 110.8 | F294 K295 V315 R317 | F294-D298 HydrophobicContact CB-CB 4.39Å; K295-D298 PolarHBondContact N-OD2 3.37Å; K295-D298 VanDerWaalsContact O-CB 3.31Å; K295-D298 WeakPolarHBondContact O-CB 3.48Å; K295-D298 PolarHBondContact O-N 2.98Å; D298-V315 HydrophobicContact CB-CG1 4.18Å; D298-R317 VanDerWaalsContact CG-NE 3.34Å; D298-R317 VanDerWaalsContact OD1-CD 3.23Å; D298-R317 WeakPolarHBondContact OD1-CD 3.39Å; D298-R317 IonicContact OD1-CZ 2.65Å; D298-R317 IonicContact OD1-NE 3.95Å; D298-R317 PolarHBondContact OD1-NE 2.84Å; D298-R317 IonicContact OD2-CZ 3.71Å; D298-R317 IonicContact OD2-NE 3.14Å; D298-R317 PolarHBondContact OD2-NE 3.29Å; D298-R317 IonicContact OD2-NH2 2.82Å; D298-R317 PolarHBondContact OD2-NH2 3.26Å | ||
| 299 | L | 90.9 | Very high | 84.5 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 48% | 0.482 | 53% | 0.534 | S | S | . | . | trans | -79 | 131.5 | 172.1 | -70.2 | 169.1 | 0 | 0 | 0 | 110.8 | Q316 V332 | L299-Q316 HydrophobicContact CB-CB 4.28Å; L299-Q316 VanDerWaalsContact CD1-OE1 3.31Å; L299-Q316 VanDerWaalsContact O-CB 3.31Å; L299-Q316 WeakPolarHBondContact O-CB 3.48Å; L299-Q316 PolarHBondContact O-N 3.07Å; L299-V332 HydrophobicContact CD2-CG2 4.32Å | ||
| 300 | I | 90.9 | Very high | 86.1 | Confident | 28 Ų | 28 | 97.6 Ų | 97.6 | 14% | 0.144 | 53% | 0.526 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 124.5 | 177.5 | -50.6 | -173.7 | 0 | 0 | 0 | 108.7 | F294 C303 T314 V315 L324 V329 | F294-I300 HydrophobicContact CG-CD1 4.47Å; I300-C303 VanDerWaalsContact CG2-SG 3.59Å; I300-C303 PolarHBondContact O-SG 3.38Å; I300-T314 WeakPolarHBondContact CA-O 3.31Å; I300-V315 HydrophobicContact CG1-CG2 4.37Å; I300-L324 HydrophobicContact CD1-CD1 3.5Å; I300-L324 HydrophobicContact CD1-CD2 4.02Å; I300-L324 HydrophobicContact CD1-CG 4.39Å; I300-L324 HydrophobicContact CG2-CD2 4.26Å; I300-V329 HydrophobicContact CD1-CG1 4.48Å; I300-V329 HydrophobicContact CD1-CG2 3.86Å |
| 301 | V | 91 | Very high | 87 | Confident | 62 Ų | 62 | 90.7 Ų | 90.7 | 38% | 0.376 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 155.9 | 179.9 | -64.5 | 0 | 0 | 0 | 0 | 110.9 | T314 | V301-T314 PolarHBondContact N-O 3.02Å; V301-T314 PolarHBondContact O-N 3.44Å |
| 302 | N | 88.6 | Confident | 87.5 | Confident | 137 Ų | 137 | 86.5 Ų | 86.5 | 73% | 0.733 | 48% | 0.476 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 57.8 | 46.7 | -177.5 | -58.4 | -23.9 | 0 | 0 | 0 | 113.3 | Q304 | N302-Q304 PolarHBondContact O-N 3.11Å |
| 303 | C | 86.4 | Confident | 87.8 | Confident | 67 Ų | 67 | 86.1 Ų | 86.1 | 45% | 0.453 | 47% | 0.474 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.5 | 125.2 | -179.3 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | I300 M311 T312 | I300-C303 VanDerWaalsContact CG2-SG 3.59Å; I300-C303 PolarHBondContact O-SG 3.38Å; C303-M311 HydrophobicContact CB-SD 4.13Å; C303-T312 CarbonylContact C-O 3.51Å; C303-T312 VanDerWaalsContact CA-O 3.24Å; C303-T312 WeakPolarHBondContact CA-O 3.45Å |
