| 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 | 36.1 | Very low | 37.6 | Very low | 225 Ų | 225 | 172 Ų | 172 | 100% | 1.108 | 86% | 0.857 | S | S | * | * | 0 | 108.8 | 0 | -76.9 | 65 | 172.3 | 0 | 0 | 109.3 | |||||
| 2 | N | 31.2 | Very low | 38.8 | Very low | 172 Ų | 172 | 172.5 Ų | 172.5 | 92% | 0.92 | 84% | 0.842 | S | S | * | * | trans | -101.7 | 107.4 | 173.8 | -70.5 | -5 | 0 | 0 | 0 | 108.9 | ||||
| 3 | R | 38.3 | Very low | 39.3 | Very low | 239 Ų | 239 | 171.8 Ų | 171.8 | 90% | 0.902 | 83% | 0.832 | S | S | * | * | trans | -85 | 112.3 | 172.8 | -77.7 | -173.6 | 173.9 | -176.9 | -1.1 | 109.2 | ||||
| 4 | S | 33.4 | Very low | 39.5 | Very low | 97 Ų | 97 | 173.9 Ų | 173.9 | 68% | 0.678 | 83% | 0.829 | S | S | * | * | trans | -64.6 | 129.4 | 173 | -177.6 | 0 | 0 | 0 | 0 | 110.7 | H6 | S4-H6 PolarHBondContact O-N 3.47Š| ||
| 5 | F | 40.7 | Very low | 40.2 | Very low | 198 Ų | 198 | 171.5 Ų | 171.5 | 87% | 0.868 | 82% | 0.823 | S | S | * | * | trans | -76.4 | 107.4 | 164.4 | -80.7 | -92.5 | 0 | 0 | 0 | 108.6 | K7 | F5-K7 PolarHBondContact O-N 3.42Š| ||
| 6 | H | 34.8 | Very low | 41.1 | Very low | 172 Ų | 172 | 166.3 Ų | 166.3 | 80% | 0.796 | 81% | 0.809 | S | S | * | * | trans | -63.6 | 101.9 | 167.8 | -80.7 | -82.6 | 0 | 0 | 0 | 109.6 | S4 S8 | S4-H6 PolarHBondContact O-N 3.47Å; H6-S8 PolarHBondContact O-N 3.11Å | ||
| 7 | K | 36.9 | Very low | 43.2 | Very low | 197 Ų | 197 | 160.4 Ų | 160.4 | 86% | 0.857 | 79% | 0.789 | S | S | * | * | trans | -61.5 | 103.9 | 154.1 | -77.6 | 178.3 | 175.5 | 175 | 0 | 106.8 | F5 Q9 | F5-K7 PolarHBondContact O-N 3.42Å; K7-Q9 PolarHBondContact O-N 3.04Å | ||
| 8 | S | 41.4 | Very low | 45.5 | Very low | 116 Ų | 116 | 154.5 Ų | 154.5 | 81% | 0.811 | 77% | 0.77 | S | S | * | * | trans | -55.8 | 114.6 | 172.9 | -62.4 | 0 | 0 | 0 | 0 | 109.1 | H6 | H6-S8 PolarHBondContact O-N 3.11Š| ||
| 9 | Q | 36 | Very low | 48 | Very low | 184 Ų | 184 | 146.4 Ų | 146.4 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | -66.4 | 132.7 | -172.2 | -163.1 | 169.3 | 15 | 0 | 0 | 109.3 | K7 L11 | K7-Q9 PolarHBondContact O-N 3.04Å; Q9-L11 PolarHBondContact O-N 2.97Å | ||
| 10 | T | 43 | Very low | 50.3 | Low | 114 Ų | 114 | 143.9 Ų | 143.9 | 70% | 0.699 | 72% | 0.715 | S | S | * | * | trans | -63.1 | 104.4 | -177.8 | -48.3 | 0 | 0 | 0 | 0 | 110.4 | R12 | T10-R12 HydrophobicContact CG2-CG 3.89Å; T10-R12 PolarHBondContact O-N 2.97Å; T10-R12 VanDerWaalsContact O-N 3.08Å | ||
| 11 | L | 41.6 | Very low | 52.4 | Low | 178 Ų | 178 | 137 Ų | 137 | 93% | 0.932 | 68% | 0.681 | S | S | * | * | trans | -61.7 | 110 | 161.9 | -79.3 | 171.1 | 0 | 0 | 0 | 107.7 | Q9 | Q9-L11 PolarHBondContact O-N 2.97Š| ||
| 12 | R | 51.9 | Low | 55.3 | Low | 178 Ų | 178 | 130 Ų | 130 | 67% | 0.672 | 65% | 0.645 | S | S | * | * | trans | -109.4 | 148.5 | 170.7 | -70.3 | -167.4 | 172.9 | -161.6 | 0.3 | 109.2 | T10 | T10-R12 HydrophobicContact CG2-CG 3.89Å; T10-R12 PolarHBondContact O-N 2.97Å; T10-R12 VanDerWaalsContact O-N 3.08Å | ||
| 13 | F | 45.2 | Very low | 58.4 | Low | 163 Ų | 163 | 121.9 Ų | 121.9 | 72% | 0.715 | 60% | 0.601 | S | S | * | * | trans | 68.2 | 129 | 176.4 | -47.2 | -80.9 | 0 | 0 | 0 | 112.3 | ||||
| 14 | Y | 41.9 | Very low | 61.2 | Low | 202 Ų | 202 | 113.8 Ų | 113.8 | 79% | 0.792 | 57% | 0.572 | S | S | * | * | S | Bend | cis | -134.6 | 165.2 | 22.9 | -75 | -105.2 | 0 | 0 | 0 | 112.5 | C16 | Y14-C16 PolarHBondContact O-N 3.31Š|
| 15 | D | 50.3 | Low | 64 | Low | 137 Ų | 137 | 111 Ų | 111 | 73% | 0.733 | 55% | 0.548 | S | S | * | . | trans | 45.2 | 53.4 | 157.4 | -56 | -23.4 | 0 | 0 | 0 | 118.9 | S17 | D15-S17 PolarHBondContact O-N 3.21Š| ||
| 16 | C | 55.6 | Low | 66.3 | Low | 89 Ų | 89 | 104.4 Ų | 104.4 | 60% | 0.601 | 54% | 0.535 | S | S | * | . | trans | -68 | 98.4 | 153.6 | -66.1 | 0 | 0 | 0 | 0 | 109.2 | Y14 A18 | Y14-C16 PolarHBondContact O-N 3.31Å; C16-A18 PolarHBondContact O-N 2.95Å | ||
| 17 | S | 75.9 | Confident | 68.9 | Low | 66 Ų | 66 | 100.7 Ų | 100.7 | 46% | 0.462 | 53% | 0.534 | S | S | . | . | trans | -60.3 | -21.6 | 168.9 | 58.7 | 0 | 0 | 0 | 0 | 112.6 | D15 D35 R36 | D15-S17 PolarHBondContact O-N 3.21Å; S17-D35 CarbonylContact O-C 3.59Å; S17-D35 WeakPolarHBondContact O-CA 3.4Å; S17-R36 WeakPolarHBondContact O-CB 3.24Å; S17-R36 PolarHBondContact O-N 3.07Å | ||
| 18 | A | 85.1 | Confident | 71.6 | Confident | 54 Ų | 54 | 94.8 Ų | 94.8 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 128.8 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | C16 L34 | C16-A18 PolarHBondContact O-N 2.95Å; A18-L34 CarbonylContact C-O 3.58Å; A18-L34 WeakPolarHBondContact CA-O 3.31Å |
| 19 | V | 91.8 | Very high | 74.1 | Confident | 1 Ų | 1 | 94.5 Ų | 94.5 | 1% | 0.006 | 49% | 0.494 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 126.2 | 165.8 | -178.7 | 0 | 0 | 0 | 0 | 108.7 | S33 L34 R36 V84 A87 L91 | V19-S33 WeakPolarHBondContact O-CA 3.47Å; V19-L34 PolarHBondContact N-O 2.83Å; V19-L34 PolarHBondContact O-N 3.48Å; V19-R36 HydrophobicContact CG2-CB 3.94Å; V19-V84 HydrophobicContact CB-CG1 4.28Å; V19-V84 HydrophobicContact CG2-CG1 3.73Å; V19-A87 HydrophobicContact CG1-CB 3.73Å; V19-L91 HydrophobicContact CG1-CB 3.94Å |
| 20 | E | 94 | Very high | 77 | Confident | 95 Ų | 95 | 89.6 Ų | 89.6 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.1 | 133.9 | 170.5 | -71.1 | -167.8 | -177.8 | 0 | 0 | 110.6 | R31 L90 L91 | E20-R31 IonicContact OE2-CZ 2.68Å; E20-R31 IonicContact OE2-NH2 3.89Å; E20-R31 PolarHBondContact OE2-NH2 2.99Å; E20-L90 HydrophobicContact CB-CD1 3.69Å; E20-L90 CarbonylContact O-C 3.57Å; E20-L90 WeakPolarHBondContact O-CA 3.3Å; E20-L91 PolarHBondContact O-N 3.34Å |
| 21 | V | 95.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 92 Ų | 92 | 0% | 0 | 46% | 0.464 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.1 | 127.9 | 173.2 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | R31 F32 L34 L91 V93 | V21-R31 VanDerWaalsContact O-CA 3.24Å; V21-R31 WeakPolarHBondContact O-CA 3.35Å; V21-F32 WeakPolarHBondContact CA-O 3.37Å; V21-F32 HydrophobicContact CB-CD2 3.98Å; V21-F32 HydrophobicContact CB-CE1 4.39Å; V21-F32 HydrophobicContact CB-CE2 3.79Å; V21-F32 HydrophobicContact CB-CG 4.37Å; V21-F32 HydrophobicContact CB-CZ 4.02Å; V21-F32 WeakPolarHBondContact CB-O 3.41Å; V21-F32 HydrophobicContact CG1-CE1 4.17Å; V21-F32 HydrophobicContact CG1-CE2 3.97Å; V21-F32 HydrophobicContact CG1-CZ 3.74Å; V21-F32 HydrophobicContact CG2-CD2 3.99Å; V21-F32 HydrophobicContact CG2-CE2 3.74Å; V21-F32 HydrophobicContact CG2-CZ 4.37Å; V21-F32 PolarHBondContact N-O 3.07Å; V21-F32 PolarHBondContact O-N 2.99Å; V21-L34 HydrophobicContact CG2-CB 4.44Å; V21-L34 HydrophobicContact CG2-CD1 3.68Å; V21-L34 HydrophobicContact CG2-CG 3.74Å; V21-L91 CarbonylContact C-O 3.51Å; V21-L91 WeakPolarHBondContact CA-O 3.48Å; V21-L91 HydrophobicContact CG2-CB 4.4Å; V21-L91 HydrophobicContact CG2-CD2 4.37Å; V21-V93 HydrophobicContact CG1-CB 4.35Å; V21-V93 HydrophobicContact CG1-CG2 3.61Å |
| 22 | K | 96.2 | Very high | 81.9 | Confident | 79 Ų | 79 | 85.3 Ų | 85.3 | 34% | 0.343 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | 104.1 | 163.5 | 178.2 | 174.5 | 179.6 | 176.3 | 0 | 108.2 | F29 R31 L90 L91 V93 | K22-F29 HydrophobicContact CD-CD1 4.37Å; K22-F29 HydrophobicContact CG-CD1 4.23Å; K22-R31 HydrophobicContact CB-CG 4.39Å; K22-R31 HydrophobicContact CG-CG 4.48Å; K22-L90 HydrophobicContact CB-CD1 3.91Å; K22-L90 HydrophobicContact CB-CD2 4.05Å; K22-L90 HydrophobicContact CB-CG 4.21Å; K22-L90 HydrophobicContact CD-CD2 4.43Å; K22-L91 PolarHBondContact N-O 3.02Å; K22-V93 PolarHBondContact O-N 2.82Å |
| 23 | S | 96.7 | Very high | 83.8 | Confident | 0 Ų | 0 | 80.7 Ų | 80.7 | 0% | 0 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102 | 129.1 | -175.6 | -175.8 | 0 | 0 | 0 | 0 | 110.8 | F29 R30 H53 V93 I95 | S23-F29 CarbonylContact O-C 3.53Å; S23-F29 WeakPolarHBondContact O-CA 3.29Å; S23-R30 PolarHBondContact N-O 2.84Å; S23-R30 PolarHBondContact O-N 3.45Å; S23-H53 WeakPolarHBondContact CB-NE2 3.2Å; S23-H53 PolarHBondContact O-CE1 3.05Å; S23-H53 PolarHBondContact OG-NE2 2.82Å; S23-V93 CarbonylContact C-O 3.54Å; S23-V93 WeakPolarHBondContact CA-O 3.35Å; S23-I95 VanDerWaalsContact OG-CD1 3.25Å; S23-I95 WeakPolarHBondContact OG-CD1 3.39Å |
| 24 | K | 96.1 | Very high | 86.1 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 30% | 0.3 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 129.8 | -175.4 | -172.6 | -167 | -178.3 | -156.7 | 0 | 111.2 | G26 E28 F29 V93 F94 I95 | K24-G26 WeakPolarHBondContact CE-O 3.37Å; K24-G26 PolarHBondContact NZ-O 2.83Å; K24-E28 WeakPolarHBondContact CA-O 3.26Å; K24-E28 WeakPolarHBondContact CG-O 3.28Å; K24-F29 HydrophobicContact CB-CD1 3.78Å; K24-F29 HydrophobicContact CB-CE1 3.74Å; K24-F29 HydrophobicContact CD-CD1 4.38Å; K24-F29 HydrophobicContact CD-CE1 3.56Å; K24-F29 HydrophobicContact CD-CZ 3.66Å; K24-F29 HydrophobicContact CG-CD1 3.76Å; K24-F29 HydrophobicContact CG-CE1 3.44Å; K24-F29 VanDerWaalsContact CG-CE1 3.44Å; K24-F29 HydrophobicContact CG-CE2 4.41Å; K24-F29 HydrophobicContact CG-CG 4.41Å; K24-F29 HydrophobicContact CG-CZ 3.82Å; K24-V93 PolarHBondContact N-O 3.36Å; K24-F94 HydrophobicContact CB-CD1 4.37Å; K24-F94 HydrophobicContact CD-CD1 4.05Å; K24-F94 HydrophobicContact CD-CE1 4.12Å; K24-I95 PolarHBondContact O-N 3.31Å |
| 25 | F | 93.6 | Very high | 88.3 | Confident | 40 Ų | 40 | 67.8 Ų | 67.8 | 18% | 0.175 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 118.9 | 171.9 | -178.9 | -125.4 | 0 | 0 | 0 | 109.3 | A27 E28 H53 I55 I95 K97 | F25-A27 PolarHBondContact O-N 3.36Å; F25-E28 PolarHBondContact N-O 2.78Å; F25-E28 WeakPolarHBondContact O-CA 3.39Å; F25-E28 WeakPolarHBondContact O-CB 3.39Å; F25-E28 PolarHBondContact O-N 3.26Å; F25-H53 HydrophobicContact CB-CB 4.46Å; F25-H53 HydrophobicContact CD1-CB 4.42Å; F25-I55 HydrophobicContact CD1-CD1 3.98Å; F25-I55 HydrophobicContact CD1-CG1 4.09Å; F25-I55 HydrophobicContact CD2-CD1 4.02Å; F25-I55 HydrophobicContact CE1-CD1 3.95Å; F25-I55 HydrophobicContact CE1-CG1 3.84Å; F25-I55 HydrophobicContact CE2-CD1 3.99Å; F25-I55 HydrophobicContact CG-CD1 4.01Å; F25-I55 HydrophobicContact CZ-CD1 3.95Å; F25-I55 HydrophobicContact CZ-CG1 4.16Å; F25-I55 HydrophobicContact CZ-CG2 4.41Å; F25-I95 HydrophobicContact CB-CB 4.23Å; F25-I95 HydrophobicContact CB-CD1 4.14Å; F25-I95 HydrophobicContact CD2-CB 3.85Å; F25-I95 HydrophobicContact CD2-CG2 3.64Å; F25-I95 HydrophobicContact CE2-CG2 4.16Å; F25-I95 HydrophobicContact CG-CB 4.45Å; F25-I95 HydrophobicContact CG-CG2 4.45Å; F25-K97 HydrophobicContact CE2-CG 4.01Å; F25-K97 HydrophobicContact CZ-CG 4.02Å |
| 26 | G | 88.6 | Confident | 90 | Very high | 58 Ų | 58 | 64.7 Ų | 64.7 | 60% | 0.598 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.3 | -110.2 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | K24 | K24-G26 WeakPolarHBondContact CE-O 3.37Å; K24-G26 PolarHBondContact NZ-O 2.83Å |
| 27 | A | 89.5 | Confident | 91.4 | Very high | 94 Ų | 94 | 66.8 Ų | 66.8 | 78% | 0.777 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -99.7 | -11 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | F25 | F25-A27 PolarHBondContact O-N 3.36Š|
| 28 | E | 93.1 | Very high | 91.8 | Very high | 73 Ų | 73 | 71.9 Ų | 71.9 | 34% | 0.341 | 37% | 0.367 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 148.9 | -174.5 | -173.4 | 171.6 | -173.9 | 0 | 0 | 112.2 | K24 F25 R30 | K24-E28 WeakPolarHBondContact CA-O 3.26Å; K24-E28 WeakPolarHBondContact CG-O 3.28Å; F25-E28 PolarHBondContact N-O 2.78Å; F25-E28 WeakPolarHBondContact O-CA 3.39Å; F25-E28 WeakPolarHBondContact O-CB 3.39Å; F25-E28 PolarHBondContact O-N 3.26Å; E28-R30 HydrophobicContact CG-CG 4.47Å; E28-R30 IonicContact OE1-CZ 3.68Å; E28-R30 IonicContact OE1-NE 3.84Å; E28-R30 PolarHBondContact OE1-NE 2.75Å; E28-R30 IonicContact OE1-NH2 2.62Å; E28-R30 PolarHBondContact OE1-NH2 2.96Å |
| 29 | F | 94.6 | Very high | 91.8 | Very high | 110 Ų | 110 | 70.6 Ų | 70.6 | 48% | 0.482 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 131.6 | 174.6 | -66.7 | -88.5 | 0 | 0 | 0 | 110.6 | K22 S23 K24 | K22-F29 HydrophobicContact CD-CD1 4.37Å; K22-F29 HydrophobicContact CG-CD1 4.23Å; S23-F29 CarbonylContact O-C 3.53Å; S23-F29 WeakPolarHBondContact O-CA 3.29Å; K24-F29 HydrophobicContact CB-CD1 3.78Å; K24-F29 HydrophobicContact CB-CE1 3.74Å; K24-F29 HydrophobicContact CD-CD1 4.38Å; K24-F29 HydrophobicContact CD-CE1 3.56Å; K24-F29 HydrophobicContact CD-CZ 3.66Å; K24-F29 HydrophobicContact CG-CD1 3.76Å; K24-F29 HydrophobicContact CG-CE1 3.44Å; K24-F29 VanDerWaalsContact CG-CE1 3.44Å; K24-F29 HydrophobicContact CG-CE2 4.41Å; K24-F29 HydrophobicContact CG-CG 4.41Å; K24-F29 HydrophobicContact CG-CZ 3.82Å |
| 30 | R | 95.7 | Very high | 91.6 | Very high | 81 Ų | 81 | 72.6 Ų | 72.6 | 31% | 0.306 | 38% | 0.375 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 149.9 | 173.5 | -63.2 | -172.6 | 175.3 | -119.9 | -4.5 | 110.1 | S23 E28 T52 H54 | S23-R30 PolarHBondContact N-O 2.84Å; S23-R30 PolarHBondContact O-N 3.45Å; E28-R30 HydrophobicContact CG-CG 4.47Å; E28-R30 IonicContact OE1-CZ 3.68Å; E28-R30 IonicContact OE1-NE 3.84Å; E28-R30 PolarHBondContact OE1-NE 2.75Å; E28-R30 IonicContact OE1-NH2 2.62Å; E28-R30 PolarHBondContact OE1-NH2 2.96Å; R30-T52 HydrophobicContact CB-CG2 3.83Å; R30-T52 VanDerWaalsContact CD-CG2 3.5Å; R30-T52 WeakPolarHBondContact CD-O 3.23Å; R30-T52 HydrophobicContact CG-CG2 4.27Å; R30-T52 PolarHBondContact NE-O 2.95Å; R30-T52 PolarHBondContact NH1-O 3.07Å; R30-H54 PolarHBondContact NH1-CE1 2.72Å |
| 31 | R | 94.5 | Very high | 91.5 | Very high | 165 Ų | 165 | 73.9 Ų | 73.9 | 62% | 0.623 | 38% | 0.379 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 138.5 | 178.7 | -66.2 | 177.3 | 82.2 | 163.8 | 1.2 | 110.2 | E20 V21 K22 | E20-R31 IonicContact OE2-CZ 2.68Å; E20-R31 IonicContact OE2-NH2 3.89Å; E20-R31 PolarHBondContact OE2-NH2 2.99Å; V21-R31 VanDerWaalsContact O-CA 3.24Å; V21-R31 WeakPolarHBondContact O-CA 3.35Å; K22-R31 HydrophobicContact CB-CG 4.39Å; K22-R31 HydrophobicContact CG-CG 4.48Å |
| 32 | F | 94.3 | Very high | 91.3 | Very high | 38 Ų | 38 | 75.3 Ų | 75.3 | 17% | 0.167 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.3 | 170.3 | 175 | 55.4 | -92 | 0 | 0 | 0 | 108.3 | V21 L34 F45 L48 V49 T52 | V21-F32 WeakPolarHBondContact CA-O 3.37Å; V21-F32 HydrophobicContact CB-CD2 3.98Å; V21-F32 HydrophobicContact CB-CE1 4.39Å; V21-F32 HydrophobicContact CB-CE2 3.79Å; V21-F32 HydrophobicContact CB-CG 4.37Å; V21-F32 HydrophobicContact CB-CZ 4.02Å; V21-F32 WeakPolarHBondContact CB-O 3.41Å; V21-F32 HydrophobicContact CG1-CE1 4.17Å; V21-F32 HydrophobicContact CG1-CE2 3.97Å; V21-F32 HydrophobicContact CG1-CZ 3.74Å; V21-F32 HydrophobicContact CG2-CD2 3.99Å; V21-F32 HydrophobicContact CG2-CE2 3.74Å; V21-F32 HydrophobicContact CG2-CZ 4.37Å; V21-F32 PolarHBondContact N-O 3.07Å; V21-F32 PolarHBondContact O-N 2.99Å; F32-L34 HydrophobicContact CD2-CD2 4.41Å; F32-L34 HydrophobicContact CD2-CG 4.41Å; F32-L34 HydrophobicContact CE2-CD1 4.5Å; F32-L34 HydrophobicContact CE2-CD2 4.16Å; F32-L34 HydrophobicContact CE2-CG 4.17Å; F32-F45 HydrophobicContact CE2-CD2 4.4Å; F32-F45 AromaticContact CE2-CE2 3.85Å; F32-F45 HydrophobicContact CE2-CE2 3.85Å; F32-F45 AromaticContact CZ-CE2 3.8Å; F32-F45 HydrophobicContact CZ-CE2 3.8Å; F32-L48 HydrophobicContact CD2-CD2 4.05Å; F32-L48 HydrophobicContact CE2-CD2 3.84Å; F32-L48 HydrophobicContact CZ-CD2 4.45Å; F32-V49 HydrophobicContact CZ-CG2 4.1Å; F32-T52 HydrophobicContact CD1-CG2 4.22Å; F32-T52 HydrophobicContact CE1-CG2 4.4Å |
| 33 | S | 92.2 | Very high | 91.1 | Very high | 80 Ų | 80 | 76 Ų | 76 | 56% | 0.559 | 39% | 0.39 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 153.3 | 176.2 | 45.3 | 0 | 0 | 0 | 0 | 111.4 | V19 | V19-S33 WeakPolarHBondContact O-CA 3.47Å |
| 34 | L | 91.7 | Very high | 90.9 | Very high | 21 Ų | 21 | 80.1 Ų | 80.1 | 11% | 0.11 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 153.3 | 169.8 | -67.5 | 175.3 | 0 | 0 | 0 | 109.7 | A18 V19 V21 F32 F45 L48 F80 V84 | A18-L34 CarbonylContact C-O 3.58Å; A18-L34 WeakPolarHBondContact CA-O 3.31Å; V19-L34 PolarHBondContact N-O 2.83Å; V19-L34 PolarHBondContact O-N 3.48Å; V21-L34 HydrophobicContact CG2-CB 4.44Å; V21-L34 HydrophobicContact CG2-CD1 3.68Å; V21-L34 HydrophobicContact CG2-CG 3.74Å; F32-L34 HydrophobicContact CD2-CD2 4.41Å; F32-L34 HydrophobicContact CD2-CG 4.41Å; F32-L34 HydrophobicContact CE2-CD1 4.5Å; F32-L34 HydrophobicContact CE2-CD2 4.16Å; F32-L34 HydrophobicContact CE2-CG 4.17Å; L34-F45 HydrophobicContact CD1-CD2 3.94Å; L34-F45 HydrophobicContact CD1-CE2 3.83Å; L34-F45 HydrophobicContact CD2-CD2 4.32Å; L34-L48 HydrophobicContact CD2-CD2 4.23Å; L34-F80 HydrophobicContact CD1-CE2 3.85Å; L34-F80 HydrophobicContact CD1-CZ 3.98Å; L34-V84 HydrophobicContact CD1-CG2 3.92Å |
| 35 | D | 88.3 | Confident | 90.8 | Very high | 74 Ų | 74 | 77.1 Ų | 77.1 | 40% | 0.396 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 132.4 | 168.6 | -169.1 | -46.5 | 0 | 0 | 0 | 109.9 | S17 H37 K38 P39 | S17-D35 CarbonylContact O-C 3.59Å; S17-D35 WeakPolarHBondContact O-CA 3.4Å; D35-H37 WeakPolarHBondContact OD1-CA 3.29Å; D35-H37 PolarHBondContact OD1-N 3.32Å; D35-K38 PolarHBondContact OD1-N 2.98Å; D35-P39 VanDerWaalsContact O-CA 3.23Å; D35-P39 WeakPolarHBondContact O-CA 3.33Å; D35-P39 WeakPolarHBondContact O-CB 3.37Å |
| 36 | R | 86.9 | Confident | 90.8 | Very high | 71 Ų | 71 | 77.6 Ų | 77.6 | 27% | 0.268 | 40% | 0.4 | S | S | . | . | S | Bend | trans | -72.4 | -40.7 | 177.8 | 169.3 | 154.7 | -77.5 | -178.3 | -7.3 | 112.9 | S17 V19 V84 A87 | S17-R36 WeakPolarHBondContact O-CB 3.24Å; S17-R36 PolarHBondContact O-N 3.07Å; V19-R36 HydrophobicContact CG2-CB 3.94Å; R36-V84 PolarHBondContact NH2-O 2.97Å; R36-A87 PolarHBondContact NH2-O 3.39Å |
| 37 | H | 84.1 | Confident | 91 | Very high | 134 Ų | 134 | 80 Ų | 80 | 62% | 0.62 | 39% | 0.394 | S | S | * | . | S | Bend | trans | -88.4 | -24.1 | -173.8 | -55.3 | -76.8 | 0 | 0 | 0 | 111.4 | D35 | D35-H37 WeakPolarHBondContact OD1-CA 3.29Å; D35-H37 PolarHBondContact OD1-N 3.32Å |
| 38 | K | 85.1 | Confident | 91.2 | Very high | 172 Ų | 172 | 78.6 Ų | 78.6 | 75% | 0.748 | 37% | 0.373 | S | S | * | . | trans | -138.5 | 66.3 | 176.9 | -162.1 | 177 | -179.4 | 178.9 | 0 | 112.5 | D35 G40 | D35-K38 PolarHBondContact OD1-N 2.98Å; K38-G40 PolarHBondContact O-N 2.6Å; K38-G40 VanDerWaalsContact O-N 3.17Å | ||
| 39 | P | 84.3 | Confident | 91.2 | Very high | 28 Ų | 28 | 75.1 Ų | 75.1 | 18% | 0.182 | 36% | 0.357 | C | S | . | . | trans | -65.9 | -17.4 | -175.6 | 25.6 | -35 | 0 | 0 | 0 | 115.1 | D35 F80 V84 | D35-P39 VanDerWaalsContact O-CA 3.23Å; D35-P39 WeakPolarHBondContact O-CA 3.33Å; D35-P39 WeakPolarHBondContact O-CB 3.37Å; P39-F80 HydrophobicContact CB-CE1 3.77Å; P39-F80 HydrophobicContact CB-CZ 3.95Å; P39-F80 WeakPolarHBondContact O-CE1 3.2Å; P39-V84 HydrophobicContact CB-CB 4.34Å; P39-V84 HydrophobicContact CB-CG1 4.18Å; P39-V84 HydrophobicContact CB-CG2 4.06Å | ||
| 40 | G | 89.1 | Confident | 91.1 | Very high | 42 Ų | 42 | 71.3 Ų | 71.3 | 43% | 0.433 | 34% | 0.342 | S | S | . | . | trans | 88.8 | -162.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K38 | K38-G40 PolarHBondContact O-N 2.6Å; K38-G40 VanDerWaalsContact O-N 3.17Å | ||
| 41 | K | 91.2 | Very high | 91 | Very high | 123 Ų | 123 | 74.3 Ų | 74.3 | 54% | 0.535 | 36% | 0.36 | S | S | . | . | trans | -92.4 | 154.4 | 176.4 | -63.5 | -172.2 | 178 | -173.2 | 0 | 111.5 | E43 D44 F45 | K41-E43 PolarHBondContact O-N 2.85Å; K41-D44 PolarHBondContact O-N 3.3Å; K41-F45 PolarHBondContact O-N 2.85Å; K41-F45 VanDerWaalsContact O-N 3.16Å | ||
| 42 | F | 92.1 | Very high | 90.9 | Very high | 29 Ų | 29 | 67.7 Ų | 67.7 | 13% | 0.127 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56.3 | -39.1 | 173.6 | 167.8 | -114 | 0 | 0 | 0 | 112.1 | D44 F45 Y46 I62 I74 N75 D77 F80 | F42-D44 VanDerWaalsContact C-N 3.32Å; F42-D44 PolarHBondContact O-N 2.81Å; F42-F45 HydrophobicContact CD2-CD1 4.37Å; F42-F45 CarbonylContact O-C 3.55Å; F42-F45 PolarHBondContact O-N 3.26Å; F42-Y46 AromaticContact CZ-CD2 3.99Å; F42-Y46 HydrophobicContact CZ-CD2 3.99Å; F42-Y46 WeakPolarHBondContact O-CB 3.4Å; F42-Y46 PolarHBondContact O-N 2.9Å; F42-I62 HydrophobicContact CE2-CD1 4.37Å; F42-I74 HydrophobicContact CD2-CG2 3.48Å; F42-I74 VanDerWaalsContact CD2-CG2 3.48Å; F42-I74 HydrophobicContact CE2-CB 4.25Å; F42-I74 HydrophobicContact CE2-CG2 3.63Å; F42-I74 WeakPolarHBondContact CE2-O 3.43Å; F42-I74 WeakPolarHBondContact CZ-O 3.32Å; F42-N75 WeakPolarHBondContact CD1-O 3.28Å; F42-N75 VanDerWaalsContact CE1-O 3.32Å; F42-N75 WeakPolarHBondContact CE1-O 3.35Å; F42-D77 WeakPolarHBondContact CB-OD1 3.46Å; F42-D77 PolarHBondContact N-OD1 2.93Å; F42-F80 HydrophobicContact CB-CB 4.13Å; F42-F80 HydrophobicContact CD2-CB 4.45Å |
