| 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 | 41.5 | Very low | 46.3 | Very low | 242 Ų | 242 | 156 Ų | 156 | 100% | 1.192 | 73% | 0.731 | S | S | * | * | 0 | 13.1 | 0 | -82.3 | -172.1 | 173.6 | 0 | 0 | 114.6 | |||||
| 2 | R | 41.2 | Very low | 46.6 | Very low | 229 Ų | 229 | 158 Ų | 158 | 86% | 0.864 | 74% | 0.736 | S | S | * | * | trans | -92.2 | -2.6 | -176.5 | -76.1 | -176 | -175.5 | 171.8 | 2.6 | 115.9 | ||||
| 3 | D | 50.9 | Low | 47.7 | Very low | 133 Ų | 133 | 151.5 Ų | 151.5 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | S | Bend | trans | -95.4 | -17.3 | -167.3 | -57.8 | -56 | 0 | 0 | 0 | 116.7 | ||
| 4 | A | 49.8 | Very low | 49.7 | Very low | 82 Ų | 82 | 152 Ų | 152 | 68% | 0.678 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -78.6 | -23.2 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D6 | A4-D6 VanDerWaalsContact C-N 3.33Å |
| 5 | A | 47.5 | Very low | 51.8 | Low | 53 Ų | 53 | 147.5 Ų | 147.5 | 44% | 0.438 | 71% | 0.708 | S | S | . | * | H | α-helix | trans | -74.8 | -24.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R9 | A5-R9 PolarHBondContact O-N 3.11Å |
| 6 | D | 46.8 | Very low | 53.8 | Low | 95 Ų | 95 | 142.5 Ų | 142.5 | 51% | 0.508 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -79.8 | -36.4 | -174.8 | -159 | 37.4 | 0 | 0 | 0 | 112.6 | A4 R8 R9 R10 | A4-D6 VanDerWaalsContact C-N 3.33Å; D6-R8 VanDerWaalsContact C-N 3.33Å; D6-R8 PolarHBondContact O-N 3.11Å; D6-R9 WeakPolarHBondContact O-CB 3.5Å; D6-R9 PolarHBondContact O-N 3.38Å; D6-R9 VanDerWaalsContact O-N 3.11Å; D6-R10 PolarHBondContact O-N 3.23Å |
| 7 | L | 46.6 | Very low | 55.5 | Low | 140 Ų | 140 | 141.1 Ų | 141.1 | 73% | 0.733 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -64.9 | -34.4 | 174.6 | -104.6 | 80.7 | 0 | 0 | 0 | 113.1 | R9 | L7-R9 VanDerWaalsContact C-N 3.33Å |
| 8 | R | 45 | Very low | 57.4 | Low | 211 Ų | 211 | 141.9 Ų | 141.9 | 80% | 0.796 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -74.4 | -24.6 | 174.6 | -68 | -174.1 | -178.1 | -174.3 | 1.2 | 112.5 | D6 | D6-R8 VanDerWaalsContact C-N 3.33Å; D6-R8 PolarHBondContact O-N 3.11Å |
| 9 | R | 45.2 | Very low | 59.4 | Low | 167 Ų | 167 | 137.3 Ų | 137.3 | 63% | 0.63 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -73.9 | -32.7 | 177.9 | -122.1 | -178.5 | -88.2 | 169.1 | -10.2 | 112.3 | A5 D6 L7 H11 K12 | A5-R9 PolarHBondContact O-N 3.11Å; D6-R9 WeakPolarHBondContact O-CB 3.5Å; D6-R9 PolarHBondContact O-N 3.38Å; D6-R9 VanDerWaalsContact O-N 3.11Å; L7-R9 VanDerWaalsContact C-N 3.33Å; R9-H11 PolarHBondContact O-N 3.18Å; R9-H11 VanDerWaalsContact O-N 3.15Å; R9-K12 PolarHBondContact O-N 3.15Å |
| 10 | R | 45.3 | Very low | 61.2 | Low | 222 Ų | 222 | 133.8 Ų | 133.8 | 84% | 0.838 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -61.2 | -21.8 | 177.7 | -108 | 179.8 | 172.7 | -175.7 | -0.5 | 115.2 | D6 | D6-R10 PolarHBondContact O-N 3.23Å |
| 11 | H | 49 | Very low | 63 | Low | 142 Ų | 142 | 127.4 Ų | 127.4 | 66% | 0.657 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -96.8 | -19 | 175.8 | -99.4 | -46.5 | 0 | 0 | 0 | 114.8 | R9 G13 | R9-H11 PolarHBondContact O-N 3.18Å; R9-H11 VanDerWaalsContact O-N 3.15Å; H11-G13 VanDerWaalsContact C-N 3.32Å; H11-G13 PolarHBondContact O-N 3.48Å |
| 12 | K | 50.5 | Low | 65.7 | Low | 180 Ų | 180 | 121.5 Ų | 121.5 | 78% | 0.783 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -74.5 | -18.9 | 177.8 | -85.6 | -172.9 | 173.3 | -173.6 | 0 | 113.8 | R9 | R9-K12 PolarHBondContact O-N 3.15Å |
| 13 | G | 61.2 | Low | 68.4 | Low | 73 Ų | 73 | 110.6 Ų | 110.6 | 75% | 0.753 | 55% | 0.552 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.4 | -6.8 | -177.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | H11 | H11-G13 VanDerWaalsContact C-N 3.32Å; H11-G13 PolarHBondContact O-N 3.48Å |
| 14 | R | 74.6 | Confident | 70.7 | Confident | 159 Ų | 159 | 104.3 Ų | 104.3 | 60% | 0.6 | 52% | 0.518 | S | S | * | . | S | Bend | trans | -94.4 | -20.2 | -175.1 | -138.6 | -168.9 | -75.4 | -166.4 | -1.7 | 113.9 | S29 | R14-S29 CarbonylContact O-C 3.58Å; R14-S29 WeakPolarHBondContact O-CA 3.31Å |
| 15 | I | 81.5 | Confident | 72.9 | Confident | 85 Ų | 85 | 106.4 Ų | 106.4 | 44% | 0.436 | 51% | 0.514 | S | S | . | . | trans | -93.9 | 117 | -179.3 | -57.8 | 177.2 | 0 | 0 | 0 | 107.9 | L17 H27 | I15-L17 HydrophobicContact CG2-CD2 4.02Å; I15-L17 PolarHBondContact O-N 3.31Å; I15-H27 HydrophobicContact CG2-CB 3.39Å | ||
| 16 | L | 83.9 | Confident | 75.3 | Confident | 67 Ų | 67 | 105 Ų | 105 | 35% | 0.351 | 50% | 0.499 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 97.3 | 173 | -62.9 | 158.7 | 0 | 0 | 0 | 107.2 | D18 I19 S28 F36 | L16-D18 PolarHBondContact O-N 3.32Å; L16-I19 HydrophobicContact CB-CB 3.93Å; L16-I19 HydrophobicContact CB-CD1 4.29Å; L16-I19 HydrophobicContact CB-CG1 4.28Å; L16-I19 HydrophobicContact CD1-CD1 4.05Å; L16-I19 HydrophobicContact CD2-CD1 4.39Å; L16-I19 HydrophobicContact CG-CD1 4.47Å; L16-I19 PolarHBondContact O-N 3.36Å; L16-S28 PolarHBondContact N-O 3.31Å; L16-F36 HydrophobicContact CD1-CD1 4.26Å; L16-F36 HydrophobicContact CD1-CE1 4.15Å |
| 17 | L | 82.6 | Confident | 77.7 | Confident | 118 Ų | 118 | 104.3 Ų | 104.3 | 62% | 0.618 | 49% | 0.493 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -62.8 | -33.7 | -177.5 | -65.2 | 174.7 | 0 | 0 | 0 | 111.9 | I15 I19 H27 | I15-L17 HydrophobicContact CG2-CD2 4.02Å; I15-L17 PolarHBondContact O-N 3.31Å; L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.39Å; L17-H27 PolarHBondContact O-CD2 3.47Å |
| 18 | D | 89.7 | Confident | 80 | Confident | 157 Ų | 157 | 97.6 Ų | 97.6 | 84% | 0.84 | 46% | 0.458 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -85 | -5.6 | -176.2 | -49.9 | -47.5 | 0 | 0 | 0 | 113.6 | L16 | L16-D18 PolarHBondContact O-N 3.32Å |
| 19 | I | 94.9 | Very high | 82.4 | Confident | 54 Ų | 54 | 88.2 Ų | 88.2 | 28% | 0.277 | 42% | 0.424 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 106.6 | -175.6 | -58.9 | 176.9 | 0 | 0 | 0 | 109.4 | L16 L17 S28 F36 | L16-I19 HydrophobicContact CB-CB 3.93Å; L16-I19 HydrophobicContact CB-CD1 4.29Å; L16-I19 HydrophobicContact CB-CG1 4.28Å; L16-I19 HydrophobicContact CD1-CD1 4.05Å; L16-I19 HydrophobicContact CD2-CD1 4.39Å; L16-I19 HydrophobicContact CG-CD1 4.47Å; L16-I19 PolarHBondContact O-N 3.36Å; L17-I19 VanDerWaalsContact C-N 3.33Å; L17-I19 PolarHBondContact O-N 3.39Å; I19-S28 WeakPolarHBondContact O-CA 3.37Å; I19-S28 WeakPolarHBondContact O-CB 3.46Å; I19-S28 PolarHBondContact O-N 3.47Å; I19-F36 HydrophobicContact CD1-CE1 4.11Å; I19-F36 HydrophobicContact CD1-CZ 4.3Å; I19-F36 HydrophobicContact CG2-CB 3.65Å; I19-F36 HydrophobicContact CG2-CD1 3.69Å; I19-F36 HydrophobicContact CG2-CD2 4.02Å; I19-F36 HydrophobicContact CG2-CE1 4.3Å; I19-F36 HydrophobicContact CG2-CG 3.52Å |
| 20 | P | 96.8 | Very high | 84.7 | Confident | 67 Ų | 67 | 81 Ų | 81 | 44% | 0.435 | 40% | 0.401 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 149.4 | -179.8 | 31.3 | -34.8 | 0 | 0 | 0 | 111.9 | K22 | P20-K22 PolarHBondContact O-N 3.27Å |
| 21 | C | 98.3 | Very high | 87.1 | Confident | 0 Ų | 0 | 77.8 Ų | 77.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | trans | -66.1 | 119.2 | 172.3 | 172.8 | 0 | 0 | 0 | 0 | 109.8 | V23 C24 Q25 D26 A37 C38 | C21-V23 PolarHBondContact O-N 3.32Å; C21-V23 PolarHBondContact SG-N 2.88Å; C21-C24 PolarHBondContact O-N 3.33Å; C21-Q25 WeakPolarHBondContact O-CA 3.29Å; C21-Q25 PolarHBondContact O-N 3.37Å; C21-D26 WeakPolarHBondContact CA-O 3.5Å; C21-D26 WeakPolarHBondContact CB-O 3.5Å; C21-D26 PolarHBondContact N-O 3.25Å; C21-A37 VanDerWaalsContact SG-CA 3.57Å; C21-C38 HydrophobicContact CB-CB 4.02Å; C21-C38 PolarHBondContact SG-N 3.29Å | ||
| 22 | K | 98.1 | Very high | 89.5 | Confident | 118 Ų | 118 | 73.1 Ų | 73.1 | 51% | 0.513 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.1 | -19.9 | 179.2 | -67.1 | -165.2 | 173.8 | -167.6 | 0 | 114.4 | P20 I35 F36 V89 | P20-K22 PolarHBondContact O-N 3.27Å; K22-I35 HydrophobicContact CB-CD1 3.97Å; K22-I35 HydrophobicContact CD-CB 4.46Å; K22-F36 PolarHBondContact N-O 3.06Å; K22-V89 HydrophobicContact CB-CB 4.19Å; K22-V89 HydrophobicContact CB-CG1 4.36Å; K22-V89 HydrophobicContact CB-CG2 4.31Å |
| 23 | V | 98.6 | Very high | 91.7 | Very high | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | -49.7 | 179.1 | -177 | 0 | 0 | 0 | 0 | 112.4 | C21 I35 C41 I70 R82 K85 V89 M91 | C21-V23 PolarHBondContact O-N 3.32Å; C21-V23 PolarHBondContact SG-N 2.88Å; V23-I35 HydrophobicContact CG2-CD1 4.17Å; V23-C41 HydrophobicContact CB-CB 4.17Å; V23-C41 HydrophobicContact CG1-CB 4.37Å; V23-C41 HydrophobicContact CG2-CB 4.34Å; V23-I70 HydrophobicContact CG1-CG2 3.96Å; V23-I70 WeakPolarHBondContact O-CG2 3.48Å; V23-R82 HydrophobicContact CG1-CG 4.41Å; V23-K85 HydrophobicContact CG1-CB 4.4Å; V23-K85 HydrophobicContact CG1-CD 4.37Å; V23-K85 HydrophobicContact CG1-CG 4.29Å; V23-K85 WeakPolarHBondContact O-CD 2.97Å; V23-K85 WeakPolarHBondContact O-CE 3.4Å; V23-K85 PolarHBondContact O-NZ 2.95Å; V23-V89 HydrophobicContact CG2-CG2 3.7Å; V23-M91 HydrophobicContact CG2-CE 3.89Å; V23-M91 HydrophobicContact CG2-SD 4.5Å |
| 24 | C | 98.3 | Very high | 93.4 | Very high | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -130.3 | 7.8 | -168.7 | 75 | 0 | 0 | 0 | 0 | 114.8 | C21 D26 C38 C41 I70 D71 K72 R75 | C21-C24 PolarHBondContact O-N 3.33Å; C24-D26 PolarHBondContact O-N 3.29Å; C24-D26 VanDerWaalsContact SG-CB 3.5Å; C24-C38 VanDerWaalsContact SG-SG 3.61Å; C24-C41 VanDerWaalsContact SG-SG 3.66Å; C24-I70 HydrophobicContact CB-CG2 4.16Å; C24-D71 CarbonylContact O-C 3.5Å; C24-D71 VanDerWaalsContact O-C 3.28Å; C24-D71 WeakPolarHBondContact O-CA 3.34Å; C24-K72 PolarHBondContact O-N 3.24Å; C24-R75 HydrophobicContact CB-CB 4.13Å; C24-R75 PolarHBondContact SG-NH1 2.83Å |
| 25 | Q | 97.5 | Very high | 94.5 | Very high | 127 Ų | 127 | 59.1 Ų | 59.1 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | S | Bend | trans | 59.9 | 11.9 | -179.3 | -52.8 | -62.8 | -6.3 | 0 | 0 | 115.8 | C21 | C21-Q25 WeakPolarHBondContact O-CA 3.29Å; C21-Q25 PolarHBondContact O-N 3.37Å |
| 26 | D | 96.9 | Very high | 95.3 | Very high | 23 Ų | 23 | 58.1 Ų | 58.1 | 12% | 0.123 | 31% | 0.305 | C | S | . | . | S | Bend | trans | -76.3 | 163.9 | 169.5 | -165.5 | 13.6 | 0 | 0 | 0 | 110.2 | C21 C24 S28 C38 K72 R75 | C21-D26 WeakPolarHBondContact CA-O 3.5Å; C21-D26 WeakPolarHBondContact CB-O 3.5Å; C21-D26 PolarHBondContact N-O 3.25Å; C24-D26 PolarHBondContact O-N 3.29Å; C24-D26 VanDerWaalsContact SG-CB 3.5Å; D26-S28 PolarHBondContact O-N 2.95Å; D26-C38 HydrophobicContact CB-CB 4.17Å; D26-K72 HydrophobicContact CB-CB 4.21Å; D26-K72 HydrophobicContact CB-CD 4.22Å; D26-K72 HydrophobicContact CB-CG 4.02Å; D26-K72 VanDerWaalsContact OD1-CD 3.31Å; D26-K72 WeakPolarHBondContact OD1-CD 3.33Å; D26-K72 WeakPolarHBondContact OD1-CE 3.3Å; D26-K72 IonicContact OD1-NZ 3.49Å; D26-K72 PolarHBondContact OD1-NZ 2.79Å; D26-R75 IonicContact OD2-CZ 3.73Å; D26-R75 IonicContact OD2-NH1 2.87Å; D26-R75 PolarHBondContact OD2-NH1 2.87Å; D26-R75 IonicContact OD2-NH2 3.33Å; D26-R75 PolarHBondContact OD2-NH2 2.59Å |
| 27 | H | 96.2 | Very high | 96 | Very high | 80 Ų | 80 | 55 Ų | 55 | 37% | 0.37 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 130.7 | -178.4 | -54.9 | 98.7 | 0 | 0 | 0 | 111.7 | I15 L17 C38 | I15-H27 HydrophobicContact CG2-CB 3.39Å; L17-H27 PolarHBondContact O-CD2 3.47Å; H27-C38 WeakPolarHBondContact O-CB 3.44Å |
| 28 | S | 96.2 | Very high | 96.7 | Very high | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 144.9 | 176.8 | -176.8 | 0 | 0 | 0 | 0 | 110.5 | L16 I19 D26 G30 A37 | L16-S28 PolarHBondContact N-O 3.31Å; I19-S28 WeakPolarHBondContact O-CA 3.37Å; I19-S28 WeakPolarHBondContact O-CB 3.46Å; I19-S28 PolarHBondContact O-N 3.47Å; D26-S28 PolarHBondContact O-N 2.95Å; S28-G30 PolarHBondContact OG-N 2.83Å; S28-G30 VanDerWaalsContact OG-N 3.11Å; S28-G30 PolarHBondContact OG-O 3.37Å; S28-A37 VanDerWaalsContact CA-O 3.31Å; S28-A37 WeakPolarHBondContact CA-O 3.49Å; S28-A37 PolarHBondContact OG-N 3.36Å; S28-A37 VanDerWaalsContact OG-N 3.12Å; S28-A37 PolarHBondContact OG-O 2.86Å |
| 29 | S | 94.7 | Very high | 97 | Very high | 14 Ų | 14 | 46.5 Ų | 46.5 | 10% | 0.098 | 24% | 0.244 | C | C | . | . | trans | -100.7 | 14.8 | 169.2 | 54.2 | 0 | 0 | 0 | 0 | 112.6 | R14 H32 A37 D39 | R14-S29 CarbonylContact O-C 3.58Å; R14-S29 WeakPolarHBondContact O-CA 3.31Å; S29-H32 PolarHBondContact OG-NE2 3.22Å; S29-A37 PolarHBondContact N-O 2.71Å; S29-D39 WeakPolarHBondContact CB-OD1 3.37Å; S29-D39 VanDerWaalsContact OG-CG 3.22Å; S29-D39 PolarHBondContact OG-N 2.94Å; S29-D39 PolarHBondContact OG-OD1 2.63Å | ||
| 30 | G | 94.1 | Very high | 97.1 | Very high | 14 Ų | 14 | 45.2 Ų | 45.2 | 14% | 0.144 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 118.5 | -167.6 | -176.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | S28 H32 F36 A37 | S28-G30 PolarHBondContact OG-N 2.83Å; S28-G30 VanDerWaalsContact OG-N 3.11Å; S28-G30 PolarHBondContact OG-O 3.37Å; G30-H32 PolarHBondContact O-CD2 2.96Å; G30-H32 PolarHBondContact O-N 3.32Å; G30-F36 WeakPolarHBondContact O-CA 3.07Å; G30-A37 PolarHBondContact O-N 2.8Å |
| 31 | K | 96.3 | Very high | 97.2 | Very high | 156 Ų | 156 | 42 Ų | 42 | 68% | 0.678 | 22% | 0.223 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 117.4 | 178 | -69.5 | -173.9 | 180 | -179.9 | 0 | 110.6 | I35 F36 | K31-I35 CarbonylContact C-O 3.59Å; K31-I35 VanDerWaalsContact CA-O 3.29Å; K31-I35 WeakPolarHBondContact CA-O 3.2Å; K31-F36 HydrophobicContact CG-CD1 4.07Å; K31-F36 HydrophobicContact CG-CE1 3.82Å; K31-F36 HydrophobicContact CG-CE2 4.47Å; K31-F36 HydrophobicContact CG-CZ 4.04Å |
| 32 | H | 97.6 | Very high | 97.2 | Very high | 44 Ų | 44 | 42.2 Ų | 42.2 | 20% | 0.204 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 120.4 | 173.9 | -63.9 | -84 | 0 | 0 | 0 | 109.4 | S29 G30 G34 I35 A37 D39 A42 | S29-H32 PolarHBondContact OG-NE2 3.22Å; G30-H32 PolarHBondContact O-CD2 2.96Å; G30-H32 PolarHBondContact O-N 3.32Å; H32-G34 PolarHBondContact O-N 3.12Å; H32-I35 PolarHBondContact N-O 2.87Å; H32-I35 PolarHBondContact O-N 3.01Å; H32-A37 HydrophobicContact CB-CB 4.3Å; H32-A37 PolarHBondContact CD2-O 3.24Å; H32-D39 IonicContact CE1-OD1 3.78Å; H32-D39 IonicContact NE2-OD1 3.71Å; H32-A42 HydrophobicContact CB-CB 3.55Å |
| 33 | Y | 97.9 | Very high | 97.2 | Very high | 42 Ų | 42 | 37.2 Ų | 37.2 | 17% | 0.165 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 53 | 39.5 | -179.6 | -41.8 | -72.2 | 0 | 0 | 0 | 113.1 | A42 F45 K46 M91 N92 A95 V96 | Y33-A42 HydrophobicContact CE2-CB 4.04Å; Y33-A42 WeakPolarHBondContact CE2-O 3.49Å; Y33-F45 HydrophobicContact CD1-CD1 4.38Å; Y33-F45 HydrophobicContact CD1-CE1 4.48Å; Y33-F45 AromaticContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CE1 4.28Å; Y33-F45 HydrophobicContact CD2-CG 4.45Å; Y33-F45 HydrophobicContact CE2-CD1 4.09Å; Y33-F45 AromaticContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CE1 4.01Å; Y33-K46 WeakPolarHBondContact OH-CB 3.5Å; Y33-K46 VanDerWaalsContact OH-CD 3.3Å; Y33-K46 WeakPolarHBondContact OH-CD 3.4Å; Y33-M91 WeakPolarHBondContact O-CA 3.01Å; Y33-N92 PolarHBondContact O-N 3.18Å; Y33-A95 HydrophobicContact CD1-CB 4.08Å; Y33-V96 HydrophobicContact CD1-CG2 3.78Å; Y33-V96 HydrophobicContact CE1-CG2 3.75Å |
| 34 | G | 96.9 | Very high | 97.2 | Very high | 63 Ų | 63 | 37.8 Ų | 37.8 | 65% | 0.649 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 97.8 | -14 | 175.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | H32 | H32-G34 PolarHBondContact O-N 3.12Š|
| 35 | I | 97.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 7% | 0.067 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.1 | 159.9 | -177 | 66 | 149 | 0 | 0 | 0 | 113.4 | K22 V23 K31 H32 A37 V89 M91 | K22-I35 HydrophobicContact CB-CD1 3.97Å; K22-I35 HydrophobicContact CD-CB 4.46Å; V23-I35 HydrophobicContact CG2-CD1 4.17Å; K31-I35 CarbonylContact C-O 3.59Å; K31-I35 VanDerWaalsContact CA-O 3.29Å; K31-I35 WeakPolarHBondContact CA-O 3.2Å; H32-I35 PolarHBondContact N-O 2.87Å; H32-I35 PolarHBondContact O-N 3.01Å; I35-A37 HydrophobicContact CD1-CB 4.3Å; I35-A37 HydrophobicContact CG1-CB 4.4Å; I35-A37 PolarHBondContact O-N 3.31Å; I35-V89 HydrophobicContact CD1-CB 4.36Å; I35-V89 HydrophobicContact CD1-CG2 3.35Å; I35-V89 WeakPolarHBondContact CG2-O 3.21Å; I35-M91 HydrophobicContact CD1-CE 3.7Å; I35-M91 HydrophobicContact CD1-CG 3.73Å; I35-M91 HydrophobicContact CG1-CE 3.96Å; I35-M91 HydrophobicContact CG1-CG 3.71Å |
| 36 | F | 98 | Very high | 97.2 | Very high | 64 Ų | 64 | 35.1 Ų | 35.1 | 28% | 0.281 | 20% | 0.196 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -69.2 | 114.3 | 167.1 | -69.4 | -72.9 | 0 | 0 | 0 | 110.6 | L16 I19 K22 G30 K31 | L16-F36 HydrophobicContact CD1-CD1 4.26Å; L16-F36 HydrophobicContact CD1-CE1 4.15Å; I19-F36 HydrophobicContact CD1-CE1 4.11Å; I19-F36 HydrophobicContact CD1-CZ 4.3Å; I19-F36 HydrophobicContact CG2-CB 3.65Å; I19-F36 HydrophobicContact CG2-CD1 3.69Å; I19-F36 HydrophobicContact CG2-CD2 4.02Å; I19-F36 HydrophobicContact CG2-CE1 4.3Å; I19-F36 HydrophobicContact CG2-CG 3.52Å; K22-F36 PolarHBondContact N-O 3.06Å; G30-F36 WeakPolarHBondContact O-CA 3.07Å; K31-F36 HydrophobicContact CG-CD1 4.07Å; K31-F36 HydrophobicContact CG-CE1 3.82Å; K31-F36 HydrophobicContact CG-CE2 4.47Å; K31-F36 HydrophobicContact CG-CZ 4.04Å |
| 37 | A | 98 | Very high | 97.3 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | trans | -138.4 | 160.9 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | C21 S28 S29 G30 H32 I35 M91 | C21-A37 VanDerWaalsContact SG-CA 3.57Å; S28-A37 VanDerWaalsContact CA-O 3.31Å; S28-A37 WeakPolarHBondContact CA-O 3.49Å; S28-A37 PolarHBondContact OG-N 3.36Å; S28-A37 VanDerWaalsContact OG-N 3.12Å; S28-A37 PolarHBondContact OG-O 2.86Å; S29-A37 PolarHBondContact N-O 2.71Å; G30-A37 PolarHBondContact O-N 2.8Å; H32-A37 HydrophobicContact CB-CB 4.3Å; H32-A37 PolarHBondContact CD2-O 3.24Å; I35-A37 HydrophobicContact CD1-CB 4.3Å; I35-A37 HydrophobicContact CG1-CB 4.4Å; I35-A37 PolarHBondContact O-N 3.31Å; A37-M91 HydrophobicContact CB-CE 3.35Å | ||
| 38 | C | 97.9 | Very high | 97.3 | Very high | 3 Ų | 3 | 37 Ų | 37 | 2% | 0.02 | 20% | 0.198 | C | C | . | . | trans | -81 | 159.1 | 169.5 | 65.9 | 0 | 0 | 0 | 0 | 110.4 | C21 C24 D26 H27 G40 C41 A42 R75 | C21-C38 HydrophobicContact CB-CB 4.02Å; C21-C38 PolarHBondContact SG-N 3.29Å; C24-C38 VanDerWaalsContact SG-SG 3.61Å; D26-C38 HydrophobicContact CB-CB 4.17Å; H27-C38 WeakPolarHBondContact O-CB 3.44Å; C38-G40 PolarHBondContact O-N 2.82Å; C38-G40 VanDerWaalsContact O-N 3.13Å; C38-C41 PolarHBondContact O-N 3.28Å; C38-C41 VanDerWaalsContact O-N 3.15Å; C38-C41 PolarHBondContact SG-N 2.99Å; C38-C41 VanDerWaalsContact SG-N 3.37Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; C38-A42 WeakPolarHBondContact O-CB 3.2Å; C38-A42 PolarHBondContact O-N 2.87Å; C38-R75 PolarHBondContact SG-NH1 3.25Å | ||
| 39 | D | 96.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 39.2 Ų | 39.2 | 51% | 0.508 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.9 | -32.8 | 176.4 | -73.5 | -26.9 | 0 | 0 | 0 | 112.6 | S29 H32 G43 | S29-D39 WeakPolarHBondContact CB-OD1 3.37Å; S29-D39 VanDerWaalsContact OG-CG 3.22Å; S29-D39 PolarHBondContact OG-N 2.94Å; S29-D39 PolarHBondContact OG-OD1 2.63Å; H32-D39 IonicContact CE1-OD1 3.78Å; H32-D39 IonicContact NE2-OD1 3.71Å; D39-G43 PolarHBondContact O-N 3.11Å |
| 40 | G | 97.6 | Very high | 97.4 | Very high | 27 Ų | 27 | 42.7 Ų | 42.7 | 28% | 0.278 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -62.5 | -48 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113 | C38 F44 R82 | C38-G40 PolarHBondContact O-N 2.82Å; C38-G40 VanDerWaalsContact O-N 3.13Å; G40-F44 VanDerWaalsContact O-CB 3.29Å; G40-F44 WeakPolarHBondContact O-CB 3.32Å; G40-F44 PolarHBondContact O-N 3.04Å; G40-F44 VanDerWaalsContact O-N 3.08Å; G40-R82 VanDerWaalsContact C-NH2 3.26Å; G40-R82 PolarHBondContact O-NH2 3.26Å |
| 41 | C | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 49.2 Ų | 49.2 | 0% | 0 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -75.9 | -37.2 | 179.3 | -69.5 | 0 | 0 | 0 | 0 | 111.9 | V23 C24 C38 F44 F45 R82 M91 | V23-C41 HydrophobicContact CB-CB 4.17Å; V23-C41 HydrophobicContact CG1-CB 4.37Å; V23-C41 HydrophobicContact CG2-CB 4.34Å; C24-C41 VanDerWaalsContact SG-SG 3.66Å; C38-C41 PolarHBondContact O-N 3.28Å; C38-C41 VanDerWaalsContact O-N 3.15Å; C38-C41 PolarHBondContact SG-N 2.99Å; C38-C41 VanDerWaalsContact SG-N 3.37Å; C38-C41 VanDerWaalsContact SG-SG 3.66Å; C41-F44 PolarHBondContact O-N 3.11Å; C41-F45 WeakPolarHBondContact O-CB 3.23Å; C41-F45 PolarHBondContact O-N 2.86Å; C41-R82 PolarHBondContact SG-NH2 3.14Å; C41-M91 HydrophobicContact CB-CE 4.3Å |
| 42 | A | 98.2 | Very high | 97.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 3% | 0.033 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.7 | -47.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | H32 Y33 C38 K46 | H32-A42 HydrophobicContact CB-CB 3.55Å; Y33-A42 HydrophobicContact CE2-CB 4.04Å; Y33-A42 WeakPolarHBondContact CE2-O 3.49Å; C38-A42 WeakPolarHBondContact O-CB 3.2Å; C38-A42 PolarHBondContact O-N 2.87Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 2.93Å; A42-K46 VanDerWaalsContact O-N 3.1Å |
| 43 | G | 97.7 | Very high | 97.2 | Very high | 13 Ų | 13 | 51.5 Ų | 51.5 | 13% | 0.134 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -65.1 | -38.5 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | D39 R47 | D39-G43 PolarHBondContact O-N 3.11Å; G43-R47 WeakPolarHBondContact O-CG 3.49Å; G43-R47 VanDerWaalsContact O-CZ 3.3Å; G43-R47 PolarHBondContact O-N 3.48Å; G43-R47 PolarHBondContact O-NH1 2.82Å |
| 44 | F | 98.7 | Very high | 97.2 | Very high | 12 Ų | 12 | 58.1 Ų | 58.1 | 5% | 0.053 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -61 | -55.7 | 174.8 | 171.2 | -100.2 | 0 | 0 | 0 | 111.4 | G40 C41 K46 R47 S48 Y55 R79 R82 L83 | G40-F44 VanDerWaalsContact O-CB 3.29Å; G40-F44 WeakPolarHBondContact O-CB 3.32Å; G40-F44 PolarHBondContact O-N 3.04Å; G40-F44 VanDerWaalsContact O-N 3.08Å; C41-F44 PolarHBondContact O-N 3.11Å; F44-K46 VanDerWaalsContact C-N 3.33Å; F44-K46 PolarHBondContact O-N 3.14Å; F44-R47 PolarHBondContact O-N 3.47Å; F44-R47 VanDerWaalsContact O-N 3.11Å; F44-S48 PolarHBondContact O-N 3.13Å; F44-S48 PolarHBondContact O-OG 3.2Å; F44-S48 VanDerWaalsContact O-OG 3.05Å; F44-Y55 HydrophobicContact CE2-CE2 4.03Å; F44-Y55 HydrophobicContact CZ-CD2 4.37Å; F44-Y55 AromaticContact CZ-CE2 3.79Å; F44-Y55 HydrophobicContact CZ-CE2 3.79Å; F44-R79 HydrophobicContact CE2-CB 4.12Å; F44-R79 HydrophobicContact CE2-CG 4.17Å; F44-R79 HydrophobicContact CZ-CB 4.18Å; F44-R79 WeakPolarHBondContact CZ-O 3.21Å; F44-R82 VanDerWaalsContact CD1-CD 3.43Å; F44-R82 HydrophobicContact CD1-CG 3.92Å; F44-R82 HydrophobicContact CE1-CB 3.88Å; F44-R82 HydrophobicContact CE1-CG 3.73Å; F44-R82 HydrophobicContact CZ-CB 4.1Å; F44-R82 HydrophobicContact CZ-CG 4.32Å; F44-L83 HydrophobicContact CE1-CB 3.82Å; F44-L83 HydrophobicContact CE1-CD1 4.33Å; F44-L83 HydrophobicContact CZ-CB 3.99Å |
| 45 | F | 98.7 | Very high | 97.2 | Very high | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -53.5 | -49.6 | 179.8 | -175.2 | -103.9 | 0 | 0 | 0 | 111.9 | Y33 C41 R47 S48 I49 L83 C86 L87 M91 N92 K93 V96 | Y33-F45 HydrophobicContact CD1-CD1 4.38Å; Y33-F45 HydrophobicContact CD1-CE1 4.48Å; Y33-F45 AromaticContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CD1 3.61Å; Y33-F45 HydrophobicContact CD2-CE1 4.28Å; Y33-F45 HydrophobicContact CD2-CG 4.45Å; Y33-F45 HydrophobicContact CE2-CD1 4.09Å; Y33-F45 AromaticContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CD1 3.79Å; Y33-F45 HydrophobicContact CG-CE1 4.01Å; C41-F45 WeakPolarHBondContact O-CB 3.23Å; C41-F45 PolarHBondContact O-N 2.86Å; F45-R47 PolarHBondContact O-N 3.47Å; F45-S48 PolarHBondContact O-N 2.63Å; F45-S48 VanDerWaalsContact O-N 3.13Å; F45-I49 HydrophobicContact CD1-CG1 4.19Å; F45-I49 HydrophobicContact CD2-CG1 4.24Å; F45-I49 HydrophobicContact CE1-CG1 3.86Å; F45-I49 HydrophobicContact CE2-CD1 4.02Å; F45-I49 HydrophobicContact CE2-CG1 3.93Å; F45-I49 HydrophobicContact CG-CG1 4.38Å; F45-I49 HydrophobicContact CZ-CD1 4.07Å; F45-I49 HydrophobicContact CZ-CG1 3.73Å; F45-I49 WeakPolarHBondContact O-CG1 3.32Å; F45-I49 PolarHBondContact O-N 2.97Å; F45-L83 HydrophobicContact CD2-CD1 3.95Å; F45-L83 HydrophobicContact CE2-CD1 4.32Å; F45-C86 HydrophobicContact CD2-CB 3.59Å; F45-C86 HydrophobicContact CE2-CB 4.14Å; F45-C86 HydrophobicContact CG-CB 4.48Å; F45-L87 HydrophobicContact CE2-CD2 3.76Å; F45-L87 HydrophobicContact CE2-CG 4.28Å; F45-L87 HydrophobicContact CZ-CD2 4.19Å; F45-M91 HydrophobicContact CB-SD 3.61Å; F45-M91 HydrophobicContact CD1-CB 4.11Å; F45-M91 HydrophobicContact CD1-SD 4.09Å; F45-M91 HydrophobicContact CD2-CB 3.9Å; F45-M91 HydrophobicContact CD2-CG 4.47Å; F45-M91 HydrophobicContact CD2-SD 3.8Å; F45-M91 HydrophobicContact CE1-CB 3.82Å; F45-M91 HydrophobicContact CE2-CB 3.6Å; F45-M91 HydrophobicContact CE2-SD 4.48Å; F45-M91 HydrophobicContact CG-CB 4.14Å; F45-M91 HydrophobicContact CG-CG 4.5Å; F45-M91 HydrophobicContact CG-SD 3.57Å; F45-M91 VanDerWaalsContact CG-SD 3.57Å; F45-M91 HydrophobicContact CZ-CB 3.55Å; F45-M91 WeakPolarHBondContact CZ-O 3.34Å; F45-N92 WeakPolarHBondContact CE1-O 3.42Å; F45-K93 HydrophobicContact CZ-CB 4.15Å; F45-V96 HydrophobicContact CD1-CG2 3.93Å; F45-V96 HydrophobicContact CE1-CG2 3.7Å |
| 46 | K | 97.9 | Very high | 97.1 | Very high | 70 Ų | 70 | 61.7 Ų | 61.7 | 30% | 0.304 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -53.4 | -47.4 | 176.6 | -168.5 | 177.4 | 68.7 | -172 | 0 | 113.4 | Y33 A42 F44 S48 R50 V96 | Y33-K46 WeakPolarHBondContact OH-CB 3.5Å; Y33-K46 VanDerWaalsContact OH-CD 3.3Å; Y33-K46 WeakPolarHBondContact OH-CD 3.4Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 2.93Å; A42-K46 VanDerWaalsContact O-N 3.1Å; F44-K46 VanDerWaalsContact C-N 3.33Å; F44-K46 PolarHBondContact O-N 3.14Å; K46-S48 VanDerWaalsContact C-N 3.34Å; K46-R50 WeakPolarHBondContact O-CB 3.48Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.32Å; K46-R50 PolarHBondContact O-N 3.11Å; K46-R50 VanDerWaalsContact O-N 3.11Å; K46-V96 HydrophobicContact CG-CG1 4.13Å |
| 47 | R | 97.1 | Very high | 97.1 | Very high | 141 Ų | 141 | 59 Ų | 59 | 53% | 0.532 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -68.6 | -35.7 | -179.4 | -73.1 | -174.8 | -61.2 | -94.5 | 0.9 | 111.9 | G43 F44 F45 R51 | G43-R47 WeakPolarHBondContact O-CG 3.49Å; G43-R47 VanDerWaalsContact O-CZ 3.3Å; G43-R47 PolarHBondContact O-N 3.48Å; G43-R47 PolarHBondContact O-NH1 2.82Å; F44-R47 PolarHBondContact O-N 3.47Å; F44-R47 VanDerWaalsContact O-N 3.11Å; F45-R47 PolarHBondContact O-N 3.47Å; R47-R51 PolarHBondContact O-N 2.75Å |
| 48 | S | 98 | Very high | 97 | Very high | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.007 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.8 | -48 | -180 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | F44 F45 K46 N52 R53 Y55 | F44-S48 PolarHBondContact O-N 3.13Å; F44-S48 PolarHBondContact O-OG 3.2Å; F44-S48 VanDerWaalsContact O-OG 3.05Å; F45-S48 PolarHBondContact O-N 2.63Å; F45-S48 VanDerWaalsContact O-N 3.13Å; K46-S48 VanDerWaalsContact C-N 3.34Å; S48-N52 PolarHBondContact O-N 2.81Å; S48-R53 PolarHBondContact O-N 3.22Å; S48-Y55 VanDerWaalsContact OG-CE2 3.28Å; S48-Y55 WeakPolarHBondContact OG-CE2 3.31Å; S48-Y55 PolarHBondContact OG-OH 3.4Å |
| 49 | I | 97.5 | Very high | 96.8 | Very high | 48 Ų | 48 | 67.1 Ų | 67.1 | 25% | 0.246 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -65.7 | -47.9 | 178.8 | -60.1 | -54.1 | 0 | 0 | 0 | 111.3 | F45 R51 N52 K93 V96 | F45-I49 HydrophobicContact CD1-CG1 4.19Å; F45-I49 HydrophobicContact CD2-CG1 4.24Å; F45-I49 HydrophobicContact CE1-CG1 3.86Å; F45-I49 HydrophobicContact CE2-CD1 4.02Å; F45-I49 HydrophobicContact CE2-CG1 3.93Å; F45-I49 HydrophobicContact CG-CG1 4.38Å; F45-I49 HydrophobicContact CZ-CD1 4.07Å; F45-I49 HydrophobicContact CZ-CG1 3.73Å; F45-I49 WeakPolarHBondContact O-CG1 3.32Å; F45-I49 PolarHBondContact O-N 2.97Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.33Å; I49-N52 PolarHBondContact O-N 3.43Å; I49-K93 HydrophobicContact CD1-CB 3.96Å; I49-K93 HydrophobicContact CG1-CB 4.23Å; I49-K93 HydrophobicContact CG2-CB 4.21Å; I49-V96 HydrophobicContact CB-CB 4.38Å; I49-V96 HydrophobicContact CB-CG1 4.33Å; I49-V96 HydrophobicContact CB-CG2 4.09Å; I49-V96 HydrophobicContact CG1-CG2 4.27Å; I49-V96 HydrophobicContact CG2-CB 4.02Å; I49-V96 HydrophobicContact CG2-CG1 4.25Å; I49-V96 HydrophobicContact CG2-CG2 4.12Å |
| 50 | R | 93.7 | Very high | 96.6 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 33% | 0.328 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -58.7 | -35.3 | -177.8 | -79.6 | -173.5 | -179.9 | 145.4 | 3.8 | 115 | K46 V96 Q97 | K46-R50 WeakPolarHBondContact O-CB 3.48Å; K46-R50 VanDerWaalsContact O-CG 3.3Å; K46-R50 WeakPolarHBondContact O-CG 3.32Å; K46-R50 PolarHBondContact O-N 3.11Å; K46-R50 VanDerWaalsContact O-N 3.11Å; R50-V96 HydrophobicContact CG-CG1 3.68Å; R50-Q97 PolarHBondContact NE-O 3.32Å; R50-Q97 PolarHBondContact NH2-O 3.03Å |
| 51 | R | 93.7 | Very high | 96.4 | Very high | 151 Ų | 151 | 73.1 Ų | 73.1 | 57% | 0.57 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.7 | 16.2 | -178.8 | -61.1 | -174.3 | -178.4 | -175.2 | 2.7 | 112.1 | R47 I49 R53 | R47-R51 PolarHBondContact O-N 2.75Å; I49-R51 VanDerWaalsContact C-N 3.26Å; I49-R51 PolarHBondContact O-N 3.33Å; R51-R53 HydrophobicContact CB-CG 3.89Å; R51-R53 PolarHBondContact O-N 3.27Å |
| 52 | N | 95.1 | Very high | 95.9 | Very high | 130 Ų | 130 | 76.7 Ų | 76.7 | 70% | 0.695 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 39.2 | 49.6 | -176.1 | -164.3 | 28.4 | 0 | 0 | 0 | 112.7 | S48 I49 Q54 | S48-N52 PolarHBondContact O-N 2.81Å; I49-N52 PolarHBondContact O-N 3.43Å; N52-Q54 PolarHBondContact O-N 2.78Å |
| 53 | R | 96.6 | Very high | 95.4 | Very high | 118 Ų | 118 | 80.5 Ų | 80.5 | 45% | 0.445 | 41% | 0.412 | S | S | . | . | trans | -73.6 | 118.9 | -170.2 | -65.3 | -59.9 | -162.1 | -174.9 | 4.4 | 110.3 | S48 R51 Y55 | S48-R53 PolarHBondContact O-N 3.22Å; R51-R53 HydrophobicContact CB-CG 3.89Å; R51-R53 PolarHBondContact O-N 3.27Å; R53-Y55 HydrophobicContact CB-CD1 4.49Å; R53-Y55 HydrophobicContact CB-CD2 4.5Å; R53-Y55 HydrophobicContact CB-CE1 3.84Å; R53-Y55 HydrophobicContact CB-CE2 3.87Å; R53-Y55 VanDerWaalsContact CB-CZ 3.48Å; R53-Y55 HydrophobicContact CG-CE1 4.35Å | ||
| 54 | Q | 96.1 | Very high | 95.1 | Very high | 180 Ų | 180 | 86.3 Ų | 86.3 | 84% | 0.841 | 44% | 0.436 | S | S | * | . | trans | -91.4 | 115.3 | 167.2 | -61.3 | -178 | 1.7 | 0 | 0 | 108.8 | N52 | N52-Q54 PolarHBondContact O-N 2.78Š| ||
| 55 | Y | 97.9 | Very high | 94.7 | Very high | 56 Ų | 56 | 91.3 Ų | 91.3 | 22% | 0.22 | 46% | 0.459 | C | S | . | . | trans | -106.3 | 137.4 | 178.7 | -59.4 | -61.1 | 0 | 0 | 0 | 110.9 | F44 S48 R53 R79 S80 L83 | F44-Y55 HydrophobicContact CE2-CE2 4.03Å; F44-Y55 HydrophobicContact CZ-CD2 4.37Å; F44-Y55 AromaticContact CZ-CE2 3.79Å; F44-Y55 HydrophobicContact CZ-CE2 3.79Å; S48-Y55 VanDerWaalsContact OG-CE2 3.28Å; S48-Y55 WeakPolarHBondContact OG-CE2 3.31Å; S48-Y55 PolarHBondContact OG-OH 3.4Å; R53-Y55 HydrophobicContact CB-CD1 4.49Å; R53-Y55 HydrophobicContact CB-CD2 4.5Å; R53-Y55 HydrophobicContact CB-CE1 3.84Å; R53-Y55 HydrophobicContact CB-CE2 3.87Å; R53-Y55 VanDerWaalsContact CB-CZ 3.48Å; R53-Y55 HydrophobicContact CG-CE1 4.35Å; Y55-R79 HydrophobicContact CD1-CB 3.84Å; Y55-R79 HydrophobicContact CD2-CB 3.89Å; Y55-R79 HydrophobicContact CE1-CB 4.14Å; Y55-R79 HydrophobicContact CE2-CB 4.17Å; Y55-R79 HydrophobicContact CG-CB 3.71Å; Y55-S80 WeakPolarHBondContact O-CB 3.36Å; Y55-S80 PolarHBondContact O-OG 3.48Å; Y55-L83 HydrophobicContact CD2-CB 4.2Å; Y55-L83 HydrophobicContact CD2-CD2 3.86Å; Y55-L83 HydrophobicContact CE2-CB 4.46Å; Y55-L83 HydrophobicContact CE2-CD2 4Å | ||
| 56 | V | 96.4 | Very high | 94.5 | Very high | 96 Ų | 96 | 93.4 Ų | 93.4 | 58% | 0.582 | 48% | 0.481 | S | S | * | . | trans | -89.6 | 140.8 | 171.8 | -176.1 | 0 | 0 | 0 | 0 | 109.8 | R60 | V56-R60 HydrophobicContact CG1-CB 4.32Å; V56-R60 VanDerWaalsContact CG1-CD 3.42Å | ||
| 57 | C | 97.7 | Very high | 94.3 | Very high | 7 Ų | 7 | 93.6 Ų | 93.6 | 5% | 0.047 | 50% | 0.496 | C | S | . | . | trans | -65.9 | 142.5 | 177.1 | -173.9 | 0 | 0 | 0 | 0 | 111.4 | A59 R60 E65 C68 | C57-A59 VanDerWaalsContact C-N 3.34Å; C57-A59 PolarHBondContact SG-N 2.7Å; C57-A59 VanDerWaalsContact SG-N 3.44Å; C57-R60 WeakPolarHBondContact O-CB 2.92Å; C57-R60 PolarHBondContact O-N 3.15Å; C57-E65 HydrophobicContact CB-CG 3.88Å; C57-C68 VanDerWaalsContact SG-SG 3.68Å | ||