| 304 | Q | 89.3 | Confident | 88.1 | Confident | 137 Ų | 137 | 82.1 Ų | 82.1 | 64% | 0.64 | 45% | 0.45 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 124.2 | 174.3 | -176.4 | 176.7 | 1.2 | 0 | 0 | 109.5 | N302 M311 T312 | N302-Q304 PolarHBondContact O-N 3.11Å; Q304-M311 CarbonylContact O-C 3.54Å; Q304-M311 VanDerWaalsContact O-CA 3.29Å; Q304-M311 WeakPolarHBondContact O-CA 3.22Å; Q304-M311 WeakPolarHBondContact O-CB 3.24Å; Q304-T312 PolarHBondContact N-O 2.89Å; Q304-T312 PolarHBondContact O-N 2.96Å; Q304-T312 PolarHBondContact O-OG1 3.46Å |
| 305 | A | 86.6 | Confident | 88.3 | Confident | 87 Ų | 87 | 79.5 Ų | 79.5 | 72% | 0.719 | 44% | 0.438 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 131.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||
| 306 | V | 82.7 | Confident | 88.3 | Confident | 85 Ų | 85 | 78.7 Ų | 78.7 | 52% | 0.515 | 44% | 0.436 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | -43.6 | 179.1 | -178.1 | 0 | 0 | 0 | 0 | 110.6 | W310 T312 M323 | V306-W310 PolarHBondContact N-O 2.93Å; V306-T312 HydrophobicContact CG2-CG2 3.72Å; V306-M323 HydrophobicContact CG1-CE 4.49Å |
| 307 | D | 82.6 | Confident | 88.4 | Confident | 117 Ų | 117 | 75 Ų | 75 | 63% | 0.626 | 41% | 0.414 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -155 | 176 | -178.9 | -158.3 | -1.8 | 0 | 0 | 0 | 111.1 | G309 W310 | D307-G309 VanDerWaalsContact C-N 3.32Å; D307-G309 PolarHBondContact O-N 3.19Å; D307-W310 PolarHBondContact N-O 2.92Å; D307-W310 PolarHBondContact O-N 2.96Å; D307-W310 VanDerWaalsContact O-N 3.1Å |
| 308 | Q | 77.7 | Confident | 88.4 | Confident | 194 Ų | 194 | 73.8 Ų | 73.8 | 91% | 0.907 | 39% | 0.391 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 87 | 176.2 | -64.1 | -169.1 | 24.9 | 0 | 0 | 111.4 | ||
| 309 | G | 85.7 | Confident | 88.3 | Confident | 23 Ų | 23 | 74.6 Ų | 74.6 | 24% | 0.237 | 41% | 0.408 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 117 | -1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.1 | D307 P325 A326 | D307-G309 VanDerWaalsContact C-N 3.32Å; D307-G309 PolarHBondContact O-N 3.19Å; G309-P325 CarbonylContact O-C 3.58Å; G309-P325 WeakPolarHBondContact O-CA 2.87Å; G309-A326 PolarHBondContact O-N 3.04Å |
| 310 | W | 90 | Very high | 88.1 | Confident | 115 Ų | 115 | 77 Ų | 77 | 44% | 0.436 | 41% | 0.414 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 139.1 | 179.4 | -68.5 | 93.2 | 0 | 0 | 0 | 112.3 | V306 D307 M323 P325 | V306-W310 PolarHBondContact N-O 2.93Å; D307-W310 PolarHBondContact N-O 2.92Å; D307-W310 PolarHBondContact O-N 2.96Å; D307-W310 VanDerWaalsContact O-N 3.1Å; W310-M323 HydrophobicContact CB-CE 4.47Å; W310-P325 HydrophobicContact CH2-CG 4.35Å; W310-P325 HydrophobicContact CZ3-CG 4.09Å |