| 43 | E | 91.8 | Very high | 90.9 | Very high | 94 Ų | 94 | 66.1 Ų | 66.1 | 44% | 0.439 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -60.7 | -38.8 | 179.1 | 177.7 | 60.4 | -162.7 | 0 | 0 | 112.7 | K41 K47 | K41-E43 PolarHBondContact O-N 2.85Å; E43-K47 VanDerWaalsContact CG-NZ 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-K47 VanDerWaalsContact O-N 3.1Å; E43-K47 WeakPolarHBondContact OE1-CE 3.16Å; E43-K47 IonicContact OE1-NZ 2.72Å; E43-K47 PolarHBondContact OE1-NZ 2.78Å |
| 44 | D | 92.7 | Very high | 90.9 | Very high | 87 Ų | 87 | 68.7 Ų | 68.7 | 47% | 0.465 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -72.9 | -38.9 | 177.3 | -57.9 | -42.7 | 0 | 0 | 0 | 110.8 | K41 F42 K47 L48 | K41-D44 PolarHBondContact O-N 3.3Å; F42-D44 VanDerWaalsContact C-N 3.32Å; F42-D44 PolarHBondContact O-N 2.81Å; D44-K47 PolarHBondContact O-N 2.97Å; D44-L48 WeakPolarHBondContact O-CB 3.43Å; D44-L48 PolarHBondContact O-N 2.74Å |
| 45 | F | 94.1 | Very high | 90.7 | Very high | 5 Ų | 5 | 68.3 Ų | 68.3 | 2% | 0.022 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -65.1 | -38.6 | 173.1 | 175 | -108 | 0 | 0 | 0 | 112.7 | F32 L34 K41 F42 L48 V49 I62 I74 F80 V93 | F32-F45 HydrophobicContact CE2-CD2 4.4Å; F32-F45 AromaticContact CE2-CE2 3.85Å; F32-F45 HydrophobicContact CE2-CE2 3.85Å; F32-F45 AromaticContact CZ-CE2 3.8Å; F32-F45 HydrophobicContact CZ-CE2 3.8Å; L34-F45 HydrophobicContact CD1-CD2 3.94Å; L34-F45 HydrophobicContact CD1-CE2 3.83Å; L34-F45 HydrophobicContact CD2-CD2 4.32Å; K41-F45 PolarHBondContact O-N 2.85Å; K41-F45 VanDerWaalsContact O-N 3.16Å; F42-F45 HydrophobicContact CD2-CD1 4.37Å; F42-F45 CarbonylContact O-C 3.55Å; F42-F45 PolarHBondContact O-N 3.26Å; F45-L48 PolarHBondContact O-N 2.78Å; F45-V49 HydrophobicContact CD1-CG2 4.48Å; F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CG2 4.08Å; F45-V49 HydrophobicContact CE2-CG2 3.87Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CB 3.44Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 2.9Å; F45-I62 HydrophobicContact CE1-CD1 4.44Å; F45-I62 HydrophobicContact CE1-CG2 4.17Å; F45-I74 HydrophobicContact CE1-CD1 3.98Å; F45-F80 HydrophobicContact CB-CD2 4.22Å; F45-F80 HydrophobicContact CB-CE1 4.05Å; F45-F80 HydrophobicContact CB-CE2 3.66Å; F45-F80 HydrophobicContact CB-CZ 3.56Å; F45-F80 AromaticContact CD1-CD2 3.68Å; F45-F80 HydrophobicContact CD1-CD2 3.68Å; F45-F80 AromaticContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CZ 4.37Å; F45-F80 HydrophobicContact CD2-CD2 4.43Å; F45-F80 AromaticContact CD2-CE2 3.5Å; F45-F80 HydrophobicContact CD2-CE2 3.5Å; F45-F80 AromaticContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CE1-CD2 4.09Å; F45-F80 HydrophobicContact CE1-CE2 4.03Å; F45-F80 AromaticContact CE2-CE2 3.98Å; F45-F80 HydrophobicContact CE2-CE2 3.98Å; F45-F80 AromaticContact CG-CD2 3.85Å; F45-F80 HydrophobicContact CG-CD2 3.85Å; F45-F80 AromaticContact CG-CE2 3.27Å; F45-F80 HydrophobicContact CG-CE2 3.27Å; F45-F80 AromaticContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CZ-CE2 4.22Å; F45-V93 HydrophobicContact CZ-CG1 4.42Å; F45-V93 HydrophobicContact CZ-CG2 4.21Å |
| 46 | Y | 93.3 | Very high | 90.3 | Very high | 50 Ų | 50 | 69.7 Ų | 69.7 | 20% | 0.196 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -61.5 | -48.7 | 174.7 | -177.1 | -89.1 | 0 | 0 | 0 | 110.6 | F42 L48 V49 V50 V60 I62 | F42-Y46 AromaticContact CZ-CD2 3.99Å; F42-Y46 HydrophobicContact CZ-CD2 3.99Å; F42-Y46 WeakPolarHBondContact O-CB 3.4Å; F42-Y46 PolarHBondContact O-N 2.9Å; Y46-L48 PolarHBondContact O-N 2.91Å; Y46-V49 PolarHBondContact O-N 2.86Å; Y46-V50 HydrophobicContact CD1-CG2 4.11Å; Y46-V50 HydrophobicContact CE1-CG2 3.8Å; Y46-V50 WeakPolarHBondContact O-CB 3.27Å; Y46-V50 WeakPolarHBondContact O-CG2 3.42Å; Y46-V50 PolarHBondContact O-N 2.88Å; Y46-V60 HydrophobicContact CE2-CG2 3.59Å; Y46-V60 PolarHBondContact OH-N 3.4Å; Y46-I62 HydrophobicContact CD2-CD1 3.59Å; Y46-I62 HydrophobicContact CD2-CG1 4.25Å; Y46-I62 HydrophobicContact CE2-CD1 4.28Å; Y46-I62 HydrophobicContact CG-CD1 4.35Å |
| 47 | K | 92.4 | Very high | 89.2 | Confident | 108 Ų | 108 | 74.4 Ų | 74.4 | 47% | 0.47 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -58.5 | -46.4 | 173.7 | -74 | 165.9 | -178.5 | 145.7 | 0 | 112.1 | E43 D44 V49 V50 H51 | E43-K47 VanDerWaalsContact CG-NZ 3.3Å; E43-K47 WeakPolarHBondContact O-CG 3.37Å; E43-K47 PolarHBondContact O-N 2.9Å; E43-K47 VanDerWaalsContact O-N 3.1Å; E43-K47 WeakPolarHBondContact OE1-CE 3.16Å; E43-K47 IonicContact OE1-NZ 2.72Å; E43-K47 PolarHBondContact OE1-NZ 2.78Å; D44-K47 PolarHBondContact O-N 2.97Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.13Å; K47-V50 PolarHBondContact O-N 2.99Å; K47-H51 VanDerWaalsContact O-CB 3.23Å; K47-H51 WeakPolarHBondContact O-CB 3.04Å; K47-H51 PolarHBondContact O-N 3.36Å |
| 48 | L | 93.6 | Very high | 88.7 | Confident | 66 Ų | 66 | 69.6 Ų | 69.6 | 35% | 0.346 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -58.1 | -44.6 | 176.3 | 176.8 | 63.1 | 0 | 0 | 0 | 111.3 | F32 L34 D44 F45 Y46 T52 | F32-L48 HydrophobicContact CD2-CD2 4.05Å; F32-L48 HydrophobicContact CE2-CD2 3.84Å; F32-L48 HydrophobicContact CZ-CD2 4.45Å; L34-L48 HydrophobicContact CD2-CD2 4.23Å; D44-L48 WeakPolarHBondContact O-CB 3.43Å; D44-L48 PolarHBondContact O-N 2.74Å; F45-L48 PolarHBondContact O-N 2.78Å; Y46-L48 PolarHBondContact O-N 2.91Å; L48-T52 WeakPolarHBondContact O-CB 3.4Å; L48-T52 PolarHBondContact O-N 2.95Å; L48-T52 PolarHBondContact O-OG1 2.81Å |
| 49 | V | 93.4 | Very high | 88.5 | Confident | 0 Ų | 0 | 65.6 Ų | 65.6 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 178.1 | 160 | 0 | 0 | 0 | 0 | 111.9 | F32 F45 Y46 K47 T52 H53 I62 I95 | F32-V49 HydrophobicContact CZ-CG2 4.1Å; F45-V49 HydrophobicContact CD1-CG2 4.48Å; F45-V49 HydrophobicContact CD2-CG2 4.3Å; F45-V49 HydrophobicContact CE1-CG2 4.08Å; F45-V49 HydrophobicContact CE2-CG2 3.87Å; F45-V49 HydrophobicContact CZ-CG2 3.75Å; F45-V49 WeakPolarHBondContact O-CB 3.44Å; F45-V49 WeakPolarHBondContact O-CG2 3.32Å; F45-V49 PolarHBondContact O-N 2.9Å; Y46-V49 PolarHBondContact O-N 2.86Å; K47-V49 VanDerWaalsContact C-N 3.32Å; K47-V49 PolarHBondContact O-N 3.13Å; V49-T52 PolarHBondContact O-N 3.36Å; V49-H53 PolarHBondContact O-CD2 2.8Å; V49-H53 PolarHBondContact O-N 3.32Å; V49-I62 HydrophobicContact CB-CD1 4.14Å; V49-I62 HydrophobicContact CG1-CD1 3.9Å; V49-I62 HydrophobicContact CG2-CD1 4.37Å; V49-I95 HydrophobicContact CG1-CD1 3.37Å; V49-I95 HydrophobicContact CG1-CG1 3.79Å |
| 50 | V | 92.4 | Very high | 88.7 | Confident | 29 Ų | 29 | 64.5 Ų | 64.5 | 18% | 0.176 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.1 | -47.1 | 179.1 | 166.4 | 0 | 0 | 0 | 0 | 111 | Y46 K47 H54 I55 V60 | Y46-V50 HydrophobicContact CD1-CG2 4.11Å; Y46-V50 HydrophobicContact CE1-CG2 3.8Å; Y46-V50 WeakPolarHBondContact O-CB 3.27Å; Y46-V50 WeakPolarHBondContact O-CG2 3.42Å; Y46-V50 PolarHBondContact O-N 2.88Å; K47-V50 PolarHBondContact O-N 2.99Å; V50-H54 PolarHBondContact O-N 3.08Å; V50-H54 VanDerWaalsContact O-N 3.1Å; V50-I55 HydrophobicContact CG1-CB 4.27Å; V50-I55 PolarHBondContact O-N 3.25Å; V50-V60 HydrophobicContact CG2-CG2 4.03Å |
| 51 | H | 93 | Very high | 88.8 | Confident | 145 Ų | 145 | 64.4 Ų | 64.4 | 67% | 0.671 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -62.4 | -48.1 | 175.9 | -179.6 | 74.7 | 0 | 0 | 0 | 111.6 | K47 H53 H54 | K47-H51 VanDerWaalsContact O-CB 3.23Å; K47-H51 WeakPolarHBondContact O-CB 3.04Å; K47-H51 PolarHBondContact O-N 3.36Å; H51-H53 VanDerWaalsContact C-N 3.34Å; H51-H53 PolarHBondContact O-N 3.27Å; H51-H54 PolarHBondContact O-N 2.82Å; H51-H54 VanDerWaalsContact O-N 3.07Å |
| 52 | T | 93.9 | Very high | 88.8 | Confident | 26 Ų | 26 | 59 Ų | 59 | 16% | 0.16 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -58.1 | -44.9 | -178.5 | -66.2 | 0 | 0 | 0 | 0 | 111.5 | R30 F32 L48 V49 H54 | R30-T52 HydrophobicContact CB-CG2 3.83Å; R30-T52 VanDerWaalsContact CD-CG2 3.5Å; R30-T52 WeakPolarHBondContact CD-O 3.23Å; R30-T52 HydrophobicContact CG-CG2 4.27Å; R30-T52 PolarHBondContact NE-O 2.95Å; R30-T52 PolarHBondContact NH1-O 3.07Å; F32-T52 HydrophobicContact CD1-CG2 4.22Å; F32-T52 HydrophobicContact CE1-CG2 4.4Å; L48-T52 WeakPolarHBondContact O-CB 3.4Å; L48-T52 PolarHBondContact O-N 2.95Å; L48-T52 PolarHBondContact O-OG1 2.81Å; V49-T52 PolarHBondContact O-N 3.36Å; T52-H54 VanDerWaalsContact C-N 3.35Å; T52-H54 PolarHBondContact O-ND1 2.82Å; T52-H54 VanDerWaalsContact O-ND1 3.08Å |
| 53 | H | 93.1 | Very high | 88.9 | Confident | 5 Ų | 5 | 58 Ų | 58 | 2% | 0.023 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.7 | 8.7 | 178.3 | -72.7 | -85.5 | 0 | 0 | 0 | 114.5 | S23 F25 V49 H51 I55 I95 | S23-H53 WeakPolarHBondContact CB-NE2 3.2Å; S23-H53 PolarHBondContact O-CE1 3.05Å; S23-H53 PolarHBondContact OG-NE2 2.82Å; F25-H53 HydrophobicContact CB-CB 4.46Å; F25-H53 HydrophobicContact CD1-CB 4.42Å; V49-H53 PolarHBondContact O-CD2 2.8Å; V49-H53 PolarHBondContact O-N 3.32Å; H51-H53 VanDerWaalsContact C-N 3.34Å; H51-H53 PolarHBondContact O-N 3.27Å; H53-I55 HydrophobicContact CB-CD1 3.81Å; H53-I55 HydrophobicContact CB-CG1 3.65Å; H53-I55 PolarHBondContact O-N 2.83Å; H53-I95 WeakPolarHBondContact CD2-CD1 3.46Å; H53-I95 VanDerWaalsContact NE2-CD1 3.34Å; H53-I95 WeakPolarHBondContact NE2-CD1 3.22Å |
| 54 | H | 91.6 | Very high | 89 | Confident | 134 Ų | 134 | 53.6 Ų | 53.6 | 62% | 0.62 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 33.7 | 177.5 | -58.7 | 61.5 | 0 | 0 | 0 | 113.5 | R30 V50 H51 T52 S56 | R30-H54 PolarHBondContact NH1-CE1 2.72Å; V50-H54 PolarHBondContact O-N 3.08Å; V50-H54 VanDerWaalsContact O-N 3.1Å; H51-H54 PolarHBondContact O-N 2.82Å; H51-H54 VanDerWaalsContact O-N 3.07Å; T52-H54 VanDerWaalsContact C-N 3.35Å; T52-H54 PolarHBondContact O-ND1 2.82Å; T52-H54 VanDerWaalsContact O-ND1 3.08Å; H54-S56 PolarHBondContact O-N 3.27Å |
| 55 | I | 88.1 | Confident | 89 | Confident | 13 Ų | 13 | 50.5 Ų | 50.5 | 7% | 0.067 | 27% | 0.27 | C | S | . | . | trans | -77.1 | 117.6 | -172.9 | -54.5 | -179.4 | 0 | 0 | 0 | 109.6 | F25 V50 H53 N57 V60 I95 | F25-I55 HydrophobicContact CD1-CD1 3.98Å; F25-I55 HydrophobicContact CD1-CG1 4.09Å; F25-I55 HydrophobicContact CD2-CD1 4.02Å; F25-I55 HydrophobicContact CE1-CD1 3.95Å; F25-I55 HydrophobicContact CE1-CG1 3.84Å; F25-I55 HydrophobicContact CE2-CD1 3.99Å; F25-I55 HydrophobicContact CG-CD1 4.01Å; F25-I55 HydrophobicContact CZ-CD1 3.95Å; F25-I55 HydrophobicContact CZ-CG1 4.16Å; F25-I55 HydrophobicContact CZ-CG2 4.41Å; V50-I55 HydrophobicContact CG1-CB 4.27Å; V50-I55 PolarHBondContact O-N 3.25Å; H53-I55 HydrophobicContact CB-CD1 3.81Å; H53-I55 HydrophobicContact CB-CG1 3.65Å; H53-I55 PolarHBondContact O-N 2.83Å; I55-N57 PolarHBondContact O-N 2.96Å; I55-V60 HydrophobicContact CD1-CG1 4.1Å; I55-V60 HydrophobicContact CG2-CG1 4.01Å; I55-I95 HydrophobicContact CD1-CG2 3.98Å | ||
| 56 | S | 79.9 | Confident | 88.8 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 71% | 0.713 | 28% | 0.276 | S | S | * | . | trans | -79.6 | 99.2 | -173.3 | -25.3 | 0 | 0 | 0 | 0 | 111.4 | H54 S58 | H54-S56 PolarHBondContact O-N 3.27Å; S56-S58 PolarHBondContact O-N 3.29Å; S56-S58 PolarHBondContact O-OG 3.49Å | ||
| 57 | N | 63.7 | Low | 88.4 | Confident | 170 Ų | 170 | 53.9 Ų | 53.9 | 91% | 0.909 | 30% | 0.295 | S | S | * | . | S | Bend | trans | 35.1 | 40.1 | 171.8 | -71.3 | 0.3 | 0 | 0 | 0 | 115.5 | I55 | I55-N57 PolarHBondContact O-N 2.96Š|
| 58 | S | 73.1 | Confident | 88 | Confident | 34 Ų | 34 | 56 Ų | 56 | 24% | 0.238 | 31% | 0.306 | C | S | . | . | trans | -107.2 | 131.3 | -179.7 | -60.3 | 0 | 0 | 0 | 0 | 107.9 | S56 V60 | S56-S58 PolarHBondContact O-N 3.29Å; S56-S58 PolarHBondContact O-OG 3.49Å; S58-V60 PolarHBondContact O-N 2.79Å | ||
| 59 | D | 80.8 | Confident | 87.3 | Confident | 87 Ų | 87 | 54.6 Ų | 54.6 | 47% | 0.465 | 31% | 0.308 | S | S | . | . | trans | -61.9 | 119.6 | 171.8 | -93.9 | -28.6 | 0 | 0 | 0 | 110 | R98 | D59-R98 HydrophobicContact CB-CB 4.05Å; D59-R98 VanDerWaalsContact CB-CZ 3.49Å; D59-R98 WeakPolarHBondContact O-CB 3.42Å; D59-R98 PolarHBondContact O-N 2.85Å; D59-R98 IonicContact OD1-CZ 3.55Å; D59-R98 IonicContact OD1-NH2 3.49Å; D59-R98 PolarHBondContact OD1-NH2 2.69Å; D59-R98 IonicContact OD2-CZ 2.71Å; D59-R98 IonicContact OD2-NE 3.52Å; D59-R98 IonicContact OD2-NH1 2.73Å; D59-R98 PolarHBondContact OD2-NH1 3.07Å; D59-R98 IonicContact OD2-NH2 3.85Å; D59-R98 PolarHBondContact OD2-NH2 3.12Å; D59-R98 VanDerWaalsContact OD2-NH2 3.1Å | ||
| 60 | V | 89.1 | Confident | 86.9 | Confident | 6 Ų | 6 | 58.7 Ų | 58.7 | 4% | 0.036 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 149.7 | 177.7 | -65.4 | 0 | 0 | 0 | 0 | 111.6 | Y46 V50 I55 S58 I95 Q96 | Y46-V60 HydrophobicContact CE2-CG2 3.59Å; Y46-V60 PolarHBondContact OH-N 3.4Å; V50-V60 HydrophobicContact CG2-CG2 4.03Å; I55-V60 HydrophobicContact CD1-CG1 4.1Å; I55-V60 HydrophobicContact CG2-CG1 4.01Å; S58-V60 PolarHBondContact O-N 2.79Å; V60-I95 HydrophobicContact CB-CG2 3.76Å; V60-I95 HydrophobicContact CG1-CG2 3.94Å; V60-I95 HydrophobicContact CG2-CG2 4.03Å; V60-Q96 CarbonylContact C-O 3.47Å; V60-Q96 VanDerWaalsContact CA-O 3.23Å; V60-Q96 WeakPolarHBondContact CA-O 3.35Å; V60-Q96 WeakPolarHBondContact CB-O 3.46Å |
| 61 | T | 90.4 | Very high | 86.8 | Confident | 39 Ų | 39 | 61.6 Ų | 61.6 | 24% | 0.239 | 34% | 0.344 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 133.1 | 166.9 | 54 | 0 | 0 | 0 | 0 | 108.8 | I95 Q96 | T61-I95 WeakPolarHBondContact O-CA 3.47Å; T61-Q96 PolarHBondContact N-O 3.16Å; T61-Q96 PolarHBondContact O-N 2.89Å; T61-Q96 PolarHBondContact OG1-O 2.84Å |
| 62 | I | 93.2 | Very high | 86.6 | Confident | 9 Ų | 9 | 57.8 Ų | 57.8 | 5% | 0.046 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 135.8 | 177.4 | -53.9 | -177.8 | 0 | 0 | 0 | 108.3 | F42 F45 Y46 V49 I74 V93 | F42-I62 HydrophobicContact CE2-CD1 4.37Å; F45-I62 HydrophobicContact CE1-CD1 4.44Å; F45-I62 HydrophobicContact CE1-CG2 4.17Å; Y46-I62 HydrophobicContact CD2-CD1 3.59Å; Y46-I62 HydrophobicContact CD2-CG1 4.25Å; Y46-I62 HydrophobicContact CE2-CD1 4.28Å; Y46-I62 HydrophobicContact CG-CD1 4.35Å; V49-I62 HydrophobicContact CB-CD1 4.14Å; V49-I62 HydrophobicContact CG1-CD1 3.9Å; V49-I62 HydrophobicContact CG2-CD1 4.37Å; I62-I74 HydrophobicContact CB-CB 4.37Å; I62-I74 HydrophobicContact CG2-CB 4.09Å; I62-I74 HydrophobicContact CG2-CD1 4.19Å; I62-I74 HydrophobicContact CG2-CG1 4.38Å; I62-I74 PolarHBondContact O-N 3.12Å; I62-V93 HydrophobicContact CG2-CG1 3.44Å; I62-V93 VanDerWaalsContact CG2-CG1 3.44Å |
| 63 | G | 93.3 | Very high | 86.5 | Confident | 8 Ų | 8 | 59.8 Ų | 59.8 | 8% | 0.082 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | 161.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L72 V93 F94 | G63-L72 CarbonylContact C-O 3.56Å; G63-L72 WeakPolarHBondContact CA-O 3.28Å; G63-V93 CarbonylContact O-C 3.57Å; G63-V93 WeakPolarHBondContact O-CA 3.39Å; G63-F94 PolarHBondContact N-O 2.9Å; G63-F94 PolarHBondContact O-N 2.72Å |
| 64 | Y | 94.8 | Very high | 86.4 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 1% | 0.012 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 148.3 | 176.2 | 77 | -76 | 0 | 0 | 0 | 111.9 | D66 L71 L72 I74 A83 L91 R92 | Y64-D66 HydrophobicContact CD2-CB 4.39Å; Y64-D66 HydrophobicContact CE2-CB 3.76Å; Y64-L71 CarbonylContact O-C 3.58Å; Y64-L71 WeakPolarHBondContact O-CA 3.16Å; Y64-L72 HydrophobicContact CD1-CB 4.03Å; Y64-L72 WeakPolarHBondContact CD1-O 3.05Å; Y64-L72 HydrophobicContact CE1-CB 3.59Å; Y64-L72 HydrophobicContact CE1-CD1 4.33Å; Y64-L72 PolarHBondContact N-O 3.09Å; Y64-L72 PolarHBondContact O-N 3.27Å; Y64-I74 HydrophobicContact CD1-CD1 4.18Å; Y64-I74 HydrophobicContact CD1-CG1 3.64Å; Y64-I74 HydrophobicContact CE1-CG1 4.46Å; Y64-I74 HydrophobicContact CG-CD1 4.43Å; Y64-I74 HydrophobicContact CG-CG1 4.34Å; Y64-A83 HydrophobicContact CD1-CB 3.6Å; Y64-A83 HydrophobicContact CD2-CB 3.76Å; Y64-A83 HydrophobicContact CE1-CB 3.67Å; Y64-A83 HydrophobicContact CE2-CB 3.84Å; Y64-A83 HydrophobicContact CG-CB 3.64Å; Y64-L91 HydrophobicContact CD2-CD1 3.97Å; Y64-L91 HydrophobicContact CG-CD1 4.15Å; Y64-R92 CarbonylContact C-O 3.59Å; Y64-R92 WeakPolarHBondContact CA-O 3.43Å |
| 65 | A | 92.7 | Very high | 86.3 | Confident | 22 Ų | 22 | 54.8 Ų | 54.8 | 18% | 0.182 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.7 | 117.5 | 166.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | D70 R92 F94 | A65-D70 WeakPolarHBondContact CA-O 3.47Å; A65-R92 HydrophobicContact CB-CB 4.25Å; A65-R92 PolarHBondContact N-O 3.33Å; A65-F94 HydrophobicContact CB-CE2 3.94Å |
| 66 | D | 89.1 | Confident | 86.3 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.15 | 32% | 0.322 | C | S | . | . | trans | -73.7 | 176.4 | 176.6 | -169 | 46.7 | 0 | 0 | 0 | 112 | Y64 H68 G69 D70 L72 S86 | Y64-D66 HydrophobicContact CD2-CB 4.39Å; Y64-D66 HydrophobicContact CE2-CB 3.76Å; D66-H68 PolarHBondContact O-N 3.36Å; D66-H68 VanDerWaalsContact O-N 3.14Å; D66-H68 IonicContact OD2-CD2 2.68Å; D66-G69 PolarHBondContact O-N 3.37Å; D66-D70 PolarHBondContact N-O 2.72Å; D66-L72 HydrophobicContact CB-CD1 4.07Å; D66-S86 WeakPolarHBondContact OD1-CB 3.21Å; D66-S86 PolarHBondContact OD1-OG 3.13Å | ||
| 67 | V | 84.3 | Confident | 86.7 | Confident | 97 Ų | 97 | 53.3 Ų | 53.3 | 59% | 0.588 | 30% | 0.304 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.7 | -27.1 | 179.4 | -60.5 | 0 | 0 | 0 | 0 | 113.5 | S86 | V67-S86 WeakPolarHBondContact CG1-O 3.41Š|
| 68 | H | 83.5 | Confident | 87.8 | Confident | 152 Ų | 152 | 49.7 Ų | 49.7 | 70% | 0.704 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.4 | -11.7 | 175.3 | -61 | -69.6 | 0 | 0 | 0 | 113.8 | D66 | D66-H68 PolarHBondContact O-N 3.36Å; D66-H68 VanDerWaalsContact O-N 3.14Å; D66-H68 IonicContact OD2-CD2 2.68Å |
| 69 | G | 80.1 | Confident | 88.6 | Confident | 38 Ų | 38 | 50 Ų | 50 | 39% | 0.392 | 28% | 0.283 | S | S | . | . | S | Bend | trans | 94.2 | -4.4 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | D66 | D66-G69 PolarHBondContact O-N 3.37Š|
| 70 | D | 85.6 | Confident | 89.2 | Confident | 86 Ų | 86 | 45.8 Ų | 45.8 | 46% | 0.46 | 26% | 0.261 | S | S | . | . | trans | -70.3 | 139.2 | 177.9 | -62.7 | -54.5 | 0 | 0 | 0 | 112.2 | A65 D66 L72 | A65-D70 WeakPolarHBondContact CA-O 3.47Å; D66-D70 PolarHBondContact N-O 2.72Å; D70-L72 PolarHBondContact O-N 3.28Å | ||
| 71 | L | 89.2 | Confident | 89.3 | Confident | 90 Ų | 90 | 48 Ų | 48 | 47% | 0.471 | 28% | 0.276 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.8 | 102.2 | 178.5 | -175.9 | 66.1 | 0 | 0 | 0 | 110.2 | Y64 F94 | Y64-L71 CarbonylContact O-C 3.58Å; Y64-L71 WeakPolarHBondContact O-CA 3.16Å; L71-F94 HydrophobicContact CD1-CB 4.18Å; L71-F94 HydrophobicContact CD1-CD2 3.53Å; L71-F94 HydrophobicContact CD1-CE2 4.23Å; L71-F94 HydrophobicContact CD1-CG 4.08Å |
| 72 | L | 89.4 | Confident | 89.3 | Confident | 64 Ų | 64 | 52.2 Ų | 52.2 | 34% | 0.335 | 29% | 0.291 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.5 | 143.5 | -178.7 | -60.6 | 179.5 | 0 | 0 | 0 | 111 | G63 Y64 D66 D70 | G63-L72 CarbonylContact C-O 3.56Å; G63-L72 WeakPolarHBondContact CA-O 3.28Å; Y64-L72 HydrophobicContact CD1-CB 4.03Å; Y64-L72 WeakPolarHBondContact CD1-O 3.05Å; Y64-L72 HydrophobicContact CE1-CB 3.59Å; Y64-L72 HydrophobicContact CE1-CD1 4.33Å; Y64-L72 PolarHBondContact N-O 3.09Å; Y64-L72 PolarHBondContact O-N 3.27Å; D66-L72 HydrophobicContact CB-CD1 4.07Å; D70-L72 PolarHBondContact O-N 3.28Å |
| 73 | P | 91.1 | Very high | 89.2 | Confident | 68 Ų | 68 | 51.8 Ų | 51.8 | 44% | 0.442 | 29% | 0.289 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 141 | -179.8 | 29.7 | -34.7 | 0 | 0 | 0 | 112 | ||