| 58 | K | 95.2 | Very high | 94.3 | Very high | 159 Ų | 159 | 88.5 Ų | 88.5 | 69% | 0.691 | 48% | 0.481 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.1 | -36.2 | 174.7 | -177.4 | -175.2 | 173.8 | -171.6 | 0 | 112.2 | R60 C78 | K58-R60 PolarHBondContact O-N 2.82Å; K58-C78 HydrophobicContact CB-CB 4.46Å |
| 59 | A | 94.9 | Very high | 94.3 | Very high | 15 Ų | 15 | 93 Ų | 93 | 12% | 0.124 | 51% | 0.509 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 18.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | C57 G61 S62 Q64 | C57-A59 VanDerWaalsContact C-N 3.34Å; C57-A59 PolarHBondContact SG-N 2.7Å; C57-A59 VanDerWaalsContact SG-N 3.44Å; A59-G61 PolarHBondContact O-N 3.31Å; A59-S62 PolarHBondContact O-N 3.32Å; A59-S62 VanDerWaalsContact O-N 3.14Å; A59-S62 PolarHBondContact O-OG 2.91Å; A59-S62 VanDerWaalsContact O-OG 3.05Å; A59-Q64 HydrophobicContact CB-CB 4.32Å; A59-Q64 WeakPolarHBondContact CB-O 3.43Å |
| 60 | R | 92.3 | Very high | 94.3 | Very high | 168 Ų | 168 | 91.3 Ų | 91.3 | 63% | 0.634 | 50% | 0.5 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.8 | 126.7 | 177.6 | -177 | 174 | -177.7 | -168.4 | 2.7 | 109.2 | V56 C57 K58 | V56-R60 HydrophobicContact CG1-CB 4.32Å; V56-R60 VanDerWaalsContact CG1-CD 3.42Å; C57-R60 WeakPolarHBondContact O-CB 2.92Å; C57-R60 PolarHBondContact O-N 3.15Å; K58-R60 PolarHBondContact O-N 2.82Å |
| 61 | G | 92.1 | Very high | 94.5 | Very high | 79 Ų | 79 | 89.2 Ų | 89.2 | 81% | 0.814 | 50% | 0.495 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 84.3 | -4.7 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A59 | A59-G61 PolarHBondContact O-N 3.31Š|
| 62 | S | 88.7 | Confident | 94.6 | Very high | 76 Ų | 76 | 87.3 Ų | 87.3 | 53% | 0.531 | 49% | 0.491 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | 11.6 | -179.8 | 76.7 | 0 | 0 | 0 | 0 | 114.2 | A59 Q64 | A59-S62 PolarHBondContact O-N 3.32Å; A59-S62 VanDerWaalsContact O-N 3.14Å; A59-S62 PolarHBondContact O-OG 2.91Å; A59-S62 VanDerWaalsContact O-OG 3.05Å; S62-Q64 PolarHBondContact O-N 3.31Å |
| 63 | G | 87.8 | Confident | 94.7 | Very high | 83 Ų | 83 | 86 Ų | 86 | 86% | 0.856 | 49% | 0.488 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 74.6 | -4.8 | -177.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 64 | Q | 90.4 | Very high | 94.7 | Very high | 136 Ų | 136 | 83.9 Ų | 83.9 | 64% | 0.636 | 48% | 0.483 | S | S | * | . | trans | -114.5 | 27.8 | -179.5 | -64.2 | -175 | -29.2 | 0 | 0 | 112.5 | A59 S62 G66 A67 | A59-Q64 HydrophobicContact CB-CB 4.32Å; A59-Q64 WeakPolarHBondContact CB-O 3.43Å; S62-Q64 PolarHBondContact O-N 3.31Å; Q64-G66 PolarHBondContact O-N 3.1Å; Q64-A67 PolarHBondContact O-N 3.35Å | ||
| 65 | E | 92.1 | Very high | 94.7 | Very high | 116 Ų | 116 | 77.3 Ų | 77.3 | 54% | 0.542 | 45% | 0.451 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | 136.5 | 179 | -177.2 | 159.2 | -160.1 | 0 | 0 | 111.1 | C57 A67 | C57-E65 HydrophobicContact CB-CG 3.88Å; E65-A67 PolarHBondContact O-N 3Å |
| 66 | G | 93.3 | Very high | 94.7 | Very high | 44 Ų | 44 | 80.1 Ų | 80.1 | 45% | 0.454 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81.5 | -15.4 | -176 | 0 | 0 | 0 | 0 | 0 | 115 | Q64 C81 | Q64-G66 PolarHBondContact O-N 3.1Å; G66-C81 VanDerWaalsContact CA-SG 3.56Å; G66-C81 PolarHBondContact O-SG 3.33Å; G66-C81 VanDerWaalsContact O-SG 3.36Å |
| 67 | A | 94.8 | Very high | 94.7 | Very high | 74 Ų | 74 | 80.9 Ų | 80.9 | 61% | 0.612 | 47% | 0.467 | S | S | * | . | trans | -97.3 | 12.7 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q64 E65 T69 | Q64-A67 PolarHBondContact O-N 3.35Å; E65-A67 PolarHBondContact O-N 3Å; A67-T69 PolarHBondContact O-N 3.39Å | ||
| 68 | C | 97 | Very high | 94.7 | Very high | 34 Ų | 34 | 80.8 Ų | 80.8 | 23% | 0.23 | 47% | 0.466 | C | S | . | . | trans | -63.7 | 132.7 | 180 | -55.6 | 0 | 0 | 0 | 0 | 112.2 | C57 I70 C78 C81 | C57-C68 VanDerWaalsContact SG-SG 3.68Å; C68-I70 PolarHBondContact O-N 2.81Å; C68-C78 HydrophobicContact CB-CB 3.55Å; C68-C78 VanDerWaalsContact SG-SG 3.65Å; C68-C81 HydrophobicContact CB-CB 3.85Å | ||
| 69 | T | 96.5 | Very high | 94.8 | Very high | 96 Ų | 96 | 80.7 Ų | 80.7 | 59% | 0.589 | 46% | 0.461 | S | S | * | . | trans | -60.9 | 129.2 | 179.1 | -51.9 | 0 | 0 | 0 | 0 | 112.4 | A67 | A67-T69 PolarHBondContact O-N 3.39Š| ||
| 70 | I | 98.1 | Very high | 95 | Very high | 12 Ų | 12 | 81.4 Ų | 81.4 | 6% | 0.062 | 47% | 0.466 | C | S | . | . | trans | -119.1 | 95.7 | 176 | -51.6 | -60.4 | 0 | 0 | 0 | 109.6 | V23 C24 C68 R75 C81 R82 K85 | V23-I70 HydrophobicContact CG1-CG2 3.96Å; V23-I70 WeakPolarHBondContact O-CG2 3.48Å; C24-I70 HydrophobicContact CB-CG2 4.16Å; C68-I70 PolarHBondContact O-N 2.81Å; I70-R75 HydrophobicContact CG2-CB 4.05Å; I70-C81 HydrophobicContact CD1-CB 4.03Å; I70-C81 HydrophobicContact CG1-CB 4.41Å; I70-R82 HydrophobicContact CD1-CB 3.89Å; I70-R82 HydrophobicContact CG2-CG 4.24Å; I70-K85 HydrophobicContact CB-CD 3.65Å; I70-K85 HydrophobicContact CG1-CB 4.5Å; I70-K85 HydrophobicContact CG1-CD 3.97Å; I70-K85 HydrophobicContact CG2-CD 3.94Å; I70-K85 PolarHBondContact O-NZ 2.71Å; I70-K85 VanDerWaalsContact O-NZ 3.09Å | ||
| 71 | D | 97.3 | Very high | 95.3 | Very high | 43 Ų | 43 | 73.7 Ų | 73.7 | 23% | 0.23 | 44% | 0.437 | C | S | . | . | S | Bend | trans | -127.8 | -175.4 | 174.7 | 61.5 | 31.1 | 0 | 0 | 0 | 110.4 | C24 T73 H74 R75 | C24-D71 CarbonylContact O-C 3.5Å; C24-D71 VanDerWaalsContact O-C 3.28Å; C24-D71 WeakPolarHBondContact O-CA 3.34Å; D71-T73 PolarHBondContact O-N 3.46Å; D71-T73 PolarHBondContact OD1-N 2.94Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; D71-T73 PolarHBondContact OD1-OG1 3.44Å; D71-T73 VanDerWaalsContact OD1-OG1 3.08Å; D71-H74 VanDerWaalsContact CG-ND1 3.32Å; D71-H74 WeakPolarHBondContact OD1-CA 3.28Å; D71-H74 WeakPolarHBondContact OD1-CB 3.25Å; D71-H74 IonicContact OD1-CG 2.74Å; D71-H74 PolarHBondContact OD1-N 3.05Å; D71-H74 IonicContact OD1-ND1 2.98Å; D71-H74 PolarHBondContact OD1-ND1 3.38Å; D71-H74 VanDerWaalsContact OD1-ND1 3.13Å; D71-H74 IonicContact OD2-CE1 3.89Å; D71-H74 IonicContact OD2-CG 3.34Å; D71-H74 IonicContact OD2-ND1 2.64Å; D71-H74 PolarHBondContact OD2-ND1 3.19Å; D71-R75 WeakPolarHBondContact O-CA 3.36Å; D71-R75 WeakPolarHBondContact O-CB 3.4Å; D71-R75 WeakPolarHBondContact O-CG 3.37Å; D71-R75 PolarHBondContact O-N 3.13Å |
| 72 | K | 96.6 | Very high | 95.6 | Very high | 111 Ų | 111 | 70.2 Ų | 70.2 | 48% | 0.483 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -42 | -177.2 | -179.3 | 177 | 179.7 | 172.1 | 0 | 113.3 | C24 D26 | C24-K72 PolarHBondContact O-N 3.24Å; D26-K72 HydrophobicContact CB-CB 4.21Å; D26-K72 HydrophobicContact CB-CD 4.22Å; D26-K72 HydrophobicContact CB-CG 4.02Å; D26-K72 VanDerWaalsContact OD1-CD 3.31Å; D26-K72 WeakPolarHBondContact OD1-CD 3.33Å; D26-K72 WeakPolarHBondContact OD1-CE 3.3Å; D26-K72 IonicContact OD1-NZ 3.49Å; D26-K72 PolarHBondContact OD1-NZ 2.79Å |
| 73 | T | 96.6 | Very high | 96.1 | Very high | 103 Ų | 103 | 67.7 Ų | 67.7 | 63% | 0.632 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -35.3 | -174 | 44.8 | 0 | 0 | 0 | 0 | 112.2 | D71 | D71-T73 PolarHBondContact O-N 3.46Å; D71-T73 PolarHBondContact OD1-N 2.94Å; D71-T73 VanDerWaalsContact OD1-N 3.12Å; D71-T73 PolarHBondContact OD1-OG1 3.44Å; D71-T73 VanDerWaalsContact OD1-OG1 3.08Å |
| 74 | H | 96.6 | Very high | 96.6 | Very high | 74 Ų | 74 | 68.1 Ų | 68.1 | 34% | 0.343 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | -3.2 | -168 | -48.6 | 125.7 | 0 | 0 | 0 | 113.7 | D71 N76 Q77 | D71-H74 VanDerWaalsContact CG-ND1 3.32Å; D71-H74 WeakPolarHBondContact OD1-CA 3.28Å; D71-H74 WeakPolarHBondContact OD1-CB 3.25Å; D71-H74 IonicContact OD1-CG 2.74Å; D71-H74 PolarHBondContact OD1-N 3.05Å; D71-H74 IonicContact OD1-ND1 2.98Å; D71-H74 PolarHBondContact OD1-ND1 3.38Å; D71-H74 VanDerWaalsContact OD1-ND1 3.13Å; D71-H74 IonicContact OD2-CE1 3.89Å; D71-H74 IonicContact OD2-CG 3.34Å; D71-H74 IonicContact OD2-ND1 2.64Å; D71-H74 PolarHBondContact OD2-ND1 3.19Å; H74-N76 PolarHBondContact O-N 2.98Å; H74-Q77 HydrophobicContact CB-CG 4.23Å; H74-Q77 PolarHBondContact CD2-NE2 3.34Å; H74-Q77 WeakPolarHBondContact O-CB 3.39Å; H74-Q77 WeakPolarHBondContact O-CG 3.32Å; H74-Q77 PolarHBondContact O-N 3.32Å |
| 75 | R | 97.1 | Very high | 97 | Very high | 42 Ų | 42 | 64.2 Ų | 64.2 | 16% | 0.158 | 34% | 0.343 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -51.2 | -20.9 | 176.1 | 58.8 | -168.7 | -171.3 | -166.5 | -6 | 115.4 | C24 D26 C38 I70 D71 R82 | C24-R75 HydrophobicContact CB-CB 4.13Å; C24-R75 PolarHBondContact SG-NH1 2.83Å; D26-R75 IonicContact OD2-CZ 3.73Å; D26-R75 IonicContact OD2-NH1 2.87Å; D26-R75 PolarHBondContact OD2-NH1 2.87Å; D26-R75 IonicContact OD2-NH2 3.33Å; D26-R75 PolarHBondContact OD2-NH2 2.59Å; C38-R75 PolarHBondContact SG-NH1 3.25Å; I70-R75 HydrophobicContact CG2-CB 4.05Å; D71-R75 WeakPolarHBondContact O-CA 3.36Å; D71-R75 WeakPolarHBondContact O-CB 3.4Å; D71-R75 WeakPolarHBondContact O-CG 3.37Å; D71-R75 PolarHBondContact O-N 3.13Å; R75-R82 VanDerWaalsContact O-CD 3.25Å; R75-R82 WeakPolarHBondContact O-CD 3.34Å |
| 76 | N | 96.9 | Very high | 97.3 | Very high | 114 Ų | 114 | 58.7 Ų | 58.7 | 61% | 0.61 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.9 | -8 | 179.4 | -67.4 | -32.2 | 0 | 0 | 0 | 114.2 | H74 R82 | H74-N76 PolarHBondContact O-N 2.98Å; N76-R82 PolarHBondContact OD1-NH1 3.34Å |
| 77 | Q | 96.3 | Very high | 97.5 | Very high | 113 Ų | 113 | 60.3 Ų | 60.3 | 53% | 0.528 | 32% | 0.315 | S | S | . | . | S | Bend | trans | -72.3 | -34.7 | -175.1 | -65.3 | -176.7 | 14.3 | 0 | 0 | 113.3 | H74 | H74-Q77 HydrophobicContact CB-CG 4.23Å; H74-Q77 PolarHBondContact CD2-NE2 3.34Å; H74-Q77 WeakPolarHBondContact O-CB 3.39Å; H74-Q77 WeakPolarHBondContact O-CG 3.32Å; H74-Q77 PolarHBondContact O-N 3.32Å |
| 78 | C | 98 | Very high | 97.7 | Very high | 4 Ų | 4 | 64 Ų | 64 | 3% | 0.027 | 32% | 0.32 | C | S | . | . | trans | -133 | 103.4 | 177.1 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | K58 C68 S80 C81 R82 | K58-C78 HydrophobicContact CB-CB 4.46Å; C68-C78 HydrophobicContact CB-CB 3.55Å; C68-C78 VanDerWaalsContact SG-SG 3.65Å; C78-S80 VanDerWaalsContact C-N 3.31Å; C78-S80 PolarHBondContact O-N 3.37Å; C78-C81 HydrophobicContact CB-CB 4.09Å; C78-C81 PolarHBondContact SG-N 2.93Å; C78-C81 VanDerWaalsContact SG-SG 3.64Å; C78-R82 WeakPolarHBondContact O-CB 3.32Å; C78-R82 PolarHBondContact O-N 3.16Å | ||
| 79 | R | 98.1 | Very high | 97.7 | Very high | 157 Ų | 157 | 64.3 Ų | 64.3 | 59% | 0.592 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -66 | -34.2 | 178.7 | -63.4 | 179.7 | -173.6 | 169.5 | 1.8 | 112.1 | F44 Y55 R82 L83 | F44-R79 HydrophobicContact CE2-CB 4.12Å; F44-R79 HydrophobicContact CE2-CG 4.17Å; F44-R79 HydrophobicContact CZ-CB 4.18Å; F44-R79 WeakPolarHBondContact CZ-O 3.21Å; Y55-R79 HydrophobicContact CD1-CB 3.84Å; Y55-R79 HydrophobicContact CD2-CB 3.89Å; Y55-R79 HydrophobicContact CE1-CB 4.14Å; Y55-R79 HydrophobicContact CE2-CB 4.17Å; Y55-R79 HydrophobicContact CG-CB 3.71Å; R79-R82 PolarHBondContact O-N 3.15Å; R79-L83 WeakPolarHBondContact O-CB 3.4Å; R79-L83 PolarHBondContact O-N 2.83Å |
| 80 | S | 98.3 | Very high | 97.8 | Very high | 31 Ų | 31 | 61.8 Ų | 61.8 | 22% | 0.217 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -62.6 | -58.1 | 178.1 | -173 | 0 | 0 | 0 | 0 | 111.3 | Y55 C78 R82 L83 N84 | Y55-S80 WeakPolarHBondContact O-CB 3.36Å; Y55-S80 PolarHBondContact O-OG 3.48Å; C78-S80 VanDerWaalsContact C-N 3.31Å; C78-S80 PolarHBondContact O-N 3.37Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 3.13Å; S80-L83 PolarHBondContact O-N 3.09Å; S80-L83 VanDerWaalsContact O-N 3.15Å; S80-N84 WeakPolarHBondContact O-CB 3.31Å; S80-N84 PolarHBondContact O-N 3.03Å |
| 81 | C | 98.4 | Very high | 97.8 | Very high | 6 Ų | 6 | 61.5 Ų | 61.5 | 4% | 0.041 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -59.2 | -36.7 | 175.9 | -70.7 | 0 | 0 | 0 | 0 | 112.6 | G66 C68 I70 C78 K85 | G66-C81 VanDerWaalsContact CA-SG 3.56Å; G66-C81 PolarHBondContact O-SG 3.33Å; G66-C81 VanDerWaalsContact O-SG 3.36Å; C68-C81 HydrophobicContact CB-CB 3.85Å; I70-C81 HydrophobicContact CD1-CB 4.03Å; I70-C81 HydrophobicContact CG1-CB 4.41Å; C78-C81 HydrophobicContact CB-CB 4.09Å; C78-C81 PolarHBondContact SG-N 2.93Å; C78-C81 VanDerWaalsContact SG-SG 3.64Å; C81-K85 VanDerWaalsContact O-CB 3.31Å; C81-K85 WeakPolarHBondContact O-CB 3.47Å; C81-K85 PolarHBondContact O-N 3.02Å |
| 82 | R | 98.7 | Very high | 97.8 | Very high | 6 Ų | 6 | 63.2 Ų | 63.2 | 2% | 0.023 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -64 | -45.5 | 175.9 | -167 | -167.9 | -172.1 | 162.1 | -0.9 | 112.3 | V23 G40 C41 F44 I70 R75 N76 C78 R79 S80 K85 C86 | V23-R82 HydrophobicContact CG1-CG 4.41Å; G40-R82 VanDerWaalsContact C-NH2 3.26Å; G40-R82 PolarHBondContact O-NH2 3.26Å; C41-R82 PolarHBondContact SG-NH2 3.14Å; F44-R82 VanDerWaalsContact CD1-CD 3.43Å; F44-R82 HydrophobicContact CD1-CG 3.92Å; F44-R82 HydrophobicContact CE1-CB 3.88Å; F44-R82 HydrophobicContact CE1-CG 3.73Å; F44-R82 HydrophobicContact CZ-CB 4.1Å; F44-R82 HydrophobicContact CZ-CG 4.32Å; I70-R82 HydrophobicContact CD1-CB 3.89Å; I70-R82 HydrophobicContact CG2-CG 4.24Å; R75-R82 VanDerWaalsContact O-CD 3.25Å; R75-R82 WeakPolarHBondContact O-CD 3.34Å; N76-R82 PolarHBondContact OD1-NH1 3.34Å; C78-R82 WeakPolarHBondContact O-CB 3.32Å; C78-R82 PolarHBondContact O-N 3.16Å; R79-R82 PolarHBondContact O-N 3.15Å; S80-R82 VanDerWaalsContact C-N 3.28Å; S80-R82 PolarHBondContact O-N 3.13Å; R82-K85 PolarHBondContact O-N 2.87Å; R82-C86 PolarHBondContact O-N 3.09Å; R82-C86 PolarHBondContact O-SG 3.41Å; R82-C86 VanDerWaalsContact O-SG 3.33Å |
| 83 | L | 98.6 | Very high | 97.8 | Very high | 22 Ų | 22 | 63.4 Ų | 63.4 | 12% | 0.115 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67 | -41.9 | 178.8 | -178.7 | 60.9 | 0 | 0 | 0 | 110.8 | F44 F45 Y55 R79 S80 K85 C86 L87 | F44-L83 HydrophobicContact CE1-CB 3.82Å; F44-L83 HydrophobicContact CE1-CD1 4.33Å; F44-L83 HydrophobicContact CZ-CB 3.99Å; F45-L83 HydrophobicContact CD2-CD1 3.95Å; F45-L83 HydrophobicContact CE2-CD1 4.32Å; Y55-L83 HydrophobicContact CD2-CB 4.2Å; Y55-L83 HydrophobicContact CD2-CD2 3.86Å; Y55-L83 HydrophobicContact CE2-CB 4.46Å; Y55-L83 HydrophobicContact CE2-CD2 4Å; R79-L83 WeakPolarHBondContact O-CB 3.4Å; R79-L83 PolarHBondContact O-N 2.83Å; S80-L83 PolarHBondContact O-N 3.09Å; S80-L83 VanDerWaalsContact O-N 3.15Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.33Å; L83-C86 WeakPolarHBondContact O-CB 3.15Å; L83-C86 PolarHBondContact O-N 2.94Å; L83-L87 HydrophobicContact CG-CD1 4.47Å; L83-L87 PolarHBondContact O-N 3.09Å |
| 84 | N | 98.2 | Very high | 97.7 | Very high | 92 Ų | 92 | 65.2 Ų | 65.2 | 49% | 0.492 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -59.6 | -46.2 | 175 | -165.4 | 20.7 | 0 | 0 | 0 | 110.9 | S80 C86 L87 Q88 | S80-N84 WeakPolarHBondContact O-CB 3.31Å; S80-N84 PolarHBondContact O-N 3.03Å; N84-C86 VanDerWaalsContact C-N 3.33Å; N84-C86 PolarHBondContact O-N 2.7Å; N84-L87 PolarHBondContact O-N 3.31Å; N84-L87 VanDerWaalsContact O-N 3.13Å; N84-Q88 WeakPolarHBondContact O-CB 3.41Å; N84-Q88 PolarHBondContact O-N 2.78Å |
| 85 | K | 98.5 | Very high | 97.7 | Very high | 54 Ų | 54 | 63.9 Ų | 63.9 | 24% | 0.235 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -61.7 | -39.2 | 175.5 | -167.2 | 171.3 | -174.3 | -175.9 | 0 | 112.4 | V23 I70 C81 R82 L83 L87 Q88 V89 | V23-K85 HydrophobicContact CG1-CB 4.4Å; V23-K85 HydrophobicContact CG1-CD 4.37Å; V23-K85 HydrophobicContact CG1-CG 4.29Å; V23-K85 WeakPolarHBondContact O-CD 2.97Å; V23-K85 WeakPolarHBondContact O-CE 3.4Å; V23-K85 PolarHBondContact O-NZ 2.95Å; I70-K85 HydrophobicContact CB-CD 3.65Å; I70-K85 HydrophobicContact CG1-CB 4.5Å; I70-K85 HydrophobicContact CG1-CD 3.97Å; I70-K85 HydrophobicContact CG2-CD 3.94Å; I70-K85 PolarHBondContact O-NZ 2.71Å; I70-K85 VanDerWaalsContact O-NZ 3.09Å; C81-K85 VanDerWaalsContact O-CB 3.31Å; C81-K85 WeakPolarHBondContact O-CB 3.47Å; C81-K85 PolarHBondContact O-N 3.02Å; R82-K85 PolarHBondContact O-N 2.87Å; L83-K85 VanDerWaalsContact C-N 3.33Å; L83-K85 PolarHBondContact O-N 3.33Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.85Å; K85-Q88 PolarHBondContact O-N 2.91Å; K85-V89 HydrophobicContact CG-CG1 4.33Å; K85-V89 WeakPolarHBondContact O-CG1 3.4Å; K85-V89 VanDerWaalsContact O-CG2 3.31Å; K85-V89 WeakPolarHBondContact O-CG2 3.2Å; K85-V89 PolarHBondContact O-N 3.15Å |
| 86 | C | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 62.9 Ų | 62.9 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -56.4 | -46.6 | 172.9 | -75.7 | 0 | 0 | 0 | 0 | 112 | F45 R82 L83 N84 V89 M91 | F45-C86 HydrophobicContact CD2-CB 3.59Å; F45-C86 HydrophobicContact CE2-CB 4.14Å; F45-C86 HydrophobicContact CG-CB 4.48Å; R82-C86 PolarHBondContact O-N 3.09Å; R82-C86 PolarHBondContact O-SG 3.41Å; R82-C86 VanDerWaalsContact O-SG 3.33Å; L83-C86 WeakPolarHBondContact O-CB 3.15Å; L83-C86 PolarHBondContact O-N 2.94Å; N84-C86 VanDerWaalsContact C-N 3.33Å; N84-C86 PolarHBondContact O-N 2.7Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; C86-M91 HydrophobicContact CB-CB 4.4Å; C86-M91 HydrophobicContact CB-CG 4.21Å; C86-M91 HydrophobicContact CB-SD 3.63Å; C86-M91 WeakPolarHBondContact O-CB 3.45Å; C86-M91 WeakPolarHBondContact O-CG 3.5Å; C86-M91 PolarHBondContact O-N 3.28Å |
| 87 | L | 98.2 | Very high | 97.2 | Very high | 78 Ų | 78 | 63.3 Ų | 63.3 | 41% | 0.408 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.1 | -44.7 | 178.2 | -67 | 168 | 0 | 0 | 0 | 111.4 | F45 L83 N84 K85 V89 G90 | F45-L87 HydrophobicContact CE2-CD2 3.76Å; F45-L87 HydrophobicContact CE2-CG 4.28Å; F45-L87 HydrophobicContact CZ-CD2 4.19Å; L83-L87 HydrophobicContact CG-CD1 4.47Å; L83-L87 PolarHBondContact O-N 3.09Å; N84-L87 PolarHBondContact O-N 3.31Å; N84-L87 VanDerWaalsContact O-N 3.13Å; K85-L87 VanDerWaalsContact C-N 3.34Å; K85-L87 PolarHBondContact O-N 2.85Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 3.26Å; L87-G90 WeakPolarHBondContact O-CA 3.36Å; L87-G90 PolarHBondContact O-N 2.73Å |
| 88 | Q | 98 | Very high | 96.6 | Very high | 153 Ų | 153 | 65.4 Ų | 65.4 | 72% | 0.715 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58.6 | -40.7 | 179.9 | -173 | -174.5 | 16.9 | 0 | 0 | 112.5 | N84 K85 G90 | N84-Q88 WeakPolarHBondContact O-CB 3.41Å; N84-Q88 PolarHBondContact O-N 2.78Å; K85-Q88 PolarHBondContact O-N 2.91Å; Q88-G90 PolarHBondContact O-N 3Å |
| 89 | V | 98.3 | Very high | 95.5 | Very high | 39 Ų | 39 | 71.2 Ų | 71.2 | 24% | 0.236 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | -0.6 | 177.3 | -57.3 | 0 | 0 | 0 | 0 | 113.4 | K22 V23 I35 K85 C86 L87 | K22-V89 HydrophobicContact CB-CB 4.19Å; K22-V89 HydrophobicContact CB-CG1 4.36Å; K22-V89 HydrophobicContact CB-CG2 4.31Å; V23-V89 HydrophobicContact CG2-CG2 3.7Å; I35-V89 HydrophobicContact CD1-CB 4.36Å; I35-V89 HydrophobicContact CD1-CG2 3.35Å; I35-V89 WeakPolarHBondContact CG2-O 3.21Å; K85-V89 HydrophobicContact CG-CG1 4.33Å; K85-V89 WeakPolarHBondContact O-CG1 3.4Å; K85-V89 VanDerWaalsContact O-CG2 3.31Å; K85-V89 WeakPolarHBondContact O-CG2 3.2Å; K85-V89 PolarHBondContact O-N 3.15Å; C86-V89 WeakPolarHBondContact O-CG2 3.31Å; L87-V89 VanDerWaalsContact C-N 3.32Å; L87-V89 PolarHBondContact O-N 3.26Å |
| 90 | G | 98.2 | Very high | 94.2 | Very high | 44 Ų | 44 | 72 Ų | 72 | 45% | 0.454 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 93 | 27.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | L87 Q88 N92 | L87-G90 WeakPolarHBondContact O-CA 3.36Å; L87-G90 PolarHBondContact O-N 2.73Å; Q88-G90 PolarHBondContact O-N 3Å; G90-N92 PolarHBondContact O-N 3.2Å |
| 91 | M | 98.5 | Very high | 92.6 | Very high | 6 Ų | 6 | 73 Ų | 73 | 3% | 0.03 | 38% | 0.377 | C | S | . | . | trans | -64.9 | 120 | 167.5 | -71.8 | -168.3 | 164.3 | 0 | 0 | 110.1 | V23 Y33 I35 A37 C41 F45 C86 K93 | V23-M91 HydrophobicContact CG2-CE 3.89Å; V23-M91 HydrophobicContact CG2-SD 4.5Å; Y33-M91 WeakPolarHBondContact O-CA 3.01Å; I35-M91 HydrophobicContact CD1-CE 3.7Å; I35-M91 HydrophobicContact CD1-CG 3.73Å; I35-M91 HydrophobicContact CG1-CE 3.96Å; I35-M91 HydrophobicContact CG1-CG 3.71Å; A37-M91 HydrophobicContact CB-CE 3.35Å; C41-M91 HydrophobicContact CB-CE 4.3Å; F45-M91 HydrophobicContact CB-SD 3.61Å; F45-M91 HydrophobicContact CD1-CB 4.11Å; F45-M91 HydrophobicContact CD1-SD 4.09Å; F45-M91 HydrophobicContact CD2-CB 3.9Å; F45-M91 HydrophobicContact CD2-CG 4.47Å; F45-M91 HydrophobicContact CD2-SD 3.8Å; F45-M91 HydrophobicContact CE1-CB 3.82Å; F45-M91 HydrophobicContact CE2-CB 3.6Å; F45-M91 HydrophobicContact CE2-SD 4.48Å; F45-M91 HydrophobicContact CG-CB 4.14Å; F45-M91 HydrophobicContact CG-CG 4.5Å; F45-M91 HydrophobicContact CG-SD 3.57Å; F45-M91 VanDerWaalsContact CG-SD 3.57Å; F45-M91 HydrophobicContact CZ-CB 3.55Å; F45-M91 WeakPolarHBondContact CZ-O 3.34Å; C86-M91 HydrophobicContact CB-CB 4.4Å; C86-M91 HydrophobicContact CB-CG 4.21Å; C86-M91 HydrophobicContact CB-SD 3.63Å; C86-M91 WeakPolarHBondContact O-CB 3.45Å; C86-M91 WeakPolarHBondContact O-CG 3.5Å; C86-M91 PolarHBondContact O-N 3.28Å; M91-K93 PolarHBondContact O-N 2.93Å | ||
| 92 | N | 97.5 | Very high | 90.8 | Very high | 78 Ų | 78 | 78.6 Ų | 78.6 | 42% | 0.417 | 41% | 0.413 | S | S | . | . | trans | -77.5 | 111.8 | -178.4 | -174.1 | -3.8 | 0 | 0 | 0 | 111.1 | Y33 F45 G90 E94 A95 | Y33-N92 PolarHBondContact O-N 3.18Å; F45-N92 WeakPolarHBondContact CE1-O 3.42Å; G90-N92 PolarHBondContact O-N 3.2Å; N92-E94 VanDerWaalsContact C-N 3.27Å; N92-E94 PolarHBondContact O-N 3.14Å; N92-E94 WeakPolarHBondContact OD1-CB 3.45Å; N92-E94 PolarHBondContact OD1-N 3.26Å; N92-A95 HydrophobicContact CB-CB 4.06Å; N92-A95 WeakPolarHBondContact O-CB 3.37Å; N92-A95 PolarHBondContact O-N 3.45Å | ||
| 93 | K | 96.4 | Very high | 88.8 | Confident | 116 Ų | 116 | 86.5 Ų | 86.5 | 50% | 0.504 | 44% | 0.443 | S | S | . | . | G | 310 helix | trans | -61.8 | -33.5 | 175.3 | 54.3 | 163.7 | -179 | 160 | 0 | 112.8 | F45 I49 M91 A95 V96 | F45-K93 HydrophobicContact CZ-CB 4.15Å; I49-K93 HydrophobicContact CD1-CB 3.96Å; I49-K93 HydrophobicContact CG1-CB 4.23Å; I49-K93 HydrophobicContact CG2-CB 4.21Å; M91-K93 PolarHBondContact O-N 2.93Å; K93-A95 VanDerWaalsContact C-N 3.26Å; K93-A95 PolarHBondContact O-N 2.81Å; K93-V96 WeakPolarHBondContact O-CB 3.38Å; K93-V96 WeakPolarHBondContact O-CG2 3.37Å; K93-V96 PolarHBondContact O-N 2.73Å; K93-V96 VanDerWaalsContact O-N 3.15Å |
| 94 | E | 95.2 | Very high | 86.6 | Confident | 140 Ų | 140 | 89.6 Ų | 89.6 | 65% | 0.654 | 46% | 0.459 | S | S | * | . | G | 310 helix | trans | -73.4 | -19.8 | -178.6 | -51.7 | -52.7 | 139.8 | 0 | 0 | 112 | N92 V96 | N92-E94 VanDerWaalsContact C-N 3.27Å; N92-E94 PolarHBondContact O-N 3.14Å; N92-E94 WeakPolarHBondContact OD1-CB 3.45Å; N92-E94 PolarHBondContact OD1-N 3.26Å; E94-V96 PolarHBondContact O-N 3.29Å |
| 95 | A | 94.9 | Very high | 85 | Confident | 47 Ų | 47 | 88.6 Ų | 88.6 | 39% | 0.388 | 46% | 0.46 | S | S | . | . | G | 310 helix | trans | -74.7 | -7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y33 N92 K93 Q97 | Y33-A95 HydrophobicContact CD1-CB 4.08Å; N92-A95 HydrophobicContact CB-CB 4.06Å; N92-A95 WeakPolarHBondContact O-CB 3.37Å; N92-A95 PolarHBondContact O-N 3.45Å; K93-A95 VanDerWaalsContact C-N 3.26Å; K93-A95 PolarHBondContact O-N 2.81Å; A95-Q97 PolarHBondContact O-N 3.18Å |
| 96 | V | 95.1 | Very high | 83.4 | Confident | 20 Ų | 20 | 89.4 Ų | 89.4 | 12% | 0.121 | 47% | 0.469 | C | S | . | . | trans | -81.1 | 99.7 | 177.8 | -179.3 | 0 | 0 | 0 | 0 | 109.5 | Y33 F45 K46 I49 R50 K93 E94 | Y33-V96 HydrophobicContact CD1-CG2 3.78Å; Y33-V96 HydrophobicContact CE1-CG2 3.75Å; F45-V96 HydrophobicContact CD1-CG2 3.93Å; F45-V96 HydrophobicContact CE1-CG2 3.7Å; K46-V96 HydrophobicContact CG-CG1 4.13Å; I49-V96 HydrophobicContact CB-CB 4.38Å; I49-V96 HydrophobicContact CB-CG1 4.33Å; I49-V96 HydrophobicContact CB-CG2 4.09Å; I49-V96 HydrophobicContact CG1-CG2 4.27Å; I49-V96 HydrophobicContact CG2-CB 4.02Å; I49-V96 HydrophobicContact CG2-CG1 4.25Å; I49-V96 HydrophobicContact CG2-CG2 4.12Å; R50-V96 HydrophobicContact CG-CG1 3.68Å; K93-V96 WeakPolarHBondContact O-CB 3.38Å; K93-V96 WeakPolarHBondContact O-CG2 3.37Å; K93-V96 PolarHBondContact O-N 2.73Å; K93-V96 VanDerWaalsContact O-N 3.15Å; E94-V96 PolarHBondContact O-N 3.29Å | ||
| 97 | Q | 88.6 | Confident | 81.8 | Confident | 124 Ų | 124 | 90.8 Ų | 90.8 | 58% | 0.579 | 48% | 0.477 | S | S | * | . | P | Polyproline II helix | trans | -59.1 | 149.4 | 174.1 | -63 | 178.8 | -31.9 | 0 | 0 | 111.7 | R50 A95 | R50-Q97 PolarHBondContact NE-O 3.32Å; R50-Q97 PolarHBondContact NH2-O 3.03Å; A95-Q97 PolarHBondContact O-N 3.18Å |
| 98 | H | 83.3 | Confident | 80.4 | Confident | 157 Ų | 157 | 94 Ų | 94 | 73% | 0.727 | 48% | 0.483 | S | S | * | . | P | Polyproline II helix | trans | -57.2 | 166.1 | 170.8 | 69.6 | 80.4 | 0 | 0 | 0 | 111.8 | R100 | H98-R100 PolarHBondContact O-N 3.19Š|
| 99 | E | 76.1 | Confident | 79.3 | Confident | 126 Ų | 126 | 95.1 Ų | 95.1 | 59% | 0.589 | 48% | 0.481 | S | S | * | . | P | Polyproline II helix | trans | -59.5 | 130.5 | 175.4 | -66.1 | -156.1 | 164 | 0 | 0 | 109.7 | G101 | E99-G101 PolarHBondContact O-N 3.45Š|
| 100 | R | 70.5 | Confident | 78.1 | Confident | 174 Ų | 174 | 98.1 Ų | 98.1 | 66% | 0.657 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -66.2 | 127.1 | 164.4 | -62.9 | -178.5 | -175.4 | 178.9 | 0.4 | 105.1 | H98 | H98-R100 PolarHBondContact O-N 3.19Š|
| 101 | G | 64.5 | Low | 76.9 | Confident | 51 Ų | 51 | 97 Ų | 97 | 53% | 0.526 | 48% | 0.476 | S | S | . | . | P | Polyproline II helix | trans | -53.7 | 171.8 | 169.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E99 R103 | E99-G101 PolarHBondContact O-N 3.45Å; G101-R103 PolarHBondContact O-N 3.44Å |
| 102 | P | 60.3 | Low | 75.9 | Confident | 123 Ų | 123 | 99.7 Ų | 99.7 | 80% | 0.799 | 50% | 0.495 | S | S | * | . | S | Bend | trans | -43.8 | 130.5 | 174.2 | -24.2 | 32.2 | 0 | 0 | 0 | 109.5 | N104 | P102-N104 PolarHBondContact O-N 3.33Å; P102-N104 PolarHBondContact O-OD1 2.91Å |
| 103 | R | 58.2 | Low | 74.9 | Confident | 173 Ų | 173 | 100.2 Ų | 100.2 | 65% | 0.653 | 50% | 0.497 | S | S | * | . | trans | -63.1 | 101.8 | 177.7 | -85.1 | -171.9 | 173.7 | 115 | -7.8 | 107.7 | G101 S105 T106 | G101-R103 PolarHBondContact O-N 3.44Å; R103-S105 PolarHBondContact O-N 3.23Å; R103-T106 PolarHBondContact O-N 3.45Å | ||
| 104 | N | 51.9 | Low | 73.9 | Confident | 86 Ų | 86 | 96.4 Ų | 96.4 | 46% | 0.46 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -54.8 | -20 | 171.2 | -77.2 | 5.8 | 0 | 0 | 0 | 111.8 | P102 T106 L107 R108 | P102-N104 PolarHBondContact O-N 3.33Å; P102-N104 PolarHBondContact O-OD1 2.91Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 3Å; N104-L107 PolarHBondContact O-N 2.84Å; N104-R108 VanDerWaalsContact O-CB 3.32Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 VanDerWaalsContact O-CG 3.31Å; N104-R108 WeakPolarHBondContact O-CG 3.29Å; N104-R108 PolarHBondContact O-N 3.28Å |
| 105 | S | 64.5 | Low | 73.1 | Confident | 72 Ų | 72 | 92.8 Ų | 92.8 | 50% | 0.503 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 172.7 | 68.1 | 0 | 0 | 0 | 0 | 113.4 | R103 R109 | R103-S105 PolarHBondContact O-N 3.23Å; S105-R109 VanDerWaalsContact O-CB 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.26Å; S105-R109 PolarHBondContact O-N 3.13Å |
| 106 | T | 65.4 | Low | 72.1 | Confident | 71 Ų | 71 | 99.2 Ų | 99.2 | 44% | 0.436 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.7 | -42.8 | 177.4 | -56 | 0 | 0 | 0 | 0 | 109.7 | R103 N104 R109 Q110 | R103-T106 PolarHBondContact O-N 3.45Å; N104-T106 VanDerWaalsContact C-N 3.32Å; N104-T106 PolarHBondContact O-N 3Å; T106-R109 PolarHBondContact O-N 3.01Å; T106-Q110 HydrophobicContact CG2-CG 4.49Å; T106-Q110 WeakPolarHBondContact O-CB 3.25Å; T106-Q110 VanDerWaalsContact O-CG 3.3Å; T106-Q110 WeakPolarHBondContact O-CG 3.3Å; T106-Q110 PolarHBondContact O-N 3.2Å |
| 107 | L | 64.5 | Low | 70.1 | Confident | 29 Ų | 29 | 100.2 Ų | 100.2 | 15% | 0.152 | 50% | 0.497 | C | S | . | . | H | α-helix | trans | -63.8 | -49.4 | 175.3 | -171.7 | 151.1 | 0 | 0 | 0 | 111.3 | N104 R109 Q110 M111 V317 N385 | N104-L107 PolarHBondContact O-N 2.84Å; L107-R109 VanDerWaalsContact C-N 3.25Å; L107-R109 PolarHBondContact O-N 2.82Å; L107-Q110 PolarHBondContact O-N 2.92Å; L107-Q110 VanDerWaalsContact O-N 3.14Å; L107-M111 WeakPolarHBondContact O-CB 3.41Å; L107-M111 PolarHBondContact O-N 3.11Å; L107-V317 HydrophobicContact CD2-CG1 4.35Å; L107-V317 HydrophobicContact CD2-CG2 4.17Å; L107-N385 HydrophobicContact CD1-CB 3.22Å; L107-N385 HydrophobicContact CG-CB 4.43Å |
| 108 | R | 68.8 | Low | 68.2 | Low | 144 Ų | 144 | 96.7 Ų | 96.7 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -56.1 | -40.1 | 174.3 | -76.3 | -174.3 | -174.7 | -175.8 | 5 | 111.5 | N104 S112 D313 | N104-R108 VanDerWaalsContact O-CB 3.32Å; N104-R108 WeakPolarHBondContact O-CB 3.47Å; N104-R108 VanDerWaalsContact O-CG 3.31Å; N104-R108 WeakPolarHBondContact O-CG 3.29Å; N104-R108 PolarHBondContact O-N 3.28Å; R108-S112 VanDerWaalsContact O-CB 3.28Å; R108-S112 WeakPolarHBondContact O-CB 3.36Å; R108-S112 PolarHBondContact O-N 2.94Å; R108-S112 PolarHBondContact O-OG 3.05Å; R108-D313 IonicContact CZ-OD2 3.98Å; R108-D313 IonicContact NH2-OD2 3.21Å; R108-D313 PolarHBondContact NH2-OD2 3.38Å |
| 109 | R | 75.6 | Confident | 66.2 | Low | 177 Ų | 177 | 93.1 Ų | 93.1 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.3 | -49.2 | 174.8 | -176.2 | 178.6 | 177.9 | -175.9 | -0.6 | 111.4 | S105 T106 L107 M111 S112 L113 | S105-R109 VanDerWaalsContact O-CB 3.25Å; S105-R109 WeakPolarHBondContact O-CB 3.26Å; S105-R109 PolarHBondContact O-N 3.13Å; T106-R109 PolarHBondContact O-N 3.01Å; L107-R109 VanDerWaalsContact C-N 3.25Å; L107-R109 PolarHBondContact O-N 2.82Å; R109-M111 VanDerWaalsContact C-N 3.31Å; R109-M111 PolarHBondContact O-N 3.32Å; R109-S112 WeakPolarHBondContact CA-OG 3.41Å; R109-S112 PolarHBondContact O-N 2.91Å; R109-S112 PolarHBondContact O-OG 3.47Å; R109-L113 HydrophobicContact CG-CD1 4.14Å; R109-L113 VanDerWaalsContact O-CG 3.31Å; R109-L113 WeakPolarHBondContact O-CG 3.2Å; R109-L113 PolarHBondContact O-N 2.95Å |
| 110 | Q | 72.9 | Confident | 64.6 | Low | 103 Ų | 103 | 92.6 Ų | 92.6 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 177.8 | -75.7 | 173.3 | -14.5 | 0 | 0 | 111.3 | T106 L107 L113 F114 | T106-Q110 HydrophobicContact CG2-CG 4.49Å; T106-Q110 WeakPolarHBondContact O-CB 3.25Å; T106-Q110 VanDerWaalsContact O-CG 3.3Å; T106-Q110 WeakPolarHBondContact O-CG 3.3Å; T106-Q110 PolarHBondContact O-N 3.2Å; L107-Q110 PolarHBondContact O-N 2.92Å; L107-Q110 VanDerWaalsContact O-N 3.14Å; Q110-L113 PolarHBondContact O-N 3.15Å; Q110-F114 VanDerWaalsContact O-CB 3.25Å; Q110-F114 WeakPolarHBondContact O-CB 3.31Å; Q110-F114 PolarHBondContact O-N 2.85Å |
| 111 | M | 72.3 | Confident | 63.1 | Low | 20 Ų | 20 | 92.1 Ų | 92.1 | 10% | 0.099 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -58.3 | -51.8 | 173 | -164.7 | 74.2 | 176.9 | 0 | 0 | 110.7 | L107 R109 L113 F114 F115 V317 A320 V321 L382 | L107-M111 WeakPolarHBondContact O-CB 3.41Å; L107-M111 PolarHBondContact O-N 3.11Å; R109-M111 VanDerWaalsContact C-N 3.31Å; R109-M111 PolarHBondContact O-N 3.32Å; M111-L113 VanDerWaalsContact C-N 3.26Å; M111-L113 PolarHBondContact O-N 3.11Å; M111-F114 PolarHBondContact O-N 3.36Å; M111-F115 HydrophobicContact CE-CD2 3.58Å; M111-F115 HydrophobicContact CE-CE1 4.33Å; M111-F115 HydrophobicContact CE-CE2 3Å; M111-F115 HydrophobicContact CE-CG 4.48Å; M111-F115 HydrophobicContact CE-CZ 3.43Å; M111-F115 VanDerWaalsContact CE-CZ 3.43Å; M111-F115 HydrophobicContact CG-CD2 3.89Å; M111-F115 HydrophobicContact CG-CE2 4.13Å; M111-F115 VanDerWaalsContact O-CD2 3.29Å; M111-F115 WeakPolarHBondContact O-CD2 3.45Å; M111-F115 PolarHBondContact O-N 3.33Å; M111-F115 HydrophobicContact SD-CD2 3.65Å; M111-F115 HydrophobicContact SD-CE2 3.26Å; M111-F115 WeakPolarHBondContact SD-CE2 3.3Å; M111-F115 HydrophobicContact SD-CZ 4.24Å; M111-V317 HydrophobicContact CE-CB 4.3Å; M111-V317 HydrophobicContact CE-CG1 3.87Å; M111-V317 HydrophobicContact CE-CG2 4.45Å; M111-V317 HydrophobicContact SD-CG1 3.98Å; M111-A320 HydrophobicContact CE-CB 3.42Å; M111-A320 VanDerWaalsContact CE-CB 3.42Å; M111-V321 HydrophobicContact CE-CG2 4.13Å; M111-L382 HydrophobicContact SD-CD1 3.66Å; M111-L382 HydrophobicContact SD-CD2 3.74Å; M111-L382 HydrophobicContact SD-CG 4.28Å |