| 311 | M | 91.5 | Very high | 88 | Confident | 28 Ų | 28 | 82.1 Ų | 82.1 | 14% | 0.138 | 43% | 0.432 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 158 | 171.6 | 71.6 | 169.9 | 73.8 | 0 | 0 | 111.3 | C303 Q304 M323 L324 A326 V329 | C303-M311 HydrophobicContact CB-SD 4.13Å; Q304-M311 CarbonylContact O-C 3.54Å; Q304-M311 VanDerWaalsContact O-CA 3.29Å; Q304-M311 WeakPolarHBondContact O-CA 3.22Å; Q304-M311 WeakPolarHBondContact O-CB 3.24Å; M311-M323 CarbonylContact O-C 3.57Å; M311-M323 WeakPolarHBondContact O-CA 3.28Å; M311-L324 HydrophobicContact CG-CD1 3.5Å; M311-L324 HydrophobicContact CG-CG 3.77Å; M311-L324 PolarHBondContact N-O 3.35Å; M311-L324 PolarHBondContact O-N 2.94Å; M311-L324 HydrophobicContact SD-CD1 3.81Å; M311-A326 HydrophobicContact CE-CB 3.68Å; M311-V329 HydrophobicContact CE-CB 3.78Å; M311-V329 HydrophobicContact CE-CG1 4.11Å; M311-V329 HydrophobicContact CE-CG2 4.13Å; M311-V329 HydrophobicContact SD-CB 4.15Å; M311-V329 HydrophobicContact SD-CG1 4.14Å; M311-V329 HydrophobicContact SD-CG2 4.02Å |
| 312 | T | 92.4 | Very high | 88 | Confident | 13 Ų | 13 | 79.2 Ų | 79.2 | 8% | 0.08 | 41% | 0.414 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 147.1 | 165.7 | 50.1 | 0 | 0 | 0 | 0 | 110.2 | C303 Q304 V306 W321 G322 M323 | C303-T312 CarbonylContact C-O 3.51Å; C303-T312 VanDerWaalsContact CA-O 3.24Å; C303-T312 WeakPolarHBondContact CA-O 3.45Å; Q304-T312 PolarHBondContact N-O 2.89Å; Q304-T312 PolarHBondContact O-N 2.96Å; Q304-T312 PolarHBondContact O-OG1 3.46Å; V306-T312 HydrophobicContact CG2-CG2 3.72Å; T312-W321 HydrophobicContact CG2-CZ2 4.04Å; T312-G322 CarbonylContact C-O 3.54Å; T312-G322 VanDerWaalsContact CA-O 3.22Å; T312-G322 WeakPolarHBondContact CA-O 3.39Å; T312-M323 HydrophobicContact CG2-CG 3.85Å |
| 313 | G | 91.7 | Very high | 88.1 | Confident | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -169.3 | 169.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | W321 G322 | G313-W321 WeakPolarHBondContact O-CA 3.27Å; G313-G322 PolarHBondContact N-O 2.83Å; G313-G322 PolarHBondContact O-N 3.1Å |
| 314 | T | 92.2 | Very high | 88.4 | Confident | 30 Ų | 30 | 72.3 Ų | 72.3 | 18% | 0.184 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 122.3 | 175.1 | -50.9 | 0 | 0 | 0 | 0 | 109.3 | I300 V301 Q316 K320 | I300-T314 WeakPolarHBondContact CA-O 3.31Å; V301-T314 PolarHBondContact N-O 3.02Å; V301-T314 PolarHBondContact O-N 3.44Å; T314-Q316 PolarHBondContact O-N 2.88Å; T314-K320 WeakPolarHBondContact CA-O 3.38Å |
| 315 | V | 91.9 | Very high | 88.4 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 117.7 | 175.7 | 171.3 | 0 | 0 | 0 | 0 | 109.3 | V292 F294 D298 I300 R317 T318 G319 K320 | V292-V315 HydrophobicContact CG1-CB 4.17Å; V292-V315 HydrophobicContact CG1-CG2 3.43Å; V292-V315 VanDerWaalsContact CG1-CG2 3.43Å; F294-V315 HydrophobicContact CB-CG2 3.87Å; D298-V315 HydrophobicContact CB-CG1 4.18Å; I300-V315 HydrophobicContact CG1-CG2 4.37Å; V315-R317 VanDerWaalsContact C-N 3.29Å; V315-R317 HydrophobicContact CG1-CB 4.2Å; V315-R317 PolarHBondContact O-N 3.14Å; V315-T318 WeakPolarHBondContact CB-OG1 3.34Å; V315-T318 WeakPolarHBondContact CG1-OG1 3.25Å; V315-T318 PolarHBondContact O-N 2.95Å; V315-G319 WeakPolarHBondContact O-CA 3.48Å; V315-G319 PolarHBondContact O-N 3.26Å; V315-K320 PolarHBondContact N-O 3.18Å |