| 74 | I | 92.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 51.4 Ų | 51.4 | 2% | 0.015 | 29% | 0.285 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.6 | 104 | 160.1 | -49.9 | -177.3 | 0 | 0 | 0 | 106.8 | F42 F45 I62 Y64 F80 A83 | F42-I74 HydrophobicContact CD2-CG2 3.48Å; F42-I74 VanDerWaalsContact CD2-CG2 3.48Å; F42-I74 HydrophobicContact CE2-CB 4.25Å; F42-I74 HydrophobicContact CE2-CG2 3.63Å; F42-I74 WeakPolarHBondContact CE2-O 3.43Å; F42-I74 WeakPolarHBondContact CZ-O 3.32Å; F45-I74 HydrophobicContact CE1-CD1 3.98Å; I62-I74 HydrophobicContact CB-CB 4.37Å; I62-I74 HydrophobicContact CG2-CB 4.09Å; I62-I74 HydrophobicContact CG2-CD1 4.19Å; I62-I74 HydrophobicContact CG2-CG1 4.38Å; I62-I74 PolarHBondContact O-N 3.12Å; Y64-I74 HydrophobicContact CD1-CD1 4.18Å; Y64-I74 HydrophobicContact CD1-CG1 3.64Å; Y64-I74 HydrophobicContact CE1-CG1 4.46Å; Y64-I74 HydrophobicContact CG-CD1 4.43Å; Y64-I74 HydrophobicContact CG-CG1 4.34Å; I74-F80 HydrophobicContact CG2-CB 3.71Å; I74-F80 HydrophobicContact CG2-CD2 4.2Å; I74-F80 HydrophobicContact CG2-CG 4.4Å; I74-A83 HydrophobicContact CD1-CB 3.93Å; I74-A83 HydrophobicContact CG1-CB 4.3Å |
| 75 | N | 88.9 | Confident | 88.9 | Confident | 32 Ų | 32 | 55 Ų | 55 | 17% | 0.171 | 31% | 0.311 | C | S | . | . | trans | -132.9 | -8 | -175.1 | 48.2 | -0.5 | 0 | 0 | 0 | 114.1 | F42 N79 D139 | F42-N75 WeakPolarHBondContact CD1-O 3.28Å; F42-N75 VanDerWaalsContact CE1-O 3.32Å; F42-N75 WeakPolarHBondContact CE1-O 3.35Å; N75-N79 PolarHBondContact OD1-ND2 3.29Å; N75-D139 WeakPolarHBondContact CB-OD1 3.37Å; N75-D139 PolarHBondContact ND2-N 3.32Å; N75-D139 PolarHBondContact ND2-OD1 3.31Å; N75-D139 PolarHBondContact OD1-OD1 3.03Å | ||
| 76 | N | 87.7 | Confident | 88.7 | Confident | 19 Ų | 19 | 55.5 Ų | 55.5 | 10% | 0.102 | 31% | 0.313 | C | S | . | . | S | Bend | trans | -152.1 | 172.1 | 178.4 | 59 | 64.6 | 0 | 0 | 0 | 111.1 | D78 N79 F80 D139 | N76-D78 PolarHBondContact O-N 2.77Å; N76-D78 PolarHBondContact OD1-N 2.93Å; N76-D78 VanDerWaalsContact OD1-N 3.12Å; N76-N79 PolarHBondContact ND2-ND2 3.3Å; N76-N79 PolarHBondContact O-N 2.94Å; N76-N79 WeakPolarHBondContact OD1-CB 3.5Å; N76-N79 PolarHBondContact OD1-N 3.27Å; N76-F80 WeakPolarHBondContact O-CB 3.44Å; N76-F80 PolarHBondContact O-N 3.15Å; N76-D139 PolarHBondContact ND2-OD1 2.94Å |
| 77 | D | 89.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 54.5 Ų | 54.5 | 35% | 0.348 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60 | -39.3 | -178.3 | -69.1 | -16.2 | 0 | 0 | 0 | 112.9 | F42 F80 C81 | F42-D77 WeakPolarHBondContact CB-OD1 3.46Å; F42-D77 PolarHBondContact N-OD1 2.93Å; D77-F80 PolarHBondContact O-N 2.72Å; D77-C81 WeakPolarHBondContact O-CB 3.49Å; D77-C81 PolarHBondContact O-N 3.31Å; D77-C81 PolarHBondContact O-SG 2.85Å |
| 78 | D | 85.9 | Confident | 88.5 | Confident | 94 Ų | 94 | 55.6 Ų | 55.6 | 50% | 0.503 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -67.5 | -46.5 | -178.8 | -59.5 | -58.2 | 0 | 0 | 0 | 111.9 | N76 F80 C81 K82 | N76-D78 PolarHBondContact O-N 2.77Å; N76-D78 PolarHBondContact OD1-N 2.93Å; N76-D78 VanDerWaalsContact OD1-N 3.12Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 2.9Å; D78-C81 PolarHBondContact O-N 2.85Å; D78-K82 VanDerWaalsContact O-CB 3.27Å; D78-K82 WeakPolarHBondContact O-CB 3.46Å; D78-K82 PolarHBondContact O-N 3.47Å |
| 79 | N | 90.6 | Very high | 88.2 | Confident | 39 Ų | 39 | 52.9 Ų | 52.9 | 21% | 0.209 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.1 | -34.2 | 176.9 | -75.7 | -20.8 | 0 | 0 | 0 | 111.4 | N75 N76 A83 | N75-N79 PolarHBondContact OD1-ND2 3.29Å; N76-N79 PolarHBondContact ND2-ND2 3.3Å; N76-N79 PolarHBondContact O-N 2.94Å; N76-N79 WeakPolarHBondContact OD1-CB 3.5Å; N76-N79 PolarHBondContact OD1-N 3.27Å; N79-A83 VanDerWaalsContact O-CB 3.3Å; N79-A83 WeakPolarHBondContact O-CB 3.37Å; N79-A83 PolarHBondContact O-N 2.88Å |
| 80 | F | 93.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.1 | -51.1 | 172.3 | 176 | -124.1 | 0 | 0 | 0 | 112 | L34 P39 F42 F45 I74 N76 D77 D78 K82 A83 V84 | L34-F80 HydrophobicContact CD1-CE2 3.85Å; L34-F80 HydrophobicContact CD1-CZ 3.98Å; P39-F80 HydrophobicContact CB-CE1 3.77Å; P39-F80 HydrophobicContact CB-CZ 3.95Å; P39-F80 WeakPolarHBondContact O-CE1 3.2Å; F42-F80 HydrophobicContact CB-CB 4.13Å; F42-F80 HydrophobicContact CD2-CB 4.45Å; F45-F80 HydrophobicContact CB-CD2 4.22Å; F45-F80 HydrophobicContact CB-CE1 4.05Å; F45-F80 HydrophobicContact CB-CE2 3.66Å; F45-F80 HydrophobicContact CB-CZ 3.56Å; F45-F80 AromaticContact CD1-CD2 3.68Å; F45-F80 HydrophobicContact CD1-CD2 3.68Å; F45-F80 AromaticContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CE2 3.57Å; F45-F80 HydrophobicContact CD1-CZ 4.37Å; F45-F80 HydrophobicContact CD2-CD2 4.43Å; F45-F80 AromaticContact CD2-CE2 3.5Å; F45-F80 HydrophobicContact CD2-CE2 3.5Å; F45-F80 AromaticContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CD2-CZ 3.9Å; F45-F80 HydrophobicContact CE1-CD2 4.09Å; F45-F80 HydrophobicContact CE1-CE2 4.03Å; F45-F80 AromaticContact CE2-CE2 3.98Å; F45-F80 HydrophobicContact CE2-CE2 3.98Å; F45-F80 AromaticContact CG-CD2 3.85Å; F45-F80 HydrophobicContact CG-CD2 3.85Å; F45-F80 AromaticContact CG-CE2 3.27Å; F45-F80 HydrophobicContact CG-CE2 3.27Å; F45-F80 AromaticContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CG-CZ 3.69Å; F45-F80 HydrophobicContact CZ-CE2 4.22Å; I74-F80 HydrophobicContact CG2-CB 3.71Å; I74-F80 HydrophobicContact CG2-CD2 4.2Å; I74-F80 HydrophobicContact CG2-CG 4.4Å; N76-F80 WeakPolarHBondContact O-CB 3.44Å; N76-F80 PolarHBondContact O-N 3.15Å; D77-F80 PolarHBondContact O-N 2.72Å; D78-F80 VanDerWaalsContact C-N 3.3Å; D78-F80 PolarHBondContact O-N 2.9Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.9Å; F80-A83 PolarHBondContact O-N 3.45Å; F80-V84 HydrophobicContact CD2-CG2 4.2Å; F80-V84 HydrophobicContact CE2-CG2 3.77Å; F80-V84 HydrophobicContact CZ-CG2 4.14Å; F80-V84 WeakPolarHBondContact O-CG2 3.41Å; F80-V84 PolarHBondContact O-N 2.96Å |
| 81 | C | 91 | Very high | 89.1 | Confident | 51 Ų | 51 | 49 Ų | 49 | 35% | 0.345 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.5 | -41.6 | 175.8 | -73.4 | 0 | 0 | 0 | 0 | 112.1 | D77 D78 V84 S85 | D77-C81 WeakPolarHBondContact O-CB 3.49Å; D77-C81 PolarHBondContact O-N 3.31Å; D77-C81 PolarHBondContact O-SG 2.85Å; D78-C81 PolarHBondContact O-N 2.85Å; C81-V84 PolarHBondContact O-N 3.12Å; C81-S85 VanDerWaalsContact O-CB 3.23Å; C81-S85 WeakPolarHBondContact O-CB 3.49Å; C81-S85 PolarHBondContact O-N 3.18Å; C81-S85 PolarHBondContact O-OG 2.95Å |
| 82 | K | 89.8 | Confident | 89.4 | Confident | 128 Ų | 128 | 51.5 Ų | 51.5 | 56% | 0.557 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.6 | -43.5 | 176.6 | -170.2 | 174.9 | -177.6 | -178.8 | 0 | 112 | D78 F80 S85 S86 | D78-K82 VanDerWaalsContact O-CB 3.27Å; D78-K82 WeakPolarHBondContact O-CB 3.46Å; D78-K82 PolarHBondContact O-N 3.47Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.9Å; K82-S85 PolarHBondContact O-N 3.19Å; K82-S86 PolarHBondContact O-N 2.71Å; K82-S86 PolarHBondContact O-OG 3.38Å |
| 83 | A | 92.3 | Very high | 89.7 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y64 I74 N79 F80 S85 A87 L91 | Y64-A83 HydrophobicContact CD1-CB 3.6Å; Y64-A83 HydrophobicContact CD2-CB 3.76Å; Y64-A83 HydrophobicContact CE1-CB 3.67Å; Y64-A83 HydrophobicContact CE2-CB 3.84Å; Y64-A83 HydrophobicContact CG-CB 3.64Å; I74-A83 HydrophobicContact CD1-CB 3.93Å; I74-A83 HydrophobicContact CG1-CB 4.3Å; N79-A83 VanDerWaalsContact O-CB 3.3Å; N79-A83 WeakPolarHBondContact O-CB 3.37Å; N79-A83 PolarHBondContact O-N 2.88Å; F80-A83 PolarHBondContact O-N 3.45Å; A83-S85 VanDerWaalsContact C-N 3.35Å; A83-A87 WeakPolarHBondContact O-CB 3.19Å; A83-A87 PolarHBondContact O-N 2.83Å; A83-L91 HydrophobicContact CB-CD1 4.02Å; A83-L91 HydrophobicContact CB-CD2 4.42Å |
| 84 | V | 92.2 | Very high | 89.8 | Confident | 0 Ų | 0 | 48.5 Ų | 48.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 176.8 | 177.5 | 0 | 0 | 0 | 0 | 111.5 | V19 L34 R36 P39 F80 C81 L91 | V19-V84 HydrophobicContact CB-CG1 4.28Å; V19-V84 HydrophobicContact CG2-CG1 3.73Å; L34-V84 HydrophobicContact CD1-CG2 3.92Å; R36-V84 PolarHBondContact NH2-O 2.97Å; P39-V84 HydrophobicContact CB-CB 4.34Å; P39-V84 HydrophobicContact CB-CG1 4.18Å; P39-V84 HydrophobicContact CB-CG2 4.06Å; F80-V84 HydrophobicContact CD2-CG2 4.2Å; F80-V84 HydrophobicContact CE2-CG2 3.77Å; F80-V84 HydrophobicContact CZ-CG2 4.14Å; F80-V84 WeakPolarHBondContact O-CG2 3.41Å; F80-V84 PolarHBondContact O-N 2.96Å; C81-V84 PolarHBondContact O-N 3.12Å; V84-L91 HydrophobicContact CG2-CD2 4.08Å |
| 85 | S | 89 | Confident | 89.9 | Confident | 79 Ų | 79 | 48.6 Ų | 48.6 | 55% | 0.552 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -73.7 | -38.7 | -179.3 | -64.6 | 0 | 0 | 0 | 0 | 113.2 | C81 K82 A83 | C81-S85 VanDerWaalsContact O-CB 3.23Å; C81-S85 WeakPolarHBondContact O-CB 3.49Å; C81-S85 PolarHBondContact O-N 3.18Å; C81-S85 PolarHBondContact O-OG 2.95Å; K82-S85 PolarHBondContact O-N 3.19Å; A83-S85 VanDerWaalsContact C-N 3.35Å |
| 86 | S | 88.3 | Confident | 90 | Very high | 32 Ų | 32 | 51.4 Ų | 51.4 | 22% | 0.224 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -79.9 | -22.7 | 179.6 | 78.4 | 0 | 0 | 0 | 0 | 113.8 | D66 V67 K82 N88 | D66-S86 WeakPolarHBondContact OD1-CB 3.21Å; D66-S86 PolarHBondContact OD1-OG 3.13Å; V67-S86 WeakPolarHBondContact CG1-O 3.41Å; K82-S86 PolarHBondContact O-N 2.71Å; K82-S86 PolarHBondContact O-OG 3.38Å; S86-N88 PolarHBondContact O-N 2.86Å |
| 87 | A | 87.8 | Confident | 89.9 | Confident | 8 Ų | 8 | 53 Ų | 53 | 7% | 0.066 | 28% | 0.277 | C | S | . | . | trans | -57.1 | 127.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113 | V19 R36 A83 L91 | V19-A87 HydrophobicContact CG1-CB 3.73Å; R36-A87 PolarHBondContact NH2-O 3.39Å; A83-A87 WeakPolarHBondContact O-CB 3.19Å; A83-A87 PolarHBondContact O-N 2.83Å; A87-L91 HydrophobicContact CB-CB 3.66Å; A87-L91 HydrophobicContact CB-CD1 4.31Å; A87-L91 HydrophobicContact CB-CG 4.48Å | ||
| 88 | N | 81.8 | Confident | 89.3 | Confident | 119 Ų | 119 | 53.6 Ų | 53.6 | 64% | 0.636 | 27% | 0.274 | S | S | * | . | S | Bend | trans | -148 | 109.7 | 177.3 | -165.4 | -24 | 0 | 0 | 0 | 112.6 | S86 L90 | S86-N88 PolarHBondContact O-N 2.86Å; N88-L90 VanDerWaalsContact C-N 3.31Å |
| 89 | P | 77.8 | Confident | 88.3 | Confident | 96 Ų | 96 | 54.6 Ų | 54.6 | 62% | 0.623 | 28% | 0.275 | S | S | * | . | S | Bend | cis | -82 | -5.6 | -17.3 | 35.6 | -35.9 | 0 | 0 | 0 | 113 | ||
| 90 | L | 89.4 | Confident | 86.9 | Confident | 40 Ų | 40 | 58.3 Ų | 58.3 | 21% | 0.209 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 117.4 | -166.2 | -175.7 | 75.5 | 0 | 0 | 0 | 111.8 | E20 K22 N88 R92 | E20-L90 HydrophobicContact CB-CD1 3.69Å; E20-L90 CarbonylContact O-C 3.57Å; E20-L90 WeakPolarHBondContact O-CA 3.3Å; K22-L90 HydrophobicContact CB-CD1 3.91Å; K22-L90 HydrophobicContact CB-CD2 4.05Å; K22-L90 HydrophobicContact CB-CG 4.21Å; K22-L90 HydrophobicContact CD-CD2 4.43Å; N88-L90 VanDerWaalsContact C-N 3.31Å; L90-R92 HydrophobicContact CD2-CG 4.06Å; L90-R92 HydrophobicContact CG-CG 4.34Å; L90-R92 PolarHBondContact O-N 3.39Å |
| 91 | L | 94.4 | Very high | 85.2 | Confident | 2 Ų | 2 | 59.5 Ų | 59.5 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77 | 116.9 | 167.4 | 179.6 | 51.7 | 0 | 0 | 0 | 109.4 | V19 E20 V21 K22 Y64 A83 V84 A87 V93 | V19-L91 HydrophobicContact CG1-CB 3.94Å; E20-L91 PolarHBondContact O-N 3.34Å; V21-L91 CarbonylContact C-O 3.51Å; V21-L91 WeakPolarHBondContact CA-O 3.48Å; V21-L91 HydrophobicContact CG2-CB 4.4Å; V21-L91 HydrophobicContact CG2-CD2 4.37Å; K22-L91 PolarHBondContact N-O 3.02Å; Y64-L91 HydrophobicContact CD2-CD1 3.97Å; Y64-L91 HydrophobicContact CG-CD1 4.15Å; A83-L91 HydrophobicContact CB-CD1 4.02Å; A83-L91 HydrophobicContact CB-CD2 4.42Å; V84-L91 HydrophobicContact CG2-CD2 4.08Å; A87-L91 HydrophobicContact CB-CB 3.66Å; A87-L91 HydrophobicContact CB-CD1 4.31Å; A87-L91 HydrophobicContact CB-CG 4.48Å; L91-V93 HydrophobicContact CD1-CG2 4.36Å; L91-V93 HydrophobicContact CD2-CG2 4.21Å; L91-V93 HydrophobicContact CG-CG2 3.79Å |
| 92 | R | 94.9 | Very high | 83.3 | Confident | 143 Ų | 143 | 61.4 Ų | 61.4 | 54% | 0.54 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 110.4 | 178.8 | -66.5 | 175.8 | -177.3 | 145.5 | 1.3 | 109.6 | Y64 A65 L90 F94 | Y64-R92 CarbonylContact C-O 3.59Å; Y64-R92 WeakPolarHBondContact CA-O 3.43Å; A65-R92 HydrophobicContact CB-CB 4.25Å; A65-R92 PolarHBondContact N-O 3.33Å; L90-R92 HydrophobicContact CD2-CG 4.06Å; L90-R92 HydrophobicContact CG-CG 4.34Å; L90-R92 PolarHBondContact O-N 3.39Å; R92-F94 HydrophobicContact CB-CE2 4.19Å |
| 93 | V | 96 | Very high | 81.3 | Confident | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.006 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.4 | 137.5 | -175.7 | -177.1 | 0 | 0 | 0 | 0 | 110.1 | V21 K22 S23 K24 F45 I62 G63 L91 I95 | V21-V93 HydrophobicContact CG1-CB 4.35Å; V21-V93 HydrophobicContact CG1-CG2 3.61Å; K22-V93 PolarHBondContact O-N 2.82Å; S23-V93 CarbonylContact C-O 3.54Å; S23-V93 WeakPolarHBondContact CA-O 3.35Å; K24-V93 PolarHBondContact N-O 3.36Å; F45-V93 HydrophobicContact CZ-CG1 4.42Å; F45-V93 HydrophobicContact CZ-CG2 4.21Å; I62-V93 HydrophobicContact CG2-CG1 3.44Å; I62-V93 VanDerWaalsContact CG2-CG1 3.44Å; G63-V93 CarbonylContact O-C 3.57Å; G63-V93 WeakPolarHBondContact O-CA 3.39Å; L91-V93 HydrophobicContact CD1-CG2 4.36Å; L91-V93 HydrophobicContact CD2-CG2 4.21Å; L91-V93 HydrophobicContact CG-CG2 3.79Å; V93-I95 HydrophobicContact CG1-CG1 4.46Å |
| 94 | F | 94.4 | Very high | 79.1 | Confident | 67 Ų | 67 | 68.1 Ų | 68.1 | 29% | 0.294 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 130.6 | 178 | -60.5 | -94.5 | 0 | 0 | 0 | 108.8 | K24 G63 A65 L71 R92 | K24-F94 HydrophobicContact CB-CD1 4.37Å; K24-F94 HydrophobicContact CD-CD1 4.05Å; K24-F94 HydrophobicContact CD-CE1 4.12Å; G63-F94 PolarHBondContact N-O 2.9Å; G63-F94 PolarHBondContact O-N 2.72Å; A65-F94 HydrophobicContact CB-CE2 3.94Å; L71-F94 HydrophobicContact CD1-CB 4.18Å; L71-F94 HydrophobicContact CD1-CD2 3.53Å; L71-F94 HydrophobicContact CD1-CE2 4.23Å; L71-F94 HydrophobicContact CD1-CG 4.08Å; R92-F94 HydrophobicContact CB-CE2 4.19Å |
| 95 | I | 93.8 | Very high | 77 | Confident | 6 Ų | 6 | 71.3 Ų | 71.3 | 3% | 0.031 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 133.3 | -179.1 | -54.2 | 151.7 | 0 | 0 | 0 | 107.4 | S23 K24 F25 V49 H53 I55 V60 T61 V93 | S23-I95 VanDerWaalsContact OG-CD1 3.25Å; S23-I95 WeakPolarHBondContact OG-CD1 3.39Å; K24-I95 PolarHBondContact O-N 3.31Å; F25-I95 HydrophobicContact CB-CB 4.23Å; F25-I95 HydrophobicContact CB-CD1 4.14Å; F25-I95 HydrophobicContact CD2-CB 3.85Å; F25-I95 HydrophobicContact CD2-CG2 3.64Å; F25-I95 HydrophobicContact CE2-CG2 4.16Å; F25-I95 HydrophobicContact CG-CB 4.45Å; F25-I95 HydrophobicContact CG-CG2 4.45Å; V49-I95 HydrophobicContact CG1-CD1 3.37Å; V49-I95 HydrophobicContact CG1-CG1 3.79Å; H53-I95 WeakPolarHBondContact CD2-CD1 3.46Å; H53-I95 VanDerWaalsContact NE2-CD1 3.34Å; H53-I95 WeakPolarHBondContact NE2-CD1 3.22Å; I55-I95 HydrophobicContact CD1-CG2 3.98Å; V60-I95 HydrophobicContact CB-CG2 3.76Å; V60-I95 HydrophobicContact CG1-CG2 3.94Å; V60-I95 HydrophobicContact CG2-CG2 4.03Å; T61-I95 WeakPolarHBondContact O-CA 3.47Å; V93-I95 HydrophobicContact CG1-CG1 4.46Å |
| 96 | Q | 89.8 | Confident | 74.9 | Confident | 90 Ų | 90 | 75 Ų | 75 | 42% | 0.421 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 146.7 | 174.4 | -63.5 | 178.1 | -0.3 | 0 | 0 | 108.7 | V60 T61 | V60-Q96 CarbonylContact C-O 3.47Å; V60-Q96 VanDerWaalsContact CA-O 3.23Å; V60-Q96 WeakPolarHBondContact CA-O 3.35Å; V60-Q96 WeakPolarHBondContact CB-O 3.46Å; T61-Q96 PolarHBondContact N-O 3.16Å; T61-Q96 PolarHBondContact O-N 2.89Å; T61-Q96 PolarHBondContact OG1-O 2.84Å |
| 97 | K | 87.4 | Confident | 72.5 | Confident | 54 Ų | 54 | 76.4 Ų | 76.4 | 24% | 0.235 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 143.4 | 168.7 | -68.9 | -172.6 | 163.1 | -166.5 | 0 | 110.2 | F25 E99 E100 A101 | F25-K97 HydrophobicContact CE2-CG 4.01Å; F25-K97 HydrophobicContact CZ-CG 4.02Å; K97-E99 VanDerWaalsContact C-N 3.31Å; K97-E99 HydrophobicContact CB-CG 3.97Å; K97-E99 HydrophobicContact CD-CG 4.22Å; K97-E99 WeakPolarHBondContact CD-OE1 3.13Å; K97-E99 IonicContact NZ-OE1 3.1Å; K97-E99 PolarHBondContact NZ-OE1 2.92Å; K97-E99 PolarHBondContact O-N 3.02Å; K97-E100 HydrophobicContact CB-CB 4.44Å; K97-E100 HydrophobicContact CB-CG 4.19Å; K97-E100 PolarHBondContact O-N 2.89Å; K97-A101 PolarHBondContact O-N 2.97Å |
| 98 | R | 74.9 | Confident | 70.7 | Confident | 76 Ų | 76 | 81.4 Ų | 81.4 | 29% | 0.287 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -56.7 | -44.5 | 179.4 | -171.5 | 175.4 | -60.2 | 162.1 | 11.8 | 112.2 | D59 E100 A101 E102 | D59-R98 HydrophobicContact CB-CB 4.05Å; D59-R98 VanDerWaalsContact CB-CZ 3.49Å; D59-R98 WeakPolarHBondContact O-CB 3.42Å; D59-R98 PolarHBondContact O-N 2.85Å; D59-R98 IonicContact OD1-CZ 3.55Å; D59-R98 IonicContact OD1-NH2 3.49Å; D59-R98 PolarHBondContact OD1-NH2 2.69Å; D59-R98 IonicContact OD2-CZ 2.71Å; D59-R98 IonicContact OD2-NE 3.52Å; D59-R98 IonicContact OD2-NH1 2.73Å; D59-R98 PolarHBondContact OD2-NH1 3.07Å; D59-R98 IonicContact OD2-NH2 3.85Å; D59-R98 PolarHBondContact OD2-NH2 3.12Å; D59-R98 VanDerWaalsContact OD2-NH2 3.1Å; R98-E100 PolarHBondContact O-N 3.27Å; R98-A101 PolarHBondContact O-N 2.84Å; R98-A101 VanDerWaalsContact O-N 3.17Å; R98-E102 WeakPolarHBondContact CG-OE1 3.21Å; R98-E102 PolarHBondContact O-N 2.81Å; R98-E102 VanDerWaalsContact O-N 3.15Å |
| 99 | E | 66.6 | Low | 68.9 | Low | 115 Ų | 115 | 78.5 Ų | 78.5 | 54% | 0.537 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -58.9 | -26.3 | 176.6 | 63 | -179.5 | 166.6 | 0 | 0 | 114.5 | K97 | K97-E99 VanDerWaalsContact C-N 3.31Å; K97-E99 HydrophobicContact CB-CG 3.97Å; K97-E99 HydrophobicContact CD-CG 4.22Å; K97-E99 WeakPolarHBondContact CD-OE1 3.13Å; K97-E99 IonicContact NZ-OE1 3.1Å; K97-E99 PolarHBondContact NZ-OE1 2.92Å; K97-E99 PolarHBondContact O-N 3.02Å |
| 100 | E | 61.1 | Low | 67.4 | Low | 118 Ų | 118 | 78.4 Ų | 78.4 | 55% | 0.551 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -90.5 | -34.8 | 177.5 | -64.7 | -176.8 | 147.7 | 0 | 0 | 111.9 | K97 R98 R103 G104 | K97-E100 HydrophobicContact CB-CB 4.44Å; K97-E100 HydrophobicContact CB-CG 4.19Å; K97-E100 PolarHBondContact O-N 2.89Å; R98-E100 PolarHBondContact O-N 3.27Å; E100-R103 PolarHBondContact O-N 2.73Å; E100-G104 PolarHBondContact O-N 3.27Å |
| 101 | A | 56.4 | Low | 65.5 | Low | 24 Ų | 24 | 84.1 Ų | 84.1 | 20% | 0.198 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.5 | -43 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K97 R98 G104 S105 | K97-A101 PolarHBondContact O-N 2.97Å; R98-A101 PolarHBondContact O-N 2.84Å; R98-A101 VanDerWaalsContact O-N 3.17Å; A101-G104 PolarHBondContact O-N 3.44Å; A101-G104 VanDerWaalsContact O-N 3.11Å; A101-S105 WeakPolarHBondContact O-CB 3.48Å; A101-S105 PolarHBondContact O-N 2.88Å; A101-S105 VanDerWaalsContact O-N 3.11Å |
| 102 | E | 50.8 | Low | 63 | Low | 92 Ų | 92 | 89.4 Ų | 89.4 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.6 | -36.3 | 179.2 | -74.7 | 155.8 | -170.6 | 0 | 0 | 112.1 | R98 G104 | R98-E102 WeakPolarHBondContact CG-OE1 3.21Å; R98-E102 PolarHBondContact O-N 2.81Å; R98-E102 VanDerWaalsContact O-N 3.15Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 2.91Å |
| 103 | R | 48.3 | Very low | 60.8 | Low | 229 Ų | 229 | 94.4 Ų | 94.4 | 86% | 0.864 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72.9 | -19.6 | 171 | -71.9 | -177.9 | 175 | -134 | 4.3 | 114.1 | E100 | E100-R103 PolarHBondContact O-N 2.73Å |
| 104 | G | 46.4 | Very low | 58.3 | Low | 39 Ų | 39 | 104 Ų | 104 | 40% | 0.402 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -93.8 | -21.2 | -175.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | E100 A101 E102 L106 | E100-G104 PolarHBondContact O-N 3.27Å; A101-G104 PolarHBondContact O-N 3.44Å; A101-G104 VanDerWaalsContact O-N 3.11Å; E102-G104 VanDerWaalsContact C-N 3.3Å; E102-G104 PolarHBondContact O-N 2.91Å; G104-L106 PolarHBondContact O-N 3.03Å |
| 105 | S | 46.9 | Very low | 55.8 | Low | 68 Ų | 68 | 112.4 Ų | 112.4 | 48% | 0.476 | 59% | 0.585 | S | S | . | * | trans | -78.4 | 46.7 | -164.4 | -168.9 | 0 | 0 | 0 | 0 | 115.9 | A101 | A101-S105 WeakPolarHBondContact O-CB 3.48Å; A101-S105 PolarHBondContact O-N 2.88Å; A101-S105 VanDerWaalsContact O-N 3.11Å | ||
| 106 | L | 45.4 | Very low | 53.5 | Low | 157 Ų | 157 | 124 Ų | 124 | 82% | 0.822 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -94.7 | 88.9 | 152.3 | -74.2 | 177.6 | 0 | 0 | 0 | 109 | G104 R114 | G104-L106 PolarHBondContact O-N 3.03Å; L106-R114 PolarHBondContact O-NH2 3.22Å |
| 107 | G | 38 | Very low | 51 | Low | 60 Ų | 60 | 124.6 Ų | 124.6 | 62% | 0.619 | 65% | 0.649 | S | S | * | * | S | Bend | trans | 117 | 120.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G109 | G107-G109 PolarHBondContact O-N 2.79Š|