| 112 | S | 77 | Confident | 61.7 | Low | 62 Ų | 62 | 96.8 Ų | 96.8 | 43% | 0.434 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -58.9 | -38.7 | 178.8 | 71.5 | 0 | 0 | 0 | 0 | 112.1 | R108 R109 K116 | R108-S112 VanDerWaalsContact O-CB 3.28Å; R108-S112 WeakPolarHBondContact O-CB 3.36Å; R108-S112 PolarHBondContact O-N 2.94Å; R108-S112 PolarHBondContact O-OG 3.05Å; R109-S112 WeakPolarHBondContact CA-OG 3.41Å; R109-S112 PolarHBondContact O-N 2.91Å; R109-S112 PolarHBondContact O-OG 3.47Å; S112-K116 WeakPolarHBondContact O-CB 3.47Å; S112-K116 PolarHBondContact O-N 3.41Å |
| 113 | L | 76.4 | Confident | 60.6 | Low | 89 Ų | 89 | 97.7 Ų | 97.7 | 47% | 0.466 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -71.2 | -43.4 | 177.6 | -68.7 | 171.5 | 0 | 0 | 0 | 111.8 | R109 Q110 M111 G117 | R109-L113 HydrophobicContact CG-CD1 4.14Å; R109-L113 VanDerWaalsContact O-CG 3.31Å; R109-L113 WeakPolarHBondContact O-CG 3.2Å; R109-L113 PolarHBondContact O-N 2.95Å; Q110-L113 PolarHBondContact O-N 3.15Å; M111-L113 VanDerWaalsContact C-N 3.26Å; M111-L113 PolarHBondContact O-N 3.11Å; L113-G117 PolarHBondContact O-N 2.9Å |
| 114 | F | 75.4 | Confident | 59.3 | Low | 37 Ų | 37 | 94.2 Ų | 94.2 | 16% | 0.162 | 51% | 0.507 | C | S | . | . | H | α-helix | trans | -64.9 | -41.6 | -177.9 | -170.6 | -95.6 | 0 | 0 | 0 | 111.9 | Q110 M111 K324 M375 L379 L382 | Q110-F114 VanDerWaalsContact O-CB 3.25Å; Q110-F114 WeakPolarHBondContact O-CB 3.31Å; Q110-F114 PolarHBondContact O-N 2.85Å; M111-F114 PolarHBondContact O-N 3.36Å; F114-K324 HydrophobicContact CE1-CG 4.13Å; F114-M375 HydrophobicContact CE1-CE 4.28Å; F114-M375 HydrophobicContact CE2-CE 4.17Å; F114-M375 HydrophobicContact CE2-SD 4.08Å; F114-M375 HydrophobicContact CZ-CE 3.79Å; F114-M375 VanDerWaalsContact CZ-O 3.28Å; F114-M375 WeakPolarHBondContact CZ-O 3.38Å; F114-M375 HydrophobicContact CZ-SD 4.22Å; F114-L379 HydrophobicContact CD1-CD2 4.47Å; F114-L379 HydrophobicContact CE1-CD2 3.52Å; F114-L379 HydrophobicContact CE1-CG 3.87Å; F114-L379 HydrophobicContact CZ-CD2 4.05Å; F114-L379 HydrophobicContact CZ-CG 3.87Å; F114-L382 HydrophobicContact CD1-CD1 3.83Å; F114-L382 HydrophobicContact CE1-CD1 4.27Å; F114-L382 HydrophobicContact CG-CD1 4.23Å |
| 115 | F | 78.3 | Confident | 58.3 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 28% | 0.281 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -84.5 | -25.9 | -179.8 | -75.6 | -93.6 | 0 | 0 | 0 | 113.6 | M111 G117 A320 K324 L382 | M111-F115 HydrophobicContact CE-CD2 3.58Å; M111-F115 HydrophobicContact CE-CE1 4.33Å; M111-F115 HydrophobicContact CE-CE2 3Å; M111-F115 HydrophobicContact CE-CG 4.48Å; M111-F115 HydrophobicContact CE-CZ 3.43Å; M111-F115 VanDerWaalsContact CE-CZ 3.43Å; M111-F115 HydrophobicContact CG-CD2 3.89Å; M111-F115 HydrophobicContact CG-CE2 4.13Å; M111-F115 VanDerWaalsContact O-CD2 3.29Å; M111-F115 WeakPolarHBondContact O-CD2 3.45Å; M111-F115 PolarHBondContact O-N 3.33Å; M111-F115 HydrophobicContact SD-CD2 3.65Å; M111-F115 HydrophobicContact SD-CE2 3.26Å; M111-F115 WeakPolarHBondContact SD-CE2 3.3Å; M111-F115 HydrophobicContact SD-CZ 4.24Å; F115-G117 VanDerWaalsContact C-N 3.32Å; F115-A320 HydrophobicContact CE1-CB 3.86Å; F115-A320 VanDerWaalsContact CE1-O 3.24Å; F115-A320 WeakPolarHBondContact CE1-O 3.46Å; F115-A320 HydrophobicContact CZ-CB 3.91Å; F115-A320 WeakPolarHBondContact CZ-O 3.19Å; F115-K324 HydrophobicContact CE1-CB 3.71Å; F115-K324 HydrophobicContact CE1-CG 4.23Å; F115-K324 HydrophobicContact CZ-CB 3.95Å; F115-K324 HydrophobicContact CZ-CG 4.46Å; F115-L382 HydrophobicContact CE2-CD1 3.78Å |
| 116 | K | 75.8 | Confident | 56.8 | Low | 182 Ų | 182 | 98.1 Ų | 98.1 | 79% | 0.791 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -74.6 | -21.2 | 177 | -170.7 | 171 | -175.8 | 177.5 | 0 | 113.2 | S112 | S112-K116 WeakPolarHBondContact O-CB 3.47Å; S112-K116 PolarHBondContact O-N 3.41Å |
| 117 | G | 53.1 | Low | 55.2 | Low | 41 Ų | 41 | 102.8 Ų | 102.8 | 42% | 0.423 | 56% | 0.557 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.6 | 4.2 | -174 | 0 | 0 | 0 | 0 | 0 | 116.8 | L113 F115 A119 | L113-G117 PolarHBondContact O-N 2.9Å; F115-G117 VanDerWaalsContact C-N 3.32Å; G117-A119 VanDerWaalsContact C-N 3.26Å; G117-A119 PolarHBondContact O-N 3.18Å |
| 118 | S | 47.5 | Very low | 53.7 | Low | 49 Ų | 49 | 105.9 Ų | 105.9 | 34% | 0.343 | 59% | 0.586 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -81.2 | -1.5 | 178.6 | -61.7 | 0 | 0 | 0 | 0 | 114.3 | L120 K324 | S118-L120 PolarHBondContact O-N 2.71Å; S118-K324 VanDerWaalsContact CB-NZ 3.32Å; S118-K324 VanDerWaalsContact OG-CE 3.28Å; S118-K324 WeakPolarHBondContact OG-CE 3.3Å; S118-K324 PolarHBondContact OG-NZ 2.88Å |
| 119 | A | 41.1 | Very low | 51.9 | Low | 82 Ų | 82 | 107.1 Ų | 107.1 | 68% | 0.678 | 60% | 0.602 | S | S | * | * | trans | -94.6 | 73.1 | 164.8 | 0 | 0 | 0 | 0 | 0 | 109.2 | G117 D121 | G117-A119 VanDerWaalsContact C-N 3.26Å; G117-A119 PolarHBondContact O-N 3.18Å; A119-D121 VanDerWaalsContact C-N 3.26Å | ||
| 120 | L | 42.9 | Very low | 49.7 | Very low | 116 Ų | 116 | 104.7 Ų | 104.7 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | trans | -92.6 | 22.7 | 171.2 | -105 | 170.8 | 0 | 0 | 0 | 112.1 | S118 L123 L371 | S118-L120 PolarHBondContact O-N 2.71Å; L120-L123 HydrophobicContact CD2-CD1 4.31Å; L120-L371 HydrophobicContact CD1-CD1 4.44Å | ||
| 121 | D | 39.2 | Very low | 47.6 | Very low | 164 Ų | 164 | 105.6 Ų | 105.6 | 88% | 0.877 | 62% | 0.622 | S | S | * | * | trans | -92.8 | 1.3 | 174 | -87.7 | -33.3 | 0 | 0 | 0 | 114.1 | A119 | A119-D121 VanDerWaalsContact C-N 3.26Š| ||
| 122 | D | 35.8 | Very low | 45.5 | Very low | 148 Ų | 148 | 116.4 Ų | 116.4 | 79% | 0.791 | 66% | 0.662 | S | S | * | * | trans | -99.5 | 20 | -176.7 | -124.3 | -5.2 | 0 | 0 | 0 | 114.7 | S124 | D122-S124 PolarHBondContact O-N 3.08Š| ||
| 123 | L | 36.7 | Very low | 43.1 | Very low | 143 Ų | 143 | 122.3 Ų | 122.3 | 75% | 0.749 | 69% | 0.685 | S | S | * | * | trans | -94.9 | 81.5 | 163.7 | -75.6 | 165.8 | 0 | 0 | 0 | 108.8 | L120 | L120-L123 HydrophobicContact CD2-CD1 4.31Š| ||
| 124 | S | 29.5 | Very low | 40.9 | Very low | 100 Ų | 100 | 121.4 Ų | 121.4 | 70% | 0.699 | 70% | 0.697 | S | S | * | * | P | Polyproline II helix | trans | -48.9 | 133.3 | 162.5 | -73.9 | 0 | 0 | 0 | 0 | 109.8 | D122 | D122-S124 PolarHBondContact O-N 3.08Š|
| 125 | P | 32.3 | Very low | 38.5 | Very low | 115 Ų | 115 | 129.5 Ų | 129.5 | 75% | 0.747 | 73% | 0.732 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 137 | -171.7 | -15.5 | 28.5 | 0 | 0 | 0 | 111 | L127 | P125-L127 PolarHBondContact O-N 3.36Š|
| 126 | P | 33 | Very low | 36 | Very low | 125 Ų | 125 | 135 Ų | 135 | 81% | 0.812 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -65.1 | 130.7 | 171.4 | 25.6 | -27.9 | 0 | 0 | 0 | 109 | A128 | P126-A128 PolarHBondContact O-N 3.04Š|
| 127 | L | 32.1 | Very low | 33.6 | Very low | 169 Ų | 169 | 130.9 Ų | 130.9 | 89% | 0.885 | 76% | 0.763 | S | S | * | * | trans | -38.6 | 126.4 | -176.8 | -68.8 | 163.5 | 0 | 0 | 0 | 112.9 | P125 L129 | P125-L127 PolarHBondContact O-N 3.36Å; L127-L129 PolarHBondContact O-N 3.33Å | ||
| 128 | A | 32.1 | Very low | 32.4 | Very low | 93 Ų | 93 | 134.6 Ų | 134.6 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -55.4 | 106.4 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | P126 T130 | P126-A128 PolarHBondContact O-N 3.04Å; A128-T130 PolarHBondContact O-N 3.38Å | ||
| 129 | L | 30.1 | Very low | 31.4 | Very low | 170 Ų | 170 | 138.5 Ų | 138.5 | 89% | 0.89 | 80% | 0.804 | S | S | * | * | trans | -81.1 | 101.6 | 157.9 | -76 | 168.2 | 0 | 0 | 0 | 107.5 | L127 P131 | L127-L129 PolarHBondContact O-N 3.33Å; L129-P131 WeakPolarHBondContact O-CD 3.29Å | ||
| 130 | T | 29.5 | Very low | 30.4 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | trans | -61 | 124.3 | 176.5 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | A128 R132 | A128-T130 PolarHBondContact O-N 3.38Å; T130-R132 PolarHBondContact O-N 3.46Å | ||
| 131 | P | 30.5 | Very low | 29.5 | Very low | 122 Ų | 122 | 139.1 Ų | 139.1 | 79% | 0.792 | 81% | 0.813 | S | S | * | * | trans | -79.2 | 118.3 | 169.3 | -4.2 | 21.9 | 0 | 0 | 0 | 109.4 | L129 M133 | L129-P131 WeakPolarHBondContact O-CD 3.29Å; P131-M133 PolarHBondContact O-N 2.95Å; P131-M133 VanDerWaalsContact O-N 3.16Å | ||
| 132 | R | 26.4 | Very low | 28.7 | Very low | 247 Ų | 247 | 136.3 Ų | 136.3 | 93% | 0.932 | 81% | 0.807 | S | S | * | * | trans | -66.7 | 104.8 | 172.3 | -172 | 180 | -175.1 | -169.2 | 1.8 | 109 | T130 G134 | T130-R132 PolarHBondContact O-N 3.46Å; R132-G134 PolarHBondContact O-N 2.82Å; R132-G134 VanDerWaalsContact O-N 3.14Å | ||
| 133 | M | 27.6 | Very low | 28.1 | Very low | 186 Ų | 186 | 138 Ų | 138 | 92% | 0.916 | 81% | 0.81 | S | S | * | * | trans | -68 | 106.3 | 172.6 | -74.1 | -154.7 | 170.7 | 0 | 0 | 110.5 | P131 | P131-M133 PolarHBondContact O-N 2.95Å; P131-M133 VanDerWaalsContact O-N 3.16Å | ||
| 134 | G | 29.9 | Very low | 27.4 | Very low | 70 Ų | 70 | 139.5 Ų | 139.5 | 72% | 0.722 | 81% | 0.813 | S | S | * | * | trans | -83.2 | 125.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | R132 | R132-G134 PolarHBondContact O-N 2.82Å; R132-G134 VanDerWaalsContact O-N 3.14Å | ||
| 135 | K | 24.3 | Very low | 27 | Very low | 207 Ų | 207 | 142 Ų | 142 | 90% | 0.9 | 82% | 0.818 | S | S | * | * | trans | -57.4 | 133.7 | 175.1 | -63.7 | 171.9 | 175.8 | -179.6 | 0 | 111.6 | ||||
| 136 | L | 26.2 | Very low | 26.6 | Very low | 180 Ų | 180 | 142.3 Ų | 142.3 | 94% | 0.942 | 82% | 0.822 | S | S | * | * | trans | -127.9 | 123.6 | 155.7 | -82 | 165.4 | 0 | 0 | 0 | 108.7 | ||||
| 137 | A | 25.1 | Very low | 25.9 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -87.5 | 161.4 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 138 | P | 28.3 | Very low | 25.4 | Very low | 120 Ų | 120 | 142.7 Ų | 142.7 | 78% | 0.779 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -98.7 | 152.8 | -165 | 37.1 | -30.9 | 0 | 0 | 0 | 113.1 | ||
| 139 | P | 26.3 | Very low | 24.9 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 84% | 0.844 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.8 | 141.9 | 166.3 | 33.2 | -27.9 | 0 | 0 | 0 | 112.2 | ||
| 140 | S | 21.6 | Very low | 24.5 | Very low | 108 Ų | 108 | 143.9 Ų | 143.9 | 76% | 0.755 | 83% | 0.825 | S | S | * | * | trans | -85.5 | 174.7 | 177 | 48.7 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 141 | S | 22.9 | Very low | 24.2 | Very low | 103 Ų | 103 | 141.5 Ų | 141.5 | 72% | 0.72 | 83% | 0.826 | S | S | * | * | trans | 79.7 | 99.4 | 159.8 | 53 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 142 | S | 22.7 | Very low | 23.8 | Very low | 106 Ų | 106 | 140.8 Ų | 140.8 | 74% | 0.741 | 83% | 0.83 | S | S | * | * | 44.1 | 118.9 | 117.8 | 48.5 | 0 | 0 | 0 | 0 | 120.6 | |||||
| 143 | E | 24.1 | Very low | 23.6 | Very low | 184 Ų | 184 | 140.9 Ų | 140.9 | 86% | 0.86 | 83% | 0.83 | S | S | * | * | 174.9 | 127.9 | 115.1 | -93.8 | 175.1 | 170 | 0 | 0 | 112.5 | |||||
| 144 | E | 21.6 | Very low | 23.3 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 83% | 0.827 | S | S | * | * | trans | 48.5 | 125.9 | 143.2 | -55.1 | -155.9 | 140.7 | 0 | 0 | 126.1 | ||||
| 145 | L | 21.2 | Very low | 23 | Very low | 151 Ų | 151 | 142.4 Ų | 142.4 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | 17 | 125.6 | 139.3 | -78.7 | 85.5 | 0 | 0 | 0 | 121 | ||||
| 146 | C | 22.4 | Very low | 22.9 | Very low | 123 Ų | 123 | 140 Ų | 140 | 83% | 0.831 | 82% | 0.821 | S | S | * | * | -177.8 | 147.2 | 104.2 | -92.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 147 | F | 18.8 | Very low | 22.7 | Very low | 222 Ų | 222 | 140.6 Ų | 140.6 | 97% | 0.974 | 82% | 0.817 | S | S | * | * | trans | -63.7 | 141.9 | 178.6 | -80.5 | -104.6 | 0 | 0 | 0 | 113.5 | ||||
| 148 | G | 22.2 | Very low | 22.6 | Very low | 79 Ų | 79 | 141.6 Ų | 141.6 | 81% | 0.814 | 81% | 0.813 | S | S | * | * | trans | 172.1 | 112.7 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 149 | T | 21.5 | Very low | 22.4 | Very low | 127 Ų | 127 | 138.6 Ų | 138.6 | 78% | 0.779 | 80% | 0.804 | S | S | * | * | trans | -64 | 153.5 | -172.4 | 48.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 150 | N | 21.6 | Very low | 22.2 | Very low | 162 Ų | 162 | 142.8 Ų | 142.8 | 87% | 0.866 | 80% | 0.804 | S | S | * | * | trans | 82 | 120.8 | 156 | -64.8 | -24.4 | 0 | 0 | 0 | 119.1 | ||||
| 151 | G | 22.4 | Very low | 22.4 | Very low | 76 Ų | 76 | 145.5 Ų | 145.5 | 78% | 0.784 | 81% | 0.81 | S | S | * | * | trans | 114.9 | 75.1 | 144.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | R153 | G151-R153 PolarHBondContact O-N 3.39Š| ||
| 152 | A | 22.2 | Very low | 22.9 | Very low | 106 Ų | 106 | 148.9 Ų | 148.9 | 88% | 0.876 | 82% | 0.815 | S | S | * | * | trans | -47.8 | 120.3 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 153 | R | 21.9 | Very low | 23.1 | Very low | 249 Ų | 249 | 151.3 Ų | 151.3 | 94% | 0.94 | 81% | 0.812 | S | S | * | * | trans | -132.9 | 90 | 154.3 | -143.2 | 178.2 | -169.5 | -160.1 | 3.1 | 107.6 | G151 | G151-R153 PolarHBondContact O-N 3.39Š| ||
| 154 | Q | 22.4 | Very low | 23.2 | Very low | 180 Ų | 180 | 152.2 Ų | 152.2 | 84% | 0.841 | 81% | 0.814 | S | S | * | * | trans | -94.5 | 157.3 | 166.6 | -81.3 | -81.3 | -10.8 | 0 | 0 | 109.3 | ||||
| 155 | P | 23.9 | Very low | 23.4 | Very low | 108 Ų | 108 | 153.6 Ų | 153.6 | 70% | 0.701 | 82% | 0.82 | S | S | * | * | trans | -94.5 | 166.2 | -143.7 | 36.2 | -37.8 | 0 | 0 | 0 | 115.2 | F157 | P155-F157 PolarHBondContact O-N 3.44Š| ||
| 156 | I | 22.6 | Very low | 23.8 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 81% | 0.805 | 82% | 0.821 | S | S | * | * | trans | -58.6 | 111.5 | 174.8 | -59.7 | 158.2 | 0 | 0 | 0 | 109.5 | T158 | I156-T158 HydrophobicContact CG2-CG2 4.1Š| ||
| 157 | F | 20.8 | Very low | 24 | Very low | 193 Ų | 193 | 149.3 Ų | 149.3 | 85% | 0.846 | 82% | 0.815 | S | S | * | * | trans | -116.3 | 103 | 156.8 | -153 | -98.8 | 0 | 0 | 0 | 109 | P155 | P155-F157 PolarHBondContact O-N 3.44Š| ||
| 158 | T | 23.7 | Very low | 24.4 | Very low | 116 Ų | 116 | 142.9 Ų | 142.9 | 71% | 0.712 | 80% | 0.803 | S | S | * | * | trans | -68.2 | 130.3 | 168.4 | 44.9 | 0 | 0 | 0 | 0 | 110 | I156 | I156-T158 HydrophobicContact CG2-CG2 4.1Š| ||
| 159 | G | 23.3 | Very low | 24.6 | Very low | 57 Ų | 57 | 144 Ų | 144 | 59% | 0.588 | 80% | 0.796 | S | S | * | * | trans | 121.1 | 98.4 | 161.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 160 | Y | 22.4 | Very low | 25.1 | Very low | 217 Ų | 217 | 147.1 Ų | 147.1 | 85% | 0.851 | 80% | 0.795 | S | S | * | * | trans | 162.3 | 75.7 | 137.7 | -104.5 | -91.2 | 0 | 0 | 0 | 108.5 | ||||
| 161 | N | 26.4 | Very low | 25.4 | Very low | 165 Ų | 165 | 146.2 Ų | 146.2 | 88% | 0.882 | 79% | 0.789 | S | S | * | * | trans | -146 | 65.6 | 163.6 | -91.4 | -37.7 | 0 | 0 | 0 | 108 | ||||
| 162 | Q | 33.6 | Very low | 25.8 | Very low | 175 Ų | 175 | 152.2 Ų | 152.2 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -130.9 | 15.9 | 167.4 | -158.2 | 177.4 | -20.7 | 0 | 0 | 112.6 | ||
| 163 | F | 27.1 | Very low | 26.1 | Very low | 156 Ų | 156 | 155.7 Ų | 155.7 | 68% | 0.684 | 80% | 0.797 | S | S | * | * | S | Bend | trans | -135.2 | 138.3 | 171 | -67.5 | -84.3 | 0 | 0 | 0 | 107.7 | ||
| 164 | F | 24.9 | Very low | 26.3 | Very low | 203 Ų | 203 | 150.7 Ų | 150.7 | 89% | 0.89 | 79% | 0.789 | S | S | * | * | S | Bend | trans | 92 | 43.8 | -170.1 | -51.7 | -76.9 | 0 | 0 | 0 | 117.7 | ||
| 165 | Q | 26.9 | Very low | 27 | Very low | 204 Ų | 204 | 147.5 Ų | 147.5 | 95% | 0.953 | 78% | 0.784 | S | S | * | * | trans | -127.7 | 64.5 | 135.6 | -88.4 | -170.6 | -17.5 | 0 | 0 | 108.7 | ||||
| 166 | A | 28.8 | Very low | 27.1 | Very low | 98 Ų | 98 | 148 Ų | 148 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -130.7 | 60.4 | 179.8 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 167 | A | 26 | Very low | 27.2 | Very low | 85 Ų | 85 | 151.9 Ų | 151.9 | 70% | 0.702 | 79% | 0.79 | S | S | * | * | trans | -157.9 | 52.4 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 168 | A | 27 | Very low | 27.5 | Very low | 88 Ų | 88 | 152.8 Ų | 152.8 | 73% | 0.727 | 79% | 0.793 | S | S | * | * | trans | -141.8 | 66.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y170 | A168-Y170 VanDerWaalsContact C-N 3.29Å; A168-Y170 PolarHBondContact O-N 3.37Å | ||
| 169 | P | 28 | Very low | 27.7 | Very low | 101 Ų | 101 | 155.5 Ų | 155.5 | 66% | 0.656 | 80% | 0.8 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.8 | 37.7 | 179.5 | 38.2 | -34.1 | 0 | 0 | 0 | 113.3 | ||
| 170 | Y | 30.6 | Very low | 27.8 | Very low | 194 Ų | 194 | 160.4 Ų | 160.4 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -132.3 | 4.9 | 176.1 | -67.2 | -67.2 | 0 | 0 | 0 | 116.6 | A168 | A168-Y170 VanDerWaalsContact C-N 3.29Å; A168-Y170 PolarHBondContact O-N 3.37Å |
| 171 | L | 27.9 | Very low | 28 | Very low | 142 Ų | 142 | 154.7 Ų | 154.7 | 74% | 0.743 | 81% | 0.809 | S | S | * | * | S | Bend | trans | -122.4 | 128.6 | 167.4 | -61.6 | 175 | 0 | 0 | 0 | 107.3 | ||
| 172 | F | 31.4 | Very low | 27.8 | Very low | 203 Ų | 203 | 150.6 Ų | 150.6 | 89% | 0.89 | 81% | 0.807 | S | S | * | * | trans | 92.1 | 62.8 | -178.9 | -45.5 | -68.2 | 0 | 0 | 0 | 117.1 | ||||
| 173 | L | 28.9 | Very low | 27.3 | Very low | 179 Ų | 179 | 150.3 Ų | 150.3 | 94% | 0.937 | 81% | 0.81 | S | S | * | * | trans | -116.9 | 81.9 | 143.5 | -95 | 144.3 | 0 | 0 | 0 | 109.1 | ||||
| 174 | N | 25.3 | Very low | 27 | Very low | 144 Ų | 144 | 146 Ų | 146 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | -155 | 123.3 | 142.2 | -141.6 | -18.9 | 0 | 0 | 0 | 111.9 | ||||
| 175 | P | 37.1 | Very low | 27 | Very low | 112 Ų | 112 | 142.2 Ų | 142.2 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -98 | 108.9 | -175.2 | 34 | -25 | 0 | 0 | 0 | 111.4 | ||||
| 176 | T | 26.1 | Very low | 26.7 | Very low | 119 Ų | 119 | 142.5 Ų | 142.5 | 73% | 0.73 | 80% | 0.804 | S | S | * | * | trans | -157.8 | 15.2 | 161.8 | 10.3 | 0 | 0 | 0 | 0 | 116.2 | K178 | T176-K178 PolarHBondContact O-N 3.05Š| ||
| 177 | W | 24.4 | Very low | 26.4 | Very low | 239 Ų | 239 | 142.9 Ų | 142.9 | 91% | 0.905 | 80% | 0.801 | S | S | * | * | trans | -100.5 | 68.5 | 172.8 | -72.2 | 74.7 | 0 | 0 | 0 | 110.4 | ||||
| 178 | K | 27 | Very low | 26 | Very low | 212 Ų | 212 | 143 Ų | 143 | 92% | 0.922 | 80% | 0.802 | S | S | * | * | trans | -126.5 | 25.1 | 165.9 | -133.8 | -178.1 | -173.3 | -176.1 | 0 | 112.1 | T176 | T176-K178 PolarHBondContact O-N 3.05Š| ||
| 179 | M | 28.5 | Very low | 25.8 | Very low | 172 Ų | 172 | 143.5 Ų | 143.5 | 85% | 0.847 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -127.5 | 18.2 | -174.3 | -129.5 | 175.3 | 78.8 | 0 | 0 | 115 | ||
| 180 | L | 26.2 | Very low | 25.4 | Very low | 160 Ų | 160 | 146.4 Ų | 146.4 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -147 | 70.5 | 170.3 | -78.9 | 170.8 | 0 | 0 | 0 | 110.4 | ||
| 181 | A | 25.4 | Very low | 24.9 | Very low | 97 Ų | 97 | 144.2 Ų | 144.2 | 80% | 0.802 | 81% | 0.808 | S | S | * | * | trans | -165 | 86.3 | 153.5 | 0 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 182 | G | 22.2 | Very low | 24.5 | Very low | 80 Ų | 80 | 144.2 Ų | 144.2 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | -61.1 | 139 | 174.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | G184 | G182-G184 PolarHBondContact O-N 3.08Š| ||
| 183 | N | 22.9 | Very low | 23.9 | Very low | 168 Ų | 168 | 144.9 Ų | 144.9 | 90% | 0.898 | 80% | 0.801 | S | S | * | * | trans | -59.3 | 127.9 | 164.2 | -70.5 | -26.1 | 0 | 0 | 0 | 109.5 | ||||
| 184 | G | 21.4 | Very low | 23.5 | Very low | 66 Ų | 66 | 140.8 Ų | 140.8 | 68% | 0.68 | 79% | 0.787 | S | S | * | * | trans | -153.8 | 81.1 | 163.6 | 0 | 0 | 0 | 0 | 0 | 109.9 | G182 F186 | G182-G184 PolarHBondContact O-N 3.08Å; G184-F186 PolarHBondContact O-N 3.12Å | ||
| 185 | P | 25.3 | Very low | 23.4 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 81% | 0.805 | 79% | 0.788 | S | S | * | * | trans | -73.9 | 112.6 | 165.5 | 27.7 | -27.2 | 0 | 0 | 0 | 108.8 | ||||
| 186 | F | 21.4 | Very low | 22.7 | Very low | 209 Ų | 209 | 138.6 Ų | 138.6 | 92% | 0.917 | 79% | 0.792 | S | S | * | * | P | Polyproline II helix | trans | -71.5 | 147.5 | 165 | -118.8 | -92.5 | 0 | 0 | 0 | 109.9 | G184 | G184-F186 PolarHBondContact O-N 3.12Š|
| 187 | S | 20.6 | Very low | 23.1 | Very low | 106 Ų | 106 | 138.2 Ų | 138.2 | 74% | 0.741 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -46.1 | 146.8 | 178.8 | -171.6 | 0 | 0 | 0 | 0 | 115 | ||
| 188 | A | 19 | Very low | 23.1 | Very low | 88 Ų | 88 | 134.5 Ų | 134.5 | 73% | 0.727 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -48 | 136.2 | 154.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||
| 189 | A | 22.5 | Very low | 23 | Very low | 98 Ų | 98 | 128.7 Ų | 128.7 | 81% | 0.81 | 77% | 0.774 | S | S | * | * | trans | -156.3 | 112.7 | 152.4 | 0 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 190 | E | 19.5 | Very low | 22.8 | Very low | 163 Ų | 163 | 127.5 Ų | 127.5 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -29.8 | 153 | 160.9 | -121.5 | 94.5 | 173.3 | 0 | 0 | 117.7 | ||||
| 191 | E | 19.8 | Very low | 22.8 | Very low | 147 Ų | 147 | 128.6 Ų | 128.6 | 69% | 0.687 | 77% | 0.774 | S | S | * | * | trans | 89 | 123.4 | 131.9 | -84.6 | -175 | 136 | 0 | 0 | 123.6 | ||||
| 192 | Q | 19.7 | Very low | 22.7 | Very low | 143 Ų | 143 | 132.1 Ų | 132.1 | 67% | 0.668 | 77% | 0.772 | S | S | * | * | 94.8 | 115.3 | 122.8 | -83.2 | -179.7 | 16.5 | 0 | 0 | 120.1 | |||||
| 193 | R | 19.3 | Very low | 22.8 | Very low | 216 Ų | 216 | 133.4 Ų | 133.4 | 82% | 0.815 | 77% | 0.768 | S | S | * | * | 66.9 | 115 | 127.3 | -88.2 | -169.2 | 171.4 | -153.4 | -2.2 | 118.8 | |||||
| 194 | S | 20 | Very low | 23 | Very low | 94 Ų | 94 | 131.1 Ų | 131.1 | 66% | 0.657 | 76% | 0.762 | S | S | * | * | 87.8 | 143.2 | 115.9 | -60.2 | 0 | 0 | 0 | 0 | 118.9 | |||||
| 195 | S | 22.2 | Very low | 23.3 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 78% | 0.783 | 77% | 0.772 | S | S | * | * | trans | 78.6 | 99 | 152.1 | 39.9 | 0 | 0 | 0 | 0 | 119 | ||||
| 196 | A | 24.4 | Very low | 23.3 | Very low | 97 Ų | 97 | 135.5 Ų | 135.5 | 80% | 0.802 | 76% | 0.764 | S | S | * | * | 84.1 | 157 | 118.8 | 0 | 0 | 0 | 0 | 0 | 118.3 | |||||
| 197 | P | 33.6 | Very low | 23.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | trans | -114.3 | 149.2 | -133.7 | 38.6 | -28.6 | 0 | 0 | 0 | 111.9 | ||||
| 198 | L | 25 | Very low | 24 | Very low | 162 Ų | 162 | 133.4 Ų | 133.4 | 85% | 0.848 | 76% | 0.759 | S | S | * | * | trans | -143.4 | 102.9 | 149.1 | -77.1 | -179.3 | 0 | 0 | 0 | 109.3 | M200 | L198-M200 PolarHBondContact O-N 2.68Š| ||
| 199 | S | 24.1 | Very low | 24.4 | Very low | 90 Ų | 90 | 136.7 Ų | 136.7 | 63% | 0.629 | 76% | 0.764 | S | S | * | * | trans | -8.9 | 109.6 | 130.6 | 47.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 200 | M | 24.7 | Very low | 24.6 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 72% | 0.719 | 76% | 0.764 | S | S | * | * | trans | 176.7 | 62.1 | 135.1 | -87.5 | -50.3 | 151 | 0 | 0 | 107 | L198 F202 | L198-M200 PolarHBondContact O-N 2.68Å; M200-F202 HydrophobicContact CB-CD2 4.2Å; M200-F202 HydrophobicContact CB-CE2 4.38Å; M200-F202 HydrophobicContact CG-CE2 4.25Å; M200-F202 PolarHBondContact O-N 3.13Å; M200-F202 HydrophobicContact SD-CD2 4.32Å; M200-F202 HydrophobicContact SD-CE2 3.75Å | ||
| 201 | L | 25.1 | Very low | 24.9 | Very low | 183 Ų | 183 | 138.9 Ų | 138.9 | 96% | 0.958 | 77% | 0.77 | S | S | * | * | trans | -73.5 | 79.1 | 162.3 | -76.3 | 171.3 | 0 | 0 | 0 | 107.7 | S203 | L201-S203 PolarHBondContact O-N 2.76Š| ||
| 202 | F | 24.8 | Very low | 25.4 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 75% | 0.754 | 77% | 0.769 | S | S | * | * | trans | -61.8 | 113.7 | 153.7 | -83.9 | -86.3 | 0 | 0 | 0 | 108.4 | M200 | M200-F202 HydrophobicContact CB-CD2 4.2Å; M200-F202 HydrophobicContact CB-CE2 4.38Å; M200-F202 HydrophobicContact CG-CE2 4.25Å; M200-F202 PolarHBondContact O-N 3.13Å; M200-F202 HydrophobicContact SD-CD2 4.32Å; M200-F202 HydrophobicContact SD-CE2 3.75Å | ||
| 203 | S | 23.4 | Very low | 25.9 | Very low | 107 Ų | 107 | 134.6 Ų | 134.6 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 48 | 146.6 | 134.8 | -89.9 | 0 | 0 | 0 | 0 | 122.6 | L201 | L201-S203 PolarHBondContact O-N 2.76Š| ||
| 204 | P | 28.2 | Very low | 26.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | trans | -92.1 | 129.8 | -160.2 | 35.7 | -29 | 0 | 0 | 0 | 111.9 | ||||
| 205 | T | 25.8 | Very low | 27.8 | Very low | 143 Ų | 143 | 126.8 Ų | 126.8 | 88% | 0.877 | 76% | 0.756 | S | S | * | * | trans | -111.7 | 118.1 | 154.3 | 42.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 206 | H | 25.7 | Very low | 28.8 | Very low | 139 Ų | 139 | 126.6 Ų | 126.6 | 64% | 0.644 | 75% | 0.749 | S | S | * | * | trans | -23.3 | 157.7 | 157.7 | -110.8 | -98.5 | 0 | 0 | 0 | 114.4 | ||||
| 207 | P | 33 | Very low | 30 | Very low | 108 Ų | 108 | 126 Ų | 126 | 70% | 0.701 | 73% | 0.733 | S | S | * | * | -157.6 | 112.7 | 52.3 | 36.3 | -11.5 | 0 | 0 | 0 | 117.2 | |||||
| 208 | L | 25.3 | Very low | 30.9 | Very low | 163 Ų | 163 | 125 Ų | 125 | 85% | 0.853 | 73% | 0.733 | S | S | * | * | trans | -145.3 | 104 | 147.6 | -75 | -178.7 | 0 | 0 | 0 | 108.6 | Q210 | L208-Q210 PolarHBondContact O-N 3.31Š| ||
| 209 | L | 27 | Very low | 32.3 | Very low | 157 Ų | 157 | 120.4 Ų | 120.4 | 82% | 0.822 | 72% | 0.719 | S | S | * | * | trans | -62.3 | 88.7 | 166.9 | -96 | 87.6 | 0 | 0 | 0 | 108.4 | ||||
| 210 | Q | 27.1 | Very low | 33.8 | Very low | 176 Ų | 176 | 117.6 Ų | 117.6 | 82% | 0.822 | 70% | 0.697 | S | S | * | * | trans | -60.7 | 131.1 | 142.6 | -86.9 | 170.4 | -21.3 | 0 | 0 | 106.5 | L208 A212 | L208-Q210 PolarHBondContact O-N 3.31Å; Q210-A212 VanDerWaalsContact C-N 3.33Å; Q210-A212 PolarHBondContact O-N 3.31Å | ||
| 211 | C | 25.6 | Very low | 35.5 | Very low | 130 Ų | 130 | 117.9 Ų | 117.9 | 88% | 0.878 | 70% | 0.695 | S | S | * | * | trans | -48.4 | 106.8 | 164.6 | -72.7 | 0 | 0 | 0 | 0 | 106.8 | S213 | C211-S213 PolarHBondContact O-N 2.92Š| ||
| 212 | A | 28.6 | Very low | 37.7 | Very low | 80 Ų | 80 | 111.4 Ų | 111.4 | 66% | 0.661 | 67% | 0.667 | S | S | * | * | trans | -51.5 | 116.1 | 170.4 | 0 | 0 | 0 | 0 | 0 | 105.3 | Q210 S214 | Q210-A212 VanDerWaalsContact C-N 3.33Å; Q210-A212 PolarHBondContact O-N 3.31Å; A212-S214 PolarHBondContact O-N 3.28Å; A212-S214 PolarHBondContact O-OG 3.08Å | ||
| 213 | S | 30.6 | Very low | 39.8 | Very low | 120 Ų | 120 | 104.4 Ų | 104.4 | 84% | 0.839 | 64% | 0.637 | S | S | * | * | trans | -51 | 77.7 | 146.8 | 43 | 0 | 0 | 0 | 0 | 106.5 | C211 S215 | C211-S213 PolarHBondContact O-N 2.92Å; S213-S215 PolarHBondContact O-N 3.35Å | ||
| 214 | S | 39.5 | Very low | 41.9 | Very low | 60 Ų | 60 | 100.8 Ų | 100.8 | 42% | 0.42 | 61% | 0.61 | S | S | . | * | trans | -61.6 | 109.5 | 162.7 | 27.8 | 0 | 0 | 0 | 0 | 103.1 | A212 V216 | A212-S214 PolarHBondContact O-N 3.28Å; A212-S214 PolarHBondContact O-OG 3.08Å; S214-V216 PolarHBondContact O-N 2.93Å; S214-V216 VanDerWaalsContact O-N 3.07Å | ||
| 215 | S | 40.7 | Very low | 43.9 | Very low | 87 Ų | 87 | 97 Ų | 97 | 61% | 0.608 | 59% | 0.587 | S | S | * | * | trans | -39.5 | 120.7 | 152.7 | 51.2 | 0 | 0 | 0 | 0 | 106.3 | S213 N217 | S213-S215 PolarHBondContact O-N 3.35Å; S215-N217 PolarHBondContact O-N 3Å; S215-N217 PolarHBondContact O-OD1 3.45Å; S215-N217 PolarHBondContact OG-OD1 3.27Å | ||
| 216 | V | 43.4 | Very low | 46.4 | Very low | 107 Ų | 107 | 96.2 Ų | 96.2 | 65% | 0.648 | 57% | 0.568 | S | S | * | * | trans | -49.1 | 108.8 | 177.3 | -174.9 | 0 | 0 | 0 | 0 | 106.4 | S214 D220 | S214-V216 PolarHBondContact O-N 2.93Å; S214-V216 VanDerWaalsContact O-N 3.07Å; V216-D220 HydrophobicContact CG1-CB 4.43Å | ||
| 217 | N | 49.2 | Very low | 48.7 | Very low | 85 Ų | 85 | 89.7 Ų | 89.7 | 46% | 0.455 | 54% | 0.538 | S | S | . | . | trans | -77.9 | 148.2 | -168 | -81.2 | -33.3 | 0 | 0 | 0 | 108.1 | S215 A219 D220 | S215-N217 PolarHBondContact O-N 3Å; S215-N217 PolarHBondContact O-OD1 3.45Å; S215-N217 PolarHBondContact OG-OD1 3.27Å; N217-A219 HydrophobicContact CB-CB 4.38Å; N217-A219 PolarHBondContact O-N 2.79Å; N217-D220 PolarHBondContact N-OD2 3.39Å; N217-D220 VanDerWaalsContact N-OD2 3.14Å; N217-D220 WeakPolarHBondContact O-CB 3.25Å; N217-D220 PolarHBondContact O-N 3.08Å | ||
| 218 | A | 51.2 | Low | 50.6 | Low | 89 Ų | 89 | 91.7 Ų | 91.7 | 74% | 0.736 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -53.4 | -26.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F221 A222 | A218-F221 PolarHBondContact O-N 2.98Å; A218-A222 PolarHBondContact O-N 3.38Å |
| 219 | A | 55.4 | Low | 52.9 | Low | 67 Ų | 67 | 89.6 Ų | 89.6 | 55% | 0.554 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -36.9 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | N217 A222 E223 | N217-A219 HydrophobicContact CB-CB 4.38Å; N217-A219 PolarHBondContact O-N 2.79Å; A219-A222 PolarHBondContact O-N 3.16Å; A219-E223 WeakPolarHBondContact O-CB 3.37Å; A219-E223 PolarHBondContact O-N 2.81Å |
| 220 | D | 55.6 | Low | 55 | Low | 30 Ų | 30 | 83.7 Ų | 83.7 | 16% | 0.16 | 49% | 0.49 | C | S | . | . | H | α-helix | trans | -66.4 | -42.6 | 178.3 | -60.7 | -27.7 | 0 | 0 | 0 | 110.1 | V216 N217 E223 V224 | V216-D220 HydrophobicContact CG1-CB 4.43Å; N217-D220 PolarHBondContact N-OD2 3.39Å; N217-D220 VanDerWaalsContact N-OD2 3.14Å; N217-D220 WeakPolarHBondContact O-CB 3.25Å; N217-D220 PolarHBondContact O-N 3.08Å; D220-E223 PolarHBondContact O-N 2.9Å; D220-V224 VanDerWaalsContact O-CG2 3.29Å; D220-V224 WeakPolarHBondContact O-CG2 3.31Å; D220-V224 PolarHBondContact O-N 3.41Å |
| 221 | F | 61 | Low | 57 | Low | 152 Ų | 152 | 75.8 Ų | 75.8 | 67% | 0.667 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -66.6 | -40 | 177.2 | -171.1 | -93.8 | 0 | 0 | 0 | 112.3 | A218 E223 V224 S225 | A218-F221 PolarHBondContact O-N 2.98Å; F221-E223 VanDerWaalsContact C-N 3.35Å; F221-V224 PolarHBondContact O-N 3.3Å; F221-S225 WeakPolarHBondContact CE1-OG 3.07Å; F221-S225 VanDerWaalsContact O-CB 3.3Å; F221-S225 WeakPolarHBondContact O-CB 3.38Å; F221-S225 PolarHBondContact O-N 3.47Å; F221-S225 PolarHBondContact O-OG 3.49Å |
| 222 | A | 69.7 | Low | 59 | Low | 47 Ų | 47 | 74.3 Ų | 74.3 | 39% | 0.388 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | A218 A219 S225 R226 | A218-A222 PolarHBondContact O-N 3.38Å; A219-A222 PolarHBondContact O-N 3.16Å; A222-S225 PolarHBondContact O-N 3.17Å; A222-R226 WeakPolarHBondContact O-CB 3.48Å; A222-R226 PolarHBondContact O-N 3.46Å |
| 223 | E | 70.5 | Confident | 60.9 | Low | 26 Ų | 26 | 79.8 Ų | 79.8 | 12% | 0.121 | 44% | 0.436 | C | S | . | . | H | α-helix | trans | -66.5 | -46.1 | 175.4 | -174.1 | 64 | -171.6 | 0 | 0 | 111.8 | A219 D220 F221 S225 R226 I227 | A219-E223 WeakPolarHBondContact O-CB 3.37Å; A219-E223 PolarHBondContact O-N 2.81Å; D220-E223 PolarHBondContact O-N 2.9Å; F221-E223 VanDerWaalsContact C-N 3.35Å; E223-S225 VanDerWaalsContact C-N 3.3Å; E223-S225 PolarHBondContact O-N 3.47Å; E223-R226 PolarHBondContact O-N 2.91Å; E223-R226 IonicContact OE2-CZ 2.76Å; E223-R226 IonicContact OE2-NH1 3.68Å; E223-R226 PolarHBondContact OE2-NH1 3.43Å; E223-I227 HydrophobicContact CG-CD1 4Å; E223-I227 WeakPolarHBondContact O-CB 3.43Å; E223-I227 VanDerWaalsContact O-CG1 3.31Å; E223-I227 WeakPolarHBondContact O-CG1 3.28Å; E223-I227 PolarHBondContact O-N 3.16Å |
| 224 | V | 66.4 | Low | 62.7 | Low | 30 Ų | 30 | 75 Ų | 75 | 18% | 0.182 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59.9 | -42.1 | 175 | 172.2 | 0 | 0 | 0 | 0 | 111 | D220 F221 I227 R228 Y337 Y361 | D220-V224 VanDerWaalsContact O-CG2 3.29Å; D220-V224 WeakPolarHBondContact O-CG2 3.31Å; D220-V224 PolarHBondContact O-N 3.41Å; F221-V224 PolarHBondContact O-N 3.3Å; V224-I227 PolarHBondContact O-N 3.35Å; V224-R228 WeakPolarHBondContact O-CB 3.24Å; V224-R228 PolarHBondContact O-N 2.89Å; V224-Y337 WeakPolarHBondContact CG2-OH 2.82Å; V224-Y361 HydrophobicContact CG1-CD2 4.24Å; V224-Y361 HydrophobicContact CG1-CE2 4.17Å; V224-Y361 HydrophobicContact CG2-CD2 4.1Å |
| 225 | S | 71.5 | Confident | 63.9 | Low | 42 Ų | 42 | 73.1 Ų | 73.1 | 29% | 0.294 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 177.1 | -60.5 | 0 | 0 | 0 | 0 | 111.7 | F221 A222 E223 R228 L229 | F221-S225 WeakPolarHBondContact CE1-OG 3.07Å; F221-S225 VanDerWaalsContact O-CB 3.3Å; F221-S225 WeakPolarHBondContact O-CB 3.38Å; F221-S225 PolarHBondContact O-N 3.47Å; F221-S225 PolarHBondContact O-OG 3.49Å; A222-S225 PolarHBondContact O-N 3.17Å; E223-S225 VanDerWaalsContact C-N 3.3Å; E223-S225 PolarHBondContact O-N 3.47Å; S225-R228 PolarHBondContact O-N 3.33Å; S225-L229 WeakPolarHBondContact O-CG 3.25Å; S225-L229 PolarHBondContact O-N 3.23Å |