| 316 | Q | 89.6 | Confident | 88.5 | Confident | 122 Ų | 122 | 64.7 Ų | 64.7 | 57% | 0.57 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -36.9 | -174.4 | -166.6 | 174.6 | 25.9 | 0 | 0 | 112.6 | L299 T314 T318 | L299-Q316 HydrophobicContact CB-CB 4.28Å; L299-Q316 VanDerWaalsContact CD1-OE1 3.31Å; L299-Q316 VanDerWaalsContact O-CB 3.31Å; L299-Q316 WeakPolarHBondContact O-CB 3.48Å; L299-Q316 PolarHBondContact O-N 3.07Å; T314-Q316 PolarHBondContact O-N 2.88Å; Q316-T318 PolarHBondContact O-N 3.32Å |
| 317 | R | 88.7 | Confident | 88.9 | Confident | 126 Ų | 126 | 67.6 Ų | 67.6 | 48% | 0.475 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -37.3 | 178.6 | -176 | -177.7 | 55.7 | 69.5 | 9.1 | 113.6 | D298 V315 | D298-R317 VanDerWaalsContact CG-NE 3.34Å; D298-R317 VanDerWaalsContact OD1-CD 3.23Å; D298-R317 WeakPolarHBondContact OD1-CD 3.39Å; D298-R317 IonicContact OD1-CZ 2.65Å; D298-R317 IonicContact OD1-NE 3.95Å; D298-R317 PolarHBondContact OD1-NE 2.84Å; D298-R317 IonicContact OD2-CZ 3.71Å; D298-R317 IonicContact OD2-NE 3.14Å; D298-R317 PolarHBondContact OD2-NE 3.29Å; D298-R317 IonicContact OD2-NH2 2.82Å; D298-R317 PolarHBondContact OD2-NH2 3.26Å; V315-R317 VanDerWaalsContact C-N 3.29Å; V315-R317 HydrophobicContact CG1-CB 4.2Å; V315-R317 PolarHBondContact O-N 3.14Å |
| 318 | T | 86.4 | Confident | 89.1 | Confident | 53 Ų | 53 | 70.5 Ų | 70.5 | 33% | 0.325 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.3 | -17.2 | -174.3 | 57 | 0 | 0 | 0 | 0 | 113.8 | V315 Q316 K320 | V315-T318 WeakPolarHBondContact CB-OG1 3.34Å; V315-T318 WeakPolarHBondContact CG1-OG1 3.25Å; V315-T318 PolarHBondContact O-N 2.95Å; Q316-T318 PolarHBondContact O-N 3.32Å; T318-K320 PolarHBondContact O-N 3.37Å; T318-K320 PolarHBondContact OG1-N 3.28Å |
| 319 | G | 88.5 | Confident | 89.6 | Confident | 51 Ų | 51 | 63.3 Ų | 63.3 | 53% | 0.526 | 31% | 0.314 | S | S | . | . | trans | 64.7 | 10 | -171.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | V315 | V315-G319 WeakPolarHBondContact O-CA 3.48Å; V315-G319 PolarHBondContact O-N 3.26Å | ||
| 320 | K | 86.1 | Confident | 89.8 | Confident | 141 Ų | 141 | 70.3 Ų | 70.3 | 61% | 0.613 | 34% | 0.341 | S | S | * | . | trans | -83.5 | 134.6 | 178.5 | -67.8 | -174.1 | 177.1 | -174.9 | 0 | 109.7 | V292 T314 V315 T318 | V292-K320 HydrophobicContact CG1-CB 4.18Å; T314-K320 WeakPolarHBondContact CA-O 3.38Å; V315-K320 PolarHBondContact N-O 3.18Å; T318-K320 PolarHBondContact O-N 3.37Å; T318-K320 PolarHBondContact OG1-N 3.28Å | ||