| 108 | A | 51 | Low | 48.9 | Very low | 113 Ų | 113 | 130.7 Ų | 130.7 | 93% | 0.934 | 68% | 0.683 | S | S | * | * | trans | -60.7 | 105.3 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | S110 | A108-S110 PolarHBondContact O-N 2.85Š| ||
| 109 | G | 42.3 | Very low | 47.2 | Very low | 58 Ų | 58 | 130.7 Ų | 130.7 | 60% | 0.598 | 71% | 0.706 | S | S | * | * | trans | -87.3 | 89.3 | -167 | 0 | 0 | 0 | 0 | 0 | 114.1 | G107 | G107-G109 PolarHBondContact O-N 2.79Š| ||
| 110 | S | 48.1 | Very low | 46 | Very low | 95 Ų | 95 | 130.4 Ų | 130.4 | 66% | 0.664 | 72% | 0.723 | S | S | * | * | trans | -57.5 | 155.8 | 141.7 | -174.8 | 0 | 0 | 0 | 0 | 109 | A108 C112 | A108-S110 PolarHBondContact O-N 2.85Å; S110-C112 PolarHBondContact O-N 2.93Å | ||
| 111 | L | 49.5 | Very low | 45.6 | Very low | 160 Ų | 160 | 132.7 Ų | 132.7 | 84% | 0.838 | 74% | 0.739 | S | S | * | * | S | Bend | trans | -71.3 | 53.5 | -165.9 | -67.6 | 173 | 0 | 0 | 0 | 115.3 | R113 | L111-R113 PolarHBondContact O-N 2.71Š|
| 112 | C | 42 | Very low | 45 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 76% | 0.764 | 77% | 0.772 | S | S | * | * | trans | -89.3 | 83.4 | 175.3 | -82.6 | 0 | 0 | 0 | 0 | 112.6 | S110 R114 | S110-C112 PolarHBondContact O-N 2.93Å; C112-R114 PolarHBondContact O-N 2.52Å | ||
| 113 | R | 47.2 | Very low | 44.9 | Very low | 248 Ų | 248 | 144.6 Ų | 144.6 | 94% | 0.936 | 78% | 0.784 | S | S | * | * | trans | 9 | 77.8 | 145.2 | -153.2 | 179 | -163.5 | -174.4 | 4.8 | 116.6 | L111 R115 | L111-R113 PolarHBondContact O-N 2.71Å; R113-R115 PolarHBondContact O-N 3.14Å; R113-R115 VanDerWaalsContact O-N 3.12Å | ||
| 114 | R | 44.4 | Very low | 44.3 | Very low | 203 Ų | 203 | 141.4 Ų | 141.4 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | trans | -62.8 | 112.9 | 172.4 | -90.8 | -170.2 | 179.2 | 177.5 | 4.4 | 111.1 | L106 C112 | L106-R114 PolarHBondContact O-NH2 3.22Å; C112-R114 PolarHBondContact O-N 2.52Å | ||
| 115 | R | 40.5 | Very low | 44.8 | Very low | 243 Ų | 243 | 143.2 Ų | 143.2 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 130.3 | 166.5 | -162.8 | 177.4 | -170.3 | -179.2 | 2.2 | 108 | R113 | R113-R115 PolarHBondContact O-N 3.14Å; R113-R115 VanDerWaalsContact O-N 3.12Å | ||
| 116 | R | 45.9 | Very low | 44.9 | Very low | 249 Ų | 249 | 145.1 Ų | 145.1 | 94% | 0.94 | 81% | 0.808 | S | S | * | * | trans | -68.7 | 138.5 | 175.8 | -72.2 | -179.6 | 175.2 | 172.9 | -2.9 | 110.3 | ||||
| 117 | A | 37.3 | Very low | 45.3 | Very low | 102 Ų | 102 | 149.5 Ų | 149.5 | 84% | 0.843 | 81% | 0.814 | S | S | * | * | trans | -125.1 | 139.2 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 118 | L | 44.6 | Very low | 46.1 | Very low | 183 Ų | 183 | 157.7 Ų | 157.7 | 96% | 0.958 | 83% | 0.826 | S | S | * | * | trans | -93.4 | 145.1 | 175.8 | -69.8 | 157.9 | 0 | 0 | 0 | 108.7 | ||||
| 119 | G | 38.7 | Very low | 46.4 | Very low | 75 Ų | 75 | 163.6 Ų | 163.6 | 77% | 0.773 | 82% | 0.824 | S | S | * | * | trans | 173.1 | 121.3 | 169.6 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 120 | A | 40.5 | Very low | 47.3 | Very low | 109 Ų | 109 | 165.1 Ų | 165.1 | 90% | 0.901 | 83% | 0.831 | S | S | * | * | trans | 75.9 | 146.1 | 155.1 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 121 | L | 53.7 | Low | 48.1 | Very low | 167 Ų | 167 | 167.9 Ų | 167.9 | 87% | 0.874 | 83% | 0.833 | S | S | * | * | trans | -116.4 | 174.3 | -177.4 | -69.1 | 162.6 | 0 | 0 | 0 | 109.5 | ||||
| 122 | R | 43.1 | Very low | 49.3 | Very low | 238 Ų | 238 | 167.2 Ų | 167.2 | 90% | 0.898 | 83% | 0.83 | S | S | * | * | trans | 71.6 | 153.6 | 174.8 | -74.3 | 179.9 | 138.2 | 167.9 | -3.8 | 115.2 | ||||
| 123 | D | 48.1 | Very low | 50.9 | Low | 127 Ų | 127 | 166.9 Ų | 166.9 | 68% | 0.679 | 82% | 0.82 | S | S | * | * | cis | -164.7 | -165.6 | -25.4 | -158.9 | -16 | 0 | 0 | 0 | 105.3 | ||||
| 124 | E | 37.3 | Very low | 52.6 | Low | 163 Ų | 163 | 162.7 Ų | 162.7 | 76% | 0.762 | 82% | 0.815 | S | S | * | * | trans | 77.8 | 108.5 | 175.7 | -57.3 | -58.6 | 134.4 | 0 | 0 | 115.3 | P126 | E124-P126 WeakPolarHBondContact O-CD 3.45Š| ||
| 125 | G | 55.8 | Low | 54.3 | Low | 77 Ų | 77 | 154.9 Ų | 154.9 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | -90.4 | 114.2 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 126 | P | 49.4 | Very low | 56.2 | Low | 107 Ų | 107 | 149.4 Ų | 149.4 | 70% | 0.695 | 79% | 0.786 | S | S | * | * | trans | -82.6 | 144.3 | 169.6 | 32.6 | -32 | 0 | 0 | 0 | 110.3 | E124 R128 | E124-P126 WeakPolarHBondContact O-CD 3.45Å; P126-R128 PolarHBondContact O-N 2.9Å | ||
| 127 | R | 54.3 | Low | 57.8 | Low | 249 Ų | 249 | 142 Ų | 142 | 94% | 0.94 | 77% | 0.77 | S | S | * | * | trans | -53.2 | 106.4 | 164.4 | -70.8 | 175.7 | 175 | 160.9 | -2.3 | 108.1 | R129 | R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 2.77Å | ||
| 128 | R | 54.4 | Low | 59.7 | Low | 233 Ų | 233 | 143 Ų | 143 | 88% | 0.879 | 75% | 0.752 | S | S | * | * | trans | -65.5 | 93.6 | 178.9 | -73.9 | -174.3 | 177.3 | 176.9 | 0.3 | 109.3 | P126 A130 | P126-R128 PolarHBondContact O-N 2.9Å; R128-A130 PolarHBondContact O-N 3.01Å | ||
| 129 | R | 57.5 | Low | 61.3 | Low | 237 Ų | 237 | 136.7 Ų | 136.7 | 89% | 0.894 | 72% | 0.719 | S | S | * | * | trans | -47.7 | 129.5 | 146.2 | -85.5 | -178.3 | 167 | 167.5 | -4.1 | 105.9 | R127 H131 | R127-R129 VanDerWaalsContact C-N 3.34Å; R127-R129 PolarHBondContact O-N 2.77Å; R129-H131 PolarHBondContact O-N 2.78Å | ||
| 130 | A | 60.8 | Low | 63.3 | Low | 89 Ų | 89 | 140.9 Ų | 140.9 | 74% | 0.736 | 72% | 0.716 | S | S | * | * | trans | -56.4 | 108.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 107.4 | R128 L132 | R128-A130 PolarHBondContact O-N 3.01Å; A130-L132 PolarHBondContact O-N 3.2Å; A130-L132 VanDerWaalsContact O-N 3.16Å | ||
| 131 | H | 64.8 | Low | 65.4 | Low | 153 Ų | 153 | 141.7 Ų | 141.7 | 71% | 0.708 | 70% | 0.696 | S | S | * | * | trans | -69 | 114.4 | 178.3 | -168.9 | -103.8 | 0 | 0 | 0 | 105.8 | R129 D133 | R129-H131 PolarHBondContact O-N 2.78Å; H131-D133 VanDerWaalsContact C-N 3.32Å; H131-D133 IonicContact CE1-OD1 2.87Å; H131-D133 PolarHBondContact CE1-OD1 2.9Å; H131-D133 IonicContact CG-OD1 3.68Å; H131-D133 IonicContact ND1-OD1 3.54Å; H131-D133 PolarHBondContact ND1-OD1 3.35Å; H131-D133 PolarHBondContact O-N 3.18Å | ||
| 132 | L | 75.6 | Confident | 67.1 | Low | 147 Ų | 147 | 138 Ų | 138 | 77% | 0.77 | 68% | 0.682 | S | S | * | * | trans | -75.5 | 94.3 | 177.4 | -66.4 | 177.4 | 0 | 0 | 0 | 107 | A130 I134 | A130-L132 PolarHBondContact O-N 3.2Å; A130-L132 VanDerWaalsContact O-N 3.16Å; L132-I134 PolarHBondContact O-N 2.95Å | ||
| 133 | D | 75.3 | Confident | 69.5 | Low | 105 Ų | 105 | 129.8 Ų | 129.8 | 56% | 0.561 | 66% | 0.658 | S | S | * | * | trans | -70.1 | 81.5 | 178.3 | -67.4 | -46.6 | 0 | 0 | 0 | 109.9 | H131 G135 | H131-D133 VanDerWaalsContact C-N 3.32Å; H131-D133 IonicContact CE1-OD1 2.87Å; H131-D133 PolarHBondContact CE1-OD1 2.9Å; H131-D133 IonicContact CG-OD1 3.68Å; H131-D133 IonicContact ND1-OD1 3.54Å; H131-D133 PolarHBondContact ND1-OD1 3.35Å; H131-D133 PolarHBondContact O-N 3.18Å; D133-G135 PolarHBondContact O-N 2.89Å | ||
| 134 | I | 82.4 | Confident | 71.7 | Confident | 160 Ų | 160 | 125.7 Ų | 125.7 | 82% | 0.821 | 64% | 0.64 | S | S | * | * | trans | -69.5 | 102.8 | 173.8 | -58.7 | 174.5 | 0 | 0 | 0 | 107.8 | L132 | L132-I134 PolarHBondContact O-N 2.95Š| ||
| 135 | G | 79.8 | Confident | 74.5 | Confident | 40 Ų | 40 | 120.1 Ų | 120.1 | 41% | 0.412 | 62% | 0.619 | S | S | . | * | P | Polyproline II helix | trans | -63.9 | 158.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | D133 | D133-G135 PolarHBondContact O-N 2.89Š|
| 136 | L | 81.4 | Confident | 76.3 | Confident | 128 Ų | 128 | 119.1 Ų | 119.1 | 67% | 0.67 | 59% | 0.594 | S | S | * | * | P | Polyproline II helix | trans | -55.6 | 141.1 | 172.9 | -64.2 | 174.5 | 0 | 0 | 0 | 110.8 | R138 | L136-R138 WeakPolarHBondContact O-CG 3.39Š|
| 137 | P | 78.8 | Confident | 78.5 | Confident | 92 Ų | 92 | 115.7 Ų | 115.7 | 60% | 0.597 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -64.4 | 144.3 | -177.3 | -13.3 | 25.9 | 0 | 0 | 0 | 111.3 | F140 | P137-F140 HydrophobicContact CB-CE1 4.43Å; P137-F140 HydrophobicContact CB-CE2 3.67Å; P137-F140 HydrophobicContact CB-CZ 3.56Å; P137-F140 HydrophobicContact CG-CE2 4.29Å; P137-F140 HydrophobicContact CG-CZ 3.94Å |
| 138 | R | 76.7 | Confident | 80.3 | Confident | 123 Ų | 123 | 106.8 Ų | 106.8 | 46% | 0.464 | 54% | 0.541 | S | S | . | . | trans | -121.6 | 162.9 | -173.7 | -56.6 | -172.9 | -174.5 | -177.4 | 3.5 | 109.6 | L136 F140 | L136-R138 WeakPolarHBondContact O-CG 3.39Å; R138-F140 VanDerWaalsContact C-N 3.28Å; R138-F140 PolarHBondContact O-N 3.2Å | ||
| 139 | D | 79.1 | Confident | 81.9 | Confident | 52 Ų | 52 | 99 Ų | 99 | 28% | 0.278 | 52% | 0.519 | S | S | . | . | trans | 53.2 | 40.5 | 174 | -51.1 | -21.1 | 0 | 0 | 0 | 115.1 | N75 N76 R141 | N75-D139 WeakPolarHBondContact CB-OD1 3.37Å; N75-D139 PolarHBondContact ND2-N 3.32Å; N75-D139 PolarHBondContact ND2-OD1 3.31Å; N75-D139 PolarHBondContact OD1-OD1 3.03Å; N76-D139 PolarHBondContact ND2-OD1 2.94Å; D139-R141 WeakPolarHBondContact O-CG 3.3Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 VanDerWaalsContact O-N 3.08Å | ||
| 140 | F | 81.3 | Confident | 83.5 | Confident | 162 Ų | 162 | 93.4 Ų | 93.4 | 71% | 0.711 | 51% | 0.507 | S | S | * | . | trans | -56 | 113.6 | 169.5 | -77.2 | -78.9 | 0 | 0 | 0 | 110.5 | P137 R138 | P137-F140 HydrophobicContact CB-CE1 4.43Å; P137-F140 HydrophobicContact CB-CE2 3.67Å; P137-F140 HydrophobicContact CB-CZ 3.56Å; P137-F140 HydrophobicContact CG-CE2 4.29Å; P137-F140 HydrophobicContact CG-CZ 3.94Å; R138-F140 VanDerWaalsContact C-N 3.28Å; R138-F140 PolarHBondContact O-N 3.2Å | ||
| 141 | R | 84.4 | Confident | 84.9 | Confident | 127 Ų | 127 | 96 Ų | 96 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | trans | -140.8 | 131.1 | -179.4 | 61.1 | -160.2 | 170.7 | -145.6 | -10.5 | 109.9 | D139 V143 | D139-R141 WeakPolarHBondContact O-CG 3.3Å; D139-R141 PolarHBondContact O-N 2.83Å; D139-R141 VanDerWaalsContact O-N 3.08Å; R141-V143 PolarHBondContact O-N 2.83Å | ||
| 142 | P | 89 | Confident | 86.2 | Confident | 89 Ų | 89 | 89.6 Ų | 89.6 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | trans | -69 | 119.7 | -177.9 | 28 | -33.1 | 0 | 0 | 0 | 108.8 | H162 H164 | P142-H162 WeakPolarHBondContact O-CB 3.44Å; P142-H164 PolarHBondContact O-NE2 3.46Å | ||
| 143 | V | 92.1 | Very high | 87 | Confident | 66 Ų | 66 | 86.3 Ų | 86.3 | 40% | 0.4 | 47% | 0.467 | S | S | . | . | trans | -86.2 | -50.6 | -176.3 | -179 | 0 | 0 | 0 | 0 | 110.9 | R141 H162 L203 T207 | R141-V143 PolarHBondContact O-N 2.83Å; V143-H162 PolarHBondContact O-N 3.34Å; V143-L203 HydrophobicContact CG1-CD1 3.44Å; V143-L203 VanDerWaalsContact CG1-CD1 3.44Å; V143-T207 HydrophobicContact CG1-CG2 4.16Å | ||
| 144 | S | 94.8 | Very high | 87.7 | Confident | 41 Ų | 41 | 89.9 Ų | 89.9 | 29% | 0.287 | 48% | 0.48 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155 | 159.9 | -178.2 | 59.8 | 0 | 0 | 0 | 0 | 112.7 | R160 T207 | S144-R160 CarbonylContact C-O 3.4Å; S144-R160 WeakPolarHBondContact CA-O 3.04Å; S144-R160 WeakPolarHBondContact CB-O 3.41Å; S144-T207 VanDerWaalsContact CB-CG2 3.46Å; S144-T207 WeakPolarHBondContact OG-CG2 3.4Å |
| 145 | S | 95.8 | Very high | 88.1 | Confident | 46 Ų | 46 | 85.2 Ų | 85.2 | 32% | 0.322 | 46% | 0.459 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -152.2 | 143.2 | 171.6 | 57.7 | 0 | 0 | 0 | 0 | 111.1 | R160 | S145-R160 PolarHBondContact N-O 3.33Å; S145-R160 PolarHBondContact O-N 2.94Å |
| 146 | I | 95.4 | Very high | 88.8 | Confident | 55 Ų | 55 | 85.4 Ų | 85.4 | 28% | 0.282 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134.2 | 160.6 | -49.6 | 177.6 | 0 | 0 | 0 | 107.3 | V149 R157 R158 L209 V256 | I146-V149 HydrophobicContact CB-CG2 4.4Å; I146-V149 HydrophobicContact CG2-CG2 3.62Å; I146-R157 HydrophobicContact CG2-CG 3.99Å; I146-R158 WeakPolarHBondContact CA-O 3.41Å; I146-L209 HydrophobicContact CD1-CD2 3.87Å; I146-L209 HydrophobicContact CG1-CD1 4.04Å; I146-L209 HydrophobicContact CG1-CD2 3.79Å; I146-V256 HydrophobicContact CD1-CG2 3.75Å |
| 147 | I | 94.4 | Very high | 89.4 | Confident | 36 Ų | 36 | 79.9 Ų | 79.9 | 19% | 0.185 | 42% | 0.42 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 166.5 | 178.2 | 66.3 | 173.5 | 0 | 0 | 0 | 110.2 | V149 R158 R160 I244 | I147-V149 PolarHBondContact O-N 3.13Å; I147-R158 HydrophobicContact CD1-CG 3.92Å; I147-R158 HydrophobicContact CG1-CB 3.94Å; I147-R158 HydrophobicContact CG1-CG 3.61Å; I147-R158 PolarHBondContact N-O 3.3Å; I147-R160 HydrophobicContact CG2-CB 4.29Å; I147-I244 HydrophobicContact CD1-CD1 4.22Å; I147-I244 HydrophobicContact CD1-CG1 4.35Å; I147-I244 HydrophobicContact CD1-CG2 3.81Å |
| 148 | D | 92.2 | Very high | 90.3 | Very high | 61 Ų | 61 | 77.8 Ų | 77.8 | 33% | 0.326 | 40% | 0.4 | S | S | . | . | trans | 54.4 | 27.5 | 170.9 | -55.9 | -19.6 | 0 | 0 | 0 | 115.2 | D150 L151 V152 R158 | D148-D150 PolarHBondContact O-N 2.88Å; D148-D150 VanDerWaalsContact O-N 3.12Å; D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 HydrophobicContact CB-CD1 4.38Å; D148-L151 PolarHBondContact O-N 3.33Å; D148-V152 HydrophobicContact CB-CG1 4.23Å; D148-V152 PolarHBondContact O-N 2.9Å; D148-R158 WeakPolarHBondContact OD2-CD 3.18Å; D148-R158 IonicContact OD2-CZ 3.07Å; D148-R158 IonicContact OD2-NE 2.71Å; D148-R158 IonicContact OD2-NH1 2.69Å; D148-R158 PolarHBondContact OD2-NH1 2.68Å | ||
| 149 | V | 88.6 | Confident | 91.2 | Very high | 69 Ų | 69 | 72 Ų | 72 | 42% | 0.418 | 38% | 0.378 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -34.8 | -174.8 | 178.4 | 0 | 0 | 0 | 0 | 113.1 | I146 I147 | I146-V149 HydrophobicContact CB-CG2 4.4Å; I146-V149 HydrophobicContact CG2-CG2 3.62Å; I147-V149 PolarHBondContact O-N 3.13Å |
| 150 | D | 90.1 | Very high | 92.1 | Very high | 121 Ų | 121 | 73.5 Ų | 73.5 | 65% | 0.647 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.8 | 4.4 | -178.5 | -51.2 | -71.5 | 0 | 0 | 0 | 112.8 | D148 R258 | D148-D150 PolarHBondContact O-N 2.88Å; D148-D150 VanDerWaalsContact O-N 3.12Å; D150-R258 IonicContact OD1-CZ 3.56Å; D150-R258 VanDerWaalsContact OD1-CZ 3.23Å; D150-R258 IonicContact OD1-NH1 3.23Å; D150-R258 PolarHBondContact OD1-NH1 2.76Å; D150-R258 IonicContact OD1-NH2 2.72Å; D150-R258 PolarHBondContact OD1-NH2 3.12Å; D150-R258 IonicContact OD2-NH2 3.54Å; D150-R258 PolarHBondContact OD2-NH2 3.26Å; D150-R258 VanDerWaalsContact OD2-NH2 3.07Å |
| 151 | L | 91.5 | Very high | 92.8 | Very high | 144 Ų | 144 | 65.8 Ų | 65.8 | 75% | 0.754 | 35% | 0.346 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.7 | -34 | 179.8 | -61.6 | 176.8 | 0 | 0 | 0 | 113.1 | D148 | D148-L151 HydrophobicContact CB-CB 4.21Å; D148-L151 HydrophobicContact CB-CD1 4.38Å; D148-L151 PolarHBondContact O-N 3.33Å |
| 152 | V | 91.9 | Very high | 93.2 | Very high | 17 Ų | 17 | 61.2 Ų | 61.2 | 10% | 0.103 | 33% | 0.33 | C | S | . | . | S | Bend | trans | -82.8 | 148.4 | 171.1 | -56.4 | 0 | 0 | 0 | 0 | 110 | D148 H156 R158 | D148-V152 HydrophobicContact CB-CG1 4.23Å; D148-V152 PolarHBondContact O-N 2.9Å; V152-H156 HydrophobicContact CB-CB 4.36Å; V152-H156 HydrophobicContact CG2-CB 4.35Å; V152-R158 HydrophobicContact CG1-CB 4.22Å |
| 153 | P | 92.9 | Very high | 93.3 | Very high | 79 Ų | 79 | 59 Ų | 59 | 51% | 0.513 | 31% | 0.31 | S | S | . | . | trans | -60.5 | 148.1 | 176.1 | -19.9 | 29.9 | 0 | 0 | 0 | 111.6 | T155 H156 | P153-T155 PolarHBondContact O-N 2.99Å; P153-H156 WeakPolarHBondContact CB-ND1 3.21Å; P153-H156 WeakPolarHBondContact CG-ND1 3.26Å; P153-H156 WeakPolarHBondContact O-CA 3.34Å; P153-H156 WeakPolarHBondContact O-CB 3.19Å; P153-H156 PolarHBondContact O-N 3.49Å | ||
| 154 | E | 89.1 | Confident | 93 | Very high | 179 Ų | 179 | 58.4 Ų | 58.4 | 84% | 0.836 | 30% | 0.303 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57 | -23.5 | -174.8 | -58.8 | -176.9 | 162.9 | 0 | 0 | 114.8 | H156 N255 | E154-H156 PolarHBondContact O-N 2.72Å; E154-N255 PolarHBondContact O-ND2 2.77Å |
| 155 | T | 90.9 | Very high | 91.9 | Very high | 62 Ų | 62 | 58.9 Ų | 58.9 | 38% | 0.38 | 31% | 0.314 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -4.4 | 173.9 | 58.7 | 0 | 0 | 0 | 0 | 113.7 | P153 P249 | P153-T155 PolarHBondContact O-N 2.99Å; T155-P249 WeakPolarHBondContact O-CD 3.38Å |
| 156 | H | 93.4 | Very high | 90 | Very high | 44 Ų | 44 | 61.3 Ų | 61.3 | 20% | 0.204 | 33% | 0.33 | C | S | . | . | trans | -120.7 | 159.6 | -175.8 | -56.5 | 115.5 | 0 | 0 | 0 | 111.4 | V152 P153 E154 L217 T246 V247 | V152-H156 HydrophobicContact CB-CB 4.36Å; V152-H156 HydrophobicContact CG2-CB 4.35Å; P153-H156 WeakPolarHBondContact CB-ND1 3.21Å; P153-H156 WeakPolarHBondContact CG-ND1 3.26Å; P153-H156 WeakPolarHBondContact O-CA 3.34Å; P153-H156 WeakPolarHBondContact O-CB 3.19Å; P153-H156 PolarHBondContact O-N 3.49Å; E154-H156 PolarHBondContact O-N 2.72Å; H156-L217 WeakPolarHBondContact CD2-CD1 3.41Å; H156-L217 WeakPolarHBondContact NE2-CD1 3.33Å; H156-T246 HydrophobicContact CB-CG2 4.36Å; H156-V247 CarbonylContact C-O 3.49Å; H156-V247 VanDerWaalsContact CA-O 3.27Å; H156-V247 WeakPolarHBondContact CA-O 3.43Å | ||
| 157 | R | 94.8 | Very high | 88.6 | Confident | 12 Ų | 12 | 67.1 Ų | 67.1 | 5% | 0.045 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.5 | 121.4 | 176.4 | -173.2 | -169.2 | -58 | -167 | -3.7 | 108.8 | I146 V159 L209 T246 V247 P249 N254 N255 | I146-R157 HydrophobicContact CG2-CG 3.99Å; R157-V159 VanDerWaalsContact CD-CG2 3.49Å; R157-V159 HydrophobicContact CG-CG2 3.69Å; R157-L209 WeakPolarHBondContact CD-O 3.34Å; R157-L209 PolarHBondContact NH1-O 3.22Å; R157-T246 WeakPolarHBondContact O-CA 3.39Å; R157-V247 HydrophobicContact CB-CG2 4.18Å; R157-V247 PolarHBondContact N-O 3.05Å; R157-V247 PolarHBondContact O-N 3.06Å; R157-P249 HydrophobicContact CB-CG 4.14Å; R157-N254 PolarHBondContact NH2-O 3.08Å; R157-N255 VanDerWaalsContact NH2-CA 3.28Å; R157-N255 PolarHBondContact NH2-OD1 3.08Å |
| 158 | R | 96.8 | Very high | 88 | Confident | 49 Ų | 49 | 73.2 Ų | 73.2 | 19% | 0.185 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 113.1 | 170.1 | -166.3 | 173.9 | -78.1 | 164.6 | -4.2 | 109.1 | I146 I147 D148 V152 E218 I244 V245 T246 | I146-R158 WeakPolarHBondContact CA-O 3.41Å; I147-R158 HydrophobicContact CD1-CG 3.92Å; I147-R158 HydrophobicContact CG1-CB 3.94Å; I147-R158 HydrophobicContact CG1-CG 3.61Å; I147-R158 PolarHBondContact N-O 3.3Å; D148-R158 WeakPolarHBondContact OD2-CD 3.18Å; D148-R158 IonicContact OD2-CZ 3.07Å; D148-R158 IonicContact OD2-NE 2.71Å; D148-R158 IonicContact OD2-NH1 2.69Å; D148-R158 PolarHBondContact OD2-NH1 2.68Å; V152-R158 HydrophobicContact CG1-CB 4.22Å; R158-E218 IonicContact CZ-OE2 2.85Å; R158-E218 IonicContact NE-OE2 3.51Å; R158-E218 IonicContact NH2-OE1 2.73Å; R158-E218 IonicContact NH2-OE2 3.22Å; R158-E218 PolarHBondContact NH2-OE2 3.23Å; R158-I244 HydrophobicContact CG-CG2 3.7Å; R158-V245 WeakPolarHBondContact CA-O 3.46Å; R158-T246 WeakPolarHBondContact CG-OG1 3.46Å; R158-T246 PolarHBondContact NE-OG1 3.35Å |
| 159 | V | 96.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 73 Ų | 73 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 129.6 | -176.4 | -179.1 | 0 | 0 | 0 | 0 | 108.9 | R157 L161 L209 L210 I244 V245 | R157-V159 VanDerWaalsContact CD-CG2 3.49Å; R157-V159 HydrophobicContact CG-CG2 3.69Å; V159-L161 HydrophobicContact CG1-CD2 3.85Å; V159-L161 HydrophobicContact CG1-CG 4.17Å; V159-L209 HydrophobicContact CG1-CB 3.84Å; V159-L209 HydrophobicContact CG1-CD1 3.83Å; V159-L209 HydrophobicContact CG2-CB 4.02Å; V159-L210 HydrophobicContact CB-CD2 4.3Å; V159-L210 HydrophobicContact CG2-CD2 3.98Å; V159-I244 CarbonylContact O-C 3.58Å; V159-I244 WeakPolarHBondContact O-CA 3.41Å; V159-V245 HydrophobicContact CB-CG1 4.14Å; V159-V245 PolarHBondContact N-O 2.78Å; V159-V245 PolarHBondContact O-N 3.48Å |
| 160 | R | 97.4 | Very high | 88 | Confident | 85 Ų | 85 | 69.7 Ų | 69.7 | 32% | 0.321 | 36% | 0.363 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 127.5 | 169.4 | -171.7 | 173.2 | -168.1 | 170.9 | 8.8 | 109.6 | S144 S145 I147 H162 N242 L243 I244 | S144-R160 CarbonylContact C-O 3.4Å; S144-R160 WeakPolarHBondContact CA-O 3.04Å; S144-R160 WeakPolarHBondContact CB-O 3.41Å; S145-R160 PolarHBondContact N-O 3.33Å; S145-R160 PolarHBondContact O-N 2.94Å; I147-R160 HydrophobicContact CG2-CB 4.29Å; R160-H162 PolarHBondContact NE-NE2 3.41Å; R160-N242 VanDerWaalsContact CZ-OD1 3.3Å; R160-N242 PolarHBondContact NE-OD1 3.14Å; R160-N242 PolarHBondContact NH2-ND2 3.03Å; R160-N242 VanDerWaalsContact NH2-ND2 3.13Å; R160-N242 PolarHBondContact NH2-OD1 2.82Å; R160-L243 CarbonylContact C-O 3.58Å; R160-L243 VanDerWaalsContact CA-O 3.3Å; R160-L243 WeakPolarHBondContact CA-O 3.5Å; R160-I244 HydrophobicContact CB-CG1 4.21Å; R160-I244 HydrophobicContact CG-CG1 3.85Å |