| 226 | R | 77.6 | Confident | 65.1 | Low | 125 Ų | 125 | 75 Ų | 75 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -60 | -47.8 | 174.4 | -177.4 | -171.8 | -70.1 | 102 | 3.5 | 111 | A222 E223 R228 L229 L230 | A222-R226 WeakPolarHBondContact O-CB 3.48Å; A222-R226 PolarHBondContact O-N 3.46Å; E223-R226 PolarHBondContact O-N 2.91Å; E223-R226 IonicContact OE2-CZ 2.76Å; E223-R226 IonicContact OE2-NH1 3.68Å; E223-R226 PolarHBondContact OE2-NH1 3.43Å; R226-R228 VanDerWaalsContact C-N 3.32Å; R226-R228 PolarHBondContact O-N 3.29Å; R226-L229 PolarHBondContact O-N 3.17Å; R226-L230 HydrophobicContact CG-CD1 3.95Å; R226-L230 WeakPolarHBondContact O-CB 3.15Å; R226-L230 WeakPolarHBondContact O-CD1 3.21Å; R226-L230 WeakPolarHBondContact O-CG 3.37Å; R226-L230 PolarHBondContact O-N 2.99Å |
| 227 | I | 73.3 | Confident | 66 | Low | 2 Ų | 2 | 75.7 Ų | 75.7 | 1% | 0.01 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -58.7 | -43.6 | 176.4 | -74.2 | 171 | 0 | 0 | 0 | 110.7 | E223 V224 L229 L230 I231 V333 A336 Y337 I340 | E223-I227 HydrophobicContact CG-CD1 4Å; E223-I227 WeakPolarHBondContact O-CB 3.43Å; E223-I227 VanDerWaalsContact O-CG1 3.31Å; E223-I227 WeakPolarHBondContact O-CG1 3.28Å; E223-I227 PolarHBondContact O-N 3.16Å; V224-I227 PolarHBondContact O-N 3.35Å; I227-L229 PolarHBondContact O-N 3.24Å; I227-L230 WeakPolarHBondContact O-CB 2.97Å; I227-L230 PolarHBondContact O-N 3.34Å; I227-I231 HydrophobicContact CG2-CD1 3.54Å; I227-I231 HydrophobicContact CG2-CG1 4.35Å; I227-I231 WeakPolarHBondContact O-CB 3.38Å; I227-I231 VanDerWaalsContact O-CD1 3.27Å; I227-I231 WeakPolarHBondContact O-CD1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 3.28Å; I227-I231 PolarHBondContact O-N 3.01Å; I227-V333 HydrophobicContact CG2-CG1 4.09Å; I227-A336 HydrophobicContact CG2-CB 3.36Å; I227-Y337 HydrophobicContact CD1-CD1 4.16Å; I227-Y337 HydrophobicContact CD1-CE1 3.57Å; I227-Y337 HydrophobicContact CD1-CE2 4.31Å; I227-I340 HydrophobicContact CD1-CD1 3.83Å; I227-I340 HydrophobicContact CG1-CD1 4.16Å |
| 228 | R | 74 | Confident | 67 | Low | 151 Ų | 151 | 72 Ų | 72 | 57% | 0.57 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -61.1 | -45.4 | 178.1 | -159.3 | 179.2 | -140.2 | -142.6 | 4.4 | 112.3 | V224 S225 R226 L230 I231 E232 | V224-R228 WeakPolarHBondContact O-CB 3.24Å; V224-R228 PolarHBondContact O-N 2.89Å; S225-R228 PolarHBondContact O-N 3.33Å; R226-R228 VanDerWaalsContact C-N 3.32Å; R226-R228 PolarHBondContact O-N 3.29Å; R228-L230 VanDerWaalsContact C-N 3.35Å; R228-L230 PolarHBondContact O-N 2.88Å; R228-I231 WeakPolarHBondContact O-CB 3.32Å; R228-I231 PolarHBondContact O-N 3.49Å; R228-E232 WeakPolarHBondContact O-CG 3.42Å; R228-E232 PolarHBondContact O-N 3.07Å |
| 229 | L | 73.2 | Confident | 67.6 | Low | 118 Ų | 118 | 73 Ų | 73 | 62% | 0.618 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -62.7 | -40.7 | 175.8 | -69.5 | 170.1 | 0 | 0 | 0 | 112.2 | S225 R226 I227 I231 E232 R233 | S225-L229 WeakPolarHBondContact O-CG 3.25Å; S225-L229 PolarHBondContact O-N 3.23Å; R226-L229 PolarHBondContact O-N 3.17Å; I227-L229 PolarHBondContact O-N 3.24Å; L229-I231 VanDerWaalsContact C-N 3.32Å; L229-I231 PolarHBondContact O-N 2.9Å; L229-E232 PolarHBondContact O-N 2.92Å; L229-R233 WeakPolarHBondContact O-CB 3.28Å; L229-R233 PolarHBondContact O-N 2.65Å; L229-R233 VanDerWaalsContact O-N 3.12Å |
| 230 | L | 70.9 | Confident | 67.9 | Low | 34 Ų | 34 | 75.6 Ų | 75.6 | 18% | 0.178 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61 | -41.6 | 175.8 | -74.5 | 164 | 0 | 0 | 0 | 112.2 | R226 I227 R228 S234 T264 | R226-L230 HydrophobicContact CG-CD1 3.95Å; R226-L230 WeakPolarHBondContact O-CB 3.15Å; R226-L230 WeakPolarHBondContact O-CD1 3.21Å; R226-L230 WeakPolarHBondContact O-CG 3.37Å; R226-L230 PolarHBondContact O-N 2.99Å; I227-L230 WeakPolarHBondContact O-CB 2.97Å; I227-L230 PolarHBondContact O-N 3.34Å; R228-L230 VanDerWaalsContact C-N 3.35Å; R228-L230 PolarHBondContact O-N 2.88Å; L230-S234 WeakPolarHBondContact O-CB 3.26Å; L230-S234 PolarHBondContact O-N 2.75Å; L230-S234 PolarHBondContact O-OG 3.37Å; L230-T264 HydrophobicContact CD2-CG2 4.19Å; L230-T264 VanDerWaalsContact CD2-OG1 3.24Å; L230-T264 WeakPolarHBondContact CD2-OG1 3.24Å |
| 231 | I | 69.4 | Low | 68.2 | Low | 10 Ų | 10 | 78.4 Ų | 78.4 | 5% | 0.051 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65.6 | -54 | 175.3 | -70.1 | 157.4 | 0 | 0 | 0 | 110.4 | I227 R228 L229 R233 S234 C235 P332 V333 A336 | I227-I231 HydrophobicContact CG2-CD1 3.54Å; I227-I231 HydrophobicContact CG2-CG1 4.35Å; I227-I231 WeakPolarHBondContact O-CB 3.38Å; I227-I231 VanDerWaalsContact O-CD1 3.27Å; I227-I231 WeakPolarHBondContact O-CD1 3.28Å; I227-I231 WeakPolarHBondContact O-CG1 3.28Å; I227-I231 PolarHBondContact O-N 3.01Å; R228-I231 WeakPolarHBondContact O-CB 3.32Å; R228-I231 PolarHBondContact O-N 3.49Å; L229-I231 VanDerWaalsContact C-N 3.32Å; L229-I231 PolarHBondContact O-N 2.9Å; I231-R233 VanDerWaalsContact C-N 3.28Å; I231-R233 PolarHBondContact O-N 2.72Å; I231-S234 WeakPolarHBondContact O-CA 3.37Å; I231-S234 WeakPolarHBondContact O-CB 3.06Å; I231-S234 PolarHBondContact O-N 3.08Å; I231-C235 WeakPolarHBondContact O-CB 3.36Å; I231-C235 PolarHBondContact O-N 3.07Å; I231-C235 PolarHBondContact O-SG 3.28Å; I231-P332 HydrophobicContact CB-CB 4.48Å; I231-P332 HydrophobicContact CD1-CB 3.98Å; I231-P332 WeakPolarHBondContact CD1-O 3.45Å; I231-P332 HydrophobicContact CG1-CB 4.4Å; I231-P332 HydrophobicContact CG2-CB 3.39Å; I231-P332 HydrophobicContact CG2-CG 4.39Å; I231-V333 HydrophobicContact CD1-CB 4.46Å; I231-V333 HydrophobicContact CD1-CG2 4.07Å; I231-A336 HydrophobicContact CD1-CB 3.82Å; I231-A336 HydrophobicContact CG1-CB 4.04Å |
| 232 | E | 67 | Low | 68.6 | Low | 98 Ų | 98 | 74.1 Ų | 74.1 | 46% | 0.458 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -55.5 | -44.8 | -175.4 | -78.1 | 172.9 | -172.9 | 0 | 0 | 111.2 | R228 L229 S234 H236 | R228-E232 WeakPolarHBondContact O-CG 3.42Å; R228-E232 PolarHBondContact O-N 3.07Å; L229-E232 PolarHBondContact O-N 2.92Å; E232-S234 VanDerWaalsContact C-N 3.33Å; E232-S234 PolarHBondContact O-N 3.23Å; E232-H236 WeakPolarHBondContact O-CB 3.48Å; E232-H236 PolarHBondContact O-N 2.88Å |
| 233 | R | 69.8 | Low | 68.8 | Low | 195 Ų | 195 | 73.6 Ų | 73.6 | 74% | 0.736 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -61.8 | -39.1 | 176.4 | -175.1 | 176.4 | 139.6 | 175.6 | -5.1 | 112.8 | L229 I231 Y237 | L229-R233 WeakPolarHBondContact O-CB 3.28Å; L229-R233 PolarHBondContact O-N 2.65Å; L229-R233 VanDerWaalsContact O-N 3.12Å; I231-R233 VanDerWaalsContact C-N 3.28Å; I231-R233 PolarHBondContact O-N 2.72Å; R233-Y237 PolarHBondContact O-N 2.99Å |
| 234 | S | 66.9 | Low | 68.9 | Low | 19 Ų | 19 | 78 Ų | 78 | 13% | 0.133 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -74.9 | -45.8 | -179.2 | -57.6 | 0 | 0 | 0 | 0 | 112.2 | L230 I231 E232 Y237 F238 | L230-S234 WeakPolarHBondContact O-CB 3.26Å; L230-S234 PolarHBondContact O-N 2.75Å; L230-S234 PolarHBondContact O-OG 3.37Å; I231-S234 WeakPolarHBondContact O-CA 3.37Å; I231-S234 WeakPolarHBondContact O-CB 3.06Å; I231-S234 PolarHBondContact O-N 3.08Å; E232-S234 VanDerWaalsContact C-N 3.33Å; E232-S234 PolarHBondContact O-N 3.23Å; S234-Y237 PolarHBondContact O-N 3.47Å; S234-F238 PolarHBondContact O-N 3.02Å; S234-F238 VanDerWaalsContact O-N 3.16Å |
| 235 | C | 65.3 | Low | 69.2 | Low | 21 Ų | 21 | 79.6 Ų | 79.6 | 14% | 0.142 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -65 | -44.3 | 178.7 | -69.9 | 0 | 0 | 0 | 0 | 111.4 | I231 Y237 F238 L239 F295 | I231-C235 WeakPolarHBondContact O-CB 3.36Å; I231-C235 PolarHBondContact O-N 3.07Å; I231-C235 PolarHBondContact O-SG 3.28Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.44Å; C235-F238 PolarHBondContact O-N 3.28Å; C235-L239 HydrophobicContact CB-CD1 4.47Å; C235-L239 WeakPolarHBondContact O-CB 3.42Å; C235-L239 VanDerWaalsContact O-CG 3.29Å; C235-L239 WeakPolarHBondContact O-CG 3.39Å; C235-L239 PolarHBondContact O-N 3.28Å; C235-F295 HydrophobicContact CB-CE1 4.2Å; C235-F295 HydrophobicContact CB-CZ 4.29Å; C235-F295 VanDerWaalsContact SG-CZ 3.59Å |
| 236 | H | 65.1 | Low | 69.9 | Low | 127 Ų | 127 | 84 Ų | 84 | 59% | 0.588 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 178.3 | -175 | -96.4 | 0 | 0 | 0 | 111.6 | E232 F238 L240 | E232-H236 WeakPolarHBondContact O-CB 3.48Å; E232-H236 PolarHBondContact O-N 2.88Å; H236-F238 VanDerWaalsContact C-N 3.34Å; H236-F238 PolarHBondContact O-N 3.46Å; H236-L240 WeakPolarHBondContact CE1-CD1 3.04Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 VanDerWaalsContact O-CG 3.27Å; H236-L240 WeakPolarHBondContact O-CG 3.4Å; H236-L240 PolarHBondContact O-N 3.27Å |
| 237 | Y | 63.9 | Low | 70.3 | Confident | 122 Ų | 122 | 79.6 Ų | 79.6 | 48% | 0.478 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -62.9 | -39.1 | 177.4 | -174.5 | -92 | 0 | 0 | 0 | 112.8 | R233 S234 C235 K241 | R233-Y237 PolarHBondContact O-N 2.99Å; S234-Y237 PolarHBondContact O-N 3.47Å; C235-Y237 VanDerWaalsContact C-N 3.34Å; C235-Y237 PolarHBondContact O-N 3.44Å; Y237-K241 PolarHBondContact OH-NZ 2.87Å |
| 238 | F | 68.8 | Low | 71 | Confident | 7 Ų | 7 | 83.5 Ų | 83.5 | 3% | 0.031 | 41% | 0.41 | C | S | . | . | H | α-helix | trans | -77 | -50.6 | -178.3 | -171.2 | -101.7 | 0 | 0 | 0 | 112.6 | S234 C235 H236 L240 K241 I242 N250 R253 L254 F295 | S234-F238 PolarHBondContact O-N 3.02Å; S234-F238 VanDerWaalsContact O-N 3.16Å; C235-F238 PolarHBondContact O-N 3.28Å; H236-F238 VanDerWaalsContact C-N 3.34Å; H236-F238 PolarHBondContact O-N 3.46Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 3.18Å; F238-K241 PolarHBondContact O-N 3.48Å; F238-I242 HydrophobicContact CD1-CD1 3.55Å; F238-I242 HydrophobicContact CD1-CG1 3.65Å; F238-I242 HydrophobicContact CE1-CD1 3.26Å; F238-I242 HydrophobicContact CE1-CG1 3.36Å; F238-I242 HydrophobicContact CG-CG1 4.46Å; F238-I242 HydrophobicContact CZ-CD1 4.26Å; F238-I242 HydrophobicContact CZ-CG1 3.96Å; F238-I242 WeakPolarHBondContact O-CG1 3.49Å; F238-I242 PolarHBondContact O-N 3.39Å; F238-N250 HydrophobicContact CZ-CB 4.41Å; F238-R253 HydrophobicContact CD2-CB 4.08Å; F238-R253 HydrophobicContact CE2-CB 3.7Å; F238-L254 HydrophobicContact CD1-CD2 4.29Å; F238-L254 HydrophobicContact CD2-CD2 3.66Å; F238-L254 HydrophobicContact CD2-CG 4.31Å; F238-L254 HydrophobicContact CE1-CD2 3.95Å; F238-L254 HydrophobicContact CE1-CG 4.45Å; F238-L254 HydrophobicContact CE2-CD1 4.46Å; F238-L254 HydrophobicContact CE2-CD2 3.27Å; F238-L254 HydrophobicContact CE2-CG 3.46Å; F238-L254 VanDerWaalsContact CE2-CG 3.46Å; F238-L254 HydrophobicContact CG-CD2 4.16Å; F238-L254 HydrophobicContact CZ-CD1 4.08Å; F238-L254 HydrophobicContact CZ-CD2 3.44Å; F238-L254 VanDerWaalsContact CZ-CD2 3.44Å; F238-L254 HydrophobicContact CZ-CG 3.56Å; F238-F295 HydrophobicContact CB-CE1 4.23Å; F238-F295 HydrophobicContact CB-CZ 4.25Å; F238-F295 HydrophobicContact CD1-CB 4Å; F238-F295 AromaticContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD1 3.41Å; F238-F295 VanDerWaalsContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD2 4.08Å; F238-F295 AromaticContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE2 4.43Å; F238-F295 AromaticContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CZ 4.3Å; F238-F295 HydrophobicContact CE1-CB 3.56Å; F238-F295 AromaticContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD2 4.3Å; F238-F295 AromaticContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CG-CD1 4.34Å; F238-F295 HydrophobicContact CG-CE1 4.35Å; F238-F295 HydrophobicContact CG-CG 4.44Å; F238-F295 HydrophobicContact CG-CZ 4.49Å; F238-F295 HydrophobicContact CZ-CB 4.38Å |
| 239 | L | 65.5 | Low | 71.7 | Confident | 109 Ų | 109 | 80.2 Ų | 80.2 | 57% | 0.571 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -58.7 | -36.7 | -176.5 | -72 | 173.8 | 0 | 0 | 0 | 112.5 | C235 K241 I242 | C235-L239 HydrophobicContact CB-CD1 4.47Å; C235-L239 WeakPolarHBondContact O-CB 3.42Å; C235-L239 VanDerWaalsContact O-CG 3.29Å; C235-L239 WeakPolarHBondContact O-CG 3.39Å; C235-L239 PolarHBondContact O-N 3.28Å; L239-K241 PolarHBondContact O-N 3.47Å; L239-K241 VanDerWaalsContact O-N 3.09Å; L239-I242 HydrophobicContact CD2-CD1 3.91Å |
| 240 | L | 60.4 | Low | 72.4 | Confident | 123 Ų | 123 | 75.2 Ų | 75.2 | 64% | 0.644 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -15.3 | 176.3 | -75.6 | 176.3 | 0 | 0 | 0 | 114.1 | H236 F238 | H236-L240 WeakPolarHBondContact CE1-CD1 3.04Å; H236-L240 WeakPolarHBondContact O-CB 3.48Å; H236-L240 VanDerWaalsContact O-CG 3.27Å; H236-L240 WeakPolarHBondContact O-CG 3.4Å; H236-L240 PolarHBondContact O-N 3.27Å; F238-L240 VanDerWaalsContact C-N 3.27Å; F238-L240 PolarHBondContact O-N 3.18Å |
| 241 | K | 63 | Low | 73.3 | Confident | 88 Ų | 88 | 73.6 Ų | 73.6 | 38% | 0.383 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -129.2 | 11.4 | -172.1 | -55.5 | -170.1 | -178.3 | 179 | 0 | 114.6 | Y237 F238 L239 S243 R253 | Y237-K241 PolarHBondContact OH-NZ 2.87Å; F238-K241 PolarHBondContact O-N 3.48Å; L239-K241 PolarHBondContact O-N 3.47Å; L239-K241 VanDerWaalsContact O-N 3.09Å; K241-S243 PolarHBondContact O-N 2.99Å; K241-R253 VanDerWaalsContact CB-NH1 3.29Å; K241-R253 PolarHBondContact O-NE 2.91Å |
| 242 | I | 68.7 | Low | 74.3 | Confident | 62 Ų | 62 | 75.7 Ų | 75.7 | 32% | 0.318 | 39% | 0.386 | S | S | . | . | P | Polyproline II helix | trans | -70.2 | 120.3 | 173.9 | -61.7 | 179.3 | 0 | 0 | 0 | 108.8 | F238 L239 | F238-I242 HydrophobicContact CD1-CD1 3.55Å; F238-I242 HydrophobicContact CD1-CG1 3.65Å; F238-I242 HydrophobicContact CE1-CD1 3.26Å; F238-I242 HydrophobicContact CE1-CG1 3.36Å; F238-I242 HydrophobicContact CG-CG1 4.46Å; F238-I242 HydrophobicContact CZ-CD1 4.26Å; F238-I242 HydrophobicContact CZ-CG1 3.96Å; F238-I242 WeakPolarHBondContact O-CG1 3.49Å; F238-I242 PolarHBondContact O-N 3.39Å; L239-I242 HydrophobicContact CD2-CD1 3.91Å |
| 243 | S | 73.1 | Confident | 75.2 | Confident | 37 Ų | 37 | 75 Ų | 75 | 26% | 0.259 | 38% | 0.379 | S | S | . | . | P | Polyproline II helix | trans | -98.6 | 118.1 | 167.2 | -63.9 | 0 | 0 | 0 | 0 | 108.8 | K241 R246 N250 | K241-S243 PolarHBondContact O-N 2.99Å; S243-R246 PolarHBondContact O-N 3.39Å; S243-N250 PolarHBondContact N-OD1 3.44Å; S243-N250 PolarHBondContact O-ND2 3.39Å |
| 244 | P | 72.7 | Confident | 76.3 | Confident | 118 Ų | 118 | 65.7 Ų | 65.7 | 77% | 0.766 | 34% | 0.344 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 144 | 177 | 24.4 | -31.8 | 0 | 0 | 0 | 110.5 | R246 | P244-R246 PolarHBondContact O-N 2.9Š|
| 245 | G | 74.2 | Confident | 77.4 | Confident | 64 Ų | 64 | 65.6 Ų | 65.6 | 66% | 0.66 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 76.9 | -11.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 116.1 | I247 | G245-I247 PolarHBondContact O-N 3.21Š|
| 246 | R | 84.4 | Confident | 78.5 | Confident | 135 Ų | 135 | 69.8 Ų | 69.8 | 51% | 0.509 | 36% | 0.358 | S | S | . | . | trans | -97 | 63.9 | 179.8 | -58.7 | -164.2 | -178.7 | -171.3 | 0.9 | 112.6 | S243 P244 K248 E249 N250 | S243-R246 PolarHBondContact O-N 3.39Å; P244-R246 PolarHBondContact O-N 2.9Å; R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 2.89Å; R246-E249 HydrophobicContact CB-CB 4.12Å; R246-E249 HydrophobicContact CB-CG 4.31Å; R246-E249 WeakPolarHBondContact CD-OE1 3.4Å; R246-E249 WeakPolarHBondContact CD-OE2 3.26Å; R246-E249 IonicContact CZ-OE1 2.61Å; R246-E249 IonicContact NE-OE1 3.81Å; R246-E249 IonicContact NE-OE2 2.71Å; R246-E249 IonicContact NH1-OE1 3.9Å; R246-E249 PolarHBondContact NH1-OE1 2.82Å; R246-E249 IonicContact NH1-OE2 2.95Å; R246-E249 PolarHBondContact NH1-OE2 3.36Å; R246-E249 PolarHBondContact O-N 3.37Å; R246-N250 PolarHBondContact O-N 3.19Å; R246-N250 PolarHBondContact O-ND2 3.16Å | ||
| 247 | I | 87.8 | Confident | 79.6 | Confident | 32 Ų | 32 | 64.5 Ų | 64.5 | 16% | 0.164 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.6 | -41.3 | -172.5 | -167.1 | 163.3 | 0 | 0 | 0 | 113.5 | G245 N250 A251 L297 P302 L395 | G245-I247 PolarHBondContact O-N 3.21Å; I247-N250 PolarHBondContact O-N 3.39Å; I247-A251 VanDerWaalsContact O-CB 3.26Å; I247-A251 WeakPolarHBondContact O-CB 3.47Å; I247-A251 PolarHBondContact O-N 3.03Å; I247-L297 HydrophobicContact CG1-CD1 3.98Å; I247-L297 HydrophobicContact CG1-CG 4.17Å; I247-P302 HydrophobicContact CD1-CB 3.93Å; I247-P302 HydrophobicContact CD1-CG 4.21Å; I247-L395 HydrophobicContact CD1-CD2 4.32Å; I247-L395 HydrophobicContact CG1-CD2 4.08Å |
| 248 | K | 88 | Confident | 80.9 | Confident | 83 Ų | 83 | 58.7 Ų | 58.7 | 36% | 0.361 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -68.2 | -39.3 | -179.9 | -68.6 | -176.6 | 173.3 | 179.1 | 0 | 112.7 | R246 A251 A252 D398 V399 | R246-K248 VanDerWaalsContact C-N 3.33Å; R246-K248 PolarHBondContact O-N 2.89Å; K248-A251 WeakPolarHBondContact O-CB 3.3Å; K248-A251 PolarHBondContact O-N 3.21Å; K248-A252 PolarHBondContact O-N 3.26Å; K248-D398 IonicContact NZ-OD2 2.72Å; K248-D398 PolarHBondContact NZ-OD2 2.73Å; K248-V399 HydrophobicContact CD-CG2 3.97Å |
| 249 | E | 87 | Confident | 81.9 | Confident | 83 Ų | 83 | 58.6 Ų | 58.6 | 39% | 0.388 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 175.1 | -68.2 | -177.7 | -169.5 | 0 | 0 | 111.4 | R246 A251 A252 R253 | R246-E249 HydrophobicContact CB-CB 4.12Å; R246-E249 HydrophobicContact CB-CG 4.31Å; R246-E249 WeakPolarHBondContact CD-OE1 3.4Å; R246-E249 WeakPolarHBondContact CD-OE2 3.26Å; R246-E249 IonicContact CZ-OE1 2.61Å; R246-E249 IonicContact NE-OE1 3.81Å; R246-E249 IonicContact NE-OE2 2.71Å; R246-E249 IonicContact NH1-OE1 3.9Å; R246-E249 PolarHBondContact NH1-OE1 2.82Å; R246-E249 IonicContact NH1-OE2 2.95Å; R246-E249 PolarHBondContact NH1-OE2 3.36Å; R246-E249 PolarHBondContact O-N 3.37Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 2.98Å; E249-A252 PolarHBondContact O-N 3.4Å; E249-R253 WeakPolarHBondContact O-CG 3.48Å; E249-R253 PolarHBondContact O-N 2.95Å; E249-R253 VanDerWaalsContact O-N 3.09Å |
| 250 | N | 88.4 | Confident | 82.9 | Confident | 13 Ų | 13 | 55.1 Ų | 55.1 | 7% | 0.07 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -63.8 | -38.7 | 176.2 | -66 | -26.2 | 0 | 0 | 0 | 111.1 | F238 S243 R246 I247 R253 L254 L297 | F238-N250 HydrophobicContact CZ-CB 4.41Å; S243-N250 PolarHBondContact N-OD1 3.44Å; S243-N250 PolarHBondContact O-ND2 3.39Å; R246-N250 PolarHBondContact O-N 3.19Å; R246-N250 PolarHBondContact O-ND2 3.16Å; I247-N250 PolarHBondContact O-N 3.39Å; N250-R253 PolarHBondContact O-N 2.84Å; N250-L254 WeakPolarHBondContact O-CG 3.38Å; N250-L254 PolarHBondContact O-N 3.41Å; N250-L297 HydrophobicContact CB-CD1 3.68Å |
| 251 | A | 90.9 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.9 | -43.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112 | I247 K248 E249 R253 L254 L255 F288 L297 L395 F396 | I247-A251 VanDerWaalsContact O-CB 3.26Å; I247-A251 WeakPolarHBondContact O-CB 3.47Å; I247-A251 PolarHBondContact O-N 3.03Å; K248-A251 WeakPolarHBondContact O-CB 3.3Å; K248-A251 PolarHBondContact O-N 3.21Å; E249-A251 VanDerWaalsContact C-N 3.31Å; E249-A251 PolarHBondContact O-N 2.98Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 3.25Å; A251-L254 PolarHBondContact O-N 3.23Å; A251-L255 WeakPolarHBondContact O-CB 3.25Å; A251-L255 PolarHBondContact O-N 3.06Å; A251-F288 HydrophobicContact CB-CZ 4.09Å; A251-F288 WeakPolarHBondContact O-CE2 3.25Å; A251-L297 HydrophobicContact CB-CD2 4.15Å; A251-L395 HydrophobicContact CB-CB 4.22Å; A251-L395 HydrophobicContact CB-CD1 3.89Å; A251-L395 HydrophobicContact CB-CD2 4.28Å; A251-L395 HydrophobicContact CB-CG 4.36Å; A251-F396 HydrophobicContact CB-CE1 4.01Å; A251-F396 HydrophobicContact CB-CZ 3.88Å |
| 252 | A | 89.2 | Confident | 85.5 | Confident | 54 Ų | 54 | 45.5 Ų | 45.5 | 45% | 0.446 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.6 | -40.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K248 E249 L255 F256 | K248-A252 PolarHBondContact O-N 3.26Å; E249-A252 PolarHBondContact O-N 3.4Å; A252-L255 PolarHBondContact O-N 2.74Å; A252-F256 PolarHBondContact O-N 2.86Å |
| 253 | R | 87 | Confident | 86.5 | Confident | 83 Ų | 83 | 47.3 Ų | 47.3 | 31% | 0.313 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -63.7 | -41.9 | 174.1 | -67.2 | 174 | -170.7 | -79.2 | 3.9 | 112.2 | F238 K241 E249 N250 A251 L255 F256 L257 | F238-R253 HydrophobicContact CD2-CB 4.08Å; F238-R253 HydrophobicContact CE2-CB 3.7Å; K241-R253 VanDerWaalsContact CB-NH1 3.29Å; K241-R253 PolarHBondContact O-NE 2.91Å; E249-R253 WeakPolarHBondContact O-CG 3.48Å; E249-R253 PolarHBondContact O-N 2.95Å; E249-R253 VanDerWaalsContact O-N 3.09Å; N250-R253 PolarHBondContact O-N 2.84Å; A251-R253 VanDerWaalsContact C-N 3.33Å; A251-R253 PolarHBondContact O-N 3.25Å; R253-L255 VanDerWaalsContact C-N 3.34Å; R253-F256 WeakPolarHBondContact O-CB 3.46Å; R253-F256 PolarHBondContact O-N 3.36Å; R253-L257 PolarHBondContact O-N 3.1Å |
| 254 | L | 91.1 | Very high | 87 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 175.5 | -70.8 | -178.5 | 0 | 0 | 0 | 111.9 | F238 N250 A251 F256 L257 T258 F288 L291 F295 L297 | F238-L254 HydrophobicContact CD1-CD2 4.29Å; F238-L254 HydrophobicContact CD2-CD2 3.66Å; F238-L254 HydrophobicContact CD2-CG 4.31Å; F238-L254 HydrophobicContact CE1-CD2 3.95Å; F238-L254 HydrophobicContact CE1-CG 4.45Å; F238-L254 HydrophobicContact CE2-CD1 4.46Å; F238-L254 HydrophobicContact CE2-CD2 3.27Å; F238-L254 HydrophobicContact CE2-CG 3.46Å; F238-L254 VanDerWaalsContact CE2-CG 3.46Å; F238-L254 HydrophobicContact CG-CD2 4.16Å; F238-L254 HydrophobicContact CZ-CD1 4.08Å; F238-L254 HydrophobicContact CZ-CD2 3.44Å; F238-L254 VanDerWaalsContact CZ-CD2 3.44Å; F238-L254 HydrophobicContact CZ-CG 3.56Å; N250-L254 WeakPolarHBondContact O-CG 3.38Å; N250-L254 PolarHBondContact O-N 3.41Å; A251-L254 PolarHBondContact O-N 3.23Å; L254-F256 VanDerWaalsContact C-N 3.33Å; L254-L257 CarbonylContact O-C 3.57Å; L254-L257 WeakPolarHBondContact O-CB 3.49Å; L254-L257 PolarHBondContact O-N 3.28Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L254-T258 PolarHBondContact O-N 3.47Å; L254-T258 PolarHBondContact O-OG1 3.03Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; L254-F288 HydrophobicContact CB-CD2 4.28Å; L254-F288 HydrophobicContact CB-CE2 3.74Å; L254-F288 HydrophobicContact CB-CZ 4.46Å; L254-L291 HydrophobicContact CD2-CB 4.28Å; L254-F295 HydrophobicContact CD2-CB 4.41Å; L254-F295 HydrophobicContact CD2-CD2 3.57Å; L254-F295 HydrophobicContact CD2-CE2 4.19Å; L254-F295 HydrophobicContact CD2-CG 4.25Å; L254-L297 HydrophobicContact CD1-CB 4.01Å; L254-L297 HydrophobicContact CD1-CD1 4.21Å; L254-L297 HydrophobicContact CD1-CD2 4.05Å; L254-L297 HydrophobicContact CD1-CG 4.3Å |
| 255 | L | 90.6 | Very high | 87.8 | Confident | 16 Ų | 16 | 42.2 Ų | 42.2 | 8% | 0.084 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63 | -42.1 | 174.3 | -174.8 | 64.4 | 0 | 0 | 0 | 111 | A251 A252 R253 L257 T258 T259 W284 F288 F396 M405 L408 V409 | A251-L255 WeakPolarHBondContact O-CB 3.25Å; A251-L255 PolarHBondContact O-N 3.06Å; A252-L255 PolarHBondContact O-N 2.74Å; R253-L255 VanDerWaalsContact C-N 3.34Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.97Å; L255-T258 WeakPolarHBondContact O-CB 3.4Å; L255-T258 PolarHBondContact O-N 3.18Å; L255-T259 WeakPolarHBondContact O-CG2 3.46Å; L255-T259 PolarHBondContact O-N 3.13Å; L255-T259 VanDerWaalsContact O-N 3.15Å; L255-W284 HydrophobicContact CD1-CE3 4.06Å; L255-W284 HydrophobicContact CD1-CZ3 4.18Å; L255-F288 HydrophobicContact CB-CD2 4.41Å; L255-F288 HydrophobicContact CB-CE2 4.22Å; L255-F288 HydrophobicContact CD1-CD2 4.4Å; L255-F396 HydrophobicContact CB-CE1 4.36Å; L255-F396 HydrophobicContact CB-CZ 4.04Å; L255-F396 HydrophobicContact CD2-CD1 4.41Å; L255-F396 HydrophobicContact CD2-CE1 3.94Å; L255-F396 HydrophobicContact CD2-CZ 4.04Å; L255-F396 HydrophobicContact CG-CZ 4.45Å; L255-M405 HydrophobicContact CD2-SD 4.05Å; L255-L408 HydrophobicContact CD2-CD2 4.41Å; L255-V409 HydrophobicContact CD1-CG2 3.81Å |
| 256 | F | 88.7 | Confident | 88.4 | Confident | 110 Ų | 110 | 44.7 Ų | 44.7 | 48% | 0.482 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.2 | -44.6 | 171.5 | -177.4 | -99.1 | 0 | 0 | 0 | 111.3 | A252 R253 L254 T258 T259 S260 | A252-F256 PolarHBondContact O-N 2.86Å; R253-F256 WeakPolarHBondContact O-CB 3.46Å; R253-F256 PolarHBondContact O-N 3.36Å; L254-F256 VanDerWaalsContact C-N 3.33Å; F256-T258 VanDerWaalsContact C-N 3.34Å; F256-T258 PolarHBondContact O-N 3.33Å; F256-T259 CarbonylContact O-C 3.28Å; F256-T259 PolarHBondContact O-N 2.81Å; F256-T259 PolarHBondContact O-OG1 3.42Å; F256-S260 PolarHBondContact O-N 3.48Å; F256-S260 PolarHBondContact O-OG 3.44Å |
| 257 | L | 88.3 | Confident | 88.6 | Confident | 15 Ų | 15 | 40.4 Ų | 40.4 | 8% | 0.079 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 176.4 | -174.8 | 58.7 | 0 | 0 | 0 | 112.7 | R253 L254 L255 T259 S260 W261 L291 F295 | R253-L257 PolarHBondContact O-N 3.1Å; L254-L257 CarbonylContact O-C 3.57Å; L254-L257 WeakPolarHBondContact O-CB 3.49Å; L254-L257 PolarHBondContact O-N 3.28Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L255-L257 VanDerWaalsContact C-N 3.32Å; L255-L257 PolarHBondContact O-N 2.97Å; L257-T259 PolarHBondContact O-N 3.32Å; L257-S260 PolarHBondContact O-N 3.48Å; L257-W261 HydrophobicContact CD1-CB 4.14Å; L257-W261 WeakPolarHBondContact O-CB 3.39Å; L257-W261 PolarHBondContact O-N 2.92Å; L257-L291 HydrophobicContact CB-CD1 4.24Å; L257-L291 HydrophobicContact CD2-CD1 4.3Å; L257-L291 HydrophobicContact CD2-CD2 3.75Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; L257-L291 HydrophobicContact CG-CD2 4.21Å; L257-F295 HydrophobicContact CD2-CE2 4Å |
| 258 | T | 91.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.006 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -56.1 | -35.3 | 172 | -61.1 | 0 | 0 | 0 | 0 | 111.7 | L254 L255 F256 P262 W284 L287 L291 | L254-T258 PolarHBondContact O-N 3.47Å; L254-T258 PolarHBondContact O-OG1 3.03Å; L254-T258 VanDerWaalsContact O-OG1 3.07Å; L255-T258 WeakPolarHBondContact O-CB 3.4Å; L255-T258 PolarHBondContact O-N 3.18Å; F256-T258 VanDerWaalsContact C-N 3.34Å; F256-T258 PolarHBondContact O-N 3.33Å; T258-P262 WeakPolarHBondContact O-CD 3.39Å; T258-P262 VanDerWaalsContact O-CG 3.29Å; T258-P262 WeakPolarHBondContact O-CG 3.16Å; T258-W284 HydrophobicContact CG2-CB 4.32Å; T258-L287 HydrophobicContact CG2-CB 3.86Å; T258-L287 HydrophobicContact CG2-CD1 4.32Å; T258-L291 WeakPolarHBondContact OG1-CD1 2.95Å |
| 259 | T | 89.4 | Confident | 88.8 | Confident | 5 Ų | 5 | 37.8 Ų | 37.8 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -84.3 | -33.1 | 177.7 | 67.1 | 0 | 0 | 0 | 0 | 113.3 | L255 F256 L257 V409 V412 Y413 | L255-T259 WeakPolarHBondContact O-CG2 3.46Å; L255-T259 PolarHBondContact O-N 3.13Å; L255-T259 VanDerWaalsContact O-N 3.15Å; F256-T259 CarbonylContact O-C 3.28Å; F256-T259 PolarHBondContact O-N 2.81Å; F256-T259 PolarHBondContact O-OG1 3.42Å; L257-T259 PolarHBondContact O-N 3.32Å; T259-V409 HydrophobicContact CG2-CB 4.21Å; T259-V409 HydrophobicContact CG2-CG1 3.88Å; T259-V409 HydrophobicContact CG2-CG2 4.27Å; T259-V412 HydrophobicContact CG2-CB 4.08Å; T259-V412 HydrophobicContact CG2-CG1 4Å; T259-V412 WeakPolarHBondContact OG1-CG1 3.44Å; T259-Y413 WeakPolarHBondContact O-CD2 3.35Å |
| 260 | S | 86.3 | Confident | 89 | Confident | 36 Ų | 36 | 39.5 Ų | 39.5 | 25% | 0.252 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -88 | -33 | -174.8 | 66.6 | 0 | 0 | 0 | 0 | 113.2 | F256 L257 K263 | F256-S260 PolarHBondContact O-N 3.48Å; F256-S260 PolarHBondContact O-OG 3.44Å; L257-S260 PolarHBondContact O-N 3.48Å; S260-K263 WeakPolarHBondContact O-CB 3.48Å; S260-K263 PolarHBondContact O-N 3.31Å |
| 261 | W | 87.6 | Confident | 89.1 | Confident | 8 Ų | 8 | 39.7 Ų | 39.7 | 3% | 0.03 | 20% | 0.201 | C | C | . | . | G | 310 helix | trans | -62.1 | -40.5 | -176.1 | -172 | 84.3 | 0 | 0 | 0 | 113.8 | L257 K263 T264 V265 K339 I340 L343 | L257-W261 HydrophobicContact CD1-CB 4.14Å; L257-W261 WeakPolarHBondContact O-CB 3.39Å; L257-W261 PolarHBondContact O-N 2.92Å; W261-K263 PolarHBondContact O-N 2.89Å; W261-K263 VanDerWaalsContact O-N 3.13Å; W261-T264 WeakPolarHBondContact O-CB 3.4Å; W261-T264 PolarHBondContact O-N 3.3Å; W261-T264 PolarHBondContact O-OG1 3.17Å; W261-V265 HydrophobicContact CE3-CG2 4.22Å; W261-V265 HydrophobicContact CH2-CG2 3.72Å; W261-V265 HydrophobicContact CZ2-CG2 4.09Å; W261-V265 HydrophobicContact CZ3-CG2 3.79Å; W261-K339 HydrophobicContact CE3-CB 4.33Å; W261-K339 HydrophobicContact CH2-CB 3.54Å; W261-K339 HydrophobicContact CZ2-CB 4.31Å; W261-K339 HydrophobicContact CZ3-CB 3.54Å; W261-I340 HydrophobicContact CH2-CG1 3.81Å; W261-L343 HydrophobicContact CE3-CD1 3.82Å; W261-L343 HydrophobicContact CH2-CD1 4.43Å; W261-L343 HydrophobicContact CZ3-CD1 3.39Å; W261-L343 HydrophobicContact CZ3-CG 4.21Å |
| 262 | P | 91 | Very high | 89.3 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | G | 310 helix | trans | -59.2 | -28.8 | 179.7 | -23.7 | 34.3 | 0 | 0 | 0 | 114 | T258 T264 V265 F268 L280 L287 L343 Y413 | T258-P262 WeakPolarHBondContact O-CD 3.39Å; T258-P262 VanDerWaalsContact O-CG 3.29Å; T258-P262 WeakPolarHBondContact O-CG 3.16Å; P262-T264 PolarHBondContact O-N 2.75Å; P262-V265 PolarHBondContact O-N 3.24Å; P262-V265 VanDerWaalsContact O-N 3.13Å; P262-F268 HydrophobicContact CB-CD1 3.61Å; P262-F268 HydrophobicContact CB-CE1 3.53Å; P262-F268 HydrophobicContact CB-CG 4.43Å; P262-F268 HydrophobicContact CB-CZ 4.31Å; P262-F268 WeakPolarHBondContact O-CD1 3.36Å; P262-L280 HydrophobicContact CB-CD2 4.24Å; P262-L280 HydrophobicContact CG-CD2 3.76Å; P262-L287 HydrophobicContact CG-CD1 4.45Å; P262-L343 HydrophobicContact CB-CD1 3.78Å; P262-L343 HydrophobicContact CB-CD2 3.82Å; P262-L343 HydrophobicContact CB-CG 4.49Å; P262-L343 HydrophobicContact CG-CD1 4.18Å; P262-L343 HydrophobicContact CG-CD2 3.86Å; P262-Y413 HydrophobicContact CB-CE2 4.01Å |
| 263 | K | 88.8 | Confident | 89.5 | Confident | 101 Ų | 101 | 46.7 Ų | 46.7 | 44% | 0.439 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -62.6 | -14.9 | 175.2 | -59.5 | -174.1 | 176.8 | -177.4 | 0 | 113.7 | S260 W261 Y413 | S260-K263 WeakPolarHBondContact O-CB 3.48Å; S260-K263 PolarHBondContact O-N 3.31Å; W261-K263 PolarHBondContact O-N 2.89Å; W261-K263 VanDerWaalsContact O-N 3.13Å; K263-Y413 HydrophobicContact CD-CE2 4.27Å; K263-Y413 WeakPolarHBondContact CE-O 3.46Å; K263-Y413 HydrophobicContact CG-CD2 4.08Å; K263-Y413 HydrophobicContact CG-CE2 3.35Å; K263-Y413 PolarHBondContact NZ-O 3.12Å |
| 264 | T | 85.1 | Confident | 89.8 | Confident | 42 Ų | 42 | 46.3 Ų | 46.3 | 26% | 0.258 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -96.5 | -8.6 | -177.4 | 73.3 | 0 | 0 | 0 | 0 | 112.9 | L230 W261 P262 | L230-T264 HydrophobicContact CD2-CG2 4.19Å; L230-T264 VanDerWaalsContact CD2-OG1 3.24Å; L230-T264 WeakPolarHBondContact CD2-OG1 3.24Å; W261-T264 WeakPolarHBondContact O-CB 3.4Å; W261-T264 PolarHBondContact O-N 3.3Å; W261-T264 PolarHBondContact O-OG1 3.17Å; P262-T264 PolarHBondContact O-N 2.75Å |
| 265 | V | 88.2 | Confident | 89.9 | Confident | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.03 | 26% | 0.261 | C | S | . | . | trans | -97.5 | 106.1 | 178.3 | -179.4 | 0 | 0 | 0 | 0 | 108.7 | W261 P262 Q267 F268 T269 L343 | W261-V265 HydrophobicContact CE3-CG2 4.22Å; W261-V265 HydrophobicContact CH2-CG2 3.72Å; W261-V265 HydrophobicContact CZ2-CG2 4.09Å; W261-V265 HydrophobicContact CZ3-CG2 3.79Å; P262-V265 PolarHBondContact O-N 3.24Å; P262-V265 VanDerWaalsContact O-N 3.13Å; V265-Q267 VanDerWaalsContact C-N 3.35Å; V265-Q267 PolarHBondContact O-N 3.36Å; V265-F268 HydrophobicContact CB-CB 4.07Å; V265-F268 HydrophobicContact CG1-CB 4.08Å; V265-F268 WeakPolarHBondContact O-CB 3.43Å; V265-F268 PolarHBondContact O-N 2.9Å; V265-T269 PolarHBondContact O-N 2.87Å; V265-T269 VanDerWaalsContact O-N 3.12Å; V265-L343 HydrophobicContact CB-CD1 4.25Å; V265-L343 HydrophobicContact CG2-CD1 3.98Å | ||
| 266 | H | 86.4 | Confident | 90.1 | Very high | 117 Ų | 117 | 49.6 Ų | 49.6 | 54% | 0.542 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -54.4 | -47.8 | -173.8 | -177.1 | -92.2 | 0 | 0 | 0 | 113.2 | F268 T269 E270 | H266-F268 PolarHBondContact O-N 3.24Å; H266-F268 VanDerWaalsContact O-N 3.16Å; H266-T269 WeakPolarHBondContact CA-OG1 3.5Å; H266-T269 PolarHBondContact O-N 3.42Å; H266-T269 PolarHBondContact O-OG1 2.97Å; H266-E270 IonicContact CE1-OE1 3.76Å; H266-E270 PolarHBondContact CE1-OE1 3.07Å; H266-E270 IonicContact CE1-OE2 2.65Å; H266-E270 VanDerWaalsContact ND1-CD 3.34Å; H266-E270 IonicContact ND1-OE1 3.97Å; H266-E270 IonicContact ND1-OE2 2.9Å; H266-E270 PolarHBondContact ND1-OE2 3.42Å; H266-E270 IonicContact NE2-OE1 2.92Å; H266-E270 WeakPolarHBondContact O-CG 3.47Å; H266-E270 PolarHBondContact O-N 3.28Å |