| 321 | W | 89.1 | Confident | 89.6 | Confident | 137 Ų | 137 | 75.4 Ų | 75.4 | 52% | 0.519 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 147.9 | 175.7 | 175.3 | 87.9 | 0 | 0 | 0 | 110.5 | W290 T312 G313 | W290-W321 HydrophobicContact CE3-CH2 4.44Å; W290-W321 AromaticContact CE3-CZ3 3.98Å; W290-W321 HydrophobicContact CE3-CZ3 3.98Å; W290-W321 HydrophobicContact CZ3-CH2 4.09Å; W290-W321 AromaticContact CZ3-CZ3 3.72Å; W290-W321 HydrophobicContact CZ3-CZ3 3.72Å; T312-W321 HydrophobicContact CG2-CZ2 4.04Å; G313-W321 WeakPolarHBondContact O-CA 3.27Å |
| 322 | G | 90.7 | Very high | 89.2 | Confident | 0 Ų | 0 | 79.9 Ų | 79.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 160.6 | -161.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | W290 T312 G313 | W290-G322 CarbonylContact O-C 3.58Å; W290-G322 WeakPolarHBondContact O-CA 3.4Å; T312-G322 CarbonylContact C-O 3.54Å; T312-G322 VanDerWaalsContact CA-O 3.22Å; T312-G322 WeakPolarHBondContact CA-O 3.39Å; G313-G322 PolarHBondContact N-O 2.83Å; G313-G322 PolarHBondContact O-N 3.1Å |
| 323 | M | 90.9 | Very high | 88.2 | Confident | 59 Ų | 59 | 90.7 Ų | 90.7 | 29% | 0.291 | 44% | 0.438 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 143.6 | -176.9 | -58.6 | -177.4 | 71.1 | 0 | 0 | 112.1 | W290 V291 V292 V306 W310 M311 T312 | W290-M323 PolarHBondContact O-N 3Å; V291-M323 WeakPolarHBondContact CA-O 3.23Å; V292-M323 PolarHBondContact N-O 3.07Å; V306-M323 HydrophobicContact CG1-CE 4.49Å; W310-M323 HydrophobicContact CB-CE 4.47Å; M311-M323 CarbonylContact O-C 3.57Å; M311-M323 WeakPolarHBondContact O-CA 3.28Å; T312-M323 HydrophobicContact CG2-CG 3.85Å |
| 324 | L | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 95.2 Ų | 95.2 | 0% | 0 | 46% | 0.46 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.4 | 152.5 | 176.4 | 54 | 119.1 | 0 | 0 | 0 | 110.8 | F294 I300 M311 V329 | F294-L324 HydrophobicContact CD1-CB 4.09Å; F294-L324 HydrophobicContact CE1-CB 3.7Å; F294-L324 HydrophobicContact CE1-CD1 4.47Å; I300-L324 HydrophobicContact CD1-CD1 3.5Å; I300-L324 HydrophobicContact CD1-CD2 4.02Å; I300-L324 HydrophobicContact CD1-CG 4.39Å; I300-L324 HydrophobicContact CG2-CD2 4.26Å; M311-L324 HydrophobicContact CG-CD1 3.5Å; M311-L324 HydrophobicContact CG-CG 3.77Å; M311-L324 PolarHBondContact N-O 3.35Å; M311-L324 PolarHBondContact O-N 2.94Å; M311-L324 HydrophobicContact SD-CD1 3.81Å; L324-V329 HydrophobicContact CD1-CG2 3.29Å |
| 325 | P | 90.4 | Very high | 87.8 | Confident | 36 Ų | 36 | 98.6 Ų | 98.6 | 23% | 0.234 | 47% | 0.474 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 132.5 | -178.7 | -5 | 20.7 | 0 | 0 | 0 | 110.6 | G309 W310 N327 Y328 | G309-P325 CarbonylContact O-C 3.58Å; G309-P325 WeakPolarHBondContact O-CA 2.87Å; W310-P325 HydrophobicContact CH2-CG 4.35Å; W310-P325 HydrophobicContact CZ3-CG 4.09Å; P325-N327 PolarHBondContact O-N 3.38Å; P325-Y328 HydrophobicContact CB-CD2 3.89Å; P325-Y328 HydrophobicContact CB-CE2 4.2Å; P325-Y328 HydrophobicContact CG-CD2 4.02Å; P325-Y328 HydrophobicContact CG-CE2 4.24Å; P325-Y328 PolarHBondContact O-N 3.34Å |