| 161 | L | 95.9 | Very high | 88.2 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 133.2 | 175.4 | -60 | -178.4 | 0 | 0 | 0 | 109.8 | V159 F172 L203 A204 T207 L210 L243 | V159-L161 HydrophobicContact CG1-CD2 3.85Å; V159-L161 HydrophobicContact CG1-CG 4.17Å; L161-F172 HydrophobicContact CD1-CE1 4.34Å; L161-L203 HydrophobicContact CB-CD2 4.48Å; L161-A204 HydrophobicContact CD1-CB 4.36Å; L161-T207 HydrophobicContact CD2-CG2 3.92Å; L161-L210 HydrophobicContact CD1-CD1 4Å; L161-L243 HydrophobicContact CB-CB 4.49Å; L161-L243 PolarHBondContact N-O 2.79Å; L161-L243 PolarHBondContact O-N 3.46Å |
| 162 | H | 93.3 | Very high | 88.5 | Confident | 30 Ų | 30 | 57.1 Ų | 57.1 | 14% | 0.139 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.2 | 115.6 | 173.7 | -61.8 | 88.8 | 0 | 0 | 0 | 109.1 | P142 V143 R160 H164 N242 | P142-H162 WeakPolarHBondContact O-CB 3.44Å; V143-H162 PolarHBondContact O-N 3.34Å; R160-H162 PolarHBondContact NE-NE2 3.41Å; H162-H164 WeakPolarHBondContact CB-NE2 3.35Å; H162-H164 PolarHBondContact O-CD2 3.13Å; H162-H164 VanDerWaalsContact O-CD2 3.27Å; H162-H164 PolarHBondContact O-N 3.45Å; H162-N242 PolarHBondContact CD2-ND2 3.38Å; H162-N242 PolarHBondContact NE2-ND2 2.99Å |
| 163 | R | 91.3 | Very high | 88.7 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 16% | 0.158 | 30% | 0.295 | C | S | . | . | trans | -88.5 | 105.9 | 179.8 | 177.5 | -168.7 | -179.4 | -138.9 | -9.4 | 109.6 | C166 K168 L170 L203 S240 H241 | R163-C166 PolarHBondContact NH2-O 3.39Å; R163-K168 PolarHBondContact NE-O 3.22Å; R163-K168 PolarHBondContact NH2-O 2.79Å; R163-L170 HydrophobicContact CB-CD2 4.45Å; R163-L203 HydrophobicContact CB-CD2 4.23Å; R163-S240 WeakPolarHBondContact CB-O 3.2Å; R163-S240 WeakPolarHBondContact CD-O 3.46Å; R163-S240 PolarHBondContact NH1-OG 2.89Å; R163-H241 PolarHBondContact N-O 3.19Å | ||
| 164 | H | 84.9 | Confident | 89 | Confident | 55 Ų | 55 | 54 Ų | 54 | 26% | 0.255 | 27% | 0.273 | S | S | . | . | trans | -92.1 | 127.7 | 179 | -63.2 | -70.7 | 0 | 0 | 0 | 111.3 | P142 H162 | P142-H164 PolarHBondContact O-NE2 3.46Å; H162-H164 WeakPolarHBondContact CB-NE2 3.35Å; H162-H164 PolarHBondContact O-CD2 3.13Å; H162-H164 VanDerWaalsContact O-CD2 3.27Å; H162-H164 PolarHBondContact O-N 3.45Å | ||
| 165 | G | 72.5 | Confident | 89.4 | Confident | 50 Ų | 50 | 49.7 Ų | 49.7 | 52% | 0.515 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 86.1 | 149.9 | -174.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | E167 | G165-E167 PolarHBondContact O-N 3.1Š|
| 166 | C | 56 | Low | 89.7 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 66% | 0.662 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -73.5 | -23.5 | -160.5 | -39.4 | 0 | 0 | 0 | 0 | 115.3 | R163 | R163-C166 PolarHBondContact NH2-O 3.39Š|
| 167 | E | 66.6 | Low | 89.7 | Confident | 177 Ų | 177 | 50.3 Ų | 50.3 | 83% | 0.827 | 26% | 0.258 | S | S | * | . | S | Bend | trans | -123.2 | -14.8 | -160.1 | -63.6 | -174.7 | 179.1 | 0 | 0 | 115.4 | G165 | G165-E167 PolarHBondContact O-N 3.1Š|
| 168 | K | 80.6 | Confident | 89.6 | Confident | 163 Ų | 163 | 52.8 Ų | 52.8 | 71% | 0.709 | 28% | 0.281 | S | S | * | . | trans | -75.2 | 129.5 | -179.3 | -70.5 | -169.7 | 175.3 | -171.3 | 0 | 111.2 | R163 | R163-K168 PolarHBondContact NE-O 3.22Å; R163-K168 PolarHBondContact NH2-O 2.79Å | ||
| 169 | P | 89.3 | Confident | 89.4 | Confident | 56 Ų | 56 | 50.7 Ų | 50.7 | 36% | 0.364 | 27% | 0.274 | S | S | . | . | trans | -61 | 166.4 | 175 | 19.9 | -29.9 | 0 | 0 | 0 | 113 | G171 L376 | P169-G171 PolarHBondContact O-N 3.09Å; P169-L376 WeakPolarHBondContact CB-O 3.44Å; P169-L376 WeakPolarHBondContact CB-OXT 3.32Å | ||
| 170 | L | 92.8 | Very high | 89.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | trans | -65.5 | -23.3 | 171.9 | -72.3 | 170 | 0 | 0 | 0 | 112.2 | R163 F172 L203 A204 L243 L376 | R163-L170 HydrophobicContact CB-CD2 4.45Å; L170-F172 HydrophobicContact CB-CD1 3.99Å; L170-F172 HydrophobicContact CB-CE1 3.78Å; L170-F172 HydrophobicContact CD1-CE1 4.15Å; L170-L203 HydrophobicContact CD2-CD2 4.17Å; L170-L203 WeakPolarHBondContact O-CB 3.23Å; L170-A204 WeakPolarHBondContact O-CB 3.37Å; L170-A204 PolarHBondContact O-N 3.24Å; L170-L243 HydrophobicContact CD1-CD2 3.71Å; L170-L243 HydrophobicContact CD2-CD2 4.48Å; L170-L376 PolarHBondContact N-OXT 3.28Å | ||
| 171 | G | 94.1 | Very high | 88.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 83 | 26 | 168.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | P169 V199 | P169-G171 PolarHBondContact O-N 3.09Å; G171-V199 PolarHBondContact O-N 2.83Å |
| 172 | F | 96.8 | Very high | 88.3 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 0% | 0.004 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.4 | 162.2 | 168 | 71.3 | -81.6 | 0 | 0 | 0 | 109.3 | L161 L170 I174 I195 R197 M198 A204 L210 M236 L243 | L161-F172 HydrophobicContact CD1-CE1 4.34Å; L170-F172 HydrophobicContact CB-CD1 3.99Å; L170-F172 HydrophobicContact CB-CE1 3.78Å; L170-F172 HydrophobicContact CD1-CE1 4.15Å; F172-I174 HydrophobicContact CD2-CG2 4.31Å; F172-I174 HydrophobicContact CE2-CG2 4Å; F172-I195 HydrophobicContact CB-CG2 4.32Å; F172-I195 HydrophobicContact CD2-CD1 4.06Å; F172-I195 HydrophobicContact CD2-CG1 4.12Å; F172-I195 HydrophobicContact CD2-CG2 4.34Å; F172-I195 HydrophobicContact CE2-CD1 4.44Å; F172-R197 CarbonylContact C-O 3.58Å; F172-R197 WeakPolarHBondContact CA-O 3.5Å; F172-M198 HydrophobicContact CB-CE 4.15Å; F172-M198 HydrophobicContact CB-SD 3.78Å; F172-A204 HydrophobicContact CB-CB 4Å; F172-A204 HydrophobicContact CD1-CB 3.51Å; F172-A204 HydrophobicContact CE1-CB 4.36Å; F172-A204 HydrophobicContact CG-CB 4.11Å; F172-L210 HydrophobicContact CD1-CD1 4.42Å; F172-L210 HydrophobicContact CE1-CD1 4.28Å; F172-M236 HydrophobicContact CE2-CE 4.34Å; F172-M236 HydrophobicContact CE2-SD 3.93Å; F172-M236 HydrophobicContact CZ-CE 4.47Å; F172-M236 HydrophobicContact CZ-SD 3.85Å; F172-L243 HydrophobicContact CE1-CD2 4.27Å; F172-L243 HydrophobicContact CZ-CD2 4.1Å |
| 173 | Y | 97.3 | Very high | 88 | Confident | 18 Ų | 18 | 61.2 Ų | 61.2 | 7% | 0.071 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 151.1 | -176.1 | -69.9 | -115.5 | 0 | 0 | 0 | 108.8 | I195 S196 R197 V199 V374 T375 | Y173-I195 CarbonylContact O-C 3.6Å; Y173-I195 VanDerWaalsContact O-CA 3.29Å; Y173-I195 WeakPolarHBondContact O-CA 3.37Å; Y173-S196 WeakPolarHBondContact CB-OG 3.48Å; Y173-S196 PolarHBondContact O-N 3.18Å; Y173-S196 PolarHBondContact O-OG 2.81Å; Y173-R197 HydrophobicContact CD1-CG 4.24Å; Y173-R197 HydrophobicContact CD2-CG 3.48Å; Y173-R197 VanDerWaalsContact CD2-CG 3.48Å; Y173-R197 HydrophobicContact CE2-CG 4.29Å; Y173-R197 HydrophobicContact CG-CG 3.49Å; Y173-R197 VanDerWaalsContact CG-CG 3.49Å; Y173-R197 PolarHBondContact N-O 3.35Å; Y173-R197 PolarHBondContact OH-NH2 2.86Å; Y173-V199 HydrophobicContact CD2-CG2 4.33Å; Y173-V199 HydrophobicContact CE2-CG2 3.58Å; Y173-V374 WeakPolarHBondContact CD1-O 3.43Å; Y173-V374 WeakPolarHBondContact CE1-O 3.45Å; Y173-T375 VanDerWaalsContact CE1-CA 3.42Å; Y173-T375 HydrophobicContact CE1-CG2 4.33Å; Y173-T375 WeakPolarHBondContact CE1-OG1 3.33Å; Y173-T375 WeakPolarHBondContact OH-CG2 3.39Å; Y173-T375 PolarHBondContact OH-OG1 2.85Å; Y173-T375 VanDerWaalsContact OH-OG1 3.13Å |
| 174 | I | 97.9 | Very high | 87.9 | Confident | 11 Ų | 11 | 65.4 Ų | 65.4 | 6% | 0.056 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 163.5 | 174.4 | 55.8 | 174.9 | 0 | 0 | 0 | 111.3 | F172 I193 F194 S196 V216 L229 V232 M236 L376 | F172-I174 HydrophobicContact CD2-CG2 4.31Å; F172-I174 HydrophobicContact CE2-CG2 4Å; I174-I193 HydrophobicContact CB-CG2 3.83Å; I174-I193 HydrophobicContact CD1-CG2 3.99Å; I174-I193 HydrophobicContact CG1-CG2 4.43Å; I174-I193 HydrophobicContact CG2-CG2 4.1Å; I174-F194 CarbonylContact C-O 3.59Å; I174-F194 VanDerWaalsContact CA-O 3.24Å; I174-F194 WeakPolarHBondContact CA-O 3.34Å; I174-S196 PolarHBondContact O-OG 2.87Å; I174-V216 HydrophobicContact CG2-CG2 4.39Å; I174-L229 HydrophobicContact CB-CD1 4.26Å; I174-L229 HydrophobicContact CD1-CD1 3.87Å; I174-L229 HydrophobicContact CG1-CD1 3.79Å; I174-V232 HydrophobicContact CD1-CB 4.36Å; I174-V232 HydrophobicContact CD1-CG1 3.94Å; I174-M236 HydrophobicContact CD1-CE 4.43Å; I174-M236 HydrophobicContact CD1-SD 4.2Å; I174-M236 HydrophobicContact CG2-CE 4.2Å; I174-M236 HydrophobicContact CG2-SD 4.33Å; I174-L376 HydrophobicContact CD1-CD1 4.25Å; I174-L376 HydrophobicContact CG1-CD1 3.96Å |
| 175 | R | 97.6 | Very high | 87.9 | Confident | 90 Ų | 90 | 70.6 Ų | 70.6 | 34% | 0.34 | 40% | 0.396 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.2 | 159.8 | 172.9 | 63.2 | 177.9 | 174.9 | 75.7 | -1.2 | 110 | F194 N213 | R175-F194 HydrophobicContact CG-CB 4.23Å; R175-F194 PolarHBondContact N-O 3.03Å; R175-F194 PolarHBondContact O-N 3.17Å; R175-N213 PolarHBondContact NH2-OD1 2.87Å |
| 176 | D | 96.8 | Very high | 88.9 | Confident | 91 Ų | 91 | 69.8 Ų | 69.8 | 49% | 0.487 | 39% | 0.388 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.9 | 159 | 162.8 | -66 | -56.1 | 0 | 0 | 0 | 111.9 | I193 | D176-I193 WeakPolarHBondContact OD1-CD1 2.95Å |
| 177 | G | 94.6 | Very high | 90.6 | Very high | 27 Ų | 27 | 71.7 Ų | 71.7 | 28% | 0.278 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -171.3 | -176.8 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | G192 | G177-G192 PolarHBondContact N-O 3.15Å; G177-G192 PolarHBondContact O-N 3.11Å |
| 178 | A | 93.2 | Very high | 91.9 | Very high | 64 Ų | 64 | 67.1 Ų | 67.1 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 122.1 | 174 | 0 | 0 | 0 | 0 | 0 | 110.1 | K189 V190 | A178-K189 HydrophobicContact CB-CB 4.41Å; A178-V190 CarbonylContact C-O 3.12Å; A178-V190 WeakPolarHBondContact CA-O 3.38Å |
| 179 | S | 91.4 | Very high | 92.5 | Very high | 5 Ų | 5 | 67.6 Ų | 67.6 | 4% | 0.035 | 37% | 0.371 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 134.8 | 166.7 | -170.9 | 0 | 0 | 0 | 0 | 109 | V190 E215 | S179-V190 PolarHBondContact N-O 3.12Å; S179-V190 WeakPolarHBondContact O-CG2 3.2Å; S179-V190 PolarHBondContact O-N 2.84Å; S179-E215 VanDerWaalsContact CB-OE1 3.29Å; S179-E215 WeakPolarHBondContact CB-OE1 3.47Å; S179-E215 PolarHBondContact OG-OE1 3.01Å; S179-E215 PolarHBondContact OG-OE2 2.87Å |
| 180 | V | 90.6 | Very high | 92.6 | Very high | 84 Ų | 84 | 66.7 Ų | 66.7 | 51% | 0.509 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 120.3 | 171.4 | -179.5 | 0 | 0 | 0 | 0 | 107.8 | L187 E188 K189 | V180-L187 HydrophobicContact CG1-CD2 3.97Å; V180-E188 WeakPolarHBondContact CA-O 3.17Å; V180-K189 HydrophobicContact CG2-CG 4.18Å |
| 181 | R | 88.8 | Confident | 92.7 | Very high | 96 Ų | 96 | 72 Ų | 72 | 36% | 0.362 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.7 | 151.1 | 179 | -64.6 | -166.3 | -178.2 | -170.8 | -0.1 | 111.1 | E188 V190 E215 | R181-E188 PolarHBondContact N-O 3.43Å; R181-E188 PolarHBondContact O-N 3.45Å; R181-V190 HydrophobicContact CB-CG2 4.33Å; R181-V190 HydrophobicContact CG-CG2 3.83Å; R181-E215 IonicContact CZ-OE1 3.01Å; R181-E215 IonicContact NE-OE1 3.1Å; R181-E215 IonicContact NH2-OE1 3.9Å; R181-E215 PolarHBondContact NH2-OE1 3.44Å |
| 182 | V | 88.6 | Confident | 92.8 | Very high | 124 Ų | 124 | 72.4 Ų | 72.4 | 75% | 0.752 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 112.3 | 167.1 | -178.1 | 0 | 0 | 0 | 0 | 107 | G186 L187 | V182-G186 WeakPolarHBondContact CA-O 3.36Å; V182-L187 HydrophobicContact CG2-CD2 3.78Å |
| 183 | T | 86.4 | Confident | 92.8 | Very high | 32 Ų | 32 | 72.5 Ų | 72.5 | 20% | 0.196 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 168.9 | 172.7 | 72.7 | 0 | 0 | 0 | 0 | 109.1 | H185 G186 E188 | T183-H185 PolarHBondContact O-N 3.1Å; T183-H185 PolarHBondContact OG1-N 3.31Å; T183-G186 PolarHBondContact N-O 3.11Å; T183-G186 PolarHBondContact O-N 2.75Å; T183-G186 PolarHBondContact OG1-O 3.03Å; T183-E188 VanDerWaalsContact CB-OE2 3.31Å; T183-E188 WeakPolarHBondContact CB-OE2 3.23Å; T183-E188 HydrophobicContact CG2-CB 4.09Å; T183-E188 HydrophobicContact CG2-CG 4.46Å; T183-E188 VanDerWaalsContact CG2-OE2 3.23Å; T183-E188 WeakPolarHBondContact CG2-OE2 3.47Å; T183-E188 PolarHBondContact OG1-OE2 2.73Å |
| 184 | P | 88.3 | Confident | 92.9 | Very high | 131 Ų | 131 | 72.8 Ų | 72.8 | 85% | 0.851 | 41% | 0.405 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.7 | -9.6 | 173.7 | -24.9 | 36.1 | 0 | 0 | 0 | 114.8 | ||
| 185 | H | 86.4 | Confident | 92.9 | Very high | 163 Ų | 163 | 72.3 Ų | 72.3 | 76% | 0.755 | 40% | 0.403 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -4.1 | 179 | -57.5 | -27.5 | 0 | 0 | 0 | 113.2 | T183 | T183-H185 PolarHBondContact O-N 3.1Å; T183-H185 PolarHBondContact OG1-N 3.31Å |
| 186 | G | 91.9 | Very high | 92.9 | Very high | 34 Ų | 34 | 69.6 Ų | 69.6 | 35% | 0.351 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 133.3 | -147.4 | 174 | 0 | 0 | 0 | 0 | 0 | 113.1 | V182 T183 | V182-G186 WeakPolarHBondContact CA-O 3.36Å; T183-G186 PolarHBondContact N-O 3.11Å; T183-G186 PolarHBondContact O-N 2.75Å; T183-G186 PolarHBondContact OG1-O 3.03Å |
| 187 | L | 93.2 | Very high | 92.8 | Very high | 137 Ų | 137 | 71 Ų | 71 | 72% | 0.717 | 40% | 0.396 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 108.7 | 171.7 | -79.3 | 163.5 | 0 | 0 | 0 | 109.2 | V180 V182 | V180-L187 HydrophobicContact CG1-CD2 3.97Å; V182-L187 HydrophobicContact CG2-CD2 3.78Å |
| 188 | E | 93.3 | Very high | 92.9 | Very high | 82 Ų | 82 | 71.2 Ų | 71.2 | 38% | 0.383 | 39% | 0.39 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 145.2 | -177.2 | -67.7 | -178.4 | 143.6 | 0 | 0 | 111.4 | V180 R181 T183 | V180-E188 WeakPolarHBondContact CA-O 3.17Å; R181-E188 PolarHBondContact N-O 3.43Å; R181-E188 PolarHBondContact O-N 3.45Å; T183-E188 VanDerWaalsContact CB-OE2 3.31Å; T183-E188 WeakPolarHBondContact CB-OE2 3.23Å; T183-E188 HydrophobicContact CG2-CB 4.09Å; T183-E188 HydrophobicContact CG2-CG 4.46Å; T183-E188 VanDerWaalsContact CG2-OE2 3.23Å; T183-E188 WeakPolarHBondContact CG2-OE2 3.47Å; T183-E188 PolarHBondContact OG1-OE2 2.73Å |
| 189 | K | 92.7 | Very high | 93 | Very high | 173 Ų | 173 | 70.1 Ų | 70.1 | 75% | 0.752 | 38% | 0.377 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -87.6 | 105.4 | 170.1 | -72.7 | -178.6 | 179.8 | -178.2 | 0 | 108.2 | A178 V180 | A178-K189 HydrophobicContact CB-CB 4.41Å; V180-K189 HydrophobicContact CG2-CG 4.18Å |
| 190 | V | 92.8 | Very high | 93.1 | Very high | 37 Ų | 37 | 75.2 Ų | 75.2 | 22% | 0.224 | 41% | 0.41 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 148.7 | 175.9 | -60.2 | 0 | 0 | 0 | 0 | 110.6 | A178 S179 R181 | A178-V190 CarbonylContact C-O 3.12Å; A178-V190 WeakPolarHBondContact CA-O 3.38Å; S179-V190 PolarHBondContact N-O 3.12Å; S179-V190 WeakPolarHBondContact O-CG2 3.2Å; S179-V190 PolarHBondContact O-N 2.84Å; R181-V190 HydrophobicContact CB-CG2 4.33Å; R181-V190 HydrophobicContact CG-CG2 3.83Å |
| 191 | P | 94.3 | Very high | 93.1 | Very high | 112 Ų | 112 | 74.1 Ų | 74.1 | 73% | 0.727 | 42% | 0.416 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -57.1 | 139.2 | 168.5 | -22.9 | 34.1 | 0 | 0 | 0 | 111.1 | ||
| 192 | G | 95.9 | Very high | 93.3 | Very high | 8 Ų | 8 | 70 Ų | 70 | 8% | 0.082 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.6 | 155.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | G177 F194 | G177-G192 PolarHBondContact N-O 3.15Å; G177-G192 PolarHBondContact O-N 3.11Å; G192-F194 WeakPolarHBondContact O-CD2 3.3Å; G192-F194 WeakPolarHBondContact O-CE2 3.27Å |
| 193 | I | 98 | Very high | 93.5 | Very high | 4 Ų | 4 | 65.8 Ų | 65.8 | 2% | 0.021 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 133.2 | -179.8 | -54.7 | -58.4 | 0 | 0 | 0 | 108.7 | I174 D176 E215 V216 V224 L229 V232 | I174-I193 HydrophobicContact CB-CG2 3.83Å; I174-I193 HydrophobicContact CD1-CG2 3.99Å; I174-I193 HydrophobicContact CG1-CG2 4.43Å; I174-I193 HydrophobicContact CG2-CG2 4.1Å; D176-I193 WeakPolarHBondContact OD1-CD1 2.95Å; I193-E215 CarbonylContact O-C 3.52Å; I193-E215 WeakPolarHBondContact O-CA 3.2Å; I193-V216 HydrophobicContact CB-CB 4.24Å; I193-V216 HydrophobicContact CG2-CB 4.22Å; I193-V216 HydrophobicContact CG2-CG2 4.4Å; I193-V216 PolarHBondContact O-N 2.76Å; I193-V224 HydrophobicContact CB-CG2 4.41Å; I193-V224 HydrophobicContact CG1-CG2 4.16Å; I193-L229 HydrophobicContact CD1-CD1 3.97Å; I193-L229 HydrophobicContact CG2-CD1 4.32Å; I193-V232 HydrophobicContact CG1-CG2 4.23Å; I193-V232 HydrophobicContact CG2-CG1 4.34Å |
| 194 | F | 98 | Very high | 93.9 | Very high | 24 Ų | 24 | 64.2 Ų | 64.2 | 11% | 0.105 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 146.7 | -175.6 | -63.2 | -94 | 0 | 0 | 0 | 111.1 | I174 R175 G192 S196 D214 E215 | I174-F194 CarbonylContact C-O 3.59Å; I174-F194 VanDerWaalsContact CA-O 3.24Å; I174-F194 WeakPolarHBondContact CA-O 3.34Å; R175-F194 HydrophobicContact CG-CB 4.23Å; R175-F194 PolarHBondContact N-O 3.03Å; R175-F194 PolarHBondContact O-N 3.17Å; G192-F194 WeakPolarHBondContact O-CD2 3.3Å; G192-F194 WeakPolarHBondContact O-CE2 3.27Å; F194-S196 PolarHBondContact O-N 3.06Å; F194-D214 WeakPolarHBondContact CA-O 3.31Å; F194-E215 HydrophobicContact CD1-CB 3.89Å; F194-E215 HydrophobicContact CD1-CG 4.34Å; F194-E215 HydrophobicContact CE1-CB 3.64Å; F194-E215 HydrophobicContact CE1-CG 3.84Å; F194-E215 HydrophobicContact CZ-CB 4.36Å; F194-E215 HydrophobicContact CZ-CG 4.04Å |
| 195 | I | 97.8 | Very high | 94.1 | Very high | 1 Ų | 1 | 61.9 Ų | 61.9 | 1% | 0.005 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 120.9 | 169.7 | -59.8 | -173.9 | 0 | 0 | 0 | 109 | F172 Y173 M198 L210 A211 N213 D214 V216 | F172-I195 HydrophobicContact CB-CG2 4.32Å; F172-I195 HydrophobicContact CD2-CD1 4.06Å; F172-I195 HydrophobicContact CD2-CG1 4.12Å; F172-I195 HydrophobicContact CD2-CG2 4.34Å; F172-I195 HydrophobicContact CE2-CD1 4.44Å; Y173-I195 CarbonylContact O-C 3.6Å; Y173-I195 VanDerWaalsContact O-CA 3.29Å; Y173-I195 WeakPolarHBondContact O-CA 3.37Å; I195-M198 HydrophobicContact CG2-SD 3.77Å; I195-L210 HydrophobicContact CD1-CB 3.92Å; I195-L210 HydrophobicContact CD1-CD1 4.32Å; I195-L210 HydrophobicContact CD1-CD2 4.3Å; I195-L210 HydrophobicContact CD1-CG 4.41Å; I195-A211 WeakPolarHBondContact CB-O 3.34Å; I195-N213 PolarHBondContact O-N 3.38Å; I195-D214 HydrophobicContact CD1-CB 4.15Å; I195-D214 HydrophobicContact CG1-CB 4.38Å; I195-D214 PolarHBondContact N-O 3.36Å; I195-V216 HydrophobicContact CG1-CG2 4.31Å |
| 196 | S | 97.4 | Very high | 94.4 | Very high | 33 Ų | 33 | 58.2 Ų | 58.2 | 23% | 0.231 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | -39.1 | -174.5 | 59 | 0 | 0 | 0 | 0 | 113.6 | Y173 I174 F194 V212 | Y173-S196 WeakPolarHBondContact CB-OG 3.48Å; Y173-S196 PolarHBondContact O-N 3.18Å; Y173-S196 PolarHBondContact O-OG 2.81Å; I174-S196 PolarHBondContact O-OG 2.87Å; F194-S196 PolarHBondContact O-N 3.06Å; S196-V212 WeakPolarHBondContact O-CG1 3.25Å |
| 197 | R | 96.4 | Very high | 94.4 | Very high | 120 Ų | 120 | 57.9 Ų | 57.9 | 45% | 0.453 | 33% | 0.328 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -155.1 | 155.7 | 176.1 | 63.3 | 175 | -165 | -174.5 | 9.4 | 111.6 | F172 Y173 | F172-R197 CarbonylContact C-O 3.58Å; F172-R197 WeakPolarHBondContact CA-O 3.5Å; Y173-R197 HydrophobicContact CD1-CG 4.24Å; Y173-R197 HydrophobicContact CD2-CG 3.48Å; Y173-R197 VanDerWaalsContact CD2-CG 3.48Å; Y173-R197 HydrophobicContact CE2-CG 4.29Å; Y173-R197 HydrophobicContact CG-CG 3.49Å; Y173-R197 VanDerWaalsContact CG-CG 3.49Å; Y173-R197 PolarHBondContact N-O 3.35Å; Y173-R197 PolarHBondContact OH-NH2 2.86Å |
| 198 | M | 95.8 | Very high | 94.4 | Very high | 31 Ų | 31 | 53.4 Ų | 53.4 | 15% | 0.153 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.8 | 154.8 | 169.6 | -54.4 | -57.1 | -76.2 | 0 | 0 | 109.9 | F172 I195 A204 E205 L210 V212 | F172-M198 HydrophobicContact CB-CE 4.15Å; F172-M198 HydrophobicContact CB-SD 3.78Å; I195-M198 HydrophobicContact CG2-SD 3.77Å; M198-A204 HydrophobicContact CE-CB 3.69Å; M198-E205 HydrophobicContact CB-CB 4.25Å; M198-E205 HydrophobicContact CB-CG 4.33Å; M198-E205 HydrophobicContact CE-CB 4.15Å; M198-L210 HydrophobicContact CE-CB 4.3Å; M198-V212 HydrophobicContact CG-CG2 3.8Å |