| 267 | Q | 88.8 | Confident | 90.3 | Very high | 44 Ų | 44 | 45.8 Ų | 45.8 | 21% | 0.206 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.2 | -28.1 | -179 | -57 | 88.4 | -20.4 | 0 | 0 | 112.2 | V265 L344 | V265-Q267 VanDerWaalsContact C-N 3.35Å; V265-Q267 PolarHBondContact O-N 3.36Å; Q267-L344 HydrophobicContact CB-CD1 4.03Å; Q267-L344 HydrophobicContact CB-CD2 4.02Å |
| 268 | F | 90.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -77.8 | -39.5 | 174.9 | -178.5 | -101.6 | 0 | 0 | 0 | 111.5 | P262 V265 H266 E270 L271 Q276 I279 L280 L343 L344 Y413 | P262-F268 HydrophobicContact CB-CD1 3.61Å; P262-F268 HydrophobicContact CB-CE1 3.53Å; P262-F268 HydrophobicContact CB-CG 4.43Å; P262-F268 HydrophobicContact CB-CZ 4.31Å; P262-F268 WeakPolarHBondContact O-CD1 3.36Å; V265-F268 HydrophobicContact CB-CB 4.07Å; V265-F268 HydrophobicContact CG1-CB 4.08Å; V265-F268 WeakPolarHBondContact O-CB 3.43Å; V265-F268 PolarHBondContact O-N 2.9Å; H266-F268 PolarHBondContact O-N 3.24Å; H266-F268 VanDerWaalsContact O-N 3.16Å; F268-E270 VanDerWaalsContact C-N 3.25Å; F268-E270 PolarHBondContact O-N 3.13Å; F268-L271 HydrophobicContact CD2-CD1 3.96Å; F268-L271 HydrophobicContact CE2-CD1 4.38Å; F268-L271 WeakPolarHBondContact O-CB 3.5Å; F268-L271 WeakPolarHBondContact O-CG 3.48Å; F268-L271 PolarHBondContact O-N 3.28Å; F268-Q276 HydrophobicContact CD1-CG 4.43Å; F268-Q276 HydrophobicContact CE1-CB 4.07Å; F268-Q276 HydrophobicContact CE1-CG 3.91Å; F268-Q276 HydrophobicContact CE2-CB 4.38Å; F268-Q276 HydrophobicContact CE2-CG 4.27Å; F268-Q276 HydrophobicContact CZ-CB 3.69Å; F268-Q276 HydrophobicContact CZ-CG 3.81Å; F268-Q276 PolarHBondContact O-NE2 3.14Å; F268-I279 HydrophobicContact CE2-CB 4.16Å; F268-I279 HydrophobicContact CE2-CD1 4.13Å; F268-I279 HydrophobicContact CE2-CG2 4.02Å; F268-L280 HydrophobicContact CE1-CD1 4.24Å; F268-L280 HydrophobicContact CE1-CG 4.47Å; F268-L280 HydrophobicContact CZ-CD1 4.01Å; F268-L280 HydrophobicContact CZ-CD2 4.16Å; F268-L280 HydrophobicContact CZ-CG 3.84Å; F268-L343 HydrophobicContact CB-CD1 4.36Å; F268-L343 HydrophobicContact CD2-CB 3.88Å; F268-L343 HydrophobicContact CD2-CD1 4.47Å; F268-L343 HydrophobicContact CD2-CD2 3.98Å; F268-L343 HydrophobicContact CD2-CG 4.35Å; F268-L343 HydrophobicContact CE2-CB 4.46Å; F268-L343 HydrophobicContact CE2-CD2 3.88Å; F268-L343 HydrophobicContact CG-CB 4.38Å; F268-L343 HydrophobicContact CG-CD1 4.23Å; F268-L343 HydrophobicContact CG-CD2 4.37Å; F268-L343 HydrophobicContact CZ-CD2 4.19Å; F268-L344 HydrophobicContact CB-CD2 4.29Å; F268-Y413 HydrophobicContact CE1-CE2 4.11Å; F268-Y413 AromaticContact CE1-CZ 3.84Å; F268-Y413 WeakPolarHBondContact CE1-OH 3.43Å |
| 269 | T | 90.9 | Very high | 90.7 | Very high | 61 Ų | 61 | 51 Ų | 51 | 37% | 0.374 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -69.1 | -21.3 | 178.5 | 56 | 0 | 0 | 0 | 0 | 113.8 | V265 H266 L271 Q276 | V265-T269 PolarHBondContact O-N 2.87Å; V265-T269 VanDerWaalsContact O-N 3.12Å; H266-T269 WeakPolarHBondContact CA-OG1 3.5Å; H266-T269 PolarHBondContact O-N 3.42Å; H266-T269 PolarHBondContact O-OG1 2.97Å; T269-L271 VanDerWaalsContact C-N 3.31Å; T269-Q276 PolarHBondContact O-NE2 3.26Å |
| 270 | E | 90.6 | Very high | 90.9 | Very high | 119 Ų | 119 | 50.8 Ų | 50.8 | 56% | 0.556 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.6 | -17.1 | 173.6 | -72 | 179.2 | 131.5 | 0 | 0 | 113.6 | H266 F268 | H266-E270 IonicContact CE1-OE1 3.76Å; H266-E270 PolarHBondContact CE1-OE1 3.07Å; H266-E270 IonicContact CE1-OE2 2.65Å; H266-E270 VanDerWaalsContact ND1-CD 3.34Å; H266-E270 IonicContact ND1-OE1 3.97Å; H266-E270 IonicContact ND1-OE2 2.9Å; H266-E270 PolarHBondContact ND1-OE2 3.42Å; H266-E270 IonicContact NE2-OE1 2.92Å; H266-E270 WeakPolarHBondContact O-CG 3.47Å; H266-E270 PolarHBondContact O-N 3.28Å; F268-E270 VanDerWaalsContact C-N 3.25Å; F268-E270 PolarHBondContact O-N 3.13Å |
| 271 | L | 90.9 | Very high | 91.3 | Very high | 17 Ų | 17 | 49.9 Ų | 49.9 | 9% | 0.089 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -69.3 | 154.4 | 176.5 | -57 | 178.7 | 0 | 0 | 0 | 110.6 | F268 T269 Q275 Q276 I279 E347 | F268-L271 HydrophobicContact CD2-CD1 3.96Å; F268-L271 HydrophobicContact CE2-CD1 4.38Å; F268-L271 WeakPolarHBondContact O-CB 3.5Å; F268-L271 WeakPolarHBondContact O-CG 3.48Å; F268-L271 PolarHBondContact O-N 3.28Å; T269-L271 VanDerWaalsContact C-N 3.31Å; L271-Q275 HydrophobicContact CB-CB 4.08Å; L271-Q276 HydrophobicContact CB-CG 4.02Å; L271-Q276 PolarHBondContact O-NE2 3.05Å; L271-I279 HydrophobicContact CD1-CD1 3.8Å; L271-E347 HydrophobicContact CD2-CG 3.95Å |
| 272 | S | 93.5 | Very high | 91.6 | Very high | 57 Ų | 57 | 52.4 Ų | 52.4 | 40% | 0.399 | 29% | 0.291 | S | S | . | . | trans | -60.1 | 150.1 | 173.2 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | A274 Q275 Q276 | S272-A274 PolarHBondContact O-N 3.46Å; S272-A274 VanDerWaalsContact O-N 3.13Å; S272-Q275 WeakPolarHBondContact O-CB 3.42Å; S272-Q275 PolarHBondContact O-N 3.11Å; S272-Q275 VanDerWaalsContact OG-CG 3.28Å; S272-Q275 WeakPolarHBondContact OG-CG 3.43Å; S272-Q275 PolarHBondContact OG-N 3.02Å; S272-Q275 PolarHBondContact OG-OE1 2.99Å; S272-Q276 WeakPolarHBondContact O-CG 3.43Å; S272-Q276 PolarHBondContact O-N 2.93Å | ||
| 273 | E | 94 | Very high | 91.8 | Very high | 143 Ų | 143 | 54.5 Ų | 54.5 | 67% | 0.668 | 30% | 0.299 | S | S | * | . | H | α-helix | trans | -55.2 | -34.7 | 177.3 | -66.5 | -171.8 | 165.9 | 0 | 0 | 112.1 | Q276 A277 F414 | E273-Q276 PolarHBondContact O-N 3.04Å; E273-A277 VanDerWaalsContact O-CB 3.26Å; E273-A277 WeakPolarHBondContact O-CB 3.23Å; E273-A277 PolarHBondContact O-N 3.44Å; E273-F414 HydrophobicContact CB-CE1 4.07Å; E273-F414 HydrophobicContact CB-CZ 4.44Å; E273-F414 HydrophobicContact CG-CE1 4.16Å |
| 274 | A | 93.7 | Very high | 92.1 | Very high | 75 Ų | 75 | 49.8 Ų | 49.8 | 62% | 0.62 | 28% | 0.278 | S | S | * | . | H | α-helix | trans | -64.2 | -41.6 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S272 N278 | S272-A274 PolarHBondContact O-N 3.46Å; S272-A274 VanDerWaalsContact O-N 3.13Å; A274-N278 VanDerWaalsContact O-CB 3.3Å; A274-N278 WeakPolarHBondContact O-CB 3.31Å; A274-N278 PolarHBondContact O-N 3.16Å |
| 275 | Q | 93.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 48.6 Ų | 48.6 | 33% | 0.332 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -66.9 | -45.8 | 174.5 | -75.4 | 165.8 | -60.4 | 0 | 0 | 111 | L271 S272 A277 N278 I279 E347 | L271-Q275 HydrophobicContact CB-CB 4.08Å; S272-Q275 WeakPolarHBondContact O-CB 3.42Å; S272-Q275 PolarHBondContact O-N 3.11Å; S272-Q275 VanDerWaalsContact OG-CG 3.28Å; S272-Q275 WeakPolarHBondContact OG-CG 3.43Å; S272-Q275 PolarHBondContact OG-N 3.02Å; S272-Q275 PolarHBondContact OG-OE1 2.99Å; Q275-A277 PolarHBondContact O-N 3.2Å; Q275-N278 PolarHBondContact O-N 3.14Å; Q275-I279 WeakPolarHBondContact O-CD1 3.26Å; Q275-I279 VanDerWaalsContact O-CG1 3.27Å; Q275-I279 WeakPolarHBondContact O-CG1 3.42Å; Q275-I279 PolarHBondContact O-N 3.49Å; Q275-E347 PolarHBondContact NE2-OE1 3.12Å; Q275-E347 VanDerWaalsContact NE2-OE1 3.13Å |
| 276 | Q | 94 | Very high | 93.2 | Very high | 15 Ų | 15 | 48.7 Ų | 48.7 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.6 | -48.5 | 177.4 | -65.6 | -178.1 | 33.3 | 0 | 0 | 111 | F268 T269 L271 S272 E273 N278 I279 L280 Y413 F414 | F268-Q276 HydrophobicContact CD1-CG 4.43Å; F268-Q276 HydrophobicContact CE1-CB 4.07Å; F268-Q276 HydrophobicContact CE1-CG 3.91Å; F268-Q276 HydrophobicContact CE2-CB 4.38Å; F268-Q276 HydrophobicContact CE2-CG 4.27Å; F268-Q276 HydrophobicContact CZ-CB 3.69Å; F268-Q276 HydrophobicContact CZ-CG 3.81Å; F268-Q276 PolarHBondContact O-NE2 3.14Å; T269-Q276 PolarHBondContact O-NE2 3.26Å; L271-Q276 HydrophobicContact CB-CG 4.02Å; L271-Q276 PolarHBondContact O-NE2 3.05Å; S272-Q276 WeakPolarHBondContact O-CG 3.43Å; S272-Q276 PolarHBondContact O-N 2.93Å; E273-Q276 PolarHBondContact O-N 3.04Å; Q276-N278 PolarHBondContact O-N 3.39Å; Q276-I279 PolarHBondContact O-N 3.32Å; Q276-L280 WeakPolarHBondContact O-CB 3.37Å; Q276-L280 WeakPolarHBondContact O-CG 3.26Å; Q276-L280 PolarHBondContact O-N 3.31Å; Q276-Y413 PolarHBondContact OE1-OH 2.73Å; Q276-F414 HydrophobicContact CB-CZ 4.09Å |
| 277 | A | 93.8 | Very high | 93.6 | Very high | 30 Ų | 30 | 43.2 Ų | 43.2 | 25% | 0.248 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.6 | -41.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E273 Q275 G281 C410 F414 | E273-A277 VanDerWaalsContact O-CB 3.26Å; E273-A277 WeakPolarHBondContact O-CB 3.23Å; E273-A277 PolarHBondContact O-N 3.44Å; Q275-A277 PolarHBondContact O-N 3.2Å; A277-G281 WeakPolarHBondContact O-CA 3.2Å; A277-G281 PolarHBondContact O-N 3.3Å; A277-C410 PolarHBondContact O-SG 3.03Å; A277-C410 VanDerWaalsContact O-SG 3.36Å; A277-F414 HydrophobicContact CB-CE2 3.66Å; A277-F414 HydrophobicContact CB-CZ 3.96Å |
| 278 | N | 94.4 | Very high | 93.9 | Very high | 111 Ų | 111 | 41.1 Ų | 41.1 | 59% | 0.594 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -64.5 | -44.2 | 177.8 | 179.5 | 60.9 | 0 | 0 | 0 | 111.8 | A274 Q275 Q276 S282 | A274-N278 VanDerWaalsContact O-CB 3.3Å; A274-N278 WeakPolarHBondContact O-CB 3.31Å; A274-N278 PolarHBondContact O-N 3.16Å; Q275-N278 PolarHBondContact O-N 3.14Å; Q276-N278 PolarHBondContact O-N 3.39Å; N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.39Å; N278-S282 PolarHBondContact O-N 3.26Å; N278-S282 PolarHBondContact O-OG 3.25Å |
| 279 | I | 93.5 | Very high | 94.2 | Very high | 14 Ų | 14 | 41.1 Ų | 41.1 | 7% | 0.072 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -66.5 | -49.4 | -179.6 | -67.4 | 162.4 | 0 | 0 | 0 | 110.3 | F268 L271 Q275 Q276 S282 R283 L343 | F268-I279 HydrophobicContact CE2-CB 4.16Å; F268-I279 HydrophobicContact CE2-CD1 4.13Å; F268-I279 HydrophobicContact CE2-CG2 4.02Å; L271-I279 HydrophobicContact CD1-CD1 3.8Å; Q275-I279 WeakPolarHBondContact O-CD1 3.26Å; Q275-I279 VanDerWaalsContact O-CG1 3.27Å; Q275-I279 WeakPolarHBondContact O-CG1 3.42Å; Q275-I279 PolarHBondContact O-N 3.49Å; Q276-I279 PolarHBondContact O-N 3.32Å; I279-S282 PolarHBondContact O-N 3.45Å; I279-R283 WeakPolarHBondContact O-CA 3.35Å; I279-R283 WeakPolarHBondContact O-CB 3.2Å; I279-R283 PolarHBondContact O-N 3.46Å; I279-L343 WeakPolarHBondContact CD1-O 3.37Å |
| 280 | L | 94.3 | Very high | 94.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64 | -48.5 | 178.3 | -66.5 | 173.1 | 0 | 0 | 0 | 111.2 | P262 F268 Q276 S282 R283 W284 L287 L343 V409 Y413 | P262-L280 HydrophobicContact CB-CD2 4.24Å; P262-L280 HydrophobicContact CG-CD2 3.76Å; F268-L280 HydrophobicContact CE1-CD1 4.24Å; F268-L280 HydrophobicContact CE1-CG 4.47Å; F268-L280 HydrophobicContact CZ-CD1 4.01Å; F268-L280 HydrophobicContact CZ-CD2 4.16Å; F268-L280 HydrophobicContact CZ-CG 3.84Å; Q276-L280 WeakPolarHBondContact O-CB 3.37Å; Q276-L280 WeakPolarHBondContact O-CG 3.26Å; Q276-L280 PolarHBondContact O-N 3.31Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.09Å; L280-R283 PolarHBondContact O-N 3.38Å; L280-W284 WeakPolarHBondContact O-CA 3.47Å; L280-W284 WeakPolarHBondContact O-CB 3.03Å; L280-W284 PolarHBondContact O-N 2.95Å; L280-L287 HydrophobicContact CD2-CD1 4.23Å; L280-L343 HydrophobicContact CD2-CD2 4.15Å; L280-V409 HydrophobicContact CB-CG1 4.13Å; L280-Y413 HydrophobicContact CD1-CD1 3.78Å; L280-Y413 HydrophobicContact CD1-CD2 3.45Å; L280-Y413 VanDerWaalsContact CD1-CD2 3.45Å; L280-Y413 HydrophobicContact CD1-CE1 4.15Å; L280-Y413 HydrophobicContact CD1-CE2 3.89Å; L280-Y413 HydrophobicContact CD1-CG 3.42Å; L280-Y413 VanDerWaalsContact CD1-CG 3.42Å |
| 281 | G | 93.7 | Very high | 94.6 | Very high | 18 Ų | 18 | 32.7 Ų | 32.7 | 19% | 0.186 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -61 | -37.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | A277 S406 | A277-G281 WeakPolarHBondContact O-CA 3.2Å; A277-G281 PolarHBondContact O-N 3.3Å; G281-S406 WeakPolarHBondContact O-CB 3.34Å |
| 282 | S | 93.8 | Very high | 94.8 | Very high | 61 Ų | 61 | 31.9 Ų | 31.9 | 43% | 0.427 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -87.7 | -28.6 | -178.7 | 62.3 | 0 | 0 | 0 | 0 | 114.4 | N278 I279 L280 H285 | N278-S282 VanDerWaalsContact O-CB 3.29Å; N278-S282 WeakPolarHBondContact O-CB 3.39Å; N278-S282 PolarHBondContact O-N 3.26Å; N278-S282 PolarHBondContact O-OG 3.25Å; I279-S282 PolarHBondContact O-N 3.45Å; L280-S282 VanDerWaalsContact C-N 3.31Å; L280-S282 PolarHBondContact O-N 3.09Å; S282-H285 PolarHBondContact O-CE1 3.23Å; S282-H285 PolarHBondContact O-ND1 2.82Å |
| 283 | R | 95.6 | Very high | 94.8 | Very high | 44 Ų | 44 | 29.3 Ų | 29.3 | 17% | 0.166 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -124.8 | 10.4 | -169.1 | -49.1 | -171.8 | 71.8 | 155.6 | -12.5 | 115 | I279 L280 H285 E286 L287 V342 | I279-R283 WeakPolarHBondContact O-CA 3.35Å; I279-R283 WeakPolarHBondContact O-CB 3.2Å; I279-R283 PolarHBondContact O-N 3.46Å; L280-R283 PolarHBondContact O-N 3.38Å; R283-H285 PolarHBondContact O-N 3.3Å; R283-H285 VanDerWaalsContact O-N 3.11Å; R283-E286 IonicContact CZ-OE1 3.6Å; R283-E286 VanDerWaalsContact CZ-OE1 3.29Å; R283-E286 IonicContact CZ-OE2 3.73Å; R283-E286 IonicContact NE-OE1 4Å; R283-E286 PolarHBondContact NE-OE1 3.19Å; R283-E286 IonicContact NE-OE2 3.84Å; R283-E286 PolarHBondContact NE-OE2 3.29Å; R283-E286 IonicContact NH2-OE1 2.99Å; R283-E286 PolarHBondContact NH2-OE1 3.37Å; R283-E286 IonicContact NH2-OE2 2.62Å; R283-E286 PolarHBondContact NH2-OE2 2.94Å; R283-E286 WeakPolarHBondContact O-CB 3.5Å; R283-E286 PolarHBondContact O-N 3.43Å; R283-L287 PolarHBondContact O-N 3.22Å; R283-V342 HydrophobicContact CB-CG1 4.02Å |
| 284 | W | 96.1 | Very high | 94.7 | Very high | 2 Ų | 2 | 23.8 Ų | 23.8 | 1% | 0.008 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -51.1 | -38.1 | 177.1 | 69.1 | -89.1 | 0 | 0 | 0 | 113 | L255 T258 L280 E286 L287 F288 I391 E392 F396 M405 V409 | L255-W284 HydrophobicContact CD1-CE3 4.06Å; L255-W284 HydrophobicContact CD1-CZ3 4.18Å; T258-W284 HydrophobicContact CG2-CB 4.32Å; L280-W284 WeakPolarHBondContact O-CA 3.47Å; L280-W284 WeakPolarHBondContact O-CB 3.03Å; L280-W284 PolarHBondContact O-N 2.95Å; W284-E286 VanDerWaalsContact C-N 3.31Å; W284-E286 PolarHBondContact O-N 3Å; W284-L287 PolarHBondContact O-N 2.8Å; W284-F288 HydrophobicContact CE3-CB 4.11Å; W284-F288 HydrophobicContact CZ3-CB 4.22Å; W284-F288 HydrophobicContact CZ3-CG 4.25Å; W284-F288 VanDerWaalsContact O-CB 3.31Å; W284-F288 WeakPolarHBondContact O-CB 3.43Å; W284-F288 PolarHBondContact O-N 3.41Å; W284-I391 HydrophobicContact CH2-CB 4.11Å; W284-I391 HydrophobicContact CH2-CG2 3.82Å; W284-I391 HydrophobicContact CZ3-CG2 4Å; W284-E392 HydrophobicContact CH2-CG 4.14Å; W284-E392 HydrophobicContact CZ2-CG 3.94Å; W284-F396 HydrophobicContact CZ3-CE2 4.43Å; W284-M405 HydrophobicContact CD2-CB 4.22Å; W284-M405 HydrophobicContact CH2-CB 3.73Å; W284-M405 HydrophobicContact CH2-CG 3.82Å; W284-M405 HydrophobicContact CZ2-CB 3.3Å; W284-M405 HydrophobicContact CZ2-CG 3.82Å; W284-M405 HydrophobicContact CZ3-CB 4.33Å; W284-V409 HydrophobicContact CB-CB 4.29Å; W284-V409 HydrophobicContact CB-CG1 3.91Å; W284-V409 HydrophobicContact CB-CG2 3.93Å; W284-V409 HydrophobicContact CD2-CG2 4.26Å; W284-V409 HydrophobicContact CE3-CG2 4.45Å; W284-V409 HydrophobicContact CG-CG2 4.04Å |
| 285 | H | 97 | Very high | 94.6 | Very high | 17 Ų | 17 | 21.4 Ų | 21.4 | 8% | 0.079 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -33.6 | -177.3 | 63.1 | -76.9 | 0 | 0 | 0 | 111.8 | S282 R283 F288 I289 I386 | S282-H285 PolarHBondContact O-CE1 3.23Å; S282-H285 PolarHBondContact O-ND1 2.82Å; R283-H285 PolarHBondContact O-N 3.3Å; R283-H285 VanDerWaalsContact O-N 3.11Å; H285-F288 PolarHBondContact O-N 3.28Å; H285-I289 WeakPolarHBondContact O-CB 3.33Å; H285-I289 WeakPolarHBondContact O-CD1 3.29Å; H285-I289 WeakPolarHBondContact O-CG1 3.49Å; H285-I289 PolarHBondContact O-N 2.87Å; H285-I386 PolarHBondContact CD2-O 3.31Å; H285-I386 PolarHBondContact NE2-O 3.43Å |
| 286 | E | 97.4 | Very high | 94.4 | Very high | 6 Ų | 6 | 21 Ų | 21 | 3% | 0.028 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.3 | -45.9 | 175.6 | -63.5 | 179.2 | -121.2 | 0 | 0 | 111.1 | R283 W284 F288 I289 L290 V342 V383 | R283-E286 IonicContact CZ-OE1 3.6Å; R283-E286 VanDerWaalsContact CZ-OE1 3.29Å; R283-E286 IonicContact CZ-OE2 3.73Å; R283-E286 IonicContact NE-OE1 4Å; R283-E286 PolarHBondContact NE-OE1 3.19Å; R283-E286 IonicContact NE-OE2 3.84Å; R283-E286 PolarHBondContact NE-OE2 3.29Å; R283-E286 IonicContact NH2-OE1 2.99Å; R283-E286 PolarHBondContact NH2-OE1 3.37Å; R283-E286 IonicContact NH2-OE2 2.62Å; R283-E286 PolarHBondContact NH2-OE2 2.94Å; R283-E286 WeakPolarHBondContact O-CB 3.5Å; R283-E286 PolarHBondContact O-N 3.43Å; W284-E286 VanDerWaalsContact C-N 3.31Å; W284-E286 PolarHBondContact O-N 3Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-F288 PolarHBondContact O-N 3.41Å; E286-I289 PolarHBondContact O-N 3.25Å; E286-L290 WeakPolarHBondContact O-CG 3.23Å; E286-L290 PolarHBondContact O-N 2.93Å; E286-V342 HydrophobicContact CB-CG1 3.88Å; E286-V342 HydrophobicContact CB-CG2 4.14Å; E286-V383 HydrophobicContact CB-CG1 4.07Å; E286-V383 HydrophobicContact CG-CG1 4.3Å |
| 287 | L | 95.7 | Very high | 94.3 | Very high | 3 Ų | 3 | 20.9 Ų | 20.9 | 2% | 0.016 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.2 | -44.2 | 174.1 | -66.4 | 173.2 | 0 | 0 | 0 | 111.3 | T258 P262 L280 R283 W284 I289 L290 L291 K339 V342 L343 | T258-L287 HydrophobicContact CG2-CB 3.86Å; T258-L287 HydrophobicContact CG2-CD1 4.32Å; P262-L287 HydrophobicContact CG-CD1 4.45Å; L280-L287 HydrophobicContact CD2-CD1 4.23Å; R283-L287 PolarHBondContact O-N 3.22Å; W284-L287 PolarHBondContact O-N 2.8Å; L287-I289 PolarHBondContact O-N 3.12Å; L287-L290 PolarHBondContact O-N 2.97Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.31Å; L287-K339 HydrophobicContact CD2-CB 3.96Å; L287-K339 HydrophobicContact CD2-CG 4.18Å; L287-V342 HydrophobicContact CD2-CB 3.78Å; L287-V342 HydrophobicContact CD2-CG1 3.72Å; L287-V342 HydrophobicContact CG-CB 4.37Å; L287-V342 HydrophobicContact CG-CG1 3.75Å; L287-L343 HydrophobicContact CD1-CD2 3.61Å; L287-L343 HydrophobicContact CD1-CG 4.34Å; L287-L343 HydrophobicContact CD2-CD2 4.35Å; L287-L343 HydrophobicContact CD2-CG 4.2Å |
| 288 | F | 96.1 | Very high | 94 | Very high | 0 Ų | 0 | 19.9 Ų | 19.9 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.7 | -41.7 | 179 | -178.4 | -91.7 | 0 | 0 | 0 | 112 | A251 L254 L255 W284 H285 E286 L291 S292 L297 F298 I391 L395 F396 | A251-F288 HydrophobicContact CB-CZ 4.09Å; A251-F288 WeakPolarHBondContact O-CE2 3.25Å; L254-F288 HydrophobicContact CB-CD2 4.28Å; L254-F288 HydrophobicContact CB-CE2 3.74Å; L254-F288 HydrophobicContact CB-CZ 4.46Å; L255-F288 HydrophobicContact CB-CD2 4.41Å; L255-F288 HydrophobicContact CB-CE2 4.22Å; L255-F288 HydrophobicContact CD1-CD2 4.4Å; W284-F288 HydrophobicContact CE3-CB 4.11Å; W284-F288 HydrophobicContact CZ3-CB 4.22Å; W284-F288 HydrophobicContact CZ3-CG 4.25Å; W284-F288 VanDerWaalsContact O-CB 3.31Å; W284-F288 WeakPolarHBondContact O-CB 3.43Å; W284-F288 PolarHBondContact O-N 3.41Å; H285-F288 PolarHBondContact O-N 3.28Å; E286-F288 VanDerWaalsContact C-N 3.33Å; E286-F288 PolarHBondContact O-N 3.41Å; F288-L291 PolarHBondContact O-N 3.21Å; F288-S292 VanDerWaalsContact CE1-OG 3.25Å; F288-S292 WeakPolarHBondContact CE1-OG 3.32Å; F288-S292 VanDerWaalsContact O-CB 3.25Å; F288-S292 WeakPolarHBondContact O-CB 3.22Å; F288-S292 PolarHBondContact O-N 3.38Å; F288-S292 PolarHBondContact O-OG 3.49Å; F288-L297 HydrophobicContact CE1-CD2 4.21Å; F288-L297 HydrophobicContact CZ-CD2 3.93Å; F288-F298 HydrophobicContact CE1-CZ 4.42Å; F288-I391 HydrophobicContact CD1-CG2 3.63Å; F288-I391 HydrophobicContact CE1-CG2 3.64Å; F288-L395 HydrophobicContact CE1-CD1 3.53Å; F288-L395 HydrophobicContact CZ-CD1 3.64Å; F288-F396 HydrophobicContact CE1-CE2 4.34Å; F288-F396 HydrophobicContact CE2-CE2 4.16Å; F288-F396 AromaticContact CE2-CZ 3.79Å; F288-F396 HydrophobicContact CE2-CZ 3.79Å; F288-F396 AromaticContact CZ-CE2 3.93Å; F288-F396 HydrophobicContact CZ-CE2 3.93Å; F288-F396 AromaticContact CZ-CZ 3.77Å; F288-F396 HydrophobicContact CZ-CZ 3.77Å |
| 289 | I | 96.9 | Very high | 93.5 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 176.6 | -71.5 | 162.7 | 0 | 0 | 0 | 110.6 | H285 E286 L287 L291 S292 A293 L318 V383 I386 I391 | H285-I289 WeakPolarHBondContact O-CB 3.33Å; H285-I289 WeakPolarHBondContact O-CD1 3.29Å; H285-I289 WeakPolarHBondContact O-CG1 3.49Å; H285-I289 PolarHBondContact O-N 2.87Å; E286-I289 PolarHBondContact O-N 3.25Å; L287-I289 PolarHBondContact O-N 3.12Å; I289-L291 VanDerWaalsContact C-N 3.35Å; I289-L291 PolarHBondContact O-N 3.48Å; I289-S292 PolarHBondContact O-N 2.84Å; I289-A293 WeakPolarHBondContact O-CB 3.18Å; I289-A293 PolarHBondContact O-N 3.39Å; I289-L318 HydrophobicContact CD1-CD1 4.4Å; I289-L318 HydrophobicContact CG1-CD1 4.15Å; I289-L318 HydrophobicContact CG2-CD1 3.76Å; I289-V383 HydrophobicContact CB-CG1 3.99Å; I289-V383 HydrophobicContact CD1-CG1 4.31Å; I289-V383 HydrophobicContact CG2-CB 4.48Å; I289-V383 HydrophobicContact CG2-CG1 3.85Å; I289-V383 HydrophobicContact CG2-CG2 3.93Å; I289-I386 HydrophobicContact CD1-CB 3.89Å; I289-I386 HydrophobicContact CD1-CD1 4.24Å; I289-I386 HydrophobicContact CD1-CG2 3.75Å; I289-I391 HydrophobicContact CD1-CD1 4.05Å; I289-I391 HydrophobicContact CD1-CG1 4.21Å; I289-I391 HydrophobicContact CG1-CD1 3.86Å; I289-I391 HydrophobicContact CG1-CG1 4.27Å |
| 290 | L | 96.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -61.7 | -43 | 176.2 | -70.7 | 172.7 | 0 | 0 | 0 | 111.7 | E286 L287 A293 Q294 F325 Y335 L338 K339 V342 V383 | E286-L290 WeakPolarHBondContact O-CG 3.23Å; E286-L290 PolarHBondContact O-N 2.93Å; L287-L290 PolarHBondContact O-N 2.97Å; L290-A293 PolarHBondContact O-N 2.87Å; L290-Q294 WeakPolarHBondContact O-CB 3.11Å; L290-Q294 PolarHBondContact O-N 3.32Å; L290-F325 HydrophobicContact CD2-CE1 4.38Å; L290-F325 HydrophobicContact CD2-CE2 4.33Å; L290-F325 HydrophobicContact CD2-CZ 3.74Å; L290-Y335 HydrophobicContact CD2-CD1 4.5Å; L290-L338 HydrophobicContact CD1-CB 3.88Å; L290-L338 HydrophobicContact CD2-CB 4.04Å; L290-L338 HydrophobicContact CD2-CD1 4.15Å; L290-K339 HydrophobicContact CB-CD 4.47Å; L290-K339 HydrophobicContact CB-CG 3.93Å; L290-K339 HydrophobicContact CD1-CB 4.48Å; L290-K339 HydrophobicContact CD1-CG 3.77Å; L290-V342 HydrophobicContact CD1-CG2 4.03Å; L290-V383 HydrophobicContact CD2-CG2 4.48Å |
| 291 | L | 93.3 | Very high | 92.2 | Very high | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.01 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.1 | -42.9 | 173.3 | -71.9 | 171.9 | 0 | 0 | 0 | 111.7 | L254 L257 T258 L287 F288 I289 A293 Q294 F295 K339 | L254-L291 HydrophobicContact CD2-CB 4.28Å; L257-L291 HydrophobicContact CB-CD1 4.24Å; L257-L291 HydrophobicContact CD2-CD1 4.3Å; L257-L291 HydrophobicContact CD2-CD2 3.75Å; L257-L291 HydrophobicContact CG-CD1 4.05Å; L257-L291 HydrophobicContact CG-CD2 4.21Å; T258-L291 WeakPolarHBondContact OG1-CD1 2.95Å; L287-L291 WeakPolarHBondContact O-CG 3.46Å; L287-L291 PolarHBondContact O-N 3.31Å; F288-L291 PolarHBondContact O-N 3.21Å; I289-L291 VanDerWaalsContact C-N 3.35Å; I289-L291 PolarHBondContact O-N 3.48Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.04Å; L291-Q294 PolarHBondContact O-N 3.5Å; L291-F295 HydrophobicContact CD2-CE2 4.04Å; L291-F295 VanDerWaalsContact O-CD2 3.23Å; L291-F295 WeakPolarHBondContact O-CD2 3.09Å; L291-F295 PolarHBondContact O-N 3.45Å; L291-K339 HydrophobicContact CD2-CD 3.9Å; L291-K339 HydrophobicContact CG-CD 4.12Å |
| 292 | S | 93.7 | Very high | 91.8 | Very high | 1 Ų | 1 | 30.7 Ų | 30.7 | 1% | 0.007 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.2 | -36.6 | 177.8 | -63.1 | 0 | 0 | 0 | 0 | 112.4 | F288 I289 N296 L297 F298 | F288-S292 VanDerWaalsContact CE1-OG 3.25Å; F288-S292 WeakPolarHBondContact CE1-OG 3.32Å; F288-S292 VanDerWaalsContact O-CB 3.25Å; F288-S292 WeakPolarHBondContact O-CB 3.22Å; F288-S292 PolarHBondContact O-N 3.38Å; F288-S292 PolarHBondContact O-OG 3.49Å; I289-S292 PolarHBondContact O-N 2.84Å; S292-N296 CarbonylContact O-C 3.58Å; S292-N296 WeakPolarHBondContact O-CA 3.15Å; S292-N296 PolarHBondContact O-N 3.04Å; S292-L297 PolarHBondContact O-N 3.31Å; S292-L297 WeakPolarHBondContact OG-CD2 3.29Å; S292-F298 VanDerWaalsContact CB-CE2 3.44Å |
| 293 | A | 94.6 | Very high | 91.4 | Very high | 2 Ų | 2 | 32.4 Ų | 32.4 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -69.2 | -48.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | I289 L290 L291 F295 N296 F325 Y335 | I289-A293 WeakPolarHBondContact O-CB 3.18Å; I289-A293 PolarHBondContact O-N 3.39Å; L290-A293 PolarHBondContact O-N 2.87Å; L291-A293 VanDerWaalsContact C-N 3.3Å; L291-A293 PolarHBondContact O-N 3.04Å; A293-F295 VanDerWaalsContact C-N 3.26Å; A293-F295 PolarHBondContact O-N 3.43Å; A293-N296 PolarHBondContact O-N 3.11Å; A293-F325 HydrophobicContact CB-CB 4.34Å; A293-F325 HydrophobicContact CB-CD2 3.91Å; A293-F325 HydrophobicContact CB-CG 4.19Å; A293-Y335 HydrophobicContact CB-CE1 4.01Å |
| 294 | Q | 91.8 | Very high | 91.1 | Very high | 27 Ų | 27 | 33.2 Ų | 33.2 | 13% | 0.126 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -57.2 | -38.5 | 178.7 | -177.3 | 174.8 | 11.3 | 0 | 0 | 112.6 | L290 L291 Y335 | L290-Q294 WeakPolarHBondContact O-CB 3.11Å; L290-Q294 PolarHBondContact O-N 3.32Å; L291-Q294 PolarHBondContact O-N 3.5Å; Q294-Y335 HydrophobicContact CB-CD1 3.97Å; Q294-Y335 HydrophobicContact CB-CD2 3.8Å; Q294-Y335 HydrophobicContact CB-CE1 4.01Å; Q294-Y335 HydrophobicContact CB-CE2 3.82Å; Q294-Y335 HydrophobicContact CB-CG 3.87Å; Q294-Y335 HydrophobicContact CG-CD2 3.7Å; Q294-Y335 HydrophobicContact CG-CE2 4.03Å; Q294-Y335 HydrophobicContact CG-CG 4.02Å; Q294-Y335 PolarHBondContact N-OH 3.19Å |
| 295 | F | 90.4 | Very high | 90.8 | Very high | 26 Ų | 26 | 37.5 Ų | 37.5 | 11% | 0.114 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -104.5 | 14.9 | -177.6 | -65.2 | -69.5 | 0 | 0 | 0 | 114.1 | C235 F238 L254 L257 L291 A293 L297 | C235-F295 HydrophobicContact CB-CE1 4.2Å; C235-F295 HydrophobicContact CB-CZ 4.29Å; C235-F295 VanDerWaalsContact SG-CZ 3.59Å; F238-F295 HydrophobicContact CB-CE1 4.23Å; F238-F295 HydrophobicContact CB-CZ 4.25Å; F238-F295 HydrophobicContact CD1-CB 4Å; F238-F295 AromaticContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD1 3.41Å; F238-F295 VanDerWaalsContact CD1-CD1 3.41Å; F238-F295 HydrophobicContact CD1-CD2 4.08Å; F238-F295 AromaticContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE1 3.8Å; F238-F295 HydrophobicContact CD1-CE2 4.43Å; F238-F295 AromaticContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CG 3.57Å; F238-F295 HydrophobicContact CD1-CZ 4.3Å; F238-F295 HydrophobicContact CE1-CB 3.56Å; F238-F295 AromaticContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD1 3.91Å; F238-F295 HydrophobicContact CE1-CD2 4.3Å; F238-F295 AromaticContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CE1-CG 3.68Å; F238-F295 HydrophobicContact CG-CD1 4.34Å; F238-F295 HydrophobicContact CG-CE1 4.35Å; F238-F295 HydrophobicContact CG-CG 4.44Å; F238-F295 HydrophobicContact CG-CZ 4.49Å; F238-F295 HydrophobicContact CZ-CB 4.38Å; L254-F295 HydrophobicContact CD2-CB 4.41Å; L254-F295 HydrophobicContact CD2-CD2 3.57Å; L254-F295 HydrophobicContact CD2-CE2 4.19Å; L254-F295 HydrophobicContact CD2-CG 4.25Å; L257-F295 HydrophobicContact CD2-CE2 4Å; L291-F295 HydrophobicContact CD2-CE2 4.04Å; L291-F295 VanDerWaalsContact O-CD2 3.23Å; L291-F295 WeakPolarHBondContact O-CD2 3.09Å; L291-F295 PolarHBondContact O-N 3.45Å; A293-F295 VanDerWaalsContact C-N 3.26Å; A293-F295 PolarHBondContact O-N 3.43Å; F295-L297 VanDerWaalsContact C-N 3.25Å; F295-L297 PolarHBondContact O-N 3.49Å; F295-L297 VanDerWaalsContact O-N 3.16Å |
| 296 | N | 90.4 | Very high | 90.4 | Very high | 63 Ų | 63 | 42.7 Ų | 42.7 | 34% | 0.337 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 54 | 33.9 | 175.1 | -63.8 | -49.1 | 0 | 0 | 0 | 115.2 | S292 A293 F298 Q299 R326 | S292-N296 CarbonylContact O-C 3.58Å; S292-N296 WeakPolarHBondContact O-CA 3.15Å; S292-N296 PolarHBondContact O-N 3.04Å; A293-N296 PolarHBondContact O-N 3.11Å; N296-F298 VanDerWaalsContact C-N 3.26Å; N296-F298 PolarHBondContact O-N 2.94Å; N296-Q299 HydrophobicContact CB-CB 4.19Å; N296-Q299 VanDerWaalsContact O-CB 3.28Å; N296-Q299 WeakPolarHBondContact O-CB 3.32Å; N296-Q299 PolarHBondContact O-N 3.25Å; N296-Q299 VanDerWaalsContact O-N 3.08Å; N296-R326 VanDerWaalsContact OD1-CD 3.3Å; N296-R326 WeakPolarHBondContact OD1-CD 3.35Å |
| 297 | L | 90.4 | Very high | 90 | Very high | 12 Ų | 12 | 43.6 Ų | 43.6 | 6% | 0.063 | 22% | 0.224 | C | C | . | . | G | 310 helix | trans | -55 | -43.7 | -179.4 | -177.5 | 72.9 | 0 | 0 | 0 | 111.8 | I247 N250 A251 L254 F288 S292 F295 Q299 L395 | I247-L297 HydrophobicContact CG1-CD1 3.98Å; I247-L297 HydrophobicContact CG1-CG 4.17Å; N250-L297 HydrophobicContact CB-CD1 3.68Å; A251-L297 HydrophobicContact CB-CD2 4.15Å; L254-L297 HydrophobicContact CD1-CB 4.01Å; L254-L297 HydrophobicContact CD1-CD1 4.21Å; L254-L297 HydrophobicContact CD1-CD2 4.05Å; L254-L297 HydrophobicContact CD1-CG 4.3Å; F288-L297 HydrophobicContact CE1-CD2 4.21Å; F288-L297 HydrophobicContact CZ-CD2 3.93Å; S292-L297 PolarHBondContact O-N 3.31Å; S292-L297 WeakPolarHBondContact OG-CD2 3.29Å; F295-L297 VanDerWaalsContact C-N 3.25Å; F295-L297 PolarHBondContact O-N 3.49Å; F295-L297 VanDerWaalsContact O-N 3.16Å; L297-Q299 VanDerWaalsContact C-N 3.28Å; L297-Q299 PolarHBondContact O-N 2.99Å; L297-L395 HydrophobicContact CD2-CD1 3.93Å |
| 298 | F | 88.7 | Confident | 89.7 | Confident | 8 Ų | 8 | 51.5 Ų | 51.5 | 4% | 0.035 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -88.7 | 17.4 | -177.5 | -58.9 | -58.5 | 0 | 0 | 0 | 113.8 | F288 S292 N296 W315 L318 I391 L394 L395 | F288-F298 HydrophobicContact CE1-CZ 4.42Å; S292-F298 VanDerWaalsContact CB-CE2 3.44Å; N296-F298 VanDerWaalsContact C-N 3.26Å; N296-F298 PolarHBondContact O-N 2.94Å; F298-W315 HydrophobicContact CB-CH2 4.1Å; F298-W315 HydrophobicContact CB-CZ3 4.39Å; F298-W315 AromaticContact CD1-CH2 3.86Å; F298-W315 HydrophobicContact CD1-CH2 3.86Å; F298-W315 AromaticContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CE1-CZ3 4.13Å; F298-W315 HydrophobicContact CG-CH2 4.23Å; F298-W315 HydrophobicContact CG-CZ3 4.09Å; F298-L318 HydrophobicContact CD2-CD1 4.32Å; F298-L318 HydrophobicContact CD2-CD2 4.21Å; F298-L318 HydrophobicContact CD2-CG 4.27Å; F298-L318 HydrophobicContact CE1-CD2 4.36Å; F298-L318 HydrophobicContact CE2-CD1 4.12Å; F298-L318 HydrophobicContact CE2-CD2 3.78Å; F298-L318 HydrophobicContact CE2-CG 4.23Å; F298-L318 HydrophobicContact CZ-CD2 3.87Å; F298-I391 HydrophobicContact CZ-CD1 4.3Å; F298-L394 HydrophobicContact CD1-CD2 4.42Å; F298-L394 HydrophobicContact CE1-CD2 3.81Å; F298-L395 HydrophobicContact CE1-CD1 3.93Å; F298-L395 HydrophobicContact CE1-CD2 4.33Å; F298-L395 HydrophobicContact CE1-CG 4.43Å; F298-L395 HydrophobicContact CZ-CD1 3.95Å |
| 299 | Q | 84.3 | Confident | 89.3 | Confident | 127 Ų | 127 | 55 Ų | 55 | 59% | 0.593 | 28% | 0.283 | S | S | * | . | G | 310 helix | trans | -70.4 | -37.1 | 170.7 | -175.6 | 174.3 | 10.6 | 0 | 0 | 111.3 | N296 L297 | N296-Q299 HydrophobicContact CB-CB 4.19Å; N296-Q299 VanDerWaalsContact O-CB 3.28Å; N296-Q299 WeakPolarHBondContact O-CB 3.32Å; N296-Q299 PolarHBondContact O-N 3.25Å; N296-Q299 VanDerWaalsContact O-N 3.08Å; L297-Q299 VanDerWaalsContact C-N 3.28Å; L297-Q299 PolarHBondContact O-N 2.99Å |
| 300 | N | 80.7 | Confident | 88.9 | Confident | 97 Ų | 97 | 60.7 Ų | 60.7 | 52% | 0.519 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -90.9 | 131.4 | 169.5 | -62.7 | -44.3 | 0 | 0 | 0 | 108.7 | P302 | N300-P302 WeakPolarHBondContact O-CD 3.49Š|
| 301 | E | 79.9 | Confident | 88.6 | Confident | 136 Ų | 136 | 61.1 Ų | 61.1 | 64% | 0.636 | 32% | 0.315 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 124.2 | -177.9 | -64.9 | -165.5 | 147.7 | 0 | 0 | 110.9 | Q319 | E301-Q319 PolarHBondContact OE1-NE2 2.73Š|
| 302 | P | 84.4 | Confident | 88.5 | Confident | 10 Ų | 10 | 63.1 Ų | 63.1 | 7% | 0.065 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -65.7 | 167.8 | 168.3 | 22.4 | -27.3 | 0 | 0 | 0 | 111.4 | I247 N300 I304 W315 L394 | I247-P302 HydrophobicContact CD1-CB 3.93Å; I247-P302 HydrophobicContact CD1-CG 4.21Å; N300-P302 WeakPolarHBondContact O-CD 3.49Å; P302-I304 PolarHBondContact O-N 3.41Å; P302-I304 VanDerWaalsContact O-N 3.09Å; P302-W315 VanDerWaalsContact CD-CH2 3.41Å; P302-W315 HydrophobicContact CG-CH2 3.66Å; P302-W315 HydrophobicContact CG-CZ2 3.98Å; P302-W315 HydrophobicContact CG-CZ3 4.08Å; P302-L394 HydrophobicContact CB-CD1 3.88Å; P302-L394 HydrophobicContact CB-CD2 4.46Å; P302-L394 HydrophobicContact CB-CG 3.89Å; P302-L394 HydrophobicContact CG-CD1 3.55Å; P302-L394 HydrophobicContact CG-CD2 3.66Å; P302-L394 HydrophobicContact CG-CG 3.58Å |