| 326 | A | 89.3 | Confident | 87.5 | Confident | 29 Ų | 29 | 104.1 Ų | 104.1 | 24% | 0.24 | 50% | 0.5 | C | S | . | . | G | 310 helix | trans | -67.5 | -23.3 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | G309 M311 Y328 V329 | G309-A326 PolarHBondContact O-N 3.04Å; M311-A326 HydrophobicContact CE-CB 3.68Å; A326-Y328 PolarHBondContact O-N 2.92Å; A326-V329 PolarHBondContact O-N 2.94Å |
| 327 | N | 90.2 | Very high | 87.4 | Confident | 145 Ų | 145 | 103.1 Ų | 103.1 | 78% | 0.775 | 50% | 0.496 | S | S | * | . | G | 310 helix | trans | -68.2 | -14.1 | -178 | -67.9 | -9.4 | 0 | 0 | 0 | 114.4 | P325 | P325-N327 PolarHBondContact O-N 3.38Š|
| 328 | Y | 87.9 | Confident | 87.3 | Confident | 178 Ų | 178 | 101.6 Ų | 101.6 | 70% | 0.698 | 50% | 0.498 | S | S | * | . | G | 310 helix | trans | -105.8 | 10.8 | -179.7 | -61.7 | -81.3 | 0 | 0 | 0 | 113 | F294 P325 A326 | F294-Y328 HydrophobicContact CZ-CG 4.36Å; P325-Y328 HydrophobicContact CB-CD2 3.89Å; P325-Y328 HydrophobicContact CB-CE2 4.2Å; P325-Y328 HydrophobicContact CG-CD2 4.02Å; P325-Y328 HydrophobicContact CG-CE2 4.24Å; P325-Y328 PolarHBondContact O-N 3.34Å; A326-Y328 PolarHBondContact O-N 2.92Å |
| 329 | V | 87.6 | Confident | 87.4 | Confident | 43 Ų | 43 | 104.9 Ų | 104.9 | 26% | 0.261 | 51% | 0.509 | S | S | . | . | trans | -123.5 | 125.1 | -178.2 | -173.6 | 0 | 0 | 0 | 0 | 109.4 | I300 M311 L324 A326 | I300-V329 HydrophobicContact CD1-CG1 4.48Å; I300-V329 HydrophobicContact CD1-CG2 3.86Å; M311-V329 HydrophobicContact CE-CB 3.78Å; M311-V329 HydrophobicContact CE-CG1 4.11Å; M311-V329 HydrophobicContact CE-CG2 4.13Å; M311-V329 HydrophobicContact SD-CB 4.15Å; M311-V329 HydrophobicContact SD-CG1 4.14Å; M311-V329 HydrophobicContact SD-CG2 4.02Å; L324-V329 HydrophobicContact CD1-CG2 3.29Å; A326-V329 PolarHBondContact O-N 2.94Å | ||
| 330 | E | 88.8 | Confident | 87.3 | Confident | 171 Ų | 171 | 108.7 Ų | 108.7 | 80% | 0.799 | 51% | 0.508 | S | S | * | . | trans | -103.5 | 145.6 | 174 | -171.2 | 173.2 | -174 | 0 | 0 | 110.1 | V332 | E330-V332 PolarHBondContact O-N 3.48Š| ||
| 331 | R | 87 | Confident | 87.4 | Confident | 222 Ų | 222 | 106.2 Ų | 106.2 | 84% | 0.838 | 50% | 0.5 | S | S | * | . | trans | -76.5 | 113.7 | 174.1 | -76.5 | -174.8 | -179.1 | 177.1 | 0.9 | 109.6 | ||||
| 332 | V | 82.1 | Confident | 87.3 | Confident | 121 Ų | 121 | 103.7 Ų | 103.7 | 73% | 0.733 | 50% | 0.498 | S | S | * | . | trans | -83.4 | 118.3 | 168.9 | -168.5 | 0 | 0 | 0 | 0 | 107.7 | L299 E330 | L299-V332 HydrophobicContact CD2-CG2 4.32Å; E330-V332 PolarHBondContact O-N 3.48Å | ||
| 333 | H | 71.4 | Confident | 87 | Confident | 240 Ų | 240 | 113.1 Ų | 113.1 | 100% | 1.111 | 54% | 0.544 | S | S | * | . | trans | -85.3 | 0 | 172.7 | -76 | 94.8 | 0 | 0 | 0 | 110.9 |
Retrieved 333 of 333 residues in 44.9 ms
(Link to these results)