| 199 | V | 95.3 | Very high | 94.5 | Very high | 41 Ų | 41 | 50.7 Ų | 50.7 | 25% | 0.248 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -91.9 | 124.7 | 168.4 | 177.3 | 0 | 0 | 0 | 0 | 108.8 | G171 Y173 G201 G202 E205 | G171-V199 PolarHBondContact O-N 2.83Å; Y173-V199 HydrophobicContact CD2-CG2 4.33Å; Y173-V199 HydrophobicContact CE2-CG2 3.58Å; V199-G201 PolarHBondContact O-N 3.42Å; V199-G202 WeakPolarHBondContact O-CA 3.38Å; V199-G202 PolarHBondContact O-N 2.84Å; V199-E205 WeakPolarHBondContact O-CB 3.37Å |
| 200 | P | 93.4 | Very high | 94.6 | Very high | 112 Ų | 112 | 42.9 Ų | 42.9 | 73% | 0.727 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | 123 | 173 | -28.5 | 37 | 0 | 0 | 0 | 112.3 | G202 E205 | P200-G202 PolarHBondContact O-N 3.2Å; P200-E205 VanDerWaalsContact CA-OE2 3.28Å; P200-E205 WeakPolarHBondContact CA-OE2 3.09Å |
| 201 | G | 90.6 | Very high | 94.8 | Very high | 62 Ų | 62 | 42.4 Ų | 42.4 | 64% | 0.639 | 27% | 0.27 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 11.6 | -174.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | V199 E205 | V199-G201 PolarHBondContact O-N 3.42Å; G201-E205 PolarHBondContact N-OE2 2.79Å |
| 202 | G | 92.3 | Very high | 94.9 | Very high | 10 Ų | 10 | 39.7 Ų | 39.7 | 10% | 0.103 | 25% | 0.251 | C | S | . | . | trans | -70.5 | 165.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | V199 P200 E205 S206 | V199-G202 WeakPolarHBondContact O-CA 3.38Å; V199-G202 PolarHBondContact O-N 2.84Å; P200-G202 PolarHBondContact O-N 3.2Å; G202-E205 PolarHBondContact O-N 2.84Å; G202-S206 VanDerWaalsContact O-CB 3.28Å; G202-S206 WeakPolarHBondContact O-CB 3.39Å; G202-S206 PolarHBondContact O-N 3.19Å; G202-S206 PolarHBondContact O-OG 3.23Å | ||
| 203 | L | 93.1 | Very high | 94.9 | Very high | 34 Ų | 34 | 43.3 Ų | 43.3 | 18% | 0.178 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.6 | -56.3 | -178.9 | 171.7 | 63.6 | 0 | 0 | 0 | 111 | V143 L161 R163 L170 E205 S206 T207 | V143-L203 HydrophobicContact CG1-CD1 3.44Å; V143-L203 VanDerWaalsContact CG1-CD1 3.44Å; L161-L203 HydrophobicContact CB-CD2 4.48Å; R163-L203 HydrophobicContact CB-CD2 4.23Å; L170-L203 HydrophobicContact CD2-CD2 4.17Å; L170-L203 WeakPolarHBondContact O-CB 3.23Å; L203-E205 PolarHBondContact O-N 2.97Å; L203-S206 PolarHBondContact O-N 3.34Å; L203-T207 WeakPolarHBondContact O-CG2 3.39Å; L203-T207 PolarHBondContact O-N 3.48Å |
| 204 | A | 94.6 | Very high | 94.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -42.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L161 L170 F172 M198 T207 L210 | L161-A204 HydrophobicContact CD1-CB 4.36Å; L170-A204 WeakPolarHBondContact O-CB 3.37Å; L170-A204 PolarHBondContact O-N 3.24Å; F172-A204 HydrophobicContact CB-CB 4Å; F172-A204 HydrophobicContact CD1-CB 3.51Å; F172-A204 HydrophobicContact CE1-CB 4.36Å; F172-A204 HydrophobicContact CG-CB 4.11Å; M198-A204 HydrophobicContact CE-CB 3.69Å; A204-T207 PolarHBondContact O-N 2.91Å; A204-T207 PolarHBondContact O-OG1 3.46Å; A204-L210 HydrophobicContact CB-CD1 4.18Å |
| 205 | E | 94.1 | Very high | 94.8 | Very high | 82 Ų | 82 | 42.5 Ų | 42.5 | 38% | 0.383 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.3 | -46.8 | 177.1 | -167.4 | -169 | -107.4 | 0 | 0 | 111.5 | M198 V199 P200 G201 G202 L203 T207 G208 | M198-E205 HydrophobicContact CB-CB 4.25Å; M198-E205 HydrophobicContact CB-CG 4.33Å; M198-E205 HydrophobicContact CE-CB 4.15Å; V199-E205 WeakPolarHBondContact O-CB 3.37Å; P200-E205 VanDerWaalsContact CA-OE2 3.28Å; P200-E205 WeakPolarHBondContact CA-OE2 3.09Å; G201-E205 PolarHBondContact N-OE2 2.79Å; G202-E205 PolarHBondContact O-N 2.84Å; L203-E205 PolarHBondContact O-N 2.97Å; E205-T207 PolarHBondContact O-N 3.48Å; E205-G208 PolarHBondContact O-N 3.4Å |
| 206 | S | 92.3 | Very high | 94.8 | Very high | 85 Ų | 85 | 42.6 Ų | 42.6 | 59% | 0.594 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -60.5 | -21.1 | -179.7 | -57.9 | 0 | 0 | 0 | 0 | 113.7 | G202 L203 | G202-S206 VanDerWaalsContact O-CB 3.28Å; G202-S206 WeakPolarHBondContact O-CB 3.39Å; G202-S206 PolarHBondContact O-N 3.19Å; G202-S206 PolarHBondContact O-OG 3.23Å; L203-S206 PolarHBondContact O-N 3.34Å |
| 207 | T | 92.4 | Very high | 94.8 | Very high | 27 Ų | 27 | 42.2 Ų | 42.2 | 17% | 0.166 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -81.9 | -23.3 | 175.6 | 68.1 | 0 | 0 | 0 | 0 | 113.5 | V143 S144 L161 L203 A204 E205 L209 | V143-T207 HydrophobicContact CG1-CG2 4.16Å; S144-T207 VanDerWaalsContact CB-CG2 3.46Å; S144-T207 WeakPolarHBondContact OG-CG2 3.4Å; L161-T207 HydrophobicContact CD2-CG2 3.92Å; L203-T207 WeakPolarHBondContact O-CG2 3.39Å; L203-T207 PolarHBondContact O-N 3.48Å; A204-T207 PolarHBondContact O-N 2.91Å; A204-T207 PolarHBondContact O-OG1 3.46Å; E205-T207 PolarHBondContact O-N 3.48Å; T207-L209 PolarHBondContact O-N 2.87Å; T207-L209 PolarHBondContact OG1-N 3.34Å |
| 208 | G | 93.1 | Very high | 94.8 | Very high | 43 Ų | 43 | 38.5 Ų | 38.5 | 44% | 0.443 | 25% | 0.248 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.3 | 6.2 | -170.3 | 0 | 0 | 0 | 0 | 0 | 115 | E205 | E205-G208 PolarHBondContact O-N 3.4Š|
| 209 | L | 94.6 | Very high | 94.9 | Very high | 26 Ų | 26 | 37 Ų | 37 | 14% | 0.136 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -87.1 | -15.7 | -174.3 | -64.7 | -174.5 | 0 | 0 | 0 | 113.8 | I146 R157 V159 T207 | I146-L209 HydrophobicContact CD1-CD2 3.87Å; I146-L209 HydrophobicContact CG1-CD1 4.04Å; I146-L209 HydrophobicContact CG1-CD2 3.79Å; R157-L209 WeakPolarHBondContact CD-O 3.34Å; R157-L209 PolarHBondContact NH1-O 3.22Å; V159-L209 HydrophobicContact CG1-CB 3.84Å; V159-L209 HydrophobicContact CG1-CD1 3.83Å; V159-L209 HydrophobicContact CG2-CB 4.02Å; T207-L209 PolarHBondContact O-N 2.87Å; T207-L209 PolarHBondContact OG1-N 3.34Å |
| 210 | L | 95.6 | Very high | 95 | Very high | 8 Ų | 8 | 37.5 Ų | 37.5 | 4% | 0.042 | 24% | 0.242 | C | C | . | . | trans | -127.7 | 145.1 | 178.4 | -62.2 | 177.8 | 0 | 0 | 0 | 109.5 | V159 L161 F172 I195 M198 A204 V245 V247 | V159-L210 HydrophobicContact CB-CD2 4.3Å; V159-L210 HydrophobicContact CG2-CD2 3.98Å; L161-L210 HydrophobicContact CD1-CD1 4Å; F172-L210 HydrophobicContact CD1-CD1 4.42Å; F172-L210 HydrophobicContact CE1-CD1 4.28Å; I195-L210 HydrophobicContact CD1-CB 3.92Å; I195-L210 HydrophobicContact CD1-CD1 4.32Å; I195-L210 HydrophobicContact CD1-CD2 4.3Å; I195-L210 HydrophobicContact CD1-CG 4.41Å; M198-L210 HydrophobicContact CE-CB 4.3Å; A204-L210 HydrophobicContact CB-CD1 4.18Å; L210-V245 HydrophobicContact CD1-CG1 4.21Å; L210-V245 HydrophobicContact CD2-CG1 4.1Å; L210-V247 HydrophobicContact CD2-CG1 3.86Å; L210-V247 HydrophobicContact CD2-CG2 3.92Å | ||
| 211 | A | 95.4 | Very high | 95.1 | Very high | 27 Ų | 27 | 35.1 Ų | 35.1 | 22% | 0.223 | 24% | 0.238 | C | C | . | . | trans | -135.9 | 162.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | I195 D214 | I195-A211 WeakPolarHBondContact CB-O 3.34Å; A211-D214 PolarHBondContact N-OD2 3.43Å; A211-D214 WeakPolarHBondContact O-CB 3.34Å; A211-D214 VanDerWaalsContact O-CG 3.26Å; A211-D214 PolarHBondContact O-N 3.24Å | ||
| 212 | V | 96.3 | Very high | 95.4 | Very high | 56 Ų | 56 | 36 Ų | 36 | 34% | 0.339 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 139.5 | 172.1 | -175 | 0 | 0 | 0 | 0 | 110.1 | S196 M198 D214 | S196-V212 WeakPolarHBondContact O-CG1 3.25Å; M198-V212 HydrophobicContact CG-CG2 3.8Å; V212-D214 VanDerWaalsContact C-N 3.31Å |
| 213 | N | 96.2 | Very high | 95.6 | Very high | 83 Ų | 83 | 41.7 Ų | 41.7 | 44% | 0.444 | 25% | 0.251 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.3 | 1.3 | -173.6 | -52.7 | -58.9 | 0 | 0 | 0 | 116.6 | R175 I195 E215 A250 | R175-N213 PolarHBondContact NH2-OD1 2.87Å; I195-N213 PolarHBondContact O-N 3.38Å; N213-E215 PolarHBondContact O-N 2.88Å; N213-A250 HydrophobicContact CB-CB 3.89Å |
| 214 | D | 96.9 | Very high | 95.8 | Very high | 3 Ų | 3 | 40.4 Ų | 40.4 | 2% | 0.016 | 25% | 0.245 | C | C | . | . | P | Polyproline II helix | trans | -59.2 | 131.1 | 168.2 | -69.3 | -8.9 | 0 | 0 | 0 | 110 | F194 I195 A211 V212 V247 P249 A250 | F194-D214 WeakPolarHBondContact CA-O 3.31Å; I195-D214 HydrophobicContact CD1-CB 4.15Å; I195-D214 HydrophobicContact CG1-CB 4.38Å; I195-D214 PolarHBondContact N-O 3.36Å; A211-D214 PolarHBondContact N-OD2 3.43Å; A211-D214 WeakPolarHBondContact O-CB 3.34Å; A211-D214 VanDerWaalsContact O-CG 3.26Å; A211-D214 PolarHBondContact O-N 3.24Å; V212-D214 VanDerWaalsContact C-N 3.31Å; D214-V247 HydrophobicContact CB-CB 4.29Å; D214-P249 VanDerWaalsContact OD1-CA 3.26Å; D214-P249 WeakPolarHBondContact OD1-CA 3.38Å; D214-A250 PolarHBondContact OD1-N 2.89Å |
| 215 | E | 97.2 | Very high | 95.7 | Very high | 9 Ų | 9 | 43.3 Ų | 43.3 | 4% | 0.042 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 120.3 | 178.3 | -177.4 | -172.8 | 162.9 | 0 | 0 | 108.7 | S179 R181 I193 F194 N213 L217 V247 K248 | S179-E215 VanDerWaalsContact CB-OE1 3.29Å; S179-E215 WeakPolarHBondContact CB-OE1 3.47Å; S179-E215 PolarHBondContact OG-OE1 3.01Å; S179-E215 PolarHBondContact OG-OE2 2.87Å; R181-E215 IonicContact CZ-OE1 3.01Å; R181-E215 IonicContact NE-OE1 3.1Å; R181-E215 IonicContact NH2-OE1 3.9Å; R181-E215 PolarHBondContact NH2-OE1 3.44Å; I193-E215 CarbonylContact O-C 3.52Å; I193-E215 WeakPolarHBondContact O-CA 3.2Å; F194-E215 HydrophobicContact CD1-CB 3.89Å; F194-E215 HydrophobicContact CD1-CG 4.34Å; F194-E215 HydrophobicContact CE1-CB 3.64Å; F194-E215 HydrophobicContact CE1-CG 3.84Å; F194-E215 HydrophobicContact CZ-CB 4.36Å; F194-E215 HydrophobicContact CZ-CG 4.04Å; N213-E215 PolarHBondContact O-N 2.88Å; E215-L217 HydrophobicContact CG-CD2 4.03Å; E215-V247 CarbonylContact O-C 3.46Å; E215-V247 WeakPolarHBondContact O-CA 3.36Å; E215-K248 HydrophobicContact CB-CB 4.2Å; E215-K248 PolarHBondContact N-O 2.85Å; E215-K248 VanDerWaalsContact N-O 3.08Å; E215-K248 PolarHBondContact O-N 2.91Å; E215-K248 IonicContact OE2-NZ 3.36Å; E215-K248 PolarHBondContact OE2-NZ 2.85Å |
| 216 | V | 97.8 | Very high | 95.7 | Very high | 2 Ų | 2 | 43.4 Ų | 43.4 | 1% | 0.012 | 29% | 0.292 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 132 | 175.5 | 179.8 | 0 | 0 | 0 | 0 | 109 | I174 I193 I195 V219 V224 M236 V245 V247 | I174-V216 HydrophobicContact CG2-CG2 4.39Å; I193-V216 HydrophobicContact CB-CB 4.24Å; I193-V216 HydrophobicContact CG2-CB 4.22Å; I193-V216 HydrophobicContact CG2-CG2 4.4Å; I193-V216 PolarHBondContact O-N 2.76Å; I195-V216 HydrophobicContact CG1-CG2 4.31Å; V216-V219 HydrophobicContact CG1-CG2 4.25Å; V216-V224 HydrophobicContact CG1-CG1 4.12Å; V216-V224 HydrophobicContact CG1-CG2 4.38Å; V216-V224 WeakPolarHBondContact O-CG2 3.08Å; V216-M236 HydrophobicContact CG1-CE 3.8Å; V216-M236 HydrophobicContact CG2-CE 4.19Å; V216-V245 HydrophobicContact CG1-CG2 3.84Å; V216-V247 HydrophobicContact CG2-CG1 4.3Å |
| 217 | L | 97.1 | Very high | 95.9 | Very high | 25 Ų | 25 | 42.5 Ų | 42.5 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | -40.4 | -176.3 | -58.5 | -179 | 0 | 0 | 0 | 112.8 | H156 E215 E223 V224 T246 K248 | H156-L217 WeakPolarHBondContact CD2-CD1 3.41Å; H156-L217 WeakPolarHBondContact NE2-CD1 3.33Å; E215-L217 HydrophobicContact CG-CD2 4.03Å; L217-E223 WeakPolarHBondContact O-CA 3.39Å; L217-V224 PolarHBondContact O-N 3.22Å; L217-T246 PolarHBondContact N-O 3.35Å; L217-K248 HydrophobicContact CD1-CB 4.16Å |
| 218 | E | 97.7 | Very high | 96.1 | Very high | 42 Ų | 42 | 44.6 Ų | 44.6 | 20% | 0.196 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.4 | 147.7 | -178 | -51.9 | 170.2 | 146.6 | 0 | 0 | 110.7 | R158 I222 E223 V245 T246 | R158-E218 IonicContact CZ-OE2 2.85Å; R158-E218 IonicContact NE-OE2 3.51Å; R158-E218 IonicContact NH2-OE1 2.73Å; R158-E218 IonicContact NH2-OE2 3.22Å; R158-E218 PolarHBondContact NH2-OE2 3.23Å; E218-I222 CarbonylContact C-O 3.57Å; E218-I222 VanDerWaalsContact CA-O 3.3Å; E218-I222 WeakPolarHBondContact CA-O 3.34Å; E218-E223 HydrophobicContact CG-CG 4.36Å; E218-V245 WeakPolarHBondContact O-CA 3.34Å; E218-T246 PolarHBondContact N-O 3.39Å; E218-T246 PolarHBondContact O-N 3.23Å; E218-T246 WeakPolarHBondContact OE2-CB 3.33Å; E218-T246 PolarHBondContact OE2-OG1 2.71Å |
| 219 | V | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.4 | 121.1 | 169.9 | 171.4 | 0 | 0 | 0 | 0 | 108.5 | V216 G221 I222 V224 V232 M235 M236 L243 I244 V245 | V216-V219 HydrophobicContact CG1-CG2 4.25Å; V219-G221 PolarHBondContact O-N 3.18Å; V219-I222 PolarHBondContact N-O 3.16Å; V219-I222 WeakPolarHBondContact O-CB 3.38Å; V219-I222 PolarHBondContact O-N 3.4Å; V219-V224 HydrophobicContact CG2-CG1 4.11Å; V219-V232 HydrophobicContact CG2-CG1 4.5Å; V219-M235 HydrophobicContact CB-CE 3.97Å; V219-M235 HydrophobicContact CG1-CB 4.17Å; V219-M235 HydrophobicContact CG1-CE 4.41Å; V219-M236 HydrophobicContact CG1-CG 4.21Å; V219-M236 HydrophobicContact CG2-CE 3.63Å; V219-M236 HydrophobicContact CG2-CG 3.93Å; V219-L243 HydrophobicContact CG1-CD1 3.73Å; V219-I244 CarbonylContact C-O 3.52Å; V219-V245 HydrophobicContact CG2-CG2 4.44Å |
| 220 | N | 96.8 | Very high | 96.4 | Very high | 51 Ų | 51 | 47.6 Ų | 47.6 | 27% | 0.273 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47.6 | 39.9 | -177.2 | -73.3 | 37.6 | 0 | 0 | 0 | 114.1 | N239 N242 I244 | N220-N239 WeakPolarHBondContact ND2-CB 3.48Å; N220-N239 VanDerWaalsContact ND2-CG 3.27Å; N220-N239 PolarHBondContact ND2-OD1 3.2Å; N220-N242 PolarHBondContact ND2-O 2.88Å; N220-I244 PolarHBondContact N-O 2.89Å; N220-I244 PolarHBondContact OD1-N 2.82Å; N220-I244 PolarHBondContact OD1-O 3.17Å |
| 221 | G | 94.9 | Very high | 96.5 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 64% | 0.639 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 82 | 9.7 | 180 | 0 | 0 | 0 | 0 | 0 | 114.9 | V219 | V219-G221 PolarHBondContact O-N 3.18Š|
| 222 | I | 97 | Very high | 96.6 | Very high | 81 Ų | 81 | 50.6 Ų | 50.6 | 42% | 0.415 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.7 | 120.2 | 176.7 | -53.4 | 172.5 | 0 | 0 | 0 | 108.4 | E218 V219 M235 | E218-I222 CarbonylContact C-O 3.57Å; E218-I222 VanDerWaalsContact CA-O 3.3Å; E218-I222 WeakPolarHBondContact CA-O 3.34Å; V219-I222 PolarHBondContact N-O 3.16Å; V219-I222 WeakPolarHBondContact O-CB 3.38Å; V219-I222 PolarHBondContact O-N 3.4Å; I222-M235 HydrophobicContact CB-CE 3.7Å; I222-M235 HydrophobicContact CD1-CE 4.29Å; I222-M235 HydrophobicContact CG2-CE 3.69Å; I222-M235 HydrophobicContact CG2-SD 4.5Å |
| 223 | E | 96.8 | Very high | 96.7 | Very high | 129 Ų | 129 | 48.4 Ų | 48.4 | 60% | 0.603 | 29% | 0.292 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -58.7 | 144 | 175 | -67.3 | -175.2 | -169.5 | 0 | 0 | 111.9 | L217 E218 K227 | L217-E223 WeakPolarHBondContact O-CA 3.39Å; E218-E223 HydrophobicContact CG-CG 4.36Å; E223-K227 VanDerWaalsContact O-CE 3.22Å; E223-K227 WeakPolarHBondContact O-CE 3.42Å |
| 224 | V | 96.9 | Very high | 96.7 | Very high | 8 Ų | 8 | 49.4 Ų | 49.4 | 5% | 0.048 | 30% | 0.297 | C | S | . | . | trans | -94.9 | -6.7 | 176.7 | -50.8 | 0 | 0 | 0 | 0 | 113.4 | I193 V216 L217 V219 G226 K227 V232 | I193-V224 HydrophobicContact CB-CG2 4.41Å; I193-V224 HydrophobicContact CG1-CG2 4.16Å; V216-V224 HydrophobicContact CG1-CG1 4.12Å; V216-V224 HydrophobicContact CG1-CG2 4.38Å; V216-V224 WeakPolarHBondContact O-CG2 3.08Å; L217-V224 PolarHBondContact O-N 3.22Å; V219-V224 HydrophobicContact CG2-CG1 4.11Å; V224-G226 PolarHBondContact O-N 3.03Å; V224-K227 WeakPolarHBondContact O-CB 3.23Å; V224-K227 PolarHBondContact O-N 3.04Å; V224-K227 VanDerWaalsContact O-N 3.13Å; V224-V232 HydrophobicContact CB-CG1 4.42Å; V224-V232 HydrophobicContact CB-CG2 3.79Å; V224-V232 HydrophobicContact CG1-CG1 3.91Å; V224-V232 HydrophobicContact CG1-CG2 3.99Å | ||
| 225 | A | 93.8 | Very high | 96.7 | Very high | 60 Ų | 60 | 50.6 Ų | 50.6 | 50% | 0.496 | 30% | 0.303 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | 129.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111 | K227 | A225-K227 VanDerWaalsContact C-N 3.25Å; A225-K227 PolarHBondContact O-N 2.78Å |
| 226 | G | 92.7 | Very high | 96.7 | Very high | 85 Ų | 85 | 50.1 Ų | 50.1 | 88% | 0.876 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 75 | 4.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.6 | V224 | V224-G226 PolarHBondContact O-N 3.03Š|
| 227 | K | 96.1 | Very high | 96.6 | Very high | 66 Ų | 66 | 54 Ų | 54 | 29% | 0.287 | 32% | 0.321 | S | S | . | . | trans | -92 | 154 | 172.4 | -58.2 | -162.6 | 175.6 | -156.7 | 0 | 111.3 | E223 V224 A225 Q231 V232 M235 | E223-K227 VanDerWaalsContact O-CE 3.22Å; E223-K227 WeakPolarHBondContact O-CE 3.42Å; V224-K227 WeakPolarHBondContact O-CB 3.23Å; V224-K227 PolarHBondContact O-N 3.04Å; V224-K227 VanDerWaalsContact O-N 3.13Å; A225-K227 VanDerWaalsContact C-N 3.25Å; A225-K227 PolarHBondContact O-N 2.78Å; K227-Q231 HydrophobicContact CB-CB 4.36Å; K227-V232 HydrophobicContact CB-CG2 3.79Å; K227-M235 HydrophobicContact CD-CE 4.4Å; K227-M235 HydrophobicContact CD-SD 3.69Å; K227-M235 PolarHBondContact NZ-SD 3.07Å | ||
| 228 | T | 96.9 | Very high | 96.4 | Very high | 70 Ų | 70 | 56.8 Ų | 56.8 | 43% | 0.429 | 35% | 0.347 | S | S | . | . | trans | -77.8 | 156.7 | 172 | 67.8 | 0 | 0 | 0 | 0 | 111.2 | D230 Q231 V232 | T228-D230 PolarHBondContact O-N 2.84Å; T228-Q231 VanDerWaalsContact N-OE1 3.12Å; T228-Q231 PolarHBondContact O-N 3.45Å; T228-Q231 VanDerWaalsContact O-N 3.12Å; T228-Q231 VanDerWaalsContact OG1-CG 3.28Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.23Å; T228-Q231 PolarHBondContact OG1-N 2.97Å; T228-V232 WeakPolarHBondContact O-CG2 3.46Å; T228-V232 PolarHBondContact O-N 2.86Å; T228-V232 VanDerWaalsContact O-N 3.09Å | ||
| 229 | L | 97.4 | Very high | 96.3 | Very high | 29 Ų | 29 | 57.3 Ų | 57.3 | 15% | 0.152 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -51.4 | -43.8 | 174.5 | -173 | 64.9 | 0 | 0 | 0 | 112.1 | I174 I193 V232 T233 | I174-L229 HydrophobicContact CB-CD1 4.26Å; I174-L229 HydrophobicContact CD1-CD1 3.87Å; I174-L229 HydrophobicContact CG1-CD1 3.79Å; I193-L229 HydrophobicContact CD1-CD1 3.97Å; I193-L229 HydrophobicContact CG2-CD1 4.32Å; L229-V232 PolarHBondContact O-N 2.65Å; L229-T233 WeakPolarHBondContact O-CB 3.07Å; L229-T233 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-OG1 3.19Å |
| 230 | D | 97.4 | Very high | 96.1 | Very high | 104 Ų | 104 | 57.8 Ų | 57.8 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62.6 | -44.5 | 178.5 | -57 | -35.6 | 0 | 0 | 0 | 112 | T228 V232 T233 D234 | T228-D230 PolarHBondContact O-N 2.84Å; D230-V232 VanDerWaalsContact C-N 3.29Å; D230-V232 PolarHBondContact O-N 2.79Å; D230-T233 WeakPolarHBondContact O-CB 3.35Å; D230-T233 PolarHBondContact O-N 2.86Å; D230-D234 PolarHBondContact O-N 3Å |
| 231 | Q | 97.6 | Very high | 95.8 | Very high | 98 Ų | 98 | 60.9 Ų | 60.9 | 46% | 0.458 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 177.1 | -72.4 | 168.4 | -4 | 0 | 0 | 112.2 | K227 T228 M235 | K227-Q231 HydrophobicContact CB-CB 4.36Å; T228-Q231 VanDerWaalsContact N-OE1 3.12Å; T228-Q231 PolarHBondContact O-N 3.45Å; T228-Q231 VanDerWaalsContact O-N 3.12Å; T228-Q231 VanDerWaalsContact OG1-CG 3.28Å; T228-Q231 WeakPolarHBondContact OG1-CG 3.23Å; T228-Q231 PolarHBondContact OG1-N 2.97Å; Q231-M235 WeakPolarHBondContact O-CB 3.47Å; Q231-M235 WeakPolarHBondContact O-CG 3.39Å; Q231-M235 PolarHBondContact O-N 2.91Å |
| 232 | V | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 60.5 Ų | 60.5 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -72.8 | -37 | 177.3 | 179.1 | 0 | 0 | 0 | 0 | 110.8 | I174 I193 V219 V224 K227 T228 L229 D230 M235 M236 | I174-V232 HydrophobicContact CD1-CB 4.36Å; I174-V232 HydrophobicContact CD1-CG1 3.94Å; I193-V232 HydrophobicContact CG1-CG2 4.23Å; I193-V232 HydrophobicContact CG2-CG1 4.34Å; V219-V232 HydrophobicContact CG2-CG1 4.5Å; V224-V232 HydrophobicContact CB-CG1 4.42Å; V224-V232 HydrophobicContact CB-CG2 3.79Å; V224-V232 HydrophobicContact CG1-CG1 3.91Å; V224-V232 HydrophobicContact CG1-CG2 3.99Å; K227-V232 HydrophobicContact CB-CG2 3.79Å; T228-V232 WeakPolarHBondContact O-CG2 3.46Å; T228-V232 PolarHBondContact O-N 2.86Å; T228-V232 VanDerWaalsContact O-N 3.09Å; L229-V232 PolarHBondContact O-N 2.65Å; D230-V232 VanDerWaalsContact C-N 3.29Å; D230-V232 PolarHBondContact O-N 2.79Å; V232-M235 PolarHBondContact O-N 3.42Å; V232-M236 HydrophobicContact CG1-CE 4.04Å; V232-M236 WeakPolarHBondContact O-CG 3.33Å; V232-M236 PolarHBondContact O-N 3.1Å |