| 303 | D | 85.6 | Confident | 88.3 | Confident | 98 Ų | 98 | 65.4 Ų | 65.4 | 52% | 0.524 | 34% | 0.337 | S | S | . | . | trans | -65.4 | 109.8 | 169.8 | 179.2 | 14.5 | 0 | 0 | 0 | 110.5 | S305 | D303-S305 VanDerWaalsContact CG-OG 3.31Å; D303-S305 WeakPolarHBondContact OD1-CB 3.27Å; D303-S305 PolarHBondContact OD1-N 3.2Å; D303-S305 PolarHBondContact OD1-OG 2.7Å; D303-S305 PolarHBondContact OD2-OG 3.26Å | ||
| 304 | I | 89.3 | Confident | 88.2 | Confident | 60 Ų | 60 | 67.3 Ų | 67.3 | 31% | 0.308 | 35% | 0.346 | S | S | . | . | trans | -96.9 | 0 | 179.5 | 59.5 | 170.5 | 0 | 0 | 0 | 113.3 | P302 K306 L307 L312 W315 L394 | P302-I304 PolarHBondContact O-N 3.41Å; P302-I304 VanDerWaalsContact O-N 3.09Å; I304-K306 PolarHBondContact O-N 3.49Å; I304-K306 VanDerWaalsContact O-N 3.14Å; I304-L307 HydrophobicContact CB-CD1 4Å; I304-L307 HydrophobicContact CB-CG 4.44Å; I304-L307 HydrophobicContact CG2-CD1 3.97Å; I304-L307 WeakPolarHBondContact O-CB 3.48Å; I304-L307 PolarHBondContact O-N 2.72Å; I304-L307 VanDerWaalsContact O-N 3.11Å; I304-L312 HydrophobicContact CB-CD1 4.49Å; I304-L312 HydrophobicContact CD1-CD1 4.07Å; I304-W315 HydrophobicContact CG2-CD2 4.47Å; I304-W315 HydrophobicContact CG2-CG 4.38Å; I304-L394 HydrophobicContact CG2-CD1 4.3Å | ||
| 305 | S | 89.2 | Confident | 88.3 | Confident | 93 Ų | 93 | 66.1 Ų | 66.1 | 65% | 0.65 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | -27.7 | -172.4 | 62.5 | 0 | 0 | 0 | 0 | 113.8 | D303 | D303-S305 VanDerWaalsContact CG-OG 3.31Å; D303-S305 WeakPolarHBondContact OD1-CB 3.27Å; D303-S305 PolarHBondContact OD1-N 3.2Å; D303-S305 PolarHBondContact OD1-OG 2.7Å; D303-S305 PolarHBondContact OD2-OG 3.26Å |
| 306 | K | 88.3 | Confident | 88.3 | Confident | 125 Ų | 125 | 70.9 Ų | 70.9 | 54% | 0.543 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -6.2 | -178.4 | -64 | 175.3 | -177.6 | 172.4 | 0 | 114.2 | I304 D398 | I304-K306 PolarHBondContact O-N 3.49Å; I304-K306 VanDerWaalsContact O-N 3.14Å; K306-D398 IonicContact NZ-OD1 2.7Å; K306-D398 PolarHBondContact NZ-OD1 3.13Å; K306-D398 IonicContact NZ-OD2 3.51Å; K306-D398 PolarHBondContact NZ-OD2 2.94Å |
| 307 | L | 89.2 | Confident | 88.4 | Confident | 25 Ų | 25 | 68.9 Ų | 68.9 | 13% | 0.131 | 35% | 0.348 | C | S | . | . | trans | -76.3 | 136.9 | -175.4 | -61.7 | -176.3 | 0 | 0 | 0 | 111.8 | I304 E311 L312 W315 L390 Q393 L394 | I304-L307 HydrophobicContact CB-CD1 4Å; I304-L307 HydrophobicContact CB-CG 4.44Å; I304-L307 HydrophobicContact CG2-CD1 3.97Å; I304-L307 WeakPolarHBondContact O-CB 3.48Å; I304-L307 PolarHBondContact O-N 2.72Å; I304-L307 VanDerWaalsContact O-N 3.11Å; L307-E311 HydrophobicContact CB-CB 4.08Å; L307-E311 HydrophobicContact CD2-CB 4.14Å; L307-L312 HydrophobicContact CD1-CD1 4.5Å; L307-W315 HydrophobicContact CD1-CB 4.06Å; L307-W315 HydrophobicContact CD1-CG 4.37Å; L307-L390 HydrophobicContact CD1-CD1 4.35Å; L307-L390 HydrophobicContact CD2-CD1 4.25Å; L307-Q393 HydrophobicContact CD2-CB 4.08Å; L307-L394 HydrophobicContact CD1-CD1 4.1Å; L307-L394 HydrophobicContact CD2-CD1 4.42Å | ||
| 308 | R | 90.8 | Very high | 88.6 | Confident | 169 Ų | 169 | 68.3 Ų | 68.3 | 64% | 0.638 | 35% | 0.345 | S | S | * | . | trans | -71.8 | 161.2 | 169.3 | -60.8 | 174.4 | -69.1 | 175.4 | -1.6 | 110.2 | N310 E311 L312 | R308-N310 VanDerWaalsContact C-N 3.26Å; R308-N310 PolarHBondContact O-N 2.64Å; R308-N310 VanDerWaalsContact O-N 3.11Å; R308-E311 VanDerWaalsContact CB-OE2 3.23Å; R308-E311 WeakPolarHBondContact CB-OE2 3.5Å; R308-E311 VanDerWaalsContact CG-OE2 3.32Å; R308-E311 WeakPolarHBondContact CG-OE2 3.33Å; R308-E311 IonicContact CZ-OE1 3.72Å; R308-E311 IonicContact CZ-OE2 3.29Å; R308-E311 PolarHBondContact N-OE2 2.87Å; R308-E311 VanDerWaalsContact NE-CD 3.33Å; R308-E311 IonicContact NE-OE1 3.2Å; R308-E311 PolarHBondContact NE-OE1 2.64Å; R308-E311 IonicContact NE-OE2 3.04Å; R308-E311 PolarHBondContact NE-OE2 3.34Å; R308-E311 IonicContact NH2-OE1 3.18Å; R308-E311 PolarHBondContact NH2-OE1 2.9Å; R308-E311 IonicContact NH2-OE2 3.26Å; R308-E311 WeakPolarHBondContact O-CA 3.43Å; R308-E311 WeakPolarHBondContact O-CB 3.4Å; R308-E311 PolarHBondContact O-N 2.74Å; R308-L312 PolarHBondContact O-N 2.98Å | ||
| 309 | A | 87.6 | Confident | 88.8 | Confident | 75 Ų | 75 | 70.6 Ų | 70.6 | 62% | 0.62 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -51.5 | -40.6 | -179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | L312 D313 | A309-L312 PolarHBondContact O-N 3.03Å; A309-D313 PolarHBondContact O-N 3.25Å; A309-D313 VanDerWaalsContact O-N 3.14Å |
| 310 | N | 87.7 | Confident | 89.2 | Confident | 118 Ų | 118 | 66.2 Ų | 66.2 | 63% | 0.631 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -69.2 | -37 | 177.3 | -67.7 | -19.5 | 0 | 0 | 0 | 112.7 | R308 D313 E314 | R308-N310 VanDerWaalsContact C-N 3.26Å; R308-N310 PolarHBondContact O-N 2.64Å; R308-N310 VanDerWaalsContact O-N 3.11Å; N310-D313 PolarHBondContact O-N 2.89Å; N310-E314 PolarHBondContact O-N 3.43Å; N310-E314 VanDerWaalsContact O-N 3.13Å |
| 311 | E | 90.7 | Very high | 89.8 | Confident | 10 Ų | 10 | 61.6 Ų | 61.6 | 5% | 0.047 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -71.9 | -34.1 | 177.6 | -68.7 | 162.4 | 158.1 | 0 | 0 | 110.6 | L307 R308 E314 W315 L390 | L307-E311 HydrophobicContact CB-CB 4.08Å; L307-E311 HydrophobicContact CD2-CB 4.14Å; R308-E311 VanDerWaalsContact CB-OE2 3.23Å; R308-E311 WeakPolarHBondContact CB-OE2 3.5Å; R308-E311 VanDerWaalsContact CG-OE2 3.32Å; R308-E311 WeakPolarHBondContact CG-OE2 3.33Å; R308-E311 IonicContact CZ-OE1 3.72Å; R308-E311 IonicContact CZ-OE2 3.29Å; R308-E311 PolarHBondContact N-OE2 2.87Å; R308-E311 VanDerWaalsContact NE-CD 3.33Å; R308-E311 IonicContact NE-OE1 3.2Å; R308-E311 PolarHBondContact NE-OE1 2.64Å; R308-E311 IonicContact NE-OE2 3.04Å; R308-E311 PolarHBondContact NE-OE2 3.34Å; R308-E311 IonicContact NH2-OE1 3.18Å; R308-E311 PolarHBondContact NH2-OE1 2.9Å; R308-E311 IonicContact NH2-OE2 3.26Å; R308-E311 WeakPolarHBondContact O-CA 3.43Å; R308-E311 WeakPolarHBondContact O-CB 3.4Å; R308-E311 PolarHBondContact O-N 2.74Å; E311-E314 PolarHBondContact O-N 3.09Å; E311-W315 WeakPolarHBondContact O-CB 3.46Å; E311-W315 PolarHBondContact O-N 2.84Å; E311-L390 HydrophobicContact CB-CD1 4.08Å; E311-L390 WeakPolarHBondContact O-CD1 3.48Å |
| 312 | L | 90.8 | Very high | 90.5 | Very high | 44 Ų | 44 | 55.2 Ų | 55.2 | 23% | 0.23 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 174.3 | -171.6 | 65.7 | 0 | 0 | 0 | 112 | I304 L307 R308 A309 E314 W315 R316 | I304-L312 HydrophobicContact CB-CD1 4.49Å; I304-L312 HydrophobicContact CD1-CD1 4.07Å; L307-L312 HydrophobicContact CD1-CD1 4.5Å; R308-L312 PolarHBondContact O-N 2.98Å; A309-L312 PolarHBondContact O-N 3.03Å; L312-E314 VanDerWaalsContact C-N 3.35Å; L312-W315 PolarHBondContact O-N 2.91Å; L312-R316 VanDerWaalsContact CD2-NH2 3.31Å; L312-R316 WeakPolarHBondContact O-CG 3.14Å; L312-R316 PolarHBondContact O-N 3.06Å; L312-R316 VanDerWaalsContact O-N 3.11Å |
| 313 | D | 89.6 | Confident | 91 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 26% | 0.257 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.4 | -39.3 | 171.9 | -77.8 | -19.2 | 0 | 0 | 0 | 112.3 | R108 A309 N310 R316 V317 | R108-D313 IonicContact CZ-OD2 3.98Å; R108-D313 IonicContact NH2-OD2 3.21Å; R108-D313 PolarHBondContact NH2-OD2 3.38Å; A309-D313 PolarHBondContact O-N 3.25Å; A309-D313 VanDerWaalsContact O-N 3.14Å; N310-D313 PolarHBondContact O-N 2.89Å; D313-R316 PolarHBondContact O-N 3.43Å; D313-R316 IonicContact OD1-NH1 2.86Å; D313-R316 PolarHBondContact OD1-NH1 3.03Å; D313-V317 WeakPolarHBondContact O-CG2 3.28Å; D313-V317 PolarHBondContact O-N 3.15Å |
| 314 | E | 91.9 | Very high | 91.4 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 20% | 0.196 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -69.2 | -36.4 | 177 | -162.6 | 174.7 | -145.4 | 0 | 0 | 111.9 | N310 E311 L312 V317 L318 I386 S387 L390 | N310-E314 PolarHBondContact O-N 3.43Å; N310-E314 VanDerWaalsContact O-N 3.13Å; E311-E314 PolarHBondContact O-N 3.09Å; L312-E314 VanDerWaalsContact C-N 3.35Å; E314-V317 WeakPolarHBondContact O-CB 3.16Å; E314-V317 PolarHBondContact O-N 2.95Å; E314-V317 VanDerWaalsContact O-N 3.15Å; E314-L318 PolarHBondContact O-N 3.36Å; E314-I386 HydrophobicContact CG-CG2 4.37Å; E314-S387 VanDerWaalsContact CD-OG 3.31Å; E314-S387 VanDerWaalsContact OE1-CB 3.25Å; E314-S387 WeakPolarHBondContact OE1-CB 3.41Å; E314-S387 PolarHBondContact OE1-N 3.13Å; E314-S387 PolarHBondContact OE1-OG 2.75Å; E314-S387 PolarHBondContact OE2-OG 3.27Å; E314-L390 HydrophobicContact CB-CD2 3.93Å; E314-L390 HydrophobicContact CG-CD2 3.72Å; E314-L390 WeakPolarHBondContact OE2-CB 3.48Å |
| 315 | W | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 48.5 Ų | 48.5 | 1% | 0.011 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58.6 | -46 | 170.7 | 167 | -115.1 | 0 | 0 | 0 | 112 | F298 P302 I304 L307 E311 L312 V317 L318 Q319 L390 L394 | F298-W315 HydrophobicContact CB-CH2 4.1Å; F298-W315 HydrophobicContact CB-CZ3 4.39Å; F298-W315 AromaticContact CD1-CH2 3.86Å; F298-W315 HydrophobicContact CD1-CH2 3.86Å; F298-W315 AromaticContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CD1-CZ3 3.67Å; F298-W315 HydrophobicContact CE1-CZ3 4.13Å; F298-W315 HydrophobicContact CG-CH2 4.23Å; F298-W315 HydrophobicContact CG-CZ3 4.09Å; P302-W315 VanDerWaalsContact CD-CH2 3.41Å; P302-W315 HydrophobicContact CG-CH2 3.66Å; P302-W315 HydrophobicContact CG-CZ2 3.98Å; P302-W315 HydrophobicContact CG-CZ3 4.08Å; I304-W315 HydrophobicContact CG2-CD2 4.47Å; I304-W315 HydrophobicContact CG2-CG 4.38Å; L307-W315 HydrophobicContact CD1-CB 4.06Å; L307-W315 HydrophobicContact CD1-CG 4.37Å; E311-W315 WeakPolarHBondContact O-CB 3.46Å; E311-W315 PolarHBondContact O-N 2.84Å; L312-W315 PolarHBondContact O-N 2.91Å; W315-V317 PolarHBondContact O-N 3.23Å; W315-L318 HydrophobicContact CE3-CB 4.39Å; W315-L318 HydrophobicContact CE3-CD2 3.95Å; W315-L318 HydrophobicContact CE3-CG 4.41Å; W315-L318 HydrophobicContact CZ3-CD2 3.92Å; W315-L318 HydrophobicContact CZ3-CG 4.33Å; W315-L318 WeakPolarHBondContact O-CB 3.29Å; W315-L318 PolarHBondContact O-N 3.42Å; W315-L318 VanDerWaalsContact O-N 3.09Å; W315-Q319 HydrophobicContact CD2-CG 3.9Å; W315-Q319 VanDerWaalsContact CE2-CG 3.42Å; W315-Q319 HydrophobicContact CE3-CG 4.23Å; W315-Q319 HydrophobicContact CH2-CG 3.72Å; W315-Q319 HydrophobicContact CZ2-CG 3.35Å; W315-Q319 HydrophobicContact CZ3-CG 4.14Å; W315-Q319 VanDerWaalsContact NE1-OE1 3.14Å; W315-Q319 WeakPolarHBondContact O-CG 3.3Å; W315-Q319 PolarHBondContact O-N 3.16Å; W315-L390 HydrophobicContact CB-CD1 4.35Å; W315-L394 HydrophobicContact CE3-CD2 3.56Å; W315-L394 HydrophobicContact CH2-CD2 4.37Å; W315-L394 HydrophobicContact CZ3-CD2 3.5Å; W315-L394 VanDerWaalsContact CZ3-CD2 3.5Å |
| 316 | R | 92 | Very high | 91.9 | Very high | 125 Ų | 125 | 48.6 Ų | 48.6 | 47% | 0.472 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -59.8 | -36.9 | 174.9 | -69.8 | 174.3 | -174 | 113.8 | 5.2 | 112 | L312 D313 A320 | L312-R316 VanDerWaalsContact CD2-NH2 3.31Å; L312-R316 WeakPolarHBondContact O-CG 3.14Å; L312-R316 PolarHBondContact O-N 3.06Å; L312-R316 VanDerWaalsContact O-N 3.11Å; D313-R316 PolarHBondContact O-N 3.43Å; D313-R316 IonicContact OD1-NH1 2.86Å; D313-R316 PolarHBondContact OD1-NH1 3.03Å; R316-A320 WeakPolarHBondContact O-CB 3.48Å; R316-A320 PolarHBondContact O-N 3.37Å |
| 317 | V | 92 | Very high | 92.1 | Very high | 22 Ų | 22 | 48.3 Ų | 48.3 | 13% | 0.133 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.3 | -46.5 | 174.2 | 171.1 | 0 | 0 | 0 | 0 | 110.6 | L107 M111 D313 E314 W315 Q319 A320 V321 I386 | L107-V317 HydrophobicContact CD2-CG1 4.35Å; L107-V317 HydrophobicContact CD2-CG2 4.17Å; M111-V317 HydrophobicContact CE-CB 4.3Å; M111-V317 HydrophobicContact CE-CG1 3.87Å; M111-V317 HydrophobicContact CE-CG2 4.45Å; M111-V317 HydrophobicContact SD-CG1 3.98Å; D313-V317 WeakPolarHBondContact O-CG2 3.28Å; D313-V317 PolarHBondContact O-N 3.15Å; E314-V317 WeakPolarHBondContact O-CB 3.16Å; E314-V317 PolarHBondContact O-N 2.95Å; E314-V317 VanDerWaalsContact O-N 3.15Å; W315-V317 PolarHBondContact O-N 3.23Å; V317-Q319 PolarHBondContact O-N 2.66Å; V317-A320 PolarHBondContact O-N 2.92Å; V317-V321 HydrophobicContact CG1-CG2 4.36Å; V317-V321 WeakPolarHBondContact O-CG2 3.31Å; V317-V321 PolarHBondContact O-N 3.33Å; V317-I386 HydrophobicContact CG1-CG1 4.4Å |
| 318 | L | 94.1 | Very high | 92.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -59 | -46.5 | 176 | 177.5 | 57.6 | 0 | 0 | 0 | 112 | I289 F298 E314 W315 A320 V321 C322 I386 L390 I391 | I289-L318 HydrophobicContact CD1-CD1 4.4Å; I289-L318 HydrophobicContact CG1-CD1 4.15Å; I289-L318 HydrophobicContact CG2-CD1 3.76Å; F298-L318 HydrophobicContact CD2-CD1 4.32Å; F298-L318 HydrophobicContact CD2-CD2 4.21Å; F298-L318 HydrophobicContact CD2-CG 4.27Å; F298-L318 HydrophobicContact CE1-CD2 4.36Å; F298-L318 HydrophobicContact CE2-CD1 4.12Å; F298-L318 HydrophobicContact CE2-CD2 3.78Å; F298-L318 HydrophobicContact CE2-CG 4.23Å; F298-L318 HydrophobicContact CZ-CD2 3.87Å; E314-L318 PolarHBondContact O-N 3.36Å; W315-L318 HydrophobicContact CE3-CB 4.39Å; W315-L318 HydrophobicContact CE3-CD2 3.95Å; W315-L318 HydrophobicContact CE3-CG 4.41Å; W315-L318 HydrophobicContact CZ3-CD2 3.92Å; W315-L318 HydrophobicContact CZ3-CG 4.33Å; W315-L318 WeakPolarHBondContact O-CB 3.29Å; W315-L318 PolarHBondContact O-N 3.42Å; W315-L318 VanDerWaalsContact O-N 3.09Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.45Å; L318-V321 PolarHBondContact O-N 3.36Å; L318-C322 PolarHBondContact O-N 2.88Å; L318-C322 PolarHBondContact O-SG 3.41Å; L318-I386 HydrophobicContact CB-CD1 3.97Å; L318-I386 HydrophobicContact CD1-CD1 3.75Å; L318-I386 HydrophobicContact CG-CD1 4.44Å; L318-L390 HydrophobicContact CD2-CD2 4.31Å; L318-I391 HydrophobicContact CD2-CD1 3.71Å |
| 319 | Q | 92.5 | Very high | 92.5 | Very high | 55 Ų | 55 | 48 Ų | 48 | 26% | 0.257 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -58 | -45.9 | 175.8 | -72.8 | -176.5 | -58.9 | 0 | 0 | 111.8 | E301 W315 V317 C322 G323 | E301-Q319 PolarHBondContact OE1-NE2 2.73Å; W315-Q319 HydrophobicContact CD2-CG 3.9Å; W315-Q319 VanDerWaalsContact CE2-CG 3.42Å; W315-Q319 HydrophobicContact CE3-CG 4.23Å; W315-Q319 HydrophobicContact CH2-CG 3.72Å; W315-Q319 HydrophobicContact CZ2-CG 3.35Å; W315-Q319 HydrophobicContact CZ3-CG 4.14Å; W315-Q319 VanDerWaalsContact NE1-OE1 3.14Å; W315-Q319 WeakPolarHBondContact O-CG 3.3Å; W315-Q319 PolarHBondContact O-N 3.16Å; V317-Q319 PolarHBondContact O-N 2.66Å; Q319-C322 PolarHBondContact O-N 3.03Å; Q319-G323 PolarHBondContact O-N 2.81Å |
| 320 | A | 92.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 45.1 Ų | 45.1 | 29% | 0.289 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -65 | -42.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | M111 F115 R316 V317 L318 G323 K324 | M111-A320 HydrophobicContact CE-CB 3.42Å; M111-A320 VanDerWaalsContact CE-CB 3.42Å; F115-A320 HydrophobicContact CE1-CB 3.86Å; F115-A320 VanDerWaalsContact CE1-O 3.24Å; F115-A320 WeakPolarHBondContact CE1-O 3.46Å; F115-A320 HydrophobicContact CZ-CB 3.91Å; F115-A320 WeakPolarHBondContact CZ-O 3.19Å; R316-A320 WeakPolarHBondContact O-CB 3.48Å; R316-A320 PolarHBondContact O-N 3.37Å; V317-A320 PolarHBondContact O-N 2.92Å; L318-A320 VanDerWaalsContact C-N 3.35Å; L318-A320 PolarHBondContact O-N 3.45Å; A320-G323 PolarHBondContact O-N 3.23Å; A320-K324 PolarHBondContact O-N 3.27Å |
| 321 | V | 94.5 | Very high | 92.9 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.9 | -50.9 | 174.7 | 168.8 | 0 | 0 | 0 | 0 | 110.9 | M111 V317 L318 G323 K324 F325 L379 L382 V383 | M111-V321 HydrophobicContact CE-CG2 4.13Å; V317-V321 HydrophobicContact CG1-CG2 4.36Å; V317-V321 WeakPolarHBondContact O-CG2 3.31Å; V317-V321 PolarHBondContact O-N 3.33Å; L318-V321 PolarHBondContact O-N 3.36Å; V321-G323 VanDerWaalsContact C-N 3.3Å; V321-G323 PolarHBondContact O-N 2.9Å; V321-K324 PolarHBondContact O-N 3.15Å; V321-K324 VanDerWaalsContact O-N 3.17Å; V321-F325 HydrophobicContact CG1-CD2 3.79Å; V321-F325 HydrophobicContact CG1-CE2 3.57Å; V321-F325 VanDerWaalsContact O-CD2 3.26Å; V321-F325 WeakPolarHBondContact O-CD2 3.38Å; V321-F325 PolarHBondContact O-N 3.48Å; V321-L379 HydrophobicContact CG1-CD2 4.39Å; V321-L382 HydrophobicContact CG2-CB 3.73Å; V321-L382 HydrophobicContact CG2-CD1 4.09Å; V321-V383 HydrophobicContact CG1-CG2 3.73Å |
| 322 | C | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 42.7 Ų | 42.7 | 1% | 0.014 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62.3 | -37.2 | 176.5 | -70.2 | 0 | 0 | 0 | 0 | 112.3 | L318 Q319 K324 F325 R326 | L318-C322 PolarHBondContact O-N 2.88Å; L318-C322 PolarHBondContact O-SG 3.41Å; Q319-C322 PolarHBondContact O-N 3.03Å; C322-K324 VanDerWaalsContact C-N 3.34Å; C322-F325 PolarHBondContact O-N 3.44Å; C322-R326 PolarHBondContact O-N 3.07Å; C322-R326 VanDerWaalsContact O-N 3.17Å |
| 323 | G | 93.2 | Very high | 92.8 | Very high | 23 Ų | 23 | 41 Ų | 41 | 24% | 0.237 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -59.9 | -43.8 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q319 A320 V321 R326 E327 | Q319-G323 PolarHBondContact O-N 2.81Å; A320-G323 PolarHBondContact O-N 3.23Å; V321-G323 VanDerWaalsContact C-N 3.3Å; V321-G323 PolarHBondContact O-N 2.9Å; G323-R326 WeakPolarHBondContact O-CB 3.37Å; G323-R326 PolarHBondContact O-N 3.25Å; G323-E327 PolarHBondContact O-N 3.33Å |
| 324 | K | 94.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 38.7 Ų | 38.7 | 2% | 0.017 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -71.4 | -34.6 | 179.8 | -168.2 | 53.6 | 169.2 | 177.3 | 0 | 113.4 | F114 F115 S118 A320 V321 C322 R326 E327 L328 L379 | F114-K324 HydrophobicContact CE1-CG 4.13Å; F115-K324 HydrophobicContact CE1-CB 3.71Å; F115-K324 HydrophobicContact CE1-CG 4.23Å; F115-K324 HydrophobicContact CZ-CB 3.95Å; F115-K324 HydrophobicContact CZ-CG 4.46Å; S118-K324 VanDerWaalsContact CB-NZ 3.32Å; S118-K324 VanDerWaalsContact OG-CE 3.28Å; S118-K324 WeakPolarHBondContact OG-CE 3.3Å; S118-K324 PolarHBondContact OG-NZ 2.88Å; A320-K324 PolarHBondContact O-N 3.27Å; V321-K324 PolarHBondContact O-N 3.15Å; V321-K324 VanDerWaalsContact O-N 3.17Å; C322-K324 VanDerWaalsContact C-N 3.34Å; K324-R326 VanDerWaalsContact C-N 3.29Å; K324-R326 PolarHBondContact O-N 2.95Å; K324-E327 HydrophobicContact CD-CB 4.23Å; K324-E327 WeakPolarHBondContact CD-OE2 3.3Å; K324-E327 IonicContact NZ-OE1 3.5Å; K324-E327 PolarHBondContact NZ-OE1 3.36Å; K324-E327 IonicContact NZ-OE2 3.6Å; K324-E327 PolarHBondContact NZ-OE2 2.83Å; K324-E327 PolarHBondContact O-N 3.37Å; K324-L328 HydrophobicContact CD-CG 4.36Å; K324-L328 HydrophobicContact CG-CD1 4.4Å; K324-L328 WeakPolarHBondContact O-CB 3.3Å; K324-L328 WeakPolarHBondContact O-CG 3.45Å; K324-L328 PolarHBondContact O-N 3.47Å; K324-L379 HydrophobicContact CB-CD1 4.41Å; K324-L379 HydrophobicContact CB-CD2 3.77Å; K324-L379 HydrophobicContact CG-CD1 4.13Å; K324-L379 HydrophobicContact CG-CD2 3.76Å; K324-L379 HydrophobicContact CG-CG 4.36Å |
| 325 | F | 95.7 | Very high | 93 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -57 | -43.3 | 168.9 | -87.9 | -63.6 | 0 | 0 | 0 | 111.9 | L290 A293 V321 C322 Q329 V330 Y335 L338 L379 V383 | L290-F325 HydrophobicContact CD2-CE1 4.38Å; L290-F325 HydrophobicContact CD2-CE2 4.33Å; L290-F325 HydrophobicContact CD2-CZ 3.74Å; A293-F325 HydrophobicContact CB-CB 4.34Å; A293-F325 HydrophobicContact CB-CD2 3.91Å; A293-F325 HydrophobicContact CB-CG 4.19Å; V321-F325 HydrophobicContact CG1-CD2 3.79Å; V321-F325 HydrophobicContact CG1-CE2 3.57Å; V321-F325 VanDerWaalsContact O-CD2 3.26Å; V321-F325 WeakPolarHBondContact O-CD2 3.38Å; V321-F325 PolarHBondContact O-N 3.48Å; C322-F325 PolarHBondContact O-N 3.44Å; F325-Q329 PolarHBondContact O-N 3.5Å; F325-V330 HydrophobicContact CD1-CB 4.07Å; F325-V330 HydrophobicContact CD1-CG1 4.29Å; F325-V330 HydrophobicContact CD1-CG2 3.68Å; F325-V330 HydrophobicContact CE1-CG2 4.38Å; F325-V330 WeakPolarHBondContact O-CG2 3.4Å; F325-V330 PolarHBondContact O-N 3.14Å; F325-Y335 WeakPolarHBondContact CB-OH 3.47Å; F325-Y335 AromaticContact CD1-CE1 3.81Å; F325-Y335 HydrophobicContact CD1-CE1 3.81Å; F325-Y335 AromaticContact CD1-CZ 3.94Å; F325-Y335 HydrophobicContact CE1-CE1 4.05Å; F325-Y335 HydrophobicContact CG-CE1 4.3Å; F325-L338 HydrophobicContact CE1-CD1 3.67Å; F325-L338 HydrophobicContact CZ-CD1 4.19Å; F325-L379 HydrophobicContact CD1-CD1 3.82Å; F325-L379 HydrophobicContact CD2-CD1 4.3Å; F325-L379 HydrophobicContact CE1-CB 4.15Å; F325-L379 HydrophobicContact CE1-CD1 3.83Å; F325-L379 HydrophobicContact CE2-CB 4.09Å; F325-L379 HydrophobicContact CE2-CD1 4.34Å; F325-L379 HydrophobicContact CG-CD1 4.03Å; F325-L379 HydrophobicContact CZ-CB 3.71Å; F325-L379 HydrophobicContact CZ-CD1 4.1Å; F325-L379 HydrophobicContact CZ-CG 4.49Å; F325-V383 HydrophobicContact CE2-CG2 3.87Å; F325-V383 HydrophobicContact CZ-CG2 4.31Å |
| 326 | R | 94.2 | Very high | 93 | Very high | 95 Ų | 95 | 37.1 Ų | 37.1 | 36% | 0.358 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -68.3 | -42.5 | 174.9 | -71 | -171.7 | -65.4 | -90.4 | 3.7 | 112.8 | N296 C322 G323 K324 L328 Q329 | N296-R326 VanDerWaalsContact OD1-CD 3.3Å; N296-R326 WeakPolarHBondContact OD1-CD 3.35Å; C322-R326 PolarHBondContact O-N 3.07Å; C322-R326 VanDerWaalsContact O-N 3.17Å; G323-R326 WeakPolarHBondContact O-CB 3.37Å; G323-R326 PolarHBondContact O-N 3.25Å; K324-R326 VanDerWaalsContact C-N 3.29Å; K324-R326 PolarHBondContact O-N 2.95Å; R326-L328 VanDerWaalsContact C-N 3.34Å; R326-L328 PolarHBondContact O-N 2.95Å; R326-Q329 WeakPolarHBondContact O-CA 3.3Å; R326-Q329 PolarHBondContact O-N 2.83Å |
| 327 | E | 92.9 | Very high | 93 | Very high | 120 Ų | 120 | 31.4 Ų | 31.4 | 56% | 0.561 | 16% | 0.164 | S | C | * | . | H | α-helix | trans | -61.4 | -42.1 | 179.3 | -170.3 | -162.5 | 143.7 | 0 | 0 | 111.8 | G323 K324 Q329 | G323-E327 PolarHBondContact O-N 3.33Å; K324-E327 HydrophobicContact CD-CB 4.23Å; K324-E327 WeakPolarHBondContact CD-OE2 3.3Å; K324-E327 IonicContact NZ-OE1 3.5Å; K324-E327 PolarHBondContact NZ-OE1 3.36Å; K324-E327 IonicContact NZ-OE2 3.6Å; K324-E327 PolarHBondContact NZ-OE2 2.83Å; K324-E327 PolarHBondContact O-N 3.37Å; E327-Q329 PolarHBondContact O-N 2.75Å |
| 328 | L | 93 | Very high | 93.1 | Very high | 26 Ų | 26 | 30.3 Ų | 30.3 | 14% | 0.136 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -7.6 | 174.1 | -68.6 | 177.7 | 0 | 0 | 0 | 113 | K324 R326 V330 R372 M375 L376 L379 | K324-L328 HydrophobicContact CD-CG 4.36Å; K324-L328 HydrophobicContact CG-CD1 4.4Å; K324-L328 WeakPolarHBondContact O-CB 3.3Å; K324-L328 WeakPolarHBondContact O-CG 3.45Å; K324-L328 PolarHBondContact O-N 3.47Å; R326-L328 VanDerWaalsContact C-N 3.34Å; R326-L328 PolarHBondContact O-N 2.95Å; L328-V330 VanDerWaalsContact C-N 3.31Å; L328-V330 HydrophobicContact CB-CG2 3.87Å; L328-V330 PolarHBondContact O-N 3.09Å; L328-R372 PolarHBondContact O-NH1 3.09Å; L328-R372 PolarHBondContact O-NH2 2.58Å; L328-R372 VanDerWaalsContact O-NH2 3.12Å; L328-M375 HydrophobicContact CD1-CB 3.92Å; L328-L376 HydrophobicContact CD1-CD2 4.49Å; L328-L379 HydrophobicContact CD1-CD1 3.72Å |
| 329 | Q | 94.2 | Very high | 93.1 | Very high | 160 Ų | 160 | 30.6 Ų | 30.6 | 75% | 0.748 | 16% | 0.159 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 55.5 | -173.7 | -59.4 | -177.7 | 0.3 | 0 | 0 | 110.8 | F325 R326 E327 D331 R372 | F325-Q329 PolarHBondContact O-N 3.5Å; R326-Q329 WeakPolarHBondContact O-CA 3.3Å; R326-Q329 PolarHBondContact O-N 2.83Å; E327-Q329 PolarHBondContact O-N 2.75Å; Q329-D331 PolarHBondContact O-N 3Å; Q329-R372 PolarHBondContact O-NH2 3.32Å |
| 330 | V | 94 | Very high | 93.2 | Very high | 15 Ų | 15 | 28.4 Ų | 28.4 | 9% | 0.091 | 15% | 0.149 | C | C | . | . | trans | -63.5 | 124.4 | -178.7 | -179.7 | 0 | 0 | 0 | 0 | 109.5 | F325 L328 E334 Y335 L376 | F325-V330 HydrophobicContact CD1-CB 4.07Å; F325-V330 HydrophobicContact CD1-CG1 4.29Å; F325-V330 HydrophobicContact CD1-CG2 3.68Å; F325-V330 HydrophobicContact CE1-CG2 4.38Å; F325-V330 WeakPolarHBondContact O-CG2 3.4Å; F325-V330 PolarHBondContact O-N 3.14Å; L328-V330 VanDerWaalsContact C-N 3.31Å; L328-V330 HydrophobicContact CB-CG2 3.87Å; L328-V330 PolarHBondContact O-N 3.09Å; V330-E334 VanDerWaalsContact CA-OE2 3.23Å; V330-E334 WeakPolarHBondContact CA-OE2 3.44Å; V330-E334 HydrophobicContact CG1-CB 3.55Å; V330-E334 HydrophobicContact CG1-CG 4.5Å; V330-E334 WeakPolarHBondContact CG1-OE2 3.27Å; V330-Y335 HydrophobicContact CB-CD2 4.29Å; V330-Y335 HydrophobicContact CB-CE2 3.76Å; V330-Y335 HydrophobicContact CG1-CD1 4.37Å; V330-Y335 HydrophobicContact CG1-CD2 3.74Å; V330-Y335 HydrophobicContact CG1-CE1 4.33Å; V330-Y335 HydrophobicContact CG1-CE2 3.7Å; V330-Y335 HydrophobicContact CG1-CG 4.09Å; V330-Y335 VanDerWaalsContact O-CE2 3.26Å; V330-Y335 WeakPolarHBondContact O-CE2 3.32Å; V330-L376 HydrophobicContact CB-CD2 4.39Å; V330-L376 HydrophobicContact CG1-CD2 4.01Å; V330-L376 HydrophobicContact CG2-CD2 3.42Å; V330-L376 VanDerWaalsContact CG2-CD2 3.42Å | ||
| 331 | D | 91.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 26.8 Ų | 26.8 | 10% | 0.096 | 14% | 0.135 | C | C | . | . | trans | -82.3 | 165.8 | -176.6 | 76.4 | 48.6 | 0 | 0 | 0 | 111.6 | Q329 V333 E334 Y335 Y361 Y366 | Q329-D331 PolarHBondContact O-N 3Å; D331-V333 VanDerWaalsContact C-N 3.27Å; D331-V333 PolarHBondContact O-N 3.27Å; D331-V333 VanDerWaalsContact OD1-CA 3.3Å; D331-V333 WeakPolarHBondContact OD1-CA 3.47Å; D331-V333 VanDerWaalsContact OD1-CB 3.31Å; D331-V333 WeakPolarHBondContact OD1-CB 3.15Å; D331-V333 PolarHBondContact OD1-N 3.05Å; D331-E334 PolarHBondContact N-OE2 3.48Å; D331-E334 PolarHBondContact O-N 2.98Å; D331-E334 PolarHBondContact OD1-N 2.93Å; D331-Y335 WeakPolarHBondContact O-CD2 3.44Å; D331-Y335 PolarHBondContact O-N 2.82Å; D331-Y361 PolarHBondContact OD1-OH 3.2Å; D331-Y361 WeakPolarHBondContact OD2-CE1 3.28Å; D331-Y361 PolarHBondContact OD2-OH 3.36Å; D331-Y361 VanDerWaalsContact OD2-OH 3.09Å; D331-Y366 WeakPolarHBondContact CB-OH 3.3Å; D331-Y366 WeakPolarHBondContact OD2-CE2 3.36Å; D331-Y366 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y366 PolarHBondContact OD2-OH 2.96Å | ||
| 332 | P | 89.1 | Confident | 93.2 | Very high | 59 Ų | 59 | 26.8 Ų | 26.8 | 38% | 0.383 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -62.3 | -29.9 | -177.7 | -25.9 | 36.7 | 0 | 0 | 0 | 115 | I231 A336 | I231-P332 HydrophobicContact CB-CB 4.48Å; I231-P332 HydrophobicContact CD1-CB 3.98Å; I231-P332 WeakPolarHBondContact CD1-O 3.45Å; I231-P332 HydrophobicContact CG1-CB 4.4Å; I231-P332 HydrophobicContact CG2-CB 3.39Å; I231-P332 HydrophobicContact CG2-CG 4.39Å; P332-A336 PolarHBondContact O-N 3.49Å |
| 333 | V | 89.4 | Confident | 93.1 | Very high | 8 Ų | 8 | 26.7 Ų | 26.7 | 5% | 0.048 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -72.7 | -42.9 | 179.6 | -179.5 | 0 | 0 | 0 | 0 | 110.2 | I227 I231 D331 Y335 A336 Y337 Y361 | I227-V333 HydrophobicContact CG2-CG1 4.09Å; I231-V333 HydrophobicContact CD1-CB 4.46Å; I231-V333 HydrophobicContact CD1-CG2 4.07Å; D331-V333 VanDerWaalsContact C-N 3.27Å; D331-V333 PolarHBondContact O-N 3.27Å; D331-V333 VanDerWaalsContact OD1-CA 3.3Å; D331-V333 WeakPolarHBondContact OD1-CA 3.47Å; D331-V333 VanDerWaalsContact OD1-CB 3.31Å; D331-V333 WeakPolarHBondContact OD1-CB 3.15Å; D331-V333 PolarHBondContact OD1-N 3.05Å; V333-Y335 VanDerWaalsContact C-N 3.35Å; V333-Y335 PolarHBondContact O-N 3.48Å; V333-A336 WeakPolarHBondContact O-CB 3.34Å; V333-A336 PolarHBondContact O-N 3.03Å; V333-A336 VanDerWaalsContact O-N 3.09Å; V333-Y337 HydrophobicContact CG1-CD2 3.99Å; V333-Y337 HydrophobicContact CG1-CE2 3.66Å; V333-Y337 WeakPolarHBondContact O-CD2 3.41Å; V333-Y337 PolarHBondContact O-N 3.14Å; V333-Y361 HydrophobicContact CB-CE1 3.96Å; V333-Y361 HydrophobicContact CB-CE2 3.92Å; V333-Y361 HydrophobicContact CG1-CD1 4.26Å; V333-Y361 HydrophobicContact CG1-CD2 3.87Å; V333-Y361 HydrophobicContact CG1-CE1 3.97Å; V333-Y361 HydrophobicContact CG1-CE2 3.55Å; V333-Y361 HydrophobicContact CG1-CG 4.21Å; V333-Y361 HydrophobicContact CG2-CE2 4.17Å |
| 334 | E | 92.7 | Very high | 92.9 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.7 | -46.3 | 171.5 | -68.3 | 173.7 | 124.6 | 0 | 0 | 111.3 | V330 D331 A336 Y337 L338 Y361 E362 R372 L376 | V330-E334 VanDerWaalsContact CA-OE2 3.23Å; V330-E334 WeakPolarHBondContact CA-OE2 3.44Å; V330-E334 HydrophobicContact CG1-CB 3.55Å; V330-E334 HydrophobicContact CG1-CG 4.5Å; V330-E334 WeakPolarHBondContact CG1-OE2 3.27Å; D331-E334 PolarHBondContact N-OE2 3.48Å; D331-E334 PolarHBondContact O-N 2.98Å; D331-E334 PolarHBondContact OD1-N 2.93Å; E334-A336 VanDerWaalsContact C-N 3.25Å; E334-A336 PolarHBondContact O-N 3.21Å; E334-Y337 PolarHBondContact O-N 3.44Å; E334-L338 VanDerWaalsContact O-CG 3.3Å; E334-L338 WeakPolarHBondContact O-CG 3.43Å; E334-L338 PolarHBondContact O-N 3.4Å; E334-Y361 HydrophobicContact CG-CD1 4.39Å; E334-Y361 HydrophobicContact CG-CE1 4.04Å; E334-E362 VanDerWaalsContact CG-OE1 3.28Å; E334-E362 WeakPolarHBondContact CG-OE1 3.42Å; E334-R372 VanDerWaalsContact CD-NH2 3.27Å; E334-R372 IonicContact OE1-CZ 3.96Å; E334-R372 IonicContact OE1-NE 3.55Å; E334-R372 PolarHBondContact OE1-NE 2.89Å; E334-R372 IonicContact OE1-NH2 3.37Å; E334-R372 PolarHBondContact OE1-NH2 2.93Å; E334-R372 IonicContact OE2-CZ 3.55Å; E334-R372 IonicContact OE2-NE 2.7Å; E334-R372 IonicContact OE2-NH2 3.99Å; E334-R372 PolarHBondContact OE2-NH2 3.01Å; E334-L376 HydrophobicContact CB-CD1 4.48Å; E334-L376 HydrophobicContact CG-CD1 4.21Å; E334-L376 WeakPolarHBondContact OE1-CD1 3.29Å |
| 335 | Y | 93.9 | Very high | 92.3 | Very high | 10 Ų | 10 | 26.3 Ų | 26.3 | 4% | 0.039 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -57.9 | -38.7 | 173.3 | -84.9 | -64.7 | 0 | 0 | 0 | 112.5 | L290 A293 Q294 F325 V330 D331 V333 L338 K339 | L290-Y335 HydrophobicContact CD2-CD1 4.5Å; A293-Y335 HydrophobicContact CB-CE1 4.01Å; Q294-Y335 HydrophobicContact CB-CD1 3.97Å; Q294-Y335 HydrophobicContact CB-CD2 3.8Å; Q294-Y335 HydrophobicContact CB-CE1 4.01Å; Q294-Y335 HydrophobicContact CB-CE2 3.82Å; Q294-Y335 HydrophobicContact CB-CG 3.87Å; Q294-Y335 HydrophobicContact CG-CD2 3.7Å; Q294-Y335 HydrophobicContact CG-CE2 4.03Å; Q294-Y335 HydrophobicContact CG-CG 4.02Å; Q294-Y335 PolarHBondContact N-OH 3.19Å; F325-Y335 WeakPolarHBondContact CB-OH 3.47Å; F325-Y335 AromaticContact CD1-CE1 3.81Å; F325-Y335 HydrophobicContact CD1-CE1 3.81Å; F325-Y335 AromaticContact CD1-CZ 3.94Å; F325-Y335 HydrophobicContact CE1-CE1 4.05Å; F325-Y335 HydrophobicContact CG-CE1 4.3Å; V330-Y335 HydrophobicContact CB-CD2 4.29Å; V330-Y335 HydrophobicContact CB-CE2 3.76Å; V330-Y335 HydrophobicContact CG1-CD1 4.37Å; V330-Y335 HydrophobicContact CG1-CD2 3.74Å; V330-Y335 HydrophobicContact CG1-CE1 4.33Å; V330-Y335 HydrophobicContact CG1-CE2 3.7Å; V330-Y335 HydrophobicContact CG1-CG 4.09Å; V330-Y335 VanDerWaalsContact O-CE2 3.26Å; V330-Y335 WeakPolarHBondContact O-CE2 3.32Å; D331-Y335 WeakPolarHBondContact O-CD2 3.44Å; D331-Y335 PolarHBondContact O-N 2.82Å; V333-Y335 VanDerWaalsContact C-N 3.35Å; V333-Y335 PolarHBondContact O-N 3.48Å; Y335-L338 PolarHBondContact O-N 3.29Å; Y335-K339 VanDerWaalsContact O-CE 3.3Å; Y335-K339 WeakPolarHBondContact O-CE 3.27Å; Y335-K339 VanDerWaalsContact O-CG 3.3Å; Y335-K339 WeakPolarHBondContact O-CG 3.35Å; Y335-K339 PolarHBondContact O-N 3.23Å |
| 336 | A | 92 | Very high | 91.5 | Very high | 2 Ų | 2 | 29.6 Ų | 29.6 | 2% | 0.017 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.2 | -45.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | I227 I231 P332 V333 E334 L338 K339 I340 | I227-A336 HydrophobicContact CG2-CB 3.36Å; I231-A336 HydrophobicContact CD1-CB 3.82Å; I231-A336 HydrophobicContact CG1-CB 4.04Å; P332-A336 PolarHBondContact O-N 3.49Å; V333-A336 WeakPolarHBondContact O-CB 3.34Å; V333-A336 PolarHBondContact O-N 3.03Å; V333-A336 VanDerWaalsContact O-N 3.09Å; E334-A336 VanDerWaalsContact C-N 3.25Å; E334-A336 PolarHBondContact O-N 3.21Å; A336-L338 VanDerWaalsContact C-N 3.33Å; A336-L338 PolarHBondContact O-N 3.47Å; A336-K339 PolarHBondContact O-N 2.9Å; A336-K339 VanDerWaalsContact O-N 3.14Å; A336-I340 VanDerWaalsContact O-CG1 3.3Å; A336-I340 WeakPolarHBondContact O-CG1 3.39Å; A336-I340 PolarHBondContact O-N 3.1Å |
| 337 | Y | 92.7 | Very high | 91.1 | Very high | 5 Ų | 5 | 28 Ų | 28 | 2% | 0.02 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -59.6 | -42.3 | 174.8 | -77.4 | -60.8 | 0 | 0 | 0 | 112.5 | V224 I227 V333 E334 K339 I340 M341 N357 M358 Y361 | V224-Y337 WeakPolarHBondContact CG2-OH 2.82Å; I227-Y337 HydrophobicContact CD1-CD1 4.16Å; I227-Y337 HydrophobicContact CD1-CE1 3.57Å; I227-Y337 HydrophobicContact CD1-CE2 4.31Å; V333-Y337 HydrophobicContact CG1-CD2 3.99Å; V333-Y337 HydrophobicContact CG1-CE2 3.66Å; V333-Y337 WeakPolarHBondContact O-CD2 3.41Å; V333-Y337 PolarHBondContact O-N 3.14Å; E334-Y337 PolarHBondContact O-N 3.44Å; Y337-K339 VanDerWaalsContact C-N 3.34Å; Y337-K339 PolarHBondContact O-N 3.29Å; Y337-I340 PolarHBondContact O-N 3.39Å; Y337-M341 WeakPolarHBondContact O-CE 3.41Å; Y337-M341 WeakPolarHBondContact O-CG 3.32Å; Y337-M341 PolarHBondContact O-N 3.48Å; Y337-N357 HydrophobicContact CE1-CB 3.64Å; Y337-M358 HydrophobicContact CD1-CB 4.25Å; Y337-M358 HydrophobicContact CD2-CB 3.95Å; Y337-M358 HydrophobicContact CD2-CG 3.89Å; Y337-M358 HydrophobicContact CG-CB 3.78Å; Y337-M358 HydrophobicContact CG-CG 3.97Å; Y337-Y361 HydrophobicContact CE2-CG 4.24Å |
| 338 | L | 94.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.6 | -45.6 | 173.1 | -69 | 171.7 | 0 | 0 | 0 | 112.1 | L290 F325 E334 Y335 A336 M341 V342 Q380 | L290-L338 HydrophobicContact CD1-CB 3.88Å; L290-L338 HydrophobicContact CD2-CB 4.04Å; L290-L338 HydrophobicContact CD2-CD1 4.15Å; F325-L338 HydrophobicContact CE1-CD1 3.67Å; F325-L338 HydrophobicContact CZ-CD1 4.19Å; E334-L338 VanDerWaalsContact O-CG 3.3Å; E334-L338 WeakPolarHBondContact O-CG 3.43Å; E334-L338 PolarHBondContact O-N 3.4Å; Y335-L338 PolarHBondContact O-N 3.29Å; A336-L338 VanDerWaalsContact C-N 3.33Å; A336-L338 PolarHBondContact O-N 3.47Å; L338-M341 HydrophobicContact CD2-CE 3.87Å; L338-M341 HydrophobicContact CG-CE 4.42Å; L338-M341 PolarHBondContact O-N 2.93Å; L338-V342 WeakPolarHBondContact O-CG2 3.36Å; L338-V342 PolarHBondContact O-N 2.99Å; L338-Q380 HydrophobicContact CD2-CB 3.89Å; L338-Q380 HydrophobicContact CD2-CG 4.1Å |
| 339 | K | 94.2 | Very high | 90.3 | Very high | 5 Ų | 5 | 32.3 Ų | 32.3 | 2% | 0.022 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -68 | -40.4 | 177 | -70.3 | 177.4 | -61.3 | -164.5 | 0 | 112.4 | W261 L287 L290 L291 Y335 A336 Y337 M341 V342 L343 | W261-K339 HydrophobicContact CE3-CB 4.33Å; W261-K339 HydrophobicContact CH2-CB 3.54Å; W261-K339 HydrophobicContact CZ2-CB 4.31Å; W261-K339 HydrophobicContact CZ3-CB 3.54Å; L287-K339 HydrophobicContact CD2-CB 3.96Å; L287-K339 HydrophobicContact CD2-CG 4.18Å; L290-K339 HydrophobicContact CB-CD 4.47Å; L290-K339 HydrophobicContact CB-CG 3.93Å; L290-K339 HydrophobicContact CD1-CB 4.48Å; L290-K339 HydrophobicContact CD1-CG 3.77Å; L291-K339 HydrophobicContact CD2-CD 3.9Å; L291-K339 HydrophobicContact CG-CD 4.12Å; Y335-K339 VanDerWaalsContact O-CE 3.3Å; Y335-K339 WeakPolarHBondContact O-CE 3.27Å; Y335-K339 VanDerWaalsContact O-CG 3.3Å; Y335-K339 WeakPolarHBondContact O-CG 3.35Å; Y335-K339 PolarHBondContact O-N 3.23Å; A336-K339 PolarHBondContact O-N 2.9Å; A336-K339 VanDerWaalsContact O-N 3.14Å; Y337-K339 VanDerWaalsContact C-N 3.34Å; Y337-K339 PolarHBondContact O-N 3.29Å; K339-M341 VanDerWaalsContact C-N 3.34Å; K339-M341 PolarHBondContact O-N 3.3Å; K339-V342 PolarHBondContact O-N 3.11Å; K339-L343 PolarHBondContact O-N 2.84Å |
| 340 | I | 93.1 | Very high | 90 | Very high | 10 Ų | 10 | 28 Ų | 28 | 5% | 0.051 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.8 | -45.9 | 175 | -68.6 | 174.2 | 0 | 0 | 0 | 110.1 | I227 W261 A336 Y337 V342 L343 L344 A354 | I227-I340 HydrophobicContact CD1-CD1 3.83Å; I227-I340 HydrophobicContact CG1-CD1 4.16Å; W261-I340 HydrophobicContact CH2-CG1 3.81Å; A336-I340 VanDerWaalsContact O-CG1 3.3Å; A336-I340 WeakPolarHBondContact O-CG1 3.39Å; A336-I340 PolarHBondContact O-N 3.1Å; Y337-I340 PolarHBondContact O-N 3.39Å; I340-V342 PolarHBondContact O-N 3.23Å; I340-L343 PolarHBondContact O-N 2.89Å; I340-L343 VanDerWaalsContact O-N 3.1Å; I340-L344 HydrophobicContact CG2-CD1 3.52Å; I340-L344 HydrophobicContact CG2-CG 4.15Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.34Å; I340-A354 HydrophobicContact CG2-CB 3.93Å |
| 341 | M | 92.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -32.1 | 177.8 | -75.5 | -176.3 | -86.7 | 0 | 0 | 112.9 | Y337 L338 K339 A345 A354 R355 M358 F377 Q380 | Y337-M341 WeakPolarHBondContact O-CE 3.41Å; Y337-M341 WeakPolarHBondContact O-CG 3.32Å; Y337-M341 PolarHBondContact O-N 3.48Å; L338-M341 HydrophobicContact CD2-CE 3.87Å; L338-M341 HydrophobicContact CG-CE 4.42Å; L338-M341 PolarHBondContact O-N 2.93Å; K339-M341 VanDerWaalsContact C-N 3.34Å; K339-M341 PolarHBondContact O-N 3.3Å; M341-A345 WeakPolarHBondContact O-CB 3.5Å; M341-A345 PolarHBondContact O-N 3.22Å; M341-A354 HydrophobicContact CG-CB 3.82Å; M341-R355 HydrophobicContact CG-CG 4.27Å; M341-R355 HydrophobicContact SD-CB 4.43Å; M341-R355 HydrophobicContact SD-CG 3.34Å; M341-R355 WeakPolarHBondContact SD-CG 3.16Å; M341-M358 HydrophobicContact CE-SD 3.55Å; M341-M358 VanDerWaalsContact CE-SD 3.55Å; M341-F377 HydrophobicContact CE-CD1 4.1Å; M341-F377 HydrophobicContact CE-CE1 3.65Å; M341-F377 HydrophobicContact SD-CD1 4.2Å; M341-F377 HydrophobicContact SD-CE1 3.78Å; M341-Q380 VanDerWaalsContact CB-NE2 3.31Å |
| 342 | V | 94.4 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.006 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -69 | -43.5 | 172.9 | 173.9 | 0 | 0 | 0 | 0 | 111 | R283 E286 L287 L290 L338 K339 I340 A345 | R283-V342 HydrophobicContact CB-CG1 4.02Å; E286-V342 HydrophobicContact CB-CG1 3.88Å; E286-V342 HydrophobicContact CB-CG2 4.14Å; L287-V342 HydrophobicContact CD2-CB 3.78Å; L287-V342 HydrophobicContact CD2-CG1 3.72Å; L287-V342 HydrophobicContact CG-CB 4.37Å; L287-V342 HydrophobicContact CG-CG1 3.75Å; L290-V342 HydrophobicContact CD1-CG2 4.03Å; L338-V342 WeakPolarHBondContact O-CG2 3.36Å; L338-V342 PolarHBondContact O-N 2.99Å; K339-V342 PolarHBondContact O-N 3.11Å; I340-V342 PolarHBondContact O-N 3.23Å; V342-A345 WeakPolarHBondContact O-CB 3.47Å; V342-A345 PolarHBondContact O-N 3.49Å |
| 343 | L | 92.3 | Very high | 89.4 | Confident | 0 Ų | 0 | 34 Ų | 34 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -67.6 | -33.1 | 179.4 | -74.3 | -176.3 | 0 | 0 | 0 | 114.1 | W261 P262 V265 F268 I279 L280 L287 K339 I340 A345 | W261-L343 HydrophobicContact CE3-CD1 3.82Å; W261-L343 HydrophobicContact CH2-CD1 4.43Å; W261-L343 HydrophobicContact CZ3-CD1 3.39Å; W261-L343 HydrophobicContact CZ3-CG 4.21Å; P262-L343 HydrophobicContact CB-CD1 3.78Å; P262-L343 HydrophobicContact CB-CD2 3.82Å; P262-L343 HydrophobicContact CB-CG 4.49Å; P262-L343 HydrophobicContact CG-CD1 4.18Å; P262-L343 HydrophobicContact CG-CD2 3.86Å; V265-L343 HydrophobicContact CB-CD1 4.25Å; V265-L343 HydrophobicContact CG2-CD1 3.98Å; F268-L343 HydrophobicContact CB-CD1 4.36Å; F268-L343 HydrophobicContact CD2-CB 3.88Å; F268-L343 HydrophobicContact CD2-CD1 4.47Å; F268-L343 HydrophobicContact CD2-CD2 3.98Å; F268-L343 HydrophobicContact CD2-CG 4.35Å; F268-L343 HydrophobicContact CE2-CB 4.46Å; F268-L343 HydrophobicContact CE2-CD2 3.88Å; F268-L343 HydrophobicContact CG-CB 4.38Å; F268-L343 HydrophobicContact CG-CD1 4.23Å; F268-L343 HydrophobicContact CG-CD2 4.37Å; F268-L343 HydrophobicContact CZ-CD2 4.19Å; I279-L343 WeakPolarHBondContact CD1-O 3.37Å; L280-L343 HydrophobicContact CD2-CD2 4.15Å; L287-L343 HydrophobicContact CD1-CD2 3.61Å; L287-L343 HydrophobicContact CD1-CG 4.34Å; L287-L343 HydrophobicContact CD2-CD2 4.35Å; L287-L343 HydrophobicContact CD2-CG 4.2Å; K339-L343 PolarHBondContact O-N 2.84Å; I340-L343 PolarHBondContact O-N 2.89Å; I340-L343 VanDerWaalsContact O-N 3.1Å; L343-A345 VanDerWaalsContact C-N 3.35Å |
| 344 | L | 89.1 | Confident | 89.3 | Confident | 4 Ų | 4 | 33.9 Ų | 33.9 | 2% | 0.021 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.1 | 11.3 | -176.9 | -55.2 | 179.8 | 0 | 0 | 0 | 112 | Q267 F268 I340 G346 E347 F350 | Q267-L344 HydrophobicContact CB-CD1 4.03Å; Q267-L344 HydrophobicContact CB-CD2 4.02Å; F268-L344 HydrophobicContact CB-CD2 4.29Å; I340-L344 HydrophobicContact CG2-CD1 3.52Å; I340-L344 HydrophobicContact CG2-CG 4.15Å; I340-L344 WeakPolarHBondContact O-CG 3.5Å; I340-L344 PolarHBondContact O-N 3.34Å; L344-G346 PolarHBondContact O-N 2.98Å; L344-G346 VanDerWaalsContact O-N 3.11Å; L344-E347 PolarHBondContact O-N 3.22Å; L344-E347 VanDerWaalsContact O-N 3.09Å; L344-F350 HydrophobicContact CB-CB 4.04Å; L344-F350 HydrophobicContact CD1-CB 3.83Å; L344-F350 HydrophobicContact CG-CB 4.38Å |
| 345 | A | 83.6 | Confident | 89.3 | Confident | 15 Ų | 15 | 38.7 Ų | 38.7 | 12% | 0.124 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | 111.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | M341 V342 L343 | M341-A345 WeakPolarHBondContact O-CB 3.5Å; M341-A345 PolarHBondContact O-N 3.22Å; V342-A345 WeakPolarHBondContact O-CB 3.47Å; V342-A345 PolarHBondContact O-N 3.49Å; L343-A345 VanDerWaalsContact C-N 3.35Å |
| 346 | G | 79 | Confident | 89.1 | Confident | 68 Ų | 68 | 40.4 Ų | 40.4 | 70% | 0.701 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 130.4 | -31.8 | -172.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L344 K348 | L344-G346 PolarHBondContact O-N 2.98Å; L344-G346 VanDerWaalsContact O-N 3.11Å; G346-K348 PolarHBondContact O-N 3.45Å |
| 347 | E | 84.2 | Confident | 89 | Confident | 62 Ų | 62 | 41.2 Ų | 41.2 | 29% | 0.29 | 23% | 0.225 | S | C | . | . | trans | -96.2 | 91.4 | 173.1 | -64.5 | -58.4 | 149.4 | 0 | 0 | 109.3 | L271 Q275 L344 T349 F350 E351 | L271-E347 HydrophobicContact CD2-CG 3.95Å; Q275-E347 PolarHBondContact NE2-OE1 3.12Å; Q275-E347 VanDerWaalsContact NE2-OE1 3.13Å; L344-E347 PolarHBondContact O-N 3.22Å; L344-E347 VanDerWaalsContact O-N 3.09Å; E347-T349 PolarHBondContact O-N 3.23Å; E347-T349 VanDerWaalsContact O-N 3.13Å; E347-F350 HydrophobicContact CB-CB 4.11Å; E347-F350 HydrophobicContact CB-CD2 3.53Å; E347-F350 HydrophobicContact CB-CE2 4.42Å; E347-F350 HydrophobicContact CB-CG 4.26Å; E347-F350 HydrophobicContact CG-CD2 3.95Å; E347-F350 HydrophobicContact CG-CE2 4.48Å; E347-F350 PolarHBondContact O-N 3.33Å; E347-F350 VanDerWaalsContact O-N 3.09Å; E347-E351 PolarHBondContact O-N 2.61Å | ||
| 348 | K | 84.3 | Confident | 88.9 | Confident | 144 Ų | 144 | 41 Ų | 41 | 63% | 0.626 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -51.4 | -42.1 | -171.7 | -177.1 | 179.6 | 172.3 | -173.4 | 0 | 112.8 | G346 E352 | G346-K348 PolarHBondContact O-N 3.45Å; K348-E352 WeakPolarHBondContact CE-OE1 3.17Å; K348-E352 HydrophobicContact CG-CG 4.38Å; K348-E352 IonicContact NZ-OE1 3.57Å; K348-E352 VanDerWaalsContact O-CB 3.29Å; K348-E352 WeakPolarHBondContact O-CB 3.5Å; K348-E352 WeakPolarHBondContact O-CG 3.45Å; K348-E352 PolarHBondContact O-N 3.47Å |
| 349 | T | 86.1 | Confident | 88.7 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 57% | 0.571 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -64.3 | -47.1 | -179.6 | 47.8 | 0 | 0 | 0 | 0 | 112 | E347 E352 N353 | E347-T349 PolarHBondContact O-N 3.23Å; E347-T349 VanDerWaalsContact O-N 3.13Å; T349-E352 PolarHBondContact O-N 3.48Å; T349-N353 WeakPolarHBondContact O-CB 3.5Å; T349-N353 PolarHBondContact O-N 3.4Å |
| 350 | F | 86.5 | Confident | 88.6 | Confident | 70 Ų | 70 | 44.2 Ų | 44.2 | 31% | 0.307 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -69.4 | -38.8 | 179.5 | -66.3 | -45.9 | 0 | 0 | 0 | 112.2 | L344 E347 N353 A354 | L344-F350 HydrophobicContact CB-CB 4.04Å; L344-F350 HydrophobicContact CD1-CB 3.83Å; L344-F350 HydrophobicContact CG-CB 4.38Å; E347-F350 HydrophobicContact CB-CB 4.11Å; E347-F350 HydrophobicContact CB-CD2 3.53Å; E347-F350 HydrophobicContact CB-CE2 4.42Å; E347-F350 HydrophobicContact CB-CG 4.26Å; E347-F350 HydrophobicContact CG-CD2 3.95Å; E347-F350 HydrophobicContact CG-CE2 4.48Å; E347-F350 PolarHBondContact O-N 3.33Å; E347-F350 VanDerWaalsContact O-N 3.09Å; F350-N353 PolarHBondContact O-N 2.92Å; F350-A354 WeakPolarHBondContact O-CB 3.17Å; F350-A354 PolarHBondContact O-N 2.59Å |
| 351 | E | 84.8 | Confident | 88.4 | Confident | 37 Ų | 37 | 45 Ų | 45 | 17% | 0.173 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -64.6 | -43.6 | 175.3 | -171.4 | 179.5 | -174.3 | 0 | 0 | 111.7 | E347 A354 R355 | E347-E351 PolarHBondContact O-N 2.61Å; E351-A354 PolarHBondContact O-N 3.48Å; E351-R355 VanDerWaalsContact CD-NH2 3.27Å; E351-R355 WeakPolarHBondContact O-CG 3.27Å; E351-R355 PolarHBondContact O-N 3.38Å; E351-R355 IonicContact OE1-CZ 2.82Å; E351-R355 IonicContact OE1-NE 3.69Å; E351-R355 IonicContact OE1-NH2 3.32Å; E351-R355 PolarHBondContact OE1-NH2 3.34Å; E351-R355 IonicContact OE2-NH2 3.13Å |
| 352 | E | 88.6 | Confident | 88.2 | Confident | 96 Ų | 96 | 45.1 Ų | 45.1 | 45% | 0.449 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.4 | -40.6 | 175.6 | -76.5 | 173.6 | 169.4 | 0 | 0 | 111.8 | K348 T349 R355 A356 | K348-E352 WeakPolarHBondContact CE-OE1 3.17Å; K348-E352 HydrophobicContact CG-CG 4.38Å; K348-E352 IonicContact NZ-OE1 3.57Å; K348-E352 VanDerWaalsContact O-CB 3.29Å; K348-E352 WeakPolarHBondContact O-CB 3.5Å; K348-E352 WeakPolarHBondContact O-CG 3.45Å; K348-E352 PolarHBondContact O-N 3.47Å; T349-E352 PolarHBondContact O-N 3.48Å; E352-R355 PolarHBondContact O-N 2.89Å; E352-A356 WeakPolarHBondContact O-CB 3.07Å; E352-A356 PolarHBondContact O-N 3.44Å |
| 353 | N | 88.6 | Confident | 88.1 | Confident | 85 Ų | 85 | 51.6 Ų | 51.6 | 46% | 0.455 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -64 | -44.5 | 175.9 | -169.9 | 63.8 | 0 | 0 | 0 | 112 | T349 F350 R355 A356 N357 | T349-N353 WeakPolarHBondContact O-CB 3.5Å; T349-N353 PolarHBondContact O-N 3.4Å; F350-N353 PolarHBondContact O-N 2.92Å; N353-R355 VanDerWaalsContact C-N 3.33Å; N353-R355 PolarHBondContact O-N 2.79Å; N353-A356 PolarHBondContact O-N 2.88Å; N353-N357 PolarHBondContact ND2-ND2 2.81Å; N353-N357 WeakPolarHBondContact O-CB 3.5Å; N353-N357 VanDerWaalsContact O-CG 3.22Å; N353-N357 PolarHBondContact O-N 3.28Å |
| 354 | A | 88.7 | Confident | 87.9 | Confident | 5 Ų | 5 | 55.9 Ų | 55.9 | 4% | 0.041 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -41.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | I340 M341 F350 E351 M358 | I340-A354 HydrophobicContact CG2-CB 3.93Å; M341-A354 HydrophobicContact CG-CB 3.82Å; F350-A354 WeakPolarHBondContact O-CB 3.17Å; F350-A354 PolarHBondContact O-N 2.59Å; E351-A354 PolarHBondContact O-N 3.48Å; A354-M358 WeakPolarHBondContact O-CB 3.43Å; A354-M358 PolarHBondContact O-N 3.37Å |
| 355 | R | 91.4 | Very high | 87.9 | Confident | 100 Ų | 100 | 60.5 Ų | 60.5 | 38% | 0.377 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 174.7 | -72.3 | 176 | -169.9 | 170.7 | 4.6 | 112.3 | M341 E351 E352 N353 M358 C359 F377 | M341-R355 HydrophobicContact CG-CG 4.27Å; M341-R355 HydrophobicContact SD-CB 4.43Å; M341-R355 HydrophobicContact SD-CG 3.34Å; M341-R355 WeakPolarHBondContact SD-CG 3.16Å; E351-R355 VanDerWaalsContact CD-NH2 3.27Å; E351-R355 WeakPolarHBondContact O-CG 3.27Å; E351-R355 PolarHBondContact O-N 3.38Å; E351-R355 IonicContact OE1-CZ 2.82Å; E351-R355 IonicContact OE1-NE 3.69Å; E351-R355 IonicContact OE1-NH2 3.32Å; E351-R355 PolarHBondContact OE1-NH2 3.34Å; E351-R355 IonicContact OE2-NH2 3.13Å; E352-R355 PolarHBondContact O-N 2.89Å; N353-R355 VanDerWaalsContact C-N 3.33Å; N353-R355 PolarHBondContact O-N 2.79Å; R355-M358 PolarHBondContact O-N 3.39Å; R355-C359 PolarHBondContact O-N 2.93Å; R355-C359 PolarHBondContact O-SG 2.98Å; R355-C359 VanDerWaalsContact O-SG 3.33Å; R355-F377 HydrophobicContact CB-CZ 4.13Å; R355-F377 HydrophobicContact CG-CE1 4.11Å; R355-F377 HydrophobicContact CG-CZ 4.12Å |
| 356 | A | 90.5 | Very high | 88.3 | Confident | 47 Ų | 47 | 62.2 Ų | 62.2 | 39% | 0.388 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -63.1 | -44.3 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | E352 N353 C359 N360 | E352-A356 WeakPolarHBondContact O-CB 3.07Å; E352-A356 PolarHBondContact O-N 3.44Å; N353-A356 PolarHBondContact O-N 2.88Å; A356-C359 WeakPolarHBondContact O-CB 3.18Å; A356-C359 PolarHBondContact O-N 3.27Å; A356-N360 PolarHBondContact O-N 3.25Å |
| 357 | N | 89.9 | Confident | 88.7 | Confident | 18 Ų | 18 | 62.2 Ų | 62.2 | 10% | 0.096 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.3 | -42.6 | 177.7 | -70.7 | -8.6 | 0 | 0 | 0 | 111.9 | Y337 N353 N360 Y361 | Y337-N357 HydrophobicContact CE1-CB 3.64Å; N353-N357 PolarHBondContact ND2-ND2 2.81Å; N353-N357 WeakPolarHBondContact O-CB 3.5Å; N353-N357 VanDerWaalsContact O-CG 3.22Å; N353-N357 PolarHBondContact O-N 3.28Å; N357-N360 PolarHBondContact O-N 3.48Å; N357-Y361 PolarHBondContact O-N 2.58Å |
| 358 | M | 89.8 | Confident | 89 | Confident | 0 Ų | 0 | 70.4 Ų | 70.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -59.5 | -48.6 | 173 | -166.2 | -178.2 | 115.9 | 0 | 0 | 110.9 | Y337 M341 A354 R355 N360 Y361 E362 P373 L376 F377 | Y337-M358 HydrophobicContact CD1-CB 4.25Å; Y337-M358 HydrophobicContact CD2-CB 3.95Å; Y337-M358 HydrophobicContact CD2-CG 3.89Å; Y337-M358 HydrophobicContact CG-CB 3.78Å; Y337-M358 HydrophobicContact CG-CG 3.97Å; M341-M358 HydrophobicContact CE-SD 3.55Å; M341-M358 VanDerWaalsContact CE-SD 3.55Å; A354-M358 WeakPolarHBondContact O-CB 3.43Å; A354-M358 PolarHBondContact O-N 3.37Å; R355-M358 PolarHBondContact O-N 3.39Å; M358-N360 PolarHBondContact O-N 2.91Å; M358-Y361 WeakPolarHBondContact O-CB 3.38Å; M358-Y361 PolarHBondContact O-N 3.13Å; M358-Y361 VanDerWaalsContact O-N 3.12Å; M358-E362 WeakPolarHBondContact O-CG 3.35Å; M358-E362 PolarHBondContact O-N 2.94Å; M358-P373 HydrophobicContact CE-CB 4.33Å; M358-L376 HydrophobicContact CE-CB 3.59Å; M358-L376 HydrophobicContact CE-CD1 3.45Å; M358-L376 VanDerWaalsContact CE-CD1 3.45Å; M358-L376 HydrophobicContact CE-CG 4.17Å; M358-F377 HydrophobicContact CE-CD1 3.98Å; M358-F377 HydrophobicContact CE-CE1 3.39Å; M358-F377 HydrophobicContact CE-CZ 3.77Å; M358-F377 HydrophobicContact SD-CE1 3.7Å; M358-F377 HydrophobicContact SD-CZ 4.3Å |
| 359 | C | 92 | Very high | 89.2 | Confident | 37 Ų | 37 | 67.4 Ų | 67.4 | 25% | 0.25 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.5 | -32.8 | 176.3 | -72.4 | 0 | 0 | 0 | 0 | 113.4 | R355 A356 K363 | R355-C359 PolarHBondContact O-N 2.93Å; R355-C359 PolarHBondContact O-SG 2.98Å; R355-C359 VanDerWaalsContact O-SG 3.33Å; A356-C359 WeakPolarHBondContact O-CB 3.18Å; A356-C359 PolarHBondContact O-N 3.27Å; C359-K363 VanDerWaalsContact O-CG 3.32Å; C359-K363 WeakPolarHBondContact O-CG 3.34Å; C359-K363 PolarHBondContact O-N 2.85Å |
| 360 | N | 90.2 | Very high | 89.2 | Confident | 37 Ų | 37 | 67.7 Ų | 67.7 | 20% | 0.198 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -73.3 | -40.2 | 175.2 | -73.4 | -14.9 | 0 | 0 | 0 | 111.9 | A356 N357 M358 E362 K363 V364 | A356-N360 PolarHBondContact O-N 3.25Å; N357-N360 PolarHBondContact O-N 3.48Å; M358-N360 PolarHBondContact O-N 2.91Å; N360-E362 VanDerWaalsContact C-N 3.33Å; N360-E362 PolarHBondContact O-N 3.13Å; N360-K363 PolarHBondContact O-N 3.34Å; N360-K363 PolarHBondContact OD1-NZ 3.4Å; N360-K363 VanDerWaalsContact OD1-NZ 3.17Å; N360-V364 WeakPolarHBondContact O-CG2 3.26Å; N360-V364 PolarHBondContact O-N 2.92Å |
| 361 | Y | 89.1 | Confident | 89.4 | Confident | 25 Ų | 25 | 68.5 Ų | 68.5 | 10% | 0.098 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.3 | -46.7 | 171.3 | 178 | -98.4 | 0 | 0 | 0 | 111.3 | V224 D331 V333 E334 Y337 N357 M358 K363 V364 Q365 Y366 | V224-Y361 HydrophobicContact CG1-CD2 4.24Å; V224-Y361 HydrophobicContact CG1-CE2 4.17Å; V224-Y361 HydrophobicContact CG2-CD2 4.1Å; D331-Y361 PolarHBondContact OD1-OH 3.2Å; D331-Y361 WeakPolarHBondContact OD2-CE1 3.28Å; D331-Y361 PolarHBondContact OD2-OH 3.36Å; D331-Y361 VanDerWaalsContact OD2-OH 3.09Å; V333-Y361 HydrophobicContact CB-CE1 3.96Å; V333-Y361 HydrophobicContact CB-CE2 3.92Å; V333-Y361 HydrophobicContact CG1-CD1 4.26Å; V333-Y361 HydrophobicContact CG1-CD2 3.87Å; V333-Y361 HydrophobicContact CG1-CE1 3.97Å; V333-Y361 HydrophobicContact CG1-CE2 3.55Å; V333-Y361 HydrophobicContact CG1-CG 4.21Å; V333-Y361 HydrophobicContact CG2-CE2 4.17Å; E334-Y361 HydrophobicContact CG-CD1 4.39Å; E334-Y361 HydrophobicContact CG-CE1 4.04Å; Y337-Y361 HydrophobicContact CE2-CG 4.24Å; N357-Y361 PolarHBondContact O-N 2.58Å; M358-Y361 WeakPolarHBondContact O-CB 3.38Å; M358-Y361 PolarHBondContact O-N 3.13Å; M358-Y361 VanDerWaalsContact O-N 3.12Å; Y361-K363 PolarHBondContact O-N 3.46Å; Y361-V364 PolarHBondContact O-N 3.28Å; Y361-Q365 HydrophobicContact CD1-CG 4.23Å; Y361-Q365 HydrophobicContact CD2-CG 3.88Å; Y361-Q365 HydrophobicContact CE1-CB 4.23Å; Y361-Q365 HydrophobicContact CE1-CG 3.85Å; Y361-Q365 HydrophobicContact CE2-CG 3.44Å; Y361-Q365 VanDerWaalsContact CE2-CG 3.44Å; Y361-Q365 HydrophobicContact CG-CG 4.25Å; Y361-Q365 VanDerWaalsContact CZ-CG 3.44Å; Y361-Q365 PolarHBondContact O-N 2.95Å; Y361-Y366 HydrophobicContact CE1-CE2 4.22Å |
| 362 | E | 90.1 | Very high | 89.8 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.019 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -58.9 | -42.4 | 177.9 | -69.8 | -49.5 | 121.9 | 0 | 0 | 113 | E334 M358 N360 V364 Y366 R372 P373 | E334-E362 VanDerWaalsContact CG-OE1 3.28Å; E334-E362 WeakPolarHBondContact CG-OE1 3.42Å; M358-E362 WeakPolarHBondContact O-CG 3.35Å; M358-E362 PolarHBondContact O-N 2.94Å; N360-E362 VanDerWaalsContact C-N 3.33Å; N360-E362 PolarHBondContact O-N 3.13Å; E362-V364 PolarHBondContact O-N 3.45Å; E362-Y366 CarbonylContact O-C 3.08Å; E362-Y366 VanDerWaalsContact O-CA 3.29Å; E362-Y366 WeakPolarHBondContact O-CA 3.47Å; E362-Y366 PolarHBondContact O-N 2.89Å; E362-Y366 WeakPolarHBondContact OE2-CD2 3.46Å; E362-R372 WeakPolarHBondContact OE2-CD 3.45Å; E362-R372 WeakPolarHBondContact OE2-CG 3.47Å; E362-R372 IonicContact OE2-NE 3.46Å; E362-R372 PolarHBondContact OE2-NE 3.2Å; E362-P373 HydrophobicContact CB-CG 3.95Å; E362-P373 HydrophobicContact CG-CB 4.39Å; E362-P373 HydrophobicContact CG-CG 3.79Å |
| 363 | K | 90.5 | Very high | 89.9 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 60% | 0.596 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -61 | -29.4 | 176.7 | -72 | 168.2 | -167.9 | 164.5 | 0 | 112.8 | C359 N360 Y361 P367 | C359-K363 VanDerWaalsContact O-CG 3.32Å; C359-K363 WeakPolarHBondContact O-CG 3.34Å; C359-K363 PolarHBondContact O-N 2.85Å; N360-K363 PolarHBondContact O-N 3.34Å; N360-K363 PolarHBondContact OD1-NZ 3.4Å; N360-K363 VanDerWaalsContact OD1-NZ 3.17Å; Y361-K363 PolarHBondContact O-N 3.46Å; K363-P367 WeakPolarHBondContact O-CB 3.49Å |
| 364 | V | 89.1 | Confident | 90 | Very high | 90 Ų | 90 | 65.2 Ų | 65.2 | 55% | 0.545 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -88.8 | -46.6 | -176.9 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | N360 Y361 E362 | N360-V364 WeakPolarHBondContact O-CG2 3.26Å; N360-V364 PolarHBondContact O-N 2.92Å; Y361-V364 PolarHBondContact O-N 3.28Å; E362-V364 PolarHBondContact O-N 3.45Å |
| 365 | Q | 88.6 | Confident | 90.2 | Very high | 101 Ų | 101 | 67 Ų | 67 | 47% | 0.472 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -86 | -35.8 | -174.8 | -62.8 | -64.5 | -15.8 | 0 | 0 | 113.2 | Y361 P367 | Y361-Q365 HydrophobicContact CD1-CG 4.23Å; Y361-Q365 HydrophobicContact CD2-CG 3.88Å; Y361-Q365 HydrophobicContact CE1-CB 4.23Å; Y361-Q365 HydrophobicContact CE1-CG 3.85Å; Y361-Q365 HydrophobicContact CE2-CG 3.44Å; Y361-Q365 VanDerWaalsContact CE2-CG 3.44Å; Y361-Q365 HydrophobicContact CG-CG 4.25Å; Y361-Q365 VanDerWaalsContact CZ-CG 3.44Å; Y361-Q365 PolarHBondContact O-N 2.95Å; Q365-P367 WeakPolarHBondContact O-CD 3.46Å |
| 366 | Y | 91.3 | Very high | 90.4 | Very high | 51 Ų | 51 | 62.3 Ų | 62.3 | 20% | 0.2 | 32% | 0.316 | C | S | . | . | trans | -127.7 | 54.7 | -177.1 | -52.3 | -76.8 | 0 | 0 | 0 | 111.5 | D331 Y361 E362 W368 Q369 | D331-Y366 WeakPolarHBondContact CB-OH 3.3Å; D331-Y366 WeakPolarHBondContact OD2-CE2 3.36Å; D331-Y366 VanDerWaalsContact OD2-CZ 3.3Å; D331-Y366 PolarHBondContact OD2-OH 2.96Å; Y361-Y366 HydrophobicContact CE1-CE2 4.22Å; E362-Y366 CarbonylContact O-C 3.08Å; E362-Y366 VanDerWaalsContact O-CA 3.29Å; E362-Y366 WeakPolarHBondContact O-CA 3.47Å; E362-Y366 PolarHBondContact O-N 2.89Å; E362-Y366 WeakPolarHBondContact OE2-CD2 3.46Å; Y366-W368 PolarHBondContact O-N 3.09Å; Y366-Q369 PolarHBondContact O-N 3.13Å | ||
| 367 | P | 88.9 | Confident | 90.6 | Very high | 68 Ų | 68 | 62.5 Ų | 62.5 | 44% | 0.442 | 31% | 0.308 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -27.3 | -176.7 | 22.6 | -32.9 | 0 | 0 | 0 | 113.1 | K363 Q365 Q369 | K363-P367 WeakPolarHBondContact O-CB 3.49Å; Q365-P367 WeakPolarHBondContact O-CD 3.46Å; P367-Q369 VanDerWaalsContact C-N 3.32Å |
| 368 | W | 89.4 | Confident | 90.7 | Very high | 233 Ų | 233 | 62.6 Ų | 62.6 | 88% | 0.883 | 31% | 0.313 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -11.7 | 179.5 | -25.8 | 104.2 | 0 | 0 | 0 | 113.6 | Y366 | Y366-W368 PolarHBondContact O-N 3.09Š|
| 369 | Q | 89.1 | Confident | 90.9 | Very high | 82 Ų | 82 | 62.6 Ų | 62.6 | 38% | 0.383 | 31% | 0.313 | S | S | . | . | trans | -114.6 | 64.5 | -174.8 | -54.7 | -173.6 | 35.3 | 0 | 0 | 111.1 | Y366 P367 L371 R372 | Y366-Q369 PolarHBondContact O-N 3.13Å; P367-Q369 VanDerWaalsContact C-N 3.32Å; Q369-L371 PolarHBondContact O-N 2.88Å; Q369-R372 HydrophobicContact CB-CB 3.79Å; Q369-R372 WeakPolarHBondContact O-CB 3.49Å; Q369-R372 PolarHBondContact O-N 3.37Å | ||
| 370 | S | 86.8 | Confident | 91 | Very high | 99 Ų | 99 | 61.8 Ų | 61.8 | 69% | 0.692 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.1 | -25.2 | -175.7 | 62.1 | 0 | 0 | 0 | 0 | 115.2 | ||
| 371 | L | 89.7 | Confident | 91.2 | Very high | 87 Ų | 87 | 61.6 Ų | 61.6 | 46% | 0.455 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -6.5 | 176.9 | -63.3 | 179.4 | 0 | 0 | 0 | 113.7 | L120 Q369 H374 M375 | L120-L371 HydrophobicContact CD1-CD1 4.44Å; Q369-L371 PolarHBondContact O-N 2.88Å; L371-H374 WeakPolarHBondContact O-CB 3.38Å; L371-H374 PolarHBondContact O-N 3.04Å; L371-M375 PolarHBondContact O-N 2.92Å |
| 372 | R | 92.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 60.8 Ų | 60.8 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -54.5 | -46.9 | -176.6 | -176.1 | 165.9 | -179.9 | 98.7 | 6.4 | 114 | L328 Q329 E334 E362 Q369 H374 M375 L376 | L328-R372 PolarHBondContact O-NH1 3.09Å; L328-R372 PolarHBondContact O-NH2 2.58Å; L328-R372 VanDerWaalsContact O-NH2 3.12Å; Q329-R372 PolarHBondContact O-NH2 3.32Å; E334-R372 VanDerWaalsContact CD-NH2 3.27Å; E334-R372 IonicContact OE1-CZ 3.96Å; E334-R372 IonicContact OE1-NE 3.55Å; E334-R372 PolarHBondContact OE1-NE 2.89Å; E334-R372 IonicContact OE1-NH2 3.37Å; E334-R372 PolarHBondContact OE1-NH2 2.93Å; E334-R372 IonicContact OE2-CZ 3.55Å; E334-R372 IonicContact OE2-NE 2.7Å; E334-R372 IonicContact OE2-NH2 3.99Å; E334-R372 PolarHBondContact OE2-NH2 3.01Å; E362-R372 WeakPolarHBondContact OE2-CD 3.45Å; E362-R372 WeakPolarHBondContact OE2-CG 3.47Å; E362-R372 IonicContact OE2-NE 3.46Å; E362-R372 PolarHBondContact OE2-NE 3.2Å; Q369-R372 HydrophobicContact CB-CB 3.79Å; Q369-R372 WeakPolarHBondContact O-CB 3.49Å; Q369-R372 PolarHBondContact O-N 3.37Å; R372-H374 VanDerWaalsContact C-N 3.27Å; R372-H374 PolarHBondContact O-N 3.26Å; R372-M375 WeakPolarHBondContact O-CB 3.48Å; R372-M375 PolarHBondContact O-N 3.42Å; R372-M375 VanDerWaalsContact O-N 3.11Å; R372-L376 HydrophobicContact CG-CD1 3.97Å; R372-L376 HydrophobicContact CG-CG 4.46Å; R372-L376 WeakPolarHBondContact O-CG 3.36Å; R372-L376 PolarHBondContact O-N 2.94Å |
| 373 | P | 91 | Very high | 91.6 | Very high | 13 Ų | 13 | 60.6 Ų | 60.6 | 8% | 0.084 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -56.9 | -40.9 | 174.7 | -11.6 | 13.2 | 0 | 0 | 0 | 112.9 | M358 E362 M375 L376 F377 | M358-P373 HydrophobicContact CE-CB 4.33Å; E362-P373 HydrophobicContact CB-CG 3.95Å; E362-P373 HydrophobicContact CG-CB 4.39Å; E362-P373 HydrophobicContact CG-CG 3.79Å; P373-M375 VanDerWaalsContact C-N 3.34Å; P373-M375 PolarHBondContact O-N 3.38Å; P373-L376 PolarHBondContact O-N 3.41Å; P373-F377 HydrophobicContact CB-CD2 4.46Å; P373-F377 HydrophobicContact CB-CE2 3.9Å; P373-F377 HydrophobicContact CB-CZ 4.29Å; P373-F377 WeakPolarHBondContact O-CD2 3.41Å; P373-F377 WeakPolarHBondContact O-CG 3.44Å; P373-F377 PolarHBondContact O-N 2.9Å |
| 374 | H | 91.1 | Very high | 91.8 | Very high | 127 Ų | 127 | 60.3 Ų | 60.3 | 59% | 0.588 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -65.6 | -38.3 | 179.5 | -62.3 | 92 | 0 | 0 | 0 | 112 | L371 R372 G378 | L371-H374 WeakPolarHBondContact O-CB 3.38Å; L371-H374 PolarHBondContact O-N 3.04Å; R372-H374 VanDerWaalsContact C-N 3.27Å; R372-H374 PolarHBondContact O-N 3.26Å; H374-G378 PolarHBondContact O-N 3.49Å |
| 375 | M | 93.3 | Very high | 91.9 | Very high | 44 Ų | 44 | 59 Ų | 59 | 22% | 0.217 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 174.7 | -65 | -60.6 | -71.5 | 0 | 0 | 110.9 | F114 L328 L371 R372 P373 G378 L379 | F114-M375 HydrophobicContact CE1-CE 4.28Å; F114-M375 HydrophobicContact CE2-CE 4.17Å; F114-M375 HydrophobicContact CE2-SD 4.08Å; F114-M375 HydrophobicContact CZ-CE 3.79Å; F114-M375 VanDerWaalsContact CZ-O 3.28Å; F114-M375 WeakPolarHBondContact CZ-O 3.38Å; F114-M375 HydrophobicContact CZ-SD 4.22Å; L328-M375 HydrophobicContact CD1-CB 3.92Å; L371-M375 PolarHBondContact O-N 2.92Å; R372-M375 WeakPolarHBondContact O-CB 3.48Å; R372-M375 PolarHBondContact O-N 3.42Å; R372-M375 VanDerWaalsContact O-N 3.11Å; P373-M375 VanDerWaalsContact C-N 3.34Å; P373-M375 PolarHBondContact O-N 3.38Å; M375-G378 PolarHBondContact O-N 3.04Å; M375-L379 WeakPolarHBondContact O-CG 3.21Å; M375-L379 PolarHBondContact O-N 3.4Å |
| 376 | L | 95 | Very high | 92.2 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -65.3 | -44 | 179 | -65.8 | 167.7 | 0 | 0 | 0 | 112.3 | L328 V330 E334 M358 R372 P373 G378 L379 Q380 | L328-L376 HydrophobicContact CD1-CD2 4.49Å; V330-L376 HydrophobicContact CB-CD2 4.39Å; V330-L376 HydrophobicContact CG1-CD2 4.01Å; V330-L376 HydrophobicContact CG2-CD2 3.42Å; V330-L376 VanDerWaalsContact CG2-CD2 3.42Å; E334-L376 HydrophobicContact CB-CD1 4.48Å; E334-L376 HydrophobicContact CG-CD1 4.21Å; E334-L376 WeakPolarHBondContact OE1-CD1 3.29Å; M358-L376 HydrophobicContact CE-CB 3.59Å; M358-L376 HydrophobicContact CE-CD1 3.45Å; M358-L376 VanDerWaalsContact CE-CD1 3.45Å; M358-L376 HydrophobicContact CE-CG 4.17Å; R372-L376 HydrophobicContact CG-CD1 3.97Å; R372-L376 HydrophobicContact CG-CG 4.46Å; R372-L376 WeakPolarHBondContact O-CG 3.36Å; R372-L376 PolarHBondContact O-N 2.94Å; P373-L376 PolarHBondContact O-N 3.41Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 2.98Å; L376-L379 WeakPolarHBondContact O-CB 3.41Å; L376-L379 PolarHBondContact O-N 3.09Å; L376-Q380 PolarHBondContact O-N 3.17Å |
| 377 | F | 94 | Very high | 92.3 | Very high | 52 Ų | 52 | 53.8 Ų | 53.8 | 23% | 0.228 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -34 | 174.4 | -59.2 | -33.8 | 0 | 0 | 0 | 112 | M341 R355 M358 P373 Q380 A381 | M341-F377 HydrophobicContact CE-CD1 4.1Å; M341-F377 HydrophobicContact CE-CE1 3.65Å; M341-F377 HydrophobicContact SD-CD1 4.2Å; M341-F377 HydrophobicContact SD-CE1 3.78Å; R355-F377 HydrophobicContact CB-CZ 4.13Å; R355-F377 HydrophobicContact CG-CE1 4.11Å; R355-F377 HydrophobicContact CG-CZ 4.12Å; M358-F377 HydrophobicContact CE-CD1 3.98Å; M358-F377 HydrophobicContact CE-CE1 3.39Å; M358-F377 HydrophobicContact CE-CZ 3.77Å; M358-F377 HydrophobicContact SD-CE1 3.7Å; M358-F377 HydrophobicContact SD-CZ 4.3Å; P373-F377 HydrophobicContact CB-CD2 4.46Å; P373-F377 HydrophobicContact CB-CE2 3.9Å; P373-F377 HydrophobicContact CB-CZ 4.29Å; P373-F377 WeakPolarHBondContact O-CD2 3.41Å; P373-F377 WeakPolarHBondContact O-CG 3.44Å; P373-F377 PolarHBondContact O-N 2.9Å; F377-Q380 PolarHBondContact O-N 2.81Å; F377-A381 PolarHBondContact O-N 2.83Å |
| 378 | G | 92.6 | Very high | 92.5 | Very high | 19 Ų | 19 | 52.5 Ų | 52.5 | 20% | 0.196 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | H374 M375 L376 A381 L382 | H374-G378 PolarHBondContact O-N 3.49Å; M375-G378 PolarHBondContact O-N 3.04Å; L376-G378 VanDerWaalsContact C-N 3.29Å; L376-G378 PolarHBondContact O-N 2.98Å; G378-A381 PolarHBondContact O-N 2.93Å; G378-L382 WeakPolarHBondContact O-CG 3.5Å; G378-L382 PolarHBondContact O-N 2.93Å; G378-L382 VanDerWaalsContact O-N 3.13Å |