| 233 | T | 97.1 | Very high | 95.8 | Very high | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -58.9 | -52.6 | 172.2 | -58.3 | 0 | 0 | 0 | 0 | 110.3 | L229 D230 M235 M236 I237 V374 L376 | L229-T233 WeakPolarHBondContact O-CB 3.07Å; L229-T233 PolarHBondContact O-N 3.18Å; L229-T233 PolarHBondContact O-OG1 3.19Å; D230-T233 WeakPolarHBondContact O-CB 3.35Å; D230-T233 PolarHBondContact O-N 2.86Å; T233-M235 VanDerWaalsContact C-N 3.34Å; T233-M235 PolarHBondContact O-N 3.29Å; T233-M236 PolarHBondContact O-N 3.38Å; T233-M236 VanDerWaalsContact O-N 3.12Å; T233-I237 HydrophobicContact CG2-CD1 3.92Å; T233-I237 WeakPolarHBondContact O-CG1 3.48Å; T233-I237 PolarHBondContact O-N 3.03Å; T233-V374 HydrophobicContact CG2-CG1 4.31Å; T233-L376 HydrophobicContact CG2-CD2 3.59Å; T233-L376 HydrophobicContact CG2-CG 4.3Å |
| 234 | D | 97 | Very high | 95.9 | Very high | 103 Ų | 103 | 52.3 Ų | 52.3 | 55% | 0.551 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -58.4 | -43.1 | 176.4 | -74.9 | -21.9 | 0 | 0 | 0 | 112.2 | D230 M236 I237 A238 | D230-D234 PolarHBondContact O-N 3Å; D234-M236 VanDerWaalsContact C-N 3.34Å; D234-M236 PolarHBondContact O-N 3.5Å; D234-I237 PolarHBondContact O-N 3.37Å; D234-A238 VanDerWaalsContact O-CB 3.26Å; D234-A238 WeakPolarHBondContact O-CB 3.15Å; D234-A238 PolarHBondContact O-N 2.98Å |
| 235 | M | 97.4 | Very high | 95.9 | Very high | 28 Ų | 28 | 52 Ų | 52 | 14% | 0.138 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.2 | -39.9 | 175.5 | -77.5 | 170.6 | 49.5 | 0 | 0 | 112.4 | V219 I222 K227 Q231 V232 T233 N239 | V219-M235 HydrophobicContact CB-CE 3.97Å; V219-M235 HydrophobicContact CG1-CB 4.17Å; V219-M235 HydrophobicContact CG1-CE 4.41Å; I222-M235 HydrophobicContact CB-CE 3.7Å; I222-M235 HydrophobicContact CD1-CE 4.29Å; I222-M235 HydrophobicContact CG2-CE 3.69Å; I222-M235 HydrophobicContact CG2-SD 4.5Å; K227-M235 HydrophobicContact CD-CE 4.4Å; K227-M235 HydrophobicContact CD-SD 3.69Å; K227-M235 PolarHBondContact NZ-SD 3.07Å; Q231-M235 WeakPolarHBondContact O-CB 3.47Å; Q231-M235 WeakPolarHBondContact O-CG 3.39Å; Q231-M235 PolarHBondContact O-N 2.91Å; V232-M235 PolarHBondContact O-N 3.42Å; T233-M235 VanDerWaalsContact C-N 3.34Å; T233-M235 PolarHBondContact O-N 3.29Å; M235-N239 PolarHBondContact O-N 3.49Å; M235-N239 PolarHBondContact O-ND2 2.92Å |
| 236 | M | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -69.8 | -41.7 | 175.5 | -71.3 | -173.4 | -178 | 0 | 0 | 112.1 | F172 I174 V216 V219 V232 T233 D234 N239 S240 L243 V245 L376 | F172-M236 HydrophobicContact CE2-CE 4.34Å; F172-M236 HydrophobicContact CE2-SD 3.93Å; F172-M236 HydrophobicContact CZ-CE 4.47Å; F172-M236 HydrophobicContact CZ-SD 3.85Å; I174-M236 HydrophobicContact CD1-CE 4.43Å; I174-M236 HydrophobicContact CD1-SD 4.2Å; I174-M236 HydrophobicContact CG2-CE 4.2Å; I174-M236 HydrophobicContact CG2-SD 4.33Å; V216-M236 HydrophobicContact CG1-CE 3.8Å; V216-M236 HydrophobicContact CG2-CE 4.19Å; V219-M236 HydrophobicContact CG1-CG 4.21Å; V219-M236 HydrophobicContact CG2-CE 3.63Å; V219-M236 HydrophobicContact CG2-CG 3.93Å; V232-M236 HydrophobicContact CG1-CE 4.04Å; V232-M236 WeakPolarHBondContact O-CG 3.33Å; V232-M236 PolarHBondContact O-N 3.1Å; T233-M236 PolarHBondContact O-N 3.38Å; T233-M236 VanDerWaalsContact O-N 3.12Å; D234-M236 VanDerWaalsContact C-N 3.34Å; D234-M236 PolarHBondContact O-N 3.5Å; M236-N239 CarbonylContact O-C 3.56Å; M236-N239 PolarHBondContact O-N 2.82Å; M236-S240 WeakPolarHBondContact O-CA 3.01Å; M236-S240 PolarHBondContact O-N 2.75Å; M236-L243 HydrophobicContact CB-CD1 4.49Å; M236-L243 HydrophobicContact CG-CD1 4.27Å; M236-V245 HydrophobicContact CE-CG2 4.38Å; M236-L376 HydrophobicContact CB-CD2 4.37Å; M236-L376 HydrophobicContact SD-CD1 3.93Å |
| 237 | I | 94.4 | Very high | 96.3 | Very high | 84 Ų | 84 | 45.3 Ų | 45.3 | 43% | 0.431 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -62.8 | -49.3 | 178.1 | -68.4 | 169.8 | 0 | 0 | 0 | 110.6 | T233 D234 N239 S240 L376 | T233-I237 HydrophobicContact CG2-CD1 3.92Å; T233-I237 WeakPolarHBondContact O-CG1 3.48Å; T233-I237 PolarHBondContact O-N 3.03Å; D234-I237 PolarHBondContact O-N 3.37Å; I237-N239 PolarHBondContact O-N 3.03Å; I237-S240 WeakPolarHBondContact O-CB 3.49Å; I237-S240 PolarHBondContact O-N 2.96Å; I237-S240 PolarHBondContact O-OG 2.7Å; I237-L376 HydrophobicContact CD1-CD2 3.94Å; I237-L376 HydrophobicContact CG1-CD2 3.53Å |
| 238 | A | 94.6 | Very high | 96.3 | Very high | 82 Ų | 82 | 45.6 Ų | 45.6 | 68% | 0.678 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -59.2 | -30.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | D234 | D234-A238 VanDerWaalsContact O-CB 3.26Å; D234-A238 WeakPolarHBondContact O-CB 3.15Å; D234-A238 PolarHBondContact O-N 2.98Å |
| 239 | N | 95.3 | Very high | 96.1 | Very high | 54 Ų | 54 | 42.6 Ų | 42.6 | 29% | 0.289 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -102.4 | 8.7 | 178.2 | -67.4 | -80.5 | 0 | 0 | 0 | 113.5 | N220 M235 M236 I237 H241 N242 L243 | N220-N239 WeakPolarHBondContact ND2-CB 3.48Å; N220-N239 VanDerWaalsContact ND2-CG 3.27Å; N220-N239 PolarHBondContact ND2-OD1 3.2Å; M235-N239 PolarHBondContact O-N 3.49Å; M235-N239 PolarHBondContact O-ND2 2.92Å; M236-N239 CarbonylContact O-C 3.56Å; M236-N239 PolarHBondContact O-N 2.82Å; I237-N239 PolarHBondContact O-N 3.03Å; N239-H241 PolarHBondContact O-N 2.84Å; N239-N242 CarbonylContact O-C 3.45Å; N239-N242 PolarHBondContact O-N 2.65Å; N239-L243 HydrophobicContact CB-CD1 4.29Å; N239-L243 PolarHBondContact O-N 3.04Å; N239-L243 VanDerWaalsContact O-N 3.14Å |
| 240 | S | 92.8 | Very high | 95.6 | Very high | 10 Ų | 10 | 43.7 Ų | 43.7 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -24.6 | -167.8 | 60.2 | 0 | 0 | 0 | 0 | 115.1 | R163 M236 I237 | R163-S240 WeakPolarHBondContact CB-O 3.2Å; R163-S240 WeakPolarHBondContact CD-O 3.46Å; R163-S240 PolarHBondContact NH1-OG 2.89Å; M236-S240 WeakPolarHBondContact O-CA 3.01Å; M236-S240 PolarHBondContact O-N 2.75Å; I237-S240 WeakPolarHBondContact O-CB 3.49Å; I237-S240 PolarHBondContact O-N 2.96Å; I237-S240 PolarHBondContact O-OG 2.7Å |
| 241 | H | 91.3 | Very high | 94.5 | Very high | 115 Ų | 115 | 44 Ų | 44 | 53% | 0.532 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -32.8 | 173.9 | -72.4 | -68.9 | 0 | 0 | 0 | 113.8 | R163 N239 | R163-H241 PolarHBondContact N-O 3.19Å; N239-H241 PolarHBondContact O-N 2.84Å |
| 242 | N | 94.9 | Very high | 92.9 | Very high | 55 Ų | 55 | 44.7 Ų | 44.7 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 70.8 | -176.9 | -156.3 | -45.2 | 0 | 0 | 0 | 109.3 | R160 H162 N220 N239 | R160-N242 VanDerWaalsContact CZ-OD1 3.3Å; R160-N242 PolarHBondContact NE-OD1 3.14Å; R160-N242 PolarHBondContact NH2-ND2 3.03Å; R160-N242 VanDerWaalsContact NH2-ND2 3.13Å; R160-N242 PolarHBondContact NH2-OD1 2.82Å; H162-N242 PolarHBondContact CD2-ND2 3.38Å; H162-N242 PolarHBondContact NE2-ND2 2.99Å; N220-N242 PolarHBondContact ND2-O 2.88Å; N239-N242 CarbonylContact O-C 3.45Å; N239-N242 PolarHBondContact O-N 2.65Å |
| 243 | L | 97.2 | Very high | 91 | Very high | 0 Ų | 0 | 55.9 Ų | 55.9 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 129.1 | -176.5 | -178.4 | 67 | 0 | 0 | 0 | 109.4 | R160 L161 L170 F172 V219 M236 N239 V245 | R160-L243 CarbonylContact C-O 3.58Å; R160-L243 VanDerWaalsContact CA-O 3.3Å; R160-L243 WeakPolarHBondContact CA-O 3.5Å; L161-L243 HydrophobicContact CB-CB 4.49Å; L161-L243 PolarHBondContact N-O 2.79Å; L161-L243 PolarHBondContact O-N 3.46Å; L170-L243 HydrophobicContact CD1-CD2 3.71Å; L170-L243 HydrophobicContact CD2-CD2 4.48Å; F172-L243 HydrophobicContact CE1-CD2 4.27Å; F172-L243 HydrophobicContact CZ-CD2 4.1Å; V219-L243 HydrophobicContact CG1-CD1 3.73Å; M236-L243 HydrophobicContact CB-CD1 4.49Å; M236-L243 HydrophobicContact CG-CD1 4.27Å; N239-L243 HydrophobicContact CB-CD1 4.29Å; N239-L243 PolarHBondContact O-N 3.04Å; N239-L243 VanDerWaalsContact O-N 3.14Å; L243-V245 HydrophobicContact CG-CB 4.49Å |
| 244 | I | 97.8 | Very high | 89 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 19% | 0.19 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 113.5 | 167.6 | -64.4 | 171.3 | 0 | 0 | 0 | 106.3 | I147 R158 V159 R160 V219 N220 | I147-I244 HydrophobicContact CD1-CD1 4.22Å; I147-I244 HydrophobicContact CD1-CG1 4.35Å; I147-I244 HydrophobicContact CD1-CG2 3.81Å; R158-I244 HydrophobicContact CG-CG2 3.7Å; V159-I244 CarbonylContact O-C 3.58Å; V159-I244 WeakPolarHBondContact O-CA 3.41Å; R160-I244 HydrophobicContact CB-CG1 4.21Å; R160-I244 HydrophobicContact CG-CG1 3.85Å; V219-I244 CarbonylContact C-O 3.52Å; N220-I244 PolarHBondContact N-O 2.89Å; N220-I244 PolarHBondContact OD1-N 2.82Å; N220-I244 PolarHBondContact OD1-O 3.17Å |
| 245 | V | 97.9 | Very high | 87 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 128.8 | 179.7 | 65.3 | 0 | 0 | 0 | 0 | 109.8 | R158 V159 L210 V216 E218 V219 M236 L243 V247 | R158-V245 WeakPolarHBondContact CA-O 3.46Å; V159-V245 HydrophobicContact CB-CG1 4.14Å; V159-V245 PolarHBondContact N-O 2.78Å; V159-V245 PolarHBondContact O-N 3.48Å; L210-V245 HydrophobicContact CD1-CG1 4.21Å; L210-V245 HydrophobicContact CD2-CG1 4.1Å; V216-V245 HydrophobicContact CG1-CG2 3.84Å; E218-V245 WeakPolarHBondContact O-CA 3.34Å; V219-V245 HydrophobicContact CG2-CG2 4.44Å; M236-V245 HydrophobicContact CE-CG2 4.38Å; L243-V245 HydrophobicContact CG-CB 4.49Å; V245-V247 HydrophobicContact CG1-CG1 4.4Å; V245-V247 HydrophobicContact CG2-CG1 3.87Å |
| 246 | T | 97.5 | Very high | 85.1 | Confident | 6 Ų | 6 | 60.8 Ų | 60.8 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 121.9 | 168.9 | -53.9 | 0 | 0 | 0 | 0 | 108 | H156 R157 R158 L217 E218 | H156-T246 HydrophobicContact CB-CG2 4.36Å; R157-T246 WeakPolarHBondContact O-CA 3.39Å; R158-T246 WeakPolarHBondContact CG-OG1 3.46Å; R158-T246 PolarHBondContact NE-OG1 3.35Å; L217-T246 PolarHBondContact N-O 3.35Å; E218-T246 PolarHBondContact N-O 3.39Å; E218-T246 PolarHBondContact O-N 3.23Å; E218-T246 WeakPolarHBondContact OE2-CB 3.33Å; E218-T246 PolarHBondContact OE2-OG1 2.71Å |
| 247 | V | 96.9 | Very high | 82.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 157.2 | 177.6 | -58.8 | 0 | 0 | 0 | 0 | 111.4 | H156 R157 L210 D214 E215 V216 V245 P249 | H156-V247 CarbonylContact C-O 3.49Å; H156-V247 VanDerWaalsContact CA-O 3.27Å; H156-V247 WeakPolarHBondContact CA-O 3.43Å; R157-V247 HydrophobicContact CB-CG2 4.18Å; R157-V247 PolarHBondContact N-O 3.05Å; R157-V247 PolarHBondContact O-N 3.06Å; L210-V247 HydrophobicContact CD2-CG1 3.86Å; L210-V247 HydrophobicContact CD2-CG2 3.92Å; D214-V247 HydrophobicContact CB-CB 4.29Å; E215-V247 CarbonylContact O-C 3.46Å; E215-V247 WeakPolarHBondContact O-CA 3.36Å; V216-V247 HydrophobicContact CG2-CG1 4.3Å; V245-V247 HydrophobicContact CG1-CG1 4.4Å; V245-V247 HydrophobicContact CG2-CG1 3.87Å; V247-P249 HydrophobicContact CG2-CG 4.48Å |
| 248 | K | 95.4 | Very high | 80.9 | Confident | 72 Ų | 72 | 70.2 Ų | 70.2 | 31% | 0.313 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 107.1 | 163 | 179.6 | -177.3 | 165.8 | -163.8 | 0 | 107.6 | E215 L217 A250 | E215-K248 HydrophobicContact CB-CB 4.2Å; E215-K248 PolarHBondContact N-O 2.85Å; E215-K248 VanDerWaalsContact N-O 3.08Å; E215-K248 PolarHBondContact O-N 2.91Å; E215-K248 IonicContact OE2-NZ 3.36Å; E215-K248 PolarHBondContact OE2-NZ 2.85Å; L217-K248 HydrophobicContact CD1-CB 4.16Å; K248-A250 PolarHBondContact O-N 2.84Å |
| 249 | P | 94.2 | Very high | 78.5 | Confident | 7 Ų | 7 | 69.6 Ų | 69.6 | 5% | 0.045 | 36% | 0.364 | C | S | . | . | trans | -62.5 | 133.8 | -175.8 | -25.8 | 36.4 | 0 | 0 | 0 | 112.5 | T155 R157 D214 V247 | T155-P249 WeakPolarHBondContact O-CD 3.38Å; R157-P249 HydrophobicContact CB-CG 4.14Å; D214-P249 VanDerWaalsContact OD1-CA 3.26Å; D214-P249 WeakPolarHBondContact OD1-CA 3.38Å; V247-P249 HydrophobicContact CG2-CG 4.48Å | ||
| 250 | A | 87.1 | Confident | 75.8 | Confident | 51 Ų | 51 | 70.6 Ų | 70.6 | 42% | 0.421 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -67.8 | -40.6 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | N213 D214 K248 | N213-A250 HydrophobicContact CB-CB 3.89Å; D214-A250 PolarHBondContact OD1-N 2.89Å; K248-A250 PolarHBondContact O-N 2.84Å |
| 251 | N | 73 | Confident | 73.5 | Confident | 110 Ų | 110 | 81.7 Ų | 81.7 | 59% | 0.588 | 43% | 0.427 | S | S | * | . | trans | -111 | 93.2 | 177.1 | -80 | -45.2 | 0 | 0 | 0 | 110.3 | R253 N254 | N251-R253 PolarHBondContact O-N 3.35Å; N251-N254 PolarHBondContact O-N 3.41Å | ||
| 252 | Q | 64.1 | Low | 71 | Confident | 113 Ų | 113 | 80.6 Ų | 80.6 | 53% | 0.528 | 44% | 0.438 | S | S | . | . | G | 310 helix | trans | -60.2 | -13.3 | 177.6 | -64.4 | -175.9 | 7.2 | 0 | 0 | 113.8 | N254 N255 | Q252-N254 PolarHBondContact O-N 2.8Å; Q252-N255 WeakPolarHBondContact O-CB 3.24Å; Q252-N255 PolarHBondContact O-N 2.67Å |
| 253 | R | 58.3 | Low | 68.9 | Low | 235 Ų | 235 | 86.5 Ų | 86.5 | 89% | 0.887 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -55 | -28.7 | 169 | -81.6 | -177.3 | 159.6 | -178.8 | -6.9 | 114 | N251 | N251-R253 PolarHBondContact O-N 3.35Š|
| 254 | N | 55.7 | Low | 66 | Low | 101 Ų | 101 | 89.9 Ų | 89.9 | 54% | 0.54 | 50% | 0.503 | S | S | . | . | G | 310 helix | trans | -89 | 2.2 | 176.4 | -77.8 | 14.7 | 0 | 0 | 0 | 113.1 | R157 N251 Q252 | R157-N254 PolarHBondContact NH2-O 3.08Å; N251-N254 PolarHBondContact O-N 3.41Å; Q252-N254 PolarHBondContact O-N 2.8Å |
| 255 | N | 55.3 | Low | 63.2 | Low | 39 Ų | 39 | 93.4 Ų | 93.4 | 21% | 0.209 | 53% | 0.531 | C | S | . | . | S | Bend | trans | -63.1 | 137.9 | 166.8 | -86 | -4 | 0 | 0 | 0 | 108.6 | E154 R157 Q252 V257 | E154-N255 PolarHBondContact O-ND2 2.77Å; R157-N255 VanDerWaalsContact NH2-CA 3.28Å; R157-N255 PolarHBondContact NH2-OD1 3.08Å; Q252-N255 WeakPolarHBondContact O-CB 3.24Å; Q252-N255 PolarHBondContact O-N 2.67Å; N255-V257 PolarHBondContact O-N 2.81Å |
| 256 | V | 56.2 | Low | 60.4 | Low | 104 Ų | 104 | 98.9 Ų | 98.9 | 63% | 0.63 | 57% | 0.57 | S | S | * | * | trans | -64.1 | 94.7 | 172.5 | 178.7 | 0 | 0 | 0 | 0 | 106.6 | I146 R258 | I146-V256 HydrophobicContact CD1-CG2 3.75Å; V256-R258 PolarHBondContact O-N 2.94Å | ||
| 257 | V | 50.1 | Low | 57.4 | Low | 122 Ų | 122 | 101.6 Ų | 101.6 | 74% | 0.739 | 60% | 0.599 | S | S | * | * | trans | -60.5 | 103.5 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 105.5 | N255 G259 | N255-V257 PolarHBondContact O-N 2.81Å; V257-G259 PolarHBondContact O-N 2.68Å | ||
| 258 | R | 54.3 | Low | 55 | Low | 161 Ų | 161 | 108 Ų | 108 | 61% | 0.608 | 64% | 0.64 | S | S | * | * | trans | -55.1 | 112.5 | 165.1 | -83.5 | -176.6 | 172.7 | 163.3 | -0.4 | 105 | D150 V256 G260 | D150-R258 IonicContact OD1-CZ 3.56Å; D150-R258 VanDerWaalsContact OD1-CZ 3.23Å; D150-R258 IonicContact OD1-NH1 3.23Å; D150-R258 PolarHBondContact OD1-NH1 2.76Å; D150-R258 IonicContact OD1-NH2 2.72Å; D150-R258 PolarHBondContact OD1-NH2 3.12Å; D150-R258 IonicContact OD2-NH2 3.54Å; D150-R258 PolarHBondContact OD2-NH2 3.26Å; D150-R258 VanDerWaalsContact OD2-NH2 3.07Å; V256-R258 PolarHBondContact O-N 2.94Å; R258-G260 PolarHBondContact O-N 2.8Å | ||
| 259 | G | 44.1 | Very low | 52.3 | Low | 69 Ų | 69 | 110.3 Ų | 110.3 | 71% | 0.711 | 66% | 0.663 | S | S | * | * | trans | -52.1 | 108.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 107.7 | V257 R261 | V257-G259 PolarHBondContact O-N 2.68Å; G259-R261 PolarHBondContact O-N 3.29Å | ||
| 260 | G | 37.8 | Very low | 49.7 | Very low | 74 Ų | 74 | 115.3 Ų | 115.3 | 76% | 0.763 | 70% | 0.698 | S | S | * | * | trans | -60.6 | 108.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 107.9 | R258 A262 | R258-G260 PolarHBondContact O-N 2.8Å; G260-A262 VanDerWaalsContact C-N 3.35Å; G260-A262 PolarHBondContact O-N 3.25Å | ||
| 261 | R | 44 | Very low | 47.2 | Very low | 244 Ų | 244 | 121.1 Ų | 121.1 | 92% | 0.921 | 72% | 0.722 | S | S | * | * | trans | -58.6 | 109.7 | 161 | -77.1 | -174.8 | 173.3 | -169.4 | -2.6 | 105.1 | G259 L263 | G259-R261 PolarHBondContact O-N 3.29Å; R261-L263 PolarHBondContact O-N 3.26Å | ||
| 262 | A | 40.4 | Very low | 45.4 | Very low | 92 Ų | 92 | 119.5 Ų | 119.5 | 76% | 0.76 | 73% | 0.731 | S | S | * | * | trans | -48.1 | 132.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 108.1 | G260 G264 | G260-A262 VanDerWaalsContact C-N 3.35Å; G260-A262 PolarHBondContact O-N 3.25Å; A262-G264 PolarHBondContact O-N 2.62Å | ||
| 263 | L | 49.9 | Very low | 44.1 | Very low | 178 Ų | 178 | 121.2 Ų | 121.2 | 93% | 0.932 | 75% | 0.75 | S | S | * | * | trans | -74.8 | 58.2 | 175.1 | -162.4 | 77.8 | 0 | 0 | 0 | 109.5 | R261 S265 | R261-L263 PolarHBondContact O-N 3.26Å; L263-S265 VanDerWaalsContact C-N 3.31Å; L263-S265 PolarHBondContact O-N 3.01Å; L263-S265 VanDerWaalsContact O-N 3.15Å | ||
| 264 | G | 35.5 | Very low | 43 | Very low | 72 Ų | 72 | 114.9 Ų | 114.9 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -83.5 | 73.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | A262 S266 | A262-G264 PolarHBondContact O-N 2.62Å; G264-S266 PolarHBondContact O-N 3.08Å | ||
| 265 | S | 40.6 | Very low | 41.9 | Very low | 110 Ų | 110 | 113.3 Ų | 113.3 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -76.9 | 110.7 | 171.4 | -178.7 | 0 | 0 | 0 | 0 | 110.3 | L263 | L263-S265 VanDerWaalsContact C-N 3.31Å; L263-S265 PolarHBondContact O-N 3.01Å; L263-S265 VanDerWaalsContact O-N 3.15Å | ||
| 266 | S | 38.3 | Very low | 40.9 | Very low | 117 Ų | 117 | 119.3 Ų | 119.3 | 82% | 0.818 | 79% | 0.786 | S | S | * | * | 173.4 | 146.4 | 128.5 | 39.4 | 0 | 0 | 0 | 0 | 110.5 | G264 | G264-S266 PolarHBondContact O-N 3.08Š| |||
| 267 | G | 34.1 | Very low | 39.9 | Very low | 63 Ų | 63 | 120.9 Ų | 120.9 | 65% | 0.649 | 80% | 0.796 | S | S | * | * | trans | -87.7 | 178.7 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 268 | P | 47.2 | Very low | 38.8 | Very low | 133 Ų | 133 | 118.2 Ų | 118.2 | 86% | 0.864 | 79% | 0.793 | S | S | * | * | trans | -79 | 145 | 174.4 | 33.9 | -33.8 | 0 | 0 | 0 | 111.4 | ||||
| 269 | P | 38.1 | Very low | 38.5 | Very low | 122 Ų | 122 | 116.7 Ų | 116.7 | 79% | 0.792 | 80% | 0.804 | S | S | * | * | trans | -126.8 | 157.6 | 137.8 | 35.7 | -26.7 | 0 | 0 | 0 | 112.4 | ||||
| 270 | S | 40.6 | Very low | 38.6 | Very low | 112 Ų | 112 | 119.4 Ų | 119.4 | 78% | 0.783 | 81% | 0.809 | S | S | * | * | trans | -80.6 | 175.4 | -177.9 | -48.2 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 271 | D | 34.2 | Very low | 38.4 | Very low | 172 Ų | 172 | 120.4 Ų | 120.4 | 92% | 0.92 | 81% | 0.81 | S | S | * | * | trans | 76.7 | 149.4 | 158.3 | -83.8 | -20.3 | 0 | 0 | 0 | 120.5 | ||||
| 272 | G | 34.5 | Very low | 38.5 | Very low | 76 Ų | 76 | 113.7 Ų | 113.7 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | 120.9 | 67.2 | 152.6 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 273 | T | 37.4 | Very low | 38.1 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 92% | 0.92 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 132.6 | 162.4 | -48.5 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 274 | A | 35.3 | Very low | 37.2 | Very low | 101 Ų | 101 | 118.2 Ų | 118.2 | 84% | 0.835 | 80% | 0.797 | S | S | * | * | trans | 122.1 | 131.7 | 150.2 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 275 | G | 32.2 | Very low | 36.9 | Very low | 68 Ų | 68 | 121.4 Ų | 121.4 | 70% | 0.701 | 80% | 0.796 | S | S | * | * | trans | 131.6 | 98.6 | 139 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 276 | L | 35 | Very low | 36.5 | Very low | 165 Ų | 165 | 124 Ų | 124 | 86% | 0.864 | 80% | 0.796 | S | S | * | * | trans | 83.3 | 114.9 | 133.7 | -53.2 | 179.3 | 0 | 0 | 0 | 123 | ||||
| 277 | V | 33.6 | Very low | 36.1 | Very low | 137 Ų | 137 | 123.7 Ų | 123.7 | 83% | 0.83 | 79% | 0.786 | S | S | * | * | 69 | 131.8 | 124.7 | -175.7 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 278 | G | 28.3 | Very low | 35.9 | Very low | 67 Ų | 67 | 129.9 Ų | 129.9 | 69% | 0.691 | 80% | 0.795 | S | S | * | * | trans | -84.1 | -151 | 176 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 279 | P | 46.9 | Very low | 35.4 | Very low | 129 Ų | 129 | 130.6 Ų | 130.6 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | cis | -131 | -179.3 | 20.5 | 43 | -27.1 | 0 | 0 | 0 | 116.2 | ||||
| 280 | P | 47 | Very low | 35.5 | Very low | 126 Ų | 126 | 130.4 Ų | 130.4 | 82% | 0.818 | 79% | 0.785 | S | S | * | * | trans | -119.6 | 157.1 | -178.6 | 40.5 | -30 | 0 | 0 | 0 | 116.2 | ||||
| 281 | A | 33.8 | Very low | 35.1 | Very low | 94 Ų | 94 | 130.7 Ų | 130.7 | 78% | 0.777 | 78% | 0.778 | S | S | * | * | trans | 167.3 | 163.6 | 154.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 282 | P | 46.3 | Very low | 35.1 | Very low | 104 Ų | 104 | 131.2 Ų | 131.2 | 68% | 0.675 | 78% | 0.775 | S | S | * | * | cis | -139.6 | 153.4 | -29.5 | 35 | -16.8 | 0 | 0 | 0 | 116.5 | ||||