| 379 | L | 94.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -61.3 | -43.7 | 173.4 | -72.8 | 176.9 | 0 | 0 | 0 | 112.1 | F114 V321 K324 F325 L328 M375 L376 A381 L382 V383 | F114-L379 HydrophobicContact CD1-CD2 4.47Å; F114-L379 HydrophobicContact CE1-CD2 3.52Å; F114-L379 HydrophobicContact CE1-CG 3.87Å; F114-L379 HydrophobicContact CZ-CD2 4.05Å; F114-L379 HydrophobicContact CZ-CG 3.87Å; V321-L379 HydrophobicContact CG1-CD2 4.39Å; K324-L379 HydrophobicContact CB-CD1 4.41Å; K324-L379 HydrophobicContact CB-CD2 3.77Å; K324-L379 HydrophobicContact CG-CD1 4.13Å; K324-L379 HydrophobicContact CG-CD2 3.76Å; K324-L379 HydrophobicContact CG-CG 4.36Å; F325-L379 HydrophobicContact CD1-CD1 3.82Å; F325-L379 HydrophobicContact CD2-CD1 4.3Å; F325-L379 HydrophobicContact CE1-CB 4.15Å; F325-L379 HydrophobicContact CE1-CD1 3.83Å; F325-L379 HydrophobicContact CE2-CB 4.09Å; F325-L379 HydrophobicContact CE2-CD1 4.34Å; F325-L379 HydrophobicContact CG-CD1 4.03Å; F325-L379 HydrophobicContact CZ-CB 3.71Å; F325-L379 HydrophobicContact CZ-CD1 4.1Å; F325-L379 HydrophobicContact CZ-CG 4.49Å; L328-L379 HydrophobicContact CD1-CD1 3.72Å; M375-L379 WeakPolarHBondContact O-CG 3.21Å; M375-L379 PolarHBondContact O-N 3.4Å; L376-L379 WeakPolarHBondContact O-CB 3.41Å; L376-L379 PolarHBondContact O-N 3.09Å; L379-A381 VanDerWaalsContact C-N 3.28Å; L379-A381 PolarHBondContact O-N 3.47Å; L379-L382 HydrophobicContact CD2-CD1 4.46Å; L379-L382 WeakPolarHBondContact O-CB 3.29Å; L379-L382 PolarHBondContact O-N 3.13Å; L379-V383 WeakPolarHBondContact O-CG2 3.03Å; L379-V383 PolarHBondContact O-N 3.48Å |
| 380 | Q | 94.3 | Very high | 93 | Very high | 20 Ų | 20 | 39.3 Ų | 39.3 | 9% | 0.093 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -58.7 | -41.5 | 176.3 | -166.2 | -176.7 | -8.6 | 0 | 0 | 111.9 | L338 M341 L376 F377 L382 V383 R384 | L338-Q380 HydrophobicContact CD2-CB 3.89Å; L338-Q380 HydrophobicContact CD2-CG 4.1Å; M341-Q380 VanDerWaalsContact CB-NE2 3.31Å; L376-Q380 PolarHBondContact O-N 3.17Å; F377-Q380 PolarHBondContact O-N 2.81Å; Q380-L382 VanDerWaalsContact C-N 3.28Å; Q380-L382 PolarHBondContact O-N 3.31Å; Q380-V383 PolarHBondContact O-N 2.73Å; Q380-R384 PolarHBondContact O-N 2.98Å |
| 381 | A | 92.7 | Very high | 93.3 | Very high | 34 Ų | 34 | 34.6 Ų | 34.6 | 28% | 0.281 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -64.9 | -33 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | F377 G378 L379 N385 | F377-A381 PolarHBondContact O-N 2.83Å; G378-A381 PolarHBondContact O-N 2.93Å; L379-A381 VanDerWaalsContact C-N 3.28Å; L379-A381 PolarHBondContact O-N 3.47Å; A381-N385 PolarHBondContact O-ND2 3.31Å; A381-N385 VanDerWaalsContact O-ND2 3.08Å |
| 382 | L | 93.3 | Very high | 93.5 | Very high | 7 Ų | 7 | 32.3 Ų | 32.3 | 4% | 0.037 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -71.2 | -43.4 | 173.6 | -66.4 | 171.9 | 0 | 0 | 0 | 111.7 | M111 F114 F115 V321 G378 L379 Q380 R384 N385 I386 | M111-L382 HydrophobicContact SD-CD1 3.66Å; M111-L382 HydrophobicContact SD-CD2 3.74Å; M111-L382 HydrophobicContact SD-CG 4.28Å; F114-L382 HydrophobicContact CD1-CD1 3.83Å; F114-L382 HydrophobicContact CE1-CD1 4.27Å; F114-L382 HydrophobicContact CG-CD1 4.23Å; F115-L382 HydrophobicContact CE2-CD1 3.78Å; V321-L382 HydrophobicContact CG2-CB 3.73Å; V321-L382 HydrophobicContact CG2-CD1 4.09Å; G378-L382 WeakPolarHBondContact O-CG 3.5Å; G378-L382 PolarHBondContact O-N 2.93Å; G378-L382 VanDerWaalsContact O-N 3.13Å; L379-L382 HydrophobicContact CD2-CD1 4.46Å; L379-L382 WeakPolarHBondContact O-CB 3.29Å; L379-L382 PolarHBondContact O-N 3.13Å; Q380-L382 VanDerWaalsContact C-N 3.28Å; Q380-L382 PolarHBondContact O-N 3.31Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 3.18Å; L382-N385 PolarHBondContact O-N 3.13Å; L382-I386 PolarHBondContact O-N 3.12Å |
| 383 | V | 95.1 | Very high | 93.5 | Very high | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.006 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.2 | -46.3 | 174.1 | 170.3 | 0 | 0 | 0 | 0 | 110.8 | E286 I289 L290 V321 F325 L379 Q380 N385 I386 | E286-V383 HydrophobicContact CB-CG1 4.07Å; E286-V383 HydrophobicContact CG-CG1 4.3Å; I289-V383 HydrophobicContact CB-CG1 3.99Å; I289-V383 HydrophobicContact CD1-CG1 4.31Å; I289-V383 HydrophobicContact CG2-CB 4.48Å; I289-V383 HydrophobicContact CG2-CG1 3.85Å; I289-V383 HydrophobicContact CG2-CG2 3.93Å; L290-V383 HydrophobicContact CD2-CG2 4.48Å; V321-V383 HydrophobicContact CG1-CG2 3.73Å; F325-V383 HydrophobicContact CE2-CG2 3.87Å; F325-V383 HydrophobicContact CZ-CG2 4.31Å; L379-V383 WeakPolarHBondContact O-CG2 3.03Å; L379-V383 PolarHBondContact O-N 3.48Å; Q380-V383 PolarHBondContact O-N 2.73Å; V383-N385 PolarHBondContact O-N 3.46Å; V383-N385 VanDerWaalsContact O-N 3.13Å; V383-I386 PolarHBondContact O-N 3.04Å; V383-I386 VanDerWaalsContact O-N 3.07Å |
| 384 | R | 94.1 | Very high | 93.5 | Very high | 130 Ų | 130 | 34.3 Ų | 34.3 | 49% | 0.491 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.3 | -24.2 | 177.9 | -174.5 | 179.6 | 64.5 | -157.3 | -6.2 | 114.2 | Q380 L382 | Q380-R384 PolarHBondContact O-N 2.98Å; L382-R384 VanDerWaalsContact C-N 3.29Å; L382-R384 PolarHBondContact O-N 3.18Å |
| 385 | N | 92.2 | Very high | 93.6 | Very high | 64 Ų | 64 | 28.4 Ų | 28.4 | 34% | 0.342 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -7 | -179.5 | -64.9 | -39.4 | 0 | 0 | 0 | 113.6 | L107 A381 L382 V383 | L107-N385 HydrophobicContact CD1-CB 3.22Å; L107-N385 HydrophobicContact CG-CB 4.43Å; A381-N385 PolarHBondContact O-ND2 3.31Å; A381-N385 VanDerWaalsContact O-ND2 3.08Å; L382-N385 PolarHBondContact O-N 3.13Å; V383-N385 PolarHBondContact O-N 3.46Å; V383-N385 VanDerWaalsContact O-N 3.13Å |
| 386 | I | 93.8 | Very high | 93.5 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.147 | C | C | . | . | S | Bend | trans | -79.6 | 126.3 | 175.5 | -62.5 | 170.6 | 0 | 0 | 0 | 107.8 | H285 I289 E314 V317 L318 L382 V383 L390 | H285-I386 PolarHBondContact CD2-O 3.31Å; H285-I386 PolarHBondContact NE2-O 3.43Å; I289-I386 HydrophobicContact CD1-CB 3.89Å; I289-I386 HydrophobicContact CD1-CD1 4.24Å; I289-I386 HydrophobicContact CD1-CG2 3.75Å; E314-I386 HydrophobicContact CG-CG2 4.37Å; V317-I386 HydrophobicContact CG1-CG1 4.4Å; L318-I386 HydrophobicContact CB-CD1 3.97Å; L318-I386 HydrophobicContact CD1-CD1 3.75Å; L318-I386 HydrophobicContact CG-CD1 4.44Å; L382-I386 PolarHBondContact O-N 3.12Å; V383-I386 PolarHBondContact O-N 3.04Å; V383-I386 VanDerWaalsContact O-N 3.07Å; I386-L390 HydrophobicContact CG2-CD2 4.02Å |
| 387 | S | 93.6 | Very high | 93.3 | Very high | 40 Ų | 40 | 29.7 Ų | 29.7 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | trans | -68.5 | 143.2 | -177.2 | 76.9 | 0 | 0 | 0 | 0 | 112.1 | E314 A389 L390 | E314-S387 VanDerWaalsContact CD-OG 3.31Å; E314-S387 VanDerWaalsContact OE1-CB 3.25Å; E314-S387 WeakPolarHBondContact OE1-CB 3.41Å; E314-S387 PolarHBondContact OE1-N 3.13Å; E314-S387 PolarHBondContact OE1-OG 2.75Å; E314-S387 PolarHBondContact OE2-OG 3.27Å; S387-A389 PolarHBondContact O-N 3.06Å; S387-L390 PolarHBondContact O-N 2.78Å; S387-L390 PolarHBondContact OG-N 3.41Å; S387-L390 VanDerWaalsContact OG-N 3.16Å | ||
| 388 | S | 94.7 | Very high | 92.9 | Very high | 40 Ų | 40 | 31.1 Ų | 31.1 | 28% | 0.28 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -60.3 | -33.6 | 169.2 | 62.6 | 0 | 0 | 0 | 0 | 111.7 | L390 I391 E392 | S388-L390 VanDerWaalsContact C-N 3.31Å; S388-L390 PolarHBondContact O-N 3.25Å; S388-I391 PolarHBondContact O-N 2.88Å; S388-I391 VanDerWaalsContact O-N 3.16Å; S388-E392 WeakPolarHBondContact O-CG 3.21Å; S388-E392 PolarHBondContact O-N 3.47Å |
| 389 | A | 92.7 | Very high | 92.6 | Very high | 39 Ų | 39 | 34.9 Ų | 34.9 | 32% | 0.322 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.2 | -39.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S387 E392 Q393 | S387-A389 PolarHBondContact O-N 3.06Å; A389-E392 PolarHBondContact O-N 3.4Å; A389-Q393 WeakPolarHBondContact O-CG 3.31Å; A389-Q393 PolarHBondContact O-N 3.24Å |
| 390 | L | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.5 | -49.8 | 174.6 | 174.7 | 67.2 | 0 | 0 | 0 | 111.3 | L307 E311 E314 W315 L318 I386 S387 S388 E392 Q393 L394 | L307-L390 HydrophobicContact CD1-CD1 4.35Å; L307-L390 HydrophobicContact CD2-CD1 4.25Å; E311-L390 HydrophobicContact CB-CD1 4.08Å; E311-L390 WeakPolarHBondContact O-CD1 3.48Å; E314-L390 HydrophobicContact CB-CD2 3.93Å; E314-L390 HydrophobicContact CG-CD2 3.72Å; E314-L390 WeakPolarHBondContact OE2-CB 3.48Å; W315-L390 HydrophobicContact CB-CD1 4.35Å; L318-L390 HydrophobicContact CD2-CD2 4.31Å; I386-L390 HydrophobicContact CG2-CD2 4.02Å; S387-L390 PolarHBondContact O-N 2.78Å; S387-L390 PolarHBondContact OG-N 3.41Å; S387-L390 VanDerWaalsContact OG-N 3.16Å; S388-L390 VanDerWaalsContact C-N 3.31Å; S388-L390 PolarHBondContact O-N 3.25Å; L390-E392 VanDerWaalsContact C-N 3.27Å; L390-E392 PolarHBondContact O-N 3.28Å; L390-Q393 PolarHBondContact O-N 2.91Å; L390-L394 VanDerWaalsContact O-CB 3.24Å; L390-L394 WeakPolarHBondContact O-CB 3.4Å; L390-L394 PolarHBondContact O-N 3.31Å |
| 391 | I | 94.4 | Very high | 91.8 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -41.2 | -179.2 | -55.7 | -56.8 | 0 | 0 | 0 | 110.5 | W284 F288 I289 F298 L318 S388 L394 L395 F396 | W284-I391 HydrophobicContact CH2-CB 4.11Å; W284-I391 HydrophobicContact CH2-CG2 3.82Å; W284-I391 HydrophobicContact CZ3-CG2 4Å; F288-I391 HydrophobicContact CD1-CG2 3.63Å; F288-I391 HydrophobicContact CE1-CG2 3.64Å; I289-I391 HydrophobicContact CD1-CD1 4.05Å; I289-I391 HydrophobicContact CD1-CG1 4.21Å; I289-I391 HydrophobicContact CG1-CD1 3.86Å; I289-I391 HydrophobicContact CG1-CG1 4.27Å; F298-I391 HydrophobicContact CZ-CD1 4.3Å; L318-I391 HydrophobicContact CD2-CD1 3.71Å; S388-I391 PolarHBondContact O-N 2.88Å; S388-I391 VanDerWaalsContact O-N 3.16Å; I391-L394 PolarHBondContact O-N 3.12Å; I391-L395 HydrophobicContact CG2-CD1 4.21Å; I391-L395 PolarHBondContact O-N 3.01Å; I391-L395 VanDerWaalsContact O-N 3.08Å; I391-F396 HydrophobicContact CG2-CD2 4.36Å; I391-F396 HydrophobicContact CG2-CE2 4.04Å |
| 392 | E | 94 | Very high | 91.4 | Very high | 39 Ų | 39 | 44.1 Ų | 44.1 | 18% | 0.182 | 24% | 0.237 | C | C | . | . | I | π-helix | trans | -60.5 | -52.3 | 174.6 | -70.8 | 179 | -168 | 0 | 0 | 112 | W284 S388 A389 L390 L394 F396 K397 M405 | W284-E392 HydrophobicContact CH2-CG 4.14Å; W284-E392 HydrophobicContact CZ2-CG 3.94Å; S388-E392 WeakPolarHBondContact O-CG 3.21Å; S388-E392 PolarHBondContact O-N 3.47Å; A389-E392 PolarHBondContact O-N 3.4Å; L390-E392 VanDerWaalsContact C-N 3.27Å; L390-E392 PolarHBondContact O-N 3.28Å; E392-L394 VanDerWaalsContact C-N 3.28Å; E392-L394 PolarHBondContact O-N 3.02Å; E392-F396 CarbonylContact O-C 3.44Å; E392-F396 PolarHBondContact O-N 2.85Å; E392-K397 WeakPolarHBondContact O-CB 3.24Å; E392-K397 PolarHBondContact O-N 3.37Å; E392-M405 HydrophobicContact CG-CB 4.17Å; E392-M405 HydrophobicContact CG-CG 3.53Å; E392-M405 WeakPolarHBondContact OE1-CB 3.4Å; E392-M405 PolarHBondContact OE1-N 2.84Å |
| 393 | Q | 92.1 | Very high | 91.1 | Very high | 54 Ų | 54 | 47.1 Ų | 47.1 | 25% | 0.252 | 26% | 0.256 | S | S | . | . | I | π-helix | trans | -58.2 | -42.1 | 178.1 | -67.3 | -45.4 | -57.7 | 0 | 0 | 111.8 | L307 A389 L390 K397 | L307-Q393 HydrophobicContact CD2-CB 4.08Å; A389-Q393 WeakPolarHBondContact O-CG 3.31Å; A389-Q393 PolarHBondContact O-N 3.24Å; L390-Q393 PolarHBondContact O-N 2.91Å; Q393-K397 VanDerWaalsContact CD-CD 3.5Å; Q393-K397 VanDerWaalsContact OE1-NZ 3.1Å |
| 394 | L | 92 | Very high | 90.9 | Very high | 9 Ų | 9 | 50 Ų | 50 | 5% | 0.047 | 27% | 0.274 | C | S | . | . | I | π-helix | trans | -73.7 | -37.4 | -171.3 | -163.7 | 66.6 | 0 | 0 | 0 | 113.3 | F298 P302 I304 L307 W315 L390 I391 E392 | F298-L394 HydrophobicContact CD1-CD2 4.42Å; F298-L394 HydrophobicContact CE1-CD2 3.81Å; P302-L394 HydrophobicContact CB-CD1 3.88Å; P302-L394 HydrophobicContact CB-CD2 4.46Å; P302-L394 HydrophobicContact CB-CG 3.89Å; P302-L394 HydrophobicContact CG-CD1 3.55Å; P302-L394 HydrophobicContact CG-CD2 3.66Å; P302-L394 HydrophobicContact CG-CG 3.58Å; I304-L394 HydrophobicContact CG2-CD1 4.3Å; L307-L394 HydrophobicContact CD1-CD1 4.1Å; L307-L394 HydrophobicContact CD2-CD1 4.42Å; W315-L394 HydrophobicContact CE3-CD2 3.56Å; W315-L394 HydrophobicContact CH2-CD2 4.37Å; W315-L394 HydrophobicContact CZ3-CD2 3.5Å; W315-L394 VanDerWaalsContact CZ3-CD2 3.5Å; L390-L394 VanDerWaalsContact O-CB 3.24Å; L390-L394 WeakPolarHBondContact O-CB 3.4Å; L390-L394 PolarHBondContact O-N 3.31Å; I391-L394 PolarHBondContact O-N 3.12Å; E392-L394 VanDerWaalsContact C-N 3.28Å; E392-L394 PolarHBondContact O-N 3.02Å |
| 395 | L | 92.1 | Very high | 90.8 | Very high | 2 Ų | 2 | 43.9 Ų | 43.9 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | I | π-helix | trans | -121.1 | -34.6 | -166.7 | -61.6 | 176.9 | 0 | 0 | 0 | 114.1 | I247 A251 F288 L297 F298 I391 | I247-L395 HydrophobicContact CD1-CD2 4.32Å; I247-L395 HydrophobicContact CG1-CD2 4.08Å; A251-L395 HydrophobicContact CB-CB 4.22Å; A251-L395 HydrophobicContact CB-CD1 3.89Å; A251-L395 HydrophobicContact CB-CD2 4.28Å; A251-L395 HydrophobicContact CB-CG 4.36Å; F288-L395 HydrophobicContact CE1-CD1 3.53Å; F288-L395 HydrophobicContact CZ-CD1 3.64Å; L297-L395 HydrophobicContact CD2-CD1 3.93Å; F298-L395 HydrophobicContact CE1-CD1 3.93Å; F298-L395 HydrophobicContact CE1-CD2 4.33Å; F298-L395 HydrophobicContact CE1-CG 4.43Å; F298-L395 HydrophobicContact CZ-CD1 3.95Å; I391-L395 HydrophobicContact CG2-CD1 4.21Å; I391-L395 PolarHBondContact O-N 3.01Å; I391-L395 VanDerWaalsContact O-N 3.08Å |
| 396 | F | 91.9 | Very high | 90.8 | Very high | 7 Ų | 7 | 43 Ų | 43 | 3% | 0.031 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -118.9 | -27.4 | -161.6 | -62.4 | -62.1 | 0 | 0 | 0 | 114.7 | A251 L255 W284 F288 I391 E392 D398 V399 I400 M405 | A251-F396 HydrophobicContact CB-CE1 4.01Å; A251-F396 HydrophobicContact CB-CZ 3.88Å; L255-F396 HydrophobicContact CB-CE1 4.36Å; L255-F396 HydrophobicContact CB-CZ 4.04Å; L255-F396 HydrophobicContact CD2-CD1 4.41Å; L255-F396 HydrophobicContact CD2-CE1 3.94Å; L255-F396 HydrophobicContact CD2-CZ 4.04Å; L255-F396 HydrophobicContact CG-CZ 4.45Å; W284-F396 HydrophobicContact CZ3-CE2 4.43Å; F288-F396 HydrophobicContact CE1-CE2 4.34Å; F288-F396 HydrophobicContact CE2-CE2 4.16Å; F288-F396 AromaticContact CE2-CZ 3.79Å; F288-F396 HydrophobicContact CE2-CZ 3.79Å; F288-F396 AromaticContact CZ-CE2 3.93Å; F288-F396 HydrophobicContact CZ-CE2 3.93Å; F288-F396 AromaticContact CZ-CZ 3.77Å; F288-F396 HydrophobicContact CZ-CZ 3.77Å; I391-F396 HydrophobicContact CG2-CD2 4.36Å; I391-F396 HydrophobicContact CG2-CE2 4.04Å; E392-F396 CarbonylContact O-C 3.44Å; E392-F396 PolarHBondContact O-N 2.85Å; F396-D398 VanDerWaalsContact C-N 3.33Å; F396-D398 PolarHBondContact O-N 3.16Å; F396-V399 PolarHBondContact O-N 3.46Å; F396-I400 HydrophobicContact CB-CD1 4.22Å; F396-I400 HydrophobicContact CD1-CD1 4.1Å; F396-I400 HydrophobicContact CG-CD1 4.48Å; F396-I400 PolarHBondContact O-N 3.37Å; F396-M405 HydrophobicContact CB-CE 3.93Å; F396-M405 HydrophobicContact CB-SD 4.04Å; F396-M405 HydrophobicContact CD2-CG 4.38Å; F396-M405 HydrophobicContact CD2-SD 4.23Å; F396-M405 HydrophobicContact CG-SD 4.03Å |
| 397 | K | 89.9 | Confident | 90.7 | Very high | 64 Ų | 64 | 50.6 Ų | 50.6 | 28% | 0.278 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.2 | -41.5 | -173.6 | -171.7 | 175.5 | -168.3 | -175.3 | 0 | 113.1 | E392 Q393 V399 G401 E402 | E392-K397 WeakPolarHBondContact O-CB 3.24Å; E392-K397 PolarHBondContact O-N 3.37Å; Q393-K397 VanDerWaalsContact CD-CD 3.5Å; Q393-K397 VanDerWaalsContact OE1-NZ 3.1Å; K397-V399 PolarHBondContact O-N 3.37Å; K397-G401 WeakPolarHBondContact O-CA 3.4Å; K397-G401 PolarHBondContact O-N 3.2Å; K397-E402 WeakPolarHBondContact CE-OE1 3.49Å; K397-E402 IonicContact NZ-OE1 2.63Å |
| 398 | D | 86.6 | Confident | 90.6 | Very high | 82 Ų | 82 | 51.1 Ų | 51.1 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -66.5 | -21.8 | 176.9 | -72.1 | -19.4 | 0 | 0 | 0 | 113.4 | K248 K306 F396 | K248-D398 IonicContact NZ-OD2 2.72Å; K248-D398 PolarHBondContact NZ-OD2 2.73Å; K306-D398 IonicContact NZ-OD1 2.7Å; K306-D398 PolarHBondContact NZ-OD1 3.13Å; K306-D398 IonicContact NZ-OD2 3.51Å; K306-D398 PolarHBondContact NZ-OD2 2.94Å; F396-D398 VanDerWaalsContact C-N 3.33Å; F396-D398 PolarHBondContact O-N 3.16Å |
| 399 | V | 85.8 | Confident | 90.5 | Very high | 99 Ų | 99 | 49.3 Ų | 49.3 | 60% | 0.6 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -99.7 | -42.5 | -173.4 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | K248 F396 K397 | K248-V399 HydrophobicContact CD-CG2 3.97Å; F396-V399 PolarHBondContact O-N 3.46Å; K397-V399 PolarHBondContact O-N 3.37Å |
| 400 | I | 84.8 | Confident | 90.5 | Very high | 57 Ų | 57 | 48.3 Ų | 48.3 | 29% | 0.292 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -106.8 | -15.8 | -171 | -58.7 | 171.7 | 0 | 0 | 0 | 111.5 | F396 V403 M405 L408 | F396-I400 HydrophobicContact CB-CD1 4.22Å; F396-I400 HydrophobicContact CD1-CD1 4.1Å; F396-I400 HydrophobicContact CG-CD1 4.48Å; F396-I400 PolarHBondContact O-N 3.37Å; I400-V403 HydrophobicContact CG2-CB 3.98Å; I400-V403 HydrophobicContact CG2-CG2 4.45Å; I400-M405 HydrophobicContact CB-CE 3.78Å; I400-M405 HydrophobicContact CD1-CE 3.46Å; I400-M405 VanDerWaalsContact CD1-CE 3.46Å; I400-M405 HydrophobicContact CD1-SD 3.86Å; I400-M405 HydrophobicContact CG1-CE 4.18Å; I400-M405 HydrophobicContact CG2-CE 3.65Å; I400-L408 HydrophobicContact CD1-CD2 3.86Å |
| 401 | G | 87.1 | Confident | 90.4 | Very high | 33 Ų | 33 | 52.2 Ų | 52.2 | 34% | 0.34 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.8 | -142.7 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | K397 V403 | K397-G401 WeakPolarHBondContact O-CA 3.4Å; K397-G401 PolarHBondContact O-N 3.2Å; G401-V403 VanDerWaalsContact C-N 3.29Å; G401-V403 PolarHBondContact O-N 3.14Å |
| 402 | E | 85.3 | Confident | 90.2 | Very high | 157 Ų | 157 | 54.8 Ų | 54.8 | 73% | 0.734 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | 12.4 | -174.7 | -62.3 | -65.3 | 155.1 | 0 | 0 | 113.6 | K397 | K397-E402 WeakPolarHBondContact CE-OE1 3.49Å; K397-E402 IonicContact NZ-OE1 2.63Å |
| 403 | V | 87.7 | Confident | 90.1 | Very high | 71 Ų | 71 | 53.6 Ų | 53.6 | 43% | 0.43 | 29% | 0.286 | S | S | . | . | trans | -75.7 | 123.7 | 177 | -176.9 | 0 | 0 | 0 | 0 | 109.3 | I400 G401 M405 | I400-V403 HydrophobicContact CG2-CB 3.98Å; I400-V403 HydrophobicContact CG2-CG2 4.45Å; G401-V403 VanDerWaalsContact C-N 3.29Å; G401-V403 PolarHBondContact O-N 3.14Å; V403-M405 WeakPolarHBondContact O-CE 3.28Å; V403-M405 PolarHBondContact O-N 3.44Å | ||
| 404 | P | 90.3 | Very high | 90.1 | Very high | 61 Ų | 61 | 54.6 Ų | 54.6 | 40% | 0.396 | 29% | 0.289 | S | S | . | . | trans | -67.7 | 130.2 | -178.9 | 27.3 | -34.2 | 0 | 0 | 0 | 110.8 | S406 R407 L408 | P404-S406 PolarHBondContact O-N 2.69Å; P404-R407 HydrophobicContact CG-CB 4.15Å; P404-R407 PolarHBondContact O-N 3.49Å; P404-R407 VanDerWaalsContact O-N 3.12Å; P404-L408 PolarHBondContact O-N 3.26Å | ||
| 405 | M | 91.5 | Very high | 89.9 | Confident | 2 Ų | 2 | 57.5 Ų | 57.5 | 1% | 0.01 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -62.5 | -29.6 | -179.4 | -69.8 | -62.1 | 116.3 | 0 | 0 | 112.1 | L255 W284 E392 F396 I400 V403 R407 L408 V409 | L255-M405 HydrophobicContact CD2-SD 4.05Å; W284-M405 HydrophobicContact CD2-CB 4.22Å; W284-M405 HydrophobicContact CH2-CB 3.73Å; W284-M405 HydrophobicContact CH2-CG 3.82Å; W284-M405 HydrophobicContact CZ2-CB 3.3Å; W284-M405 HydrophobicContact CZ2-CG 3.82Å; W284-M405 HydrophobicContact CZ3-CB 4.33Å; E392-M405 HydrophobicContact CG-CB 4.17Å; E392-M405 HydrophobicContact CG-CG 3.53Å; E392-M405 WeakPolarHBondContact OE1-CB 3.4Å; E392-M405 PolarHBondContact OE1-N 2.84Å; F396-M405 HydrophobicContact CB-CE 3.93Å; F396-M405 HydrophobicContact CB-SD 4.04Å; F396-M405 HydrophobicContact CD2-CG 4.38Å; F396-M405 HydrophobicContact CD2-SD 4.23Å; F396-M405 HydrophobicContact CG-SD 4.03Å; I400-M405 HydrophobicContact CB-CE 3.78Å; I400-M405 HydrophobicContact CD1-CE 3.46Å; I400-M405 VanDerWaalsContact CD1-CE 3.46Å; I400-M405 HydrophobicContact CD1-SD 3.86Å; I400-M405 HydrophobicContact CG1-CE 4.18Å; I400-M405 HydrophobicContact CG2-CE 3.65Å; V403-M405 WeakPolarHBondContact O-CE 3.28Å; V403-M405 PolarHBondContact O-N 3.44Å; M405-R407 PolarHBondContact O-N 3.07Å; M405-L408 HydrophobicContact CE-CD2 4.24Å; M405-L408 PolarHBondContact O-N 3.48Å; M405-L408 HydrophobicContact SD-CD2 3.95Å; M405-V409 WeakPolarHBondContact O-CB 3.37Å; M405-V409 VanDerWaalsContact O-CG2 3.26Å; M405-V409 WeakPolarHBondContact O-CG2 3.47Å; M405-V409 PolarHBondContact O-N 3.06Å |
| 406 | S | 92.7 | Very high | 89.1 | Confident | 44 Ų | 44 | 68 Ų | 68 | 31% | 0.308 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -54.9 | -38.6 | 176.2 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | G281 P404 C410 | G281-S406 WeakPolarHBondContact O-CB 3.34Å; P404-S406 PolarHBondContact O-N 2.69Å; S406-C410 PolarHBondContact O-SG 2.93Å; S406-C410 VanDerWaalsContact O-SG 3.37Å |
| 407 | R | 91.1 | Very high | 87.8 | Confident | 163 Ų | 163 | 73.2 Ų | 73.2 | 62% | 0.615 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -74.7 | -48.2 | 176 | -178.8 | 177.1 | 176.4 | 170.1 | 2.1 | 111 | P404 M405 V409 C410 D411 | P404-R407 HydrophobicContact CG-CB 4.15Å; P404-R407 PolarHBondContact O-N 3.49Å; P404-R407 VanDerWaalsContact O-N 3.12Å; M405-R407 PolarHBondContact O-N 3.07Å; R407-V409 VanDerWaalsContact C-N 3.3Å; R407-V409 PolarHBondContact O-N 2.87Å; R407-C410 PolarHBondContact O-N 2.89Å; R407-C410 VanDerWaalsContact O-N 3.14Å; R407-D411 WeakPolarHBondContact CG-OD2 3.37Å; R407-D411 IonicContact NE-OD2 3.3Å; R407-D411 PolarHBondContact O-N 2.77Å |
| 408 | L | 90.7 | Very high | 86.2 | Confident | 51 Ų | 51 | 75.8 Ų | 75.8 | 27% | 0.267 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -57.7 | -43.1 | -178.4 | -177.1 | 66.4 | 0 | 0 | 0 | 112.1 | L255 I400 P404 M405 C410 D411 V412 | L255-L408 HydrophobicContact CD2-CD2 4.41Å; I400-L408 HydrophobicContact CD1-CD2 3.86Å; P404-L408 PolarHBondContact O-N 3.26Å; M405-L408 HydrophobicContact CE-CD2 4.24Å; M405-L408 PolarHBondContact O-N 3.48Å; M405-L408 HydrophobicContact SD-CD2 3.95Å; L408-C410 VanDerWaalsContact C-N 3.35Å; L408-C410 PolarHBondContact O-N 3.49Å; L408-D411 PolarHBondContact O-N 3.47Å; L408-V412 HydrophobicContact CD1-CG2 4.27Å; L408-V412 HydrophobicContact CG-CG2 4.44Å; L408-V412 WeakPolarHBondContact O-CB 3.41Å; L408-V412 VanDerWaalsContact O-CG2 3.27Å; L408-V412 WeakPolarHBondContact O-CG2 3.3Å; L408-V412 PolarHBondContact O-N 3.45Å |
| 409 | V | 92.9 | Very high | 84.3 | Confident | 1 Ų | 1 | 77.5 Ų | 77.5 | 1% | 0.006 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -60.6 | -45 | 178 | 167.9 | 0 | 0 | 0 | 0 | 111 | L255 T259 L280 W284 M405 R407 Y413 | L255-V409 HydrophobicContact CD1-CG2 3.81Å; T259-V409 HydrophobicContact CG2-CB 4.21Å; T259-V409 HydrophobicContact CG2-CG1 3.88Å; T259-V409 HydrophobicContact CG2-CG2 4.27Å; L280-V409 HydrophobicContact CB-CG1 4.13Å; W284-V409 HydrophobicContact CB-CB 4.29Å; W284-V409 HydrophobicContact CB-CG1 3.91Å; W284-V409 HydrophobicContact CB-CG2 3.93Å; W284-V409 HydrophobicContact CD2-CG2 4.26Å; W284-V409 HydrophobicContact CE3-CG2 4.45Å; W284-V409 HydrophobicContact CG-CG2 4.04Å; M405-V409 WeakPolarHBondContact O-CB 3.37Å; M405-V409 VanDerWaalsContact O-CG2 3.26Å; M405-V409 WeakPolarHBondContact O-CG2 3.47Å; M405-V409 PolarHBondContact O-N 3.06Å; R407-V409 VanDerWaalsContact C-N 3.3Å; R407-V409 PolarHBondContact O-N 2.87Å; V409-Y413 VanDerWaalsContact O-CB 3.28Å; V409-Y413 WeakPolarHBondContact O-CB 3.29Å; V409-Y413 PolarHBondContact O-N 2.91Å |
| 410 | C | 93.4 | Very high | 82.5 | Confident | 18 Ų | 18 | 80.6 Ų | 80.6 | 12% | 0.122 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -64.7 | -47 | 176.3 | -69.6 | 0 | 0 | 0 | 0 | 111.4 | A277 S406 R407 L408 V412 Y413 F414 | A277-C410 PolarHBondContact O-SG 3.03Å; A277-C410 VanDerWaalsContact O-SG 3.36Å; S406-C410 PolarHBondContact O-SG 2.93Å; S406-C410 VanDerWaalsContact O-SG 3.37Å; R407-C410 PolarHBondContact O-N 2.89Å; R407-C410 VanDerWaalsContact O-N 3.14Å; L408-C410 VanDerWaalsContact C-N 3.35Å; L408-C410 PolarHBondContact O-N 3.49Å; C410-V412 VanDerWaalsContact C-N 3.33Å; C410-V412 PolarHBondContact O-N 2.99Å; C410-Y413 PolarHBondContact O-N 3.06Å; C410-Y413 VanDerWaalsContact O-N 3.13Å; C410-F414 HydrophobicContact CB-CD2 4.4Å; C410-F414 HydrophobicContact CB-CE2 4.47Å; C410-F414 WeakPolarHBondContact O-CD2 3.47Å; C410-F414 PolarHBondContact O-N 3.43Å |
| 411 | D | 92 | Very high | 80.6 | Confident | 83 Ų | 83 | 86.5 Ų | 86.5 | 44% | 0.444 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.7 | -45.7 | -179.5 | -69.4 | -12.2 | 0 | 0 | 0 | 110.7 | R407 L408 S415 | R407-D411 WeakPolarHBondContact CG-OD2 3.37Å; R407-D411 IonicContact NE-OD2 3.3Å; R407-D411 PolarHBondContact O-N 2.77Å; L408-D411 PolarHBondContact O-N 3.47Å; D411-S415 WeakPolarHBondContact O-CB 3.39Å; D411-S415 PolarHBondContact O-N 2.62Å; D411-S415 PolarHBondContact O-OG 2.97Å |
| 412 | V | 90.1 | Very high | 78.9 | Confident | 54 Ų | 54 | 88.8 Ų | 88.8 | 33% | 0.327 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.2 | -39.1 | 176.3 | 175.4 | 0 | 0 | 0 | 0 | 111.8 | T259 L408 C410 S415 | T259-V412 HydrophobicContact CG2-CB 4.08Å; T259-V412 HydrophobicContact CG2-CG1 4Å; T259-V412 WeakPolarHBondContact OG1-CG1 3.44Å; L408-V412 HydrophobicContact CD1-CG2 4.27Å; L408-V412 HydrophobicContact CG-CG2 4.44Å; L408-V412 WeakPolarHBondContact O-CB 3.41Å; L408-V412 VanDerWaalsContact O-CG2 3.27Å; L408-V412 WeakPolarHBondContact O-CG2 3.3Å; L408-V412 PolarHBondContact O-N 3.45Å; C410-V412 VanDerWaalsContact C-N 3.33Å; C410-V412 PolarHBondContact O-N 2.99Å; V412-S415 WeakPolarHBondContact O-CB 3.49Å; V412-S415 PolarHBondContact O-N 3.3Å |
| 413 | Y | 91.3 | Very high | 76.9 | Confident | 14 Ų | 14 | 85.5 Ų | 85.5 | 6% | 0.055 | 44% | 0.444 | C | S | . | . | H | α-helix | trans | -62.8 | -48.9 | 177.9 | -179.2 | -91.1 | 0 | 0 | 0 | 112 | T259 P262 K263 F268 Q276 L280 V409 C410 S415 | T259-Y413 WeakPolarHBondContact O-CD2 3.35Å; P262-Y413 HydrophobicContact CB-CE2 4.01Å; K263-Y413 HydrophobicContact CD-CE2 4.27Å; K263-Y413 WeakPolarHBondContact CE-O 3.46Å; K263-Y413 HydrophobicContact CG-CD2 4.08Å; K263-Y413 HydrophobicContact CG-CE2 3.35Å; K263-Y413 PolarHBondContact NZ-O 3.12Å; F268-Y413 HydrophobicContact CE1-CE2 4.11Å; F268-Y413 AromaticContact CE1-CZ 3.84Å; F268-Y413 WeakPolarHBondContact CE1-OH 3.43Å; Q276-Y413 PolarHBondContact OE1-OH 2.73Å; L280-Y413 HydrophobicContact CD1-CD1 3.78Å; L280-Y413 HydrophobicContact CD1-CD2 3.45Å; L280-Y413 VanDerWaalsContact CD1-CD2 3.45Å; L280-Y413 HydrophobicContact CD1-CE1 4.15Å; L280-Y413 HydrophobicContact CD1-CE2 3.89Å; L280-Y413 HydrophobicContact CD1-CG 3.42Å; L280-Y413 VanDerWaalsContact CD1-CG 3.42Å; V409-Y413 VanDerWaalsContact O-CB 3.28Å; V409-Y413 WeakPolarHBondContact O-CB 3.29Å; V409-Y413 PolarHBondContact O-N 2.91Å; C410-Y413 PolarHBondContact O-N 3.06Å; C410-Y413 VanDerWaalsContact O-N 3.13Å; Y413-S415 VanDerWaalsContact C-N 3.32Å |
| 414 | F | 92.1 | Very high | 74.8 | Confident | 74 Ų | 74 | 87.3 Ų | 87.3 | 33% | 0.325 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -84.7 | -4.8 | -178.7 | -65 | -69.9 | 0 | 0 | 0 | 113.7 | E273 Q276 A277 C410 R416 | E273-F414 HydrophobicContact CB-CE1 4.07Å; E273-F414 HydrophobicContact CB-CZ 4.44Å; E273-F414 HydrophobicContact CG-CE1 4.16Å; Q276-F414 HydrophobicContact CB-CZ 4.09Å; A277-F414 HydrophobicContact CB-CE2 3.66Å; A277-F414 HydrophobicContact CB-CZ 3.96Å; C410-F414 HydrophobicContact CB-CD2 4.4Å; C410-F414 HydrophobicContact CB-CE2 4.47Å; C410-F414 WeakPolarHBondContact O-CD2 3.47Å; C410-F414 PolarHBondContact O-N 3.43Å; F414-R416 PolarHBondContact O-N 3.41Å; F414-R416 VanDerWaalsContact O-N 3.13Å |
| 415 | S | 88.1 | Confident | 72.7 | Confident | 70 Ų | 70 | 87.3 Ų | 87.3 | 49% | 0.49 | 46% | 0.455 | S | S | . | . | P | Polyproline II helix | trans | -57.2 | 120.6 | 172.8 | -73 | 0 | 0 | 0 | 0 | 109.6 | D411 V412 Y413 | D411-S415 WeakPolarHBondContact O-CB 3.39Å; D411-S415 PolarHBondContact O-N 2.62Å; D411-S415 PolarHBondContact O-OG 2.97Å; V412-S415 WeakPolarHBondContact O-CB 3.49Å; V412-S415 PolarHBondContact O-N 3.3Å; Y413-S415 VanDerWaalsContact C-N 3.32Å |
| 416 | R | 75.2 | Confident | 70.5 | Confident | 223 Ų | 223 | 97 Ų | 97 | 84% | 0.842 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -69.8 | 144.8 | 168.1 | -64.7 | -177.3 | 179.8 | 179.1 | -0.3 | 108 | F414 V418 | F414-R416 PolarHBondContact O-N 3.41Å; F414-R416 VanDerWaalsContact O-N 3.13Å; R416-V418 PolarHBondContact O-N 3.06Å |
| 417 | P | 66.1 | Low | 68.3 | Low | 116 Ų | 116 | 99.9 Ų | 99.9 | 75% | 0.753 | 51% | 0.507 | S | S | * | . | P | Polyproline II helix | trans | -51 | 128.6 | 164 | -16.9 | 29 | 0 | 0 | 0 | 107.3 | D419 | P417-D419 PolarHBondContact O-N 2.85Š|
| 418 | V | 55.1 | Low | 66.2 | Low | 118 Ų | 118 | 99.3 Ų | 99.3 | 72% | 0.715 | 51% | 0.512 | S | S | * | . | trans | -59.9 | 115.8 | 170.3 | 178.5 | 0 | 0 | 0 | 0 | 105.6 | R416 E420 | R416-V418 PolarHBondContact O-N 3.06Å; V418-E420 VanDerWaalsContact C-N 3.34Å; V418-E420 PolarHBondContact O-N 3.18Å | ||
| 419 | D | 47.8 | Very low | 64.1 | Low | 118 Ų | 118 | 104.1 Ų | 104.1 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | trans | -58.6 | 101.8 | 170.2 | -76.9 | -48.4 | 0 | 0 | 0 | 107 | P417 K421 V422 | P417-D419 PolarHBondContact O-N 2.85Å; D419-K421 PolarHBondContact O-N 3.02Å; D419-V422 HydrophobicContact CB-CG2 4.17Å; D419-V422 PolarHBondContact O-N 2.84Å | ||
| 420 | E | 48.1 | Very low | 61.7 | Low | 164 Ų | 164 | 112.1 Ų | 112.1 | 77% | 0.766 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -53.5 | -17.5 | 174.6 | -83 | -180 | 152.1 | 0 | 0 | 111.9 | V418 V422 | V418-E420 VanDerWaalsContact C-N 3.34Å; V418-E420 PolarHBondContact O-N 3.18Å; E420-V422 VanDerWaalsContact C-N 3.34Å; E420-V422 PolarHBondContact O-N 3.48Å |
| 421 | K | 44.9 | Very low | 60.1 | Low | 182 Ų | 182 | 116.9 Ų | 116.9 | 79% | 0.791 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -69.6 | -22 | 174.5 | -64.9 | -171.9 | 177.5 | -177.1 | 0 | 114.6 | D419 | D419-K421 PolarHBondContact O-N 3.02Å |
| 422 | V | 49.9 | Very low | 58.5 | Low | 81 Ų | 81 | 118.6 Ų | 118.6 | 49% | 0.491 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -89.6 | -24.3 | 179.9 | -178.4 | 0 | 0 | 0 | 0 | 112.1 | D419 E420 | D419-V422 HydrophobicContact CB-CG2 4.17Å; D419-V422 PolarHBondContact O-N 2.84Å; E420-V422 VanDerWaalsContact C-N 3.34Å; E420-V422 PolarHBondContact O-N 3.48Å |
| 423 | T | 44 | Very low | 56.7 | Low | 88 Ų | 88 | 122.2 Ų | 122.2 | 54% | 0.54 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -71.5 | -35.7 | 175.9 | -46.5 | 0 | 0 | 0 | 0 | 111.7 | R426 T427 | T423-R426 PolarHBondContact O-N 3.28Å; T423-T427 PolarHBondContact O-OG1 2.91Å |
| 424 | I | 44 | Very low | 54.7 | Low | 108 Ų | 108 | 128.6 Ų | 128.6 | 55% | 0.554 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -71.9 | -31.7 | 179 | -58 | 175.3 | 0 | 0 | 0 | 111.5 | R426 T427 | I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.37Å; I424-T427 PolarHBondContact O-N 3.28Å; I424-T427 PolarHBondContact O-OG1 3.27Å |
| 425 | A | 46.3 | Very low | 52.3 | Low | 62 Ų | 62 | 132 Ų | 132 | 51% | 0.512 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -71.7 | -19.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 426 | R | 44.8 | Very low | 49.9 | Very low | 205 Ų | 205 | 136.1 Ų | 136.1 | 77% | 0.774 | 71% | 0.714 | S | S | * | * | H | α-helix | trans | -94.6 | -9.7 | 178.5 | -75.2 | -172.7 | 175.6 | 174.8 | -0.4 | 114.6 | T423 I424 | T423-R426 PolarHBondContact O-N 3.28Å; I424-R426 VanDerWaalsContact C-N 3.29Å; I424-R426 PolarHBondContact O-N 3.37Å |
| 427 | T | 47.1 | Very low | 48.1 | Very low | 104 Ų | 104 | 129.9 Ų | 129.9 | 64% | 0.638 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -97.7 | 5.2 | 174.1 | 47 | 0 | 0 | 0 | 0 | 113.4 | T423 I424 | T423-T427 PolarHBondContact O-OG1 2.91Å; I424-T427 PolarHBondContact O-N 3.28Å; I424-T427 PolarHBondContact O-OG1 3.27Å |
| 428 | Q | 47.3 | Very low | 46.8 | Very low | 151 Ų | 151 | 131 Ų | 131 | 71% | 0.706 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -110.4 | -3.3 | 177.6 | -71.7 | -170.8 | -23.5 | 0 | 0 | 114.8 | ||
| 429 | D | 46.2 | Very low | 46.1 | Very low | 152 Ų | 152 | 132.1 Ų | 132.1 | 81% | 0.813 | 70% | 0.7 | S | S | * | * | trans | -114 | 37.2 | 175 | -76.2 | -21.6 | 0 | 0 | 0 | 112.5 | ||||
| 430 | S | 42.3 | Very low | 45.9 | Very low | 170 Ų | 170 | 133.4 Ų | 133.4 | 100% | 1.189 | 71% | 0.707 | S | S | * | * | trans | -141.9 | 0 | 167.8 | -56.8 | 0 | 0 | 0 | 0 | 108.9 |
Retrieved 430 of 430 residues in 491.2 ms
(Link to these results)