| 283 | R | 31.2 | Very low | 35.3 | Very low | 238 Ų | 238 | 132.3 Ų | 132.3 | 90% | 0.898 | 78% | 0.776 | S | S | * | * | trans | 62.6 | 141.6 | 146.5 | -62.6 | 171 | -176.4 | -172.4 | -0.4 | 118.2 | ||||
| 284 | V | 30.7 | Very low | 35.2 | Very low | 127 Ų | 127 | 134.7 Ų | 134.7 | 77% | 0.77 | 78% | 0.777 | S | S | * | * | -161.6 | 148.4 | 67.8 | 155.8 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 285 | L | 29.8 | Very low | 35.2 | Very low | 139 Ų | 139 | 135.3 Ų | 135.3 | 73% | 0.728 | 78% | 0.775 | S | S | * | * | trans | 4.5 | 145.7 | 158.3 | -68.1 | 143.9 | 0 | 0 | 0 | 119.4 | ||||
| 286 | Q | 31.5 | Very low | 35.7 | Very low | 163 Ų | 163 | 139.3 Ų | 139.3 | 76% | 0.762 | 78% | 0.781 | S | S | * | * | cis | -166.7 | 152.3 | 46.5 | -143.9 | 156.2 | 34.9 | 0 | 0 | 113.3 | ||||
| 287 | N | 30.8 | Very low | 36.1 | Very low | 112 Ų | 112 | 140 Ų | 140 | 60% | 0.599 | 78% | 0.779 | S | S | * | * | trans | -7.1 | 151.9 | 164.6 | -46.9 | 13.4 | 0 | 0 | 0 | 119.9 | ||||
| 288 | F | 30.3 | Very low | 36.6 | Very low | 193 Ų | 193 | 141 Ų | 141 | 85% | 0.846 | 78% | 0.78 | S | S | * | * | cis | -155.5 | 160.1 | 41.3 | -82.5 | -88.4 | 0 | 0 | 0 | 114.7 | ||||
| 289 | H | 36.2 | Very low | 37.1 | Very low | 148 Ų | 148 | 144.9 Ų | 144.9 | 69% | 0.685 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 162.1 | 167.6 | -141.9 | -121.2 | 0 | 0 | 0 | 110.5 | D291 | H289-D291 PolarHBondContact CE1-N 2.97Š| ||
| 290 | P | 40 | Very low | 36.7 | Very low | 117 Ų | 117 | 146.4 Ų | 146.4 | 76% | 0.76 | 79% | 0.786 | S | S | * | * | cis | -139.8 | 138.1 | 41.3 | 38.3 | -17.6 | 0 | 0 | 0 | 120.5 | ||||
| 291 | D | 32 | Very low | 36.7 | Very low | 118 Ų | 118 | 145.3 Ų | 145.3 | 63% | 0.631 | 78% | 0.777 | S | S | * | * | trans | -86.2 | 135.7 | 158.5 | -76.5 | -35.5 | 0 | 0 | 0 | 112.1 | H289 | H289-D291 PolarHBondContact CE1-N 2.97Š| ||
| 292 | E | 35 | Very low | 36.8 | Very low | 184 Ų | 184 | 147 Ų | 147 | 86% | 0.86 | 78% | 0.777 | S | S | * | * | 49.5 | 133.7 | 125.6 | -50.7 | -160.6 | 137.4 | 0 | 0 | 122 | |||||
| 293 | A | 38.2 | Very low | 36.6 | Very low | 99 Ų | 99 | 149.3 Ų | 149.3 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | -134.1 | 125 | 158 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 294 | E | 36.1 | Very low | 36.8 | Very low | 200 Ų | 200 | 146.2 Ų | 146.2 | 94% | 0.935 | 78% | 0.778 | S | S | * | * | trans | -64.9 | 149.3 | 175.4 | -61.9 | 162 | 114.6 | 0 | 0 | 111.2 | ||||
| 295 | S | 35.2 | Very low | 36.9 | Very low | 114 Ų | 114 | 143.8 Ų | 143.8 | 80% | 0.797 | 78% | 0.779 | S | S | * | * | trans | -155.6 | 101.6 | 153.8 | -162.4 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 296 | D | 41.1 | Very low | 36.9 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 81% | 0.813 | 78% | 0.776 | S | S | * | * | trans | -63.6 | 155.3 | 142.4 | -78.8 | -41.1 | 0 | 0 | 0 | 108.7 | ||||
| 297 | E | 43.9 | Very low | 37 | Very low | 179 Ų | 179 | 142 Ų | 142 | 84% | 0.836 | 78% | 0.779 | S | S | * | * | trans | 176.5 | 131.2 | 130.2 | -98.3 | -178.9 | 178.4 | 0 | 0 | 110.7 | ||||
| 298 | D | 43.3 | Very low | 37.2 | Very low | 158 Ų | 158 | 145 Ų | 145 | 85% | 0.845 | 79% | 0.789 | S | S | * | * | trans | -59.4 | 146.6 | 174.1 | -60 | -94.7 | 0 | 0 | 0 | 112.7 | ||||
| 299 | N | 39.3 | Very low | 37.5 | Very low | 149 Ų | 149 | 141.1 Ų | 141.1 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | -154.5 | 94.9 | 153.3 | -96.1 | -71 | 0 | 0 | 0 | 111.4 | ||||
| 300 | D | 38.3 | Very low | 37.3 | Very low | 160 Ų | 160 | 139 Ų | 139 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -84.4 | 121.3 | 167.5 | -151.8 | 5.1 | 0 | 0 | 0 | 108.4 | ||||
| 301 | V | 48.5 | Very low | 37.1 | Very low | 103 Ų | 103 | 144.5 Ų | 144.5 | 62% | 0.624 | 80% | 0.796 | S | S | * | * | trans | -132.9 | 99 | 179.6 | -174.1 | 0 | 0 | 0 | 0 | 111.2 | I303 | V301-I303 HydrophobicContact CG1-CD1 4.26Å; V301-I303 HydrophobicContact CG1-CG1 3.89Å | ||
| 302 | V | 35.4 | Very low | 37.5 | Very low | 130 Ų | 130 | 145.1 Ų | 145.1 | 79% | 0.788 | 81% | 0.807 | S | S | * | * | trans | -81.8 | 125.6 | 164.9 | 177.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 303 | I | 41.8 | Very low | 37.2 | Very low | 152 Ų | 152 | 141.9 Ų | 141.9 | 78% | 0.779 | 80% | 0.8 | S | S | * | * | trans | -118.2 | 106.3 | 165.6 | -55.1 | -173.6 | 0 | 0 | 0 | 109.1 | V301 | V301-I303 HydrophobicContact CG1-CD1 4.26Å; V301-I303 HydrophobicContact CG1-CG1 3.89Å | ||
| 304 | E | 34.6 | Very low | 37 | Very low | 174 Ų | 174 | 146.3 Ų | 146.3 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -83.6 | 134.4 | 167.8 | -173.8 | 174.5 | -158.6 | 0 | 0 | 109.4 | ||||
| 305 | G | 32.7 | Very low | 36.9 | Very low | 76 Ų | 76 | 141 Ų | 141 | 78% | 0.784 | 79% | 0.794 | S | S | * | * | trans | -151.8 | 120 | 179 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 306 | T | 31.5 | Very low | 37.5 | Very low | 108 Ų | 108 | 141.9 Ų | 141.9 | 66% | 0.663 | 80% | 0.797 | S | S | * | * | trans | -116.1 | 161.2 | -170.1 | -39.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 307 | L | 33.7 | Very low | 36.9 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | 78.2 | 143.7 | 170.6 | -45.4 | 173 | 0 | 0 | 0 | 115.2 | ||||
| 308 | E | 34.4 | Very low | 36.6 | Very low | 175 Ų | 175 | 134.5 Ų | 134.5 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | cis | -157.5 | 170.5 | -18.5 | -123.6 | -132.8 | 122.8 | 0 | 0 | 107.9 | ||||
| 309 | P | 36.5 | Very low | 36.8 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 71% | 0.714 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -93.6 | 140 | -168.2 | 35.7 | -31.9 | 0 | 0 | 0 | 115.3 | ||
| 310 | A | 31.8 | Very low | 36.5 | Very low | 103 Ų | 103 | 130.7 Ų | 130.7 | 85% | 0.851 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 133.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||
| 311 | R | 36.6 | Very low | 36.1 | Very low | 234 Ų | 234 | 126.4 Ų | 126.4 | 88% | 0.883 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -84.7 | 161.2 | 171.4 | -66.4 | 174.8 | 171.5 | 172 | -3.3 | 112 | ||
| 312 | P | 39.3 | Very low | 35.3 | Very low | 130 Ų | 130 | 127 Ų | 127 | 84% | 0.844 | 80% | 0.798 | S | S | * | * | trans | -112.3 | 160.5 | 141.8 | -2.4 | 23.1 | 0 | 0 | 0 | 113.2 | ||||
| 313 | T | 30 | Very low | 35.2 | Very low | 117 Ų | 117 | 128.2 Ų | 128.2 | 72% | 0.718 | 80% | 0.8 | S | S | * | * | trans | -115.6 | 142.5 | -169.8 | 39.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 314 | Q | 32.1 | Very low | 34.7 | Very low | 191 Ų | 191 | 126.1 Ų | 126.1 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | 66.6 | 142.8 | 144.4 | -68.1 | -177.6 | 4 | 0 | 0 | 122 | ||||
| 315 | A | 35.3 | Very low | 34.6 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 74% | 0.736 | 80% | 0.802 | S | S | * | * | trans | -94.5 | 177.1 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 316 | P | 46.4 | Very low | 34.7 | Very low | 133 Ų | 133 | 132.1 Ų | 132.1 | 86% | 0.864 | 81% | 0.805 | S | S | * | * | -141.3 | 171.9 | 100.5 | 38 | -25 | 0 | 0 | 0 | 112.4 | |||||
| 317 | G | 29.8 | Very low | 34.7 | Very low | 77 Ų | 77 | 134.6 Ų | 134.6 | 79% | 0.794 | 81% | 0.814 | S | S | * | * | cis | -178.8 | 160.5 | -2.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 318 | A | 36.8 | Very low | 34.5 | Very low | 99 Ų | 99 | 131 Ų | 131 | 82% | 0.818 | 82% | 0.815 | S | S | * | * | trans | -93.8 | 164.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 319 | P | 48 | Very low | 34.3 | Very low | 124 Ų | 124 | 127.9 Ų | 127.9 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | -144.1 | 176.9 | 95.7 | 32.1 | -14.2 | 0 | 0 | 0 | 112.7 | |||||
| 320 | A | 33.7 | Very low | 34.1 | Very low | 102 Ų | 102 | 125.8 Ų | 125.8 | 84% | 0.843 | 82% | 0.818 | S | S | * | * | cis | 166 | 141.6 | -25.8 | 0 | 0 | 0 | 0 | 0 | 105.9 | ||||
| 321 | G | 29.1 | Very low | 34.2 | Very low | 71 Ų | 71 | 129.5 Ų | 129.5 | 73% | 0.732 | 82% | 0.822 | S | S | * | * | trans | 138.2 | 95.9 | -177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 322 | S | 31.9 | Very low | 34 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 80% | 0.804 | 81% | 0.814 | S | S | * | * | 53.6 | 121.9 | 65.1 | -114.1 | 0 | 0 | 0 | 0 | 111 | |||||
| 323 | L | 33.1 | Very low | 33.7 | Very low | 156 Ų | 156 | 125 Ų | 125 | 82% | 0.817 | 82% | 0.815 | S | S | * | * | cis | -153.7 | 175.1 | 15.7 | -78.2 | 177.7 | 0 | 0 | 0 | 108.5 | ||||
| 324 | S | 32.4 | Very low | 33.8 | Very low | 107 Ų | 107 | 130.1 Ų | 130.1 | 75% | 0.748 | 82% | 0.821 | S | S | * | * | cis | -164.2 | 177.5 | -1.8 | 31.8 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 325 | R | 31.4 | Very low | 33.9 | Very low | 238 Ų | 238 | 128.3 Ų | 128.3 | 90% | 0.898 | 82% | 0.816 | S | S | * | * | trans | -35.1 | 152.5 | 165.6 | -60.7 | 169.5 | 167.9 | 173.5 | -5.5 | 117.6 | ||||
| 326 | V | 35 | Very low | 33.8 | Very low | 139 Ų | 139 | 131.3 Ų | 131.3 | 84% | 0.842 | 82% | 0.815 | S | S | * | * | -175.7 | 155.5 | 107.3 | 148.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 327 | N | 30.5 | Very low | 33.2 | Very low | 160 Ų | 160 | 136.7 Ų | 136.7 | 86% | 0.856 | 82% | 0.818 | S | S | * | * | trans | -63.5 | 165.3 | -176.8 | -50.2 | -35.6 | 0 | 0 | 0 | 116 | ||||
| 328 | G | 29.5 | Very low | 33.3 | Very low | 81 Ų | 81 | 139.3 Ų | 139.3 | 84% | 0.835 | 81% | 0.814 | S | S | * | * | trans | 176 | 113.3 | 157.6 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 329 | A | 31.7 | Very low | 33.1 | Very low | 110 Ų | 110 | 142.4 Ų | 142.4 | 91% | 0.909 | 82% | 0.816 | S | S | * | * | trans | -83.9 | 173.2 | -175.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 330 | G | 31.1 | Very low | 32.4 | Very low | 66 Ų | 66 | 140.1 Ų | 140.1 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | trans | 113.5 | 112.5 | 159.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 331 | L | 34.3 | Very low | 32.4 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 95% | 0.948 | 81% | 0.811 | S | S | * | * | 72.7 | 129 | 60.6 | -78.2 | 175.6 | 0 | 0 | 0 | 117 | |||||
| 332 | A | 32.8 | Very low | 32.5 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 71% | 0.711 | 82% | 0.819 | S | S | * | * | trans | 86.8 | 124.5 | 153.8 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 333 | Q | 32.1 | Very low | 32.5 | Very low | 183 Ų | 183 | 146.1 Ų | 146.1 | 86% | 0.855 | 82% | 0.816 | S | S | * | * | 31.6 | 143 | 129.6 | -54.8 | 178.5 | -3.8 | 0 | 0 | 118.7 | |||||
| 334 | R | 32.3 | Very low | 32.4 | Very low | 224 Ų | 224 | 142 Ų | 142 | 85% | 0.845 | 81% | 0.812 | S | S | * | * | cis | -173.3 | 161.6 | 48.4 | -162.8 | 174.7 | -179.9 | -173.9 | 0 | 111.3 | ||||
| 335 | L | 34.4 | Very low | 32.6 | Very low | 153 Ų | 153 | 144.7 Ų | 144.7 | 80% | 0.801 | 82% | 0.816 | S | S | * | * | trans | -60.4 | 150.7 | 166.9 | -65.6 | 150.5 | 0 | 0 | 0 | 112.6 | ||||
| 336 | Q | 33.3 | Very low | 32.7 | Very low | 153 Ų | 153 | 141.4 Ų | 141.4 | 72% | 0.715 | 81% | 0.811 | S | S | * | * | 176.7 | 127.4 | 118.5 | -139.9 | 85.4 | 10.4 | 0 | 0 | 111.6 | |||||
| 337 | R | 35 | Very low | 32.9 | Very low | 245 Ų | 245 | 145.3 Ų | 145.3 | 93% | 0.925 | 81% | 0.811 | S | S | * | * | 174.6 | 137.2 | 119.2 | -101.7 | -179.7 | 166.9 | 145.3 | -1.5 | 114.1 | |||||
| 338 | D | 30.3 | Very low | 33.1 | Very low | 133 Ų | 133 | 146 Ų | 146 | 71% | 0.711 | 81% | 0.814 | S | S | * | * | trans | -80.9 | 167.1 | 175.4 | -51.9 | -90.9 | 0 | 0 | 0 | 113.8 | ||||
| 339 | L | 33.9 | Very low | 33.2 | Very low | 163 Ų | 163 | 149.5 Ų | 149.5 | 85% | 0.853 | 81% | 0.812 | S | S | * | * | 156.5 | 109.6 | 128 | -80.2 | 166.1 | 0 | 0 | 0 | 108.6 | |||||
| 340 | A | 31.6 | Very low | 33.2 | Very low | 76 Ų | 76 | 149.8 Ų | 149.8 | 63% | 0.628 | 81% | 0.808 | S | S | * | * | 69.9 | 101.3 | 85.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 341 | L | 35.1 | Very low | 33.2 | Very low | 175 Ų | 175 | 151.1 Ų | 151.1 | 92% | 0.916 | 81% | 0.807 | S | S | * | * | 79.5 | 106.1 | 91.8 | -78.9 | 172.2 | 0 | 0 | 0 | 114.6 | |||||
| 342 | D | 31.6 | Very low | 33.2 | Very low | 167 Ų | 167 | 150 Ų | 150 | 89% | 0.893 | 80% | 0.801 | S | S | * | * | -162.8 | 142 | 122.2 | -144.1 | 5.7 | 0 | 0 | 0 | 107.9 | |||||
| 343 | G | 31.3 | Very low | 33.1 | Very low | 73 Ų | 73 | 157.4 Ų | 157.4 | 75% | 0.753 | 81% | 0.81 | S | S | * | * | 86.5 | 130.3 | 86.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 344 | G | 31 | Very low | 33.2 | Very low | 70 Ų | 70 | 152.5 Ų | 152.5 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | cis | 168.6 | 148.6 | -6.5 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 345 | L | 35.6 | Very low | 33.2 | Very low | 162 Ų | 162 | 149.1 Ų | 149.1 | 85% | 0.848 | 80% | 0.8 | S | S | * | * | trans | 59.7 | 113 | 145.5 | -81.5 | 175.8 | 0 | 0 | 0 | 122.4 | ||||
| 346 | Q | 34.5 | Very low | 34 | Very low | 169 Ų | 169 | 146.1 Ų | 146.1 | 79% | 0.79 | 79% | 0.789 | S | S | * | * | 145.8 | 153.1 | 115 | -80.5 | -82.7 | 15.7 | 0 | 0 | 116.3 | |||||
| 347 | R | 38.6 | Very low | 33.9 | Very low | 222 Ų | 222 | 149 Ų | 149 | 84% | 0.838 | 79% | 0.794 | S | S | * | * | trans | -82.9 | 160.8 | 179.6 | -64.5 | 166.3 | 160.8 | 160.7 | -7.6 | 112.2 | ||||
| 348 | L | 34.5 | Very low | 33.9 | Very low | 175 Ų | 175 | 146 Ų | 146 | 92% | 0.916 | 79% | 0.79 | S | S | * | * | -159.4 | 162 | 126.7 | -108.7 | 159.6 | 0 | 0 | 0 | 112.2 | |||||
| 349 | L | 31.3 | Very low | 34 | Very low | 153 Ų | 153 | 144.9 Ų | 144.9 | 80% | 0.801 | 79% | 0.793 | S | S | * | * | trans | -111.6 | 173.5 | -167.3 | -87.4 | 161.8 | 0 | 0 | 0 | 112.2 | ||||
| 350 | S | 32.3 | Very low | 34.2 | Very low | 117 Ų | 117 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 80 | 155.6 | 155.1 | 80.5 | 0 | 0 | 0 | 0 | 118 | ||||
| 351 | S | 32.1 | Very low | 34.3 | Very low | 93 Ų | 93 | 146.1 Ų | 146.1 | 65% | 0.65 | 80% | 0.802 | S | S | * | * | cis | -176.3 | 164.3 | -27.9 | -174.1 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 352 | L | 33.6 | Very low | 34.7 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 83% | 0.827 | 80% | 0.802 | S | S | * | * | trans | 69.6 | 155.1 | 170.4 | -42.7 | 177 | 0 | 0 | 0 | 114.6 | ||||
| 353 | R | 31.7 | Very low | 35.4 | Very low | 241 Ų | 241 | 143.7 Ų | 143.7 | 91% | 0.909 | 80% | 0.795 | S | S | * | * | cis | -153.5 | 169.4 | 10 | -150.6 | 174.6 | -174.1 | 173.8 | 0.9 | 110 | ||||
| 354 | A | 32.6 | Very low | 35.9 | Very low | 81 Ų | 81 | 146.5 Ų | 146.5 | 67% | 0.669 | 80% | 0.8 | S | S | * | * | trans | -101.5 | 160.7 | -171.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 355 | D | 32.1 | Very low | 36.2 | Very low | 153 Ų | 153 | 146.8 Ų | 146.8 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 68.2 | 163.9 | 145.9 | -91.3 | -23.6 | 0 | 0 | 0 | 121.1 | ||||
| 356 | P | 51.2 | Low | 36.1 | Very low | 89 Ų | 89 | 143 Ų | 143 | 58% | 0.578 | 80% | 0.803 | S | S | * | * | cis | -144 | 179.1 | -27.8 | 37.4 | -18.6 | 0 | 0 | 0 | 116.6 | ||||
| 357 | R | 32.9 | Very low | 36.6 | Very low | 214 Ų | 214 | 141.5 Ų | 141.5 | 81% | 0.808 | 81% | 0.805 | S | S | * | * | trans | 93.9 | 146.5 | 151.5 | -64.3 | -171 | 171.6 | 120.3 | 2.7 | 122.8 | ||||
| 358 | H | 33.4 | Very low | 36.9 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | 72 | 141.2 | 173.3 | -59.8 | -78.4 | 0 | 0 | 0 | 116 | ||||
| 359 | S | 32.2 | Very low | 37.6 | Very low | 110 Ų | 110 | 140.7 Ų | 140.7 | 77% | 0.769 | 81% | 0.807 | S | S | * | * | cis | -146.4 | 164.1 | 5.6 | -171.6 | 0 | 0 | 0 | 0 | 112 | ||||
| 360 | L | 39.6 | Very low | 38.3 | Very low | 171 Ų | 171 | 142.3 Ų | 142.3 | 90% | 0.895 | 81% | 0.81 | S | S | * | * | trans | -64.9 | 134.6 | 168.9 | -71.3 | 157.1 | 0 | 0 | 0 | 111.9 | ||||
| 361 | A | 32.6 | Very low | 39.4 | Very low | 95 Ų | 95 | 139.6 Ų | 139.6 | 79% | 0.785 | 80% | 0.8 | S | S | * | * | trans | -157.8 | 123.9 | 157.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 362 | L | 44.3 | Very low | 40.2 | Very low | 175 Ų | 175 | 141.1 Ų | 141.1 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -99.1 | 131.8 | 169.1 | -75.4 | 165.9 | 0 | 0 | 0 | 109.4 | ||
| 363 | P | 45.8 | Very low | 40.7 | Very low | 115 Ų | 115 | 136.7 Ų | 136.7 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -103.3 | 149.6 | 155.8 | 34.6 | -27.4 | 0 | 0 | 0 | 111.4 | ||
| 364 | P | 42.9 | Very low | 42.1 | Very low | 132 Ų | 132 | 128.7 Ų | 128.7 | 86% | 0.857 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -90 | 161.9 | -179.3 | 36.5 | -35.4 | 0 | 0 | 0 | 113 | ||
| 365 | G | 36.8 | Very low | 42.4 | Very low | 77 Ų | 77 | 128.9 Ų | 128.9 | 79% | 0.794 | 76% | 0.764 | S | S | * | * | trans | 95.3 | 74.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | V367 | G365-V367 PolarHBondContact O-N 3.07Š| ||
| 366 | G | 32.3 | Very low | 43.1 | Very low | 82 Ų | 82 | 122.7 Ų | 122.7 | 85% | 0.845 | 73% | 0.731 | S | S | * | * | trans | -76.2 | 113.7 | 164.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 367 | V | 45.1 | Very low | 42.7 | Very low | 137 Ų | 137 | 124.4 Ų | 124.4 | 83% | 0.83 | 74% | 0.739 | S | S | * | * | trans | -77.2 | 135.4 | 153.1 | -82.7 | 0 | 0 | 0 | 0 | 108 | G365 E369 | G365-V367 PolarHBondContact O-N 3.07Å; V367-E369 PolarHBondContact O-N 2.94Å | ||
| 368 | E | 46.6 | Very low | 43.2 | Very low | 193 Ų | 193 | 119.6 Ų | 119.6 | 90% | 0.902 | 74% | 0.735 | S | S | * | * | trans | -67.4 | 104.1 | -180 | -67.6 | -177 | 113.7 | 0 | 0 | 110.2 | ||||
| 369 | E | 48.3 | Very low | 43.8 | Very low | 188 Ų | 188 | 116.2 Ų | 116.2 | 88% | 0.879 | 73% | 0.729 | S | S | * | * | trans | -79.4 | 122.9 | 176 | -162 | 176.5 | -165.9 | 0 | 0 | 109.9 | V367 G371 | V367-E369 PolarHBondContact O-N 2.94Å; E369-G371 PolarHBondContact O-N 3.02Å; E369-G371 VanDerWaalsContact O-N 3.11Å | ||
| 370 | H | 45.6 | Very low | 44.4 | Very low | 187 Ų | 187 | 116.6 Ų | 116.6 | 87% | 0.866 | 73% | 0.727 | S | S | * | * | trans | -66.4 | 110.4 | 177.9 | -75.4 | -79.4 | 0 | 0 | 0 | 110.7 | ||||
| 371 | G | 56.3 | Low | 44.7 | Very low | 60 Ų | 60 | 113.2 Ų | 113.2 | 62% | 0.619 | 72% | 0.717 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 153.5 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | E369 A373 | E369-G371 PolarHBondContact O-N 3.02Å; E369-G371 VanDerWaalsContact O-N 3.11Å; G371-A373 PolarHBondContact O-N 3.32Å |
| 372 | P | 48.4 | Very low | 45.6 | Very low | 125 Ų | 125 | 114.4 Ų | 114.4 | 81% | 0.812 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 124 | -170.6 | 25.5 | -34.4 | 0 | 0 | 0 | 112.3 | ||
| 373 | A | 45.1 | Very low | 45.7 | Very low | 64 Ų | 64 | 110.1 Ų | 110.1 | 53% | 0.529 | 70% | 0.697 | S | S | . | * | P | Polyproline II helix | trans | -93.5 | 118.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111 | G371 | G371-A373 PolarHBondContact O-N 3.32Š|
| 374 | V | 60.5 | Low | 45.6 | Very low | 73 Ų | 73 | 109.7 Ų | 109.7 | 44% | 0.442 | 69% | 0.694 | S | S | . | * | P | Polyproline II helix | trans | -94.3 | 138.1 | 178.6 | -178.1 | 0 | 0 | 0 | 0 | 110.9 | Y173 T233 | Y173-V374 WeakPolarHBondContact CD1-O 3.43Å; Y173-V374 WeakPolarHBondContact CE1-O 3.45Å; T233-V374 HydrophobicContact CG2-CG1 4.31Å |
| 375 | T | 38.1 | Very low | 45.9 | Very low | 85 Ų | 85 | 107.8 Ų | 107.8 | 52% | 0.521 | 68% | 0.68 | S | S | . | * | P | Polyproline II helix | trans | -85.1 | 133.6 | -177.9 | -60.3 | 0 | 0 | 0 | 0 | 112.9 | Y173 | Y173-T375 VanDerWaalsContact CE1-CA 3.42Å; Y173-T375 HydrophobicContact CE1-CG2 4.33Å; Y173-T375 WeakPolarHBondContact CE1-OG1 3.33Å; Y173-T375 WeakPolarHBondContact OH-CG2 3.39Å; Y173-T375 PolarHBondContact OH-OG1 2.85Å; Y173-T375 VanDerWaalsContact OH-OG1 3.13Å |
| 376 | L | 47.4 | Very low | 46.7 | Very low | 23 Ų | 23 | 110.6 Ų | 110.6 | 12% | 0.12 | 67% | 0.67 | C | S | . | * | trans | -119.4 | 0 | 176.4 | -75.5 | 175 | 0 | 0 | 0 | 112 | P169 L170 I174 T233 M236 I237 | P169-L376 WeakPolarHBondContact CB-O 3.44Å; P169-L376 WeakPolarHBondContact CB-OXT 3.32Å; L170-L376 PolarHBondContact N-OXT 3.28Å; I174-L376 HydrophobicContact CD1-CD1 4.25Å; I174-L376 HydrophobicContact CG1-CD1 3.96Å; T233-L376 HydrophobicContact CG2-CD2 3.59Å; T233-L376 HydrophobicContact CG2-CG 4.3Å; M236-L376 HydrophobicContact CB-CD2 4.37Å; M236-L376 HydrophobicContact SD-CD1 3.93Å; I237-L376 HydrophobicContact CD1-CD2 3.94Å; I237-L376 HydrophobicContact CG1-CD2 3.53Å |
Retrieved 376 of 376 residues in 117.9 ms
(Link to these results)